smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C(=O)O)C1 34758 YVZXXBUYNATFEK-VXGBXAGGSA-N 342.222 4.379 0 40 EIAB CC1(C)CC(=O)c2c(cc(N3CCOCC3)c3[nH]c4ccccc4c23)C1 168009 KUVWAUAYWBLDSL-UHFFFAOYSA-N 348.446 4.313 0 40 EIAB Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 411218 FQABKSSRXRPGDZ-UHFFFAOYSA-N 336.254 4.203 0 40 EIAB O=C(O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 892014 SCDKFKBFCFAWMO-UHFFFAOYSA-N 342.358 4.134 0 40 EIAB O=C(Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C1CCCCC1 1105762 OBMXZFXPUWSWCZ-UHFFFAOYSA-N 340.297 4.298 0 40 EIAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1OC 1388674 SJHVVKINRUBCBN-UHFFFAOYSA-N 331.224 4.093 0 40 EIAB CCN(CC)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1 1734033 ZASSLOPXOOJHFR-UHFFFAOYSA-N 345.870 4.054 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 3236273 UODQLHBYHSCQJA-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB O=C1c2ccccc2-c2nn(C(=O)Cc3ccccc3)c3cccc1c23 3646888 UNQCBTHROKFNIL-UHFFFAOYSA-N 338.366 4.131 0 40 EIAB Cc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1Cl 4105198 MFWDRSPGQCRPQM-UHFFFAOYSA-N 330.192 4.314 0 40 EIAB COc1ccc(-c2noc([C@@H](C)Oc3ccccc3C)n2)cc1OC 4385449 YJSVBSCPKREMLQ-CYBMUJFWSA-N 340.379 4.202 0 40 EIAB CCCCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887761 BRJVNUBYMFNZCA-CEWLAPEOSA-N 336.431 4.486 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccccc1F 5192825 LRFYRPVZPAESMB-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB Cc1cc2ccccc2n1CCNC(=O)Nc1c[nH]c2ccccc12 5265506 YPDFICJBQSUJNM-UHFFFAOYSA-N 332.407 4.253 0 40 EIAB COCc1c(C(=O)NCc2ccc(F)cc2)sc2cccc(F)c12 5405056 SAXIALLYPPAWMG-UHFFFAOYSA-N 347.386 4.256 0 40 EIAB COc1ccc(OC)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 6304859 FLLZSPSBZJYGRY-UHFFFAOYSA-N 349.814 4.153 0 40 EIAB COc1ccccc1NCC(=O)NC(c1ccccc1)c1ccccc1 6510062 MHZAEHHODNBJDM-UHFFFAOYSA-N 346.430 4.013 0 40 EIAB COc1ccc(-n2nnnc2SCc2ccc(C(C)C)cc2)cc1 6510181 ZOLVMRULRSRNBI-UHFFFAOYSA-N 340.452 4.087 0 40 EIAB CCN(CC)CCNc1nc(C23CC4CC(CC(C4)C2)C3)cs1 6538682 XXRROMUCCADTOR-UHFFFAOYSA-N 333.545 4.365 0 40 EIAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)NC3=O)c1 6753315 WMCRPUMBZWTVPG-SFHVURJKSA-N 347.418 4.042 0 40 EIAB O=C(Cc1c(Cl)cccc1Cl)NC1C2CC3CC(C2)CC1C3 7037132 PUDBJNPHBWNEJP-UHFFFAOYSA-N 338.278 4.477 0 40 EIAB O[C@@H](Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 7140979 BJVQUNDRPLKUEL-NRFANRHFSA-N 344.414 4.349 0 40 EIAB COc1ccc2nc(SCC(=O)c3cc(C)ccc3C)[nH]c2c1 7344162 NVVUVULDWLQYMN-UHFFFAOYSA-N 326.421 4.163 0 40 EIAB O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(F)cc2)n1 8330105 RGVKEGNTCWXGAD-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB COc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1 9414550 VHLDHMLXDNREJO-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(-n2ccnc2)cc1 9834747 LHWVLCBYPNXAKK-LBPRGKRZSA-N 343.789 4.156 0 40 EIAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(C)c1 9989604 KZAXPYFIVUMTKQ-ZHACJKMWSA-N 347.458 4.438 0 40 EIAB COc1cccc(-c2ccnc3[nH]n(-c4ccc(C)c(C)c4)c(=O)c23)c1 10157186 OHWKAEJCNYHPET-UHFFFAOYSA-N 345.402 4.006 0 40 EIAB CCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2C)c1 12138062 DBYCFJXZUZRQPW-UHFFFAOYSA-N 333.815 4.373 0 40 EIAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCc2ccccc21 12422186 HZXNVFXHSKKVJU-UHFFFAOYSA-N 338.794 4.127 0 40 EIAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 12619606 QHWDZYNNGPSNJY-UHFFFAOYSA-N 335.382 4.061 0 40 EIAB CC(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1 12762119 WEQGRQCKVCOGGW-UHFFFAOYSA-N 325.383 4.479 0 40 EIAB O=S(=O)(Nc1c(F)cccc1F)c1c(Cl)cccc1Cl 12898850 RWSJKVCXIMFFON-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1ccc([C@@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 12972688 DVWQMAUARDAUGQ-QGZVFWFLSA-N 335.436 4.004 0 40 EIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccccc1Cl 12989972 FALZLZMCTDAQIM-UHFFFAOYSA-N 344.798 4.167 0 40 EIAB CC(C)(C)SCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 14249696 MOUZPZYJKGUDQQ-UHFFFAOYSA-N 337.876 4.055 0 40 EIAB O[C@H](CN1CCCCC1)C12C[C@H]3C[C@H](CC(c4ccccc4)(C3)C1)C2 16807322 FAPURBNBNPMIEX-RFLLHJHLSA-N 339.523 4.371 0 40 EIAB COc1ccc(/C(Br)=C2/OC(=O)c3ccccc32)cc1 17224400 RNRMFMQECBCXRM-PFONDFGASA-N 331.165 4.086 0 40 EIAB Cc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCCCC1 21170737 AKXVUNGBBGWXAF-IBGZPJMESA-N 328.500 4.256 0 40 EIAB CCc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 24746300 SJTXPLYYVPRAPX-UHFFFAOYSA-N 348.402 4.454 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1 26783811 ZTOOXWXUHQJQJV-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)NC1CCCCC1 28231253 BXVOQZRGWAJXCV-UHFFFAOYSA-N 332.835 4.039 0 40 EIAB COCc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 29146765 ZTZHYOVBKUPVDT-UHFFFAOYSA-N 338.451 4.071 0 40 EIAB O=C(COc1ccccc1C(F)(F)F)Nc1nc(C2CC2)cs1 29685461 OQEOPFKTQPKYRH-UHFFFAOYSA-N 342.342 4.057 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(OC(C)C)cc2)cc1OC 30857120 TZYAYDFYWVBRMR-UHFFFAOYSA-N 343.423 4.062 0 40 EIAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCCc2ccccc21 32764933 QVIIFNOYXMDQEN-VXKWHMMOSA-N 348.490 4.060 0 40 EIAB Cc1ccc(-c2nnc(CCC(=O)N(C)[C@H](C)c3ccccc3)o2)cc1 32768976 VRCDFNGRJDLKAP-MRXNPFEDSA-N 349.434 4.197 0 40 EIAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1Cl 32930625 BSVRVHWKNJCUFF-UHFFFAOYSA-N 348.683 4.068 0 40 EIAB Cc1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 36385546 JRMVFTGZEWUNJF-HHXXYDBFSA-N 346.467 4.464 0 40 EIAB Cc1c(C(=O)N2CCCCC[C@@H]2c2ccncc2)cnn1C(C)(C)C 44525279 GNVOPIDCEDAQIZ-GOSISDBHSA-N 340.471 4.099 0 40 EIAB O=C(CSc1ccc(F)cc1)N1CCC(c2ccc(O)cc2)CC1 48333949 VSERNLKMOFSALP-UHFFFAOYSA-N 345.439 4.030 0 40 EIAB Cc1cc(NC(=O)N[C@H](C)c2ccccn2)ccc1Br 48333978 SRLNQIUAXSUZOV-LLVKDONJSA-N 334.217 4.035 0 40 EIAB C[C@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1Cl 48355088 SIJMDRHNXFIEQV-ZDUSSCGKSA-N 327.815 4.165 0 40 EIAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4F)C3)o2)cc1 49169911 UMYLFNADGMTBTN-KRWDZBQOSA-N 337.398 4.174 0 40 EIAB biogenic,in-vitro CCOCCCC(=O)Nc1cccc(Cl)c1Oc1cccnc1 56168099 QEIDTSJEHLWXLV-UHFFFAOYSA-N 334.803 4.283 0 40 EIAB CCc1ccc2c(CNc3ccc4oc(C)nc4c3)cc(=O)oc2c1 57157818 OLFUFGXLFQEVCW-UHFFFAOYSA-N 334.375 4.417 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1Cl 58414157 KWFPDEKLCKYJIC-ZDUSSCGKSA-N 338.860 4.167 0 40 EIAB Cc1csc(NC(=O)CN(C)C2CCC(c3ccccc3)CC2)n1 63563573 LIHATYPQYVSROF-UHFFFAOYSA-N 343.496 4.048 0 40 EIAB CCc1noc(CN(C)C(=O)Nc2ccccc2-c2cccs2)n1 69622754 APXKSUSFGFUWRA-UHFFFAOYSA-N 342.424 4.024 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](c2ccc(O)cc2)S1 71285304 RDFYHARMKXIUQK-HNNXBMFYSA-N 329.425 4.296 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72214752 NHTXZKJFSZAGEN-INIZCTEOSA-N 333.476 4.390 0 40 EIAB O=C(C[C@@H]1CCOc2ccccc21)N1CCCC[C@H]1c1nccs1 72287470 PYHNWDDJDPDFKH-HOCLYGCPSA-N 342.464 4.153 0 40 EIAB CC1(C)C[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCO1 85874974 RQSXMUNZCHBRIZ-OAHLLOKOSA-N 340.467 4.124 0 40 EIAB biogenic O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1nnsc1Cl 89105008 JZQDSWHKGGIVOT-LLVKDONJSA-N 348.859 4.098 0 40 EIAB CS(=O)(=O)Cc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C2CC2)C1 92169865 VXCOAILFJZCUIU-CJNGLKHVSA-N 341.904 4.265 0 40 EIAB CN(Cc1ccccc1NCc1cscn1)C(=O)c1cccs1 95429256 BMXNJDOCVHPZBW-UHFFFAOYSA-N 343.477 4.089 0 40 EIAB CO[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)s1 96104715 OFWPXGPUJASUQT-ZDUSSCGKSA-N 344.263 4.481 0 40 EIAB Cc1cc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)no1 100970386 HZWGUUGBNTWNRZ-AJHHTPGJSA-N 336.435 4.460 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc3ccccc3[nH]2)C1 102061231 ODEOMUANHGHZAW-ORAYPTAESA-N 343.496 4.082 0 40 EIAB Clc1ccccc1-c1noc(-c2occc2Br)n1 216668785 GWVXKKIUUCNAOQ-UHFFFAOYSA-N 325.549 4.413 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1cccc2ccccc12 222970383 WQUVHKHGUCJDIJ-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB C[C@H](CNC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 224145164 WXDBSRHLNJFJQY-OAHLLOKOSA-N 331.843 4.419 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 224292902 BTSXWYDQHROBPR-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CCCCOCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 224438463 OSJXTQGGAWWTHB-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB Cc1cccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225087591 PQGYXGHCFNAJLV-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CCOc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225106969 SKFYKIRXVUVLGW-LJQANCHMSA-N 342.435 4.458 0 40 EIAB COCCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225283629 VGVNEIOYESGXQI-UHFFFAOYSA-N 346.521 4.302 0 40 EIAB CC(C)CSc1nnc(NC(=O)Cc2ccccc2Cl)s1 225443724 YQNPIJXQAHOGLN-UHFFFAOYSA-N 341.889 4.121 0 40 EIAB CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc2ccccc2s1 225448040 HROJFDFKXQMJMR-CQSZACIVSA-N 336.416 4.019 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2C)c(OC)c1 225752858 VTENWKSSCIOCLN-CYBMUJFWSA-N 330.453 4.060 0 40 EIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225818217 RDIBUGVWGXRODD-INIZCTEOSA-N 347.377 4.494 0 40 EIAB CC[C@H](C(=O)NC[C@H](OC)c1cc2ccccc2o1)c1ccccc1 253471951 GSMVVIURQNOOSA-PXNSSMCTSA-N 337.419 4.430 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1ccc(OC)cc1OC 408585411 DCEWXOCJDPRTLX-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408625581 XNUSKDBYWOMBBQ-HNNXBMFYSA-N 334.419 4.094 0 40 EIAB O=C(COc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1 575242735 FVBSBDYLAJWHGT-UHFFFAOYSA-N 328.261 4.185 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)NCc2oc3ccccc3c2C)on1 604590657 CWJIBYXKPTYHNW-HNNXBMFYSA-N 339.395 4.084 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Br)cc2C)c(C)c1 38560 DCYHQUZYBWEEGH-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Cc1cc(OCC(=O)Nc2ccccc2C)ccc1Br 117369 MAIARRROBCOUNF-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c1 150377 ODMVAPIBXHTMHW-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB O=c1oc2ccc(Cl)cc2cc1-c1cn2cc(Cl)ccc2n1 244907 BOGFSYNPPDEDKY-UHFFFAOYSA-N 331.158 4.415 0 40 EIAB Cc1ccc(C)c2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc12 421624 DUCKEMVBRGEQAK-SFHVURJKSA-N 337.810 4.359 0 40 EIAB COc1cccc(C2=N/C(=C/C(Cl)=C/c3ccccc3)C(=O)O2)c1 430059 KHHUKOQGSJDXLV-ADHCAXNZSA-N 339.778 4.162 0 40 EIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 568851 YOXXBZYWBJVEDE-LBPRGKRZSA-N 330.428 4.466 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(Br)cc1)C2 1079842 KNYLDGNGWUERDH-DXCKQFNASA-N 336.273 4.394 0 40 EIAB COc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)[nH]c2=S)cc1 2689235 IZLCIVYEZOSGHW-UHFFFAOYSA-N 342.420 4.228 0 40 EIAB O=C(COC(=O)c1cc2ccccc2cc1O)c1cccc(Cl)c1 3275196 QDROVPWIBUEHQB-UHFFFAOYSA-N 340.762 4.239 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1OC 3553863 HGGHGPKIYUFXQS-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2cccs2)N3)C1 4554035 XSULAHMHIMBIKB-AWEZNQCLSA-N 333.482 4.005 0 40 EIAB CC(=O)Oc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1C 4586170 UCZDRXVLIVYSPY-UHFFFAOYSA-N 334.327 4.440 0 40 EIAB biogenic CC(C)c1ccc(Nc2ncnc3c2nnn3Cc2ccccc2)cc1 4922200 YESLHECIEFOXRZ-UHFFFAOYSA-N 344.422 4.137 0 40 EIAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C 5033141 YOGCKJNJETVCSF-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB COc1ccc(-c2onc(C)c2-c2ccc(OC)c(OC)c2)c(O)c1 5483843 IULLEDPDHCSIMT-UHFFFAOYSA-N 341.363 4.048 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN(C)C1CCCCC1 6007657 ZKGHLKYIPSVZNW-RSPOEFSDSA-N 325.537 4.089 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 6657328 ARLBMBZTWPOAKF-WYMLVPIESA-N 334.441 4.106 0 40 EIAB O=C(NCc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 7061260 CFRGVNKWGUYPFT-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB C[C@H]1CCCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 7384230 RIAHUMHFOFRFFL-ROUUACIJSA-N 336.479 4.013 0 40 EIAB CC(=O)Nc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)cc1 7483242 QSKYSYPELHZSNK-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB COc1cccc(CNC(=O)c2ccccc2Oc2ccccc2)c1 8404185 RIPKRWLGBJUWJD-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB CC(=O)c1cc(Cl)ccc1OCc1nnc(-c2ccccc2)o1 8745583 KLVPXTPNNNAAME-UHFFFAOYSA-N 328.755 4.172 0 40 EIAB CCOC(=O)c1oc2ccc(NC(=O)c3cccs3)cc2c1C 9659848 HZOYBVJDAULKPJ-UHFFFAOYSA-N 329.377 4.232 0 40 EIAB biogenic COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 10351348 XWHIIZYNRPQHRQ-YWZLYKJASA-N 338.451 4.072 0 40 EIAB Fc1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c(Br)c1 11171299 YZIGHNMHQZWVFA-STQMWFEESA-N 343.265 4.092 0 40 EIAB COc1ccc(Cl)cc1NCc1cc2cc(C)cc(C)c2[nH]c1=O 12493038 YSYKZGIQYDDUJD-UHFFFAOYSA-N 342.826 4.419 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12784022 ALAHJCDUXJGVOL-LBPRGKRZSA-N 342.395 4.355 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 13001704 PTAKVKQEDXHRIG-NSHDSACASA-N 346.452 4.431 0 40 EIAB C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 13041455 FDQIZQARHZNEEK-JTQLQIEISA-N 348.233 4.081 0 40 EIAB Clc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCC3 13690662 DULPMXLPECKVAY-UHFFFAOYSA-N 326.812 4.148 0 40 EIAB CCCNc1c(NC(=O)c2cccc(C)c2)c(=O)oc2ccccc12 15768055 KNEIGCFQYMZJNL-UHFFFAOYSA-N 336.391 4.176 0 40 EIAB Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 19736430 KPGLNABKFAYUKV-AWEZNQCLSA-N 326.440 4.281 0 40 EIAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1C 21915100 PIXZRVJCZYIGDH-FQEVSTJZSA-N 344.414 4.201 0 40 EIAB Cc1cccc(C)c1Nc1ncccc1C(=O)NCCc1ccccc1 22072263 GSPIDKSEVXPVAF-UHFFFAOYSA-N 345.446 4.415 0 40 EIAB Cc1oc(C)c(C(=O)NCCc2ccc(Br)s2)c1C 25076294 DJTIZWRLSJAJBH-UHFFFAOYSA-N 342.258 4.001 0 40 EIAB O=C(Nc1nc(-c2cccs2)cs1)C1=Cc2ccccc2OC1 26768476 SYJWAYOCRIIXFR-UHFFFAOYSA-N 340.429 4.286 0 40 EIAB CCOc1cc2c(cc1NC(=O)CCc1cccs1)O[C@@H](C)C2 26886965 LFDPXVHBLMTOBU-LBPRGKRZSA-N 331.437 4.042 0 40 EIAB CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@@H]1CCc2ccccc21 27823813 SBGQMHJUORCFEY-QGFLDLQWSA-N 343.430 4.031 0 40 EIAB Cc1nc(SCC(=O)NC2CCCCCCC2)n(C2CC2)c1C 32810112 FTGUMYYGSLYVFQ-UHFFFAOYSA-N 335.517 4.156 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F 32837412 RDQZOQFRZMQKAM-CQSZACIVSA-N 339.313 4.381 0 40 EIAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc2c(c1)CCO2 36390567 XFHODMVDZAIFTO-QPJJXVBHSA-N 344.208 4.036 0 40 EIAB COc1ccc2[nH]cc(C(=O)c3ccc(Br)cc3)c2c1 37364297 SPRXLNJFTFGVJT-UHFFFAOYSA-N 330.181 4.170 0 40 EIAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(F)cc3)c2c1 38487337 PDUYUVKVWONCKK-UHFFFAOYSA-N 340.354 4.303 0 40 EIAB Cc1ccc(-c2nc(Cn3cnc4ccc(C)cc4c3=O)co2)c(C)c1 40116968 AZZNCFGSEVDRQT-UHFFFAOYSA-N 345.402 4.025 0 40 EIAB CCCc1cc(C(=O)NCc2ccc(N(CC)CC)nc2)sc1C 40118601 NYTCVUBBBQQLPO-UHFFFAOYSA-N 345.512 4.180 0 40 EIAB CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1N(CC)CC 40175518 GGIVZZRLRSAEAP-UHFFFAOYSA-N 340.345 4.277 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1 44885693 CRQNCZJALJBJBB-QGZVFWFLSA-N 331.843 4.246 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 47209479 CNGTUDCVYLLYTM-CQSZACIVSA-N 341.407 4.253 0 40 EIAB Cc1ccc(CN2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1 54278179 IQMMQSIBEKRBJF-UHFFFAOYSA-N 349.430 4.379 0 40 EIAB biogenic Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH]1 56309642 PDHQOMJLRIMDAB-NEPJUHHUSA-N 325.334 4.179 0 40 EIAB CCCC(=O)Nc1ccc(CNCc2csc(C(C)C)n2)cc1 58216818 BBHWABYRGMFMFJ-UHFFFAOYSA-N 331.485 4.295 0 40 EIAB N=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1ccccc1 58366282 CQOWHTJXRDICKR-UHFFFAOYSA-N 336.370 4.149 0 40 EIAB Cc1noc2ncc(C(=O)Nc3ccc4c(ccn4CC(C)C)c3)cc12 58425915 JKINUFVQHNMNGW-UHFFFAOYSA-N 348.406 4.394 0 40 EIAB COc1ccc2c(-c3ccc(F)cc3)cc(C(=O)O)cc2c1OC 62702282 DKRYUAWCFVXINV-UHFFFAOYSA-N 326.323 4.361 0 40 EIAB CCCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21 64963669 WQXYLSMINROXTG-UHFFFAOYSA-N 345.402 4.437 0 40 EIAB CCOC1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 65475274 MZKUPLBBQWTGOC-UHFFFAOYSA-N 338.860 4.038 0 40 EIAB Cc1ncsc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C 68773625 VAUGNZNAPQCZEP-UHFFFAOYSA-N 333.413 4.051 0 40 EIAB O=C(C[C@H]1OCCc2sccc21)N1CCC[C@H]1c1ccsc1 69418809 MTLTXPLGBZDJDF-LSDHHAIUSA-N 333.478 4.177 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1coc(-c2ccccc2)n1 71876663 GVDZUHIVBCVDMU-SFHVURJKSA-N 336.439 4.029 0 40 EIAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4C)C3)n2)cc1 72369928 TWXZFTOKYFODHZ-GOSISDBHSA-N 349.434 4.043 0 40 EIAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 78611608 YWNQWWGNGNZZQD-IBGZPJMESA-N 347.418 4.051 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc2ccccc2n1 78880150 TZSUFQPPCWEUTK-IBGZPJMESA-N 334.467 4.354 0 40 EIAB CN1CCCN(C(=O)c2scnc2C(C)(C)C)c2cc(F)ccc21 80935493 NBFHSYQQSBWMQB-UHFFFAOYSA-N 347.459 4.066 0 40 EIAB Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 84225442 AVTOQKCDIIRURG-WOJBJXKFSA-N 343.442 4.019 0 40 EIAB O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccsc1 84452316 BHNZSBCVJGZTCM-UHFFFAOYSA-N 327.283 4.265 0 40 EIAB Cc1csc([C@@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C2CC2)n1 86424503 ISMGKSAGPYIYAM-WBMJQRKESA-N 345.468 4.431 0 40 EIAB COCCSCc1cccc(NC(=O)N2Cc3ccccc3C2)c1 95398089 GEFPVAYKLLXQSY-UHFFFAOYSA-N 342.464 4.114 0 40 EIAB CO[C@](C)(CNC(=O)/C=C/c1cccs1)c1cccc(Cl)c1 96392390 UPRAMARLKDVLCL-KBOKABMXSA-N 335.856 4.093 0 40 EIAB C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)c1ncc(C(C)(C)C)o1 96447715 LIZIHAJIEYHJKM-LLVKDONJSA-N 339.482 4.229 0 40 EIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 105365709 FMNPCVNWRFPDCA-TXVWBRJLSA-N 328.452 4.483 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C)cc1C 113960664 IZOSWSDYGNMNGI-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB COC(=O)N[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917453 CEZKLEHYJURHTB-XKZKVINKSA-N 349.515 4.115 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 169306134 IYWXNCONOXNVSJ-LFGUQSLTSA-N 329.399 4.055 0 40 EIAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc(C2CC2)on1 206899706 GKQCJUFAQYYJTL-UHFFFAOYSA-N 344.374 4.119 0 40 EIAB Cc1cccc(CCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 218922935 FRMCAICOESITIY-UHFFFAOYSA-N 345.870 4.393 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NCCSc2ccccc2)cc1 218928112 NOQKHQJUXGIPKM-UHFFFAOYSA-N 343.492 4.271 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)NCCOCc1ccccc1 223418321 FMTKWXVBHPMVHG-UHFFFAOYSA-N 349.883 4.155 0 40 EIAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3SC)ccc21 225077835 GMBMQYGSUBEMGP-UHFFFAOYSA-N 344.461 4.057 0 40 EIAB C[C@@H](O)c1ccc(CCNC(=O)C2(c3cccs3)CCCC2)s1 225687542 UEPCXZHYQZFOAA-CYBMUJFWSA-N 349.521 4.034 0 40 EIAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCCC1 225887919 XVCRLSKDEODHNK-UHFFFAOYSA-N 342.439 4.167 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252506850 WQVMLLJZZDUUPC-PZTGFMGMSA-N 339.564 4.383 0 40 EIAB CC(C)(C)OC(=O)N1CCC(c2cccc(-c3nccs3)n2)CC1 257338137 YWAZEPGRFWHLND-UHFFFAOYSA-N 345.468 4.320 0 40 EIAB O=C(O)/C(Cl)=C(\Cl)C=NNc1ccc(Cl)cc1Cl 257353607 SBSRULZLMIEKQJ-HUHORTKNSA-N 327.982 4.165 0 40 EIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 390830245 JRQQSNIVYKXKLK-CYBMUJFWSA-N 327.440 4.491 0 40 EIAB O=C1N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1 409198282 BPVYWRBPQIOUIP-OVCLIPMQSA-N 347.201 4.086 0 40 EIAB C[C@@H](NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1ccc(F)cc1Cl 624239018 BJLMVFMHORLYPY-BWACUDIHSA-N 337.826 4.021 0 40 EIAB CC(C)(O)C1CCC(C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 651360040 OOFQSQRAEDIFBW-OFLPRAFFSA-N 333.472 4.301 0 40 EIAB C[C@@H]1Cc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2C(=O)[C@@H]1C 106077 YXCWRLCZWVCEDO-ZIAGYGMSSA-N 332.403 4.256 0 40 EIAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 411901 XHMVTKQYPGISHV-UHFFFAOYSA-N 330.844 4.306 0 40 EIAB Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(C)(C)C)cc1 496001 KWSVJFSPGPZQRB-UHFFFAOYSA-N 335.444 4.124 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1C 2408688 QOVNVWNABIRTOM-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB CCN(CN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1 3015034 UZYSYUVDGKLSMG-LGMDPLHJSA-N 338.432 4.207 0 40 EIAB CCCCCn1cc(C(=O)C(=O)NC2CCCCC2)c2ccccc21 3627627 FMNQADMLHXJELL-UHFFFAOYSA-N 340.467 4.463 0 40 EIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 4935879 OAQVZCDACSVIDZ-UHFFFAOYSA-N 335.432 4.120 0 40 EIAB C=CCSc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1 5228682 NZARSTAKGVSUKO-UHFFFAOYSA-N 338.432 4.063 0 40 EIAB O=C(O[C@@H]1CCCCC1=O)c1cc2c(s1)-c1ccccc1CC2 5303678 CHNNSQCPEDHVKH-MRXNPFEDSA-N 326.417 4.182 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(C(F)(F)F)c1 5440485 JAKOUOBHMLCDNR-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5512642 KLPAVJOBBNSUFY-UHFFFAOYSA-N 330.815 4.074 0 40 EIAB CC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6790679 GMQQYVVJQOTIDC-UHFFFAOYSA-N 331.799 4.339 0 40 EIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccn2C)cc1 7087958 CJLKDXMAGGDSER-FQEVSTJZSA-N 331.419 4.100 0 40 EIAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1 7214468 AUVFODGOHLPOLF-UHFFFAOYSA-N 333.174 4.294 0 40 EIAB CCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 7405598 URZNCERUHUNTRE-UHFFFAOYSA-N 327.808 4.232 0 40 EIAB CCOC(=O)c1ccc(-c2ccc(CNCc3ccco3)o2)cc1 7520605 OEAJXGMYCVDGBM-UHFFFAOYSA-N 325.364 4.006 0 40 EIAB O=C(Cc1ccc(Cl)cc1)OCc1cc(-c2cccs2)on1 7551546 CJMCSOQCQOKPDT-UHFFFAOYSA-N 333.796 4.342 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CSc3ccncc3)c2)cs1 8025146 OVJIUIZHANERLE-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB COc1ccccc1CNC(=O)CCc1ccc(-c2ccccc2)o1 8115828 TZGLUTDBBNFJES-UHFFFAOYSA-N 335.403 4.204 0 40 EIAB c1ccc(-c2cnc(CSc3nc(-c4cccs4)n[nH]3)o2)cc1 8230889 CEVLTXTUWAPAGY-UHFFFAOYSA-N 340.433 4.481 0 40 EIAB COc1ccc(Br)cc1CNCc1ccccc1Cl 8493029 IDKTZVQTLBNKEQ-UHFFFAOYSA-N 340.648 4.401 0 40 EIAB CC(C)CC[C@]1(CCNC2CCN(C)CC2)CCO[C@H](C(C)C)C1 8992492 UOPPJLUPPAPMDX-SFTDATJTSA-N 338.580 4.318 0 40 EIAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 9550082 FSPIPKHFWIHJFP-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB O=C(c1csc(-c2ccccc2)n1)N1CCc2sccc2C1 10924260 WXNVMQXFPIMAMC-UHFFFAOYSA-N 326.446 4.070 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1c[nH]c(=S)n1-c1ccccc1 12211498 GNKUMLFYYFJPEN-UHFFFAOYSA-N 335.432 4.276 0 40 EIAB CCOc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 13132340 OKCWYSCYQJCNJK-OALUTQOASA-N 334.423 4.132 0 40 EIAB O=C1S[C@H](Cc2ccc3ccccc3c2)C(=O)N1Cc1ccoc1 13479516 GFTVGOFJGMHHKR-QGZVFWFLSA-N 337.400 4.240 0 40 EIAB CCOc1cccc2cc([C@H](C)NC(=O)Cc3ccsc3)oc12 14022332 KOUNIXMBVUPOEP-LBPRGKRZSA-N 329.421 4.313 0 40 EIAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)cc1 20495955 IUCGZAIXJAPKOG-UHFFFAOYSA-N 337.379 4.121 0 40 EIAB CCOc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 22884104 NFMQRLXITAPJFX-UHFFFAOYSA-N 340.206 4.410 0 40 EIAB Cc1ccc(-c2nnc(CN(Cc3ccco3)Cc3ccco3)o2)cc1 25928391 FDQBQIWTYUWYPR-UHFFFAOYSA-N 349.390 4.433 0 40 EIAB Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27581850 CNEIYAIJHDHFMF-NRFANRHFSA-N 336.479 4.260 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(C)cc1 30756510 LCYTVZVCAFXQJO-SFHVURJKSA-N 331.843 4.464 0 40 EIAB CC(=O)N(Cc1ccco1)[C@H](c1ccccc1)c1ccc2c(c1)OCO2 32105246 HHJMAKRZTPNGIZ-OAQYLSRUSA-N 349.386 4.146 0 40 EIAB CCC[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 32795338 GMCUPJKJDFOZFN-PBHICJAKSA-N 340.423 4.317 0 40 EIAB Cc1ccc(CC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 32930553 YSBQRZSZJVSPJD-UHFFFAOYSA-N 332.403 4.041 0 40 EIAB O=C(COc1cccc(Cl)c1)NCc1cccc(C(F)(F)F)c1 36841576 GCKDYAMZVNGXOX-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB Cc1nc2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc2nc1C 48303767 FYWBYWZPCCNLDF-SJCJKPOMSA-N 349.434 4.235 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364419 FJBOOSCFBFRCFM-GOSISDBHSA-N 344.414 4.154 0 40 EIAB Cc1noc(C)c1CNc1ccc(C(=O)N2CCc3ccccc32)cc1 58202397 DYGPPDVYIZPXTC-UHFFFAOYSA-N 347.418 4.106 0 40 EIAB CSc1nc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c2ccccn12 60581532 LRVCHTVLBQBVEU-UHFFFAOYSA-N 336.420 4.098 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccc(Br)cc1)CC(O)=N2 61717649 OVLRFYSYVNCECS-SECBINFHSA-N 338.230 4.071 0 40 EIAB CCn1ccc2cc(NC(=O)c3ccc4nc(C)c(C)nc4c3)ccc21 63486081 ULZZEVVHKGAFJN-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB Cc1nc(C(=O)Nc2ccccc2N2CCc3ccccc32)cs1 69699509 ICNPYCMGNMJBFY-UHFFFAOYSA-N 335.432 4.398 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccccc1Br 71287743 HLQQJIFAHMTNQU-NSHDSACASA-N 334.217 4.350 0 40 EIAB CC1(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCCC1 71914439 CVIJKCRPDVCVOF-QGZVFWFLSA-N 335.875 4.192 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1csc(C)n1 72271604 MCKSDBNGIKTBJZ-YGRLFVJLSA-N 335.498 4.293 0 40 EIAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 72292898 PKACCFLIOCAQCS-RDTXWAMCSA-N 339.414 4.236 0 40 EIAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)nc2c(C)cc(F)cc12 72329523 RJDXRALAILOJOY-ZDUSSCGKSA-N 338.382 4.182 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(C)(C)C)nn1C 77589891 NGTNFVALMIXFLO-CYBMUJFWSA-N 339.439 4.297 0 40 EIAB Cc1nccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)n1 84290708 WLGNWQCKOKMTLW-FQEVSTJZSA-N 343.386 4.051 0 40 EIAB Cc1ncc(CNC(=O)N(C2CC2)[C@@H](C)c2ccccc2F)s1 86371471 VGHNFKMJJFYEFQ-NSHDSACASA-N 333.432 4.026 0 40 EIAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCCc2ccccc21 89894190 MCOOMDYSXOTRCU-BLLLJJGKSA-N 325.374 4.296 0 40 EIAB CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)C[C@H]1C 95447025 GCOGKJPJCOJOCU-DNVCBOLYSA-N 333.447 4.350 0 40 EIAB Cc1cccc(C[S@@](=O)C[C@H](O)c2ccc(Cl)cc2Cl)c1 95946408 NIIWFFALYVEZLF-KKSFZXQISA-N 343.275 4.284 0 40 EIAB CCOC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 109768278 PCQQXVDHIISBHU-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB CN(C(=O)CSCc1ccc(Br)cc1)C1CCCC1 216239551 UVBSRIQMZVUOHV-UHFFFAOYSA-N 342.302 4.083 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222743367 TXJBLXRUQXSECV-OAHLLOKOSA-N 329.465 4.114 0 40 EIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1 224358986 SUMLPFFJAILNBU-UHFFFAOYSA-N 327.424 4.050 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 224421958 HYGCEBDFEMBYJS-SJORKVTESA-N 325.452 4.497 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCC1 224870852 CLLAKQWLRNSISO-HNNXBMFYSA-N 347.524 4.125 0 40 EIAB CC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(OC)c(OC)c1 224972274 GNOXGDGNHOERPZ-KRWDZBQOSA-N 345.414 4.043 0 40 EIAB C[C@H](NC(=S)Nc1nccc(-c2cccs2)n1)c1ccccc1 225185199 DBSKTRAYTSRANY-LBPRGKRZSA-N 340.477 4.253 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccccc1C 225258186 SMIUBVWCCMRBPA-KRWDZBQOSA-N 347.480 4.050 0 40 EIAB CCc1ccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)cc1 225265058 ZYWUTWSEKXUGBB-AWEZNQCLSA-N 344.480 4.012 0 40 EIAB O=C(CCc1c(Cl)cccc1Cl)NCCCOC1CCCC1 225359989 IOBCNXMERCZPDR-UHFFFAOYSA-N 344.282 4.392 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c(C)c1 225367670 OZVQWAIRKFWWPQ-UHFFFAOYSA-N 337.419 4.416 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 225651239 DTCYEZYKNOOIAM-KRWDZBQOSA-N 339.435 4.344 0 40 EIAB CCCO[C@@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 225858859 RPKQZTQCQSPVGK-HXUWFJFHSA-N 327.424 4.382 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(F)(F)CC1 257254499 KDHZIDCQALQGDV-UHFFFAOYSA-N 340.370 4.129 0 40 EIAB c1csc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1 306132740 LQSGLVFEBYNAMX-OAHLLOKOSA-N 338.480 4.190 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 585148256 UTIWAVFXGJGSRS-ZDUSSCGKSA-N 347.823 4.125 0 40 EIAB O=C(N[C@H](C1CCC1)C1CC1)c1c[nH]nc1-c1ccccc1Cl 622681666 UHIWDLMVWQLKBV-MRXNPFEDSA-N 329.831 4.039 0 40 EIAB Oc1cccc(CNCCCCOCCc2ccccc2)c1Cl 645146702 DQWRIDOLNVFVRV-UHFFFAOYSA-N 333.859 4.175 0 40 EIAB COc1cccc([C@@H]2Oc3cccc(OC)c3P2C(C)(C)C)n1 1772768990 YKAJTAYURKBDBW-LIXIDFRTSA-N 331.352 4.096 0 40 EIAB CCOC(=O)c1cnc(SC)nc1Nc1cccc2ccccc12 383922 IZDXRQNVMZOKMJ-UHFFFAOYSA-N 339.420 4.272 0 40 EIAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 389361 LWLWMKZVJACQPO-HNNXBMFYSA-N 336.387 4.368 0 40 EIAB biogenic Cc1ccccc1OCc1nnc(SCc2ccc(F)cc2)o1 418576 KTRMTEUVZQELJU-UHFFFAOYSA-N 330.384 4.388 0 40 EIAB O=C([C@H]1COc2ccccc2O1)N(c1ccccc1)c1ccccc1 507370 JETAYAQTYKCPDR-HXUWFJFHSA-N 331.371 4.191 0 40 EIAB CN(C)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 3194415 CREFIKIPKYVDCV-UHFFFAOYSA-N 345.446 4.432 0 40 EIAB CCOc1ccc2oc(C(=O)OCC(=O)c3cccs3)c(C)c2c1 3285424 AESAIGYHCGGMQK-UHFFFAOYSA-N 344.388 4.241 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1 4033184 PYOCVZVJQCSAAS-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB CC(=O)Nc1ccc(Sc2cc(NC3CCCCC3)ncn2)cc1 4658739 WCKKAEZUJAGKHM-UHFFFAOYSA-N 342.468 4.331 0 40 EIAB CC(=O)c1cccc(NC(=O)COC(=O)CCCC2CCCCC2)c1 5206066 PPUTZAJIQNBTHL-UHFFFAOYSA-N 345.439 4.122 0 40 EIAB CCCC(=O)N(Cc1ccccn1)c1nc2ccc(OC)cc2s1 5265126 YWGIWSXRXGMEMO-UHFFFAOYSA-N 341.436 4.033 0 40 EIAB OCc1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 5939194 PNHPZPROLLYHNX-UHFFFAOYSA-N 327.236 4.295 0 40 EIAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)S[C@@H](C)C(=O)N2 6678476 NNCLPCHDRRAINK-MADCSZMMSA-N 342.251 4.188 0 40 EIAB Cc1occc1-c1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1 6979555 UFZCQPXSCDFADE-HNNXBMFYSA-N 341.436 4.107 0 40 EIAB Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)c2ccccc2)c1Cl 7386555 PAXFJJUVUANSDA-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccccc1Cl 7595837 RAZGJHPFJIQUDB-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1 7726018 ZRLJSJYUIVLKGU-UHFFFAOYSA-N 344.798 4.167 0 40 EIAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1nccs1 8394784 LIPNAKDFLZEZHH-UHFFFAOYSA-N 335.841 4.101 0 40 EIAB CNc1c(NC(=O)Nc2cc(C)cc(C)c2)c(=O)oc2ccccc12 9607403 LKWKSNPLLODGLT-UHFFFAOYSA-N 337.379 4.096 0 40 EIAB C[C@@H]1Cc2cc(/C=C3/SC(Nc4ccccc4)=NC3=O)ccc2O1 10299445 KDRNNJQKVMEQQE-PBSOMRJOSA-N 336.416 4.092 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Cl)cc1 12111629 KQXFUDHVHZVLSN-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 12407755 FLOFCXXNXGZPQS-OAQYLSRUSA-N 348.446 4.248 0 40 EIAB Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1ccccc1 12481067 SXZGHGRMWVKECO-UHFFFAOYSA-N 336.439 4.081 0 40 EIAB O=C(Nc1ccncc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 12539068 CPVBEDHSIFVLFX-FQEVSTJZSA-N 342.402 4.028 0 40 EIAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCCc2ncccc21 12637796 COTMSSKNFKGHMT-UHFFFAOYSA-N 330.387 4.467 0 40 EIAB Cc1cc(C)cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 12744992 XIIBFFRNLGIPNS-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB Cc1cnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)s1 12817261 SJDDCNXSKMVIOK-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 12852833 VKVTZVAUEKNKTL-NSHDSACASA-N 347.773 4.482 0 40 EIAB COc1cccc(CNC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 13010805 FPEYLLKJPYOGIQ-OAHLLOKOSA-N 334.419 4.409 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)NCCCc1ccccc1 13668147 OVFAZVNHRACQAP-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2nnc(C3CCCCC3)s2)c1 14679115 OCPPBYWXIUJHFS-UHFFFAOYSA-N 345.468 4.220 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1 17970762 UHEKSQQOBLTDQL-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1F 18699945 DOEMHWCKHPFAFT-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1ccc(F)c(C(F)(F)F)c1 19935119 GBSQGVFVLHNTDE-UHFFFAOYSA-N 331.240 4.001 0 40 EIAB CC(C)(Br)C(=O)Nc1nc2ccc(Cl)cc2s1 20133170 CZPQXOHXJMMWOP-UHFFFAOYSA-N 333.638 4.062 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)cc1 22259155 VHVVMURANMGHGS-UHFFFAOYSA-N 329.465 4.490 0 40 EIAB CC(C)C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 23054125 YDKYQZFVOZJGSP-OAQYLSRUSA-N 347.462 4.318 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)n[nH]2)s1 23108126 XFYMKCYYXICNAE-UONOGXRCSA-N 329.469 4.099 0 40 EIAB Cc1ccsc1C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 27921300 ROQCPVVQWHNUNJ-UHFFFAOYSA-N 325.437 4.170 0 40 EIAB COc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)c(OC)c1 28806112 OHGSNZQULXBKJP-ZDUSSCGKSA-N 339.395 4.235 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2c1C 29277878 YYMPTZHFMOJLST-UHFFFAOYSA-N 330.391 4.427 0 40 EIAB COc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1Cl 36353281 DXQJWWLZKSRDAU-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CC(C)Oc1ccc(CNC(=O)COc2ccccc2C(C)C)cc1 36559400 NHZSESODMUWUCV-UHFFFAOYSA-N 341.451 4.292 0 40 EIAB CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 38410698 PHMGZAICAOYEAF-UHFFFAOYSA-N 328.500 4.258 0 40 EIAB in-vitro C[C@H](Sc1ccccc1F)C(=O)Nc1cccc2ncccc12 40049310 ZURPRKSCXTZXMU-LBPRGKRZSA-N 326.396 4.493 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 40107070 TWDYIEUTINPWHZ-UHFFFAOYSA-N 338.338 4.274 0 40 EIAB CCCN(Cc1ccc(C)cc1)C(=O)c1oc2c(c1C)C(=O)CCC2 40130913 NKCFSKCOWNNYGA-UHFFFAOYSA-N 339.435 4.468 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2cccc(F)c2)C1 40287462 MZYSSDWGTUQBBA-CYBMUJFWSA-N 343.308 4.413 0 40 EIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccnc1 40497853 KSFUPZCDFSIQEI-NSHDSACASA-N 338.238 4.291 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)Oc4ccccc43)no2)cc1 41155566 MAYMLYQJTIEQNY-CQSZACIVSA-N 334.375 4.078 0 40 EIAB Cc1ccc(C(=O)O)cc1OCc1csc(Br)c1 42340531 QJFLFJMXQSAROL-UHFFFAOYSA-N 327.199 4.096 0 40 EIAB in-vitro CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1cccc(C)c1 44838944 XRBDHKWINSUBAN-LJQANCHMSA-N 329.415 4.041 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1cccc(C(F)(F)F)c1)SCC(O)=N2 44903449 BVYZILSBCUAWGF-GFCCVEGCSA-N 327.331 4.161 0 40 EIAB O=C(CCN1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 45221490 DZKIOFLRMOOKEW-QHCPKHFHSA-N 345.442 4.486 0 40 EIAB Oc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccc(Cl)cc12 48356080 MFMZEIMALKSZFZ-OAHLLOKOSA-N 345.855 4.387 0 40 EIAB CCC[C@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 58407303 PYGDTLKNOLLSDL-AWEZNQCLSA-N 347.484 4.160 0 40 EIAB c1ccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348937 GPXNHZFXLJMJJB-FQEVSTJZSA-N 343.474 4.447 0 40 EIAB COc1ccc(CN2CCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 72390163 MAEBEAOUXZZIMD-MRXNPFEDSA-N 341.436 4.144 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccnc(Br)c1 79096984 NORBFDQFEDIKMR-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CC[C@H](C)[C@@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 84721600 NPDPGKLGWITRKF-PKOBYXMFSA-N 331.500 4.265 0 40 EIAB CCOc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1C 95095776 JJRBQKXVWSXNOU-UHFFFAOYSA-N 330.409 4.085 0 40 EIAB CC(C)(COC(=O)c1cnc(-c2ccncc2)s1)c1ccccc1 95444283 WALAZFPJXZPBMK-UHFFFAOYSA-N 338.432 4.340 0 40 EIAB Cc1cc(C)cc(Nc2nccc(Nc3cccc(C(=O)O)c3)n2)c1 96693881 ADADTYJFJYNQAQ-UHFFFAOYSA-N 334.379 4.279 0 40 EIAB COc1ccc(-n2nc(C)c(Cc3cccc(Cl)c3)c2O)cc1 100139181 JAFMAHQZRNRAOE-UHFFFAOYSA-N 328.799 4.139 0 40 EIAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccnc1 102075440 UDGBLNHPASXWGO-QJRTVWDNSA-N 349.272 4.144 0 40 EIAB C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@@H]1C[C@H]2CC[C@H]1C2 102606351 GCLRGSOQPXHGPU-YXMPFFBPSA-N 345.826 4.001 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1cccc2ccccc12 218914061 DAHMEEBJIZWTDP-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)S1 222603124 HZLLCEALRSHAFC-COXVUDFISA-N 340.496 4.227 0 40 EIAB Cc1cccc(CSCC(=O)NCCSC2CCCCC2)c1 222736944 LYUGPXSBNMRESO-UHFFFAOYSA-N 337.554 4.410 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1Cl 223664099 XIGRKTOHASVLPY-UHFFFAOYSA-N 331.843 4.446 0 40 EIAB Cc1cccc2sc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc12 225524440 SVOAQHAMSQQMPZ-UHFFFAOYSA-N 348.468 4.383 0 40 EIAB O=C(NCc1cncc(-c2ccoc2)c1)c1c(F)cccc1Cl 575621354 VOWAZDQKQYJUTL-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB COc1ccc(-c2nnc(S)n2-c2ccc(Cl)cc2C)cc1 67324 ILOFLEJGCBNXNF-UHFFFAOYSA-N 331.828 4.193 0 40 EIAB O=C1CS[C@H](c2ccc(Br)cc2)N1C1CCCCC1 180291 WHNJIQGQJDOJBK-OAHLLOKOSA-N 340.286 4.356 0 40 EIAB C[n+]1cccc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)c1 207078 UURFISZXAOBZQC-NRFANRHFSA-N 349.498 4.077 0 40 EIAB CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 549271 QJPFEAYAWOQJHU-AWEZNQCLSA-N 328.799 4.106 0 40 EIAB CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cc(C)ccc3nc21 1278277 WMHIPZNGDVBYNU-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB C[C@@H](COc1ccccc1Cl)OC(=O)C(Cl)(Cl)Cl 2044333 WQIPBQODMDVSJE-ZETCQYMHSA-N 332.010 4.021 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1cc(C)cc(C)c1)C3 2118936 XCXZTCOTYMWLML-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic c1ccc(COc2ccc(OCc3nnc4n3CCCCC4)cc2)cc1 3241573 LIKWARLEPUBKTK-UHFFFAOYSA-N 349.434 4.163 0 40 EIAB CC(C)n1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033428 NGEDGNQJDCVHHA-AWEZNQCLSA-N 337.398 4.277 0 40 EIAB COc1ccc(CCOC(=O)Cc2coc3cc(C)c(C)cc23)cc1 4493639 RWSDDYJWWVBGMY-UHFFFAOYSA-N 338.403 4.387 0 40 EIAB CCCCNc1ncc2c(n1)C[C@H](c1cccc(Cl)c1)CC2=O 4741297 GGFKOASEAHZNAI-ZDUSSCGKSA-N 329.831 4.255 0 40 EIAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)c1ccc(Cl)cc1 4835171 LZKPGICZFRYARA-LBPRGKRZSA-N 343.839 4.284 0 40 EIAB CSc1cccc2sc(NC(=O)c3ccc(C(C)=O)cc3)nc12 5299228 SRDJGOZEFUQULF-UHFFFAOYSA-N 342.445 4.473 0 40 EIAB Nc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCCCC3 6276456 BQVARZVRHRCHEV-UHFFFAOYSA-N 343.496 4.164 0 40 EIAB CCn1cc([C@H](C)NC(=O)/C=C/c2cccc3ccccc23)c(C)n1 6490256 CGOQJFPFXOQMKR-LHNRBYRGSA-N 333.435 4.255 0 40 EIAB Cc1cc(-c2csc(-c3cccs3)n2)c(C)n1-c1ncn[nH]1 7844712 ULAMJRFTTWNKLV-UHFFFAOYSA-N 327.438 4.064 0 40 EIAB COc1cc(C)c(NC(=O)c2ccc(CSC)cc2)cc1OC 7983742 YJJPFABIIHLBTG-UHFFFAOYSA-N 331.437 4.128 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 8033965 RAXOHPYTWJPTPZ-LBPRGKRZSA-N 333.790 4.319 0 40 EIAB CCOCCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 8253171 FASMFEVSVFUZQK-UHFFFAOYSA-N 343.467 4.099 0 40 EIAB Cc1csc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 10555418 PGGRLXICBAUIEU-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc(C(C)C)cs1 10636629 WKAUMZVXECKNLM-UHFFFAOYSA-N 340.880 4.333 0 40 EIAB Cn1cc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cn1 12186580 FACFPZPLWYCIID-MRXNPFEDSA-N 342.468 4.254 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccncc1 12514403 AKFRJZKABXWARA-UHFFFAOYSA-N 327.387 4.342 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1F 12773947 QLJMGQZDONRQKK-UHFFFAOYSA-N 340.398 4.059 0 40 EIAB Cc1ccc([C@H](NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 12781753 LDMCBVUDMMNGAA-IBGZPJMESA-N 348.450 4.202 0 40 EIAB CCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1OC 12797335 HCOAAUOYXWASLM-UHFFFAOYSA-N 342.420 4.264 0 40 EIAB CCOc1cc(/C=C/C(=O)NC(C)(C)CC)cc(Cl)c1OC 12946381 BZJHMTXJTOHTTG-CMDGGOBGSA-N 325.836 4.065 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1C 13668857 QUIRLMJNSVCAFK-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(Cl)c2)c1 13669489 VEGWTCSRXXKWCZ-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccncc2C)cc1 19239552 WHHIBUCIOMXLPE-CMOCDZPBSA-N 336.479 4.461 0 40 EIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCCC1)C3 19519987 OWBNYPVAUZZCFG-UHFFFAOYSA-N 326.396 4.281 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)SCc1ccccc1 22904589 MVDKELWQFPVIBN-GJZGRUSLSA-N 329.465 4.194 0 40 EIAB CCCOc1c(Cl)cc(/C=C2\SC(=S)N=C2O)cc1OC 23642255 XBZSTWMMGOEFLB-XFFZJAGNSA-N 343.857 4.467 0 40 EIAB CC[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 24255874 HLQHTTPDBNJYEQ-MRXNPFEDSA-N 348.899 4.027 0 40 EIAB CC(=O)c1c(C)cc(C)c(CN2CCO[C@H](c3ccccc3)C2)c1C 29534490 FUGUQYUMZOEHFL-NRFANRHFSA-N 337.463 4.388 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 29773759 RRTUVVWVRGYOTH-CQSZACIVSA-N 347.455 4.335 0 40 EIAB CCN(C(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1C 32753819 UQEMBSWEDOSQFI-UHFFFAOYSA-N 328.437 4.072 0 40 EIAB CN(C)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 32781224 OKWISOZSPZFHOC-INIZCTEOSA-N 337.250 4.026 0 40 EIAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1 32915519 NHKOCAGXJABOAS-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC[C@@H]3CCCO3)n2)cc1 36613416 QULQWOFFYLMUCO-ZDUSSCGKSA-N 337.345 4.062 0 40 EIAB COc1cccc2c1N(C(=O)c1cc3c(s1)CC[C@H](C)C3)CCC2 36754934 RATANIOLFNYHAO-ZDUSSCGKSA-N 341.476 4.475 0 40 EIAB CC(C)N(C)Cc1ccccc1CNC(=S)Nc1ccc(F)cc1 36847612 HCBJVIKPDJRKQH-UHFFFAOYSA-N 345.487 4.153 0 40 EIAB CCc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1 38704119 CLDGNEIKUTURHE-UHFFFAOYSA-N 335.407 4.214 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1 44935900 LZZHYFKUJMPRAY-FQEVSTJZSA-N 333.435 4.121 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](c2cccs2)C(C)C)on1 44967134 KNVKCKOOFRLKSB-CJNGLKHVSA-N 333.457 4.288 0 40 EIAB Cc1csc(CNC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 48342133 OTFXJRRFQILWHE-NHYWBVRUSA-N 345.468 4.042 0 40 EIAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1ccccc1Cl 48367777 FMCBJOWCWJLWOQ-UHFFFAOYSA-N 332.831 4.316 0 40 EIAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354041 DUUJLRPWGHKZQG-UHFFFAOYSA-N 349.789 4.145 0 40 EIAB Fc1ccc([C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 51375982 AZCBIPBUGWYUDY-INIZCTEOSA-N 340.427 4.076 0 40 EIAB COc1ccc2cc3c(nc2c1)O[C@@H](C)CN(Cc1ccccc1)C3 57712459 AVBVHOVBQBIGDY-HNNXBMFYSA-N 334.419 4.027 0 40 EIAB CCCCc1nc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)s1 58406839 XVFWMSCHMGTKNT-UHFFFAOYSA-N 332.513 4.493 0 40 EIAB CC(C)[C@H](C)N(C(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CC1 67687018 YDVBGAMAECFHIE-HNNXBMFYSA-N 348.450 4.045 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)c2cccc3c2ccn3C)cc1C 69740626 BZZFRBJMEBNUSF-UHFFFAOYSA-N 335.407 4.088 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 71899782 AMBIGCJMTOLXGJ-LBPRGKRZSA-N 337.379 4.221 0 40 EIAB CC[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1 72040416 KOSPZXULBMLCBE-OAHLLOKOSA-N 346.843 4.265 0 40 EIAB O=C(c1nc2ccccc2s1)N(CCc1cccs1)C1CC1 75154792 LRFMOQRJYRUKCZ-UHFFFAOYSA-N 328.462 4.205 0 40 EIAB CCCCN(CC)Cc1cccc(CNC(=O)Nc2cccnc2)c1 79075987 BSZFYPZSGCNYLE-UHFFFAOYSA-N 340.471 4.025 0 40 EIAB O=C(CC1CCCC1)OCc1nc2cc(C(F)(F)F)ccc2o1 84452313 WVSHRJMEXQLQFL-UHFFFAOYSA-N 327.302 4.470 0 40 EIAB C[C@@H](CCc1ccccc1)OC(=O)c1ccc2nc(N)sc2c1 84638197 XKAZYCCMAXBNTB-LBPRGKRZSA-N 326.421 4.057 0 40 EIAB CCOc1ccc(CNc2nc3cc(F)ccc3n2CC)cc1OC 95943695 IYUIXGWNICVRMM-UHFFFAOYSA-N 343.402 4.215 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccccc2)nc(N2CCCCCC2)n1 96192465 KVVNWDBIDUXCMQ-UHFFFAOYSA-N 338.455 4.233 0 40 EIAB Cc1c(C)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c(=N)c12 101400380 RAONVERGKMUJMS-UHFFFAOYSA-N 342.446 4.031 0 40 EIAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 169306136 IYWXNCONOXNVSJ-HNBVOPMISA-N 329.399 4.055 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 222763574 BQDSGSRYHKVSHC-HNNXBMFYSA-N 339.435 4.370 0 40 EIAB C[C@H](NC(=O)COc1ccccc1F)c1ccc(C(C)(C)C)cc1 222775477 JDINAIQDMCANMN-AWEZNQCLSA-N 329.415 4.379 0 40 EIAB C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc2c(c1)CCC2 223249197 PQGRSQYQPYYKRT-INIZCTEOSA-N 349.474 4.310 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C)c1C 223433737 RPSSCMPZABDVTM-UHFFFAOYSA-N 341.885 4.480 0 40 EIAB Cc1nc([C@H](N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 527688060 MZDJWFBRNZDUQC-YKVXOKOOSA-N 331.847 4.145 0 40 EIAB CC(C)c1nocc1-c1nc(-c2ccccc2OC(F)(F)F)no1 528096870 VGTZIEQCJYIIEH-UHFFFAOYSA-N 339.273 4.414 0 40 EIAB CCCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(Cl)nc1 1565524708 TZXSDHVCJNQRFN-UHFFFAOYSA-N 346.843 4.187 0 40 EIAB Cc1ccc(Cl)c(-c2[nH]c(C=O)nc2Br)c1Cl 1857794866 OHBZCZZWHNHKRV-UHFFFAOYSA-N 334.000 4.267 0 40 EIAB CS[C@@H]1CCCC[C@]1(O)CSc1nc2ccccc2s1 33352 OXHBWMPKGGPMAO-HIFRSBDPSA-N 325.524 4.425 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1Cl 367766 WIFIAZZPAWXUQM-UHFFFAOYSA-N 326.179 4.350 0 40 EIAB Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2)o1 386072 CVFGJTYKZXAIKS-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccnc3)ccc12 521231 BDQPAXMECAMFQZ-UHFFFAOYSA-N 346.415 4.193 0 40 EIAB CC[C@H](C)OC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 542162 MXHWYMCDLGFBJF-NEPJUHHUSA-N 340.427 4.093 0 40 EIAB CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl 1018174 DGPZZJWXSCTRCP-UHFFFAOYSA-N 327.815 4.432 0 40 EIAB CCN(CC)CCOC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1590172 UGCJISLPJOSPBH-UHFFFAOYSA-N 338.757 4.249 0 40 EIAB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 1621903 CIAOQAUAMGXMOH-WOJBJXKFSA-N 327.383 4.127 0 40 EIAB CCc1cccc(NC(=O)c2cc(OC)ccc2Br)c1 3473034 ABYMMIRVKLUSEQ-UHFFFAOYSA-N 334.213 4.272 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)C[C@H]2C)c1 3534326 LKRAROZKGYJCDM-GOSISDBHSA-N 344.458 4.499 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2SC)cc1 5443603 SQIRNKARQZZYGP-UHFFFAOYSA-N 329.421 4.019 0 40 EIAB CC(C)C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5613922 XLDDBZFSURLRJG-KRWDZBQOSA-N 326.396 4.034 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(C)cc2)c1 8097691 FYBFXLAMVGRINE-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1C 8499990 WXZZZIWTEPPRMT-HNNXBMFYSA-N 333.815 4.453 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3C)ccc21 9136674 HQDSKQDIHHERQJ-UHFFFAOYSA-N 336.435 4.327 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)cc1 9227156 MMRUMIHJFNORQF-UHFFFAOYSA-N 337.448 4.274 0 40 EIAB COc1ccc(-c2nc(CC(=O)NC3CCCCCC3)cs2)cc1 9450082 UDBXQTYYNNQJGY-UHFFFAOYSA-N 344.480 4.200 0 40 EIAB COc1ccc2oc(C(=O)Nc3cc(C(C)(C)C)nn3C)c(C)c2c1 9479799 NENXOLCPGLUHKT-UHFFFAOYSA-N 341.411 4.033 0 40 EIAB Cc1cc(C)cc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 11752829 MGUDDHHQCQMLLE-FPOVZHCZSA-N 334.463 4.060 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)c1 12780946 SUKMQSIAWGZFEQ-QHSLDKKCSA-N 337.419 4.081 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccc(F)cc12 13719591 LFPCNCIIVQXCMZ-UHFFFAOYSA-N 349.409 4.080 0 40 EIAB Cc1ccc(CN2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1 13945735 XEDJJHNVACNXON-NRFANRHFSA-N 340.511 4.214 0 40 EIAB Cc1ccccc1-c1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 14166329 SGZIUMFXSLKWJQ-UHFFFAOYSA-N 337.448 4.350 0 40 EIAB C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccc(F)cc1 14775004 CWOAGYSGNPOVFW-LLVKDONJSA-N 343.789 4.360 0 40 EIAB O=C(Nc1cccc2ccccc12)c1cccc(N2CCCC2=O)c1 18077246 VDWJONVFTDXSQS-UHFFFAOYSA-N 330.387 4.219 0 40 EIAB CCCc1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 19923007 UZDHZQPLRGURKV-UHFFFAOYSA-N 334.448 4.256 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20040886 DQOGQKLGIKPHLS-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(F)cc1 20459268 IFBVUFGNHRZUEF-INIZCTEOSA-N 343.442 4.465 0 40 EIAB CCc1c(C(=O)Nc2cc(C)ccn2)cnn1-c1cccc(Cl)c1 24567667 NZUYGDYBZXIUQD-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 25601382 LYVRAMUVXBZVOR-NSHDSACASA-N 340.320 4.134 0 40 EIAB Cc1cc(C)n(CCC(=O)Nc2ccccc2Cc2ccccc2)n1 27969152 DNBGPWPCDCEBTK-UHFFFAOYSA-N 333.435 4.120 0 40 EIAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccccc3)N(C)C)oc2c1 28291345 DMTWTLDRJMRJPY-GOSISDBHSA-N 336.435 4.082 0 40 EIAB C[C@H]1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)C1 29509793 IKRBDGXMXFLLST-ZDUSSCGKSA-N 346.521 4.200 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(NC(C)=O)c1 30758280 PUACQDMXSTTXHK-SFHVURJKSA-N 340.423 4.058 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc2ccccc2c1 30853099 YCAZZDZMANZKBK-INIZCTEOSA-N 349.430 4.274 0 40 EIAB Cc1oc(C)c(C(=O)OCC(=O)c2oc3ccccc3c2C)c1C 31690189 YSMOAJOHZCDPKH-UHFFFAOYSA-N 326.348 4.299 0 40 EIAB O=C(COc1ccc(Cl)c2ccccc12)Nc1ccccc1O 32855805 CTMVUHNVYFUJKP-UHFFFAOYSA-N 327.767 4.216 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 32914215 QESPPESNOULDFD-CXAGYDPISA-N 345.402 4.082 0 40 EIAB CC(C)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 34532439 RVBSKDCINWYUOU-UHFFFAOYSA-N 326.827 4.297 0 40 EIAB C[C@@H](OCCCNC(=O)c1ccc2ncsc2c1)c1ccccc1 40050733 XJSLTEHWWJNQRN-CQSZACIVSA-N 340.448 4.194 0 40 EIAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2)N1Cc1ccccn1 40485854 YWVGUMMGUWSWHA-FQEVSTJZSA-N 342.398 4.134 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(OC)cc1 44905175 QMKCHAQWWGZHOE-YJBOKZPZSA-N 327.424 4.038 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 44910363 GXOYKXUQJNEAOQ-AWEZNQCLSA-N 337.448 4.368 0 40 EIAB CN(Cc1ccco1)C(=O)Nc1cccc(COCc2ccco2)c1 47602770 QGMUWUUKPZSQGO-UHFFFAOYSA-N 340.379 4.253 0 40 EIAB CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nccs1 48976789 FYFHMUFEINDGCA-UHFFFAOYSA-N 341.870 4.258 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2Cl)o1 49548103 UZVYPWLUGNKPRV-LLVKDONJSA-N 327.771 4.457 0 40 EIAB CC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(C(=O)O)c3)n2)c1C 58342864 MJZAEPAGNOCFCD-UHFFFAOYSA-N 340.404 4.323 0 40 EIAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1cccc(Cl)c1)CC(O)=N2 71280180 ZUQMFEDSWRFCAV-CYBMUJFWSA-N 331.803 4.069 0 40 EIAB Cc1nc([C@H](C)NC(=O)NCc2cccc(C(F)(F)F)c2)cs1 71886628 FUHQVSUNDSNBFR-VIFPVBQESA-N 343.374 4.031 0 40 EIAB O=C(CCn1ccc2c(Cl)cccc21)NC[C@H]1C[C@@H]2C=C[C@H]1C2 72405234 OAUQYNNDDHBWLQ-QLFBSQMISA-N 328.843 4.013 0 40 EIAB CCCCn1c2ccc(C(=O)OC)cc2c2cc(C(=O)OC)ccc21 73634157 VFRZWFOUNQBJCH-UHFFFAOYSA-N 339.391 4.168 0 40 EIAB CCOC(=O)[C@@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1 95917915 KBTNNTIUTQHWSW-KRWDZBQOSA-N 333.790 4.146 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[C@H]1c1ccccc1 96405406 DOMMBJTYHAWKDR-MOPGFXCFSA-N 346.430 4.194 0 40 EIAB Cc1ccc(Cn2c(=S)[nH]c3c(sc4ncccc43)c2=O)cc1 101275616 PWQINSVOADEXCU-UHFFFAOYSA-N 339.445 4.026 0 40 EIAB O=C(CCSc1ccccc1)N1CCS[C@@H](c2ccco2)CC1 207010430 IGHJXANGSWDLDY-QGZVFWFLSA-N 347.505 4.469 0 40 EIAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccccc1Br 216952621 RCPKFJWBBHXMBZ-UHFFFAOYSA-N 342.192 4.213 0 40 EIAB Cc1ccc(CCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 224063559 ALUJHRCXULECHZ-UHFFFAOYSA-N 337.448 4.393 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 224411963 VOTPGHJAVHTTNR-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB Cc1ccc(C(=O)NCCSCc2ccccc2F)c(Cl)c1 225002048 PQODTENXKZXYMH-UHFFFAOYSA-N 337.847 4.451 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1cc2cccc(C)c2oc1=O 226035677 NRVPOBAGRRKNMF-UHFFFAOYSA-N 335.403 4.479 0 40 EIAB Cc1cccc2c(C[C@@H](C)NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)c[nH]c12 248339611 TXEHMLKZUFDAAC-YCEFEEMOSA-N 334.463 4.126 0 40 EIAB CC(C)c1cc(C(=O)N2CCC[C@@H]2CCCO)c(O)c(C(C)C)c1 305782026 AFHYOEXTBZYCIJ-MRXNPFEDSA-N 333.472 4.016 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1 408558369 QYXZBXOPTZZXQW-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB c1ccc(-c2ccccc2OCc2nnc([C@H]3CCCOC3)o2)cc1 521393753 XSFASBUKZIEUDP-INIZCTEOSA-N 336.391 4.210 0 40 EIAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc(F)c(F)c1 585146738 JZGRXUOYNQNYSE-GFCCVEGCSA-N 333.359 4.181 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2o1 585148337 ZYPKYDDCXHHLQG-KRWDZBQOSA-N 347.370 4.156 0 40 EIAB c1cc(C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n2ccnc2c1 585182559 QLOWKAWBOCAMKE-UHFFFAOYSA-N 330.435 4.195 0 40 EIAB O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC1CC1 1481 OFVXPDXXVSGEPX-UHFFFAOYSA-N 342.801 4.073 0 40 EIAB in-man CCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C 31398 DRQJSDYVORTCEY-QRWLVFNGSA-N 336.435 4.316 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Oc1ccc(-c2csnn2)cc1 106884 GMRDGQYAOGPVRN-UHFFFAOYSA-N 331.784 4.469 0 40 EIAB CC(=O)O[C@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl 164089 LLWNYVYENGFZJG-SECBINFHSA-N 346.435 4.424 0 40 EIAB CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C 1530768 XLMALTXPSGQGBX-XMSQKQJNSA-N 339.479 4.276 0 40 EIAB biogenic,world O[C@H](COCc1ccccc1)Cn1c2ccccc2c2ccccc21 2275623 YORFMQKZZOXAJH-SFHVURJKSA-N 331.415 4.372 0 40 EIAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)c1 2917496 CFJGWYQNBVQKGC-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)c1ccccc1 3443464 IVHOUIBBAVNOSS-AWEZNQCLSA-N 348.398 4.279 0 40 EIAB O=C(NCc1cccs1)c1cc(-c2ccco2)nc2ccccc12 3444768 MYYDDKQZFMVXQN-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CC(C)N(C(=O)Nc1ccc(F)c(Cl)c1)C1=NC[C@@H](C)S1 4016195 DDFPKRRURYYPNA-SECBINFHSA-N 329.828 4.213 0 40 EIAB Cc1cc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2n1C 4061517 WHUPFKKIDRXTBF-UHFFFAOYSA-N 330.790 4.209 0 40 EIAB C=C=Cn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 4426948 BECNZLSJJFKXMU-QGZVFWFLSA-N 343.430 4.375 0 40 EIAB CCCCc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 4616403 MZEJXZUOGZZVDN-UHFFFAOYSA-N 327.424 4.228 0 40 EIAB biogenic COc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)nc1 5268847 OMCDOKSQEKUOGO-UHFFFAOYSA-N 346.858 4.355 0 40 EIAB COc1ccc(CCN(C)C(=O)Nc2ccc(Cl)cc2)cc1OC 5525287 PACLRSBFWXHCCY-UHFFFAOYSA-N 348.830 4.064 0 40 EIAB CC(=O)c1sc(NC(=O)/C=C/c2ccco2)nc1-c1ccccc1 5607653 QIDPEFSQDDNKOB-MDZDMXLPSA-N 338.388 4.258 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(Br)cc1Cl 6260099 VDJDBEIDFKNRDV-UHFFFAOYSA-N 340.604 4.120 0 40 EIAB COc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1 7369170 ZCNFMDCDENPBDE-UHFFFAOYSA-N 346.521 4.223 0 40 EIAB Cc1cc(C)c2c(-c3ccccc3)nc(SC[C@H]3CCCO3)n2n1 8131008 VOKJNAQHNFXITO-MRXNPFEDSA-N 339.464 4.284 0 40 EIAB Nn1cc(-c2ccccc2)nc1SCc1cccc2cccnc12 10618684 UZMFETPCKICNHO-UHFFFAOYSA-N 332.432 4.104 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)C1CCCC1 12417699 LJPARTXWZLDCFR-GASCZTMLSA-N 328.456 4.218 0 40 EIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCCC3)c12 12795598 YFXJRHCLPTZGLO-UHFFFAOYSA-N 339.370 4.010 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1C 12866056 OXXLARJWKALBIS-CYBMUJFWSA-N 334.419 4.478 0 40 EIAB COc1ccc(C)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 13097530 WFVOTAVMQIWTFL-GDNBJRDFSA-N 327.767 4.002 0 40 EIAB COC(=O)c1ccc(/C=C/c2nc3ccc(OC)cc3s2)cc1 13141410 GHDHQANVVUBXRM-BJMVGYQFSA-N 325.389 4.262 0 40 EIAB Cc1cc(Oc2cc(Cl)c(Cl)cc2Cl)n2ncnc2n1 14248381 UNWJGSHBRQINMG-UHFFFAOYSA-N 329.574 4.185 0 40 EIAB Fc1ccc(CNc2ccc(I)cc2)cc1 20360961 DHUBAHJOGTTXTR-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 20531082 PUVJTQFSKWOQGF-HXUWFJFHSA-N 342.398 4.022 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 21875542 VIBFWOKNIWHBBN-XJKSGUPXSA-N 342.464 4.309 0 40 EIAB O=C(CCN(Cc1ccco1)C1CC1)Nc1ccc(Cl)cc1F 23186318 OERBKOSJEZOAIC-UHFFFAOYSA-N 336.794 4.065 0 40 EIAB Cc1cccc(-n2ccnc2SCc2noc(-c3ccco3)n2)c1 24046737 QWLNJSXTSAMIJR-UHFFFAOYSA-N 338.392 4.116 0 40 EIAB COc1ccccc1NC(=O)CCN(C)Cc1ccc2ccccc2c1 25679500 FJJLBJJIRRMJGL-UHFFFAOYSA-N 348.446 4.309 0 40 EIAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCc1ccccn1 29517029 UUTSPBNOAIIKQA-RMKNXTFCSA-N 338.354 4.023 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)sc1C 32865221 DNRIHNQWRLLVQW-HNNXBMFYSA-N 343.448 4.113 0 40 EIAB Cc1cccc(CN2CCC(C(=O)NC3CCCCCCC3)CC2)c1 39761378 ZEODZAANYKGEDW-UHFFFAOYSA-N 342.527 4.436 0 40 EIAB Cc1ccccc1CN(C)C(=O)c1cc(C2CC2)nn1C(C)(C)C 40119996 FAGZOFTYTWBAQO-UHFFFAOYSA-N 325.456 4.096 0 40 EIAB COc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478260 BZKYBGZXVQCEPQ-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 44899794 OSXJXWWXEZGFBS-CQSZACIVSA-N 341.407 4.003 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC1CCCCC1 44899817 FEHBCGQKWUSUAK-ZDUSSCGKSA-N 341.904 4.289 0 40 EIAB O=C(CCCc1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 46576027 VYHSWSHGBIRCSX-UHFFFAOYSA-N 336.410 4.215 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@H]1CCCc2ccccc21 48201777 FADGPLIBQVIEAG-IBGZPJMESA-N 345.402 4.328 0 40 EIAB CCCCCC(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1 65565768 LHDNJDGMPKOZHI-OAHLLOKOSA-N 335.398 4.259 0 40 EIAB CCCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 67261441 MIBNOVLFDOTLCZ-UHFFFAOYSA-N 337.814 4.420 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(Cl)c1 67945257 HAOFFIMVXGKEHK-GJZGRUSLSA-N 328.799 4.041 0 40 EIAB COc1ccccc1-c1nccn1[C@@H](C)c1cnn(-c2ccccc2)c1 71575305 RVECSXDZPBQLNS-INIZCTEOSA-N 344.418 4.354 0 40 EIAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2)cn1)C1CCCC1 72215545 FFOSLGZVQSGEDC-MRXNPFEDSA-N 331.460 4.190 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 75106622 UBTPKXWOYIAHBL-CABCVRRESA-N 335.856 4.130 0 40 EIAB CC(C)c1nnc(COc2ccc(Cl)cc2Br)o1 84631270 JDAAIGYCKQADIS-UHFFFAOYSA-N 331.597 4.188 0 40 EIAB Fc1cccc(F)c1-c1nc(COc2ccc3nccnc3c2)co1 89758482 UJXZUTYQQMLPOV-UHFFFAOYSA-N 339.301 4.142 0 40 EIAB CSc1ccsc1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 89761817 LLEYSCPGRBJPFG-AWEZNQCLSA-N 349.521 4.002 0 40 EIAB CCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCSc2ccc(Cl)cc21 95423697 CLJPYLSYYQAALQ-ZIAGYGMSSA-N 348.903 4.156 0 40 EIAB CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)C[C@@H]1c1ccccc1 95949317 NWJLNVFAXMBHQY-HXUWFJFHSA-N 336.479 4.347 0 40 EIAB CCc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 95949510 BSPUWOIIIUVLMP-IBGZPJMESA-N 338.451 4.091 0 40 EIAB CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cn1 96413141 VNFWHAXVXKVAPT-UHFFFAOYSA-N 332.684 4.170 0 40 EIAB C[S@@](=O)c1cccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 96413416 NMSCTQDTHASPSK-FYSMJZIKSA-N 346.452 4.166 0 40 EIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1cccc3ccccc13)n2C 100811993 GYXHHQWHWGPSPM-QZQOTICOSA-N 332.428 4.443 0 40 EIAB COCCn1c(-c2ccccc2)cs/c1=N/c1ccc(F)cc1 100950096 DQZLNSQHJAHZBO-CZIZESTLSA-N 328.412 4.235 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102600995 KRBRJHDNAYUDKD-DRMAHVMPSA-N 329.484 4.304 0 40 EIAB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(O)C[C@H](C)CC1=N2 102602521 IRZBQEJIIHYIIU-ABKXIKBNSA-N 328.803 4.157 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2ncc[nH]2)c1 103966561 KLXIVJCKFNSYIB-UHFFFAOYSA-N 329.762 4.050 0 40 EIAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)CCc1ccccc1 222807444 VRLFZJGYCIWGJY-KRWDZBQOSA-N 325.452 4.326 0 40 EIAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 225185091 HZEWEJJPURCIII-QGZVFWFLSA-N 336.479 4.019 0 40 EIAB CC(C)Oc1cccc(NC(=S)N[C@@H](C)COc2ccccc2)c1 225783915 YSOFCRBPHWLXHX-HNNXBMFYSA-N 344.480 4.228 0 40 EIAB COC(=O)c1cc(C(F)(F)F)cc(Cl)c1C(=O)OC(C)(C)C 261507973 OLYPQFRQQFSXFS-UHFFFAOYSA-N 338.709 4.101 0 40 EIAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)C(C)C)cc3cc21 575473233 PFRTVFDVYJBQAD-UHFFFAOYSA-N 325.408 4.263 0 40 EIAB Cc1ccc2sc(C(=O)N3CC[C@@]4(CCCOC4)C3)c(C)c2c1 606446285 OKXKUWMJXVCIJH-IBGZPJMESA-N 329.465 4.161 0 40 EIAB O=C(Nc1ccc(-c2nncs2)cc1)c1ccc(F)c2occc12 1538748986 KQUJSKUFFPTUJK-UHFFFAOYSA-N 339.351 4.343 0 40 EIAB Cc1cccc(-c2noc([C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)n2)c1F 1615553265 WDKKOTQAZVNGDG-KKOKHZNYSA-N 342.292 4.007 0 40 EIAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1 508091 QSUMFXRGARKFJL-HNNXBMFYSA-N 345.402 4.169 0 40 EIAB Cc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 530392 ZJTQSJOWJXJZBB-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 532372 XTNSUIXMUFGCEB-UHFFFAOYSA-N 332.432 4.104 0 40 EIAB Cc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1ccco1 884392 JLVOMOTUKJDCMW-UHFFFAOYSA-N 338.338 4.232 0 40 EIAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)n1 1008628 RRDSLQLMVIKMJR-OQLLNIDSSA-N 344.823 4.280 0 40 EIAB CCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)cc1 1235778 NVFWGGZNRFUKEK-WJDWOHSUSA-N 341.388 4.032 0 40 EIAB COc1ccc(-c2nc(-c3cc(C)nc4ccccc34)no2)cc1OC 1426595 OTMQLAGTRPRTNH-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB CCc1ccc(CN(C)C[C@H](O)COc2cccc3ccccc23)cc1 2644539 YZFWDYAPPWGHIE-NRFANRHFSA-N 349.474 4.274 0 40 EIAB CCCSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC 2645477 LXTHGVVBHLEHCE-UHFFFAOYSA-N 340.448 4.205 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 3330296 NMXMCFIYNIOTDX-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB S=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccccc1Cl 3336565 RFPSUSUMEUNPRC-OAHLLOKOSA-N 349.887 4.057 0 40 EIAB C[C@H](COC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1)CN1CCCC1 4410995 LOROOXLFVZBGQW-JBACZVJFSA-N 341.495 4.402 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)c1ccccc1Cl 4986764 ZWBJXKXULVJBON-SNVBAGLBSA-N 348.834 4.305 0 40 EIAB O=C(OCc1ccccc1Br)c1cc2ccccc2[nH]1 6646539 VFNZSTAWCZYKON-UHFFFAOYSA-N 330.181 4.287 0 40 EIAB CC(C)(C)CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 6836381 HEBRMCUKYDPPDU-UHFFFAOYSA-N 339.461 4.344 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N2CCCCC2)cc1 7505014 SSLDTWJFGUXNMF-SFHVURJKSA-N 336.479 4.428 0 40 EIAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc43)cc(C3CC3)nc21 7986833 LRSLZIJXXVBVRB-UHFFFAOYSA-N 346.434 4.093 0 40 EIAB C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccn1 8393838 CVJYKXXBWAHORG-GFCCVEGCSA-N 336.416 4.194 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1cccc2cccnc12 8404513 NQLLEAULZJMEQL-UHFFFAOYSA-N 329.403 4.010 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n(CC(C)C)c1C 8478950 LBOREKRMPXYMMC-AWEZNQCLSA-N 349.475 4.414 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc3cccnc23)cc1 8728959 CTIAZGULWFFLDQ-UHFFFAOYSA-N 348.402 4.235 0 40 EIAB COc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1OC 8924100 ABMITYKREQBYCJ-UHFFFAOYSA-N 346.235 4.002 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccnc2Cl)cc1 9064453 QUGSKNPMFCIZNQ-CYBMUJFWSA-N 329.831 4.366 0 40 EIAB O=C(Cc1csc(-c2cccs2)n1)NCCCc1ccccc1 9114587 RUMRYJSHPLFRFQ-UHFFFAOYSA-N 342.489 4.163 0 40 EIAB Cc1nnc(SCCOc2ccccc2)n1-c1ccc(Cl)cc1 9296234 RKSQYDRQDWDUKQ-UHFFFAOYSA-N 345.855 4.400 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2cccc(F)c2)cs1 9337728 PQFIJZWLVGUFDC-UHFFFAOYSA-N 345.399 4.125 0 40 EIAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c(F)c1 9677632 PKOUEBQQGUCTRJ-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB C[C@H]1C(=O)Nc2ccc(-c3csc(NCc4ccco4)n3)cc21 9690583 DOMRIKOOTLUDAE-SNVBAGLBSA-N 325.393 4.071 0 40 EIAB COc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 9690704 UZQWMIMTTCJANI-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(F)cc1F 10034795 OOWLIEONIHOIKR-VIFPVBQESA-N 333.363 4.457 0 40 EIAB Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccno3)sc2c1 10254156 LWOWZMJHDHYEKZ-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1C 11052255 ZCUVXAJVOXPXFX-CQSZACIVSA-N 337.419 4.319 0 40 EIAB CCN(c1ccc(NC(=O)/C=C/c2csc(C)n2)cc1)C(C)C 11330072 RBOYKBZELYXWHF-DHZHZOJOSA-N 329.469 4.338 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC1CCCCC1)CC3 12322081 PRHBFGSQFCBWDE-UHFFFAOYSA-N 326.440 4.032 0 40 EIAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1c(=O)oc2ccccc21 14105299 MKHUEBLTRRLKJG-ZDUSSCGKSA-N 338.407 4.092 0 40 EIAB O=C(OCc1csc(-c2ccsc2)n1)c1ccnc(Cl)c1 14200767 JGZOQNAWGJUERG-UHFFFAOYSA-N 336.825 4.277 0 40 EIAB COC(=O)[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 15504566 LLWNZNVWUOBCEB-FQEVSTJZSA-N 338.451 4.249 0 40 EIAB COc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(F)c1 16973736 KPRISITZGBHTBD-UHFFFAOYSA-N 327.359 4.065 0 40 EIAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccoc1 18185001 XIADHXPJYCJLIK-UHFFFAOYSA-N 334.091 4.313 0 40 EIAB O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccncc2)cc2ncccc12 19345339 KCTFVQANDWDLOF-FQEVSTJZSA-N 349.340 4.052 0 40 EIAB Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27661955 VYIYRELLMNMUOL-LJQANCHMSA-N 342.870 4.215 0 40 EIAB O=C(NCc1ccccc1)c1ccc(COc2ccc3c(c2)CCC3)o1 28229734 NJXMMTFZPWVSKV-UHFFFAOYSA-N 347.414 4.277 0 40 EIAB CCCn1c2c(c(SCc3ccccc3Cl)nc1=O)CCC2 28286768 MWPCWKLSEHOXBD-UHFFFAOYSA-N 334.872 4.088 0 40 EIAB Cc1cc(NC(=O)c2ccccc2Cl)n(-c2ccc(F)cc2)n1 28306320 KZTSKIUTUDTMLQ-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB O=C(c1cc2c(F)cccc2s1)N1CCC[C@@H]1c1cccnc1 29296096 IBMIKXLBFHQJFI-OAHLLOKOSA-N 326.396 4.413 0 40 EIAB CCn1nc(C)c2c(C(=O)Nc3cccc4ccccc34)cc(C)nc21 32611517 JHQJOGTZKJBVQY-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 32862225 GROMLPAHAKLVHF-UHFFFAOYSA-N 345.446 4.179 0 40 EIAB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)NC2=S)cc1 33517981 VIMAWNUZRXXTCS-LDADJPATSA-N 336.460 4.381 0 40 EIAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(C)(C)C 36390513 SDDYUTYBFAEAHK-UGSOOPFHSA-N 325.408 4.151 0 40 EIAB Cc1nc(/C=C/C(=O)Nc2ccc3oc(C(C)C)nc3c2)cs1 40081707 KDMFKORIQDIKRA-FNORWQNLSA-N 327.409 4.368 0 40 EIAB COc1cccc(NCc2n[nH]c(=S)n2-c2cccc(C)c2C)c1 40163742 DDGTVFGFZSCSRG-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2ccccc2F)C1 40285604 XEZZUGQUSITXOR-LBPRGKRZSA-N 343.308 4.413 0 40 EIAB C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 40480035 NFLXCESPLJYFDL-AWEZNQCLSA-N 344.405 4.052 0 40 EIAB CCCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210428 UKCSOQRGMKYVOP-UHFFFAOYSA-N 332.421 4.203 0 40 EIAB O=C(Nc1cccnc1N1CCCC1)N1CCC[C@@H]1c1ccsc1 44952022 BQKPRYZTPACPOY-MRXNPFEDSA-N 342.468 4.112 0 40 EIAB Cc1[nH]c2ccccc2c1C1CCN(Cc2ncc(Cl)n2C)CC1 52464095 MSWHXGNHDFVVEG-UHFFFAOYSA-N 342.874 4.243 0 40 EIAB Cc1nc(C)c([C@H](C)NC(=O)N2CCc3sccc3[C@@H]2C)s1 57283653 OFZPNYLUYSOSKZ-QWRGUYRKSA-N 335.498 4.211 0 40 EIAB CCCOc1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 58618913 DGMIQXNCOOFMLB-UHFFFAOYSA-N 327.428 4.146 0 40 EIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 59737991 NOXKPNLEZKPKLE-MRXNPFEDSA-N 325.452 4.376 0 40 EIAB O=C(c1c(F)cccc1Cl)N(Cc1ccccn1)Cc1ccco1 61974503 HGKRDKCLEZIVFR-UHFFFAOYSA-N 344.773 4.310 0 40 EIAB O=C(CCc1ccco1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 69811908 NRTFKTBPPXYZJS-HNNXBMFYSA-N 338.407 4.146 0 40 EIAB CCc1nc([C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)no1 72279282 MRBPQSILOBTDTP-SNVBAGLBSA-N 346.740 4.041 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 72329199 XSWHUWSRNYIHFW-AWEZNQCLSA-N 349.434 4.139 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C3CCCC3)n[nH]2)s1 84205719 NTGGBBSJBKFNBK-INIZCTEOSA-N 329.469 4.241 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=O)NCc1ccoc1C 89587269 RCQUFYZKLFMYQI-UHFFFAOYSA-N 337.217 4.289 0 40 EIAB C[C@H](OC(=O)CCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 95468923 BWDJRPHDBVRKQY-RXVVDRJESA-N 337.463 4.073 0 40 EIAB O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCCC[C@H]1c1nccs1 106912718 CFJIZSOFFPKXDY-ZOWXZIJZSA-N 348.418 4.279 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 216311835 YKKOQOZMMZMXJF-ZDUSSCGKSA-N 349.883 4.488 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1Cc1ccc(Br)cc1 216947026 WAZQLSLRHOGKSG-UHFFFAOYSA-N 344.208 4.459 0 40 EIAB Cc1cccc(CSCC(=O)NCCSCc2ccccc2)c1 222735431 UJOVHDSKCIIUQJ-UHFFFAOYSA-N 345.533 4.278 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224145016 ORNBSDMFHHDHDF-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 225446845 PQZLZFMKDVXXRX-UHFFFAOYSA-N 336.407 4.239 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225900769 KEWSYRCRBPPVQB-FOIQADDNSA-N 348.487 4.493 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 244909785 AVHRWXFDQWOCOK-OAHLLOKOSA-N 337.419 4.121 0 40 EIAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc2c1 248382679 XSTKPWRQUPPZCW-LTIDMASMSA-N 339.483 4.053 0 40 EIAB CC(C)N1CCC[C@H](Cc2ccnc(-c3ccccc3C(=O)O)c2)C1 257336589 YPCJMIDPMRPEBM-QGZVFWFLSA-N 338.451 4.110 0 40 EIAB CC(C)n1cc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2n1 524043002 HDIRLUOVHKVSKH-UHFFFAOYSA-N 332.407 4.280 0 40 EIAB Cc1cccc(-c2cccc(CNC(=O)CCc3cccnc3)c2)c1 588629224 SHVVQURKGMIISJ-UHFFFAOYSA-N 330.431 4.306 0 40 EIAB CSc1ncccc1C(=O)NCc1cc(-c2ccoc2)cs1 1888944412 WZEQPCZZKZKVNZ-UHFFFAOYSA-N 330.434 4.055 0 40 EIAB CC[C@H](C)c1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 505056 RDGIWPDOCHQLBQ-ZDUSSCGKSA-N 344.407 4.445 0 40 EIAB O=C(c1cccc2ccccc12)N1CCN(C2CCCCCC2)CC1 1456770 IDEQMOWQNUVOIT-UHFFFAOYSA-N 336.479 4.320 0 40 EIAB CC[C@H](C(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1 3225549 QMIIDENLHDFQLE-IBGZPJMESA-N 339.435 4.165 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C1CCCC1 4305463 BSBIWFUNXFWYGQ-SFHVURJKSA-N 340.492 4.158 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H](C)NC23CC4CC(CC(C4)C2)C3)c(C)c1 4614380 CBTXPJWPSUNNAZ-GSQFEDNKSA-N 340.511 4.497 0 40 EIAB O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C(F)(F)F)cc1 4934817 UNGIRURMSIKRMA-KBPBESRZSA-N 325.374 4.400 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 6649097 LRPRLROGODLAIN-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)c1ccc2c(c1)CCC2 6849704 YXIOJPZGPYCQBU-ZDUSSCGKSA-N 334.444 4.482 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 7069971 YBXUJWXSBQTUGD-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1cccc(Cl)c1Cl 7266092 MBSNTDPBBCEVGM-LBPRGKRZSA-N 343.298 4.263 0 40 EIAB Cc1nc2ccc(C(=O)OCc3ccccc3Cl)cc2nc1C 7557408 WXAWYCAGHHDXCN-UHFFFAOYSA-N 326.783 4.257 0 40 EIAB Cn1cccc1[C@H]1NC(=O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 7660689 ZSTBQKWZKLTCTE-ZBEGNZNMSA-N 343.496 4.092 0 40 EIAB CCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 7915583 ZTBBLSXDMYXGGX-UHFFFAOYSA-N 335.407 4.140 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl 7945328 IQJYUXIQFMEIFM-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 12235651 LOLBICVDZSEBPQ-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB O=C(C[C@H]1C=CCC1)Nc1c(-c2ccc(F)cc2)nc2sccn12 12520732 KDIRDPKPSOMIJE-LBPRGKRZSA-N 341.411 4.497 0 40 EIAB CC(=O)c1c(F)cccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 12582642 DURSXWVBYSANCR-AWEZNQCLSA-N 337.398 4.289 0 40 EIAB O=C(CSc1ccc2ccccc2n1)Nc1c(F)cccc1F 12601629 DAHUVUZZNSQUIC-UHFFFAOYSA-N 330.359 4.244 0 40 EIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1 12872590 ARCYTGOXKPWERF-INIZCTEOSA-N 335.856 4.174 0 40 EIAB CCc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1 12986455 JNRQQVFDNVICKY-UHFFFAOYSA-N 347.443 4.131 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(=O)O)ccc1Cl 13167578 VPLFEMWBWAYXAV-FPYGCLRLSA-N 336.174 4.344 0 40 EIAB Cc1ccc(SCc2cc(=O)[nH]c(Nc3ccc(F)cc3)n2)cc1 13637065 SAXUARIUJFYIAL-UHFFFAOYSA-N 341.411 4.253 0 40 EIAB CSc1ccc(NC(=O)CN2CCC[C@@H]2c2cccs2)cc1 14136501 CFBHGQCBNDIHBV-OAHLLOKOSA-N 332.494 4.246 0 40 EIAB O=C1O[C@@H](C(=O)Nc2ccccc2-c2cccs2)Cc2ccccc21 14704926 XUINEDZIMGVFHH-QGZVFWFLSA-N 349.411 4.135 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 15519678 GGRDZNRKZDXPKJ-AWEZNQCLSA-N 327.449 4.155 0 40 EIAB Cc1c(CN2CCC(N3CCC(C)CC3)CC2)[nH]c2ccccc12 19565900 TWEAGMRMAACABU-UHFFFAOYSA-N 325.500 4.173 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CCCc2ccccc21 20105585 JHGIYWYFRNNCDE-UXHICEINSA-N 339.435 4.046 0 40 EIAB O=C(O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 20138972 JZTPUQXUWHSMRH-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(OC)cc1 23649769 HGLORDDYTBJNKJ-IBGZPJMESA-N 327.424 4.122 0 40 EIAB CCCCn1nc(C)c(C(=O)NCc2ccc(Cl)s2)c1Cl 25520694 AAVIAHFBCWOSCV-UHFFFAOYSA-N 346.283 4.290 0 40 EIAB Cc1cc(C)n(-c2ccc(COc3ccc(-c4nnco4)cc3)cc2)n1 30569648 CSGKOERYLNBBNE-UHFFFAOYSA-N 346.390 4.118 0 40 EIAB COc1cc(/C=C/C(=O)N(CC2CC2)C(C)C)ccc1OC(C)C 32912884 YPHZMMTZLPQZKS-PKNBQFBNSA-N 331.456 4.143 0 40 EIAB COc1cc(C(=O)Nc2ccccc2C2(C)CC2)cc(OC)c1OC 39400722 IVJWPPQWJKJJQV-UHFFFAOYSA-N 341.407 4.016 0 40 EIAB O=C(Cc1nc(-c2ccc(Cl)cc2)cs1)NC(C1CC1)C1CC1 48363330 VMUODAJMRKQTBX-UHFFFAOYSA-N 346.883 4.311 0 40 EIAB CCOc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 57416174 MDGRSDCCZBCPPR-UHFFFAOYSA-N 328.799 4.150 0 40 EIAB Cc1ncc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)s1 58494951 YWFADJFLQJZICG-UHFFFAOYSA-N 337.448 4.149 0 40 EIAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cn[nH]c2C(C)C)c1C 61239789 WNJKVNIUMOZBFL-UHFFFAOYSA-N 328.412 4.018 0 40 EIAB COc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1OC 65015632 QNCAQUVIAMXBPZ-UHFFFAOYSA-N 348.830 4.112 0 40 EIAB Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3cccnc3)n2)n1 72380428 PGKVOPNVNJYRRT-LJQANCHMSA-N 345.450 4.261 0 40 EIAB CNC(=O)c1ccc(CN[C@H](c2cccs2)C2CCCC2)cc1 89391874 IUQOVNJANZPBHI-SFHVURJKSA-N 328.481 4.129 0 40 EIAB COc1ccccc1OCc1ccccc1NCc1cscn1 95428686 HVDCOOXUMWZVQX-UHFFFAOYSA-N 326.421 4.343 0 40 EIAB Cc1cc(C)cc(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 95442117 ZBIPSDTVJSMIKM-INIZCTEOSA-N 346.471 4.279 0 40 EIAB Cc1n[nH]c(C)c1/C=C1\C[C@H](C)Cc2c1nc1ccccc1c2C(=O)O 96256110 VKBDKCLJSLBMPP-IWQAVIMZSA-N 347.418 4.396 0 40 EIAB C[C@H](Sc1ccc(S(C)(=O)=O)cc1)c1ncc(C(C)(C)C)o1 96447713 LIZIHAJIEYHJKM-NSHDSACASA-N 339.482 4.229 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1C=C[C@H]2C1=C1CCCC1 102682210 VFLQXXOFHCXXCN-LAQRGFTBSA-N 339.822 4.132 0 40 EIAB O=C1O[C@@H]2[C@@H]3c4ccccc4[C@H](c4c3cc(F)c3ccccc43)[C@H]2O1 104147682 LUKZZYYFPSQVQH-UAFMIMERSA-N 332.330 4.474 0 40 EIAB Cc1ccc(C)c(NC(=O)CCC(=O)[C@H](C)C(=O)c2ccccc2)c1 104274200 RUSWTKJDTSPYAR-INIZCTEOSA-N 337.419 4.110 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C)CC1 111501225 WMQDXONMVDMYLH-UHFFFAOYSA-N 330.472 4.045 0 40 EIAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccsc1 218561857 JYFFVSYUMMUXNW-UHFFFAOYSA-N 325.418 4.377 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC)c3)N21 222641168 AVGZLDJGSSZSAZ-FHLIZLRMSA-N 339.464 4.070 0 40 EIAB Cc1cc(OCC(=O)NCc2cccc3ccccc23)ccc1Cl 222863960 SSKAMJPZUWFRCZ-UHFFFAOYSA-N 339.822 4.497 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 222951901 RXNNVCSCJVMDDX-ZWKOTPCHSA-N 342.512 4.237 0 40 EIAB CC[C@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)CCCC2 223126197 XUPFMQRNJPBUAZ-IBGZPJMESA-N 341.426 4.351 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881366 AMLGDVTVPGKXQB-LBPRGKRZSA-N 339.313 4.300 0 40 EIAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(F)c(Cl)c1 225782646 BVWCVPNVAQLZQA-NSHDSACASA-N 338.835 4.233 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N)cc1Cl 227157070 GQGLKLHDQMMVMZ-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)c[nH]c12 409138742 HJIDAYOEZAOZLY-NVNXTCNLSA-N 328.437 4.423 0 40 EIAB Cc1ccc(NC(=O)n2ccc(-c3ccc(-n4ccnc4)cc3)n2)cc1 1402344 MIPNUAYDWAOZHA-UHFFFAOYSA-N 343.390 4.124 0 40 EIAB Cc1cccc(SC[C@@H]2CSc3nc4ccccc4c(=O)n32)c1 1405451 QHBCBVHQJYZFAF-CYBMUJFWSA-N 340.473 4.144 0 40 EIAB O=C(COc1cccc(Cl)c1Cl)NCc1ccc(Cl)cc1 1749793 RXIMFWFLWWVNMS-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB Cc1ccc(-n2ncc3c(SCc4ccccc4)ncnc32)cc1 2343958 KCUPTWLUUSVIAU-UHFFFAOYSA-N 332.432 4.416 0 40 EIAB COCCNc1nc(SCc2ccc(F)cc2)nc2ccccc12 2948611 IVKFSOLTNUCDOB-UHFFFAOYSA-N 343.427 4.120 0 40 EIAB COC(=O)CCSc1nc(C)nc2sc(-c3ccccc3)cc12 3298850 HXDXXJJSFFDCRK-UHFFFAOYSA-N 344.461 4.322 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(Cl)c3ccccc23)C1 3325953 PIUGNCLPOQUACE-KBPBESRZSA-N 331.843 4.377 0 40 EIAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 3414239 ZMGWGCZRLILKDW-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1F 4161026 UZZOXFMBHRUQDI-UHFFFAOYSA-N 326.396 4.413 0 40 EIAB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)c1c[nH]c2ccccc12 4332186 UZFNOCXXEHGEBI-LBPRGKRZSA-N 333.343 4.342 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 4496590 RMYDQLWDZUKYOE-UHFFFAOYSA-N 338.885 4.406 0 40 EIAB CCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C 5204020 ZHDRMFCDDOAOHJ-UHFFFAOYSA-N 334.419 4.253 0 40 EIAB Cc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c(C)c1 5714831 DKNMMRJEXIPMEU-UHFFFAOYSA-N 347.414 4.181 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(OC)c2)C1=O 6656690 DABFGICSCWQCGH-PILJQMSFSA-N 349.452 4.319 0 40 EIAB COc1ccccc1CC(=O)Nc1ccc2nc(SC)sc2c1 6839551 IQDGYVHBPMPGCH-UHFFFAOYSA-N 344.461 4.208 0 40 EIAB CC(C)N(CCNC(=O)c1sccc1-c1ccccc1)C(C)C 6851029 ATLJRLJTBUXUHR-UHFFFAOYSA-N 330.497 4.264 0 40 EIAB O=c1c2ccccc2nc(SC[C@H]2CC2(Cl)Cl)n1C1CC1 7861788 KOXKIUNAUUVFIA-SECBINFHSA-N 341.263 4.017 0 40 EIAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)s1 8071438 HNCFWGODASFDRE-UHFFFAOYSA-N 333.482 4.144 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cn1 8194158 NHKVCWNHGPVREL-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB CCOc1ccccc1CSc1nc(-c2ccccc2F)n[nH]1 8231573 JNEAZXZQGRTCSY-UHFFFAOYSA-N 329.400 4.302 0 40 EIAB COCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8469027 DVDTVTUNDSQCJA-UHFFFAOYSA-N 339.410 4.294 0 40 EIAB Cc1nc2cc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)ccc2o1 8706793 ZUVBCHMVPNHXOP-FQEVSTJZSA-N 349.434 4.302 0 40 EIAB CC[C@H](C)Nc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1 10762398 SKNPVVATGWIFDV-JTQLQIEISA-N 346.481 4.205 0 40 EIAB O=C(NC1CC1)[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 11154974 IVXHUADJXVFPDQ-INIZCTEOSA-N 336.769 4.050 0 40 EIAB C/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 12441874 JSOAYBZKPMNTSR-PLNGDYQASA-N 338.436 4.127 0 40 EIAB COc1ccc(Cl)cc1COc1ccc(N2CCCC2=O)cc1 14349488 XIXRTSBBOPJSAU-UHFFFAOYSA-N 331.799 4.054 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cc1Cl 15390560 HUGSVUPYFDBSGS-LBPRGKRZSA-N 345.826 4.243 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)cc2C)cc1 15577762 VTRPUSFWCSLZMF-LJQANCHMSA-N 339.435 4.055 0 40 EIAB Fc1ccccc1CN1CCN(Cc2cccc3ccccc23)CC1 19841238 WHKLOZTUNCGRHM-UHFFFAOYSA-N 334.438 4.297 0 40 EIAB O=Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 22517331 DWKWHGFNVJPEAG-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB CC1CCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 23391960 VFOUTZMJWIZQPY-UHFFFAOYSA-N 341.455 4.051 0 40 EIAB CC[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1OC(F)F 27352975 PEPGGMDIGXVORU-OAHLLOKOSA-N 337.341 4.237 0 40 EIAB CN(CCOc1ccccc1F)C(=O)c1occc1-c1ccccc1 32788025 IAEOZZGIVYKYJE-UHFFFAOYSA-N 339.366 4.237 0 40 EIAB CC(C)n1ncc2cc(C(=O)N3CCC[C@@H]3c3cccs3)cnc21 32868995 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COc1cc(C)ccc1[C@@H]1N[C@H](c2nccs2)Cc2ccsc21 72373013 PDNAIWXGLFEAJV-HOCLYGCPSA-N 342.489 4.498 0 40 EIAB Cc1cccc(C)c1NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 76018956 XWJHBOWCUQAUBN-KRWDZBQOSA-N 326.396 4.115 0 40 EIAB O=C(CSCc1ccncc1)N1CCCCC[C@H]1c1ccco1 76651864 VDUIYLHCFURQQA-INIZCTEOSA-N 330.453 4.052 0 40 EIAB CC(C)c1ccc(C[S@@](=O)Cc2cc(F)cc3c2OCOC3)cc1 84625126 HRHXRTIPSZHLPL-DEOSSOPVSA-N 348.439 4.265 0 40 EIAB C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccn1 84661037 ZMRZSKWQCVBEBT-CQSZACIVSA-N 335.432 4.119 0 40 EIAB CC1CC(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 84750510 ZZZWUKHAQAFFQN-UHFFFAOYSA-N 332.831 4.233 0 40 EIAB Cc1ccc(C[C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)cc1 89632205 AERKQPHIXZCQIY-GOSISDBHSA-N 327.493 4.389 0 40 EIAB Brc1ccc(OCC2CC(OCc3ccccc3)C2)nc1 95093842 CEKMIROSOKPKDF-UHFFFAOYSA-N 348.240 4.218 0 40 EIAB CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(C)(C)C1CCCC1 95975541 IOBBHCVZNPNWHP-UHFFFAOYSA-N 325.456 4.252 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccccc1F 96402280 ZDPFMJGASHZKJV-LVCYWYKZSA-N 346.405 4.230 0 40 EIAB CCC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]21 100752434 KLOBYBBPFARQIW-LBTBCDHLSA-N 341.838 4.296 0 40 EIAB S=C(NC1CCC(c2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@H]1C2 106747731 SOTJPQSQGBNHSQ-NFKPGXHRSA-N 328.525 4.366 0 40 EIAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(F)cc1 216829142 GORKPLXJSGEPJU-UHFFFAOYSA-N 338.762 4.243 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 223723351 WQNFDKWJMGNHCQ-UHFFFAOYSA-N 331.481 4.113 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2cccc(Br)c2)c1 225620251 KMFIPLDWUZFJTG-AWEZNQCLSA-N 346.268 4.486 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1C 225629156 RDAWVQMGVRDCAU-UHFFFAOYSA-N 337.419 4.303 0 40 EIAB CO[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1 225701821 MQVAIBAVXOVHIY-SNVBAGLBSA-N 348.226 4.312 0 40 EIAB CC(C)[C@@H]1N(C(=O)c2cc3sccc3s2)CC12CCOCC2 516417255 UWTPNPHRMBGRQL-HNNXBMFYSA-N 335.494 4.240 0 40 EIAB Fc1cccc(F)c1C1(c2noc(-c3cccnc3)n2)CCCC1 558393729 PSKJYBCFJHGNPT-UHFFFAOYSA-N 327.334 4.270 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)C12CC3CC(CC(C3)C1)C2 575608907 PXYGEEXZAWVYEN-UHFFFAOYSA-N 336.435 4.174 0 40 EIAB CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(NCc2cncs2)c1 1119643862 SYIADDYZTGYHRA-DYVFJYSZSA-N 329.469 4.016 0 40 EIAB O=C(NCc1ccc(-c2ccccc2)o1)c1ccc(Cl)c(O)c1 1544792084 GJQHOGSBCJEYPK-UHFFFAOYSA-N 327.767 4.236 0 40 EIAB O[C@@H]1CCCC[C@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 1547139830 SETGIDMDBVUFBQ-KJJMTIBFSA-N 339.454 4.345 0 40 EIAB CC(C)c1nccc(N2CC(n3c(C(C)C)nc4ccccc43)C2)n1 1888888297 XSKWZSRXRQQSMN-UHFFFAOYSA-N 335.455 4.134 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 38440 ALEJPVUAAHBPCA-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 364402 BWDHYKFRZHBHKX-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccccc2)o1 411850 LLXZPINOAOILDY-UHFFFAOYSA-N 340.404 4.051 0 40 EIAB CC(=O)Nc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 818135 FUTCEBZJUVAMEB-HXUWFJFHSA-N 332.407 4.098 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1 1790912 UNXCQMTXZIHTEY-JLHYYAGUSA-N 337.419 4.314 0 40 EIAB COc1ccc(C)c2sc(NC(=O)/C=C/c3cccs3)nc12 2723920 PNKGEPBTLHESAW-SOFGYWHQSA-N 330.434 4.327 0 40 EIAB COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 3346487 OIESTWGCGWOENK-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB Cc1sc2ncnc(OCC(=O)c3c[nH]c4ccccc34)c2c1C 3599845 NQXATCOHCIIIKH-UHFFFAOYSA-N 337.404 4.051 0 40 EIAB C[C@H]1CC[C@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@@H]1C 4099877 HSYKUCUHSYQGQW-CIUDSAMLSA-N 335.288 4.421 0 40 EIAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1 4323003 YOOKKGANNLOXMM-UHFFFAOYSA-N 345.406 4.266 0 40 EIAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 4741153 LUIWXNOEUMZPKN-UHFFFAOYSA-N 344.842 4.266 0 40 EIAB C[C@@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1 5472204 XZJYTRIIKJBGAL-SNVBAGLBSA-N 340.360 4.462 0 40 EIAB COc1ccc([C@]2(c3ccccc3OC)OC(=O)c3ccccc32)cc1 5640201 LAFMFNVPWWILDH-QFIPXVFZSA-N 346.382 4.166 0 40 EIAB O=C(O)[C@@H](Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)no1 5947221 PWSLUBYNZQSQGQ-MRXNPFEDSA-N 342.782 4.103 0 40 EIAB COc1ccccc1-n1cnnc1S[C@H](C)c1ccc(F)cc1 6082001 RIFHNPTURUECDS-GFCCVEGCSA-N 329.400 4.268 0 40 EIAB CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1Cl 8478113 MOTDMMVSBAFDSC-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB CCOc1ccccc1-c1noc(CN2c3ccccc3CC[C@H]2C)n1 9682352 RSHDSIRUJOCWJX-OAHLLOKOSA-N 349.434 4.477 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1C 11636970 CKQFNHIQSIGNMO-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB Cc1nc2c(c(SCc3cc(Cl)cc4c3OCOC4)n1)CCC2 12016987 ZWNZMKFTVWGBGH-UHFFFAOYSA-N 348.855 4.086 0 40 EIAB Cc1csc(NC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)n1 12622390 USOGUPIFHNBLPH-UHFFFAOYSA-N 344.289 4.315 0 40 EIAB Cc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N2CCCC2)cc1 12809866 IUPMUJYWPGJCSN-YLJYHZDGSA-N 337.467 4.342 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl 12889088 STCDQRRQNBCMON-LBPRGKRZSA-N 342.826 4.180 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N(Cc1ccccc1)C1CC1 12937453 UORMAHYOAWAEND-UHFFFAOYSA-N 338.432 4.137 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1cc2cnn(C(C)C)c2nc1C 12943725 VHBGRLWCFYOJGE-AWEZNQCLSA-N 336.439 4.120 0 40 EIAB CCOc1ccccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 12946287 PIBQJZCNWSORCT-CQSZACIVSA-N 339.391 4.088 0 40 EIAB COc1cc(C(C)=O)ccc1OCc1cc(-c2cccs2)on1 14199765 GZNYLUUXXUEXTO-UHFFFAOYSA-N 329.377 4.193 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 14483380 AARVKBUSCXXWAO-SECBINFHSA-N 338.190 4.213 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 15796854 IHIYZBGARMACSM-BXUZGUMPSA-N 325.836 4.056 0 40 EIAB O=C(Nc1ncccc1O)c1cc(-c2ccccc2)nc2ccccc12 22263210 RQPQPKZFYMOFGL-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB CCc1cc2c(Nc3cccc(N4CCCC4=O)c3)ncnc2s1 26710466 KBLNUFZYTBMTCB-UHFFFAOYSA-N 338.436 4.124 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 31133650 HDIWHJQGTUXHPT-QWRGUYRKSA-N 339.844 4.055 0 40 EIAB Cc1sc2nc(N3CCCC3)n3nc(-c4ccccc4)nc3c2c1C 32093402 OMJWZGAMMUKHJR-UHFFFAOYSA-N 349.463 4.223 0 40 EIAB COCCn1c(SCc2ccccc2F)nnc1-c1ccccc1 32721561 OAYWQVYGKJPOJN-UHFFFAOYSA-N 343.427 4.023 0 40 EIAB O=C(NCc1csc(Br)c1)c1ccc(Cl)s1 32923022 IKZFYCNAIAIYKG-UHFFFAOYSA-N 336.663 4.156 0 40 EIAB CSc1nc(C)c(CC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)s1 37171289 QZXPBCCTDKQXRR-OLZOCXBDSA-N 340.558 4.437 0 40 EIAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 40072751 QWXQSERQBRSHJL-ZIAGYGMSSA-N 330.350 4.007 0 40 EIAB CCN(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56764647 RMNBBQKUNUIJTP-UHFFFAOYSA-N 335.791 4.059 0 40 EIAB CN(Cc1ccc2cccc(Cl)c2n1)Cc1n[nH]c2c1CCCC2 57811472 LXTRTDARBLHSMB-UHFFFAOYSA-N 340.858 4.122 0 40 EIAB CN(C)c1c(Cl)cccc1NC(=O)Cc1cccc2cccnc12 58397647 ADVQBTQKMMAFKL-UHFFFAOYSA-N 339.826 4.135 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccsc1)C1CC1 60137876 TVPLFNIOJTUHDH-GFCCVEGCSA-N 335.856 4.360 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccc(Oc2ccccc2)nc1 67680396 QDNAQFZSTLJYPJ-UHFFFAOYSA-N 345.358 4.196 0 40 EIAB Cc1ccc(C)c(C(=O)N[C@H](C)c2nc(-c3cccnc3)cs2)c1 69779362 IAMAVMUNKJHCKV-CQSZACIVSA-N 337.448 4.313 0 40 EIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccsc1)CC(O)=N2 71279861 BGLSPYARUNTFPW-CYBMUJFWSA-N 331.441 4.257 0 40 EIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(COC)n1 71844367 JEVLESHCHHKJEU-RDJZCZTQSA-N 344.480 4.088 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 71909314 KHSXHPBCGWIHGS-QHCPKHFHSA-N 329.465 4.120 0 40 EIAB c1ccc(Cc2cccc([C@H]3CCCN3Cc3ccncc3)n2)cc1 72357662 CVEBUJDHOBIECQ-JOCHJYFZSA-N 329.447 4.405 0 40 EIAB CCO[C@H](C)c1nc(CN(Cc2cccc(O)c2)C2CC2)cs1 76729185 ISFUTXXRRXHOIY-CYBMUJFWSA-N 332.469 4.111 0 40 EIAB Cc1ccc2cccc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c2n1 78087498 IVOOFXBETBGZIL-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB CCCC(O)(CCC)CC(=O)Nc1ccc(N2CCCCC2)cc1 79092685 YEWCFVUAGVGLFG-UHFFFAOYSA-N 332.488 4.337 0 40 EIAB Clc1nc(Sc2ccccc2)sc1CNC[C@@H]1CCOC1 95381833 YHKBZYNZDDWAHD-NSHDSACASA-N 340.901 4.074 0 40 EIAB COc1ccc2c(c1)[C@@H](N[C@H](c1ncccc1C)C(C)C)CCO2 95422490 QIVMZPLCSIVGGT-HKUYNNGSSA-N 326.440 4.209 0 40 EIAB Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 95422807 YOQQOGUMPZQHFB-KGLIPLIRSA-N 338.455 4.067 0 40 EIAB Cc1ncsc1CNC(=O)NC(c1cccs1)c1cccs1 96415454 MIYNKIQTSSMCHR-UHFFFAOYSA-N 349.506 4.163 0 40 EIAB CCCC(=O)Nc1cccc(NC(=O)N[C@H](CC)c2ccncc2)c1 96434147 CZJPWDSPSPTFSI-QGZVFWFLSA-N 340.427 4.093 0 40 EIAB CC1(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)CCOCC1 97113516 UZRQLORSCBPYGD-DEOSSOPVSA-N 349.540 4.497 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102601000 KRBRJHDNAYUDKD-IUVQAAGXSA-N 329.484 4.304 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2 102664276 LIQGIGDGCZWTFC-INIZCTEOSA-N 340.452 4.370 0 40 EIAB COc1c(Br)cc(Cl)cc1C(=S)N1CCCCC1 107709411 QFNJQLSBFPBVAV-UHFFFAOYSA-N 348.693 4.273 0 40 EIAB C[C@H](c1ccccc1)N1CC(=O)N[C@H]1c1c(Cl)cccc1Cl 117392035 SJWBYRMAJLBSCX-PIGZYNQJSA-N 335.234 4.185 0 40 EIAB O=C(O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1 216935659 CMAKBPOHMFOOAP-UHFFFAOYSA-N 335.142 4.465 0 40 EIAB CC(C)Oc1cccc(CNC(=O)COc2ccc(C(C)C)cc2)c1 218960438 LRVFLCPFHCTJAC-UHFFFAOYSA-N 341.451 4.292 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2)cc1 223478046 KSYBHKWTRLFIPX-UHFFFAOYSA-N 336.479 4.428 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1F 225608209 VSIZTAYWVYDNQG-HNNXBMFYSA-N 349.471 4.169 0 40 EIAB Cc1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225788682 IBLRZPSUTJZQDZ-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB COc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cn1 225807829 GLQVZDHDYOTXTC-UHFFFAOYSA-N 343.496 4.133 0 40 EIAB CCCOc1ncc(NC(=O)C2(OCC)CCCCCC2)cc1C 225899636 NWYSSXJRCGTFNI-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 226301378 DGOYBGXXWSKNPS-VXGBXAGGSA-N 332.831 4.300 0 40 EIAB Cc1cc(N)c(NC(=O)COc2ccc(Cl)cc2C)cc1Cl 226359262 JOPWGXQOVKZGFE-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 253472009 HTVDYJPBBHYIOG-LBPRGKRZSA-N 343.810 4.456 0 40 EIAB COc1ccc(C(=O)NC[C@H](c2ccsc2)c2ccco2)cc1F 670319255 YJXKNEPMJBIKOE-CQSZACIVSA-N 345.395 4.051 0 40 EIAB Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(N)=O)c1C 248448 BZIKOVHNWYNBHB-UHFFFAOYSA-N 330.453 4.014 0 40 EIAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)N1CCCC1 413140 KWIQUBGWYSKBEG-UHFFFAOYSA-N 328.481 4.129 0 40 EIAB O=C(Nc1cccc(F)c1)c1cc(Br)ccc1Cl 513674 MDLQJBYERYAZAS-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB CCOC(=O)N(CC)[C@H](c1ccccc1)P(=O)(OCC)OCC 1699260 MMESLRIAIRQMHO-HNNXBMFYSA-N 343.360 4.430 0 40 EIAB CCCCCN(CCCCC)C[C@H](O)CN1CCCc2ccccc21 1729651 YXDUJVBHEGKZSK-NRFANRHFSA-N 346.559 4.483 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(F)cc2C)ccc1OC(F)F 2797084 OHCLLEDJOUCZOD-UHFFFAOYSA-N 339.313 4.387 0 40 EIAB FC(F)(F)c1nc(NCc2cccs2)nc2c1CCCCC2 3896196 XDIUEZJFYUNPBX-UHFFFAOYSA-N 327.375 4.438 0 40 EIAB COc1ccc2nc(Nc3nnc(-c4cccs4)o3)sc2c1 4137758 JXXRJORAGVNWLF-UHFFFAOYSA-N 330.394 4.160 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)c2cc(F)c(F)cc2Cl)c1 4619692 WJWSWBOBYCOUMY-UHFFFAOYSA-N 339.769 4.044 0 40 EIAB COc1ccc(-c2nc(NC(=O)/C=C/c3ccco3)sc2C)cc1 5578378 HCNXJDKYZNNMQH-MDZDMXLPSA-N 340.404 4.372 0 40 EIAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F 6859714 MLONRGHLEMUCDX-GFCCVEGCSA-N 343.370 4.053 0 40 EIAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1 7213327 YEMQMLDFBHUTJB-IAOULYHDSA-N 341.476 4.288 0 40 EIAB Cc1cccc(NC(=O)COC(=O)CCc2ccccc2Cl)c1C 7975349 UEXWSTWHEXLPKW-UHFFFAOYSA-N 345.826 4.071 0 40 EIAB Cc1nc(/C=C/C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cs1 8924438 CCPXYEUDIWNQDY-GQCTYLIASA-N 341.263 4.430 0 40 EIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1 9458878 QSESDNPICINVLW-LLVKDONJSA-N 335.762 4.088 0 40 EIAB O=C(CSc1ncc(-c2ccccc2)nn1)c1ccc(Cl)cc1 9667806 GOPXVXHPWBEQID-UHFFFAOYSA-N 341.823 4.167 0 40 EIAB COc1cc(C=O)ccc1Oc1nc(C(F)(F)F)nc2ccccc12 9740986 OPRRLRXIHTUOJO-UHFFFAOYSA-N 348.280 4.262 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 10213608 ZGXWCPKZGAMXME-UHFFFAOYSA-N 346.438 4.267 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cccc2ccccc12)c1ccc(F)cc1 10329671 BCYKJLSGASWZPA-FQEVSTJZSA-N 336.410 4.012 0 40 EIAB Cc1csc2nc(CNc3ccccc3-c3ccccc3)cc(=O)n12 11618992 MYXAGUCOMXBHLK-UHFFFAOYSA-N 347.443 4.344 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 12538941 MRRLFRUHBSEITB-ZJUUUORDSA-N 328.359 4.353 0 40 EIAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1C 12618987 MJRAHMZZWQUFBQ-UHFFFAOYSA-N 349.409 4.369 0 40 EIAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC(F)F 12778047 ATNIFSITXDXXQK-UKTHLTGXSA-N 331.318 4.179 0 40 EIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)C3CCC(C)CC3)c12 12886753 PDDUMZGDWQDFNF-UHFFFAOYSA-N 342.487 4.051 0 40 EIAB Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1C 12929317 YGAAEGZAOLUOFT-UHFFFAOYSA-N 349.409 4.369 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 14085460 CTYBPUDFBUNPLG-UHFFFAOYSA-N 326.421 4.107 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2cccc(C)c2)CC3=O)cc1 14164239 KWUFRIVNBMVZLV-KRWDZBQOSA-N 346.430 4.410 0 40 EIAB NC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)cc1 15129631 BHWRXYZBHUDOCQ-UHFFFAOYSA-N 341.370 4.188 0 40 EIAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(Cl)c1 16399027 DLRGEAGYBJTKRR-UHFFFAOYSA-N 333.174 4.471 0 40 EIAB CCCc1nnc(NC(=O)[C@H](c2ccccc2)C2CCCC2)s1 18194393 BFMZPJKZBOXOTE-MRXNPFEDSA-N 329.469 4.403 0 40 EIAB CCn1c(NC(=O)c2cc(F)c(F)cc2Cl)nc2ccccc21 18232875 YDKPSPZCSFABHR-UHFFFAOYSA-N 335.741 4.240 0 40 EIAB Cc1c(Cl)ccc2c(Nc3ccc(O)cc3)c(C(=O)O)cnc12 19794109 QSXDWNXHVGDTLT-UHFFFAOYSA-N 328.755 4.344 0 40 EIAB CCc1cccc2c1Sc1ccccc1C[C@H]2N1CCN(C)CC1 19802452 LVLNODDWMIJOHQ-LJQANCHMSA-N 338.520 4.245 0 40 EIAB COCc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2cccc(F)c12 21895598 MHBFCIIUCXUNOQ-VXGBXAGGSA-N 335.444 4.305 0 40 EIAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 23119690 DYDZMJACGALKFB-UHFFFAOYSA-N 334.423 4.450 0 40 EIAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc2ccccc2c1 28303617 FOBYKNPFRDVVOS-UHFFFAOYSA-N 345.377 4.476 0 40 EIAB COc1ccc(CNc2cccc(NC(=O)CC(C)C)c2)c(OC)c1 35287239 ZDTUBTMWLZIIKY-UHFFFAOYSA-N 342.439 4.301 0 40 EIAB CN(Cc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F 40097389 WAJCEVWYIRJVRM-UHFFFAOYSA-N 328.721 4.421 0 40 EIAB CCCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 41128092 SJOHUMJHVYBSTN-CYBMUJFWSA-N 330.255 4.031 0 40 EIAB Cc1cccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 44912411 TYNLSALWDGBNFB-GOSISDBHSA-N 336.479 4.157 0 40 EIAB COC(=O)c1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 48344198 WWVYPDHCONDYNJ-GFCCVEGCSA-N 338.363 4.102 0 40 EIAB CCCC(=O)Nc1cccc(CNCc2csc(C(C)(C)C)n2)c1 53018916 CPPJWHPPVHYGKH-UHFFFAOYSA-N 345.512 4.469 0 40 EIAB COC(=O)N(C)c1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 56449500 DEGGYMYEVUKVGD-CVEARBPZSA-N 330.428 4.066 0 40 EIAB Cc1cccc(OCCNC(=O)c2ccccc2SC(C)C)c1 56825772 PTRXCMCHFIANSE-UHFFFAOYSA-N 329.465 4.304 0 40 EIAB CC[C@H](OC)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 58032454 PPEGYTQBJDQIMB-INIZCTEOSA-N 330.453 4.052 0 40 EIAB CC(C)OCc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 58158478 BFGMBFMCRBKRJL-HXUWFJFHSA-N 338.451 4.043 0 40 EIAB Cc1cccc(NC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)c1 69460719 MZPWVJJAXPBTKB-AZUAARDMSA-N 335.451 4.143 0 40 EIAB CCCOc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 72264321 VWXDBOFNHQVPOQ-UHFFFAOYSA-N 335.350 4.007 0 40 EIAB O=C(CCCc1ccccn1)N(Cc1cscn1)c1ccccc1 72281668 LXKMSXFMKHIBLC-UHFFFAOYSA-N 337.448 4.094 0 40 EIAB CCOC[C@H]1CCCN(C(=O)Nc2ccccc2SC(F)F)C1 72283375 CETPXZNLQSUXKM-LBPRGKRZSA-N 344.427 4.282 0 40 EIAB CC[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cnn(CC)c1 72305859 JMFIGWCYKPWGQW-CQSZACIVSA-N 340.349 4.195 0 40 EIAB Cc1cc2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2cc1Cl 72427486 WCJPTOHMDGVZQT-UHFFFAOYSA-N 331.730 4.146 0 40 EIAB Cc1nc2cc(F)cc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2nc1C 95364755 BIZQXKIHXMVZRG-KSSFIOAISA-N 341.430 4.181 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccco1 95381710 NZRUSEYMSRVDCX-RYUDHWBXSA-N 338.329 4.107 0 40 EIAB CC(C)[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 95422716 HAKFTDFJQANIPA-HNAYVOBHSA-N 339.439 4.086 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 95939106 MBDMIBLYBUSVBC-DGCLKSJQSA-N 333.457 4.084 0 40 EIAB CC1CCN(c2cc(N)c(C(=O)c3ccc(Cl)cc3)s2)CC1 96190594 XZDXDZZLTQXFNU-UHFFFAOYSA-N 334.872 4.451 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C 96659335 QWGBRNKDQUAMTK-UHFFFAOYSA-N 333.453 4.038 0 40 EIAB COc1ccc(-c2c(NC(=O)C(C)C)oc3ccccc3c2=O)cc1 101452378 IHKNQUXFWIIBGS-UHFFFAOYSA-N 337.375 4.063 0 40 EIAB CCc1nc(CNC(=O)c2sc(C)nc2-c2ccccc2)cs1 171618720 KAERTJOFYIWYHD-UHFFFAOYSA-N 343.477 4.067 0 40 EIAB CCOc1cc(C(=O)NCCCc2ccc(F)cc2)cc2occc12 223283236 ZEUSIOFSTQXNBB-UHFFFAOYSA-N 341.382 4.333 0 40 EIAB C[C@@H]1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)[C@H]1CO 561689497 QAVZJPFEWMMZFK-PSLIRLAXSA-N 326.774 4.033 0 40 EIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 70093 AYNNISGPRVOKQV-IBGZPJMESA-N 334.375 4.055 0 40 EIAB CC(=O)O[C@@H]1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)C1(C)C 118698 UAUUBSHOVAJNJQ-RTBURBONSA-N 339.391 4.213 0 40 EIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 361843 ZIRJVMIYAFFXNB-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB O=C(NCCc1ccccc1)c1ccccc1CCc1ccccc1 1235671 MMLDIUCPVNDIOR-UHFFFAOYSA-N 329.443 4.444 0 40 EIAB O=S1(=O)CC[C@H](Sc2ccc(Cl)cc2)c2ccsc21 1398479 BNWFRHILKFJGNX-LBPRGKRZSA-N 330.883 4.412 0 40 EIAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Cl 1417112 JZWIBQWWNIRBDW-UHFFFAOYSA-N 343.022 4.404 0 40 EIAB Cc1cc2nn(CN(C)Cc3ccccc3)c(=S)n2c2ccccc12 3345387 CAROPRHNKIIPBL-UHFFFAOYSA-N 348.475 4.416 0 40 EIAB Cc1ccc(NC(=O)c2cccc(N(C)C)c2)c(Br)c1 4895527 OUGXUWRKRNTMAK-UHFFFAOYSA-N 333.229 4.076 0 40 EIAB Cc1nc(S[C@H](C)C(=O)NC2CCCC2)c2c(C)c(C)sc2n1 5428979 VAPPUNAQWREURP-LLVKDONJSA-N 349.525 4.156 0 40 EIAB CCOc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 5823161 IOXFEAUVOCCBMC-UHFFFAOYSA-N 325.437 4.114 0 40 EIAB S=C(N[C@@H]1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2 6229563 YRNAWIBJVWKYCO-KXDMBUCYSA-N 340.536 4.497 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 6372722 BXFBXSLFJCSZAC-SNVBAGLBSA-N 343.276 4.130 0 40 EIAB COc1ccc2c(c1)OCC1=C2CC[C@@]2(C)C1=CCC[C@@H]2OC(C)=O 6614753 UJKBARGHRQTONW-SFTDATJTSA-N 340.419 4.293 0 40 EIAB COc1ccccc1C(=O)N(Cc1ccco1)Cc1ccccc1F 6747620 ORSZCNRFVFTNNO-UHFFFAOYSA-N 339.366 4.270 0 40 EIAB CCc1ccc([C@H](NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1 6789908 FDSYEULLHLIGAK-OAQYLSRUSA-N 325.452 4.314 0 40 EIAB CCOc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 7687044 ACHSMKXLETYGHO-UHFFFAOYSA-N 340.467 4.081 0 40 EIAB CC1CCN(C(=O)c2ccc(OCCOc3ccccc3)cc2)CC1 8105477 KVUQCYMJSVEGCZ-UHFFFAOYSA-N 339.435 4.017 0 40 EIAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cn1 8555464 JWVJGALQJZHBGF-UHFFFAOYSA-N 342.649 4.306 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 8642591 IWDJADNUHYHQJB-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB CC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 8725166 KNSOPKLMFBEXIO-CQSZACIVSA-N 326.421 4.261 0 40 EIAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1O2 9135354 GYUNTVQSEJGFNE-UHFFFAOYSA-N 338.407 4.362 0 40 EIAB Cc1cc2nc(-c3ccc(CNC(=O)C(F)(F)F)cc3)oc2cc1C 10120361 BCNHLDBVPHCAJO-UHFFFAOYSA-N 348.324 4.290 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cc(Cl)cc(Cl)c1 10406857 XCTZRKGMYNDKHU-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N1CCCc2ccccc21 10963312 BEUFSVMDTZNONU-ZDUSSCGKSA-N 338.432 4.288 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)cc1OC 11637259 HNJWPVONIKTBSN-SFHVURJKSA-N 343.423 4.117 0 40 EIAB COc1ccc(NC(=O)COc2ccccc2)cc1Cc1ccccc1 12041339 MWMNPDZCENMWMJ-UHFFFAOYSA-N 347.414 4.304 0 40 EIAB O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCSCC1 12749669 CXCGDWGLHZVQDJ-UHFFFAOYSA-N 330.453 4.065 0 40 EIAB O=C(CC1CCCC1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 12766539 CJOQLMXEMBAMKG-NRFANRHFSA-N 333.435 4.349 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H](C)C[C@H](C)C3)o2)cc1C 12782124 ZWTZWBNPYVMDEE-GJZGRUSLSA-N 340.467 4.396 0 40 EIAB Nc1c(C(=O)N2CCCCCC2)sc(=S)n1C1CCCCC1 13547187 CAJIHUHHXGZUFN-UHFFFAOYSA-N 339.530 4.383 0 40 EIAB C[C@H](NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23)c1ccccc1 13565828 XSEYAMZYPVOSBI-LSDHHAIUSA-N 344.414 4.066 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C(C)(C)C)cc1 13649623 NBVLSQYIGQWXHQ-LJQANCHMSA-N 330.516 4.369 0 40 EIAB Cc1ccc(CSc2nnc(COc3cccc(C)c3)n2C)cc1 14121896 JONOANKCAUKLBI-UHFFFAOYSA-N 339.464 4.303 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 14219454 IJFALMNRMWVAOI-QGZVFWFLSA-N 331.481 4.268 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCc2ccccc21 14915266 JHQPNGZBFFEFSR-CYBMUJFWSA-N 344.842 4.047 0 40 EIAB COC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 17072339 JXTKFZNKWDNBPZ-UHFFFAOYSA-N 348.280 4.209 0 40 EIAB Cc1cccc(CCC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 19236095 NXLMPCPDKNBVIE-VAPSRWTKSA-N 348.490 4.411 0 40 EIAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2Cc1ccncc1 19713449 QGKBIIWLUISYBZ-VJBWXMMDSA-N 349.522 4.190 0 40 EIAB Cc1ccn(C(=O)Cc2noc3ccccc23)/c(=N/C2CCCCC2)c1 23199510 PCQKOEVMYDLHGT-LSDHQDQOSA-N 349.434 4.054 0 40 EIAB CN(C)CCN(Cc1ccc(Cl)c(F)c1)Cc1cccs1 23247864 ZKVKCCGNIVGREX-UHFFFAOYSA-N 326.868 4.104 0 40 EIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cncn1-c1ccccc1 23269005 OZLRJFZIITXKFM-UHFFFAOYSA-N 347.462 4.442 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cccs1 27663711 DBQQDHQQIGCIDK-INIZCTEOSA-N 348.899 4.359 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 27794346 GIFRODDAIMMEOB-LJQANCHMSA-N 342.870 4.215 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 28910081 WNBOSROOIUTRHF-INIZCTEOSA-N 337.341 4.179 0 40 EIAB Cc1ccc(-n2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2)cc1 31731143 CXYLVAQALMPCJU-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB CCOCCCNC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 32907888 SHTKPSZMVIWZGN-XDJHFCHBSA-N 343.854 4.423 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 38771964 WTTBRTALOJGSRT-JKSUJKDBSA-N 327.424 4.038 0 40 EIAB Cc1noc(-c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)n1 40110454 KOJSXKAMPGANPD-INIZCTEOSA-N 339.420 4.084 0 40 EIAB COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 48249397 MFSRWAFJAJFPNV-HZPDHXFCSA-N 335.856 4.453 0 40 EIAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1OC 54858005 LDNFQLBPXOWNBH-UHFFFAOYSA-N 333.815 4.274 0 40 EIAB COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1N 57340391 BBGMTUCDBKAPKX-UHFFFAOYSA-N 326.783 4.336 0 40 EIAB CCN(CC(=O)N1CCc2ccccc21)[C@H](C)c1cc2ccccc2o1 64349222 PHVCPXAVFDDSRM-MRXNPFEDSA-N 348.446 4.405 0 40 EIAB CC(C)c1noc([C@@H](C)Sc2nnc(Cc3cccs3)o2)n1 66262073 OGECZSRILRUKEI-SECBINFHSA-N 336.442 4.082 0 40 EIAB O=C(CSCc1ccccn1)Nc1cc(C(F)(F)F)ccc1F 69382736 TVHACOBOVRQKQR-UHFFFAOYSA-N 344.333 4.111 0 40 EIAB CC(C)(C)c1ccc2cc(C(=O)N3CCc4ccc(O)cc4C3)[nH]c2c1 70017519 QBDVABHTANLODF-UHFFFAOYSA-N 348.446 4.370 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)cc1Cl 72238549 RBGQPNWZXMVLMD-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB CCc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 72276854 MVBAZGURQCVJRM-KRWDZBQOSA-N 336.357 4.081 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3F)[nH]n2)cc1Cl 72427476 ORLPQBGDRKTUCV-UHFFFAOYSA-N 345.761 4.136 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CNc1c(C)cccc1Cl 75093223 UWLHDCVREFBDOW-UHFFFAOYSA-N 339.222 4.361 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C 84291121 ONHDZISBUHMLLJ-IEBWSBKVSA-N 337.467 4.035 0 40 EIAB C[S@@](=O)c1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1 85298491 OUHROZZAPCETEG-RDGATRHJSA-N 349.499 4.498 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CC1(Cl)Cl 88262217 PGPWQBRICXVEEX-LSDHHAIUSA-N 338.209 4.225 0 40 EIAB Cc1nc2ccccc2nc1NC[C@@H]1CCN(c2ccc(F)cc2)C1 89556230 OTDBRNJXDOGVMI-HNNXBMFYSA-N 336.414 4.016 0 40 EIAB Cc1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1F 89644339 VNPTWWHUCCMVLH-GFCCVEGCSA-N 331.372 4.159 0 40 EIAB CCc1ocnc1C(=O)N(c1cccc(C(F)(F)F)c1)C(C)C 95418899 GDZTURVYNAVWHC-UHFFFAOYSA-N 326.318 4.311 0 40 EIAB Cc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)s1 96049315 BRCFZYJYWHOWHW-UHFFFAOYSA-N 341.524 4.082 0 40 EIAB CC(C)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 96318731 YLLDBWFXGBJELY-UHFFFAOYSA-N 341.430 4.303 0 40 EIAB Cc1ccccc1-c1nc(C)c(CNC(=O)/C=C/c2ccco2)s1 96342889 CVIWXWARZOUQEM-MDZDMXLPSA-N 338.432 4.350 0 40 EIAB CCCOc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216958257 IJDJWYLQYKJLLK-UHFFFAOYSA-N 337.375 4.125 0 40 EIAB O=C(NCc1ccccc1)N1CCS[C@@H](c2cccs2)CC1 219532185 AARSPVDAKQJYDO-MRXNPFEDSA-N 332.494 4.138 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1Cl 224436721 XFYJGYNBPZGLAN-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccc(Cl)cc1 224496372 CUJOWKICEWUOIV-UHFFFAOYSA-N 345.826 4.210 0 40 EIAB COc1cccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225086008 RECNRASABIIPSE-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccccc2C)c1 225129648 PXQHDVPZGSBWNL-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSC1CCCC1 225547429 BIVKMCPHCZRLKO-SFHVURJKSA-N 335.513 4.253 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 226301486 OMZKFMIWRSTRII-TXEJJXNPSA-N 332.831 4.300 0 40 EIAB CC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)c1ccccc1 257310507 UFHXBNFWVYFPON-YHMUCNLWSA-N 327.468 4.036 0 40 EIAB O=C(CCCc1ccncc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 409412859 UBASCEWOHZHVDS-YUVXSKOASA-N 334.463 4.103 0 40 EIAB Cc1ccc2c(c1)CC[C@H]2NC(=O)c1nc(-c2ccccc2)oc1C 501964026 XICDJJCSDNJZCG-GOSISDBHSA-N 332.403 4.376 0 40 EIAB CC1(C)CC[C@H]2CN(C(=O)c3cc4cccc(F)c4[nH]3)CC[C@@]2(C)O1 585286890 WGUWLNKRDUTOAJ-VBKZILBWSA-N 344.430 4.117 0 40 EIAB O=C(NCc1cccc2[nH]ccc12)Nc1cccc(N2CCCC2)c1 637759842 KMSWWUSZWDRAFV-UHFFFAOYSA-N 334.423 4.090 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@@H]2c1ccc(Cl)cc1Cl 152916 SZTXBSVQOKSIKW-WBVHZDCISA-N 347.201 4.226 0 40 EIAB CCOC(=O)c1cnc2cc(-c3ccccc3)nn2c1-c1ccccc1 208610 ABRHVZREEIHQES-UHFFFAOYSA-N 343.386 4.240 0 40 EIAB CCOc1ccc(-c2ncncc2Oc2ccc(OC)cc2)c(O)c1 2402631 RULADIWXVBCWSV-UHFFFAOYSA-N 338.363 4.049 0 40 EIAB biogenic CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 2637624 NDXSDLPCCDTBGX-UHFFFAOYSA-N 329.874 4.500 0 40 EIAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCCc2ccccc21 3220105 VGOKIWSGKCWUIA-INIZCTEOSA-N 336.460 4.423 0 40 EIAB O=C(O[C@@H]1CCCCC1=O)c1cc(-c2ccco2)nc2ccccc12 3303601 AZCFOEVCTWGDII-LJQANCHMSA-N 335.359 4.163 0 40 EIAB Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1 3352668 QHVNCBUNFJEGKX-ZDUSSCGKSA-N 340.395 4.311 0 40 EIAB CCOC(=O)CC(=O)CSc1nc2c(C)ccc(C)c2cc1CC 4849468 VGELIWWRJZANKE-UHFFFAOYSA-N 345.464 4.028 0 40 EIAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 4854462 AYTPFTIZUBEDQE-FQEVSTJZSA-N 347.418 4.134 0 40 EIAB CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)CC(C)(C)N1 5415038 JIMSSGLIPSGMGK-UHFFFAOYSA-N 336.479 4.393 0 40 EIAB CN(C(=O)c1cc2cc(Br)ccc2[nH]1)C1CCCCC1 5452060 ZJZNHECSTLWEQZ-UHFFFAOYSA-N 335.245 4.335 0 40 EIAB COc1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1 5558415 YAQAVHCPIJFBDU-UHFFFAOYSA-N 333.387 4.380 0 40 EIAB Cc1cccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1C 6284433 MTADJVLGDZIQRI-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB COc1cc(C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 7007692 TXILCEHYAHVACS-UHFFFAOYSA-N 339.313 4.040 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1Br 7651578 YEPCCYSZAGRLQX-FBOQAHMBSA-N 336.254 4.401 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 7808286 BPENKQIBOAAMGQ-UHFFFAOYSA-N 343.766 4.434 0 40 EIAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 7928710 KBJVEJXLQQUQRT-HOTGVXAUSA-N 337.419 4.159 0 40 EIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N1CCCCCC1 8135602 FHTHSGYDOLXKOO-LLVKDONJSA-N 337.876 4.100 0 40 EIAB c1ccc(SCCOCCN2CCCC[C@@H]2c2cccnc2)cc1 8744433 UIMVARSOZJNXHS-HXUWFJFHSA-N 342.508 4.418 0 40 EIAB biogenic CSc1ncccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 9456834 JZDXPNAJFZNFCR-UHFFFAOYSA-N 345.424 4.318 0 40 EIAB CC(=O)Nc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 10622637 SLQGDGKIEMEYJA-UHFFFAOYSA-N 337.297 4.021 0 40 EIAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccccc2Cl)C1 12119067 NODDJQCTXQGZGD-HNNXBMFYSA-N 342.826 4.085 0 40 EIAB CN(CCOc1ccccc1F)C(=O)c1cc2c(Cl)cccc2[nH]1 12756321 KSKOOVZFMVQVKA-UHFFFAOYSA-N 346.789 4.111 0 40 EIAB CCc1ccccc1NC(=O)CCC(=O)c1cc(C)ccc1OC 12824899 WKAAYKKDKQETQQ-UHFFFAOYSA-N 325.408 4.168 0 40 EIAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(OC(F)F)cc1 12869251 YUIMIHARHSOKJU-SECBINFHSA-N 327.277 4.057 0 40 EIAB O=C(Nc1ccc(F)cc1F)Nc1c[nH]c2cc(Cl)ccc2c1=O 13565965 CEXIDPQWHKUOMJ-UHFFFAOYSA-N 349.724 4.104 0 40 EIAB Cc1nc(/C=C/C(=O)NCCC23CC4CC(CC(C4)C2)C3)cs1 14054519 RTROBHZYNDNAIA-NSCUHMNNSA-N 330.497 4.187 0 40 EIAB c1ccc2sc(CSc3nc(CC4CCCC4)n[nH]3)nc2c1 14093467 VJLVUNFYRGTHGO-UHFFFAOYSA-N 330.482 4.439 0 40 EIAB Cc1cccc(C)c1NC(=S)NC[C@@H](c1ccco1)N1CCCC1 16239131 LBUXBGBCDSLRTN-INIZCTEOSA-N 343.496 4.020 0 40 EIAB COc1ccccc1CC(=O)Nc1cccc(C2SCCS2)c1 18216212 ZBUNXOREZIUAPU-UHFFFAOYSA-N 345.489 4.355 0 40 EIAB COCCOc1ccc(NCCOc2ccc(Cl)cc2C)cc1 19738271 XHLHAHNAGLWYKT-UHFFFAOYSA-N 335.831 4.165 0 40 EIAB CCOC(=O)c1c(NC(=O)Nc2ccccc2C)sc(C)c1C 19797037 XGEYSXOXCWTPAI-UHFFFAOYSA-N 332.425 4.494 0 40 EIAB CCCOc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 19909441 DGIHVFINWBZDDF-UHFFFAOYSA-N 343.807 4.069 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 20457209 FTNSKSNJPRGIJA-GFCCVEGCSA-N 348.240 4.418 0 40 EIAB CC[C@H](C(=O)Nc1nc(CN2CCCCC2)cs1)c1ccccc1 21135239 WXQHMMVZUHCRTI-KRWDZBQOSA-N 343.496 4.261 0 40 EIAB Cc1csc(NC(=O)Cc2cc(-c3cc4ccccc4o3)on2)n1 23127299 XKTPPDGLSODHLE-UHFFFAOYSA-N 339.376 4.034 0 40 EIAB CC(C)/N=c1\ccccn1C(=O)c1sc2ccccc2c1Cl 23196733 UFMCKMDYSKNSOE-XMHGGMMESA-N 330.840 4.354 0 40 EIAB CN(CC(=O)Nc1cccc2ncccc12)[C@H]1CCCc2ccccc21 25948841 GNXCGPDWEOBOJT-NRFANRHFSA-N 345.446 4.183 0 40 EIAB S=c1scnn1CN1CCC[C@H](c2nc3ccccc3s2)C1 27507033 VSWOMUCRRYQXMD-NSHDSACASA-N 348.522 4.121 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)[nH]2)cc1 28788001 XMXVOHUXOGMZJW-UHFFFAOYSA-N 345.406 4.131 0 40 EIAB Cc1cc2occ(CC(=O)NCCCOCC3CC3)c2cc1C(C)C 32750764 QVZYKCHAFUQHFB-UHFFFAOYSA-N 343.467 4.340 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCSc1ccc(Cl)cc1 38752810 REORVDMFEWRJOA-CQSZACIVSA-N 349.883 4.324 0 40 EIAB COc1ccc(C2=CCN(C(=O)CCc3ccsc3)CC2)cc1 40542370 YAAFHYFEUWDZIO-UHFFFAOYSA-N 327.449 4.005 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1 51315464 SSOVGYBTPKIQAR-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB COc1ccc(CNC(=O)Nc2ccccc2N2CCCCC2)cc1 57854294 DKCUVHWEZQGUDL-UHFFFAOYSA-N 339.439 4.007 0 40 EIAB COc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)cc1OC 58342844 WKOBRNUXFIDBTL-UHFFFAOYSA-N 341.388 4.193 0 40 EIAB C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1 58345327 VLOQQAOSZMHKHR-BEFAXECRSA-N 342.870 4.182 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351376 BEDDBVZWXPIDDY-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB C[C@@H](Nc1cccc(Cn2cccn2)c1)c1nnc(-c2ccccc2)o1 65513192 YUSQNROZDXHXQP-OAHLLOKOSA-N 345.406 4.155 0 40 EIAB O=C(O)c1cc(Br)ccc1COc1ccc(Cl)cc1 72209163 YOEDWOAQDBYCRP-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB Cc1nc(COc2ccc(N(C)C(=O)OC(C)(C)C)cc2)oc1C 78904315 OSGOZSHZTDCFJG-UHFFFAOYSA-N 332.400 4.242 0 40 EIAB c1ccc([C@H](NCc2cnc(-c3cnccn3)s2)C2CCC2)cc1 88701891 WQKHEHUCANKAQF-SFHVURJKSA-N 336.464 4.231 0 40 EIAB Cc1nc(N)sc1-c1nc(-c2cc(Cl)ccc2Cl)no1 89263092 XLQDLGKWLDAHBY-UHFFFAOYSA-N 327.196 4.058 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1 95249764 QXINESDBWLTSFM-YSGRDPCXSA-N 347.414 4.489 0 40 EIAB CC(C)[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 95422718 HAKFTDFJQANIPA-DNVCBOLYSA-N 339.439 4.086 0 40 EIAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc2c(c1)CCCC2 96408340 BBJBXRNLLZMVLJ-DEOSSOPVSA-N 341.476 4.005 0 40 EIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 96586396 BULBJJSFZHQILL-HNNXBMFYSA-N 339.435 4.370 0 40 EIAB c1cncc([C@@H](Nc2cccc(N3CCCCCC3)c2)c2ncc[nH]2)c1 195110462 WNWDUCFOGSHKQG-HXUWFJFHSA-N 347.466 4.387 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSC1CCCC1 223098305 HXJCYEWZFIUMHK-OAHLLOKOSA-N 347.524 4.125 0 40 EIAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225047135 BMOKEODMLTZJSY-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Oc1cc(C)cc(C)c1C)C(=O)O 225121070 RAUQIHGEBMMOOO-GOSISDBHSA-N 348.826 4.349 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccccc1 225494158 BHKKTSBLUDPOMM-KRWDZBQOSA-N 337.463 4.082 0 40 EIAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CCC[C@H]1c1ccc(Cl)cc1 226076910 NPRKYUDASVOQTF-KBPBESRZSA-N 339.819 4.255 0 40 EIAB Cc1nc(C(C)C)oc1C(=O)N1CCCn2c(cc3ccccc32)C1 292685062 DAZDUMDLYCSGHE-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB CC(C)(C)C(=O)NC1CCN(Cc2ccc(Cl)cc2Cl)CC1 1203397282 QOHHSZJNHFZFNK-UHFFFAOYSA-N 343.298 4.120 0 40 EIAB CC(C)OCCCc1nc(Cc2ccc(Cl)c3cccnc23)no1 1616034746 MZIGHDJKPDDVMK-UHFFFAOYSA-N 345.830 4.220 0 40 EIAB Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 123138 RLRSHTJBIQRNDX-UHFFFAOYSA-N 329.359 4.329 0 40 EIAB Cc1ccc(C(=O)O)cc1Nc1nc(C(F)(F)F)nc2ccccc12 151333 DBZCYDMLYUHIAT-UHFFFAOYSA-N 347.296 4.399 0 40 EIAB Fc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 520972 QYXPVXXFSJPJHN-UHFFFAOYSA-N 338.411 4.414 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 559739 DPLXVOIPCYRMJN-UHFFFAOYSA-N 338.451 4.492 0 40 EIAB Cc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1 991364 KJUGPXYSCGDONO-UHFFFAOYSA-N 344.414 4.429 0 40 EIAB CCCc1nc(SCC(=O)N(C(C)C)C(C)C)c2ccccc2n1 1342770 KJLZNDIJTNVHFU-UHFFFAOYSA-N 345.512 4.320 0 40 EIAB CC(C)n1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721406 MYGADJXDOPUGRQ-UHFFFAOYSA-N 341.842 4.243 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2ccccc12 2752424 ZNWDDDLDSCTIFG-UHFFFAOYSA-N 329.377 4.232 0 40 EIAB c1ccc(OCCOc2ccccc2-c2nnc3n2CCCCC3)cc1 3241696 FYXUZQMQOMTSFC-UHFFFAOYSA-N 349.434 4.129 0 40 EIAB O=C(O)c1ccccc1SCC(=O)C12CC3CC(CC(C3)C1)C2 5520135 OSDNDSJWYFQYNK-UHFFFAOYSA-N 330.449 4.262 0 40 EIAB C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 5528775 NWHZVSMGAGNZPB-NSHDSACASA-N 343.345 4.156 0 40 EIAB CCSc1nnc(-c2cccs2)n1-c1cc(C)ccc1OC 6785164 FXSJUVSYCCERPW-UHFFFAOYSA-N 331.466 4.425 0 40 EIAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)o2)cc1 6939263 IQFGNSRWRJBWRI-UHFFFAOYSA-N 338.367 4.088 0 40 EIAB Cc1c(-c2ccccc2)sc2ncn(Cc3ccccc3)c(=O)c12 7015807 LBACLPUWOGILMN-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)CCc1nc2ccccc2s1 7829672 GXFRREOWQMFXKM-LBPRGKRZSA-N 342.489 4.436 0 40 EIAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccn1 8073304 KVQMOLKGVBCTGG-UHFFFAOYSA-N 344.414 4.028 0 40 EIAB O=C(Nc1cccnc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383067 MJMLETRAFRZPQX-UHFFFAOYSA-N 336.778 4.218 0 40 EIAB C[C@H]1CCCCN1c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 9064404 NAUYGNUIZGUQGM-JTQLQIEISA-N 335.662 4.374 0 40 EIAB CCCCN1C(=O)c2cccc3c(NC(=O)c4cc(C)on4)ccc1c23 9206257 CRESQBXCHSKGJZ-UHFFFAOYSA-N 349.390 4.149 0 40 EIAB CC(C)CC[C@@]1(CC(=O)NCc2cccnc2)CCO[C@H](C(C)C)C1 9423641 WKIGNWKCNUIPNI-PZJWPPBQSA-N 346.515 4.346 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(Br)cc1F 9614087 PVKBNJRJZZTGGV-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB Cc1occc1-c1nc(N2CCCCCC2)ncc1-c1ccncc1 12222832 JZEPEOSPAMMENL-UHFFFAOYSA-N 334.423 4.487 0 40 EIAB Cc1nc2ccccc2n1C1CCN(C(=O)NC2CCCCC2)CC1 12640126 ZSMFBOKGMFVTDS-UHFFFAOYSA-N 340.471 4.024 0 40 EIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(F)cc1 12914816 OMDLBKFZPOIHGD-UHFFFAOYSA-N 344.367 4.293 0 40 EIAB CCn1c(COc2ccccc2)nnc1SCc1cccc(C)c1 14087715 ZZMXWGVWTVMPMR-UHFFFAOYSA-N 339.464 4.478 0 40 EIAB Cc1nnc(SCc2csc(-c3cccs3)n2)n1C1CC1 14250074 JRODBEQNDGOCMI-UHFFFAOYSA-N 334.495 4.399 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2c(C)cccc2C)c(F)c1F 14258147 DZGOFYINUKTTLB-UHFFFAOYSA-N 327.277 4.121 0 40 EIAB CCCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23379484 HGZMPTMNXWRJNE-UHFFFAOYSA-N 336.479 4.110 0 40 EIAB Cc1occc1C(=O)Nc1nc2ccccc2n1Cc1ccccc1 27923058 CSZPACATGRAROW-UHFFFAOYSA-N 331.375 4.238 0 40 EIAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(C)C)cc1 27978715 DNCHBGULMHISFB-KRWDZBQOSA-N 341.407 4.335 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1cccc2c1CCCC2 28795096 VQCIHEBAOBBBLM-HNNXBMFYSA-N 338.451 4.322 0 40 EIAB Cc1nc2ccc(C(=O)Nc3ccc(C)c4ncccc34)cc2nc1C 32908724 HBBQHAUVILTVMJ-UHFFFAOYSA-N 342.402 4.356 0 40 EIAB CC(C)COc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 41155833 RFISQUSHXGXNSS-HNNXBMFYSA-N 325.408 4.149 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C)ccc1OC 44904892 VWQLPYMVVXXGQR-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB COc1cc(C)c([C@@H](C)NC(=O)c2c(C)oc(C)c2C)cc1OC 48286677 QPWCUEZFFDOOIT-GFCCVEGCSA-N 331.412 4.021 0 40 EIAB Cc1ccccc1C1(CNC(=O)c2ccccc2Cl)CCOCC1 55760536 RDOMORFBPXIFDT-UHFFFAOYSA-N 343.854 4.127 0 40 EIAB COC(=O)N(C)c1ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 56449501 DEGGYMYEVUKVGD-HOTGVXAUSA-N 330.428 4.066 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1F 57412349 TVESSPFTMCECKC-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB O=C(NCCNc1ccc2ccccc2n1)Nc1ccc(Cl)cc1 58006274 UUXYZNIFHYXMSW-UHFFFAOYSA-N 340.814 4.122 0 40 EIAB CC(C)c1nc(CCNC(=O)[C@H](C)SCc2ccccc2)cs1 58246801 KIYNUXCCACNITB-AWEZNQCLSA-N 348.537 4.247 0 40 EIAB Cc1cn2cc(NC(=O)c3cc4c(s3)CCCCC4)ccc2n1 58406635 VQHHPORQGOTPQS-UHFFFAOYSA-N 325.437 4.225 0 40 EIAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1F 58431801 CWNIMYNRLCINPI-UHFFFAOYSA-N 332.806 4.327 0 40 EIAB FC(F)(F)c1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 61718237 ALAWMYZXNCFFFP-UHFFFAOYSA-N 336.298 4.132 0 40 EIAB CC(C)(C)Cc1nc(CCNc2ccc(C(F)(F)F)cc2)n[nH]1 62719336 IMRBXHKMIYNCMK-UHFFFAOYSA-N 326.366 4.067 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)CCCN2C 64844956 JKLGBXTWDZXZJG-UHFFFAOYSA-N 349.356 4.044 0 40 EIAB CC(C)(C(=O)Nc1ccc(NC2CCOCC2)cc1)c1ccccc1 69352127 JZYKBCZNMIHQIF-UHFFFAOYSA-N 338.451 4.194 0 40 EIAB COc1ccc(Br)cc1CN1c2ccccc2C[C@H]1C 70137984 QHSRUPDPKSPVEQ-GFCCVEGCSA-N 332.241 4.409 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)Cc2cccc(C)c2)cc1 72331180 BEHYJKUKDHLIEM-UHFFFAOYSA-N 339.435 4.062 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C)c1 72331306 PCTCPLPSHNSBTD-UHFFFAOYSA-N 346.833 4.058 0 40 EIAB C[C@H](NC(=O)Nc1cccc(C2SCCS2)c1)c1ccccn1 78248621 VLCRDNHRXZKUDF-LBPRGKRZSA-N 345.493 4.443 0 40 EIAB CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccccn2)s1 86428806 IZYOPJBWISDIMJ-QWHCGFSZSA-N 344.484 4.097 0 40 EIAB Cc1ccc2c(c1)C1(CCN(C(=O)OCc3ccccc3)CC1)CN2 91297395 HWOPIKPGZDTYJV-UHFFFAOYSA-N 336.435 4.091 0 40 EIAB Cc1csc([C@H]2CN(Cc3ccc(-c4ccccc4)o3)CCO2)n1 92789709 MZHPVMLYFXGRNQ-GOSISDBHSA-N 340.448 4.285 0 40 EIAB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc(C)n1 95418980 FMWGKRAJDPOFKD-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB Cc1nnc(NCc2ccc(-c3cccc(Cl)c3Cl)o2)n1C 95943677 IKBDJZLAHHBTJC-UHFFFAOYSA-N 337.210 4.302 0 40 EIAB COc1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)c(C)c1 96137029 CXAFVWAGWBYWSJ-CMDGGOBGSA-N 345.464 4.341 0 40 EIAB Cc1oc(-c2cccs2)nc1C[S@@](=O)CCc1ccccc1 96404321 QAYSUSQRRXTKJM-JOCHJYFZSA-N 331.462 4.203 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 102677413 NAORKALMWGJFTQ-XYPYXGAPSA-N 348.229 4.251 0 40 EIAB COc1ccccc1CN(C)C(=O)/C(=C/c1ccco1)c1ccccc1 215819616 RNQLVHMPSKJAAM-HMMYKYKNSA-N 347.414 4.487 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1Cl 225177828 RDNCMCKTWAJHNU-UHFFFAOYSA-N 347.842 4.164 0 40 EIAB CCCCOc1ccc(NC(=O)NCc2sc(C)nc2C)cc1 225586897 PYNDECNEHRQYNG-UHFFFAOYSA-N 333.457 4.261 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2c1 225823333 JYHYLGRHZUAROJ-UHFFFAOYSA-N 347.823 4.303 0 40 EIAB CC(C)c1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408707439 AXVJFPLZCFMYHZ-UHFFFAOYSA-N 344.499 4.470 0 40 EIAB Cc1ccc(N(C(=O)c2csc3cncn23)C2CCCCC2)nc1 510861778 HTOOYLMJXBICAE-UHFFFAOYSA-N 340.452 4.079 0 40 EIAB Cc1cc2ccccc2c(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1 585082761 ZUINPEXEUIYQRG-UXHICEINSA-N 332.447 4.146 0 40 EIAB O=C(O)c1sc2cccc(Br)c2c1C(F)(F)F 1083097785 FQBIAIBARLIQMY-UHFFFAOYSA-N 325.105 4.381 0 40 EIAB O=C(Nc1ncccc1-c1ccccc1)[C@H]1COc2ccc(F)cc2C1 1116513810 XZXBTIBDKZWYLV-MRXNPFEDSA-N 348.377 4.078 0 40 EIAB O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 314670 RPBVHEVTQXVWDL-ZHACJKMWSA-N 330.343 4.383 0 40 EIAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NC(C)(C)C 412588 YZFGDEKMBJCHNN-UHFFFAOYSA-N 330.497 4.421 0 40 EIAB COc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1 492591 NLKQOQPQCOLHSP-UHFFFAOYSA-N 329.423 4.259 0 40 EIAB FC(F)(F)C1(C(F)(F)F)N=C2C=CC=CN2C(c2ccccc2)=N1 509284 VQWDGSAAHAAYOK-UHFFFAOYSA-N 345.246 4.052 0 40 EIAB Cc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn23)c1 532161 HDMAIYXTTTVEQJ-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB COc1cccc(-n2cnc3sc(-c4ccccc4)cc3c2=O)c1 798343 VZTDVCPIGYMCFR-UHFFFAOYSA-N 334.400 4.123 0 40 EIAB Cc1ccc(Cn2nc(C)c(NC(=O)/C=C/c3ccco3)c2C)cc1 999859 JZLXLLAJYQSCTR-ZHACJKMWSA-N 335.407 4.102 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 1240963 SIIASTIMVKRMRA-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=C(c1cccc(Br)c1)c1ccccc1Br 2567529 BTFQDVSPLSTAFG-UHFFFAOYSA-N 340.014 4.443 0 40 EIAB COc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 2633858 OWQDRHQLZUCHAV-UHFFFAOYSA-N 348.402 4.456 0 40 EIAB Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 3066062 QFPJDVSFWOKZFV-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc2ccccc2c1 5031848 HSKJXPPLCFKTDU-UHFFFAOYSA-N 341.823 4.015 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5241460 JODNRZRRIRWIBE-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1ccc(-n2cccc2)cc1 5260671 ANYPECHTDQKTIA-UHFFFAOYSA-N 334.400 4.444 0 40 EIAB O=Cc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 5552942 KEQAAOFPPDIOSN-NVNXTCNLSA-N 343.791 4.393 0 40 EIAB CN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 5586200 PGTNHUIEEDCSRN-WQRHYEAKSA-N 348.427 4.356 0 40 EIAB Nc1nnc(SCCSc2cc(Cl)ccc2Cl)s1 5636747 DLVJIXSMNRZHRP-UHFFFAOYSA-N 338.310 4.312 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 6249002 KPRWXCJWJGGTHC-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB Cc1ccc(NCc2nnc(S)n2-c2cccc(Cl)c2)cc1 6533820 WBQFASRJWPIWST-UHFFFAOYSA-N 330.844 4.130 0 40 EIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6965691 BIMXXFCRUQIDSI-JMERFSKESA-N 349.386 4.218 0 40 EIAB COc1ccc(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 7791222 KUPTVHLLHMCCDZ-CYBMUJFWSA-N 331.437 4.206 0 40 EIAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 9315926 QJMDRBLLBIEVQY-UHFFFAOYSA-N 348.805 4.213 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 9694908 WLJNFANFJKIFPR-UHFFFAOYSA-N 331.824 4.435 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CSC(C)(C)C 9795692 ZGHOEWTWEGXQMB-LBPRGKRZSA-N 333.453 4.122 0 40 EIAB c1ccn2cc(CSc3nnc(NC4CCCCC4)s3)nc2c1 9910574 BHEAPMGBNLTEQF-UHFFFAOYSA-N 345.497 4.223 0 40 EIAB CN(C)c1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 11693609 WLNBFEXEHZXPEY-UHFFFAOYSA-N 337.250 4.032 0 40 EIAB O=C(O)c1cccc(COc2ccccc2C(=O)Nc2ccccc2)c1 11801378 OQJIYCFWRNEUMC-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB COc1cccc(/C=C/C(=O)O)c1OCc1c(F)cccc1Cl 11960947 RWTHASAOVCABMK-CMDGGOBGSA-N 336.746 4.165 0 40 EIAB COc1cc(C(=O)CCNc2cccc(Cl)c2)cc(OC)c1OC 12418499 MGFFDRJIQFLUKK-UHFFFAOYSA-N 349.814 4.051 0 40 EIAB biogenic,in-vitro Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C 12756342 LEUUPOUZCIQVPF-QGZVFWFLSA-N 325.408 4.114 0 40 EIAB CC(=O)O[C@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 13123150 BQCNQBZBDPWOLJ-MRXNPFEDSA-N 333.428 4.001 0 40 EIAB Sc1nc(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1 13534264 JLPTVITUTADNRV-UHFFFAOYSA-N 338.823 4.425 0 40 EIAB Cc1ccccc1Cc1c(C)[nH]c2c(-c3ccccc3)c(C)nn2c1=O 13828478 WQLWBPZRIKUABU-UHFFFAOYSA-N 343.430 4.206 0 40 EIAB c1ccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 19371986 CDXYRMUILHXPIA-OAHLLOKOSA-N 325.437 4.178 0 40 EIAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(Cl)ccc1Cl 22014693 HMMWABFMSFKZLL-LLVKDONJSA-N 334.199 4.034 0 40 EIAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccn1)c1ccccc1 23058422 RITBRYVTIQYLMQ-NRFANRHFSA-N 341.414 4.277 0 40 EIAB Fc1cc2c(c(CSc3nc(-c4ccccc4)c[nH]3)c1)OCOC2 27660610 ZVIOCHZMHOHTAL-UHFFFAOYSA-N 342.395 4.375 0 40 EIAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccoc1C 28224878 AYNWODKKPWAIIR-UHFFFAOYSA-N 343.814 4.355 0 40 EIAB Fc1ccc([C@@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)cc1 29657573 LVPXVEDFENXEOB-KRWDZBQOSA-N 344.411 4.116 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1 30753945 MSZRBKIKLZYXIO-HNNXBMFYSA-N 338.234 4.467 0 40 EIAB Cc1cccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)c1C 32930348 RSKBFURFDVTVST-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 38751986 HLPBDCVEUDKDOU-UHFFFAOYSA-N 338.451 4.013 0 40 EIAB C[C@@H](CCN1CCOCC1)c1ccc(COc2ccccc2)cc1 38928087 LFTCCKXNJAFWEE-SFHVURJKSA-N 325.452 4.091 0 40 EIAB biogenic COc1cc(CN[C@H]2CCCC[C@H]2C(C)(C)C)cc(OC)c1OC 39979625 IMBLOKVOKWQGAT-CVEARBPZSA-N 335.488 4.407 0 40 EIAB CC[C@H](C(=O)Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1 42701567 DXKDGNBUIJJAAR-FQEVSTJZSA-N 346.430 4.029 0 40 EIAB COc1cccc(OCCNC(=O)c2ccccc2SC(C)C)c1 45526187 AQTPOCXMACPYRW-UHFFFAOYSA-N 345.464 4.005 0 40 EIAB O=C(Nc1ccc2ncccc2c1)c1csc(Br)c1 48189795 YDBHYDUXWOTXAN-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2cc(C)ccc21 57354783 KBNPYONLASJEOE-UHFFFAOYSA-N 345.402 4.355 0 40 EIAB CC(C)(C)c1ncc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cn1 58412284 RLWVQUWDIPEAJO-KBPBESRZSA-N 329.831 4.170 0 40 EIAB COC(=O)c1ccc(OC)cc1OCc1ccccc1C(F)(F)F 68675274 FBIYBZBWRWKRDN-UHFFFAOYSA-N 340.297 4.080 0 40 EIAB Cc1ccoc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 69843786 YXAXMVBJRXUWNE-UHFFFAOYSA-N 346.814 4.120 0 40 EIAB COc1ccc(C)c(NC(=S)Nc2cc(Cl)ccc2OC)c1 71761625 POXLJLOCBMMBES-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(COC)n1 71844369 JEVLESHCHHKJEU-DOTOQJQBSA-N 344.480 4.088 0 40 EIAB Cc1csc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)n1 72281496 ALJIETKRNXQNRI-UHFFFAOYSA-N 338.480 4.196 0 40 EIAB Cc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccncc3)cs2)c1 72406331 CKYZZSXIAGZCQD-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB CN1CCC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 74921062 KBGNBAXXZSKBCE-UHFFFAOYSA-N 334.769 4.029 0 40 EIAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Oc2cnccn2)c1 76619693 XLNGBONCGZQDRH-VKJFTORMSA-N 337.423 4.062 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2ccc(F)cc2OCC2CC2)c1C 78937840 BZHZAYPPCHWKQJ-UHFFFAOYSA-N 346.406 4.092 0 40 EIAB COc1ccc(-c2nc(C)c([C@@H](C)NCc3cc[nH]c3)s2)cc1 86254129 OWPIHGNIDKNMLI-GFCCVEGCSA-N 327.453 4.306 0 40 EIAB O=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@H](CCO)C1 89780540 AMWZSSPHPGTOGH-OAHLLOKOSA-N 348.512 4.099 0 40 EIAB CCC(=O)N1CC[C@H](NCc2csc3ccccc23)[C@H](CC)C1 89949171 OPTASWMFBKSHDM-PBHICJAKSA-N 330.497 4.028 0 40 EIAB CC(C)[C@H](NC(=O)c1cccc2c1ccn2C)c1nc2ccccc2[nH]1 96231443 QXWRJVRBGUPQPW-IBGZPJMESA-N 346.434 4.182 0 40 EIAB CO[C@@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)c1ccccc1 101847174 XGIVTAXGFBNFHM-HXUWFJFHSA-N 332.403 4.383 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCc2sccc2[C@@H]1c1cccs1 102504706 JKJGXPKYGPFPOM-FHKFTOANSA-N 341.501 4.496 0 40 EIAB C[C@H]1CC2=Nc3nonc3N[C@@H](c3ccc4ncccc4c3)C2=C(O)C1 102602627 XZKYGSHMXHSJRY-BTDLBPIBSA-N 347.378 4.099 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c(C)c1 103814497 CWSOSCYIFYAMMI-VXXGZENSSA-N 345.442 4.233 0 40 EIAB Cc1ccncc1NC(=O)c1oc2ccc(Br)cc2c1C 104452587 JGZKMQTXQWVLAF-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB CCOC(=O)c1ccc(OCc2cccc(Br)c2)cc1 105662391 YAZODZHCCWTHQO-UHFFFAOYSA-N 335.197 4.205 0 40 EIAB CC1=NC[C@]23CC(=O)[C@H]4[C@@H](CC[C@]5(C)C[C@@H](O)CC[C@]45C)[C@@H]2CC[C@H]13 118936324 VHGQZHONFLYAGQ-QKOAPOBHSA-N 343.511 4.030 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1 148224521 MWQKRNABRDXZRF-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB COCCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccn1 182286698 VMRURPDYHDQBAA-UHFFFAOYSA-N 348.402 4.026 0 40 EIAB CSc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 198452027 HVEFWFDKVJVMKB-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB COc1ccc(C(N)=O)cc1COc1ccc(-c2ccccc2)cc1 224212811 DVTRMEWWIGRAOU-UHFFFAOYSA-N 333.387 4.040 0 40 EIAB Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1C 224697015 YNRDMMSYAWOBTO-UHFFFAOYSA-N 325.452 4.453 0 40 EIAB CC(C)CSc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 225159050 RYCFNTQCJOOWDF-UHFFFAOYSA-N 341.889 4.121 0 40 EIAB CCOc1ccccc1NC(=O)CCCc1ccc(OC)cc1C 408911347 KEVIOUDMCMYPSG-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB C[C@H](NC(=O)c1cccc2c3c([nH]c12)CCCC3)c1cncc(F)c1 457898315 ZODIBCUSYWCPSO-LBPRGKRZSA-N 337.398 4.072 0 40 EIAB O=Cc1nc(Br)c(-c2ccc(OC3CCCCC3)cc2)[nH]1 1857794719 IFDNLRZOJDSCHT-UHFFFAOYSA-N 349.228 4.363 0 40 EIAB CC(C)c1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2n1C 45189 LJKNDIQVTNIZLP-UHFFFAOYSA-N 334.375 4.176 0 40 EIAB biogenic CN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 67805 XDWAFJDXCQHXTH-UHFFFAOYSA-N 344.414 4.240 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 266069 IJSQPCBSRQHHAL-UHFFFAOYSA-N 345.398 4.487 0 40 EIAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1370442 RCNLQZJPDPOWGA-SFTDATJTSA-N 348.490 4.311 0 40 EIAB Brc1ccc(C2=CSC(c3ccccc3)=NN2)cc1 2488326 YXIMYMDAUAJTAL-UHFFFAOYSA-N 331.238 4.446 0 40 EIAB COc1cc(C)c(CSc2ncnc3sccc23)cc1OC 3430015 PPUUHFBDKYESGR-UHFFFAOYSA-N 332.450 4.309 0 40 EIAB Cc1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 3606912 WVQWBQHKSAEQIC-UHFFFAOYSA-N 331.415 4.280 0 40 EIAB CCCCOc1ccc(-c2nnc3n2N[C@@H](c2ccco2)S3)cc1 3843268 UJCRQMWCQMVEMO-MRXNPFEDSA-N 342.424 4.065 0 40 EIAB biogenic CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3cccs3)nnc12 4169406 OAWOUVDHUZTGIK-DYZYQPBXSA-N 345.493 4.083 0 40 EIAB Cc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1 4302100 ZVFVQGJMFAKUDH-UHFFFAOYSA-N 333.347 4.025 0 40 EIAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O 5241901 MSDQUZANKVBTGT-LJQANCHMSA-N 349.434 4.110 0 40 EIAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)c1ccc(F)cc1 6436872 TUMUXGHDEJXMBO-GFCCVEGCSA-N 332.396 4.351 0 40 EIAB COc1ccccc1OCCCN1CCCC[C@H]1c1cccnc1 6624650 ADUGBERARZJNJN-SFHVURJKSA-N 326.440 4.086 0 40 EIAB biogenic Cc1ccccc1NC(=S)N[C@@H](C)c1ccc(-n2ccnc2)cc1 6653441 QQSMKMDWBPHHSS-HNNXBMFYSA-N 336.464 4.228 0 40 EIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(OC(F)F)c1 6882305 FPROPEPYYJUACA-UHFFFAOYSA-N 335.394 4.234 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1Cl 7706320 OQMKTVJEJUUBCP-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 8550637 GQYHFDQATZUFKP-UHFFFAOYSA-N 339.420 4.128 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 9064403 NAUYGNUIZGUQGM-SNVBAGLBSA-N 335.662 4.374 0 40 EIAB C[C@H]1S[C@@H](c2ccccc2)N(c2nc3ccccc3s2)C1=O 9227212 GCGRKQMTLZEACL-BZNIZROVSA-N 326.446 4.463 0 40 EIAB Cc1cnc(NC(=O)c2nc(-c3ccccc3F)sc2C)s1 11691888 YEAWSBUFGNDZOX-UHFFFAOYSA-N 333.413 4.275 0 40 EIAB CCOc1cccc(C(=O)N(Cc2cccs2)c2ccccn2)c1 11917377 IADCCSGMJBYREZ-UHFFFAOYSA-N 338.432 4.389 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCCSc2ccccc2)cc1 14164519 AXFMFWBCUGQUNE-UHFFFAOYSA-N 329.465 4.386 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 15350766 YENCIGHEQJWGDO-UHFFFAOYSA-N 346.224 4.359 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC=C(c1ccccc1)S3 16755289 SPJSAHSLFVFUHA-UHFFFAOYSA-N 326.446 4.222 0 40 EIAB Cc1ccc([C@H](O)CN2CCC(Oc3ccccc3F)CC2)c(C)c1 19132380 AWBJJOKBLWNPEA-HXUWFJFHSA-N 343.442 4.019 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)CCc1ccccc1 20462426 RAMCTFGHNJZZOK-BEFAXECRSA-N 329.415 4.121 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc(C)c1Cl 20481137 DDSWADYIURDSRG-CYBMUJFWSA-N 335.806 4.352 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CCSc2ccccc2)cc1OC 20492441 BGLQYMXCPYYURY-CQSZACIVSA-N 345.464 4.063 0 40 EIAB O=C(NC1CCCCCCC1)c1c[nH]c(=S)n1-c1ccccc1 26538212 OCYKCPQJSLFDLY-UHFFFAOYSA-N 329.469 4.378 0 40 EIAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1occc1-c1ccccc1 27838472 DWRRRJBYEIYBCL-QGZVFWFLSA-N 346.430 4.203 0 40 EIAB Cc1cccc(Cn2ccc(NC(=O)Cc3ccc(Cl)cc3)n2)c1 28247428 FHGNCBMQWVQANR-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1cc(F)cc(F)c1 31621455 HTASJCASZPUTHH-UHFFFAOYSA-N 330.378 4.203 0 40 EIAB c1ccc2nc(N3CCN(Cc4c[nH]c5ccccc45)CC3)ccc2c1 33872213 JDBVHYBVEROAAP-UHFFFAOYSA-N 342.446 4.038 0 40 EIAB C[C@@H](CNC(=O)c1occc1-c1ccccc1)N(C)c1ccccc1 40108017 AJJKKDHCJDHNRI-INIZCTEOSA-N 334.419 4.201 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)NCCc1cccs1 40160169 JZTFMZJBJHAOFN-UHFFFAOYSA-N 325.886 4.243 0 40 EIAB C[C@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1 43362402 HTXJYPARGVOMLQ-VIFPVBQESA-N 341.745 4.219 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1C 44840078 MERHZGJRWGITRZ-INIZCTEOSA-N 345.870 4.473 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1cccnc1Oc1ccccc1 47890749 KOUYGQJOYQGIID-UHFFFAOYSA-N 337.379 4.050 0 40 EIAB CCCCCOc1ccc([C@H](C)NC(=O)c2ccco2)cc1OC 48518151 MUJXJGJVJOXOIL-AWEZNQCLSA-N 331.412 4.348 0 40 EIAB O=C(/C=C/c1nccs1)OCc1csc(C2CCCCC2)n1 51972038 SWWAGAZWEAGQIF-VOTSOKGWSA-N 334.466 4.404 0 40 EIAB Cc1ccc(CN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C2CC2)o1 53989710 SQOGEMXYDNYUAI-UHFFFAOYSA-N 341.436 4.153 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cn1 58314145 UVEKIEYOOXSCFJ-UHFFFAOYSA-N 342.402 4.196 0 40 EIAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NOCc3ccccc3)c2C1 58393951 UZYRLSUTIIANET-OAHLLOKOSA-N 346.430 4.221 0 40 EIAB O=C(Nc1cccc(SC(F)F)c1)c1c[nH]c2ccccc2c1=O 66782579 ADMHVGKDASIMJY-UHFFFAOYSA-N 346.358 4.095 0 40 EIAB COCCc1ccc(Oc2ccc(NC(=O)c3cc[nH]c3)cc2)cc1 68447612 QKKCVYDZVPYXTI-UHFFFAOYSA-N 336.391 4.248 0 40 EIAB O=C(CC(F)(F)F)N1CCC[C@H]1c1ccccc1C(F)(F)F 69739305 JWMAVBKYQCNWJL-NSHDSACASA-N 325.252 4.321 0 40 EIAB Cc1nc(NC(=O)c2cc(-c3cccc(Cl)c3)nn2C)sc1C 72404853 WMIKGBNCPABOEZ-UHFFFAOYSA-N 346.843 4.066 0 40 EIAB O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccc1 95951707 MODPAPWMWURKBP-CLAROIROSA-N 339.454 4.345 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)o1 95957302 IVXDWTPXIKDHQC-JTQLQIEISA-N 325.330 4.276 0 40 EIAB c1coc(CN2CCC3(CC2)C[C@H](c2cncnc2)c2ccccc23)c1 96241591 IMPHSASMWGPJHS-HXUWFJFHSA-N 345.446 4.139 0 40 EIAB O=C(Cc1ccc(O)cc1)N[C@H](Cc1ccccc1)c1ccccc1 98080218 PVFHXAJFCNZFKW-OAQYLSRUSA-N 331.415 4.035 0 40 EIAB COc1ccc(-c2nc(S)c(-c3ccc(C)cc3)[nH]2)cc1OC 102922348 NPXORBIRJLSDBU-UHFFFAOYSA-N 326.421 4.358 0 40 EIAB c1csc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)c1 107752066 MLZRAKKTHLMVRT-UXHICEINSA-N 349.540 4.326 0 40 EIAB Cc1n[nH]c(C)c1C(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206881137 OQUNMHGRRWCRDK-HNNXBMFYSA-N 331.847 4.090 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccc(C)cc1 216346573 QJHCONPYLDXSOR-GOSISDBHSA-N 347.455 4.200 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCCSC2CCCCC2)c1 218965608 RQWRPJNDGSHXSQ-UHFFFAOYSA-N 335.513 4.173 0 40 EIAB O=C(CCc1ccccc1)N1CCS[C@@H](c2cccs2)CC1 219488912 HHUYXZVCYCHYCE-QGZVFWFLSA-N 331.506 4.388 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)NCCc1ccccc1 222550479 KTKAITQCGPIDIW-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB CCCC[C@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C 223226191 LMMZGBXRUPOYMD-QGZVFWFLSA-N 331.456 4.429 0 40 EIAB Cc1ccc(CNC(=S)Nc2ncc(Cl)c(C)c2Cl)cc1 223942474 BWFDZCCHAWEAFT-UHFFFAOYSA-N 340.279 4.492 0 40 EIAB CCCNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224332865 JRAZBMLPMFOEDX-UHFFFAOYSA-N 329.465 4.436 0 40 EIAB CCOc1ccc(NC(=S)NCCSC2CCCCC2)cc1 225356831 ZZOAXSCKXDVOFK-UHFFFAOYSA-N 338.542 4.438 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)n1cc(C=O)c2ccccc21 225691755 HZVOGETYCFXTJK-UHFFFAOYSA-N 327.767 4.135 0 40 EIAB CC(C)N1CCC[C@@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 257291626 QHXCZYAGGFTMRH-QGZVFWFLSA-N 343.471 4.286 0 40 EIAB Cc1ccc(CSCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408577340 ZHRZFAJOZMEVPV-KRWDZBQOSA-N 327.493 4.366 0 40 EIAB COc1ccc(-n2c(C)nnc2SCc2ccccc2F)cc1 409094859 GKYKNUFMAXTUAW-UHFFFAOYSA-N 329.400 4.016 0 40 EIAB COc1ccc2cc(NC(=O)[C@H](CC(C)C)n3cccc3)cnc2c1 575443338 UGZXCGAKFXLNOP-IBGZPJMESA-N 337.423 4.271 0 40 EIAB O=C(Cc1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1ncon1 615123502 QPNZADPRFIENIK-GOSISDBHSA-N 339.439 4.024 0 40 EIAB CCOC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1581237 YNLFSUXIAWCHSI-UHFFFAOYSA-N 327.203 4.141 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 1943847 LWFMAIXYOLNKQC-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Oc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 2196876 OINDMQUBCHKTKG-UHFFFAOYSA-N 338.370 4.317 0 40 EIAB CCCCc1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2204866 IZVXRRFISSYCQH-IBGZPJMESA-N 341.407 4.328 0 40 EIAB COc1cccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)c1 2716041 IOZXWTVPIGGDDD-UHFFFAOYSA-N 336.416 4.446 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(Br)cc2)cc1 3298674 XLHMMLIYPAWXKB-GFCCVEGCSA-N 347.256 4.451 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)c1 4179210 KTIYWLNOCNYWMN-LOHFZDIYSA-N 347.414 4.323 0 40 EIAB CCN(C(=O)c1ccc2ccccc2c1OC(C)=O)c1ccccc1 4211624 XKWFQYZURYBXIV-UHFFFAOYSA-N 333.387 4.432 0 40 EIAB CCc1ccc(-c2n[nH]c(SCCOc3ccccc3F)n2)cc1 5178974 UVRQMXFUUKNJIB-UHFFFAOYSA-N 343.427 4.344 0 40 EIAB Cc1ccc2cccc(OCC(=O)Nc3ccccc3Cl)c2n1 5198585 ILKFCIZEHXXHHF-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB COCCn1cc(NC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc21 5266465 OXQZGUHIEPZPPK-HNNXBMFYSA-N 349.434 4.271 0 40 EIAB COc1ccccc1C(=O)CSc1nnc(-c2ccccc2C)o1 5434807 VOURRPBPDPLRTH-UHFFFAOYSA-N 340.404 4.029 0 40 EIAB Cc1ccc(OCCSCC(=O)Nc2ccc(Cl)cc2)cc1 5555952 QAWDDNVKWDDARH-UHFFFAOYSA-N 335.856 4.399 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Nc1ccc2conc2c1 6654645 JKVFGZWRYQWKDG-UHFFFAOYSA-N 325.437 4.437 0 40 EIAB Cc1cccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)c1 7499920 JFYYAUYGQNLDGS-UHFFFAOYSA-N 341.461 4.411 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 8324898 ZEBXFXTURDPIGR-UHFFFAOYSA-N 336.435 4.129 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1C 8424733 DSFKLUYFTOGTTP-UHFFFAOYSA-N 327.815 4.199 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=S)Nc1ccccc1 8556766 WDWGXMHUYKEVTP-UHFFFAOYSA-N 327.453 4.024 0 40 EIAB CN(CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1N1CCCC1 8779846 HJPCLRLKSCDCMY-UHFFFAOYSA-N 347.462 4.083 0 40 EIAB CC(C)C[C@@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 9115218 USQVAQQIISBGFI-MRXNPFEDSA-N 327.453 4.071 0 40 EIAB Cc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)c(C)c1 9956096 UYAJYGWSVZYDFJ-MDZDMXLPSA-N 330.431 4.383 0 40 EIAB O=C(CSc1ccccn1)Nc1ccccc1SC(F)F 9967735 JMKIYHAIUVDVJF-UHFFFAOYSA-N 326.393 4.127 0 40 EIAB O=C(CSc1nc2ccccc2s1)N1CCc2sccc2C1 10922746 FWWNHNPMDGCHOI-UHFFFAOYSA-N 346.502 4.035 0 40 EIAB COC(=O)c1ccccc1SCc1ccc(O)c2ncccc12 12417884 YQIUXHZXMUZZAQ-UHFFFAOYSA-N 325.389 4.019 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(F)c1 12538493 ZTEMSHDYMXBUAP-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 12540525 MEESDVCXDOAKFL-SNVBAGLBSA-N 333.313 4.073 0 40 EIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1Cl 13304746 PLCBAAFOBRUHFI-QFBILLFUSA-N 340.854 4.097 0 40 EIAB COC(=O)c1c(NC(=O)c2c(F)cccc2Cl)sc(C)c1C 13325381 XOJDMBIFSZYHRM-UHFFFAOYSA-N 341.791 4.196 0 40 EIAB Cc1cnc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)s1 14014003 ZMOFSJXFWISIKE-UHFFFAOYSA-N 333.413 4.051 0 40 EIAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 14367517 COIUPCGBUOCGOH-GFCCVEGCSA-N 346.789 4.009 0 40 EIAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc1 14857354 XYUWMCPXFUAHOT-UHFFFAOYSA-N 339.370 4.009 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3nsnc3c2)ccc1Cl 15841249 MNTKNVBJTUEXON-JTQLQIEISA-N 347.827 4.059 0 40 EIAB CC(=O)c1ccc(OC(=O)c2csc(-c3cccs3)n2)cc1 18077052 HCAWVOYIUQWKFS-UHFFFAOYSA-N 329.402 4.293 0 40 EIAB Clc1ccc(CNCc2ccc(-n3ccnc3)cc2)c(Cl)c1 22772014 HOBLZEIUWLCYLJ-UHFFFAOYSA-N 332.234 4.469 0 40 EIAB CC(=O)N[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1Cl)C(C)C 24042978 XCPNTEOEVIWEQT-SFHVURJKSA-N 345.826 4.073 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 24595420 QHZUCDXZXTWNQQ-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB O=C(CSCc1ccc(Cl)s1)Nc1ccc(Cl)cn1 26860197 OZUJGIXNAHQNEB-UHFFFAOYSA-N 333.265 4.322 0 40 EIAB O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccc(Cl)cc2)on1 27663319 MPZWVDBCTLUXMR-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 28910076 WNBOSROOIUTRHF-MRXNPFEDSA-N 337.341 4.179 0 40 EIAB Cc1c(C(=O)Nc2ccc(NC(N)=O)cc2)oc2c(Cl)cccc12 32901838 XFHZWONWXCMQNU-UHFFFAOYSA-N 343.770 4.138 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CCCc3cccc(F)c32)c(Cl)c1 40050472 QSAOSDKCEPLLLU-UHFFFAOYSA-N 346.833 4.487 0 40 EIAB COc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)cc(OC)c1 40097733 QIAYXCIBNUBMIC-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB Brc1cc(-c2ccccc2)ccc1OC[C@@H]1CCNC1 42770539 KKYGNSLNSGKEJU-CYBMUJFWSA-N 332.241 4.104 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(OC)cc1 44901509 RNRLEFVRQLOEFB-QAPCUYQASA-N 327.424 4.038 0 40 EIAB Cc1nnc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)s1 47938945 ABCPTZKXBUTIDE-UHFFFAOYSA-N 330.457 4.037 0 40 EIAB Fc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1F 49169309 ITOCDDATQYXWBC-HNNXBMFYSA-N 341.361 4.004 0 40 EIAB biogenic,in-vitro CCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 64580979 MDWDSQILIUOZMY-UHFFFAOYSA-N 325.799 4.340 0 40 EIAB C[C@@H](OC(=O)c1cccc2cnccc12)C(=O)c1ccc2c(c1)CCC2 72312551 FLDBGKZPOQOHCB-CQSZACIVSA-N 345.398 4.152 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC12CCN(Cc1ccccc1)CC2 72319848 SZNJCDSUYKNZSE-UHFFFAOYSA-N 344.499 4.442 0 40 EIAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2c[nH]c3ccccc23)n1 72322171 NPHBOIKXJOVMBI-KRWDZBQOSA-N 339.439 4.027 0 40 EIAB biogenic,in-vitro O=C(CCSc1ccc(F)cc1)N1CCC(C(F)(F)F)CC1 81313351 HTTNNNRMMFQTAG-UHFFFAOYSA-N 335.366 4.109 0 40 EIAB COCCN(Cc1ccoc1)C(=O)Nc1ccc(Cl)c(Cl)c1 85474517 CBTJOLJQHVCCAN-UHFFFAOYSA-N 343.210 4.267 0 40 EIAB FC1(F)CCN(Cc2ccoc2)C[C@]12CCN(c1ccccc1)C2 96051097 UJXYWASZNRCNOC-SFHVURJKSA-N 332.394 4.017 0 40 EIAB CC[C@H](C(=O)NCC[C@H](O)c1cc2ccccc2o1)c1ccccc1 96097217 OLXIKQTVKQHBEZ-ROUUACIJSA-N 337.419 4.166 0 40 EIAB C[C@@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@H]1c1ccccc1 96411492 CKVKMXUGIBCJGF-SUMWQHHRSA-N 341.436 4.008 0 40 EIAB Cc1csc([C@@H](C)CNC(=O)Nc2ccc3[nH]c(C)cc3c2)n1 97113244 DCRCDJMFOWHQLR-JTQLQIEISA-N 328.441 4.166 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@H](c2ccccc2)C1 102664528 XUZDIBCIARCKOC-OXJNMPFZSA-N 342.402 4.343 0 40 EIAB CCc1ccc([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)s1 126496596 YULWCCRXVZOZAI-CYBMUJFWSA-N 326.469 4.050 0 40 EIAB COc1ccc2oc([C@@H](C)NCc3nnc(C4CCC4)o3)c(C)c2c1 195561404 DSGFHNWSXMBWHF-GFCCVEGCSA-N 341.411 4.251 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)COc1ccccc1C 219313204 HTJZPKLLHAQZLZ-ZWKOTPCHSA-N 341.451 4.045 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1ccc(F)cc1 223665505 QOMPXQVNPUWQFR-JLHYYAGUSA-N 341.426 4.332 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NC[C@H](C)c1ccccc1 224422088 HYGCEBDFEMBYJS-DLBZAZTESA-N 325.452 4.497 0 40 EIAB Cc1ccc(Cl)cc1Nc1ccc(N)cc1C(=O)N1CCCC1 225473923 IWPBVYBSNOSYSR-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1Cl 225782242 GSENBAPTNNYYCW-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c2ncccc12 225904211 JLNJUBRSPRDOSP-IBGZPJMESA-N 330.428 4.167 0 40 EIAB O=C(NCc1ccnc(-c2cccnc2)c1)c1cccc2ccccc12 238893730 QVYYYQJDLANDIO-UHFFFAOYSA-N 339.398 4.227 0 40 EIAB Cc1nnc(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)s1 390834187 UGTPJZJPJJPWCM-UHFFFAOYSA-N 341.402 4.424 0 40 EIAB Cc1ccc(-c2cccc(CNC(=O)CCc3cncs3)c2)cc1 551829234 SNGVSZCYMRXCMH-UHFFFAOYSA-N 336.460 4.368 0 40 EIAB COc1cc(F)c([C@H](C)NCc2cccc3c2NCCC3)cc1OC 585136581 LSZIAHSUXHIEFE-ZDUSSCGKSA-N 344.430 4.052 0 40 EIAB C[C@H]1Cc2cc(/C=C3\N=C(c4ccccc4Cl)OC3=O)ccc2O1 99366 CUZIQNWIIUGDED-OKHBPPCESA-N 339.778 4.008 0 40 EIAB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccc(O)cc1 507442 VAHWSWFHVCNWEO-UHFFFAOYSA-N 348.789 4.412 0 40 EIAB O=C(Nc1nccs1)c1ccc(-c2cc3ccccc3oc2=O)cc1 539276 BEGXXDBAAQUNBX-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB CSc1nnc(-c2sccc2OCc2ccc(C)cc2)n1C 1395875 HVACUGYQMUTBDJ-UHFFFAOYSA-N 331.466 4.153 0 40 EIAB COc1ccc(C(=O)CCc2nc3ccccc3s2)cc1OC 1422501 IJIVCWQFPSYAIJ-UHFFFAOYSA-N 327.405 4.129 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 2650932 HCGUHLMTSOXTRM-UHFFFAOYSA-N 349.139 4.337 0 40 EIAB COC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1 3135989 JFEDURYPPNSWOP-UHFFFAOYSA-N 339.178 4.424 0 40 EIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 4108085 INSLXFYFKVXSQF-LLVKDONJSA-N 348.324 4.083 0 40 EIAB CC(C)(CO)NCc1c(OCc2ccccc2)ccc2ccccc12 4657408 GHIBHUJVAFDCIF-UHFFFAOYSA-N 335.447 4.279 0 40 EIAB C[C@@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 4998111 IHSWTDAQYKMNDX-LLVKDONJSA-N 333.819 4.148 0 40 EIAB CCCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 5235810 ZRPHMPAMUBXFGP-UHFFFAOYSA-N 339.439 4.182 0 40 EIAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 5533266 WSZZIVFDAUNYOR-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@]2(N3CCCC3)CCCC[C@H]12 5664716 WLUNTGWRRIECID-UNEWFSDZSA-N 342.266 4.402 0 40 EIAB O=C(NC[C@H]1CC1(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 5950504 CEOHLJLDAZQMNT-ZCFIWIBFSA-N 328.026 4.309 0 40 EIAB CC[C@@H](NC(=O)CSc1ccc(OC)cc1)c1ccc(C)cc1 7312584 XLEVBIFCFAHTNQ-GOSISDBHSA-N 329.465 4.363 0 40 EIAB CCc1cccc2c(C3=NN=C(NC4CCCC4)SC3)c[nH]c12 7849935 IJMOLXILRMZPHW-UHFFFAOYSA-N 326.469 4.069 0 40 EIAB CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 7920398 IBZRXFYYRGFDOI-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1 8300473 UJSGPMRFRCTSAX-TXPKVOOTSA-N 343.515 4.226 0 40 EIAB biogenic,in-vitro O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1F 8320322 HRLRULJAHABTAZ-CQSZACIVSA-N 338.835 4.316 0 40 EIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1F 8403273 RTJPWYPIOSXDHU-GFCCVEGCSA-N 328.362 4.256 0 40 EIAB COc1ccccc1[C@@H](C)N[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 8940142 QUOORQRBPDMIDV-CABCVRRESA-N 337.423 4.465 0 40 EIAB CCc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 9188014 WGSLYIHGQBDGIO-UHFFFAOYSA-N 344.911 4.400 0 40 EIAB COc1ccc(C(C)=O)c(OCc2coc(-c3cccs3)n2)c1 9365561 OQEDJBJZCCFHFV-UHFFFAOYSA-N 329.377 4.193 0 40 EIAB COc1cc(SC)ccc1C(=O)NCC1(c2ccccc2)CCC1 10221341 PMRDLXABSKTHAG-UHFFFAOYSA-N 341.476 4.269 0 40 EIAB O=C(CCSc1ccccc1)Nc1nnc(C2CCCCC2)o1 10881626 VECWPBWQUJBBDY-UHFFFAOYSA-N 331.441 4.238 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc12 11237674 VCNBFHQVSLKZDR-INIZCTEOSA-N 341.480 4.460 0 40 EIAB Cc1ccccc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 12685678 FIYCQUFZDFNDBY-UHFFFAOYSA-N 329.446 4.189 0 40 EIAB Cc1cccc(OCC(=O)NCC(c2ccccc2)c2ccccc2)c1 12745084 DCFUWKRFMWNEFO-UHFFFAOYSA-N 345.442 4.322 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc3c2CCCC3)cc1OC 12771432 AZFTXOMUKCKSLG-UHFFFAOYSA-N 339.435 4.154 0 40 EIAB c1ccc(CCCSc2nnc(NCc3ccco3)s2)cc1 12852299 LBGMJLGZVGPHEI-UHFFFAOYSA-N 331.466 4.468 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(N2CCCC2=O)c1 12935167 WIZUUEJMMGYNQV-UHFFFAOYSA-N 336.435 4.498 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1OC[C@H]1CCCO1 12938068 MWKLIOMKWNXSKD-OAHLLOKOSA-N 345.826 4.459 0 40 EIAB C[C@H](NC(=O)CC1(C(=O)O)CCCCC1)c1ccc2c(c1)CCCC2 13468406 HJUIRAIUVPPWPU-HNNXBMFYSA-N 343.467 4.168 0 40 EIAB O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1 15096830 DCDBLZLADZFYJV-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC)c(Cl)c1 20455813 RCBFHDWMHOTZMT-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)c(Cl)c1 20483405 LZXUEDPSISPXPA-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB Cc1cc(C)cc(NC(=O)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 22540806 IPBCSKIQJHKWHB-QGZVFWFLSA-N 338.451 4.045 0 40 EIAB COc1cc(C(=O)NCc2ccc(Cl)s2)cc(Cl)c1OC 23134523 PUCQUZGCRJSUQK-UHFFFAOYSA-N 346.235 4.002 0 40 EIAB CN1CCC(NCC[C@@](C)(Cc2ccccc2)c2ccccc2)CC1 31807729 YJFGBFWRWATYMM-QHCPKHFHSA-N 336.523 4.261 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@@H](c2cc(F)ccc2F)C1 31820438 FRQXOSCLPPSBLJ-CQSZACIVSA-N 325.318 4.274 0 40 EIAB CN(Cc1ccc2c(c1)OCO2)Cc1csc(-c2ccsc2)n1 32759745 GCESNSMBHOJLPZ-UHFFFAOYSA-N 344.461 4.232 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1occc1COc1ccccc1 32889053 IUBRBTCIOXGTKZ-IBGZPJMESA-N 333.387 4.276 0 40 EIAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(C)C)cc2)N1 34685255 PYFUFWIRRAVVMB-PMACEKPBSA-N 348.446 4.068 0 40 EIAB biogenic CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc21 40120456 WVFHYWDNYNYMHB-KRWDZBQOSA-N 349.352 4.274 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Br)o1 40162142 IWXGHYZVZKAYDO-UHFFFAOYSA-N 348.649 4.419 0 40 EIAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCc2ccccc21 44838373 HKCIWJIGJHHPMP-UHFFFAOYSA-N 339.398 4.433 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1F 48303858 LKNMYDQQRBFOHH-HNNXBMFYSA-N 331.387 4.179 0 40 EIAB Cc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cs1 48341336 XXGPYCIOZDISEH-MEDUHNTESA-N 345.468 4.042 0 40 EIAB CSc1ccc(CN2CC(c3nc(-c4cccs4)no3)C2)cc1 49484399 LXPKOLIQEHKQQB-UHFFFAOYSA-N 343.477 4.119 0 40 EIAB Cc1noc(C)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 58192240 VSCAJBZDTMJGQV-UHFFFAOYSA-N 345.786 4.171 0 40 EIAB CN(C)C(=O)c1csc(-c2csc(COc3ccccc3)n2)c1 58267028 LFRAPIFQHFSPKZ-UHFFFAOYSA-N 344.461 4.152 0 40 EIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3)o2)cc1 63887791 WROGACPZCWEGSF-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB Cc1nnc(Sc2ccc(NC(=O)c3occc3C)c(C)c2)s1 69493867 SBOGFGKXFYLHAD-UHFFFAOYSA-N 345.449 4.460 0 40 EIAB CCc1ccc([C@@H]2C[C@@H](C)CCN2c2cc(C)nc(COC)n2)o1 75055715 LRVLVWLKPCWRKN-BBRMVZONSA-N 329.444 4.064 0 40 EIAB CN(C(=O)C[C@@H]1C=CCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F 78509910 KIKASDIMWZUVLS-VLIAUNLRSA-N 342.389 4.264 0 40 EIAB C[C@]1(CCCO)CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 95455382 RZQYQLAYMSKQIN-OAHLLOKOSA-N 331.243 4.152 0 40 EIAB CC(C)c1cc(C(=O)NC2CCCCC2)nc(N2CCCCCC2)n1 96192019 NCZRQALQUJYASY-UHFFFAOYSA-N 344.503 4.043 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[C@H]1c1ccccc1 96405405 DOMMBJTYHAWKDR-OALUTQOASA-N 346.430 4.194 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1 102549923 ZEFIFGVSTCXILK-OTWHNJEPSA-N 333.431 4.377 0 40 EIAB Oc1c2c(nc3c(-c4ccccc4)c(Cc4ccccc4)nn13)CCC2 102615530 SUOIREPXIQCWOM-UHFFFAOYSA-N 341.414 4.181 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)c(OC)c1 113970442 PPLQPRSETSWKIE-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)NCc2ccc3ncccc3c2)c1 193756738 AUZGHOIGJIESAM-AWEZNQCLSA-N 335.407 4.264 0 40 EIAB Cc1c(CO)c2ccccc2n1C(=O)COc1ccc(C(C)C)cc1 216721110 XYADXYPFSPBQHX-UHFFFAOYSA-N 337.419 4.285 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC)c(C)c2)c1 223145654 NPEQJCVCWLPLFW-UHFFFAOYSA-N 341.407 4.131 0 40 EIAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1 224642888 LOFGTDUZUQWXKH-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COC 224686863 VOUCKLDFGQRNDB-UHFFFAOYSA-N 349.814 4.146 0 40 EIAB CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 224715269 UVOPDIGHOCFKGB-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB S=C(NCc1ccccc1Cl)Nc1ccc2sncc2c1 225172160 XEVKIJHBBITMBS-UHFFFAOYSA-N 333.869 4.436 0 40 EIAB CCCNC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429300 PKAPFKYLTZBXDU-UHFFFAOYSA-N 337.345 4.171 0 40 EIAB NC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 226322060 NOBDAJUPYZBQNL-UHFFFAOYSA-N 330.598 4.325 0 40 EIAB Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)n1 331395495 BZYAEAQWEZIING-QBIMZIAESA-N 343.471 4.352 0 40 EIAB CCn1nncc1C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 556637568 AFYKYFOJNWWFFI-QGZVFWFLSA-N 346.862 4.003 0 40 EIAB Brc1ccc(Oc2ncccn2)c(CN2CCCCC2)c1 575423573 OQUXRTSJUPGKLY-UHFFFAOYSA-N 348.244 4.017 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)Cc1ccc(F)cc1 575620375 KDJISBWZMYPMNX-ZDUSSCGKSA-N 327.424 4.330 0 40 EIAB O=C(N[C@H]1CCC12CCOCC2)C1(c2ccc(Cl)cc2)CCCC1 585408966 KZXVGUGOIAEMHH-KRWDZBQOSA-N 347.886 4.227 0 40 EIAB COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c(OC)c1 1776009218 VYXSSKWDNLJCRB-HOTGVXAUSA-N 342.439 4.199 0 40 EIAB C[C@H](CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccccc1 795418 YDNCPBIAETXBMS-GFCCVEGCSA-N 342.464 4.431 0 40 EIAB CC(=O)N1CCc2cc(NC(=O)Nc3cccc4ccccc34)ccc21 1431375 UZASAPMEJYWYLC-UHFFFAOYSA-N 345.402 4.393 0 40 EIAB Cc1ccc(SCCOCCN2CCc3ccccc3C2)cc1 2191172 QRLIGEHLZYBXOP-UHFFFAOYSA-N 327.493 4.162 0 40 EIAB Cc1nn2c(C(F)F)cc(-c3ccccc3)nc2c1Br 2787201 QZKLWVBSBVTQFP-UHFFFAOYSA-N 338.155 4.405 0 40 EIAB Cc1cc(C)n(CCc2nc(-c3ccc(OC(F)F)cc3)cs2)n1 3206310 DOUCVGIZAHXFMQ-UHFFFAOYSA-N 349.406 4.468 0 40 EIAB NC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 3337032 NGPPKLSLWCYVID-UHFFFAOYSA-N 331.375 4.097 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 3419745 SQFSEQVNCZMFRN-NSHDSACASA-N 341.304 4.101 0 40 EIAB Cc1cc(C(=O)CCC(=O)NCc2ccccc2Cl)c(C)s1 3554480 ZNSLDEQBFGQCSD-UHFFFAOYSA-N 335.856 4.298 0 40 EIAB COc1cccc2sc(NC(=O)c3ccc4c(c3)CCCC4)nc12 4088312 AVULCVKDYDJWKA-UHFFFAOYSA-N 338.432 4.436 0 40 EIAB COc1ccccc1C1=N/C(=C\c2ccccc2C(F)(F)F)C(=O)O1 4589589 UKXCVMWCKJEYSN-UVTDQMKNSA-N 347.292 4.059 0 40 EIAB COc1ccccc1CNC(=O)c1sc(-c2cccs2)nc1C 5404988 GIWSWVUHOMTAAZ-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB O=C(CCCOC(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1 5531707 FGPNGUWYNNZFGV-UHFFFAOYSA-N 325.339 4.127 0 40 EIAB CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(Cc2ccc(C)o2)C1=O 6627914 VWXRXZFQGXCNAC-HXUWFJFHSA-N 334.419 4.500 0 40 EIAB COc1ccc(OC)c(C(=O)CSc2nc3ccccc3s2)c1 6653580 OACFPPBTOSOESR-UHFFFAOYSA-N 345.445 4.289 0 40 EIAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 6850960 PCSYKZBHHWWSPH-BONVTDFDSA-N 339.222 4.237 0 40 EIAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 7378547 BDVOWKXZXMFLNS-GFCCVEGCSA-N 349.261 4.379 0 40 EIAB CCn1c(-c2cc(C(=O)c3cc(F)ccc3O)c[nH]2)nc2ccccc21 7719365 KEDCASAKVQJENY-UHFFFAOYSA-N 349.365 4.127 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)cc1 7945833 QFFTWDIYGMROOG-GOSISDBHSA-N 340.810 4.243 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2ccccc21 9050790 KUAMQKWBBCMXAB-UHFFFAOYSA-N 338.407 4.461 0 40 EIAB CCCOc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 11914418 HPDIDHXSZSAIJV-UHFFFAOYSA-N 345.449 4.308 0 40 EIAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCC[C@H]1C(=O)O 11948106 UYPARAAJUANHSU-JKSUJKDBSA-N 339.391 4.308 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 12939654 KTJQDDGQRWHGAH-UHFFFAOYSA-N 343.496 4.244 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1C 13125564 DQERMNQSYYJNEK-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCc2ccccc21 14915267 JHQPNGZBFFEFSR-ZDUSSCGKSA-N 344.842 4.047 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)C3C4CC5CC(C4)CC3C5)ccc12 15566240 VDLSZAXHEFXFAR-UHFFFAOYSA-N 338.403 4.079 0 40 EIAB COc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)c(F)c1 19551797 RESUQNKDKGIIPJ-MRXNPFEDSA-N 348.468 4.426 0 40 EIAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2Cc1cccnc1 19713448 ZBZRDHWQKAOLFV-VJBWXMMDSA-N 349.522 4.190 0 40 EIAB COc1ccc([C@H](NC(=O)c2ccc(C(C)=O)s2)C(C)C)cc1 23770924 BOJFTTIZRBSBTG-QGZVFWFLSA-N 331.437 4.086 0 40 EIAB Cc1c(C)n(C[C@@H](O)CNCc2ccccc2)c2c(Cl)cccc12 28296750 UIGPWDODUHDVAJ-KRWDZBQOSA-N 342.870 4.062 0 40 EIAB COc1ccc(C(=O)CSc2ccc(-c3ccncc3)o2)cc1 28535340 GYMLOPQYGQXUKX-UHFFFAOYSA-N 325.389 4.325 0 40 EIAB COc1ccc([C@H]2CCCCCN2Cc2nc(C3CC3)no2)cc1 29455625 YEMNINSYIBZUPT-QGZVFWFLSA-N 327.428 4.073 0 40 EIAB CCCc1noc([C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 29832868 RTTVCZHJMCFJPQ-UONOGXRCSA-N 340.427 4.104 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(C)C)cc1 30869518 QQBRSRKFKGNEJW-SFHVURJKSA-N 331.387 4.409 0 40 EIAB CN(C)Cc1nc(SCc2ccccc2F)c2ccccc2n1 31619350 NEPYJCDQOSPWGM-UHFFFAOYSA-N 327.428 4.123 0 40 EIAB CCCn1ncc2c(C(=O)N(C)C3CCCCC3)cc(C3CC3)nc21 36616766 ONQNTRRLJMGBHM-UHFFFAOYSA-N 340.471 4.123 0 40 EIAB CCCc1nnsc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 36709412 IRVPEJCEHCVQEK-UHFFFAOYSA-N 348.428 4.006 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc(-c3cnco3)c2)cc1F 48205288 CVGJHHCYSGOXDN-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccn2)cc1 48348475 REFCIPSAJGIGRV-KRWDZBQOSA-N 325.412 4.239 0 40 EIAB Cc1nccn1-c1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 65739922 CLCCYRUXPSFJJK-UHFFFAOYSA-N 349.478 4.013 0 40 EIAB C[S@](=O)Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl 72285689 BAYPVKSPFBZDKZ-OAQYLSRUSA-N 342.247 4.124 0 40 EIAB CC(C)n1cc(CC(=O)Nc2ccc3c(c2)ncn3C)c2ccccc21 79485913 LCGNKMUFSHSGSL-UHFFFAOYSA-N 346.434 4.290 0 40 EIAB CC(=O)Nc1cc(NC(=O)CCO[C@H](C)CC(C)C)ccc1Cl 87192053 VIIRUDNSVKEICG-GFCCVEGCSA-N 340.851 4.078 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1csc2ccccc12 89949167 LVMIZPMQTHWYJW-KDOFPFPSSA-N 342.508 4.028 0 40 EIAB CO[C@H](C)c1nc(CSCc2cn3c(C)cccc3n2)cs1 97083837 SUHATEZAPMAEFF-GFCCVEGCSA-N 333.482 4.240 0 40 EIAB O=C(Nc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423021 SHMAFLJWVBQRMS-PMACEKPBSA-N 335.451 4.004 0 40 EIAB O=C(NC1CCCCC1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102716339 RGWGQLBFUPUQLE-AAVRWANBSA-N 330.299 4.291 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)NCc3cccs3)C2)cc1 206886827 FXFPGSNDCAFMBX-MRXNPFEDSA-N 344.480 4.236 0 40 EIAB C[C@@H]1CCCCN1c1ncc2c(n1)C[C@@H](/C=C/c1ccccc1)CC2=O 216104344 DFGAGBVZPFPGFK-CDGFNTGHSA-N 347.462 4.314 0 40 EIAB CC(C)c1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1 216721753 WIQQWKRKQDNEEG-UHFFFAOYSA-N 337.375 4.182 0 40 EIAB CC[C@H](NC(=O)c1cc(C)ccc1C)c1ccc(OC)c(OC)c1 223912460 HTAYYHAPHJOKIN-KRWDZBQOSA-N 327.424 4.202 0 40 EIAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)ccc1C)CC(C)(C)O2 224394439 KLCMAKDFWFUWMP-SFHVURJKSA-N 339.435 4.344 0 40 EIAB CCOc1ccc(C(=O)NC)cc1COc1ccc(C(C)(C)C)cc1 224517580 ZKAOVAZGQSVGBN-UHFFFAOYSA-N 341.451 4.321 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 225131380 ZJNOHCUGPAUAJL-GOSISDBHSA-N 341.451 4.131 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccccc1F 225449257 JXDNUFWSNDKPBV-KRWDZBQOSA-N 327.399 4.095 0 40 EIAB Cc1oc(C(C)C)cc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 225492030 DFWAWPUVDDXFLJ-UHFFFAOYSA-N 330.409 4.008 0 40 EIAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1ccc2c(c1)CCCC2 225633957 DRGJMRDEEITTSF-QGZVFWFLSA-N 348.490 4.137 0 40 EIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1cc(C)ccc1C 225785117 SSNBOKYNYMDDIW-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408560109 BZMRUIIBWYWRHD-VZCXRCSSSA-N 340.423 4.425 0 40 EIAB Cc1cc(C(=O)NC[C@H](C)N2CCCCC2)sc1-c1ccccc1 526052383 GUNUPZINOXOFMF-INIZCTEOSA-N 342.508 4.328 0 40 EIAB Cc1ccccc1-c1cnc(CSc2n[nH]c(-c3ccccn3)n2)o1 536018458 RBACVAYKQFEPLZ-UHFFFAOYSA-N 349.419 4.122 0 40 EIAB FC(F)(F)c1ccc(N2CCCC[C@@H]2c2nc3ccccc3[nH]2)nn1 569070605 BQWAIHBCLPIBMM-CYBMUJFWSA-N 347.344 4.103 0 40 EIAB C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 598304460 GLUNDBJDYAGPBB-NYSBEXSLSA-N 346.430 4.065 0 40 EIAB CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1cc2ccccc2o1 618255621 GIQWUNFPDMLDEK-LXXRFIIISA-N 327.405 4.011 0 40 EIAB Cc1nc(N[C@H](C)c2cnccn2)c2c3c(sc2n1)C[C@H](C)CC3 649411967 MOIUCTWAJPYYNF-GHMZBOCLSA-N 339.468 4.088 0 40 EIAB Cc1ccc(C)c(Oc2ccc(I)cn2)c1 685937520 IKMWFRVRYBJJRI-UHFFFAOYSA-N 325.149 4.095 0 40 EIAB CC[C@H](C(=O)NCc1ccc(-c2c(C)noc2C)o1)c1ccccc1 1889191956 AEKTTXLUQCNLSW-KRWDZBQOSA-N 338.407 4.361 0 40 EIAB COC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 239628 IBYCECKLSSSLAI-UHFFFAOYSA-N 345.398 4.244 0 40 EIAB COc1cccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 365001 IVCGOEBBXRGNLH-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1C 384612 METIFLDLLORJFC-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 531642 ROFMIMLLXFSIBS-MRXNPFEDSA-N 333.435 4.446 0 40 EIAB C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 1473416 KFETYTDHVXYSQF-SWLSCSKDSA-N 340.250 4.084 0 40 EIAB Cc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1C 3402619 NCBYUXLYQURHGM-UHFFFAOYSA-N 330.859 4.115 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4174477 IOVFEZHGRVSDRP-LBPRGKRZSA-N 341.461 4.324 0 40 EIAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 4283750 VSWMUXFLGZLNOH-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cccs2)cc1 4603351 QKURLNVUYAVENL-UHFFFAOYSA-N 337.400 4.074 0 40 EIAB O[C@@H](CN1CCC[C@H]2CCCC[C@@H]21)c1ccc(Br)cc1 4769329 PERIBZNZHZKQGE-COXVUDFISA-N 338.289 4.137 0 40 EIAB Cc1ccc(-c2csc3ncnc(N4C[C@H](C)O[C@@H](C)C4)c23)cc1 5176192 WCEVVRBRGKLOTP-KBPBESRZSA-N 339.464 4.280 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)c2cccc(C)c2)o1 5240163 KYKARDDPPIDMKC-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB CCCN(CCC)C(=O)c1cccc(C(=O)N(CCC)CCC)c1 5430711 HVOKODAEPNQEPK-UHFFFAOYSA-N 332.488 4.211 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1C(F)(F)F 5439764 LWPLJBYFSLSXAZ-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 6406038 RDQOXXRYLXSQIE-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4cccs4)nc3c12 6671797 GGLSLXAPACFOMU-UHFFFAOYSA-N 345.431 4.414 0 40 EIAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 6747341 OTXBXKLWHBCKCI-UHFFFAOYSA-N 345.782 4.134 0 40 EIAB CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccco1 6747376 QQCLJUZQJBYRMH-UHFFFAOYSA-N 325.364 4.114 0 40 EIAB Cc1ccc(C)c(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 7725910 HANIXLXCOVSEOE-UHFFFAOYSA-N 338.407 4.130 0 40 EIAB CCc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)sc1C 7955274 VNCQHACJNUAFEG-UHFFFAOYSA-N 348.899 4.235 0 40 EIAB O=C(CCc1nc2ccccc2o1)N[C@H]1CCSc2ccccc21 8156256 OBPRZHGJKORSKD-AWEZNQCLSA-N 338.432 4.114 0 40 EIAB Clc1nc2ccccc2cc1COc1ncnc2sccc12 8428831 GYIKVGSXMJDVBT-UHFFFAOYSA-N 327.796 4.472 0 40 EIAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccn1 8707245 ZWOAGCWMWZHQKZ-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccc(F)c1 8863078 XENAAIRIUDHXLS-GOSISDBHSA-N 346.471 4.234 0 40 EIAB NC(=O)[C@@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1ccccc1 12189189 JIBYMWIBIPUAOY-SFHVURJKSA-N 349.459 4.204 0 40 EIAB COc1ccc(Cl)cc1NCc1cc2cccc(C)c2[nH]c1=O 12492358 DCHFPMCCMASLMN-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F 12809645 WRNMDDVBKGRLBU-KZULUSFZSA-N 330.378 4.033 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12888388 CGBDYXWFHKJJKM-UHFFFAOYSA-N 336.410 4.458 0 40 EIAB Cc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12901473 VWJVBKQXROTXBD-UHFFFAOYSA-N 349.409 4.451 0 40 EIAB CCCCN(C)C(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12975237 OUOWJHNAMDKEHA-UHFFFAOYSA-N 333.501 4.478 0 40 EIAB CC(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)sc2C)o1 14103192 PEMROHMQTYHYQI-UHFFFAOYSA-N 330.384 4.154 0 40 EIAB CCOc1ccc(-c2cc(C(=O)N(CC)Cc3ccccc3)n[nH]2)cc1 15721733 WONWSQNHQAETOE-UHFFFAOYSA-N 349.434 4.138 0 40 EIAB Fc1ccc(NC(=S)NCCSCc2ccccc2)c(F)c1 18162781 ZQORWZAAVGMTTM-UHFFFAOYSA-N 338.448 4.185 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(F)cc2)on1 19120910 ZNYHDMBAQQCHBT-QGZVFWFLSA-N 340.402 4.239 0 40 EIAB Cc1cccc(C)c1NC(=S)[C@@H](c1ccccc1)N1CCOCC1 20130349 LWMQYASCROCZCR-LJQANCHMSA-N 340.492 4.116 0 40 EIAB O=c1[nH]c(Cc2ccccc2F)nc2scc(-c3cccs3)c12 20370234 ARCIKVXOEJPVRE-UHFFFAOYSA-N 342.420 4.443 0 40 EIAB Cc1ccc2[nH]c(C(=O)O)c/c(=N\c3ccc(F)c(Cl)c3)c2c1 21657766 KJBJUAQSSCOMRT-UHFFFAOYSA-N 330.746 4.199 0 40 EIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(O)c(Cl)c1 24208735 JZSGBCGUDUBUBM-CYBMUJFWSA-N 337.803 4.152 0 40 EIAB NC(=O)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 24889197 LEJIHWVWCVVXSV-ZDUSSCGKSA-N 334.853 4.268 0 40 EIAB CC1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 26641800 CXFUSJNWOPCZOB-UHFFFAOYSA-N 332.831 4.186 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)N1CCc2ccccc21 26925076 IMAQKGOLDAOMPC-MRXNPFEDSA-N 348.446 4.405 0 40 EIAB Cc1cc(C)n(CCCNC(=O)Nc2cccc(Cl)c2Cl)n1 27927993 BSVHICUFWUHCNG-UHFFFAOYSA-N 341.242 4.019 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 28043321 VYBSPEXXBNSDGV-QGZVFWFLSA-N 335.856 4.174 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN[C@@H](C)c1ccccc1 28297103 SILYRVYUBDNFOK-PXNSSMCTSA-N 336.479 4.278 0 40 EIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)N1CCC(C)CC1 29108584 CXGFQKSROKGMMB-UHFFFAOYSA-N 347.509 4.108 0 40 EIAB CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)s1 29241181 RGWGBODOBPNCAX-SECBINFHSA-N 341.354 4.461 0 40 EIAB CCc1ccc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)s1 31798239 KHIWIUUGPMEGPR-UHFFFAOYSA-N 335.498 4.136 0 40 EIAB COc1cccc(Cn2nc(C)c(NC(=O)c3cccc(C)c3)c2C)c1 32609739 ICCJGGZZDUQGGS-UHFFFAOYSA-N 349.434 4.118 0 40 EIAB C[C@H]1CCc2ccccc2N1Cc1ccc(C(=O)N2CCCC2)cc1 32869447 YURBRFBNUYKMBH-KRWDZBQOSA-N 334.463 4.264 0 40 EIAB Cc1ccc(OCc2ccc(C(=O)N(C)Cc3ccccc3)o2)cc1 32908238 MNPQJEOELPJGNN-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cccc(N(C)C)c3)c2)oc1C 33861995 WADALFMLUMUEBB-UHFFFAOYSA-N 335.407 4.277 0 40 EIAB Fc1ccc(-c2nsc3c(SC[C@H]4CCCO4)ncnc23)cc1 34791642 QINVWQCLWNFYFV-GFCCVEGCSA-N 347.440 4.164 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CSc1nc3ccccc3o1)C2 36007548 ZOJYAXVXZMFELB-IOHHAYIISA-N 344.480 4.251 0 40 EIAB Cc1ccc(C(=O)c2cccc(I)c2)cc1C 36944796 XVECZUFLEFJGAK-UHFFFAOYSA-N 336.172 4.139 0 40 EIAB CC(C)c1noc(CCCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 40131647 QEVQQUDAJDFMKW-SFHVURJKSA-N 347.434 4.168 0 40 EIAB Cn1cc(Cl)cc1C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 40157509 BNORJMPWLSTERU-UHFFFAOYSA-N 340.770 4.067 0 40 EIAB Cc1ccc(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1C 42151847 WBTVWZUXZKFAFM-UHFFFAOYSA-N 343.423 4.302 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2N(C)C)cc1 44082021 DDDRHNJTPZOKSU-SFHVURJKSA-N 339.439 4.130 0 40 EIAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 44848315 PQWLWFFFOAJEQR-BEFAXECRSA-N 329.415 4.497 0 40 EIAB Fc1ccccc1CSc1nnc(C2CC2)n1Cc1ccco1 48313369 JOUWWMYLFNSCRS-UHFFFAOYSA-N 329.400 4.228 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C 48355652 AMHTYSMKMZIUOP-OALUTQOASA-N 327.468 4.337 0 40 EIAB O[C@@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc12 60342748 AUURWASIUZNMSJ-LSDHHAIUSA-N 325.437 4.074 0 40 EIAB CC(C)(C)[C@H](NC(=O)Nc1cn[nH]c1)c1cccc(C(F)(F)F)c1 60374487 NQNUJHNFLZSXJZ-CYBMUJFWSA-N 340.349 4.337 0 40 EIAB CCCCSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 61338491 OZFYVIHZMDJXOJ-UHFFFAOYSA-N 340.452 4.230 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2c1 72414161 LTGNSRBOOLRNGE-UHFFFAOYSA-N 347.823 4.303 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 84012035 OYGJRCNQQSRESX-ZDUSSCGKSA-N 345.446 4.099 0 40 EIAB Cc1nc(-c2cccc(NCc3ccc([S@@](C)=O)cc3)c2)oc1C 89558681 JWNLWZRCIHOWNR-DEOSSOPVSA-N 340.448 4.308 0 40 EIAB Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 90728953 MLUPXVFQTVBHNU-KBPBESRZSA-N 338.455 4.240 0 40 EIAB O=C(CCN1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCCCC1 95349850 TXBDSNOKOVACMM-JOCHJYFZSA-N 348.490 4.037 0 40 EIAB C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 95419572 GFRDZYHAKFQRGS-IIBYNOLFSA-N 347.462 4.337 0 40 EIAB Cc1cc2ncn(S(=O)(=O)c3cccc4ccccc34)c2cc1C 96305789 MDDKQIDPICIDMP-UHFFFAOYSA-N 336.416 4.043 0 40 EIAB Cc1cc(NC(=O)c2cccc(F)c2F)ccc1OC1CCOCC1 96414148 GYWLABINJWRWRC-UHFFFAOYSA-N 347.361 4.083 0 40 EIAB CCOc1cc(NC(=O)N(C)[C@@H](CC)c2ccncc2)ccc1C 96415898 RJGYGRJUCJRTGC-KRWDZBQOSA-N 327.428 4.404 0 40 EIAB CC(C)c1ccc(-c2ncc(C[S@](=O)Cc3ccon3)s2)cc1 97227758 PWEWKRQZYFTCNX-QHCPKHFHSA-N 346.477 4.370 0 40 EIAB Cc1nnc(S[C@@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)c2ccccc12 100987834 WSRUDUWCAAXFNN-GMBSWORKSA-N 326.465 4.424 0 40 EIAB C[C@@H](NC(=O)c1csc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 107330849 CXSZPSXQMGFKFU-FYLLDIAZSA-N 328.275 4.065 0 40 EIAB O=C(Nc1ccccc1F)c1cnc(-c2ccc(Cl)cc2)nc1 222602891 CAQRYUAQCFITMQ-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1ccc(OC)cc1 222975967 IUHBTHSOEOXTKE-HXUWFJFHSA-N 341.451 4.128 0 40 EIAB CCCC[C@H](CC)CNC(=O)COc1ccc(Br)cc1 224240689 XWMKLFDKLXYEDV-ZDUSSCGKSA-N 342.277 4.161 0 40 EIAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1C 224515499 WNPUMHSBQOCIIR-GOSISDBHSA-N 327.424 4.283 0 40 EIAB COc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 225097158 SHXUFCTWMCXNPP-UHFFFAOYSA-N 327.468 4.021 0 40 EIAB COc1cccc(NC(=S)NCCSCc2ccccc2C)c1 225360308 WKCRDBQOLAGTNC-UHFFFAOYSA-N 346.521 4.223 0 40 EIAB CCc1ccc(NC(=S)NCCCN2CCCC[C@@H]2CC)cc1 225581276 DHCBNSOECQPTEO-SFHVURJKSA-N 333.545 4.190 0 40 EIAB CCOc1ccc(NC(=O)NCc2cccnc2-c2ccco2)cc1 225662392 YMJMPIHHLSZCML-UHFFFAOYSA-N 337.379 4.062 0 40 EIAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Cl)cc1 225799401 AXYGOXOCMFDBIQ-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 248251031 IZSDRPZNOODBAV-IAGYGMIVSA-N 339.564 4.383 0 40 EIAB O=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 409147262 VUJRWHSJNBGQLF-AWEZNQCLSA-N 335.787 4.290 0 40 EIAB Fc1ccc([C@@H]2CC[C@H]2c2nc(Cn3cnc4ccccc43)no2)cc1 528170446 ZIQATWGBICVHPZ-JKSUJKDBSA-N 348.381 4.268 0 40 EIAB CCc1oc(C(=O)O)cc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 580206290 YGNNGOVFDWCKSZ-AWEZNQCLSA-N 345.361 4.095 0 40 EIAB COc1cc(CCNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1Cl 1564539314 WHWXWAVGJIWRRT-VNHYZAJKSA-N 338.879 4.015 0 40 EIAB CCO[C@H](c1noc([C@@H](C)Cc2ccc(C)cc2)n1)C1CCOCC1 1615571596 MRRLAQSFXAOENT-YJBOKZPZSA-N 344.455 4.228 0 40 EIAB C=CC(=O)N1C(=O)C[C@H](c2ccc(F)cc2)Sc2ccccc21 1911936334 DJUQPBPAHPCBBX-MRXNPFEDSA-N 327.380 4.108 0 40 EIAB Cc1ccnc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 623 ASFKKFRSMGBFRO-INIZCTEOSA-N 344.414 4.363 0 40 EIAB in-man Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)cc1 190352 LNXFUUBQOQSKOA-UHFFFAOYSA-N 349.459 4.109 0 40 EIAB CSc1nnc2c(n1)O[C@H](c1sccc1C)Nc1ccccc1-2 369008 QRTCVYXCJOTBJN-OAHLLOKOSA-N 342.449 4.134 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1ccc(Br)s1 1518273 AJFSBOJNWOHWJH-UHFFFAOYSA-N 339.239 4.373 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)nc2sccn12 3183437 MICTVZGUYBXSEP-UHFFFAOYSA-N 345.733 4.320 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1C 3251618 NGNZLCWCBMNTDR-CQSZACIVSA-N 329.465 4.060 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)s1 3264910 WSZYXNJFDLZEKL-CZUORRHYSA-N 334.510 4.073 0 40 EIAB CC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3270496 QDTFCZGVGCSXAW-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)c(C)c1 3647917 LQNBHIKLYATTSC-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB O=C(C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)O)c1ccccc1 4554168 ROXPXIRBZRKPJV-CQSZACIVSA-N 338.190 4.132 0 40 EIAB Cc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCO)cc1 4614634 XJFMPMWXDUORND-ZZEZOPTASA-N 344.867 4.403 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C 5235138 FHLBNFMAIBVPQS-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1OC 5750586 OXDDFHJRIITARQ-UHFFFAOYSA-N 343.423 4.153 0 40 EIAB CC(C)(C)C1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 6248656 JMXHZNMDKQSYOX-UHFFFAOYSA-N 344.499 4.314 0 40 EIAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1COc2ccccc2O1 7735204 OECYSUWKJNCDRT-FQEVSTJZSA-N 345.354 4.365 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 7935348 HZPIMWLVDTWPNR-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB CC(C)[C@@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 8013531 OBVJFWRYOCCIRG-QGZVFWFLSA-N 327.453 4.071 0 40 EIAB CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2ccccc21 8132438 XYTPFMZZLQRNSW-GFCCVEGCSA-N 345.493 4.087 0 40 EIAB Cc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1C 8583073 XYTYRGLMTKRMOG-UHFFFAOYSA-N 329.407 4.044 0 40 EIAB CCCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 8995270 QIRCYUNJIJGNRW-UHFFFAOYSA-N 329.403 4.309 0 40 EIAB COc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(OC)c1 9477261 IXHABDFGYJZSNO-UHFFFAOYSA-N 341.451 4.274 0 40 EIAB CC(=O)Nc1ccc(CN2CCCCC[C@H]2c2cc(C)no2)cc1 12120282 XOSPKSYUNFGHQT-SFHVURJKSA-N 327.428 4.059 0 40 EIAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)C(C)(C)C)C1 12239191 IOFYZNRQMAHNBW-QGZVFWFLSA-N 339.483 4.107 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1 13250331 ADNPUEHRVNJMKI-GOSISDBHSA-N 331.799 4.020 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1CCN1CCCC1 13728852 NKHFWIBGYRISRK-KRWDZBQOSA-N 335.879 4.212 0 40 EIAB O=C1/C(=C\c2ccc3ccccc3c2)NC(=S)N1c1ccccc1F 15256696 SBGOTNNDMSRUQX-SFQUDFHCSA-N 348.402 4.241 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1 15840079 AZISJEJOQLJZMD-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1Cl 17116622 SQZMXZAJAOUGLR-UHFFFAOYSA-N 338.838 4.364 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(C)cc(C)cc1C 20110461 HBDAGOMNWUMXLS-GOSISDBHSA-N 327.424 4.417 0 40 EIAB COc1ccccc1[C@@H](C)NCc1cc(Br)cs1 20306326 WXEPGVLTZGNJQC-SNVBAGLBSA-N 326.259 4.370 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20484368 OTQUCYSMNWBQBJ-UONOGXRCSA-N 347.842 4.383 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20487951 RMTUZQRXKNDJGU-JKSUJKDBSA-N 341.451 4.463 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(C[C@@H](C)c1ccccc1)C3 20610318 ILPSLAONNXJLLQ-OAHLLOKOSA-N 349.430 4.311 0 40 EIAB biogenic O=C(Cc1cc(-c2cc3ccccc3o2)on1)N1CCc2ccccc21 23127280 ZWGZLNDKGTYPES-UHFFFAOYSA-N 344.370 4.220 0 40 EIAB CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc3ccccc3c2)s1 27926236 NEVVSDGOWXVZIZ-UHFFFAOYSA-N 338.432 4.376 0 40 EIAB Cc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cn1 29840997 XMJGHZMTYDNCQQ-NRFANRHFSA-N 328.415 4.178 0 40 EIAB O=C(CSc1nc2ccccc2s1)N1CC[C@@H]1c1ccccc1 32926574 MZFIGSBMCXIFGV-OAHLLOKOSA-N 340.473 4.362 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C4CC4)s3)s2)o1 33149510 VFZPQDCRSHJVJN-UHFFFAOYSA-N 346.437 4.001 0 40 EIAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@@H]4C3)c2c1 36741429 CGLBQXCRGUSAEM-MDZRGWNJSA-N 339.483 4.427 0 40 EIAB COc1ccc(Br)cc1CN[C@@H]1CCCc2occc21 37311130 BFBUEZDHJZTGLB-CQSZACIVSA-N 336.229 4.218 0 40 EIAB O=C(Nc1ccc(N2CCCCC2=O)cc1)Nc1c(F)cccc1F 38489782 JKDXXSRCMNOCSO-UHFFFAOYSA-N 345.349 4.126 0 40 EIAB CN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCOc2ccccc21 40138989 ZDVFUOCRIQSWOQ-CYBMUJFWSA-N 336.844 4.067 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)CCCc2ccc(Cl)cc2)c1 40141846 NMNPMWPOGOBMOD-UHFFFAOYSA-N 348.805 4.399 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 40460669 NXCRAYXPFLFGND-GOSISDBHSA-N 335.407 4.082 0 40 EIAB CC[C@@H](COc1ccccn1)NCc1ccc(Cl)cc1Cl 41154147 ARZWQYHWRXWHPC-AWEZNQCLSA-N 325.239 4.336 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 41302959 NFZNQOCHPSEZHL-UHFFFAOYSA-N 349.883 4.402 0 40 EIAB Cc1csc(N(C(=O)/C=C/c2nccs2)c2ccccc2)n1 47411286 RUQSWSIYEYDYHB-BQYQJAHWSA-N 327.434 4.286 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1 50312327 UVMHCQUVKKUNIH-XZJROXQQSA-N 334.341 4.081 0 40 EIAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 54362831 GKISZXRFGRLEBP-INIZCTEOSA-N 339.435 4.269 0 40 EIAB CC(C)(C)c1ccc(C[S@](=O)CCC(=O)Nc2ccccc2)cc1 58099230 LZZYCYFNIVSOQU-DEOSSOPVSA-N 343.492 4.262 0 40 EIAB CCn1c2ccccc2c2cc(/C=C/C(=O)NC[C@H]3CCCO3)ccc21 58358075 LKLSYRSYRZLINM-DPCFLFMUSA-N 348.446 4.123 0 40 EIAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)n(-c2ccccc2)n1 60525455 VVPGGRMDNIECPD-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB O=C(CSc1ccccc1)N[C@H](c1ccccc1)c1ccncc1 60643828 PSTHUCYZGIGPQP-HXUWFJFHSA-N 334.444 4.080 0 40 EIAB Cc1ccc(CN(C(=O)Nc2ccc3oc(=O)ccc3c2)C(C)C)o1 65818555 QDDHTBALJUEHTL-UHFFFAOYSA-N 340.379 4.137 0 40 EIAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1c1ccccn1 69516334 JNCZHBRKJRKJJB-RDJZCZTQSA-N 348.368 4.481 0 40 EIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc(-c2cccnc2)no1 69679471 RADWUCFYGCKYPE-RBUKOAKNSA-N 348.450 4.290 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)N(CC)[C@H]2CCCC[C@H]2C)cs1 71910048 HOYAPFPYCFSQDE-FMKPAKJESA-N 338.517 4.210 0 40 EIAB Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn23)cc1 72333594 YMLGLZGEJBJBDL-UHFFFAOYSA-N 334.448 4.337 0 40 EIAB COC(=O)Nc1cc(NCc2ncc(-c3cccs3)o2)ccc1F 72912220 CUYPHPJSBNEVNP-UHFFFAOYSA-N 347.371 4.333 0 40 EIAB COc1cccc([C@@H](C)Sc2nc(-c3ccccc3F)n[nH]2)c1 75093663 QQTGQVCGPXZCKR-LLVKDONJSA-N 329.400 4.473 0 40 EIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c(C)noc1C 75572884 QJDRATJTPCMKMV-AZUAARDMSA-N 340.467 4.409 0 40 EIAB O=C1OCCN1c1ccccc1NCc1ccc(Br)cc1 89814364 MJXOFZSQOPMHPQ-UHFFFAOYSA-N 347.212 4.018 0 40 EIAB CC(C)[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1nc2ccccc2[nH]1 96231784 LJWYWTKUEKESOE-IBGZPJMESA-N 346.434 4.182 0 40 EIAB Cc1ccnc(-c2ccc(NC(=O)N(C)[C@@H](C)c3ccccn3)cc2)n1 96406987 ITCCFBMUQSSRJH-HNNXBMFYSA-N 347.422 4.072 0 40 EIAB CC[C@@H](C)CN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 96407984 MGLULQODDPTCIQ-FATZIPQQSA-N 338.517 4.244 0 40 EIAB CC(C)[C@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 96478023 CQMSTLFMGHXWRX-IERDGZPVSA-N 337.467 4.256 0 40 EIAB O=C1NC(=O)c2ccccc2/C1=C/c1cc(-c2ccccc2)cs1 98055003 WGVCRQZUENSZKM-WQRHYEAKSA-N 331.396 4.226 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)COc1ccccc1C 219313258 HTJZPKLLHAQZLZ-QZTJIDSGSA-N 341.451 4.045 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1C 223488771 FQWSBKQKBWSSGU-MRXNPFEDSA-N 339.435 4.151 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1ccccc1 224622390 PFJPHXASNKUIMS-RDTXWAMCSA-N 331.843 4.417 0 40 EIAB COc1ccccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225097016 PARDAHUMBFFXRE-NRFANRHFSA-N 348.398 4.437 0 40 EIAB Cc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)nc1 225566652 ZIKRRAUVXHAWMT-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB Cc1ccc(NC(=S)NCCCc2cccc3ccccc23)nc1 225809469 GBORVDLMLKXHQD-UHFFFAOYSA-N 335.476 4.462 0 40 EIAB COC(=O)[C@H](Sc1nnc(-c2ccc(C)cc2)o1)c1ccsc1 252479703 BKIDKVOXOAGTHV-CYBMUJFWSA-N 346.433 4.113 0 40 EIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c12 606203790 QBHRXQORSZPRAI-QRTARXTBSA-N 347.418 4.117 0 40 EIAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222204 FDNWTGCGATUOIG-DLBZAZTESA-N 340.814 4.086 0 40 EIAB O=C(CCC1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1 897651 NVFGYDXQUFCDBV-UHFFFAOYSA-N 326.396 4.441 0 40 EIAB CCCSc1nc2sc3c(c2c2nncn12)C[C@](C)(CC)OC3 2382000 RPIAIAQGDHOATB-INIZCTEOSA-N 348.497 4.083 0 40 EIAB O=C(CSc1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 2539525 OMBPCKONELMAHW-UHFFFAOYSA-N 344.867 4.272 0 40 EIAB Cc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 2628018 AYFMPDQELOVMCB-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)c1C 2796437 SNLZYNHINCIRFG-LLVKDONJSA-N 339.361 4.102 0 40 EIAB CC(=O)[C@@H]1C[C@@H](CC(=O)Nc2ccc(Br)cc2)C1(C)C 3172126 SRWPMVQYSMVHQE-FZMZJTMJSA-N 338.245 4.029 0 40 EIAB CN(Cn1nc2c(Cl)cc(Cl)cn2c1=S)C1CCCCC1 3345333 OWCUJMQBSJWONR-UHFFFAOYSA-N 345.299 4.394 0 40 EIAB CC[C@](C)(Nc1ccccc1)c1nnnn1-c1cc(Cl)ccc1C 4042539 WAOXLRDKINNHQB-SFHVURJKSA-N 341.846 4.361 0 40 EIAB COc1cc2c(cc1OC)CN(Cc1ccc(C(C)C)cc1)CC2 4089643 IWGYCEVMEKPQPP-UHFFFAOYSA-N 325.452 4.386 0 40 EIAB biogenic O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccc(Cl)cc1 4120072 RYHRZSWZDZCCOE-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB C[C@H](c1ccccc1)[C@H](CC(=O)O)C(=O)Nc1ccc(Cl)cc1 4592077 YCFPMUGWEZOBGH-WBMJQRKESA-N 331.799 4.173 0 40 EIAB O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)ccc1Cl 4615856 ZETZJVFIOOGMQK-UHFFFAOYSA-N 339.247 4.049 0 40 EIAB Cn1ccnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 4804511 KRJIGPLYHXEFSP-INIZCTEOSA-N 341.411 4.031 0 40 EIAB CCCC(=O)Nc1c(-c2cccc(C)c2)c(=O)c2ccccc2n1C 5267119 NUMGXOOOAAAGLX-UHFFFAOYSA-N 334.419 4.253 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1cc(-c2ccc(F)c(F)c2)no1 5485720 ULBWLGIOZMBCBF-RMKNXTFCSA-N 326.302 4.272 0 40 EIAB CC(C)c1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O 6666645 SAZMHORTSSQRSC-UHFFFAOYSA-N 340.810 4.382 0 40 EIAB O=[P@@](/C=C/c1ccccc1)(Oc1ccccc1)N1CCOCC1 6829397 BRMNFHWSUUCQIA-LJJIPZOBSA-N 329.336 4.262 0 40 EIAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc2ccccc2c1 6886690 YWGNQICSTRUYSN-KPKJPENVSA-N 349.361 4.174 0 40 EIAB COc1ccccc1/C=C/C(=O)OCC(=O)c1c(C)cc(C)cc1C 6902664 BHNNWNUJYRJVFD-MDZDMXLPSA-N 338.403 4.060 0 40 EIAB Cc1ccc([C@@H](NC(=O)COc2cccc(F)c2)c2ccccc2)cc1 7686160 OYLIMBCRCYFEQO-QFIPXVFZSA-N 349.405 4.419 0 40 EIAB O=C(CCCOc1ccccc1)N[C@H]1CCSc2ccccc21 7777355 PLFCPMNFUCQPSC-KRWDZBQOSA-N 327.449 4.199 0 40 EIAB CCCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC)cc2)cc1 10977803 FPSDERKVSGMKRV-OAHLLOKOSA-N 327.424 4.365 0 40 EIAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1F 11009354 LODOQKRYXVTCHO-UHFFFAOYSA-N 339.326 4.315 0 40 EIAB Cc1cc(OCCCn2c(C=O)nc3ccccc32)ccc1Cl 11735047 HQCMIHIIFVOBBM-UHFFFAOYSA-N 328.799 4.280 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccc(F)cc1 12115093 UEPQBYCJFCOKGV-AWEZNQCLSA-N 338.382 4.232 0 40 EIAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2cccc(Cl)c2)C1 12119140 USIPUYJQPLLCOB-INIZCTEOSA-N 342.826 4.085 0 40 EIAB Cc1nc(Sc2nc(-c3ccncc3)nc3ccccc23)oc1C 12768596 LYEYOIOWWALLLN-UHFFFAOYSA-N 334.404 4.448 0 40 EIAB C[C@H](NC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23)c1ccccc1 13565830 XSEYAMZYPVOSBI-GJZGRUSLSA-N 344.414 4.066 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13689139 WUJRXGZUNZUOTP-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c(OC)c1 13930889 YDYBPQDVZSINQJ-CQSZACIVSA-N 344.480 4.368 0 40 EIAB CCCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 13947265 GQOUGHJQJNDZOK-AWEZNQCLSA-N 347.455 4.308 0 40 EIAB Cc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2c1 13947979 ACYNKWNNBKAHQX-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB Cc1ccccc1[C@@H](C)N[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14138894 CAGLAWAIGCWEGX-CHWSQXEVSA-N 341.480 4.322 0 40 EIAB CC(C)[C@@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14167478 MQWPEDCHWUCPHQ-CQSZACIVSA-N 335.407 4.178 0 40 EIAB C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 14235156 XBEGBZOVDXKCPH-MRXNPFEDSA-N 329.399 4.409 0 40 EIAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 15002784 SSXLSFFYPRAASJ-UHFFFAOYSA-N 336.132 4.180 0 40 EIAB CCc1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1 15322072 MFBKBCIXVRCGLP-UHFFFAOYSA-N 338.329 4.198 0 40 EIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)cc(C)c1 15860742 MHXZJFNBLDKNHJ-QGZVFWFLSA-N 338.451 4.046 0 40 EIAB CC(=O)N(Cc1nc2ccccc2nc1C)c1ccc(Cl)cc1 16265163 OBGVGPRLTFQCSN-UHFFFAOYSA-N 325.799 4.145 0 40 EIAB CCc1ccc(-c2nc(CC(=O)NC3CCCCC3)cs2)cc1 21887513 JNHYVDUHZZSQGY-UHFFFAOYSA-N 328.481 4.364 0 40 EIAB CC(C)c1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 23384061 QNOCSVGJWVADPT-OAQYLSRUSA-N 337.463 4.396 0 40 EIAB CSc1ccc(CSCC(=O)NCCc2ccc(F)cc2)cc1 24072922 KIYRGSQIJGBXOV-UHFFFAOYSA-N 349.496 4.140 0 40 EIAB Oc1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 24165253 CNRFYVNRFXYDJB-UHFFFAOYSA-N 344.458 4.381 0 40 EIAB CC[C@@H]1CCCCN1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 28227445 AXYDJEWBOCTJQD-CQSZACIVSA-N 349.862 4.199 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1C 28266347 ZKIKLXFBXQUIPD-ZDUSSCGKSA-N 325.437 4.352 0 40 EIAB COc1ccc2cc(C(=O)N(Cc3cccs3)C3CC3)[nH]c2c1 30301650 GVFTTYZWZFMWDU-UHFFFAOYSA-N 326.421 4.043 0 40 EIAB COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 36021230 WGYHVQYXJNPQAA-GVNFVFRUSA-N 332.484 4.099 0 40 EIAB biogenic O=C(CCOc1cc(Cl)ccc1Cl)NCc1cccs1 40140580 WDDSECFPUAVUKN-UHFFFAOYSA-N 330.236 4.140 0 40 EIAB O=C(NC1CCCC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 42622626 CGGWNQUMHNYKGP-LSDHHAIUSA-N 326.465 4.405 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccncc2)cc1 47054021 YKIUCGOOCLBMGN-RDTXWAMCSA-N 341.480 4.411 0 40 EIAB O=C(NCc1ccccn1)Nc1ccc(N2CCCCC2)c(Cl)c1 58003993 DLDLAKFMWQGRMD-UHFFFAOYSA-N 344.846 4.047 0 40 EIAB CCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1OCC 58330053 AQAHHWIIOBCZAC-UHFFFAOYSA-N 330.384 4.137 0 40 EIAB COc1ccc2c(C[C@H]3C(=O)Nc4cc(Cl)ccc43)c[nH]c2c1 62001635 CMBYZRLJAGAANR-OAHLLOKOSA-N 326.783 4.108 0 40 EIAB biogenic CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 72214635 HIVVOQJZYOAFKF-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CC(C)Sc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72217525 ZTEXIVGZKGTOLY-UHFFFAOYSA-N 338.473 4.070 0 40 EIAB CCO[C@@H](C)c1nc(COc2cccc(NC(=O)C(C)C)c2)cs1 76697888 SIOWNJHICAJMOQ-ZDUSSCGKSA-N 348.468 4.414 0 40 EIAB C[C@@]1(C(=O)Nc2cc(-c3ccccc3)ns2)CC1(Cl)Cl 78792110 SVQBNLQYOYMTNQ-ZDUSSCGKSA-N 327.236 4.333 0 40 EIAB Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(C(C)(C)C)cs1 79474101 SRYILEBJGMMCAB-UHFFFAOYSA-N 346.481 4.155 0 40 EIAB COc1ccc(SCC2CCN(C(=O)c3ccsc3)CC2)cc1 85472344 KRJQVCGUQRRAPU-UHFFFAOYSA-N 347.505 4.401 0 40 EIAB Cc1ccn2cc(C(=O)N3CC[C@H](C)Sc4ccccc43)nc2c1 89700855 KKXVKRSOLNCQKO-AWEZNQCLSA-N 337.448 4.174 0 40 EIAB COc1ccc([C@H](OC)[C@H](C)NCc2cnc(C(C)(C)C)s2)cc1 95459056 KNTBNDQNQAETKB-SUMWQHHRSA-N 348.512 4.315 0 40 EIAB Clc1ccc(Cc2noc(C[C@@H]3OCCc4ccccc43)n2)cc1 95959828 SKGWEVWSSKYVLW-KRWDZBQOSA-N 340.810 4.170 0 40 EIAB CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CO)C1 96435205 CSCFDYZRBGBIHU-GFCCVEGCSA-N 342.892 4.077 0 40 EIAB C[C@@]12C[C@H](NC(=S)N1c1ccc(Cl)cc1)c1cc(F)ccc1O2 101170482 DTRBABCEGJGKOA-WMLDXEAASA-N 348.830 4.414 0 40 EIAB CC1CCN(c2ccc(NC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 107326917 ZWPACPHUCLRANG-TXPKVOOTSA-N 343.540 4.398 0 40 EIAB COc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222605508 OEWLJZMDXHARNX-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB CC1(C)C[C@H](NC(=O)CCc2ccccc2F)c2ccccc2O1 222831954 XLTBDPTYRMEQOQ-KRWDZBQOSA-N 327.399 4.177 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(C)ccc1C 223154120 KJTYJZRVQAGOIF-GOSISDBHSA-N 339.435 4.344 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 223496344 QJYTVXSKJMURER-QGZVFWFLSA-N 325.452 4.349 0 40 EIAB CCOc1ccc(CCC(=O)NCC2CCCCC2)cc1OCC 224395527 LPDIVJJLQYDGBZ-UHFFFAOYSA-N 333.472 4.113 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224927060 YPRNSKFJTTYQLQ-QGZVFWFLSA-N 338.451 4.310 0 40 EIAB COc1ccc(Cl)cc1Nc1ccc(C(=O)OC(C)C)cc1N 225434520 JAKFKLMDZDFXCW-UHFFFAOYSA-N 334.803 4.240 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)s3)N21 260786545 YAQCRXBVTJKPFZ-WQVCFCJDSA-N 329.494 4.431 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccsc2)o1 575609785 HAPGMZBDEXMSEK-ZDUSSCGKSA-N 327.405 4.092 0 40 EIAB CC[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 585082400 NEIKZETYPGYIIT-CVEARBPZSA-N 348.450 4.071 0 40 EIAB CC(=O)c1cccc(CNC(=O)c2ccccc2-c2ccccc2)c1 1641379160 PRDHVBOKFQPDEM-UHFFFAOYSA-N 329.399 4.486 0 40 EIAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(C)=O)cc12 36619 NNIDZZFTFOZDEI-UHFFFAOYSA-N 337.375 4.041 0 40 EIAB biogenic Cc1ccc(C)c(Cn2c(CCNC(=O)C(C)C)nc3ccccc32)c1 560839 KGIISWXWALELLP-UHFFFAOYSA-N 349.478 4.016 0 40 EIAB O=C(Nc1nc2ccc(Cl)cc2s1)C(Cl)(Cl)Cl 568694 DMEGHDJWVCNIEM-UHFFFAOYSA-N 330.023 4.258 0 40 EIAB OCc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 1385814 BMNMLENPCMIFNS-UHFFFAOYSA-N 326.705 4.190 0 40 EIAB O=C1/C(=C\C=C\c2ccccc2)C(=S)SN1Cc1ccco1 1571916 JVVQNGKODHLDHJ-JBZDNPHWSA-N 327.430 4.237 0 40 EIAB CC(C)Cn1cnc2c(SCc3ccccc3Cl)nc(N)nc21 1676890 OKUUZKYLYZSYKT-UHFFFAOYSA-N 347.875 4.010 0 40 EIAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)c(C)c1 3147289 NIULVFSIQSIPMP-BOPFTXTBSA-N 338.432 4.409 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C2 3983824 GHWUZZCCPXLMSI-BZAGGEIZSA-N 328.500 4.135 0 40 EIAB biogenic COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 4029465 MYILAUURZUNHGP-KVEVGEHQSA-N 346.423 4.186 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccc(F)cc2)c1 4119925 RSIYAUMGPJWTPZ-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCN=C1SCc1ccc(F)cc1 4119945 REBHXCOQUFBKNR-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB CCCCCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 4696336 RHWLEUJQMREGSS-UHFFFAOYSA-N 341.839 4.245 0 40 EIAB COc1ccccc1/C=C/C(=O)NCCc1ccc(C(F)(F)F)cc1 7007165 WQNZTGFEXUGKDS-DHZHZOJOSA-N 349.352 4.086 0 40 EIAB Cc1ccccc1CN(C)Cn1ncn(-c2ccccc2C)c1=S 7091729 DLNPGDWOJMVFTM-UHFFFAOYSA-N 338.480 4.110 0 40 EIAB CCc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 8083486 YHLWJCPVWHTTAX-WOJGMQOQSA-N 348.427 4.357 0 40 EIAB Cc1nc(COc2ccc(C(=O)NC3CCCCCC3)cc2)cs1 8133633 GWSRJTLQCRWSDT-UHFFFAOYSA-N 344.480 4.483 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1ccco1 8193171 FLERWEFRPOJHPM-LBPRGKRZSA-N 329.783 4.342 0 40 EIAB C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc2c(c1)CCCC2 8268743 AATMNMLVJLCKKE-AWEZNQCLSA-N 334.419 4.127 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCc4ccccc43)cc12 8329157 SJFFBRVHFSCOFO-UHFFFAOYSA-N 339.464 4.265 0 40 EIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3ccccc3)c2C1 8570259 NFYKGZCLJSYGFP-HNNXBMFYSA-N 332.403 4.102 0 40 EIAB O=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(Cl)c1 8743450 PWDDLMUXKAMBJH-UHFFFAOYSA-N 343.839 4.229 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2ncc(C)s2)cc1Cl 9355170 FRGKYCFKECVKFU-UHFFFAOYSA-N 331.224 4.409 0 40 EIAB COc1ccc(OCCNC(=O)Nc2cccc3ccccc23)cc1 11005493 UKCYEICYHKVDBU-UHFFFAOYSA-N 336.391 4.049 0 40 EIAB CCCCOc1cccc(C(=O)Oc2ccccc2NC(C)=O)c1 12137949 NWAJBZNKTMDSJC-UHFFFAOYSA-N 327.380 4.043 0 40 EIAB Fc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1F 12390039 ZYTNJIVYOPJJEJ-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB Cc1csc(SCc2c(C(=O)N(C)C)oc3ccccc23)n1 13010145 JUJDIDDVOZLFGW-UHFFFAOYSA-N 332.450 4.192 0 40 EIAB Cc1nc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2s1 14094255 JCGJVAKMIMHQMV-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB CC[C@H](NC(=O)Cn1c(C)cc2ccccc21)c1ccc(OC)cc1 14701280 VULTVLLROCADHX-IBGZPJMESA-N 336.435 4.226 0 40 EIAB C[C@H]1CN(C(=O)Cc2cccc3ccccc23)c2ccccc2NC1=O 15859045 VMESIJAZXGBDSX-HNNXBMFYSA-N 344.414 4.004 0 40 EIAB C[C@@H](OCCCNC(=O)Nc1ccc(F)cc1F)c1ccccc1 18179309 SDOBVWIAGNZMAA-CYBMUJFWSA-N 334.366 4.254 0 40 EIAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@@H]2C1 18241249 FASWWPQUJBMJRU-CDHQVMDDSA-N 349.430 4.191 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)CSc1ccc(Cl)cc1 21595881 DKVNVUPLHZNZGW-UHFFFAOYSA-N 349.868 4.384 0 40 EIAB Cc1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1 21975450 OIBYXAPKIWJYSN-UHFFFAOYSA-N 337.341 4.143 0 40 EIAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H]1c1ccccc1 22328734 AOTYLXRDAOKUHX-WMZOPIPTSA-N 341.838 4.255 0 40 EIAB O=C(NCc1ccco1)c1ccc(CN2CCCc3ccccc32)cc1 22524353 AIDKJJHFOHAPFB-UHFFFAOYSA-N 346.430 4.162 0 40 EIAB C[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 23445339 YUXSBVKVGPQWHN-INIZCTEOSA-N 335.447 4.058 0 40 EIAB CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 24831200 WXVRDZXRWQWMRP-LLVKDONJSA-N 341.386 4.256 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 24838322 JIONAZSFPHTVAU-GOSISDBHSA-N 348.849 4.292 0 40 EIAB CCC(C)(C)NCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 24841340 WRJWWDJEMFBRKA-IBGZPJMESA-N 344.886 4.324 0 40 EIAB CCOc1cc(CN[C@@H]2CCOc3ccccc32)cc(Cl)c1OC 25357401 OFAVBWMVKJHYQT-MRXNPFEDSA-N 347.842 4.361 0 40 EIAB COc1ccc(C)cc1CCNC(=O)C1(c2ccccc2)CCCC1 30156721 PTFJPUMUZNAECQ-UHFFFAOYSA-N 337.463 4.174 0 40 EIAB CSc1ncccc1C(=O)NCC1(c2ccccc2)CCCC1 32858275 BIAHQQFODBVIBI-UHFFFAOYSA-N 326.465 4.045 0 40 EIAB CCOc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC 40079578 ZXHNOSUCMGDRBB-UHFFFAOYSA-N 344.798 4.481 0 40 EIAB O=C(NCCc1ccccn1)Nc1cc(Cl)c(Cl)cc1Cl 40098582 PSZMJMDPORVBTA-UHFFFAOYSA-N 344.629 4.406 0 40 EIAB O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cccnc1 47287254 ZZRDNLNJAFOJFU-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 48263559 WIXAJBQJHPVRTD-IBGZPJMESA-N 340.492 4.403 0 40 EIAB Cc1cc(C)c(NC(=O)CN(C)CCO[C@@H]2CCCC[C@@H]2C)c(C)c1 48343402 VXMHYJLIVVYGJE-QFBILLFUSA-N 346.515 4.077 0 40 EIAB CCCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2ccccc21 64963667 UDUSBZNIKLLMBS-UHFFFAOYSA-N 345.402 4.437 0 40 EIAB O=C(NC[C@@H]1CCCc2ccccc21)Nc1cccc2cccnc12 65490671 ITLUEZHKWBJFBZ-KRWDZBQOSA-N 331.419 4.476 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1nccs1 69595211 DCUOLTXLKFUFAV-IBGZPJMESA-N 347.443 4.073 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccc(-c2ccn(C(=O)/C=C/C=C/C)n2)cc1 71924128 ORUIGWKZVUKKEX-MIIZMDLZSA-N 347.418 4.393 0 40 EIAB COc1ccc(OC)c([C@H]2CCCCN2C(=O)c2ccccc2)c1 72221902 NSQJCUNGOJYIOR-GOSISDBHSA-N 325.408 4.071 0 40 EIAB Cc1ccc2c(Cl)c(C(=O)NCC[C@H](O)c3ccco3)sc2c1 72243137 RTVDOVIWWONVSD-LBPRGKRZSA-N 349.839 4.310 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccncc1 76083730 AWXRNVNMFHCTGY-CQSZACIVSA-N 336.395 4.169 0 40 EIAB O=C(/C=C/C1CC1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 80328163 XJSYKYSROLOWNM-UWHSVAFCSA-N 339.460 4.040 0 40 EIAB Cc1ccc(-c2ncc(CN3CCC(n4ccnc4)CC3)s2)cc1 92659326 MMTDIAPBXJZROH-UHFFFAOYSA-N 338.480 4.152 0 40 EIAB Cc1nc(C[S@@](=O)[C@@H](C)c2cccc(Br)c2)oc1C 97083664 MYBZZXYOPQZSBF-WLRWDXFRSA-N 342.258 4.064 0 40 EIAB Cc1ccc(N[C@@H](C)c2cc3ccccc3o2)cc1NS(C)(=O)=O 97231517 QJSAKLBECWNNON-ZDUSSCGKSA-N 344.436 4.286 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CCCc2ccccc21 113960449 KTKDAFUORGZEMU-QZTJIDSGSA-N 339.435 4.046 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccccc3C)c2)n1 170564427 FNSXIXKPOUMSMA-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 219543479 UDBLFRPAZGHPLD-GOSISDBHSA-N 325.452 4.128 0 40 EIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222823623 DUBVQFOPSKGQRX-IRXDYDNUSA-N 342.512 4.019 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223473443 UEFOAEOAHIDLAQ-JKSUJKDBSA-N 335.447 4.311 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1cccc(Cl)c1 224149688 BGVZXCGNSGNLDG-UHFFFAOYSA-N 345.870 4.420 0 40 EIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)c1 224222884 RISRFELEGQLTMR-QZTJIDSGSA-N 335.432 4.160 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COCC(C)C 224450205 LCKJHDROAQXUAS-UHFFFAOYSA-N 343.423 4.129 0 40 EIAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225182722 MJRKJJPDAPWIPU-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(F)cc2)cc1 225801414 JUGHOEAFXFOLSJ-LJQANCHMSA-N 329.415 4.280 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 225874384 OEUONFQMQVENCY-ZIAGYGMSSA-N 347.842 4.302 0 40 EIAB Clc1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1 226298548 XYPCDCHDYFVTOJ-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB O=C(N[C@H](c1ccsc1)c1cccs1)c1noc2c1CCCC2 390827312 WXOGRPOPUYTUSR-OAHLLOKOSA-N 344.461 4.196 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)cc1 408545380 LAFVHAUCJIDAKW-BUHFOSPRSA-N 336.435 4.177 0 40 EIAB Cc1[nH]c2cc(-c3ccccc3)nn2c(=O)c1Cc1ccc(Cl)cc1 409068250 IDQYGNCNIDEHOL-UHFFFAOYSA-N 349.821 4.242 0 40 EIAB COc1cccc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1 565860349 BOIZLDPWDQPVAO-UHFFFAOYSA-N 340.398 4.355 0 40 EIAB CCOC1CC2(CCN(C(=O)CC(C)(C)c3ccc(C)cc3)C2)C1 585082099 DRLYGQFTSRMCSZ-UHFFFAOYSA-N 329.484 4.080 0 40 EIAB COc1ccc(NC(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969766 KMMRDCHGILBKQI-UHFFFAOYSA-N 328.393 4.338 0 40 EIAB CCOC(=O)c1ccc2c(c1)sc1cc(C(=O)OCC)ccc12 1776010851 RISYNQKCWYPPGT-UHFFFAOYSA-N 328.389 4.408 0 40 EIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(C)CC3)cc12 91606 CPENDNQPEFSYCS-UHFFFAOYSA-N 339.464 4.268 0 40 EIAB CC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 148011 GCWKSFBJNYMOLM-UHFFFAOYSA-N 338.359 4.170 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(OC)cc4)ccc1c23 175392 HGEYZLJKYKXLQP-UHFFFAOYSA-N 346.386 4.081 0 40 EIAB Cc1ccccc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 226325 YNPFIOHGVOTPSH-UHFFFAOYSA-N 340.448 4.015 0 40 EIAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)C 559499 PLVBXFVJEBGTLX-UHFFFAOYSA-N 344.418 4.477 0 40 EIAB CCC(=O)Nc1cc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)ccc1C 843503 MCSPEGMIGJOWSE-UHFFFAOYSA-N 340.423 4.156 0 40 EIAB Cc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)s1 1465470 ZDZIDAMNNPZJAX-UHFFFAOYSA-N 345.474 4.289 0 40 EIAB Cc1ccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 2532777 ZFISYMUVOPQLPA-UHFFFAOYSA-N 343.858 4.311 0 40 EIAB CCC(C)(C)c1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1 3242097 SYSFFVIMEVYQTI-IBGZPJMESA-N 333.516 4.378 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 3328366 DKULMGAWXSGUGS-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB CSc1ncccc1C(=O)Nc1ccc(Br)c(C)c1 3403937 GBCQNGAORHRDDE-UHFFFAOYSA-N 337.242 4.127 0 40 EIAB COc1ccc(OCCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3606543 HXWXRNRZWNIEOV-HXUWFJFHSA-N 339.435 4.048 0 40 EIAB Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1 4106790 BVYKEWNTVXGSHF-UHFFFAOYSA-N 349.415 4.415 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4428523 YSBQFDHILMUWPK-KVHKMPIWSA-N 332.484 4.387 0 40 EIAB biogenic Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 4534396 GGVMLTLGTYIQDK-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB O=C(c1cccs1)N1c2ncccc2Oc2nc3ccccc3nc21 5395269 ASGRJFMUIXFGLN-UHFFFAOYSA-N 346.371 4.171 0 40 EIAB C[C@@H](CC(CCC(=O)O)(c1ccccc1)c1ccccc1)N(C)C 5641436 WYQSLXSVBQFXJG-KRWDZBQOSA-N 325.452 4.178 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(OC(F)F)cc2)[C@@H]1C 5656991 LIYBYTFQYGQACE-JTNHKYCSSA-N 328.428 4.399 0 40 EIAB O=C(CSc1ccc(Br)cc1)Nc1cccc(F)c1 6152371 BQOUDRCGUMDPLE-UHFFFAOYSA-N 340.217 4.319 0 40 EIAB Cc1nnc(SCc2csc(-c3ccsc3)n2)n1C1CC1 7825972 QKNUMNLCCBNSKZ-UHFFFAOYSA-N 334.495 4.399 0 40 EIAB Cc1cc(C)cc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 8704077 AGZLJWUZCOFWRZ-LJQANCHMSA-N 335.407 4.392 0 40 EIAB Cc1ccc(-c2cc(NC(=O)COc3ccc(C)c(C)c3)on2)cc1 8869151 SKIYHKZKAIPKMI-UHFFFAOYSA-N 336.391 4.284 0 40 EIAB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)sc2ncccc12 9295560 MLZKIBMVNHPUAP-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB Cc1cc(C(=O)Nc2cccc3cccnc23)c2cnn(C(C)C)c2n1 10965833 MMKNYPWNRJNLIZ-UHFFFAOYSA-N 345.406 4.121 0 40 EIAB Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)n1 12525174 ZKOCLZGKYBQEBH-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB COc1cc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC 12940797 MZPYVFNKWOOIMQ-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCC2)o1 12996847 IRVFDQOSIMZTPH-ZRDIBKRKSA-N 347.418 4.076 0 40 EIAB COc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)C[C@@H](C)O3 13563865 KQOWWDWXSNUVOM-MRXNPFEDSA-N 348.446 4.335 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 14225366 PKUDFHUDGLVXAM-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 15503022 PBCWGDQFBUCLNH-NWPMYNPFSA-N 348.446 4.163 0 40 EIAB COc1ccc2cc(CN(C)C(=O)c3ccc(N(C)C)cc3)ccc2c1 18212973 TXDQEBIBXMYYJT-UHFFFAOYSA-N 348.446 4.187 0 40 EIAB Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 19736138 UHLYXWNSSKTNBN-AWEZNQCLSA-N 326.440 4.281 0 40 EIAB CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2)[C@H]1c1ccccc1 19850390 AYXUZUABTMGOKA-RBUKOAKNSA-N 338.451 4.309 0 40 EIAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 20458861 MAXCXDVEEXTYPP-CQSZACIVSA-N 347.842 4.211 0 40 EIAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3)sc2C1 20897379 ADLMHLFXMDYKIA-CYBMUJFWSA-N 344.480 4.312 0 40 EIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C)c(Cl)c1 21596260 GTUPPMOJQHRUBN-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2s1 22255086 PBZIDWCVKHYMBN-UHFFFAOYSA-N 346.477 4.358 0 40 EIAB Fc1ccccc1-c1ccc(CNC[C@H]2COc3ccccc3O2)o1 26305199 RVNZBNCTDVTDCG-HNNXBMFYSA-N 339.366 4.015 0 40 EIAB Cc1nc2ccccc2nc1SCc1nnc(-c2cccs2)o1 28191130 QUUNDLCOPUOXDW-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1ccccc1 28574381 JFUKPTXDTZYFPG-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB COc1ccc2cc(C(=O)N[C@@H](c3cccs3)C(C)C)[nH]c2c1 31257831 TXYDIXIBZLVTBC-QGZVFWFLSA-N 328.437 4.365 0 40 EIAB CC[C@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 38361136 ADAPUGNVJGEFRO-NRFANRHFSA-N 339.479 4.309 0 40 EIAB biogenic C[C@H](Cc1ccco1)NC(=O)C1c2ccccc2Oc2ccccc21 42381868 DGXYWIMTAXDONA-CQSZACIVSA-N 333.387 4.265 0 40 EIAB COc1ccc(-c2csc(-c3cnccn3)n2)cc1Br 48355369 GBEADANZLDHWQU-UHFFFAOYSA-N 348.225 4.038 0 40 EIAB Cc1cc([C@H](C)NC(=O)Nc2cccc(-n3cccn3)c2)c(C)s1 57862292 XSMLBEJNPOOKHP-ZDUSSCGKSA-N 340.452 4.433 0 40 EIAB O=C(Nc1ccccc1N1CCc2sccc2C1)c1cscn1 63475634 YOQCINZRAKCPOF-UHFFFAOYSA-N 341.461 4.020 0 40 EIAB FC(F)(F)c1cnc(NCc2ccc3c(c2)OCO3)c(Cl)c1 68838824 OZROJWBNPICNTM-UHFFFAOYSA-N 330.693 4.095 0 40 EIAB Cc1c([C@@H](C)NC(=O)c2ccc[nH]c2=S)oc2ccc(F)cc12 69491061 PBFHPXXKLABBCP-SNVBAGLBSA-N 330.384 4.429 0 40 EIAB CC(C)c1cc(CNC(=O)Nc2cccc(-c3nccs3)c2)on1 71907957 GEDTWWZEASXZBK-UHFFFAOYSA-N 342.424 4.243 0 40 EIAB CCCCCNC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 72281257 SFHASRBVGNLNMB-UHFFFAOYSA-N 330.350 4.238 0 40 EIAB CCCOCC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C 76092811 KHWLVDVPGVNPRD-RFUYNDQBSA-N 331.481 4.483 0 40 EIAB Clc1ccc2oc(-c3csc(CN4CCOCC4)n3)cc2c1 78594722 DVMINBRQAXAZNF-UHFFFAOYSA-N 334.828 4.042 0 40 EIAB CCCOc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 79107146 MTMJGJBGSZMYIH-LBPRGKRZSA-N 335.350 4.160 0 40 EIAB CC(C)(C)OC(=O)N[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 79438720 ONJHQVPXJCESND-VWGXWWAPSA-N 330.472 4.079 0 40 EIAB COc1ccc(CC(=O)N(C2CC2)[C@@H](C)c2ccccn2)c(Cl)c1 95414653 VLIWDNACUPTVDI-ZDUSSCGKSA-N 344.842 4.038 0 40 EIAB C[C@H](N[C@@H](c1ccccc1)c1ccco1)c1ccc(-n2cncn2)cc1 95419550 VKEZCWVNJAYVBW-KKSFZXQISA-N 344.418 4.301 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NCc2ccc(OC(C)C)c(F)c2)c1 95422040 RJTDZPMWZGVWEO-CQSZACIVSA-N 344.430 4.422 0 40 EIAB CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccccc2OC(F)F)CCO1 95465856 IQCOPHOTZXREMT-XJKSGUPXSA-N 341.398 4.002 0 40 EIAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc(F)c(F)c1F 95479747 KGORDTKVDUTWRO-AWEZNQCLSA-N 341.358 4.306 0 40 EIAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCC1 100424291 NEIOPHBHODUDID-OALUTQOASA-N 345.462 4.275 0 40 EIAB c1cncc([C@H](Nc2cccc(N3CCCCCC3)c2)c2ncc[nH]2)c1 195110450 WNWDUCFOGSHKQG-FQEVSTJZSA-N 347.466 4.387 0 40 EIAB O=C(COc1cccc(Cl)c1)NCc1ccc2ccccc2c1 222814887 PTOMSVFAJFUEQW-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)SCc2ccccc2)c1 223979268 GBGDKPLKCHOYDV-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CCCSc1nnc(NC(=O)CCc2ccc(CC)cc2)s1 224417195 NBZUXKCBKLRTRM-UHFFFAOYSA-N 335.498 4.174 0 40 EIAB Fc1cccc(NC(=S)NCCCSCc2ccccc2)c1 225597518 KDZXTMYRYKSMAG-UHFFFAOYSA-N 334.485 4.436 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCCSC1CCCC1 225598006 LHXZWRCRLABJSB-UHFFFAOYSA-N 329.465 4.011 0 40 EIAB Cc1ccccc1CSCCCNC(=S)Nc1ncccc1C 225602199 CZZINAHLNAIRPK-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB COc1cc(C)c(C(=O)Nc2ccc3c(c2)OCO3)cc1C(C)C 225657359 QGXWISXZSSDJRS-UHFFFAOYSA-N 327.380 4.108 0 40 EIAB COc1cc(CO)cc(CSC)c1OCc1ccccc1Cl 226288348 FGGUJXLFNSIQPU-UHFFFAOYSA-N 338.856 4.283 0 40 EIAB O=C1CC[C@@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)c2ccccc21 252488438 IRVBVQLGWHHDQI-CYBMUJFWSA-N 349.308 4.110 0 40 EIAB CCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccccc1 408586524 NMUNCYKYOGNHRX-UHFFFAOYSA-N 332.783 4.169 0 40 EIAB CCCC[C@H](CC)CN1C(=O)c2cc(Br)sc2C1=O 1776010938 ILZAUTUHQHZKME-VIFPVBQESA-N 344.274 4.323 0 40 EIAB COC(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 1857794090 LDJQOFCITKABHD-UHFFFAOYSA-N 339.191 4.166 0 40 EIAB COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 113399 QATTZJJQRMJSAL-BQYQJAHWSA-N 347.798 4.018 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1[C@H]1c2ccccc2C=CN1C(C)=O 344449 CUVGSISUAFZDNL-FGZHOGPDSA-N 344.414 4.135 0 40 EIAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)N1CCCC1 413141 PIEWLZKLPHLAJQ-UHFFFAOYSA-N 328.481 4.129 0 40 EIAB CCc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1Cl 549694 VNHGTXZRTKLTAX-AWEZNQCLSA-N 344.842 4.000 0 40 EIAB O=C1CS[C@@H](C(Cl)(Cl)Cl)N1c1ccc(Cl)cc1 1672020 AABKBCFHJUQMIT-VIFPVBQESA-N 331.051 4.116 0 40 EIAB CCCCCCc1cc2c(C)c(CC(=O)OCC)c(=O)oc2cc1O 2024602 PBOCXVFUSQHBHF-UHFFFAOYSA-N 346.423 4.035 0 40 EIAB biogenic Cc1ccc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)s1 3349033 AFFKZZSDBLWCBK-JYRVWZFOSA-N 337.322 4.420 0 40 EIAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C 4994088 QIIFABLDMUQYNB-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB Cc1nc2cc(C(=O)Nc3ccccc3O)ccc2n1-c1ccccc1 5266957 VBNSLWDBGSAWBU-UHFFFAOYSA-N 343.386 4.292 0 40 EIAB Cc1cccc(-c2noc(-c3ccccc3C(=O)NCC(C)C)n2)c1 5577380 HNJBCVKKSFKSMO-UHFFFAOYSA-N 335.407 4.098 0 40 EIAB C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1 5689764 AJYVRGFCLPQLCT-LLVKDONJSA-N 340.370 4.070 0 40 EIAB Cc1ccc([C@@]2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(O)c1 5822658 OJORFUCIMFFMJE-NRFANRHFSA-N 334.346 4.302 0 40 EIAB c1cncc(-c2noc(-c3cc(-c4ccc5ccccc5c4)[nH]n3)n2)c1 7424911 WIBQKEUKSRFRNR-UHFFFAOYSA-N 339.358 4.342 0 40 EIAB COc1ccc(/C=C/c2noc(C)c2NC(=O)c2cccs2)cc1 8735366 WVIJTBHLHKTGCG-JXMROGBWSA-N 340.404 4.476 0 40 EIAB Cc1[nH]c2c(-c3ccc(Cl)cc3)cnn2c(=O)c1Cc1ccccc1 9041391 JALASGSZXXYNAM-UHFFFAOYSA-N 349.821 4.242 0 40 EIAB Cc1nc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cs1 9118098 HBVAVJQHYQDODT-SFHVURJKSA-N 335.432 4.218 0 40 EIAB O=C(OCc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O 11341524 QBNNABMENJEMQG-UHFFFAOYSA-N 348.276 4.169 0 40 EIAB C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 12540755 DCQUWQYRKTWUQQ-NSHDSACASA-N 347.340 4.002 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)cc(C)c1 12875161 OYSANVZBDKFQJB-FQEVSTJZSA-N 334.419 4.206 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1Cl 13709768 QDIUQKOUZXEWLT-JTQLQIEISA-N 340.206 4.408 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 14137379 VGSKARPASAODCR-LBPRGKRZSA-N 340.448 4.495 0 40 EIAB Cc1ccnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 14683613 JLBVTSDGHLKBDG-UHFFFAOYSA-N 326.440 4.485 0 40 EIAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 20489565 LSIZANIJWHXLCY-HSZRJFAPSA-N 345.442 4.452 0 40 EIAB COc1ccc(NC(=O)CSCc2ccccc2F)cc1Cl 23410868 RHWDBVPSHOVPJI-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 24829424 QIHOTKAFUKBYPP-UHFFFAOYSA-N 343.473 4.452 0 40 EIAB CC(C)(C)c1cc(-c2cnc3n2CCOC3)cc(C(C)(C)C)c1O 26506737 DYTXXTMFRLTFLU-UHFFFAOYSA-N 328.456 4.381 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccncc3)c(Br)oc2c1 27587428 IBIYGRNSLOANAH-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB O=C1CSc2ccccc2N1C(=S)Nc1cccc(Cl)c1 28527140 DNYZJKRYWSRDBD-UHFFFAOYSA-N 334.853 4.176 0 40 EIAB COc1cc(OC)c(NC(=O)c2ccc3c(c2)CCC3)cc1Cl 29358047 HPUZTDGPCOCUIH-UHFFFAOYSA-N 331.799 4.098 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2Cl)cc1F 32745003 UINJEVRQLOACNN-SECBINFHSA-N 325.742 4.118 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCc2ccccc2C1=O 35316515 FKVXZDFVERTKAL-IAGOWNOFSA-N 329.440 4.221 0 40 EIAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)NC1CCCC1 40300726 PITANRKZRABACD-CCEZHUSRSA-N 345.446 4.266 0 40 EIAB Cc1cc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1 47305969 NFSHVQQZOMNENA-UHFFFAOYSA-N 347.462 4.327 0 40 EIAB O=C(O)/C(=C/c1cc(Cl)ccc1O)Sc1nc2ccccc2[nH]1 51125205 WNYFDMXYAWLVHM-ZSOIEALJSA-N 346.795 4.140 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58420874 BLUAJDGSGQHTPR-NSHDSACASA-N 344.465 4.177 0 40 EIAB CC(C)(C)Cc1nc(CCNc2cccc(C(F)(F)F)c2)n[nH]1 62719312 WWKGVVBXMSUYIF-UHFFFAOYSA-N 326.366 4.067 0 40 EIAB CCN(C(=O)CCc1c(C)noc1Cl)[C@@H](C)c1ccc(F)cc1 69421283 BNRXVYCHYDPXOS-LBPRGKRZSA-N 338.810 4.318 0 40 EIAB COc1cccc(NC(=O)N2CCC(c3ccsc3)CC2)c1OC 75157181 YJTHWVGHKMXHLN-UHFFFAOYSA-N 346.452 4.177 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2ccccc2C(F)(F)F)no1 89262310 JOSLNWPBSUWOAF-UHFFFAOYSA-N 334.253 4.121 0 40 EIAB O=C(NCCc1ccc2ccccc2n1)c1cc2ccccc2cc1O 89873148 XOUVCZGDGSTCFQ-UHFFFAOYSA-N 342.398 4.066 0 40 EIAB CC(C)C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccccn1 95420486 XBCLLRVVKXUBFU-FQEVSTJZSA-N 338.499 4.344 0 40 EIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccnc1 95478972 KSISACDMIAGVRF-MRXNPFEDSA-N 339.826 4.349 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2-c2nc(C(C)C)no2)cc1 96346609 KUBNBKPRQLSHBI-UHFFFAOYSA-N 337.379 4.121 0 40 EIAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(C)c1)CC(C)(C)O2 222696312 UAFBYUYCOKGUBG-SFHVURJKSA-N 339.435 4.344 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccccc1C(C)C 223828746 VAZMZHTVPRWNID-IBGZPJMESA-N 341.451 4.163 0 40 EIAB CCOc1ccc(CCC(=O)NCC2=CCCCC2)cc1OCC 224393546 FMPLDPQMOKBCIG-UHFFFAOYSA-N 331.456 4.033 0 40 EIAB O=C(O)CCCSc1nnc(-c2ccc(-c3ccccc3)cc2)[nH]1 224977489 QRQXZIJIHGSGFG-UHFFFAOYSA-N 339.420 4.096 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 225172658 ANOGZDQMYTXMGM-UHFFFAOYSA-N 346.430 4.171 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1Cl 225571185 MRNFDOYPPOROIM-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)NC1CCCCCCC1 225812913 VMHUOIQMLGVYGW-UHFFFAOYSA-N 329.362 4.313 0 40 EIAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1F 226254642 JOURRSGNILXUQZ-CYBMUJFWSA-N 327.403 4.039 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(N)cccc2Cl)c1 226359084 WTKRMFOUXFBEHS-UHFFFAOYSA-N 332.831 4.372 0 40 EIAB COc1cc(C(C)C)c(OC)cc1CCNCc1ccccc1OC 299817184 KMZZEEDFQLXSQF-UHFFFAOYSA-N 343.467 4.168 0 40 EIAB in-vitro CCc1ccccc1NC(=O)c1cn(CC)c2ccc(C)cc2c1=O 408713172 MWHIOSRKMBTSND-UHFFFAOYSA-N 334.419 4.145 0 40 EIAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(O)cc1 524735100 VIFPCNSHOZEFLZ-GOSISDBHSA-N 340.810 4.465 0 40 EIAB COc1ccccc1NC(=O)c1c2c(nc3ccccc13)CCCC2 264469 RAGIRAMHRDKONR-UHFFFAOYSA-N 332.403 4.375 0 40 EIAB O=C(c1ccco1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 327999 TVDDOTZGRWXHLJ-CQSZACIVSA-N 327.327 4.186 0 40 EIAB CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCC)cc2N)cc1 339048 DDLXXZQIIBIOHJ-UHFFFAOYSA-N 343.383 4.073 0 40 EIAB O[C@@H]1c2ccccc2-c2ccc(NCc3ccc4c(c3)OCO4)cc21 1710736 LBHMPCQARLFUQV-OAQYLSRUSA-N 331.371 4.090 0 40 EIAB CC(C)(C)c1cc([C@@H](O)CCC2CCNCC2)c2ccccc2n1 2021299 OPNPUTUBENWDBA-IBGZPJMESA-N 326.484 4.346 0 40 EIAB in-man CCc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 2692795 QXALVHNBCMJHJY-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB O=c1[nH]c2ccccc2n1CCCSc1nccc2ccccc12 4139532 RBZMEUXXYYGRRI-UHFFFAOYSA-N 335.432 4.060 0 40 EIAB Cc1ccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 4392451 ASHMVGLYLHJQKT-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 4787608 IDEMKXUAULKYJV-WOJBJXKFSA-N 335.447 4.385 0 40 EIAB biogenic CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCCCC1 4943573 DHGUUOIKEOQIQR-UHFFFAOYSA-N 347.846 4.319 0 40 EIAB O=C(c1ccccc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 5092813 PYRQHIQBLWKISW-UHFFFAOYSA-N 348.490 4.171 0 40 EIAB C[S@@](=O)c1ccccc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 5284349 DZEFGWYINSYASX-DEOSSOPVSA-N 340.448 4.439 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C2C3CC4CC(C3)CC2C4)c1 5555431 BHVLHUNRFIZPJP-SHNPODPLSA-N 347.524 4.043 0 40 EIAB Cc1ccc2nc(CSc3nnc(-c4ccccc4F)o3)cn2c1 5982359 XYSACWQCUUJWOJ-UHFFFAOYSA-N 340.383 4.124 0 40 EIAB CO[C@]1(c2ccccc2)O[C@H]2OCC[C@H]2[C@H]1c1ccc(Cl)cc1 6403252 UCARDUKNNKSRCJ-WJFTUGDTSA-N 330.811 4.316 0 40 EIAB Cc1ccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccs4)nc32)cc1 7141069 ZVVWMVVGJGJGQO-UHFFFAOYSA-N 349.415 4.464 0 40 EIAB Cc1ccc(F)cc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 8270916 ILSQLRFFXPPZNC-HWKANZROSA-N 347.773 4.211 0 40 EIAB COc1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc(OC)c1OC 8402994 XQRWVLYBJVRVPB-GVDBMIGSSA-N 333.472 4.161 0 40 EIAB Cc1ccc(-n2nc(C(=O)O)nc2-c2ccc(Cl)cc2)cc1Cl 8730862 SOOGOVCPCPAAAG-UHFFFAOYSA-N 348.189 4.248 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2c(F)cccc2F)CC1 9062955 KKSAQQBRKKYWJV-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB C[C@H]1CN(C(=S)c2cccc(OCc3ccccc3)c2)C[C@H](C)O1 9188972 TYTVRQLQVYJPEE-HOTGVXAUSA-N 341.476 4.050 0 40 EIAB Cc1ccc2nc(NC(=O)c3ccc(Cn4cccn4)cc3)sc2c1 10642274 SAVQZIJJCALLAL-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB Cc1nc(/C=C/C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cs1 10642323 UVHOCKUGLMVXPW-OTKVNRBCSA-N 330.497 4.186 0 40 EIAB O=C(c1ccc(C2SCCS2)cc1)N1CCc2sccc2C1 12215289 GKZYNCIKUCOWLE-UHFFFAOYSA-N 347.530 4.425 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1 12226175 YYRINABYZJZACD-UHFFFAOYSA-N 348.324 4.306 0 40 EIAB CC[C@H]1c2ccsc2CCN1Cc1ccc(OCCOC)cc1 12241215 JNCLGGQLGJPOQY-SFHVURJKSA-N 331.481 4.283 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)c1 12475493 QPAWEDWPORRHBD-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB Cc1ccc(CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1 12765105 AZCKHYOGKNVXOW-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccc(C(C)(C)C)cc1 12790416 DYCZTVSYHSHGGX-OAHLLOKOSA-N 344.524 4.182 0 40 EIAB Cc1ccc(CS[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 12913135 SDFUKOPYZXDNEK-CQSZACIVSA-N 343.448 4.027 0 40 EIAB Cc1ccccc1CC(=O)Nc1ccnn1Cc1ccccc1Cl 12980928 YQEICJYBZOUTAX-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccccc1 14400082 NEVQFNBMYARLAB-INIZCTEOSA-N 325.452 4.110 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCC3)cc1OC 14664839 UXCHFGJFDBGCAV-UHFFFAOYSA-N 345.826 4.488 0 40 EIAB C[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccc(Cl)cc2)no1 14670656 ULSUXBGXGCDZRB-GFCCVEGCSA-N 325.799 4.341 0 40 EIAB Cc1ccsc1/C=C/C(=O)Nc1cnc2c(cnn2C(C)C)c1 16106725 HQFXGUCJMIFSEA-SNAWJCMRSA-N 326.425 4.034 0 40 EIAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2C)c(Cl)c1 16585824 ZBVOAQPLAZEHEI-UHFFFAOYSA-N 330.859 4.336 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)cc1 18004216 LUEJYTDGICNSBD-CYBMUJFWSA-N 325.437 4.299 0 40 EIAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3)n2)c1 19294037 XYYRSCADMYJTTE-KRWDZBQOSA-N 349.413 4.236 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1 20036527 BXMAQVSDEWDWEB-GOSISDBHSA-N 347.455 4.033 0 40 EIAB CCC(CC)COC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 20375187 XDWKCJGFHARVLP-JXFKEZNVSA-N 329.440 4.126 0 40 EIAB O=C(O[C@@H](C(=O)c1ccco1)c1ccco1)c1ccc(Cl)cc1 20413117 MZJNSUYYSMLRLA-MRXNPFEDSA-N 330.723 4.307 0 40 EIAB COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2OC)cc1 23603291 CGHDTMVQQGRQMW-UHFFFAOYSA-N 335.403 4.129 0 40 EIAB CCc1cccc(C)c1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 24923988 LQZHRXHWTCBXRN-UHFFFAOYSA-N 345.446 4.484 0 40 EIAB COc1ccc([C@H](NC(=O)c2cn(C)c3ccccc23)C(C)C)cc1 25157962 AKLPVPGEKFOSDP-HXUWFJFHSA-N 336.435 4.314 0 40 EIAB COc1ccc(CN[C@H]2CCOc3ccccc32)cc1Br 25357174 IGYOFPABDNLUSZ-HNNXBMFYSA-N 348.240 4.071 0 40 EIAB CN(C)[C@@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1 25382810 IIBKPKGHEYKCMF-KRWDZBQOSA-N 342.439 4.073 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)N(CC)C1CCCCC1 27588292 QNWMRRZPYLKJRF-UHFFFAOYSA-N 345.892 4.082 0 40 EIAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1cnccn1 32820329 PGQMKHJUTPVYKM-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc[nH]c1=S 32883058 VQDPKTNGOBDMCU-UHFFFAOYSA-N 346.415 4.335 0 40 EIAB O=C(CSc1nc2ccccc2s1)N1CC[C@H]1c1ccccc1 32926578 MZFIGSBMCXIFGV-HNNXBMFYSA-N 340.473 4.362 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2)c1 36367041 YMYJRIZVZPVWNE-INIZCTEOSA-N 337.354 4.144 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38833541 GNKJQNLOIZJVQN-SFHVURJKSA-N 340.442 4.293 0 40 EIAB CN(C)CCN(Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 40150521 AXTLHOLPRJNKIJ-UHFFFAOYSA-N 349.837 4.075 0 40 EIAB CCc1cccc(C)c1NC(=O)c1ccc(Br)c(N)c1 40296134 GISCPCRUEYIWST-UHFFFAOYSA-N 333.229 4.154 0 40 EIAB Fc1cc(Br)ccc1Oc1nccc(C(F)(F)F)n1 44676249 LSPFXLHFCNMJIM-UHFFFAOYSA-N 337.070 4.189 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 44901507 RNRLEFVRQLOEFB-MAUKXSAKSA-N 327.424 4.038 0 40 EIAB Clc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)c(Cl)c1 45920393 AEJVYDQHGYAOMF-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccsc1 47165722 DFNUCYOKDWZQCE-LJQANCHMSA-N 336.460 4.445 0 40 EIAB C[C@]12CCCC(=O)N1CCc1c2n(Cc2ccccc2)c2ccccc12 51943497 JVSJJJJSMLYLDV-HSZRJFAPSA-N 344.458 4.473 0 40 EIAB CC(=O)Nc1cccc2ccc3c(c12)CN(Cc1ccccc1)CO3 55246766 SPSLWYHBBWMUQH-UHFFFAOYSA-N 332.403 4.150 0 40 EIAB CC(C)(C)c1nc(COC(=O)c2ccccc2-c2ccccc2)no1 61077043 GVEDUIFEUHEBNY-UHFFFAOYSA-N 336.391 4.391 0 40 EIAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H](c2ccccc2)CC1 66762199 HGLWTAIPTFLRGW-INIZCTEOSA-N 346.858 4.365 0 40 EIAB Cn1cc([C@@H]2CCCN2Cc2ncc(-c3ccc(Cl)cc3)o2)cn1 69930139 OYKQSMNEKAQKOW-INIZCTEOSA-N 342.830 4.066 0 40 EIAB Cc1cccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 72328594 LJINOSZTTZXUPM-UHFFFAOYSA-N 343.427 4.160 0 40 EIAB O=S(=O)(Nc1ccc2nc(C3CCCC3)[nH]c2c1)c1ccccc1 74985913 GBCSTKBWIPLEJA-UHFFFAOYSA-N 341.436 4.021 0 40 EIAB O=C(NCc1cccs1)N(C1CC1)[C@@H]1CCCc2ccccc21 79938858 KADROYURFONSEC-GOSISDBHSA-N 326.465 4.500 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1CC1CCCCC1 84489881 QECIZQREOTYUDZ-KRWDZBQOSA-N 344.455 4.425 0 40 EIAB c1csc(Cn2cccc2CN2CCC[C@@H](N3CCCC3)CC2)c1 93563651 GOKAATVCVIMLPS-GOSISDBHSA-N 343.540 4.048 0 40 EIAB Cc1ccccc1Cc1nnc(CSc2nncc3ccccc23)o1 96471953 TYPJZGKRFBHVFX-UHFFFAOYSA-N 348.431 4.204 0 40 EIAB COc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H](C2)[C@H]1C 104102780 DZXSIVYZBVEOTC-MQNAVGNWSA-N 335.491 4.462 0 40 EIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1 223120645 ABKGJNCWUPJIEQ-ROUUACIJSA-N 340.496 4.023 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224978204 PTWQFOPCJUYWSH-UHFFFAOYSA-N 338.451 4.175 0 40 EIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)s1 225005467 NHEDRVHBBOSBME-IRXDYDNUSA-N 343.521 4.367 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)COc2ccccc2)c1 225122081 QMLIUIDQCAUBSG-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CC1(C)COc2ccc(C(=O)Nc3cccc(Cl)c3)cc2OC1 225359538 OTYOQTWIXBVJAX-UHFFFAOYSA-N 331.799 4.390 0 40 EIAB COc1cc(NC(C)=O)ccc1NCc1ccc2nc(C)ccc2c1 225465242 UFAAVVHVGCJUMA-UHFFFAOYSA-N 335.407 4.122 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1Cl 225658402 RPGWKOCJKMLUFT-CQSZACIVSA-N 347.842 4.244 0 40 EIAB CCOc1ccccc1NC(=O)c1snnc1-c1ccc(C)cc1 225774675 LTYNHDJCCJSUQC-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ncccc12 225894499 ZIEJIWFBBNTAEC-LJQANCHMSA-N 330.428 4.023 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cn1 225901566 IUDMOECDCODZMP-UHFFFAOYSA-N 334.460 4.184 0 40 EIAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 253398662 HHEHAWXWMOURQK-NSHDSACASA-N 348.830 4.111 0 40 EIAB biogenic,in-vitro Cc1cnc(C2(C)CCN(C(=O)C3CCC(F)(F)CC3)CC2)s1 257216127 CTEYEYFKBSYJEI-UHFFFAOYSA-N 342.455 4.157 0 40 EIAB Cc1cc(C)cc(CSCC(=O)N2CCc3ccccc3C2)c1 408729281 DEYFNMXZPXCECA-UHFFFAOYSA-N 325.477 4.122 0 40 EIAB Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cccc(-n4cccn4)c3)cc2c1 524770165 OFDQJLBNZLYYOY-OAHLLOKOSA-N 344.418 4.153 0 40 EIAB CCc1oc(C(=O)O)cc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 580206291 YGNNGOVFDWCKSZ-CQSZACIVSA-N 345.361 4.095 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)COc1ccnc(Cl)c1F 585123098 VEPBMNMKTBTAFD-UHFFFAOYSA-N 336.794 4.323 0 40 EIAB C[C@H](NC[C@@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 585134812 KOGXGQFSUDCGIM-QFBILLFUSA-N 336.435 4.158 0 40 EIAB CCc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc3c[nH]nc3c2)o1 684448346 RYVRVNBHQHEGAN-SFHVURJKSA-N 337.423 4.015 0 40 EIAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@@H](c2ccncc2)CC1 1616039467 XFNBBXYFWQQDEV-MRXNPFEDSA-N 347.418 4.147 0 40 EIAB Cc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1 79119 OMSYYHWJVWFEGT-HNNXBMFYSA-N 339.395 4.270 0 40 EIAB O=c1oc(-c2ccc(Br)cc2)nc2sc3c(c12)CCC3 349779 GNVPLOITAUTUEE-UHFFFAOYSA-N 348.221 4.168 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)CSC3)cc1 425759 GTPZXJQWSJHTDF-UHFFFAOYSA-N 327.453 4.056 0 40 EIAB O=C(CSc1ccc(Cl)cc1)N1N=CC[C@H]1c1ccccc1 541213 JQBFKXPQXJDVIZ-INIZCTEOSA-N 330.840 4.392 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 1937116 UYEKAUOZISYQOA-QHHAFSJGSA-N 336.174 4.374 0 40 EIAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 2399296 LSTZACRXYJCYDJ-CYFREDJKSA-N 347.395 4.164 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)c3ccccc3C(F)(F)F)ccc12 3299409 OZJFXXOJJIDDHA-UHFFFAOYSA-N 348.276 4.339 0 40 EIAB CN(C(=S)NCc1ccco1)C(c1ccccc1)c1ccccc1 3299913 NUBVPQCHXLGNOW-UHFFFAOYSA-N 336.460 4.376 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2nc(C)cs2)c(Cl)c1 3347871 WVLUHOXJKOWEIG-UHFFFAOYSA-N 326.874 4.453 0 40 EIAB C[C@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 4416838 XILWIKWHCRBAJH-IHPCNDPISA-N 327.468 4.012 0 40 EIAB Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 4496443 ZQHLVADDCGYSLG-LBPRGKRZSA-N 332.494 4.307 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccccc1 5173687 CUFBYGNVDHDHPA-OAHLLOKOSA-N 333.435 4.039 0 40 EIAB c1cncc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c1 5261769 IXTWUROSMLDWIJ-UHFFFAOYSA-N 346.415 4.429 0 40 EIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc(C(F)(F)F)c1 5688499 XWDRNMXXWKXAOX-LBPRGKRZSA-N 334.341 4.095 0 40 EIAB CC(=O)Nc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1 5938780 RVMSZIPIOKOXOI-DHZHZOJOSA-N 332.359 4.062 0 40 EIAB Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1 6200687 POVCNZOYTGCKBE-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB Cc1ccc(CCCNC(=O)c2cnc(Cl)c(Cl)c2)c(C)c1 6547426 WLKIPIJLFUTJKH-UHFFFAOYSA-N 337.250 4.368 0 40 EIAB Cc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)o1 6652523 ZEADURGBYCHTOU-UHFFFAOYSA-N 330.391 4.230 0 40 EIAB O=C(OCc1cc(-c2cccs2)on1)c1ccc2ncsc2c1 7637047 WJMQEZAZMNRIOH-UHFFFAOYSA-N 342.401 4.370 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 7975650 BONCPFMKJWHKCI-UHFFFAOYSA-N 339.313 4.365 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cccc(-n2cccc2)c1 8710721 KSWVXPHOOMQXSH-UHFFFAOYSA-N 326.783 4.392 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCc1cc(C(C)=O)c(C)o1 9689942 ZYUOJDUREPYMQM-UHFFFAOYSA-N 349.814 4.332 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 10448509 BJROBTJZRFAQCK-OAHLLOKOSA-N 329.465 4.191 0 40 EIAB CCc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3CC)c2C)cc1 11690264 WVMMBWJRNUXRHL-UHFFFAOYSA-N 348.450 4.261 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccccc1)c1ccccc1Cl 11915263 DTUDUCDZOUAWQJ-GOSISDBHSA-N 330.859 4.153 0 40 EIAB Cc1cnc2c(S(=O)(=O)Nc3ccccc3C(C)C)cccc2c1 12526086 UBCSKOBKLUWYMT-UHFFFAOYSA-N 340.448 4.467 0 40 EIAB Cc1ccc(-c2csc3ncn(CCc4ccncc4)c(=O)c23)cc1 12642450 QKQCXBCMSLPQOC-UHFFFAOYSA-N 347.443 4.071 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2cccc(C)c2)cc1OCC 13646995 VDFYCUYOTNKAFS-HNNXBMFYSA-N 327.424 4.283 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 15608078 XXDDQIXSELSFAK-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB O=C(Nc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1 19809923 MEGZCXXTCSZNMI-UHFFFAOYSA-N 342.192 4.377 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2cccc(Br)c12 20006148 NQQATLYCQLWJQH-UHFFFAOYSA-N 328.165 4.363 0 40 EIAB CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 20899454 PXLSLBRVSNCTHQ-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 24225891 XYGSYRAFMIUIQG-UHFFFAOYSA-N 342.826 4.359 0 40 EIAB CCC[C@@H](C(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccc1 25562303 JUSYZCSBLWQLDA-SJORKVTESA-N 330.497 4.051 0 40 EIAB Clc1ccc2nc(COc3ccccc3)c(Br)n2c1 27093286 BDVCESUVUFYWRX-UHFFFAOYSA-N 337.604 4.329 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 27581879 TYFCZWBGPKRXSI-HXUWFJFHSA-N 340.442 4.091 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(C)o1 31389720 OVLJCSYZOPXEDW-HNNXBMFYSA-N 326.421 4.483 0 40 EIAB COc1cc(C(C)=O)ccc1OCc1nc2ccccc2n1C(F)F 31701675 GIDYMKAKKPUHOT-UHFFFAOYSA-N 346.333 4.222 0 40 EIAB O=C(NCCSCc1ccco1)c1csc(-c2ccccc2)n1 32740713 GKPADONRXBHUFE-UHFFFAOYSA-N 344.461 4.066 0 40 EIAB COc1ccc(C)cc1CC(=O)Nc1cc(C(C)(C)C)ccc1O 32843948 BCQMDMSVOAYNNU-UHFFFAOYSA-N 327.424 4.188 0 40 EIAB COC(=O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 35800583 WGEXBAPSKNAGNZ-UHFFFAOYSA-N 342.445 4.118 0 40 EIAB CCc1noc([C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)n1 42651436 JSBTZUDXHFXMCA-SNVBAGLBSA-N 349.847 4.028 0 40 EIAB CCCCCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)C(C)C 58060268 WBYBOKVWHOZCRK-QGZVFWFLSA-N 335.492 4.027 0 40 EIAB O=C(CCCOc1cccc2ccccc12)N1CCOc2ccccc21 58378274 VNRLTDWLVHIXBI-UHFFFAOYSA-N 347.414 4.424 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cc(Cl)ccc2O)n[nH]1 72238560 DLUYIQGGCOLOMH-UHFFFAOYSA-N 348.189 4.341 0 40 EIAB CC(C)c1csc([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 72300318 ZVVPPADEEGCLSX-ZDUSSCGKSA-N 346.500 4.133 0 40 EIAB O=C1CC(c2cccs2)CC(=O)N1Cc1cccc2ccccc12 75172447 DMTDWLTWYDPWCH-UHFFFAOYSA-N 335.428 4.334 0 40 EIAB CCN(CC)C[C@@H]1CCN(C(=O)Nc2cccc3ccccc23)C1 75537848 GVDPCUKRJSJXQK-INIZCTEOSA-N 325.456 4.035 0 40 EIAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 75605162 HYHWPPMQAQRAFK-GFCCVEGCSA-N 336.867 4.005 0 40 EIAB O=C(c1ccc(NCc2ccon2)cc1)N1CCC[C@@H]1c1ccccc1 77246060 PODWYUQBSFKUAW-HXUWFJFHSA-N 347.418 4.264 0 40 EIAB CCOc1ccc(Oc2ccccc2NC(=O)c2ocnc2C)cc1 81108506 IPBJRHDEKPYDAS-UHFFFAOYSA-N 338.363 4.426 0 40 EIAB C[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1cccc2ccccc12 84656404 YZAUIZHFJJQWFO-CYBMUJFWSA-N 348.431 4.374 0 40 EIAB COc1cccc2cc(CNc3cccc(C[S@](C)=O)c3C)oc12 95429138 MRBRGUQLRNABDT-XMMPIXPASA-N 343.448 4.240 0 40 EIAB COCCn1c(C(=O)Nc2cccc3[nH]ccc23)cc2ccccc21 95474957 CKKSTCLWKUHPQM-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(O)c2)cc1OCC 215915683 LVUGVQRWWCETQT-PKNBQFBNSA-N 341.407 4.232 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccc(Cl)c(C)c2)c1 218939160 MWHGMFORFMMQSI-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CCCC[C@H](C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C 223226485 XCFQQGLZPAWSQP-MRXNPFEDSA-N 331.456 4.429 0 40 EIAB CCOc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1C 225216689 XNJXAALAJKWVDQ-UHFFFAOYSA-N 329.465 4.224 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(OC(C)C)cc2)cc1C 225548422 LOUBQEJNFLYSBM-UHFFFAOYSA-N 327.424 4.362 0 40 EIAB CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@H]1C 226277474 NVHPICYXZWINBQ-MRXNPFEDSA-N 326.440 4.423 0 40 EIAB CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1 575619281 CAMJYFKCGRDNPJ-UHFFFAOYSA-N 336.391 4.059 0 40 EIAB COc1cc(C)c(C)cc1S(=O)(=O)NC(C)(C)CCC(C)(C)C 584906261 RGNGPXIRHJLVOY-UHFFFAOYSA-N 341.517 4.195 0 40 EIAB O=C(O)CC1(CC(=O)N2CCCCC[C@H]2c2ccco2)CCCC1 634885311 FNHSMUHUDSCLFL-HNNXBMFYSA-N 333.428 4.149 0 40 EIAB Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(N)=O)c1C 35630 BDRAKBOERRJJGU-UHFFFAOYSA-N 343.235 4.023 0 40 EIAB O=c1oc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 98230 BIDHVVUQZDQEOZ-UHFFFAOYSA-N 336.572 4.271 0 40 EIAB COc1ccc(C2=C[C@@H](c3ccccc3Cl)N=C(S)N2)cc1 194739 OICOYDWGIKMLCE-INIZCTEOSA-N 330.840 4.320 0 40 EIAB Cc1cc(C)c2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2c1 410769 BYSRMWCBPIRDKS-UHFFFAOYSA-N 327.453 4.177 0 40 EIAB Cc1cccc(NC(=O)CSc2nccn2-c2ccccc2)c1C 427342 CXZQUZBLEWUQDY-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@@H]1[C@@H]2C 526193 ABFSDSQOZYJGJO-FVMPEHLCSA-N 347.455 4.320 0 40 EIAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(F)c2)cc1 568334 UNPQMHRMKSLOFH-UHFFFAOYSA-N 337.398 4.019 0 40 EIAB Cc1cccn2c(NC(=O)Cc3ccccc3)c(-c3ccccc3)nc12 577161 ALFIIIGLEVSZOP-UHFFFAOYSA-N 341.414 4.491 0 40 EIAB Cc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccco1 884372 KREHVIHNTHVHIN-UHFFFAOYSA-N 338.338 4.232 0 40 EIAB Cc1ccnc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 1846243 ASFKKFRSMGBFRO-MRXNPFEDSA-N 344.414 4.363 0 40 EIAB in-man CC(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 3235529 BVPMVKOHCHBCDH-UHFFFAOYSA-N 349.789 4.398 0 40 EIAB COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2OC)cc1 3608693 KTZGSYZCDARHEE-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1 4077187 QFIIHGFMSBSLFK-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB Cc1ccc([C@@]2(CC(=O)NCC(C)C)CCO[C@@H](C(C)C)C2)cc1 4087953 QIAVYIRNOGKASV-CTNGQTDRSA-N 331.500 4.230 0 40 EIAB biogenic C[C@@H]1C[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 4975168 MOGCLMUWPUAISZ-HUUCEWRRSA-N 335.455 4.442 0 40 EIAB Cc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)no1 5032290 FNJPUQNGUZDHOQ-UHFFFAOYSA-N 347.168 4.258 0 40 EIAB Oc1ccccc1Nc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 5338269 VBXOZAAOMHRNMR-UHFFFAOYSA-N 338.754 4.387 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5440559 AJMBMHGRKZCDRW-UHFFFAOYSA-N 336.435 4.363 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(F)cc1 6337100 KERRMDWCKPGUPI-LCYFTJDESA-N 326.396 4.158 0 40 EIAB COc1ccc(CSc2nnc(C)n2-c2ccc(C)cc2)cc1F 6654262 FYKGXGDVAMQYRB-UHFFFAOYSA-N 343.427 4.324 0 40 EIAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)cc1 6947681 VGEOFOISPDGLJH-UHFFFAOYSA-N 342.782 4.217 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 7960324 WLZGAPQQVJSRIF-UHFFFAOYSA-N 339.483 4.216 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccccc2SC)cc1OC 8163812 PZIZEIAXVDVBRT-PKNBQFBNSA-N 329.421 4.078 0 40 EIAB COc1cc(C(=O)N[C@H](C)C(C)C)ccc1OCc1ccccc1 8389661 GZFBWGCATBWIRD-OAHLLOKOSA-N 327.424 4.049 0 40 EIAB Cc1ccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)nc1 8993667 KRTCTDQHJWGUBK-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB O=C(CNc1ccc(F)cc1F)Nc1ccc(N2CCCCC2)cc1 9882447 XJOIHJDAMSISHL-UHFFFAOYSA-N 345.393 4.006 0 40 EIAB O=C(CCN1CCc2sccc2C1)Nc1cccc2ccccc12 10093132 VTHQVNFBQIEUIR-UHFFFAOYSA-N 336.460 4.288 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2)cc1 10429361 PKNSRJVCTFMYFZ-CQSZACIVSA-N 344.842 4.346 0 40 EIAB Cc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 12396608 SXMGCLYCRWCKQE-UHFFFAOYSA-N 342.489 4.461 0 40 EIAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1 12679705 RFCTZAXSJUEOCI-FZMZJTMJSA-N 343.452 4.143 0 40 EIAB CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccccc3)cc(C3CC3)nc21 12743086 HLLKRFUHBXOSHK-CQSZACIVSA-N 348.450 4.381 0 40 EIAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 12772744 GWLBSPNMGKJINM-UHFFFAOYSA-N 336.435 4.185 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494876 HPEUXMGAOLYJCH-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 13629948 CYYNYOPGQORFGO-BSYVCWPDSA-N 338.451 4.114 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 13710232 QHFXRMMLVFQGAJ-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1OC(F)F 14244693 XNIINQSUOAMBRL-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB O=C(NCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 14246180 UYQGANASUUWMMI-UHFFFAOYSA-N 330.840 4.312 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 14268940 PMJJWEXWTXRQBK-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB O=C(Nc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1 16598848 HXRJEKPNIPXMMY-UHFFFAOYSA-N 330.387 4.441 0 40 EIAB CC(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27582791 FUHNXFAVYLKWQY-GOSISDBHSA-N 336.907 4.419 0 40 EIAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2cccc2)cc1 28304022 YZYSCYYDDXDCTP-MRXNPFEDSA-N 333.435 4.034 0 40 EIAB O=C(N[C@H](c1cccs1)C1CCCC1)[C@H]1Cc2ccccc2O1 32397097 PRIQLJHURKCEMY-AEFFLSMTSA-N 327.449 4.099 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1 32885578 ZSHLMMUOXUOLHV-CQSZACIVSA-N 338.407 4.137 0 40 EIAB Cc1nnc2n1-c1sc(Cl)cc1C(c1ccccc1Cl)=NC2 33823709 CHGXYVPOFYZWRH-UHFFFAOYSA-N 349.246 4.295 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@@H](c2cccc(O)c2)C1 36358103 KZPGPCYSZNXULA-OAHLLOKOSA-N 339.782 4.355 0 40 EIAB Cc1ccc(CS(=O)(=O)Cc2coc(-c3ccc(C)cc3)n2)cc1 45353676 QLBPVMPZIIABRK-UHFFFAOYSA-N 341.432 4.073 0 40 EIAB CCCCCOc1ccc([C@H](C)NC(=O)c2ccoc2)cc1OC 48354937 YKGNMXIVQFZNSA-AWEZNQCLSA-N 331.412 4.348 0 40 EIAB COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1 51354207 SEQQKCGWJOMDKS-UHFFFAOYSA-N 340.301 4.367 0 40 EIAB C[C@@H](NC(=O)N[C@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 54950660 GWGRFVYQIRLIMW-CJNGLKHVSA-N 334.423 4.001 0 40 EIAB CCCN(CC(F)(F)F)C(=O)CCCc1c[nH]c2ccccc12 58065616 ILCAOOKPJJGNMU-UHFFFAOYSA-N 326.362 4.292 0 40 EIAB CO[C@@H](CNC(=O)N[C@@H](CC(C)C)c1ccccc1)c1ccccc1 71923385 RTKMDGYGUVLYRC-PMACEKPBSA-N 340.467 4.461 0 40 EIAB CCOc1cc(NC(=O)c2cccc(-c3nnc(C)o3)c2)ccc1C 73309013 QHDXIHMFUIZBHM-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](CC(C)C)C3)c2c1 79104732 SEDGBMKIQFSBMW-OAHLLOKOSA-N 328.456 4.004 0 40 EIAB Cc1ccc(NCCCOCC(F)(F)F)cc1NC(=O)C(C)(C)C 86208069 RTIJRMMSSVPPBV-UHFFFAOYSA-N 346.393 4.361 0 40 EIAB Cc1cnc([C@@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)s1 89702381 NWXBIOJRUKJXOA-KRWDZBQOSA-N 341.480 4.277 0 40 EIAB Cc1cccc([C@H](C)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 95984400 QRZQNBYBRDEBLP-ZOCIIQOWSA-N 343.854 4.398 0 40 EIAB C[C@@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)C1CCOCC1 96484814 HUTZWRWELXTQDI-LLVKDONJSA-N 330.255 4.015 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102600998 KRBRJHDNAYUDKD-PASDCYSWSA-N 329.484 4.304 0 40 EIAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl 225093391 ICRFDBYXCBMLDG-AWEZNQCLSA-N 344.716 4.434 0 40 EIAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225186329 OTAYXWPUFHQAHX-HNNXBMFYSA-N 339.435 4.118 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ncccc2C)cc1 225501580 CFDCSIWKELGINH-KRWDZBQOSA-N 343.496 4.472 0 40 EIAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225883721 ZGKIGQMSHHCNIF-FQEVSTJZSA-N 344.455 4.412 0 40 EIAB CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 299888687 TVXGQRHTUVWFOW-ZWAKLXPCSA-N 336.472 4.089 0 40 EIAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc(C2CC2)on1 390827220 VBWFTDLFFOMNKK-HNNXBMFYSA-N 330.434 4.194 0 40 EIAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccco1 409169372 YABXVEOCWGPPJQ-UHFFFAOYSA-N 330.236 4.250 0 40 EIAB FC(F)(F)c1ccc(N2CCCC[C@H]2c2nc3ccccc3[nH]2)nn1 569070606 BQWAIHBCLPIBMM-ZDUSSCGKSA-N 347.344 4.103 0 40 EIAB O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cc2ccccc2c(O)n1 577928697 BDQMQGMZXFIMET-WMZOPIPTSA-N 346.430 4.397 0 40 EIAB O=C(CCSc1ccccc1)N1CCc2sc(Cl)cc2C1 578653985 PFKBECSVWHUIFH-UHFFFAOYSA-N 337.897 4.469 0 40 EIAB CC(C)(C)c1ccc(NC(=O)COc2ccccc2-n2ccnc2)cc1 605434266 UZDAMOGUDBQVRS-UHFFFAOYSA-N 349.434 4.187 0 40 EIAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@H]5N=NC=C5C[C@]4(C)[C@H]3CC[C@@]21C 1570001135 WHTKQORXELDYSO-PAVWTDDSSA-N 344.499 4.079 0 40 EIAB COC(=O)c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 114407 ABFGQQJLNAOXMJ-UHFFFAOYSA-N 340.404 4.149 0 40 EIAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2cccs2)c1 118701 BBALHJQJMJQNBP-UHFFFAOYSA-N 342.386 4.216 0 40 EIAB c1nc(SCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCC3 137144 KYYPWFOFEZUDNH-UHFFFAOYSA-N 342.445 4.201 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(Cl)cc2s1 364303 UJDKAONZITWZBU-JTQLQIEISA-N 332.812 4.356 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1nc2c(C)cc(C)cc2s1 559944 JYVWPRARONXKJE-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc(F)c3)nc1-2 792496 LFIXXOPJMAZVMV-UHFFFAOYSA-N 340.379 4.114 0 40 EIAB CCOc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1 1002056 GLUARSRSGJHKFA-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB O=[P@@](Nc1ccccn1)(OCC(F)(F)F)Oc1ccccc1 3151890 JZGLCNMRSVNPGW-QFIPXVFZSA-N 332.218 4.260 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3524149 BWLIHTQBWMOURY-GFCCVEGCSA-N 339.313 4.300 0 40 EIAB O=C(CCCOc1ccccc1)NCc1ccc(Cl)cc1Cl 3603056 IOAOMOSEGCZGCL-UHFFFAOYSA-N 338.234 4.469 0 40 EIAB Clc1ccc(OCc2nn3c(-c4cccs4)nnc3s2)cc1 4511861 YXJYQDBAHHSNCH-UHFFFAOYSA-N 348.840 4.147 0 40 EIAB Fc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1 4664964 YDODOOAIFXYLDB-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Cc1cc(C)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2n1 5587652 YYQHSPXVBWZAIQ-UHFFFAOYSA-N 332.325 4.080 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 6587919 ZNCJWUGGPGMIPX-AWEZNQCLSA-N 325.408 4.153 0 40 EIAB c1csc(-c2cc(CSc3ccc4c(c3)OCCO4)no2)c1 7734828 LFJADCSYUQMBSB-UHFFFAOYSA-N 331.418 4.467 0 40 EIAB Cc1nc(Oc2ccc(-c3nnco3)cc2)c2c(C)c(C)sc2n1 7984090 NRHPBZUQMQEINX-UHFFFAOYSA-N 338.392 4.459 0 40 EIAB O=C(NCc1cccc(Cl)c1)N1CC=C(c2ccc(F)cc2)CC1 8264651 KXCXJVDEBJTWQQ-UHFFFAOYSA-N 344.817 4.478 0 40 EIAB FC(F)(F)c1nc(Nc2ccc3cn[nH]c3c2)c2ccccc2n1 8339534 OSOYPDMZZBNGPD-UHFFFAOYSA-N 329.285 4.269 0 40 EIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(C)o1 8843940 PQRNSXFKYNSMTO-HNNXBMFYSA-N 347.212 4.048 0 40 EIAB COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)c1 10410451 RBZUWXIXHGQAML-KRWDZBQOSA-N 332.350 4.342 0 40 EIAB COc1cccc(-c2nc(COC(=O)C3CCCC3)cs2)c1OC 10809729 DSEWSLZBHDPMCV-UHFFFAOYSA-N 347.436 4.061 0 40 EIAB Cc1ccc(OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1C 11751752 DNIFQJRNGBSCMS-UHFFFAOYSA-N 345.267 4.016 0 40 EIAB c1ccc(-n2cnc(SCc3cc(-c4cccs4)on3)n2)cc1 12269986 KVFVUPSQIDZMMI-UHFFFAOYSA-N 340.433 4.276 0 40 EIAB O=C(NCCc1ccccc1Cl)c1ncoc1-c1cccs1 12338279 IPNZTILELSEBPY-UHFFFAOYSA-N 332.812 4.029 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)on1 12422535 DHPSRJRMRKWFPC-UHFFFAOYSA-N 340.766 4.120 0 40 EIAB C[C@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3)o2)[C@@H]1C 12551891 RSTUAYCZSBIHGT-HDMKZQKVSA-N 327.424 4.413 0 40 EIAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C 13582375 XZHJWDGYGLPJDY-UHFFFAOYSA-N 337.463 4.489 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 13710817 XUYPRSVTPYFNBK-ZWKOTPCHSA-N 325.452 4.208 0 40 EIAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 14267886 MFPGIDRSTBWWGY-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 14291467 KJBKSWWUVUIOEJ-UHFFFAOYSA-N 349.761 4.301 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)c3oc4ccccc4c3C)ccc12 14721901 NNEXFZMFBLQHKC-UHFFFAOYSA-N 333.343 4.408 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 14796188 ASRYLFIZBUFLCF-LBPRGKRZSA-N 330.815 4.121 0 40 EIAB CC(C)(C)c1ccccc1NCC(=O)Nc1cccc2nsnc12 19103740 FRSFPBFUTOYORV-UHFFFAOYSA-N 340.452 4.039 0 40 EIAB Cc1cc2sc(NC(=O)c3ccnn3C(F)F)nc2cc1Cl 19125825 YBYXFOUENJLOCB-UHFFFAOYSA-N 342.758 4.102 0 40 EIAB O=C(CCc1ccccc1F)Nc1ccc(N2CCCCC2)cc1 19162815 MBHURKACBXSXHE-UHFFFAOYSA-N 326.415 4.387 0 40 EIAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1cccc(Br)c1 20025680 PUZDCSKWVPSUQB-VIFPVBQESA-N 340.167 4.218 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 20495220 NIWYQWYBJOFCNK-CYBMUJFWSA-N 349.883 4.488 0 40 EIAB O=C(O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1 20526500 WHGITLCBKQFKKC-RMKNXTFCSA-N 333.181 4.126 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2)o1 20888974 FOEYWSTWRLOOQJ-UHFFFAOYSA-N 335.407 4.067 0 40 EIAB CCc1nnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)s1 32963910 LDLXNIQWSASCHV-UHFFFAOYSA-N 343.452 4.460 0 40 EIAB CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1cccc(C)c1 35622155 DOWHAWCSIFGUHF-GOSISDBHSA-N 341.846 4.361 0 40 EIAB O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc(Cl)nc1 40157508 BOODRNIHSODACD-UHFFFAOYSA-N 338.754 4.124 0 40 EIAB O=C(Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1)N1CCCC1 41127650 GNZVUZJTLZQUJR-UHFFFAOYSA-N 340.810 4.313 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)Nc1c(F)cccc1F 42645566 JLMINHUPUIWVAD-UHFFFAOYSA-N 325.742 4.416 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 44841010 MEFXBXNHFWWPOF-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 44903308 NHCFGESKHHGGRZ-DLBZAZTESA-N 341.451 4.347 0 40 EIAB CCOc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)n[nH]2)cc1 51315535 YBXUJDBHSKKLPF-UHFFFAOYSA-N 347.418 4.068 0 40 EIAB CC[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 57574299 ZCRGPQLJBRKMLU-WBMJQRKESA-N 336.888 4.147 0 40 EIAB COC(=O)c1cc(OCc2ccc(C)cc2)c2cc(F)ccc2n1 65033346 BFQBTSKFUZKEDG-UHFFFAOYSA-N 325.339 4.048 0 40 EIAB CN(CCC(=O)N1CCc2ccccc21)Cc1cccc2ccccc12 65515325 NCSALUJGIYBWBN-UHFFFAOYSA-N 344.458 4.251 0 40 EIAB Cc1ncsc1CNC(=O)Nc1ccc(SC(F)F)cc1 69539010 FRWOPCLSJXEYNC-UHFFFAOYSA-N 329.397 4.088 0 40 EIAB CCN(C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72212772 NCYUHQDISHBSII-GOSISDBHSA-N 339.439 4.011 0 40 EIAB CNc1cc(C)c([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72219071 LRWYSGCIFSNIDJ-GOSISDBHSA-N 339.439 4.296 0 40 EIAB Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1C 72227884 QAEKGBLJTWGMJU-HZPDHXFCSA-N 335.234 4.025 0 40 EIAB COc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Cl)cc1 72329779 LMSWURJOKFSCSF-UHFFFAOYSA-N 347.823 4.038 0 40 EIAB Cc1cccc(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 72375270 QIJUSBOGQGOXRD-IBGZPJMESA-N 345.450 4.261 0 40 EIAB CCCc1nc(C)sc1C(=O)Nc1nc(-c2ccccn2)cs1 72402174 BSONQPHKJKWHRD-UHFFFAOYSA-N 344.465 4.175 0 40 EIAB CCC[C@]1(C(F)(F)F)CCCN1Cc1cc2ccccc2[nH]c1=O 89949956 GKTOIGBOAZKTFK-QGZVFWFLSA-N 338.373 4.225 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2nc3ccccc3o2)CC1 110514423 ONTAGPCVIYKFDO-BHYGNILZSA-N 338.451 4.360 0 40 EIAB Cc1ccc(F)c(CNc2ccc(Cl)c(C[S@](C)=O)c2)c1 195559129 CYNISBZTGKLFHY-NRFANRHFSA-N 325.836 4.278 0 40 EIAB CO[C@@H](CNC(=O)CSCc1ccccc1)c1ccccc1Cl 206850442 SYAYGZFBFZTDCV-KRWDZBQOSA-N 349.883 4.077 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 219067517 LSKNGOWTOQRQMU-SFHVURJKSA-N 325.452 4.128 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(C)c(C)c1 219503869 ONUOKXAQXNKTTM-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB Cc1cccc(CSCC(=O)N[C@@H](C)CCc2ccccc2)c1 222739877 YHTJDBPKLHTFTB-KRWDZBQOSA-N 327.493 4.366 0 40 EIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 223323806 WFZMBLBKHSUFFO-KRWDZBQOSA-N 339.435 4.426 0 40 EIAB Cc1cccc(Nc2ccc(NC(=S)NCc3ccco3)cn2)c1 223903305 NNCTUFBVDOMPDH-UHFFFAOYSA-N 338.436 4.213 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1 225046484 XVASBDVUPJYJET-UHFFFAOYSA-N 343.398 4.354 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSC1CCCC1 225547403 BIVKMCPHCZRLKO-GOSISDBHSA-N 335.513 4.253 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)cc1 226268002 CSSJRLSOBWPZFO-UHFFFAOYSA-N 341.455 4.156 0 40 EIAB CCOc1ccccc1[C@H]1C[C@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 257322359 WFRPNDWDYLOJLH-YDCCOGFGSA-N 345.483 4.246 0 40 EIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 408790910 UJRXRDUSAXFTCF-OLROSQPISA-N 349.459 4.330 0 40 EIAB CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2ccc3ncsc3c2)C1(C)C 681627728 RDSINRZPYCVJMU-GLQYFDAESA-N 344.480 4.115 0 40 EIAB CC(F)(F)COP(=O)(OCC(C)(F)F)OCC(C)(F)F 1083812937 NMMSICXWIVNITD-UHFFFAOYSA-N 332.177 4.110 0 40 EIAB O=C(CCc1cccc2ccccc12)Nc1ccc2c(=O)[nH]ccc2c1 1641090429 FHJZVJCBUGQPIO-UHFFFAOYSA-N 342.398 4.253 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccccc1Cl 1775967035 BXBTTWMLMCZDGO-CYBMUJFWSA-N 347.823 4.125 0 40 EIAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(O)cc12 57826 CIQXJKOAFAITMB-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB biogenic CCOc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1O 111995 MDJUROSSSXYPBE-UHFFFAOYSA-N 340.375 4.190 0 40 EIAB biogenic COC(=O)c1cccc(Cl)c1-c1c(Cl)cccc1C(=O)OC 1600332 PPMRXYYVUUINTR-UHFFFAOYSA-N 339.174 4.234 0 40 EIAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCCC[C@H]12 1612392 LUUHUQFDYJFSSB-ZTCHHREXSA-N 346.081 4.454 0 40 EIAB O=C(/C=C/c1ccccc1)OCc1ccccc1CN1CCCCC1 1716144 AISXUVWCCTZFRV-BUHFOSPRSA-N 335.447 4.429 0 40 EIAB CN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 2622683 IYDRTWYDESGLQQ-UHFFFAOYSA-N 337.876 4.100 0 40 EIAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(F)c(F)c1F 3208960 XRBZPWJGFPUKGQ-FPYGCLRLSA-N 343.251 4.357 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(F)c(F)cc1Cl 3337019 VGLYVTNDCZVJGR-UHFFFAOYSA-N 349.720 4.139 0 40 EIAB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cccc(F)c1 3906466 DZAHJMABSSUKQS-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB O=C1O/C(=C\c2ncc(C(F)(F)F)cc2Cl)c2ccccc21 4039763 CQQQXFSFMSVDNI-MLPAPPSSSA-N 325.673 4.422 0 40 EIAB OC(c1ccccc1)(c1ccccc1)c1nccn1-c1ccccc1 4430667 GYWAMBWLPXELDE-UHFFFAOYSA-N 326.399 4.157 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccccc3N3CCCC3)[nH]c2c1 5346802 PYRZOSXTRNYWOS-UHFFFAOYSA-N 335.407 4.029 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 5793789 RUFWDWSOJLKNKQ-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)c(F)c1 5978634 ZLCPXDQYUGGYRF-UHFFFAOYSA-N 338.360 4.051 0 40 EIAB Cc1ccc(C)c(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1 6737021 HVNAUWMQSICGMB-UHFFFAOYSA-N 349.434 4.404 0 40 EIAB CCOc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 7061632 VOVJLPJVLIAJBC-UHFFFAOYSA-N 344.461 4.452 0 40 EIAB O=C(NCc1ccco1)c1ccc(OCc2ccccc2Cl)cc1 7699877 NTBWTWAJZDOXCF-UHFFFAOYSA-N 341.794 4.442 0 40 EIAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 8903575 CHFFLFNZGPUYOD-UHFFFAOYSA-N 340.404 4.114 0 40 EIAB CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 9499638 HTUKVBGZMCMWEH-CYBMUJFWSA-N 329.421 4.017 0 40 EIAB COc1cc(CNC(=O)c2cccc(Cl)c2)ccc1OC(C)C 10542667 WGXUQZBZCSFFTG-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 11206850 HXDXLAWJPRYBAQ-ACJLOTCBSA-N 329.827 4.375 0 40 EIAB COc1cccc(NC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 11553370 XJVGANRBNLGHMF-UHFFFAOYSA-N 342.439 4.193 0 40 EIAB Cc1cc(C)c2cc(CNc3ccc(N4CCCC4)cc3)c(=O)[nH]c2c1 12088258 NIFREXRAKZMSIV-UHFFFAOYSA-N 347.462 4.357 0 40 EIAB c1coc(-c2nc(NCc3cccs3)ncc2-c2ccncc2)c1 12338394 HYPCOCJZCSNGOO-UHFFFAOYSA-N 334.404 4.472 0 40 EIAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)on1 12422318 CYJLBNSNZPECDM-UHFFFAOYSA-N 339.376 4.033 0 40 EIAB O=C(COc1ccc(F)cc1Cl)Nc1cnc2ccccc2c1 12644950 GIJAXJMMCISPEA-UHFFFAOYSA-N 330.746 4.045 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1cnc(-c2ccccc2)nc1 12769971 HHYJPUBBRHVOBT-UHFFFAOYSA-N 341.773 4.117 0 40 EIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCC(C)C)c12 12875860 NQLYBFFSRVVQCT-UHFFFAOYSA-N 341.386 4.113 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 12905809 BKSKYJLWHXHNLI-GFCCVEGCSA-N 342.826 4.180 0 40 EIAB Cc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1Cl 14229419 OJJJVBJNDTZKNM-CQSZACIVSA-N 342.826 4.178 0 40 EIAB CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(C)C 16780129 ZMXNARYMHHEDKA-UHFFFAOYSA-N 339.501 4.210 0 40 EIAB COc1ccc(-c2nc(C)c(C(=O)Nc3nc(C)cs3)s2)cc1 18078991 HZXGQXKEGZFKIA-UHFFFAOYSA-N 345.449 4.144 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 20039380 BIYJSCLVYKLMSJ-HNNXBMFYSA-N 327.424 4.075 0 40 EIAB Cc1ccc(COc2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)cc1 20244060 MRPLLQJKSZXREV-OAQYLSRUSA-N 344.414 4.428 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1Nc1cccc(C)c1 22072157 NEPLCLDENULEFU-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB Cc1cccc(C(=O)Oc2ccc(Cl)cc2Br)n1 24631675 KBKGGRMQMOKBLV-UHFFFAOYSA-N 326.577 4.025 0 40 EIAB CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 27671617 CUFQCWVRNFAPPB-SSDOTTSWSA-N 344.267 4.291 0 40 EIAB C[C@H](NC(=O)c1cccc(F)c1F)c1ccc(-n2cccc2)cc1 28221066 ZOBINTWXZRSMHE-ZDUSSCGKSA-N 326.346 4.247 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 30870241 JZOVISGFTOEOSR-INIZCTEOSA-N 327.424 4.417 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C(C)C)cc1 32744676 PKRUTURDMKONIP-JXFKEZNVSA-N 341.451 4.284 0 40 EIAB CCc1cccc2c(C3=CCN(C(=O)c4ccncc4)CC3)c[nH]c12 32754299 PLRSCGJASZPRDG-UHFFFAOYSA-N 331.419 4.055 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc3c(s1)CCC3)O[C@H](C)C2 32756243 PEOXLVMVRMQJNN-LLVKDONJSA-N 343.448 4.211 0 40 EIAB Cc1nc2ccccc2nc1CSCc1nc(-c2ccco2)no1 32778722 SAWKNHBWELCWRD-UHFFFAOYSA-N 338.392 4.015 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CCOC34CCCCC4)no2)cc1C 35671058 JFVKUDABWXCLCC-UHFFFAOYSA-N 340.423 4.091 0 40 EIAB Clc1cccc(-c2nnc3sc(-c4ccncc4)nn23)c1Cl 36360460 HLDMFFWOBWLCPC-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB COc1cc(NC(=O)N[C@@H](C)c2cccs2)c(OC)cc1Cl 40023910 CDSPDRUVKBAUDM-VIFPVBQESA-N 340.832 4.301 0 40 EIAB Cc1ccc(C)c(OCC(=O)N2CCCCC[C@@H]2c2cccn2C)c1 40047329 LDOWEIIOJSTIAZ-LJQANCHMSA-N 340.467 4.165 0 40 EIAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCC1 40110742 FGYMGXXVOWEQDP-UHFFFAOYSA-N 332.419 4.473 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1c(Cl)cccc1Cl)SCC(O)=N2 49545504 VSMAMMDPZUUIME-ZDUSSCGKSA-N 342.251 4.460 0 40 EIAB Cc1cc(C)c(NC(=O)CNC(=O)c2sccc2C(C)C)c(C)c1 52959249 NLALUJZBQGTYKZ-UHFFFAOYSA-N 344.480 4.165 0 40 EIAB CC(C)(C)n1/c(=N/C(=O)c2ccc(Cl)cc2F)[nH]c2ccccc21 58172993 UGNCEMBWBPCALC-UHFFFAOYSA-N 345.805 4.258 0 40 EIAB S=C(SCc1csc(-c2ccsc2)n1)N1CCCC1 61399711 YLGOACJJYICZSH-UHFFFAOYSA-N 326.537 4.486 0 40 EIAB O=C(c1cnc2ccccc2c1Nc1ccccc1)N1CCSCC1 64471723 RITLWYDVFAZHLY-UHFFFAOYSA-N 349.459 4.167 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 68109936 JKHHKBBMPOSBHD-UHFFFAOYSA-N 344.846 4.397 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)cc1 69703658 HHCFUPFSDRWLMC-UHFFFAOYSA-N 349.390 4.315 0 40 EIAB COc1cc(C)c(NC(=O)N(Cc2ccc(C)o2)C(C)C)cc1OC 69742015 UJWWJMLXIVVDSG-UHFFFAOYSA-N 346.427 4.356 0 40 EIAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2ccc(O)c(Cl)c2)C1 71282291 WIGJVKGDSPOEED-GFCCVEGCSA-N 331.803 4.481 0 40 EIAB C[C@@H](COCc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 72285823 CMCLYCLMFXIHLM-DOTOQJQBSA-N 344.480 4.050 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)CCc2ccccc2)cc1 72328955 SNPDHEIQPDQQLV-MRXNPFEDSA-N 333.435 4.136 0 40 EIAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)c1 72427490 KWFFWLPNVKTSKJ-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB COc1cc(NC(=O)[C@H](c2ccccc2)C(C)C)cc(OC)c1OC 79347402 JKLIMOYGXCMWSZ-SFHVURJKSA-N 343.423 4.091 0 40 EIAB Cc1noc(C)c1C[C@H](C)NC(=O)C1CCC(c2ccccc2)CC1 80398550 QOSIPZTWRGGTNV-YCMKEVRSSA-N 340.467 4.313 0 40 EIAB Cc1nnc([C@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1 84090059 HJCKINGZGJFRBY-GOSISDBHSA-N 329.444 4.026 0 40 EIAB O=C(NCCc1ccc(O)cc1)Nc1ccc(Cl)cc1Cl 84398106 LYNSIEPRQJDKIR-UHFFFAOYSA-N 325.195 4.063 0 40 EIAB C[C@H](NCc1ccc([S@](C)=O)cc1)c1csc2ccccc12 85313454 GIJUIGHJKVNOFQ-WHEQGISXSA-N 329.490 4.490 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C(F)(F)F)cc2)C1 89223608 OIVXEIUEPLVSTB-LBPRGKRZSA-N 344.377 4.374 0 40 EIAB Cc1nc2cc(F)cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)c2nc1C 95364756 BIZQXKIHXMVZRG-RDTXWAMCSA-N 341.430 4.181 0 40 EIAB Cc1cccc2nc(CSCc3csc([C@H]4CCCO4)n3)cn12 96008434 LIAHNMYMRJPZST-OAHLLOKOSA-N 345.493 4.384 0 40 EIAB CCN(C(=O)c1nc2c(s1)CCCN2c1ccccc1)C(C)C 96146857 DXXIPEWIZXMDBG-UHFFFAOYSA-N 329.469 4.098 0 40 EIAB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 102675414 FLJHVSOTFMLWBQ-AWEZNQCLSA-N 346.843 4.325 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 103019352 KVDPCLPTKHATSA-BRWVUGGUSA-N 346.902 4.123 0 40 EIAB CSc1ccsc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 107130459 RSJSKQYHFCVQON-ZBFHGGJFSA-N 347.505 4.368 0 40 EIAB CO[C@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl 206849670 AWSHOFAAOHZBHF-LLVKDONJSA-N 330.236 4.172 0 40 EIAB Cc1cccc(OCCNC(=S)Nc2ccc(Cl)cc2)c1C 223972357 HUMUTCAUHMUGIA-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224634725 VIVLXXFFZSGFBP-UHFFFAOYSA-N 347.480 4.342 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2cccc3c2CCCC3)c(C)c1 225240957 YPLOSXYSMRWQKY-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)c(C)c1 225645621 WJYAJJGUPNPVHQ-UHFFFAOYSA-N 325.408 4.349 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2cccnc12 225883680 VQQMERNUTHUOSK-HXUWFJFHSA-N 344.455 4.413 0 40 EIAB COc1cccc(OC)c1CCC(=O)NCc1cccc2ccccc12 225993041 PEAJCOROHZEYNV-UHFFFAOYSA-N 349.430 4.106 0 40 EIAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1O 409412567 XSMHOTPWLKHJJW-UHFFFAOYSA-N 328.220 4.430 0 40 EIAB CC(C)c1ccc(CCC(=O)NCc2cccc(-n3ccnc3)c2)cc1 604299961 WYPNOYVDAMWNNI-UHFFFAOYSA-N 347.462 4.245 0 40 EIAB COc1ccc2sc(C(=O)N(C)Cc3cccc(F)c3)cc2c1 1772605464 HHUOQHKKRABAQB-UHFFFAOYSA-N 329.396 4.321 0 40 EIAB CCN(CC)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1 53784 QMXXSXQPMJQWIF-UHFFFAOYSA-N 336.395 4.302 0 40 EIAB O=C(Oc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 58730 BJTIUUZCEBRSJL-UHFFFAOYSA-N 335.142 4.319 0 40 EIAB Brc1ccc2ncnc(NCCc3ccccc3)c2c1 122253 GFAXHVDRUDGRNF-UHFFFAOYSA-N 328.213 4.047 0 40 EIAB CCOc1ccc2[nH]c3c(NCCc4ccccc4)ncnc3c2c1 533761 QNHJMRZHSOWUGC-UHFFFAOYSA-N 332.407 4.164 0 40 EIAB Cc1cccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 1018223 SJFIKUOBWUJLIH-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)Cc1ccccc1-2 1556421 CSXQNWOZKWNJON-UHFFFAOYSA-N 345.423 4.450 0 40 EIAB CN(C(=O)C1=C(C(=O)N(C)c2ccccc2)CCCC1)c1ccccc1 1667682 GLHNFVXKPGBCBS-UHFFFAOYSA-N 348.446 4.183 0 40 EIAB CC(C)N(C(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1)C(C)C 1668192 CTLRTOZEKFENLH-UHFFFAOYSA-N 341.499 4.025 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 2200500 JBYGUWLTBNNDCH-KRWDZBQOSA-N 348.229 4.343 0 40 EIAB CCOCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl 3242322 QWLSHESZPZZFBI-UHFFFAOYSA-N 332.252 4.365 0 40 EIAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc21 3293526 BDCLWKPXSWDHJB-AWEZNQCLSA-N 339.464 4.026 0 40 EIAB COc1ccc([C@@H]2CC(=O)c3c(oc(C(=O)OC(C)C)c3C)C2)cc1 4087539 UHFXMPVUNSPYSV-CQSZACIVSA-N 342.391 4.075 0 40 EIAB biogenic O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCCCC1 4145799 PTEDWRICVFBDJZ-UHFFFAOYSA-N 331.419 4.165 0 40 EIAB C[C@@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 4696165 XBQQSKDHKLLHLN-GPMSIDNRSA-N 341.476 4.156 0 40 EIAB Cc1ccc(-c2nc(NCc3cccs3)n(C(=O)C(C)C)n2)cc1 4777282 IMSLVEKFOJSPDJ-UHFFFAOYSA-N 340.452 4.223 0 40 EIAB CNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc(C)c1C 5145007 JSSCCNUJTALXGS-CMDGGOBGSA-N 348.855 4.030 0 40 EIAB COc1cc(NC(=O)c2oc3ccc(OC)cc3c2C)cc(OC)c1 6378441 HMCSLQCUZJOZFM-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 6942246 DFFMVFGKOWTWQJ-UHFFFAOYSA-N 325.799 4.002 0 40 EIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cnc2ccccc2n1 8313048 SWSUIPPQPDPBDU-SFHVURJKSA-N 337.810 4.164 0 40 EIAB CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CCCCC1 8470862 CCTJIKYDROANGP-UHFFFAOYSA-N 336.435 4.344 0 40 EIAB O=C(Nc1ccccc1F)C1CCN(Cc2ccc(Cl)cc2)CC1 9063393 JTPFQEKFBDGJFY-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 9357340 ISTKTDUPVOFTJT-UHFFFAOYSA-N 334.297 4.477 0 40 EIAB CCn1c(C)cc2cc(NC(=O)[C@@H]3OCOc4ccccc43)ccc21 12148375 HANNCUKIKBQOMP-LJQANCHMSA-N 336.391 4.016 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 12460572 TTWRRFCRMZZXJW-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB CCCCc1nc2ccccc2n1CC(=O)N(CC)Cc1ccccc1 12657369 ZYBQOXKDQYIKFT-UHFFFAOYSA-N 349.478 4.428 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 12658740 FMNPCVNWRFPDCA-ONUIULTDSA-N 328.452 4.483 0 40 EIAB biogenic Cc1ccc(-n2nc(C)c(NC(=O)c3ccc(F)cc3F)c2C)cc1 12865980 ZHZWRPNQXHBYQE-UHFFFAOYSA-N 341.361 4.328 0 40 EIAB CCc1ncc([C@@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 13281764 SHRCSHVAIBZNBJ-IBGZPJMESA-N 326.827 4.229 0 40 EIAB Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 13997622 CYHMLDKJXVCGLM-LLVKDONJSA-N 326.227 4.397 0 40 EIAB Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1cccs1)C2 17066756 PXEXWKMKFZTFEH-GFCCVEGCSA-N 326.396 4.294 0 40 EIAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 18036293 HHPKJTSDSHMPGH-UHFFFAOYSA-N 345.406 4.266 0 40 EIAB COc1ccc([C@H]2N[C@@H](c3nc(C)cs3)Cc3ccsc32)cc1 19240273 GNRSGQKDUDUFFW-HZPDHXFCSA-N 342.489 4.498 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)cc1OC 20044629 NRBWZCYPQAXNQV-HNNXBMFYSA-N 349.814 4.153 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20141596 BOZKHYNGCHOBPH-UHFFFAOYSA-N 333.771 4.078 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(C)cc1 20495567 XCVAAVOAXKDKOG-LJQANCHMSA-N 325.452 4.428 0 40 EIAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccc2c(c1)CCCC2 21398347 OFYVRHIOAHKWNW-JLTOFOAXSA-N 337.488 4.460 0 40 EIAB COC(=O)c1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 22076811 FIJKPPVHLSTCAZ-UHFFFAOYSA-N 335.403 4.066 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccccc2F)cc1OCC 24613806 SBLCWYGLVKJAOD-UHFFFAOYSA-N 331.387 4.194 0 40 EIAB OCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 27695580 MOGADHNQJMRJFJ-UHFFFAOYSA-N 328.415 4.209 0 40 EIAB Cc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2ccco2)s1 30471406 ZWJMCKBCDYRCQL-CMDGGOBGSA-N 327.405 4.485 0 40 EIAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 30853635 KCMOQAALEAMFEL-CQSZACIVSA-N 340.423 4.174 0 40 EIAB Cc1cccc(-c2nc(CSc3ncnc4ccsc34)no2)c1 32330441 FYJMHFOJKNDUQP-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB COc1cccc(NC(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 32777594 LZWFCODPDAACSV-SFHVURJKSA-N 344.842 4.124 0 40 EIAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1C(C)(C)C 36390510 SDDYUTYBFAEAHK-FZKQIMNGSA-N 325.408 4.151 0 40 EIAB O=C(Nc1cccc2nsnc12)C1(c2cccs2)CCCC1 38488753 NACZIXFGWPXTJU-UHFFFAOYSA-N 329.450 4.203 0 40 EIAB Cc1ccc(C)c(CS(=O)(=O)Cc2cc(-c3ccccc3)on2)c1 44635851 UCWPYZZASCQTOR-UHFFFAOYSA-N 341.432 4.073 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 44903305 NHCFGESKHHGGRZ-IAGOWNOFSA-N 341.451 4.347 0 40 EIAB CCCCc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 46077859 OMDDBICRVXGGSY-UHFFFAOYSA-N 325.408 4.443 0 40 EIAB O=C(c1ccc(Cl)cc1F)N1CCC(Nc2ccccc2)CC1 48292337 IBJBPYXMPORLLC-UHFFFAOYSA-N 332.806 4.196 0 40 EIAB c1ccc(Cc2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1 49169815 MUDJOBMGXRGJQC-SFHVURJKSA-N 325.456 4.030 0 40 EIAB biogenic,in-vitro CCc1c(C(=O)CN2CCC[C@@H]2c2ccsc2)[nH]c(C)c1C(C)=O 58392668 VNFJDFHRGPVOCF-MRXNPFEDSA-N 344.480 4.169 0 40 EIAB C[C@@H](OC(=O)c1ccccc1F)c1nc2ccccc2n1C(F)F 58511718 LWPXVPOWOXHJSR-SNVBAGLBSA-N 334.297 4.489 0 40 EIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(F)c(F)c2F)S1 71289117 HUVRICCYRQHCNM-CYBMUJFWSA-N 341.358 4.473 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cc(Cl)ccc2F)C1 72403575 XVQPJOUOQQCHRP-GFCCVEGCSA-N 345.761 4.441 0 40 EIAB Cc1ccc2cccc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)c2n1 88381319 YXKABBLPZKCGDX-MRXNPFEDSA-N 335.411 4.025 0 40 EIAB COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)COC3)c1 92163338 DPYVIGSJZGTAEZ-IBGZPJMESA-N 338.407 4.094 0 40 EIAB C[C@@H](SCc1nccn1C(F)F)c1nc(-c2ccccc2)no1 95418084 GVTCRQFCZWTLCV-SNVBAGLBSA-N 336.367 4.323 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@H]2CCC[C@@H]21 96461422 VQMAMVDNFOAMED-PBHICJAKSA-N 338.411 4.065 0 40 EIAB Cc1cnc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 97033055 MKMIHJSAHPLKDX-HNNXBMFYSA-N 335.407 4.086 0 40 EIAB C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCOCC1 97038084 ZWDXJBOFXKSCOL-INIZCTEOSA-N 345.487 4.322 0 40 EIAB OC1=C2Nc3ccc(Cl)cc3N=C2O[C@@H]1c1ccc2c(c1)OCO2 104240122 ZTDASERBCLKFPW-MRXNPFEDSA-N 342.738 4.065 0 40 EIAB Cc1ccccc1COc1ccc(/C=C/c2nnc(N)o2)cc1Cl 216893316 AVOIIMOPABRLHP-VQHVLOKHSA-N 341.798 4.363 0 40 EIAB CCOc1ccc(CNC(=O)c2ccc(OCC)c(Cl)c2)cc1 222605248 PCGZWKSBDIGZCA-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB Cc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)n1 225308371 IIDWAQYPEPJAOE-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c(C)c1 225792946 ZPSWGBVYPWXXOE-UHFFFAOYSA-N 331.419 4.245 0 40 EIAB Cc1cc(NC(=O)/C=C/c2ccccc2)cc(Br)c1O 226243389 ODUXAYJMYVEXAM-BQYQJAHWSA-N 332.197 4.115 0 40 EIAB COC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 257278241 OBKRUMKIBYGZOM-UHFFFAOYSA-N 338.447 4.483 0 40 EIAB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 408526831 HBVDIZDHDWUMLQ-KAMYIIQDSA-N 341.363 4.250 0 40 EIAB O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)c(Cl)c1 31570 OEEAYBNRQYPWRB-UHFFFAOYSA-N 335.234 4.385 0 40 EIAB CCCN(Cc1ccccc1)C(=O)c1ccc2nc(C)c(C)nc2c1 49180 JUIHHZGBQORNHC-UHFFFAOYSA-N 333.435 4.299 0 40 EIAB Cc1cccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1 101434 JZZNNPRFLSRFRI-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1C 190392 FRCUDOUINIYEAP-UHFFFAOYSA-N 325.389 4.249 0 40 EIAB O=C1c2ccccc2C(=O)N1c1ccc(C(F)(F)F)c(Cl)c1 483146 KTOUCUMOEVMDQB-UHFFFAOYSA-N 325.673 4.159 0 40 EIAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)c1 1268845 YFJDPFGJOQCURP-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB CCCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C 1927009 MUEJFMJNBGHTSH-KRWDZBQOSA-N 339.414 4.374 0 40 EIAB C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 2623357 XZVUTDJBSGTCBG-NSHDSACASA-N 345.855 4.186 0 40 EIAB Fc1ccccc1Nc1nnc(SC[C@@H]2CCCCO2)s1 3469174 RQIOVUCXPZGETB-JTQLQIEISA-N 325.434 4.082 0 40 EIAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1 4995206 ACIYRMKBNPQMME-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB COCc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 5279021 NHRDHHYVMPPDDE-UHFFFAOYSA-N 327.424 4.391 0 40 EIAB Cc1ccccc1C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 5620240 OXKFJUNSQOSEFE-UHFFFAOYSA-N 348.431 4.171 0 40 EIAB COc1ccc(OC)c(NC(=O)Cc2c(Cl)cccc2Cl)c1 5701802 XZNPKAIHCZPTLU-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1c(F)cccc1F 6343444 CAHVHGACQVRTMO-NSHDSACASA-N 325.380 4.279 0 40 EIAB CCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C 6610329 IQRHTIPCNNHNLQ-UHFFFAOYSA-N 344.480 4.448 0 40 EIAB O=Cc1ccc(-c2cc(Br)ccc2Br)o1 6925712 CXDBOCHHFYJLDF-UHFFFAOYSA-N 329.975 4.284 0 40 EIAB CC(=O)c1cccc(NC(=O)CSc2ccc(F)c(Cl)c2)c1 7582659 VHFLVRWTIAXNJF-UHFFFAOYSA-N 337.803 4.413 0 40 EIAB COc1ccccc1CCNC(=S)Nc1cccc(Cl)c1C 7620392 ZSHLITABLUGSSA-UHFFFAOYSA-N 334.872 4.186 0 40 EIAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)c1c[nH]c2ccccc12 7703425 XLZCVSZGZZNJHA-ZDUSSCGKSA-N 346.386 4.088 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCc1ccc(Cl)cc1 8085062 PEDAGARYJNTNAC-UHFFFAOYSA-N 339.822 4.474 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(C)c3)ccc21 9137291 AKNZNRILGXLZLN-UHFFFAOYSA-N 336.435 4.327 0 40 EIAB Fc1ccc(-n2ncc3c(Oc4ccc(Cl)cc4)ncnc32)cc1 9569675 PLAZJUSOLTUXSI-UHFFFAOYSA-N 340.745 4.400 0 40 EIAB Cc1cccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)c1C 9669150 OXWIOLCKSNKWBK-UHFFFAOYSA-N 340.814 4.182 0 40 EIAB COc1ccccc1Cc1noc2cc(OC(=O)c3ccco3)ccc12 11854116 WXGHKBHJCIMFQL-UHFFFAOYSA-N 349.342 4.239 0 40 EIAB COc1ccc2cc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)ccc2c1 12902664 OMJRCXARBZXGPJ-UHFFFAOYSA-N 349.217 4.413 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 12912079 MTYSVLWJIKIQLN-UHFFFAOYSA-N 335.325 4.047 0 40 EIAB CCc1ccc(OCc2nnc(S)n2-c2ccc(C)cc2)cc1 13535529 RXKKSNLOEVCJJS-UHFFFAOYSA-N 325.437 4.006 0 40 EIAB O=c1c2cc(OCc3cccc4ccccc34)ccc2nc2n1CCC2 13690946 ZVWYRWXYERRHNF-UHFFFAOYSA-N 342.398 4.075 0 40 EIAB C[C@@H]1CCCN(Cn2nc(Nc3ccc(F)cc3)sc2=S)C1 14189391 JYGFZEMLAWVXKM-LLVKDONJSA-N 338.477 4.246 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1Cl 16101278 MJSNKYZKSNCGBI-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB CCOc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19520177 BUISKCJYGOQDMZ-QGZVFWFLSA-N 335.451 4.341 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(NC(C)=O)cc1 20450808 IOPHEHIAQCDCQW-GOSISDBHSA-N 340.423 4.058 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1Cl 20454751 ZJXZFYARNDSQDI-BJMVGYQFSA-N 347.773 4.308 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 20492684 FEQSCSPDZSXGJL-VQIMIIECSA-N 341.451 4.429 0 40 EIAB CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3)nc21 20605441 BZVAKLGMDZLFHV-UHFFFAOYSA-N 333.363 4.079 0 40 EIAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(Nc3ccccc3)ncc21 20795851 YAXYYGBYHHAGPD-CQSZACIVSA-N 333.366 4.272 0 40 EIAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1F 22072857 UZNAJGYDVWHZBT-UHFFFAOYSA-N 325.318 4.356 0 40 EIAB CCOc1ccccc1NC(=O)Cc1nc(-c2cccs2)oc1C 25063946 RMYIOGVHNIPUEU-UHFFFAOYSA-N 342.420 4.291 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 25681202 NXGDUQBUXJPLTG-OAQYLSRUSA-N 347.458 4.228 0 40 EIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)NC1CCCCC1 27921802 DPGOOSUPBZVPIJ-UHFFFAOYSA-N 344.434 4.142 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(-n2cccc2)cc1 28221072 FXBRZXCKXGNZQE-ZDUSSCGKSA-N 326.346 4.247 0 40 EIAB COc1ccc(CC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1F 32915472 LLGYJAJZEMTLDG-QGZVFWFLSA-N 335.444 4.342 0 40 EIAB CC(C)c1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 35290940 ZDHRPJOKSBUIEP-UHFFFAOYSA-N 335.436 4.317 0 40 EIAB Clc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1 39246700 BHHDDCRCEQHMEA-UHFFFAOYSA-N 326.783 4.288 0 40 EIAB CS[C@@H](C)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 58184767 GKBPIWYSHDKJAZ-SJCJKPOMSA-N 335.419 4.116 0 40 EIAB Cc1noc(C)c1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 58315004 OWBVZJXXNFPILN-UHFFFAOYSA-N 340.354 4.262 0 40 EIAB COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 59366516 KHRQPPPUTRRENI-UHFFFAOYSA-N 336.416 4.076 0 40 EIAB COc1cc(/C=C/C(=O)OC(C)C)ccc1OCc1ccccc1 62714629 VYJGGMOBEYYMFX-ZRDIBKRKSA-N 326.392 4.239 0 40 EIAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)c1nccn1C1CC1 63868838 KBGINXBYHVZROH-UHFFFAOYSA-N 346.496 4.106 0 40 EIAB CCc1ncc(CN(C)C(=O)Nc2c(CC)cccc2CC)s1 67536874 VGXJIGIDWPUNCP-UHFFFAOYSA-N 331.485 4.494 0 40 EIAB C[C@H](CCNC(=O)c1cccnc1NC1CCCC1)c1ccccc1 70039291 IUDBAGJDLGQNSB-MRXNPFEDSA-N 337.467 4.360 0 40 EIAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(F)cc1 71326693 GRTGZDAZXXKHRA-UHFFFAOYSA-N 347.459 4.265 0 40 EIAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 71842120 CVTBASIDJAHXSE-IUIKQTSFSA-N 334.341 4.081 0 40 EIAB O=C(/C=C/c1ccncc1)Nc1ccccc1-c1nc2ccccc2[nH]1 71893527 PXDCEVSGXHLWOZ-MDZDMXLPSA-N 340.386 4.277 0 40 EIAB COc1cccc(Oc2ccc(N[C@@H](C)c3nnc(C)o3)cc2)c1 71902540 CMNHOTKRDLRXAV-LBPRGKRZSA-N 325.368 4.352 0 40 EIAB CC(=O)c1cccc(O[C@H](C)C(=O)N(C)C2CCCCCCC2)c1 72052700 BAIHNLJYVJQAHR-MRXNPFEDSA-N 331.456 4.228 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 72215251 JNIDWZWTACDBFO-GDBMZVCRSA-N 333.476 4.436 0 40 EIAB Cc1cc([C@H](N)c2ccccc2)cnc1N1CCc2ccccc2C1 72222855 HSKLABVNZBJSDT-OAQYLSRUSA-N 329.447 4.001 0 40 EIAB CC(C)c1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 72389915 RKGGJJGXCUWKKJ-IBGZPJMESA-N 348.450 4.245 0 40 EIAB CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC2CCCCC2)c1C 77480582 SVSVPSIDPOZEQY-UHFFFAOYSA-N 336.497 4.310 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)CCC(F)(F)F)cc1 79372824 FZVCQDUAJOURFW-OAHLLOKOSA-N 329.362 4.481 0 40 EIAB Cc1cccc(N(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1C 84213390 WNNDISIJZSIRIE-UHFFFAOYSA-N 348.450 4.048 0 40 EIAB COc1ccc(OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 95349151 DUYIQHWCCZTIJP-UHFFFAOYSA-N 344.436 4.290 0 40 EIAB C[C@]12C[C@@H](C(F)(F)F)N(Cc3ccccc3)[C@H]1CCCCC2=O 95951590 GDBZEQVPWPSMLY-ZOBUZTSGSA-N 325.374 4.341 0 40 EIAB CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1noc(C)n1 95999178 JXBMHFZUUKJXBH-MRXNPFEDSA-N 328.416 4.090 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1nn(-c2ccccc2)cc1C 96415941 LAXWFANLIYMFOL-SFHVURJKSA-N 349.438 4.191 0 40 EIAB C[C@H](NCc1ncc(-c2cccs2)o1)c1ccc2c(c1)OCCO2 97033010 XDBZIOAHGCTXQG-LBPRGKRZSA-N 342.420 4.025 0 40 EIAB C1CCC(c2nnc(SCc3nnc(C4CC4)n3C3CC3)o2)CC1 97083518 AHUDAROJHONWPH-UHFFFAOYSA-N 345.472 4.213 0 40 EIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100648039 WTGAUOGKNHJVTI-SLUIBLPYSA-N 345.398 4.099 0 40 EIAB CCOc1ccc2nc(S[C@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)[nH]c2c1 100951084 DMHROJCTYQWEMO-UVIMBBFXSA-N 344.480 4.448 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccccc1 107493432 XNAKAHJORJMFIG-QKNQBKEWSA-N 328.415 4.091 0 40 EIAB Cc1ccccc1CSCCNC(=O)COc1cccc(Cl)c1 222765492 UTSZRYOAKNAFAY-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CCCO[C@@]1(C(=O)Nc2cnc(OCC)c(C)c2)CCC[C@H](C)C1 225911466 ODFOMIZOIGHLKR-LIRRHRJNSA-N 334.460 4.103 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1nc2ccccc2s1 390831075 PMBBWJNWFBPUCN-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c(OC)c1 408557147 NCNFZNLFZKWAAK-QGZVFWFLSA-N 349.839 4.136 0 40 EIAB Cc1cccc(C(=O)NCCSCc2c(F)cccc2Cl)c1 408573318 BBLWTWGGOOVZEL-UHFFFAOYSA-N 337.847 4.451 0 40 EIAB CC(C)c1nc2ccccc2n1C1CN(c2ccncc2Cl)C1 1888888518 UPLLDLNTRWHDFI-UHFFFAOYSA-N 326.831 4.269 0 40 EIAB O=C1CCN(C(=O)/C=C/c2ccccc2)c2cc3ccccc3cc21 28952 GOTNOTCXROPXJD-ZHACJKMWSA-N 327.383 4.473 0 40 EIAB O=C(CSc1ccc(F)cc1)Nc1ccccc1Br 122098 LZVRJIYLOAFTCB-UHFFFAOYSA-N 340.217 4.319 0 40 EIAB CCOC(=O)Cc1csc(Nc2cc(Cl)ccc2Cl)n1 1623205 NNTOJKRBUXEUJM-UHFFFAOYSA-N 331.224 4.299 0 40 EIAB CCOc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)cc1 2617076 UNEZZPZTYLBDSD-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccccc2)c1C 3530203 GHLXDQFMQSWVGF-UHFFFAOYSA-N 333.387 4.145 0 40 EIAB COc1ccc(COC(=O)c2nc(-c3ccccc3)oc2C)cc1F 3551142 ZSONSUJPSULXLC-UHFFFAOYSA-N 341.338 4.155 0 40 EIAB Cc1ccc(Nc2c(-c3ccccc3O)nc3ncccn23)c(C)c1 4734246 ITKDDUADCCMHNF-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB C/C=C/c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(OC)c1 5440362 IUIIRXIEDWYQAD-ONEGZZNKSA-N 345.826 4.077 0 40 EIAB CN(CCc1ccccn1)c1ncnc2sc(-c3ccccc3)cc12 6911113 PTOADFHXDKPRDR-UHFFFAOYSA-N 346.459 4.432 0 40 EIAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 7361252 IJUBUBIXECXJAA-UHFFFAOYSA-N 333.453 4.182 0 40 EIAB COc1ccc(CNCc2cc(Cl)cc(Cl)c2OC)cc1 7538598 SPHQKBSOSXJRML-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)cc1 8026036 KMUFURUWTDFQQG-IBGZPJMESA-N 336.435 4.003 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 8496411 YKEWFZMGCQIHHA-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB Cc1nc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)nc2c1CCCC2 8548733 ICBMSLDVHUITMU-NRXGSXMXSA-N 330.497 4.150 0 40 EIAB C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)c1ccncc1 10132602 SXDSDHWPRXRBKN-KGLIPLIRSA-N 333.435 4.179 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1Cl 10994704 BNMMRGLQXILDEE-UHFFFAOYSA-N 325.795 4.302 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)cc1 12525505 LXTWKCDAGXYAMH-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB COc1cccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 12764930 VRPBHGWXUFHMPL-QHCPKHFHSA-N 345.442 4.452 0 40 EIAB COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1F 12867380 DPHNWKMICCJAGP-KRWDZBQOSA-N 333.790 4.369 0 40 EIAB CC(C)c1ccc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccccc2)cc1 12913468 TZUBGIYRPVHHGZ-WNSKOXEYSA-N 329.465 4.086 0 40 EIAB O=C1CN(C(=O)c2cccc(Oc3ccccc3)c2)c2ccccc2N1 14017865 FZULDRSRONUBKM-UHFFFAOYSA-N 344.370 4.078 0 40 EIAB O=C(CSc1ccc(F)cc1)NCCCSc1ccccc1 14169964 VDYJTIYOBJEMGP-UHFFFAOYSA-N 335.469 4.216 0 40 EIAB Cc1ccc(O[C@H](C)CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 19738233 DYUMWBRPHPTDHV-DYESRHJHSA-N 341.451 4.432 0 40 EIAB COc1ccc(CCCNC(=O)c2cc3ccccc3cc2OC)cc1 20460375 VDCNHENBWURHKP-UHFFFAOYSA-N 349.430 4.220 0 40 EIAB O=C(CSc1ccc(F)c(F)c1)N[C@H](c1ccccc1)C1CC1 22134983 NBSNAHBVMXJBLI-GOSISDBHSA-N 333.403 4.324 0 40 EIAB COc1cccc2oc(C(=O)c3ccc(NC(=O)C(C)C)cc3)cc12 32869618 NVJRMSYXKUCVFL-UHFFFAOYSA-N 337.375 4.267 0 40 EIAB CCOc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1OC(F)F 33028586 JWBLZTUCQBUYHU-SGMGOOAPSA-N 341.398 4.241 0 40 EIAB Cc1nc(CSc2nnc(-c3ccco3)n2CC(C)C)cs1 39964466 JFPCBDLXQRUXPM-UHFFFAOYSA-N 334.470 4.251 0 40 EIAB O=C(Nc1ccccc1F)C1(c2ccc3c(c2)OCCO3)CCCC1 40012780 FFUAIJXOXVFFMH-UHFFFAOYSA-N 341.382 4.047 0 40 EIAB COc1ccc(OC)c(NC(=O)c2c(Cl)c3ccccc3n2C)c1 40143367 XMQFOOBOEZRMPY-UHFFFAOYSA-N 344.798 4.101 0 40 EIAB CCN(CC)CCOC(=O)c1cc(-c2ccccc2)nc2ccccc12 46085553 FUQNHWMPYNQFEV-UHFFFAOYSA-N 348.446 4.400 0 40 EIAB CCN(C[C@@H]1CCCO1)c1ncnc2sc(-c3ccccc3)cc12 48290349 OGIUWRPPHOORMV-HNNXBMFYSA-N 339.464 4.364 0 40 EIAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)cn1 49548606 OBRWDABSRLCTDW-UHFFFAOYSA-N 340.452 4.232 0 40 EIAB Cc1nc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)sc1C 58416741 UVQLOOJAUCAXSW-BQYQJAHWSA-N 342.342 4.310 0 40 EIAB CC[C@@H](N[C@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 71910801 VVFFZJJRJPOFBX-KGLIPLIRSA-N 338.860 4.060 0 40 EIAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCCC2)cn1)C1CCC1 72215453 COLGRGJDNOFNPO-UHFFFAOYSA-N 329.444 4.349 0 40 EIAB Cc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccc1Cl 72414393 SQWIDTYLMHEISB-UHFFFAOYSA-N 337.872 4.250 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)Cc2ccsc2)s1 75606879 HVGCUVBPTOWEDC-PWSUYJOCSA-N 337.514 4.155 0 40 EIAB Cc1ccc(C)c(CC(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)c1 78463533 YXYBLDCKZZSDAM-UHFFFAOYSA-N 346.434 4.147 0 40 EIAB CSc1nnc(C)c(/C=C/Nc2ccc(Cl)c(Cl)c2)n1 100323001 WHEXCLVRAWQHIT-AATRIKPKSA-N 327.240 4.292 0 40 EIAB CC(C)CC(=O)CC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 104274061 ICXSMTDKNQYQQQ-UHFFFAOYSA-N 344.238 4.287 0 40 EIAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(O)cc1 110701042 FOLKFXCYLMOWMP-VGOFMYFVSA-N 348.786 4.076 0 40 EIAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 214213153 SMFJYDDREYRLPE-MHWRWJLKSA-N 343.379 4.071 0 40 EIAB COc1ccccc1CC(=O)N1CCS[C@H](c2cccs2)CC1 219512083 HGRRNNORASSIPD-KRWDZBQOSA-N 347.505 4.006 0 40 EIAB O=C(CCc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 222660111 DJBXOWNYIMIHID-UHFFFAOYSA-N 344.458 4.121 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccccc1F)CC(C)(C)O2 223454902 WGTYDPRRZIUMNL-SFHVURJKSA-N 341.426 4.485 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1 224040505 SFOHLEWQUQMCRB-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB CCNC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224309172 UIJNFPKOHWIYTM-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 224423359 QQLFKNRPAFZDCD-UHFFFAOYSA-N 347.480 4.490 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CCSCc1ccccc1 224558902 DMJVQPLMOJDFKS-HNNXBMFYSA-N 329.465 4.196 0 40 EIAB CC(C)Oc1ccccc1NC(=O)COc1cccc2c1CCCC2 225050037 CVFJIRRMFKCBIS-UHFFFAOYSA-N 339.435 4.370 0 40 EIAB CC(C)CCNC(=S)Nc1ccc(Br)c(Cl)c1 225380058 IDCZWCILUYUSQD-UHFFFAOYSA-N 335.698 4.435 0 40 EIAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225596827 RMXAQTRRXLBZSY-KRWDZBQOSA-N 344.499 4.316 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(F)c(F)c1 225704032 DBJHTOMNUVLSBC-KRWDZBQOSA-N 348.418 4.337 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1snnc1-c1ccc(F)cc1 225778247 AHFYPIDTYWCYRO-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2cccs2)CC1 257292121 QKCNLOUBJJIPDS-UHFFFAOYSA-N 326.874 4.052 0 40 EIAB Cc1ncc(-c2cccc([C@@H]3CCCN(C4CCCCC4)C3)n2)n1C 257311648 UKLMQPNTXIPJBL-QGZVFWFLSA-N 338.499 4.303 0 40 EIAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 408668921 RIGCFBQZLCFORM-SFHVURJKSA-N 345.398 4.107 0 40 EIAB Fc1ccc([C@H]2CC[C@H]2c2nc(Cn3cnc4ccccc43)no2)cc1 528170444 ZIQATWGBICVHPZ-HZPDHXFCSA-N 348.381 4.268 0 40 EIAB CN(Cc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585288651 GTYWCIAXGNOVJL-XUVXKRRUSA-N 345.870 4.133 0 40 EIAB CC1(C)C[C@@H]2CN(Cc3cscn3)CC[C@@H]2N1c1cccc(F)c1 1615126985 BYTCLLCBXIFRNR-KDOFPFPSSA-N 345.487 4.162 0 40 EIAB CCC(CC)CN1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1ccco1 2055745901 OCAJHXQMOXBKTR-UFRUDQCGSA-N 346.515 4.070 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc2c1=O 43502 HKZYJYNDFAVWBL-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB CC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 266853 FSPOYMAOQPVLAG-UHFFFAOYSA-N 325.408 4.339 0 40 EIAB CC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 509006 XYMKSCDRNBYTCE-UHFFFAOYSA-N 340.423 4.094 0 40 EIAB CCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)C(C(=O)OC)=C1C 574455 VOERYSMCKLGZBR-LGMDPLHJSA-N 341.451 4.067 0 40 EIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1CCCO1 2639719 LEHXISVXXBFNSN-HNNXBMFYSA-N 340.404 4.206 0 40 EIAB O=C(COc1ccccc1Cl)Nc1ccccc1Br 3602931 YZXPWMQVLXDDMW-UHFFFAOYSA-N 340.604 4.120 0 40 EIAB Cn1nc(Oc2ncc(C(F)(F)F)cc2Cl)cc1C(F)(F)F 4059931 HUAPDEBXQOIQEC-UHFFFAOYSA-N 345.630 4.298 0 40 EIAB CCOC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 4666351 IKVIMCJZUZQPLH-UHFFFAOYSA-N 349.386 4.034 0 40 EIAB O=C1S[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1 4713546 NWLNPRHSHQUXJD-KRWDZBQOSA-N 334.400 4.478 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1c(C)ccc2nsnc12 5008240 UJUOYRYFKINZLF-UHFFFAOYSA-N 349.415 4.414 0 40 EIAB CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2Cc1ccoc1 5492542 HEYXXBUDMDVUNQ-CEWLAPEOSA-N 325.452 4.490 0 40 EIAB in-vivo CN(C)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 5688668 HFCOHWQIHGVGJG-UHFFFAOYSA-N 340.448 4.250 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cc(C)cc2Cl)c1C 5938069 WFMDILYHUBGVRN-UHFFFAOYSA-N 348.830 4.331 0 40 EIAB Cc1nc(NCCc2ccccc2)sc1C(=O)Nc1ccccc1 6865403 YULVMVVPOVWQFM-UHFFFAOYSA-N 337.448 4.358 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=S)NCCc1ccccc1 7403855 HURSNSNORBNSAW-INIZCTEOSA-N 330.522 4.175 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)CCC2 7888973 QIGDETHGRALAJE-UHFFFAOYSA-N 330.225 4.499 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 7941099 RGRSCIATXPDWID-UHFFFAOYSA-N 346.386 4.151 0 40 EIAB CCOCCCNCc1ccc(OCc2ccccc2)c(OCC)c1 8253185 BLEQLLLHVSRWRB-UHFFFAOYSA-N 343.467 4.181 0 40 EIAB CCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OCC 8324847 RMDPWDBTBYVHOR-UHFFFAOYSA-N 329.484 4.398 0 40 EIAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc(OC)cc1 8382799 CLHRODCFQZLPSX-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB O=C1S[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 12136859 KKRLHHUYWODRFV-CYBMUJFWSA-N 336.775 4.117 0 40 EIAB Fc1ccc(-c2n[nH]cc2CNCCSc2ccccc2)cc1 12541032 ADHJHUXAJRBWDT-UHFFFAOYSA-N 327.428 4.098 0 40 EIAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1 12562989 YNMFMXOJBDZPEL-SILNSSARSA-N 333.174 4.071 0 40 EIAB FC(F)(F)c1nc2n(n1)[C@@H](c1ccccc1)C=C(c1cccs1)N2 12601193 BYAGOQWSANJGDT-GFCCVEGCSA-N 348.353 4.414 0 40 EIAB CCN(CC)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 12864998 YCOSWABSVNYDCE-UHFFFAOYSA-N 335.407 4.194 0 40 EIAB Cc1ccc(CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 15431119 RDQFBGGDOYTZMH-UHFFFAOYSA-N 341.480 4.301 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)Nc1cccc(Cl)c1 18176831 NHGGFLLIDMEUST-UHFFFAOYSA-N 343.858 4.258 0 40 EIAB CCCc1c(C)nc2nc(SCc3ccc(Cl)cc3)nn2c1O 18240920 AAQQGRZQNIDPEM-UHFFFAOYSA-N 348.859 4.037 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C 22186460 RLJNHVCLTMAWGT-UKRRQHHQSA-N 330.453 4.258 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)c2cccc(Cl)c2)cc1 24864203 QDCUGNIRRDJHOS-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CSc2ccc(OC)cc2)cc1 26051331 VIKRXSYLHKELSR-AWEZNQCLSA-N 345.464 4.063 0 40 EIAB CCN(CC)[C@@H](CNC(=O)Cc1ccccc1)c1ccccc1Cl 27578774 SJECBYCVETZLLB-IBGZPJMESA-N 344.886 4.082 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 28220095 FEILUFFJHMGNDV-UHFFFAOYSA-N 348.406 4.086 0 40 EIAB COc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 28286948 UZHBLPCYPBVNQH-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(F)cc3Cl)c2)n1 32026003 PJGUMHOITMHRAV-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB O=C(CCC1CCCCC1)Nc1ncn(Cc2cccc(Cl)c2)n1 32647825 MDJSFGCHXXQPCL-UHFFFAOYSA-N 346.862 4.279 0 40 EIAB Cc1ccccc1OCCOC(=O)CCCc1c[nH]c2ccccc12 32666276 MVGIVAXAJDZHBU-UHFFFAOYSA-N 337.419 4.421 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]21CCC(=O)O1 36377997 UJVLDDZCTMKXJK-AAPKDCIVSA-N 340.463 4.370 0 40 EIAB Cc1ccccc1N1C(=O)/C(=C/c2cccnc2)c2ccccc2C1=O 39486718 QGGDEHSQXZOFTQ-CPNJWEJPSA-N 340.382 4.118 0 40 EIAB O=C1S/C(=C\c2ccccc2O)C(=O)N1c1ccc(Cl)cc1 39860651 SITABVRUKLSMEB-ZROIWOOFSA-N 331.780 4.287 0 40 EIAB C[C@H](Sc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1 40017452 CHDSEYLRNLQBHF-NSHDSACASA-N 341.415 4.190 0 40 EIAB CC(C)NC(=O)CSCc1csc(-c2ccccc2Cl)n1 40067205 YMXBTDSHDMCQBB-UHFFFAOYSA-N 340.901 4.221 0 40 EIAB C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(OCc2ccncc2)cc1 40069545 JLDFWNGLLDDYTG-PYUISTEWSA-N 336.435 4.075 0 40 EIAB O=C(c1ccc2c(c1)OCO2)N1CCCc2cc(C(F)(F)F)ccc21 40069921 KBWUMDVQWVKTTB-UHFFFAOYSA-N 349.308 4.027 0 40 EIAB CC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2C)cc1 40227539 XVBDREINAYSWTK-UHFFFAOYSA-N 343.390 4.070 0 40 EIAB O=C(c1ccc(CSc2ncccc2Cl)cc1)N1CCCC1 43792197 AAXSKLVSMRZSDG-UHFFFAOYSA-N 332.856 4.263 0 40 EIAB Cc1nccc(-c2cccc(NC(=S)N[C@H](C)c3ccccc3)c2)n1 44107137 LUBPCROBSCOPKS-CQSZACIVSA-N 348.475 4.500 0 40 EIAB CCCc1noc([C@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)n1 48314945 HHDDRNCPOIJZSJ-JTQLQIEISA-N 332.404 4.405 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)n[nH]2)cc1 51315493 JSWXKGTXNXYFHV-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB CC[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(O)cc2)CC1 57981338 QVWVQCYNLGCBRY-IBGZPJMESA-N 330.859 4.319 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)no1 58377565 WQMRVBGCTBYBCA-AWEZNQCLSA-N 342.292 4.118 0 40 EIAB CCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 59219477 VKNIAKUXKWNGIP-UHFFFAOYSA-N 339.420 4.089 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)n1 61109993 LMOCPFVUFUEALN-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 65594613 NLUMKFBJXHRPDY-CQSZACIVSA-N 347.503 4.358 0 40 EIAB CC(C)Oc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 72064229 UGZAUMJBZYNBBL-UHFFFAOYSA-N 348.240 4.418 0 40 EIAB Cc1nc([C@H](C)NC(=O)N(Cc2ccccc2F)C2CC2)cs1 72271622 NSMHVYXTZKTYDE-NSHDSACASA-N 333.432 4.026 0 40 EIAB c1ccc(CCCN2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1 72379113 SZKQHVAOMYSFOK-UHFFFAOYSA-N 346.478 4.080 0 40 EIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1cccs1 79493597 NYYBSMOTRCVYER-UHFFFAOYSA-N 337.360 4.137 0 40 EIAB Cc1nc2ccc(N(C)C(=O)c3ncccc3OC(C)C)cc2s1 81650935 VGBWDCHKZAZGQO-UHFFFAOYSA-N 341.436 4.064 0 40 EIAB O=C(O)c1sc2cc(Br)ccc2c1C(F)(F)F 90550142 PJGAVVIJEDQBCB-UHFFFAOYSA-N 325.105 4.381 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C1CCCCC1 96223054 MOTTVBIVOLUJAZ-GOSISDBHSA-N 326.440 4.250 0 40 EIAB CN(Cc1cscn1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 96404680 UODSTTYRPIEMEY-QWHCGFSZSA-N 341.263 4.212 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1C(=O)C[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)OCCO4 118940850 LXOGEYSXRYPSCR-GJCUDGATSA-N 332.484 4.341 0 40 EIAB COCCN(Cc1ccsc1)C(=O)/C=C/c1ccc(SC)cc1 207975146 JWHGXNKRVZUEAB-VMPITWQZSA-N 347.505 4.158 0 40 EIAB COC(=O)c1cn(C(=O)Nc2ccc(Cl)cc2)c2ccccc12 222641123 QNQWCMCTRGUYKZ-UHFFFAOYSA-N 328.755 4.162 0 40 EIAB Cc1cccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225087557 PQGYXGHCFNAJLV-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccccc2)c1 225280956 UWCAOBCIYYQFEJ-AWEZNQCLSA-N 342.464 4.219 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@H](O)COCC[C@@H]1C[C@H]2CC[C@H]1C2 252506115 QBRZVAUIHARCSG-OKYOBFRVSA-N 337.548 4.233 0 40 EIAB O=C(Sc1nnc(COc2ccccc2)o1)c1ccc(Cl)cc1 408617361 AKBZPATUUBXFER-UHFFFAOYSA-N 346.795 4.235 0 40 EIAB COc1cccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1 409147741 VTUJVUMOUXDXHX-LFIBNONCSA-N 331.437 4.312 0 40 EIAB COc1cnc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)s1 578510989 LGRHWIZWPBPUNC-HUUCEWRRSA-N 341.436 4.004 0 40 EIAB COc1ccc([C@H](C)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1 641902103 JPCDTLYFQNFBQN-AWEZNQCLSA-N 346.858 4.289 0 40 EIAB FC(F)c1cc(C(F)F)n(CCCOCCc2ccccc2)n1 1616035075 QHDISKJORYQNMF-UHFFFAOYSA-N 330.325 4.408 0 40 EIAB O=C(CCCc1ccc2c(c1)CCCC2)Nn1cnc2ccccc21 1629319855 MUERZXPZINQLJU-UHFFFAOYSA-N 333.435 4.008 0 40 EIAB C[C@]12CC[C@H](N)C[C@H]1CC[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@H]12 2362803193 LWWVGEQTRSDAGU-SXJNSPEGSA-N 333.516 4.100 0 40 EIAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccco1 27788 UNONSPAQJGZHRA-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB Cc1occc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 484327 AGUFDFFXNXVBKW-UHFFFAOYSA-N 347.436 4.346 0 40 EIAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 525793 MFPKKSWIBKONEN-SJORKVTESA-N 340.814 4.086 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 560932 QBQYRSVCSKJYFT-HOTGVXAUSA-N 340.467 4.270 0 40 EIAB C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 969904 VPRPANWSSJGICN-BZSNNMDCSA-N 336.479 4.418 0 40 EIAB COc1c2c(c(CCC(=O)O)c3c1C=CC(C)(C)O3)OC(C)(C)C=C2 1730931 ABSANOBAGBYLHY-UHFFFAOYSA-N 344.407 4.081 0 40 EIAB biogenic Cc1ccc(C)c(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 3441033 QQCBEAFTIZINAJ-UHFFFAOYSA-N 334.419 4.463 0 40 EIAB O=Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 4245448 YDMDSWNYGYSMOD-UHFFFAOYSA-N 346.308 4.111 0 40 EIAB COc1ccc(C2(c3ccc(OC)cc3)OC(=O)c3ccccc32)cc1 4692314 ACLVEZCDKFXULE-UHFFFAOYSA-N 346.382 4.166 0 40 EIAB CC[C@H](Oc1ccccc1)c1nn2c(-c3ccoc3C)nnc2s1 4939100 GRNLCEBENBSDHQ-AWEZNQCLSA-N 340.408 4.284 0 40 EIAB COc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(Cl)c1OC 5610960 HDJBJSDUVHRSNL-UHFFFAOYSA-N 331.799 4.098 0 40 EIAB C[C@@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 6054667 ZIJWCRNUEBJMSQ-CQSZACIVSA-N 328.481 4.294 0 40 EIAB in-vitro CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 7657246 OFFYUEMCGVMBPC-KDOFPFPSSA-N 325.408 4.242 0 40 EIAB CN(CC(=O)Nc1cccc(Cl)c1)Cc1nc2ccccc2s1 7688785 WSCOJDFQMBSUHI-UHFFFAOYSA-N 345.855 4.020 0 40 EIAB c1nc(Nc2ccc3c(c2)OC2(CCCC2)O3)c2ccsc2n1 7980076 IXWIRYNYWXFQPT-UHFFFAOYSA-N 325.393 4.476 0 40 EIAB O=C(CN(C1=NCCCS1)c1ccccc1)c1ccc(F)cc1 8436117 DQAJPQAEDTZRTC-UHFFFAOYSA-N 328.412 4.008 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1 8775512 CDHJESHVYVCTIO-LLVKDONJSA-N 346.452 4.431 0 40 EIAB CC(C)CC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959732 VTBFNJJFEKHDNF-UHFFFAOYSA-N 346.471 4.079 0 40 EIAB O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccccc1F 9218353 POMLZQAOPPKRPQ-UHFFFAOYSA-N 326.293 4.209 0 40 EIAB CC(C)Sc1ccc(C(=O)Nc2ncnc3sccc23)cc1 10253336 NLGVBNQSJCMWJP-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB Cc1nc(SCC(=O)OC2CCCCC2)cc(-c2ccccc2)n1 12016911 JZPPAEVPEYRBNR-UHFFFAOYSA-N 342.464 4.420 0 40 EIAB CC(=O)Nc1cccc(NCc2ccc(F)cc2Br)c1 12526963 GEUREBPLAAKNNW-UHFFFAOYSA-N 337.192 4.159 0 40 EIAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F 12809654 WRNMDDVBKGRLBU-XIKOKIGWSA-N 330.378 4.033 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCCCCC1 12905488 YWRKTUXOLFAQFO-UHFFFAOYSA-N 329.419 4.081 0 40 EIAB CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C)cc1 12923557 FLIDSLLIJNONGY-IBGZPJMESA-N 336.435 4.225 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1 12925054 KYEIIYQQRLBFDZ-SFHVURJKSA-N 343.858 4.299 0 40 EIAB Cc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)n1 12946465 MRGBMGDYUADXTP-DHDCSXOGSA-N 344.823 4.280 0 40 EIAB CCCCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O 13928204 ZQCIFSYUYKIOIW-LGMDPLHJSA-N 339.366 4.349 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2C)s1 15840067 YIZLWSXGWLPMAR-UHFFFAOYSA-N 342.489 4.347 0 40 EIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)cc1C 15860738 UWPOZCOGASUXSU-QGZVFWFLSA-N 338.451 4.046 0 40 EIAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 16029160 SIPDQZUYRQJCBL-QGZVFWFLSA-N 344.414 4.140 0 40 EIAB CN(Cc1ccccc1N1CCOCC1)Cc1cccc2ccccc12 16424423 WJOFDMWLVQWAHK-UHFFFAOYSA-N 346.474 4.308 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2ccccc2)c1 20482727 MKOXDRFOKHTMPW-SFHVURJKSA-N 325.452 4.128 0 40 EIAB Brc1cccc(CSc2nnc(NC3CC3)s2)c1 22174482 UEQPUELUBNIQTO-UHFFFAOYSA-N 342.287 4.167 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 22513705 XTECEXYUUKMDRV-LBPRGKRZSA-N 333.815 4.317 0 40 EIAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(Cl)c1 23230053 IPTIIIMATMEBOE-QGZVFWFLSA-N 335.856 4.038 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 23689748 SPUYMYSHSLYEFR-ZDUSSCGKSA-N 337.341 4.270 0 40 EIAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 26398571 HCKPPZMSOFBTOZ-RWSFTLGLSA-N 345.270 4.263 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(Br)c1 27746021 NLBKFLGYIVGFMZ-NHAQELONSA-N 330.225 4.340 0 40 EIAB C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)[C@@H]1CCCO1 27877900 VPTJOAYURRILNO-FZMZJTMJSA-N 335.856 4.366 0 40 EIAB CC(C)(C)c1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)no1 28014669 YGBKBYVHAQBDMD-UHFFFAOYSA-N 332.404 4.189 0 40 EIAB O=C(Nc1cnn(Cc2ccccc2F)c1)Nc1ccccc1Cl 28220372 CVVPIXCNGRADGY-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB COc1ccccc1CC(=O)Nc1nc(C)c(-c2ccccc2)s1 31968206 DIQGOSFGYHRWPG-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB COc1ccc(CCNc2nc(-c3cc(C)n(C)c3C)cs2)cc1 32909462 LKOHYYZWDSOPSD-UHFFFAOYSA-N 341.480 4.429 0 40 EIAB O=C(/C=C/c1ccccc1OC(F)F)N1CC[C@H]1c1ccccc1 32926567 IMYUBAPAGJVVKB-OFAQMXQXSA-N 329.346 4.275 0 40 EIAB Cc1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCC2)c1 35310749 QOHOHNUNUKJMDQ-CTXDPNEZSA-N 341.499 4.445 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCc1nc2ccccc2s1 36063435 XEVYVWYAVJLYAF-UHFFFAOYSA-N 332.428 4.308 0 40 EIAB CC1CCN([C@H](CNC(=O)c2cccs2)c2cccs2)CC1 36310361 HUPNETLTZKOMDW-CQSZACIVSA-N 334.510 4.013 0 40 EIAB O=C1C[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc21 36708759 AMGKLPYSEUAFNH-LBPRGKRZSA-N 342.807 4.258 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(Cl)cc1Cl 41095264 FAGAWXMXNXBFOW-ZANVPECISA-N 336.284 4.159 0 40 EIAB Cc1nc(NCc2ccc([C@H](C)O)cc2)c2c3c(sc2n1)CCC3 53601853 DVZFPTTWPCJLHA-NSHDSACASA-N 339.464 4.154 0 40 EIAB COC[C@@H](C)c1nc(-c2ccc(CC[C@H](C)NC(C)=O)cc2)cs1 65495890 GTCWJPYXSCSJJM-KGLIPLIRSA-N 346.496 4.017 0 40 EIAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1nnc(C2CC2)o1 69570485 LNUWLEFXVFIKTA-UHFFFAOYSA-N 327.167 4.035 0 40 EIAB CCc1nc(CCNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)sc1C 69743002 DGVJHYIWVKUJHO-RYUDHWBXSA-N 348.434 4.041 0 40 EIAB Cc1ccccc1N(C(=O)C1CCN(CC(F)(F)F)CC1)C(C)C 71902884 CXOICHAMYWIECB-UHFFFAOYSA-N 342.405 4.011 0 40 EIAB CC1(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCCC1 71914440 CVIJKCRPDVCVOF-KRWDZBQOSA-N 335.875 4.192 0 40 EIAB CCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2-c2ccccc2)C1 80163618 ISMAMHKGOJUXSV-QGZVFWFLSA-N 337.467 4.159 0 40 EIAB O=C(CC1CCCC1)NCc1ccc([C@H](O)c2cccs2)s1 85562178 VFVARJZZLMOHOU-QGZVFWFLSA-N 335.494 4.088 0 40 EIAB C[S@@](=O)c1ccc(CN[C@H](c2cc3ccccc3o2)C2CC2)cc1 95409645 VSGRGLCDHKQWKL-RDPSFJRHSA-N 339.460 4.411 0 40 EIAB CC[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ncc(C)s1 95437382 OOHGZGZROIIFDX-GFCCVEGCSA-N 330.375 4.433 0 40 EIAB Cc1c(CN[C@H](c2ccc(Cl)cc2)c2cccs2)cnn1C 95439974 NAIHWNISPZYGTB-QGZVFWFLSA-N 331.872 4.323 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc2c(c1)N(CC)CC2 96415920 PLLQSYZPCKMUDQ-GOSISDBHSA-N 338.455 4.079 0 40 EIAB CC(C)c1ocnc1CSc1nnc2c(Cl)cc(Cl)cn12 96490189 OGNAGVBWVISKDF-UHFFFAOYSA-N 343.239 4.440 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@@H](c2cccs2)C1 102558261 JFNNVHXBXRIYSL-FZKQIMNGSA-N 348.431 4.405 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@@H](c2ccccc2)C1 102664526 XUZDIBCIARCKOC-UZLBHIALSA-N 342.402 4.343 0 40 EIAB Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 162767051 USNPXIQHTVQKOC-UHFFFAOYSA-N 337.206 4.187 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N[C@@H]1C[C@H]2CC[C@@H]1C2 223662648 TVDNGVGJHVCCBW-FIXISWKDSA-N 327.852 4.017 0 40 EIAB Cc1cccc(OCCNC(=O)COc2ccc3ccccc3c2)c1C 223963147 PHOYQZFTWSFPJO-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1ccc(OC)c(Cl)c1 225037514 LKSNCXIWEALNPJ-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1cccc(Cl)c1 225093448 YXVGEUCCBXFCHU-CQSZACIVSA-N 344.716 4.434 0 40 EIAB CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl 225197587 URRPTBBLPLUXIV-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB Cc1ncsc1C(=O)Nc1ccc(Br)c2cccnc12 225760361 JXLIJEDQBBEBGJ-UHFFFAOYSA-N 348.225 4.015 0 40 EIAB c1cncc(-c2ccc3c([C@@H]4CCCN4Cc4ccco4)ncn3c2)c1 306135273 OMIFSVVIHRKXFR-IBGZPJMESA-N 344.418 4.326 0 40 EIAB CC(C)(C)OC(=O)c1cccc(CNC(=O)OCc2ccccc2)c1 379425902 COLWBDRSFNFVGA-UHFFFAOYSA-N 341.407 4.068 0 40 EIAB O=C(O)[C@@H](c1ccsc1)N1CCC(c2c[nH]c3ccccc23)CC1 574458867 ZQPCRUHSXPDGFQ-GOSISDBHSA-N 340.448 4.235 0 40 EIAB O=S(=O)(c1cccc2ccccc12)N1CC[C@H](c2ccsc2)C1 675008314 QQZQRPANFNIXCV-HNNXBMFYSA-N 343.473 4.080 0 40 EIAB Cc1ccccc1[C@@H](CO)N(C)C(=O)c1ccc(-c2ccco2)s1 1615610881 PUYAZPRUGGRTHC-OAHLLOKOSA-N 341.432 4.122 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 150381 OTJHDYAOAZRQNN-LBPRGKRZSA-N 348.240 4.418 0 40 EIAB O=c1c(SCc2ccccc2)cc(Cl)nn1-c1ccccc1 385739 KJAUSFHPNUZGJC-UHFFFAOYSA-N 328.824 4.178 0 40 EIAB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=S 479209 AZLNHNIBTRWSMB-UVTDQMKNSA-N 346.839 4.068 0 40 EIAB Cc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccc(C)cc2-3)c1 482020 CNNBJRQWIRDJNO-UHFFFAOYSA-N 331.371 4.194 0 40 EIAB O=Cc1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12 573931 GQESYUBDMOUQIM-UHFFFAOYSA-N 328.371 4.246 0 40 EIAB COc1ccccc1[C@@H]1Nc2ccccc2[C@H](OC(C)=O)C1(C)C 576530 LLXWSMOOHBWXTE-OALUTQOASA-N 325.408 4.492 0 40 EIAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359685 DJROHJHWSBMWJV-OAHLLOKOSA-N 345.418 4.018 0 40 EIAB Cc1cccc(SC[C@H]2CSc3nc4ccccc4c(=O)n32)c1 1405450 QHBCBVHQJYZFAF-ZDUSSCGKSA-N 340.473 4.144 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2772467 OCPCFMBTDAOLEB-NSHDSACASA-N 344.263 4.341 0 40 EIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cccc(F)c1 2850014 FJVCLMSUOJKATD-VGOFMYFVSA-N 336.149 4.477 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl 3581196 RMVXRIIWTWSSGR-UHFFFAOYSA-N 330.236 4.357 0 40 EIAB Cc1c(C(=O)C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)c2ccccc2n1C 4062507 RVCJYDXUZIEUKO-ZFWWWQNUSA-N 340.467 4.000 0 40 EIAB CCCCN(C)C(=O)C1CCN(Cc2cccc3ccccc23)CC1 4552785 RGMOOYGFLBIHNM-UHFFFAOYSA-N 338.495 4.310 0 40 EIAB Cc1ccc([S@](=O)CCOc2ccc(Cl)cc2Cl)cc1 5218304 VDLISDFVIAMHSK-FQEVSTJZSA-N 329.248 4.488 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 5795187 TVBNSAHZEPWBMV-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Cc1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c(C(C)(C)C)c1 6008911 NGLDSLCGXAOBKG-KSZLIROESA-N 333.516 4.010 0 40 EIAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc2C1 6084852 BERSTKLDRUWUOL-LBPRGKRZSA-N 349.261 4.379 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7790333 OTEASTVTUATDTC-IVKJLDKCSA-N 345.508 4.261 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccccc2Br)N1C1CC1 7885895 RJSUXMLTAHOQEF-INIZCTEOSA-N 343.224 4.178 0 40 EIAB CCOC(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 8959966 MZDCXLDCLKIQHX-UHFFFAOYSA-N 348.443 4.053 0 40 EIAB Cc1nc(CSCCC(=O)NCc2ccc(Cl)cc2)cs1 9065583 PXPLWXDMKQJFKQ-UHFFFAOYSA-N 340.901 4.045 0 40 EIAB Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)O)cc1 11800083 XVVLCDDXBXYLES-RMKNXTFCSA-N 347.208 4.434 0 40 EIAB Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 12505778 QFHJKQGGANUREI-UHFFFAOYSA-N 326.265 4.354 0 40 EIAB CSc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12768832 ZZJDLMBKELLMPU-AWEZNQCLSA-N 337.448 4.085 0 40 EIAB CCc1cccc(NC(=O)Cc2nc(-c3cccs3)oc2C)c1 12817499 CXPNIJFKHSBOSR-UHFFFAOYSA-N 326.421 4.455 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccsc2)s1 13991334 YAAVWYXYNNLAHD-UHFFFAOYSA-N 331.510 4.407 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC1CCCCCC1 14269652 GBAOFMXVVKIFJY-UHFFFAOYSA-N 330.403 4.252 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1C 14398017 CXJANXMBUWIQQB-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB COC(=O)c1sccc1NC(=O)Cc1c(Cl)cccc1Cl 19299318 INRZNWJVYNVFGF-UHFFFAOYSA-N 344.219 4.023 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc(F)cc1 19927772 VEAGTHPEHGAVGE-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB O=C(Nc1nncs1)c1ccccc1-c1ccc(C(F)(F)F)cc1 21213933 XYQNOUXJOHUSSC-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccsc1 21935757 XNNYVBSQFAQFAL-UHFFFAOYSA-N 328.462 4.452 0 40 EIAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(Cl)cc1 22784020 RPYCPFOIXXUWJP-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(F)cc1 25372606 GWRLKCGDVRLDBU-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(OC)cc1 30862875 ADQCJYIOMRYRFQ-LJQANCHMSA-N 341.451 4.128 0 40 EIAB O=c1ccc2ccc(OCc3nc4ccccc4n3C(F)F)cc2o1 31640389 GWROTRJSVDJHSZ-UHFFFAOYSA-N 342.301 4.117 0 40 EIAB COc1ccc([C@H](O)[C@H](NCc2ccccc2)c2ccccc2)cc1 31961945 ZVOJPKQDEDCIGN-YADHBBJMSA-N 333.431 4.260 0 40 EIAB CC(C)OCc1ccc(CNC(=O)CCCc2ccccc2)cc1 40122250 FLOJMSJTYVMLAZ-UHFFFAOYSA-N 325.452 4.251 0 40 EIAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCO[C@H]2CCCC[C@H]21 40145741 IPVYZLOYBFPAAZ-KSAKHOBUSA-N 339.435 4.178 0 40 EIAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1F 41091276 ULFPMOSARSQEQT-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB O=C(c1ccc(CNc2nc3ccccc3o2)cc1)N1CCCCCC1 42107491 HMZZWSSTBFICNZ-UHFFFAOYSA-N 349.434 4.456 0 40 EIAB Nc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1 45891548 GWNJVAUCKCGXKQ-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB C[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccc(Cl)cc1 58341551 XSDQRLLQSNEEAW-CYBMUJFWSA-N 327.815 4.165 0 40 EIAB Cc1cc(C)n(Cc2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)n1 63450549 DVJJBITYWJODAH-KRWDZBQOSA-N 345.446 4.140 0 40 EIAB CC(C)Cc1nc(CN2CCC[C@@H]2Cc2ccccc2Cl)no1 64249444 JNCHFWZTMJTEOR-OAHLLOKOSA-N 333.863 4.129 0 40 EIAB Cc1cccc(-c2ccc(CNC(=O)c3cccnc3S)cc2)c1 71914188 IFNBKPVTGJZPJK-UHFFFAOYSA-N 334.444 4.276 0 40 EIAB CCSc1ccccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 88363283 FKPTXXCOKIZJKH-AWEZNQCLSA-N 330.457 4.281 0 40 EIAB COc1cccc(-n2ccnc2SCc2cnoc2C2CC2)c1 89471416 BNFMMMFJEFZYKV-UHFFFAOYSA-N 327.409 4.039 0 40 EIAB COc1ccc(CNc2ccc(C(=O)N3CCCC3)cc2)cc1Cl 95448510 XBIOPFQFSDRGIR-UHFFFAOYSA-N 344.842 4.197 0 40 EIAB Cc1ccc2c(-c3cc4c(CO)cnc(C)c4o3)cc(=O)oc2c1C 96113768 ICJRAGPLIULRJH-UHFFFAOYSA-N 335.359 4.019 0 40 EIAB biogenic COc1ccccc1[C@H]1CCN(Cc2nnc(-c3cccc(C)c3)o2)C1 96469701 ACFBIROFTOCISF-KRWDZBQOSA-N 349.434 4.043 0 40 EIAB CC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1C 103925405 ZYHCYGGAYWKPTD-QAPCUYQASA-N 342.508 4.243 0 40 EIAB COC(=O)c1cn(C(=O)CCc2ccc(Cl)cc2)c2ccccc12 222650061 SJPOKGGJYRIQEV-UHFFFAOYSA-N 341.794 4.354 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223464323 WCICPSHMGLYIMY-IRXDYDNUSA-N 341.451 4.265 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2cccc(C)c2C)cc1 223899381 QUNMNPTUUNTASW-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC(C)Sc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 225135075 XCSBDBYQWWKNDB-BQYQJAHWSA-N 339.873 4.344 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c(C)c1 225798963 QHTSSEXIRGHWKX-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225838283 KEMZCBYTQTYWCS-HNNXBMFYSA-N 333.350 4.248 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247471636 FOJUHJCWEZGNPR-DJIMGWMZSA-N 336.460 4.275 0 40 EIAB O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Cl 390830393 KULZWJHHVYFSIY-UHFFFAOYSA-N 347.823 4.079 0 40 EIAB CC(C)CNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 409410799 QDRPSOTVDVJIJI-UHFFFAOYSA-N 345.830 4.370 0 40 EIAB CC1(C)C[C@]1(NC(=O)Nc1cccc2c1COCC2)c1ccccc1 952994890 YMJRVSWBWOIBCR-NRFANRHFSA-N 336.435 4.206 0 40 EIAB S=c1nc2ccc(Cl)cc2c2n(-c3ccccc3)c(S)nn12 1889270404 DTXVFMJADFVLST-UHFFFAOYSA-N 344.852 4.345 0 40 EIAB Cc1ccc(OCC(=O)Oc2ccc(Br)c(C)c2)cc1 38522 BBQZPTWAMUQZCK-UHFFFAOYSA-N 335.197 4.050 0 40 EIAB COc1ccc(C(=O)Oc2ccccc2Cl)cc1Br 38618 KYVSAHJYRVJPBY-UHFFFAOYSA-N 341.588 4.330 0 40 EIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCC3)cc12 67113 VKDOYLBYHSWAQQ-UHFFFAOYSA-N 325.437 4.022 0 40 EIAB CCCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O 408769 SINMHVAKNAXDGA-UHFFFAOYSA-N 336.387 4.316 0 40 EIAB COc1cccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)c1 531927 NHEILUXZPKBHNZ-DLBZAZTESA-N 340.814 4.086 0 40 EIAB CC(C)=C[C@@H]1[C@@H](CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 549836 BGKRMYAOMQFLJM-QZTJIDSGSA-N 339.483 4.135 0 40 EIAB CN(C)C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2043272 RVEVXAOGITYJOC-QFIPXVFZSA-N 331.459 4.268 0 40 EIAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1 2340958 ZECRWYCOJPDLJM-UHFFFAOYSA-N 336.457 4.054 0 40 EIAB COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2760290 KJUGRQSYSIUZRJ-UHFFFAOYSA-N 342.192 4.451 0 40 EIAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccccc3F)cc2C1 3425142 QAFAEOVWALFZJX-LLVKDONJSA-N 332.396 4.052 0 40 EIAB O=c1[nH]c(-c2ccncc2)nc2scc(-c3ccc(Cl)cc3)c12 4649955 HLXGRTZLQMRQKQ-UHFFFAOYSA-N 339.807 4.367 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 6336854 IDVPVNPVSQSIRO-XUXNNNHQSA-N 333.859 4.192 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(OC(F)F)cc1 6969383 RRKGLJGGCNTHEE-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1sc(-c2ccccn2)nc1C 7808338 OQNXFRZBFXWFTN-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB Cc1csc(N(C(=O)c2cc(Cl)ccn2)c2ccccc2)n1 7989596 BBSDUKKCCOWBDS-UHFFFAOYSA-N 329.812 4.478 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)NCCc2nc3ccccc3[nH]2)cc1 8346173 ILZCLJAZVHAIJL-UHFFFAOYSA-N 349.478 4.152 0 40 EIAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1 8654809 YSFYAZLRBBJYQC-IBGZPJMESA-N 342.870 4.297 0 40 EIAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2F)s1 9358577 CZQBOGDWUBVAKR-CYBMUJFWSA-N 341.411 4.471 0 40 EIAB C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1 9453938 FDVDAJNEMJJENW-CYBMUJFWSA-N 333.370 4.128 0 40 EIAB CCNc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 9501623 ULUBJWYZMAMNCE-UHFFFAOYSA-N 329.450 4.098 0 40 EIAB COc1cccc(NC(=O)CNc2ccccc2-c2ccccc2)c1 11618623 YFHNVOVBQOUTDN-UHFFFAOYSA-N 332.403 4.413 0 40 EIAB O=C(CSCCc1ccccc1)Nc1ccc(F)c(F)c1F 12897988 DQNXZWRQZQICEB-UHFFFAOYSA-N 325.355 4.018 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12899605 BMFYQJFYZDKKFP-CXAGYDPISA-N 345.439 4.255 0 40 EIAB c1csc(CCNc2nc(-c3ccc4c(c3)OCO4)cs2)c1 14103813 KEHNREGVFUANSJ-UHFFFAOYSA-N 330.434 4.255 0 40 EIAB Cc1ccc(F)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1 14135236 SQSMEDUZEHIEGH-UHFFFAOYSA-N 333.231 4.011 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)n[nH]2)cc1 14266188 UHRXEHBLTUGNSN-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB O=C(CN1C(=O)c2cccc3cccc1c23)NC1CCCCCCC1 14737504 CNOFHIWHGFFALK-UHFFFAOYSA-N 336.435 4.029 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 15519720 NPZMWPXCUQNCKY-CABCVRRESA-N 329.465 4.096 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 15608809 PPUOYEAUSBTRFY-ZDUSSCGKSA-N 344.842 4.050 0 40 EIAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(C)cc1 22053859 STIZLOPMSTXWFZ-UHFFFAOYSA-N 347.418 4.263 0 40 EIAB COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)NCC2 23230347 SXEUGKGJVRBMOH-LJQANCHMSA-N 341.451 4.093 0 40 EIAB CN(C)c1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cn1 32276699 YPOMSAVZQXVOCZ-UHFFFAOYSA-N 332.359 4.266 0 40 EIAB Cc1cccc(/C=C(/C(=O)N2C[C@@H](C)O[C@H](C)C2)c2cccs2)c1 32906689 VWFJKGKGKSAAQE-JDPRVQSZSA-N 341.476 4.233 0 40 EIAB Cc1ccccc1Nc1c(-c2ccc3c(c2)OCO3)nc2cnccn12 35622701 PWBFKJXHQMEFIK-UHFFFAOYSA-N 344.374 4.177 0 40 EIAB CCc1ccc2oc(C(=O)N3CCOC34CCCCC4)c(C)c2c1 35671073 WKPLFKSGNAPUOG-UHFFFAOYSA-N 327.424 4.436 0 40 EIAB CSc1ccc([C@H](C)NC(=O)CCCc2nc(C(C)C)no2)cc1 40133764 HHRZZZWSEPZLSX-ZDUSSCGKSA-N 347.484 4.115 0 40 EIAB Cc1c(F)cccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478289 WFYVAPPUWZZGQN-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 44886205 ANLIDOVDIWNFRT-IFXJQAMLSA-N 345.414 4.259 0 40 EIAB O=Cc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 58537050 UKWCJXQYFWDGJS-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB Cc1ccc(N2C(=N)S/C(=C/c3ccc(F)cc3)C2=O)cc1C 59639058 PSEQOEQSACILBP-MSWOZKQMSA-N 326.396 4.498 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 60635454 XGBFHDBJFFYUSN-LLVKDONJSA-N 325.252 4.120 0 40 EIAB Cc1cccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1C 69394353 GGDBPPVUIPDJEB-UHFFFAOYSA-N 348.233 4.439 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)o1 70007488 UUGZGGXTGPPZTR-UHFFFAOYSA-N 340.404 4.083 0 40 EIAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H](C(F)(F)F)C1 71851765 UQBWLIWVQVUWST-GFCCVEGCSA-N 340.370 4.225 0 40 EIAB C[C@@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1nccs1 71879862 VVIPBFSMEUFMDO-CYBMUJFWSA-N 347.484 4.019 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](O)(C(C)(C)C)C(F)(F)F 72208725 KIDZDHFKDMCSRI-NHYWBVRUSA-N 339.398 4.116 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1N1CCCCC1 72219157 DNQPAQOVNAKFFV-KRWDZBQOSA-N 345.487 4.452 0 40 EIAB C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1c1nccs1 72291661 HOFPJNAFQMAWES-CJNGLKHVSA-N 332.444 4.215 0 40 EIAB c1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccncc3)n2)cc1 72357661 CVEBUJDHOBIECQ-QFIPXVFZSA-N 329.447 4.405 0 40 EIAB O=C(c1ccc2ccccc2n1)N1CCC(Sc2ccccn2)CC1 75148125 NCXHFUZRIVXKOW-UHFFFAOYSA-N 349.459 4.027 0 40 EIAB O[C@H](CNCc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1 84562769 MVPDOYUSASHPGB-OAQYLSRUSA-N 339.385 4.455 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2)nc1)c1c(F)cccc1Cl 85472007 XXQOSCRRNXSQAX-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB C[S@@](=O)c1ccc(CN[C@@H](c2cc3ccccc3o2)C2CC2)cc1 95409643 VSGRGLCDHKQWKL-YKSBVNFPSA-N 339.460 4.411 0 40 EIAB COC[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 95968162 CZPSIDRYUDOPTP-MEDUHNTESA-N 342.336 4.278 0 40 EIAB CC(C)N1CCC(Nc2cccc(CSC3CCOCC3)c2)CC1 97082138 GLSSOKPXIUEZSO-UHFFFAOYSA-N 348.556 4.384 0 40 EIAB CSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(O)CCCC1=N2 102672948 YLTOUEVCIROYIA-GFCCVEGCSA-N 332.454 4.041 0 40 EIAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1cc(-n2cccc2)ccc1Cl 170609907 NFXSKTFPTFBFTD-KFWWJZLASA-N 326.827 4.073 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1c(F)cccc1F 222581874 JEIHFQMTGLAVQH-UHFFFAOYSA-N 343.308 4.122 0 40 EIAB COc1ccc(CCC(=O)NCc2cccc3ccccc23)cc1C 222894559 HASGDEZSSWHHRW-UHFFFAOYSA-N 333.431 4.406 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Sc1ccccc1 223746875 XKKKSXLXZWAHDT-INIZCTEOSA-N 343.492 4.486 0 40 EIAB CCCOc1ccccc1CCCNC(=O)c1ccc(C)c(C)c1 225054296 IOLPJKLWDBQNNT-UHFFFAOYSA-N 325.452 4.455 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)c(C)c1 225599003 BQTGWXGKNXCZOT-KRWDZBQOSA-N 335.444 4.181 0 40 EIAB C[C@@H]1[C@@H](N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)CCC[C@H]1C 245377515 LXKVABORPCYYLX-VBHSOAQHSA-N 333.431 4.359 0 40 EIAB c1coc(CN2Cc3ccccc3[C@H](c3nccn3CC3CC3)C2)c1 306142982 XPSICGNPZHVJLL-HXUWFJFHSA-N 333.435 4.034 0 40 EIAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccccc1 409142409 KHIAXEPFFFHKFM-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)cc1 101439 IILROHFIMXIGGS-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB O=C(Nc1c(C(=O)O)oc2ccccc12)c1ccc(C(F)(F)F)cc1 105820 FWHZZAAMJICPRH-UHFFFAOYSA-N 349.264 4.402 0 40 EIAB CC(C)Oc1ccccc1/C=C1/N=C(c2cccc(Cl)c2)OC1=O 370582 NDSITYBSEGGFAE-LFIBNONCSA-N 341.794 4.472 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1 1403198 NJDMXAVKFDXKSS-UHFFFAOYSA-N 347.480 4.183 0 40 EIAB COc1cc(OC)cc(-c2nc(-c3cc(C)nc4ccccc34)no2)c1 1426594 YBBFLYJPZJNGGI-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB Cc1nc2c(c(NC(=O)c3ccccc3Cl)nn2C)c(C)c1Cl 1430832 SMCFRNBKMGHYOI-UHFFFAOYSA-N 349.221 4.144 0 40 EIAB NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 1509898 DOVIBCPHDNLZGU-HFRUMSELSA-N 331.419 4.362 0 40 EIAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc1ccc2c(c1)OCO2 1564822 QEFJURUMSHPMTC-KBPBESRZSA-N 326.392 4.201 0 40 EIAB biogenic,in-vitro CC[C@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 2110000 BEJITXVNDNZAGW-RTWAWAEBSA-N 343.467 4.294 0 40 EIAB biogenic Cn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccccc1 3310886 WYSHADPBDJGHQU-UHFFFAOYSA-N 345.855 4.307 0 40 EIAB CCCCCc1c(C)c2ccc(O[C@@H](CC)C(=O)O)cc2oc1=O 4109584 ANOQLUYMPCZOPM-INIZCTEOSA-N 332.396 4.076 0 40 EIAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1nc2ccccc2s1 4264230 YACXWXCCQLZIJU-UHFFFAOYSA-N 347.371 4.437 0 40 EIAB CC(C)COC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887765 HGGPSNUYMCSXLD-TYPHKJRUSA-N 336.431 4.342 0 40 EIAB Cc1occc1-c1nnc(SCc2c(F)cccc2Cl)n1C 4947994 YSSZMDAFTHVKEJ-UHFFFAOYSA-N 337.807 4.468 0 40 EIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1 5050035 MDASJWKUEPFJGV-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB CC(=O)OC[C@@]12CO[C@H](CCc3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 5375870 FVFIDPRIGRPKRH-RGBOINFLSA-N 342.479 4.416 0 40 EIAB biogenic CC(C)C(=O)NCCCc1nc2ccccc2n1[C@@H](C)c1ccccc1 5545960 SDZSWHQQNYNSQY-KRWDZBQOSA-N 349.478 4.350 0 40 EIAB OC([C@H](c1ccccc1)c1ccccn1)(C(F)(F)F)C(F)(F)F 5593625 MZKFAGUFRUEPCT-GFCCVEGCSA-N 335.247 4.069 0 40 EIAB CC(=O)Nc1cccc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 6305518 QKPMSZCIQZWNAN-UHFFFAOYSA-N 347.798 4.061 0 40 EIAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 7318966 OEZKKHSTGOOROK-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccc(OCCC(=O)Nc2ccc3nc(C)sc3c2)cc1 7670333 DUQYZDYROSTXLQ-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 7686045 VAWCEEVMOAYKEN-HSZRJFAPSA-N 345.442 4.452 0 40 EIAB CCOc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1OC 7975688 RBITULNYCVXAOI-UHFFFAOYSA-N 343.423 4.200 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 8040930 OKPUYNLKZUUGCR-MRXNPFEDSA-N 338.234 4.467 0 40 EIAB CC[C@]1(c2ccccc2)NC(=O)N([C@@H](C)c2ccccc2Cl)C1=O 8187403 WITLVFKLGVTDPQ-ORAYPTAESA-N 342.826 4.258 0 40 EIAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 8300457 VIGHBXUSXBPOTG-BULFRSBZSA-N 348.490 4.204 0 40 EIAB biogenic,in-vitro O=C(CSCc1c(F)cccc1Cl)N1CCc2ccccc21 10449013 WRSSGTTXJAQVJY-UHFFFAOYSA-N 335.831 4.302 0 40 EIAB C/C(=C\c1ccccc1)CN1C[C@@H]2CCC[C@H](C1)C2(O)c1cccnc1 12134981 LXQHXQXPIOJYKK-FPKWUIKMSA-N 348.490 4.105 0 40 EIAB CCc1ccc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 12515633 OAPDAZHWXBHXCF-LJQANCHMSA-N 335.407 4.337 0 40 EIAB C[C@H]1CN(C(=S)c2cccc(OCc3ccccc3)c2)C[C@@H](C)O1 13547745 TYTVRQLQVYJPEE-IYBDPMFKSA-N 341.476 4.050 0 40 EIAB CCC(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 13548615 BZSJXHGVNRWECR-UHFFFAOYSA-N 347.421 4.065 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(C)cs3)s2)cc1 13693659 KZKSNRDFXYTPEJ-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB CCc1c(C(=O)Nc2ccc(C(C)C)cc2)cnn1-c1ccccn1 19910854 PXGRLZAMWZSUDA-UHFFFAOYSA-N 334.423 4.205 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 20459287 MSXLQHDQXZQHCA-KXBFYZLASA-N 327.424 4.038 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2cc3cccc(OC)c3o2)cc1 20459726 DKTVKPGTUFDNLH-CYBMUJFWSA-N 339.391 4.331 0 40 EIAB Cc1nn(C)c2sc(C(=O)Nc3nc4c(C)cccc4s3)cc12 21304386 ZTEQMIXBIOEVOD-UHFFFAOYSA-N 342.449 4.114 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 24073675 UENJHFHOLOAUFD-UHFFFAOYSA-N 342.464 4.134 0 40 EIAB Cc1cccc(-n2ccnc2SCC(=O)c2ccccc2F)c1 26046252 DQCWAVGDVXKISL-UHFFFAOYSA-N 326.396 4.295 0 40 EIAB O=C(Nc1cc(-c2ccc(Br)cc2)no1)c1cccs1 27747308 ZOBRCVQGAKSIDD-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 27975302 FDHLNSCBTRLPCM-LBPRGKRZSA-N 345.826 4.243 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1cccs1 28795554 OEEHZDLCXVGWMX-QGZVFWFLSA-N 338.436 4.115 0 40 EIAB C[C@H](C1CC1)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 29841861 XWMSKZKMOZMBNV-CQSZACIVSA-N 344.405 4.204 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 30840591 CJVRIUAJBJOLPT-UZLBHIALSA-N 339.435 4.135 0 40 EIAB Cc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccoc1C 32611099 UAJKJXOWPMVEKB-UHFFFAOYSA-N 330.815 4.312 0 40 EIAB CC(C)c1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 32691409 NMIKFQZAVLXNEF-IBGZPJMESA-N 339.435 4.197 0 40 EIAB C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(Cl)s1 32817625 PYAXYHGPYGMSIK-ZCFIWIBFSA-N 334.622 4.248 0 40 EIAB CC[C@H](NC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)c1ccc(OC)cc1 32820321 PLQXICAWNYECQA-KSMMKXTCSA-N 339.435 4.461 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 36623091 CPQAQMUEZFEBPG-GFCCVEGCSA-N 347.842 4.411 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38849293 ZTQDZRSXUYUNCI-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB O=C(CCc1ccccc1)Nc1cc(N2CCCC2=O)ccc1Cl 40090703 SIODYIAQRFVNCS-UHFFFAOYSA-N 342.826 4.038 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)NCCc1ccc2ccccc2n1 40150180 RJKGWUMPGSYHJS-HNNXBMFYSA-N 336.460 4.074 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Nc3c(C)cccc3C)n2)cc1 41001915 WYHGCHHHIISNBL-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1F 44904224 DMPVLYKTNQFANJ-OAHLLOKOSA-N 325.742 4.414 0 40 EIAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1 48012745 XNPCIIPHPHAKII-MRXNPFEDSA-N 344.436 4.294 0 40 EIAB COc1ccc(C2(CNC(=O)CSC3CCCC3)CCCC2)cc1 49521458 SWGPDJHYSGBDNN-UHFFFAOYSA-N 347.524 4.299 0 40 EIAB Clc1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)cc1 52075628 SJGBLPLKJSWUNW-UHFFFAOYSA-N 329.787 4.148 0 40 EIAB CC(=O)Nc1nc(CSc2ncc(-c3ccccc3)o2)cs1 58329365 PQSWQVROFIYZDD-UHFFFAOYSA-N 331.422 4.049 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 58666280 DNEDLOKYZYBRJD-UHFFFAOYSA-N 325.408 4.334 0 40 EIAB COc1ccc(CN(C)C(=O)COc2cc(C)ccc2C(C)C)cc1 58969891 UAARMIHSCNXBCO-UHFFFAOYSA-N 341.451 4.164 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)s1 66445435 FMWLSUULJZSFAB-AWEZNQCLSA-N 327.409 4.037 0 40 EIAB Cc1noc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 69896696 OXMQNANECFBJID-HXUWFJFHSA-N 347.418 4.034 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 70051762 GXUKNOHRHQSXGF-LBPRGKRZSA-N 334.366 4.036 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 71280796 IEXOYBQWBNUACF-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB CC[C@@H](C)Nc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72213465 IVFQGCDUVYLWKW-CQSZACIVSA-N 349.475 4.170 0 40 EIAB Cc1cc(C)cc(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)c1 82086937 DCFBUONHNVOWJD-QGZVFWFLSA-N 338.451 4.216 0 40 EIAB Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 84225445 AVTOQKCDIIRURG-VQTJNVASSA-N 343.442 4.019 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)c2cccs2)c2cccc(F)c2n1 95427506 FIMAHUWOQXQXPW-LBPRGKRZSA-N 344.411 4.000 0 40 EIAB O=C(c1ccc(NCc2ccccc2F)nc1)N1CCc2ccccc21 95958745 NGKNHGVILBWLNU-UHFFFAOYSA-N 347.393 4.036 0 40 EIAB O=C(/C=C/c1ccoc1)N(CCc1cccs1)Cc1ccco1 96120281 HQTGWACPYZHNRL-AATRIKPKSA-N 327.405 4.219 0 40 EIAB C[C@@H](N[C@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 96478561 LMXZPOPDEIHEAL-ACJLOTCBSA-N 341.480 4.072 0 40 EIAB C[C@H](Cn1cccn1)N[C@@H]1CCCOc2c1ccc(Cl)c2Cl 97162452 NTNPVXVTTRAYEL-BXUZGUMPSA-N 340.254 4.082 0 40 EIAB CCOc1cc(/C=C/C(=O)OC)ccc1OCc1ccc(C)cc1 216943625 ISKYYVJZYBPOAX-ZRDIBKRKSA-N 326.392 4.159 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219288373 MWKRBSBUMOYTTO-RDJZCZTQSA-N 339.435 4.181 0 40 EIAB O=C(COc1ccccc1Cl)NCc1ccc2ccccc2c1 222786453 QFBDFFXBKHJBRR-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc2ccccc2c1 222801591 PBOXEQGHEQFINW-LJQANCHMSA-N 337.394 4.453 0 40 EIAB COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1Cl 222818156 OACJVNHUSZRKQR-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 223019937 WQIQVTUZSIHLPR-HNNXBMFYSA-N 339.435 4.370 0 40 EIAB COC[C@@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1Cl 225598497 CZLJCFBAINTOPL-GFCCVEGCSA-N 325.836 4.273 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)cc1C 225609034 DSOGVGMYYFMYLD-GOSISDBHSA-N 335.444 4.181 0 40 EIAB Fc1ccccc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 225835600 LRITVARCSSQARE-UHFFFAOYSA-N 328.334 4.331 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2ccc(N)cc2C)cc1Cl 227157316 YWBXVYKRHVJHKR-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@@H]3[C@@H]12 257173269 IBROMFNXVVTFTM-AYWYSENESA-N 348.446 4.426 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 408623117 CWVHZUZNZKYFIM-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 408708273 XBVSPCKPFJVQMP-UHFFFAOYSA-N 348.462 4.184 0 40 EIAB Cc1cc(F)ccc1-c1ccc(CN2CCC(c3cnc[nH]3)CC2)o1 537626062 FSLYEQJGOCYLOH-UHFFFAOYSA-N 339.414 4.497 0 40 EIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 548117328 NJPZEOCQVWAUEJ-UGSOOPFHSA-N 325.456 4.056 0 40 EIAB Cc1ccc2sc(C(=O)N3CC[C@]4(CCCOC4)C3)c(C)c2c1 606446286 OKXKUWMJXVCIJH-LJQANCHMSA-N 329.465 4.161 0 40 EIAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1ccccc1Cl 618256755 WNTQCJVOKURCIR-INIZCTEOSA-N 335.856 4.299 0 40 EIAB Cc1cn(-c2cccnc2)nc1NC(=O)N1CCC[C@]1(C)CC(C)C 1615627631 QPRJZWODVMGZJA-LJQANCHMSA-N 341.459 4.008 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1 539727 XZALIXSEDICSQV-GFCCVEGCSA-N 343.448 4.302 0 40 EIAB COc1ccccc1-n1cnc2cc(NCc3ccncc3)ccc21 2223889 WECPRTPRLFRUFR-UHFFFAOYSA-N 330.391 4.041 0 40 EIAB O=C(Nc1ccccc1)O[C@@H]1[C@H]2CC[C@@H]1[C@H](N1CCCCC1)CC2 4020914 WALSPJVXZJWMIB-JCHJZTRSSA-N 328.456 4.278 0 40 EIAB CCCCCOc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4107291 UQTNJWIHOOGIEM-UHFFFAOYSA-N 341.367 4.151 0 40 EIAB CON(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 4290499 WYDKNFJQDWCDAA-UHFFFAOYSA-N 335.201 4.045 0 40 EIAB COc1ccccc1/C=C/c1nn2c(-c3ccccc3)nnc2s1 4361468 XBGRSPJCSDBLLR-VAWYXSNFSA-N 334.404 4.032 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc3c(OC)cccc3[nH]2)cc1 5347474 ZVRFHILOIZZIRX-UHFFFAOYSA-N 337.423 4.275 0 40 EIAB COc1ccccc1NC(=O)COc1ccccc1-c1ccccc1 5558457 WEQCTWHEGHFOJZ-UHFFFAOYSA-N 333.387 4.380 0 40 EIAB CCOc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6155598 WSOYRFHPKJQNTM-VMPITWQZSA-N 325.452 4.184 0 40 EIAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc(F)cc1 6506031 AQNGOMFTJOUCDS-UHFFFAOYSA-N 337.354 4.007 0 40 EIAB O=C(CSCc1ccccc1Cl)Nc1ccc(F)cc1F 7094258 CHNXKAHZXZVCMB-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1cccc2ccccc12 7099053 QXNUYMQYCAMVGJ-LDADJPATSA-N 346.411 4.471 0 40 EIAB Cc1cc(Br)ccc1NC(=S)NC1CCCCC1 7584192 SYPGGKNCNIXOJT-UHFFFAOYSA-N 327.291 4.377 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC 8040802 XJUISJHLOFITCX-INIZCTEOSA-N 333.815 4.453 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 8304165 LOPGYGDYMJOCHH-CQSZACIVSA-N 333.884 4.488 0 40 EIAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3cccc(F)c3)ccc21 9137588 AWEXMYKNDQZKMT-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB O=C(CSc1ccccc1)NCCOc1ccc2ccccc2c1 10993488 VKLQCJOJUPSBRE-UHFFFAOYSA-N 337.444 4.127 0 40 EIAB c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)nc1 12555150 YBGRPIVTZVJOEF-VQIMIIECSA-N 333.416 4.385 0 40 EIAB CCC(CC)c1nnc(NC(=O)c2ccc(F)cc2Cl)s1 12736496 MYAGBQQVZLTGQN-UHFFFAOYSA-N 327.812 4.487 0 40 EIAB Cc1cccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 12860340 KZJFPWCKNFVSSQ-UHFFFAOYSA-N 334.423 4.119 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709534 ZUJPBQWDVXWRLC-INIZCTEOSA-N 349.430 4.274 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)CCc1ccccc1 13847377 AJLKPGVIAZYLOI-QAPCUYQASA-N 329.415 4.121 0 40 EIAB COc1ccc(C(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 13999063 VUAKFROCNIPNSI-UHFFFAOYSA-N 342.445 4.090 0 40 EIAB c1c[nH]c(-c2nnc(SCc3cc(-c4cccs4)on3)o2)c1 14094554 XOHAASWGQXMCLK-UHFFFAOYSA-N 330.394 4.074 0 40 EIAB O=C(CCc1cccs1)Nc1ccc(OCC(F)(F)F)cc1 14183754 GCRWUCHHUUVWLH-UHFFFAOYSA-N 329.343 4.261 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)no2)cc1 15669821 JQEOKSTZQAWNME-UHFFFAOYSA-N 327.311 4.099 0 40 EIAB CN(Cc1ccccc1)Cc1c(C2CCOCC2)[nH]c2cccnc12 19586531 ANZQHVKPTFIQSS-UHFFFAOYSA-N 335.451 4.089 0 40 EIAB CCc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 20034143 PBUJNHUYFHJIJS-UHFFFAOYSA-N 344.440 4.272 0 40 EIAB CCc1ccc(OC(=O)CSc2nnc(-c3cccs3)o2)cc1 20899687 CHRYVIREQUSKKI-UHFFFAOYSA-N 346.433 4.058 0 40 EIAB CC(=O)Oc1ccc(-c2ccnc3c(-c4ccccc4)c(C)nn23)cc1 22607308 DXDGPLSTOGWIFO-UHFFFAOYSA-N 343.386 4.297 0 40 EIAB CN(C)CCN(Cc1cccs1)Cc1c(F)cccc1Cl 23247841 VNNRYMDMYYOSCX-UHFFFAOYSA-N 326.868 4.104 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(OC)cc1 23649754 HGDRWPKYMYRBCS-SCLBCKFNSA-N 347.842 4.383 0 40 EIAB CC(=O)c1ccc(N2CCN([C@H](C)c3ccc(F)cc3)CC2)c(F)c1 23703075 JBXFAAPVPBGOAM-CQSZACIVSA-N 344.405 4.051 0 40 EIAB O=c1[nH]c2ccc(-c3csc(Nc4cccc(Cl)c4)n3)cc2[nH]1 24955171 CQJJJENHIABCGP-UHFFFAOYSA-N 342.811 4.377 0 40 EIAB CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)N(C)C 24975636 YNDQGUFZCXJSDM-LBPRGKRZSA-N 332.275 4.091 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N1CCC(Cc2ccccc2)CC1 27580793 KFVOSLXDSAEJQC-UHFFFAOYSA-N 346.430 4.437 0 40 EIAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 27980406 CRNZUZAPBOSTJL-UHFFFAOYSA-N 336.391 4.259 0 40 EIAB Cc1ccc2nc(NC(=O)c3ccc(CN4CCCC4)o3)sc2c1 28231500 LKTPGZPGHMJAIC-UHFFFAOYSA-N 341.436 4.046 0 40 EIAB Cc1cccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)c1C 30585686 XVNMRKAVVHQTBV-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB CCOc1ccc([C@H](O)CN(CC)Cc2ccccc2)cc1Cl 31911889 AZNBGNBPRGNVJY-GOSISDBHSA-N 333.859 4.294 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)C1(c2ccc(F)cc2)CCCC1 32722331 LZQJTTLYUKTRSR-SFHVURJKSA-N 339.410 4.278 0 40 EIAB C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(F)c(F)c1 32845194 WMKAMUUEYFHRRJ-NXEZZACHSA-N 340.320 4.364 0 40 EIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 36422895 SLODIKZFXFILEX-PYNNRZRQSA-N 332.484 4.341 0 40 EIAB biogenic O=C(Nc1ccccc1)N1CCc2c3n(c4ccccc24)C(=O)CC[C@@H]31 36559112 PPMHYNFDZVOBFT-SFHVURJKSA-N 345.402 4.207 0 40 EIAB biogenic CCCOc1cc(C)ccc1NC(=O)N1CCC(N(CC)CC)CC1 40151783 QUIVAIWEMCBKLW-UHFFFAOYSA-N 347.503 4.122 0 40 EIAB CCC(C)(C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 42212291 IRDHZCGTJSDJJQ-UHFFFAOYSA-N 342.487 4.291 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1cccc(C)c1 44885044 OAGADSUYUPWBDP-HXUWFJFHSA-N 325.452 4.210 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1cccs1 44903365 KKABXTJFQCYAQB-GFCCVEGCSA-N 338.388 4.361 0 40 EIAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 57369628 GSANSHMHDXCJMM-OXQOHEQNSA-N 334.463 4.022 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)Nc3cccc(F)c3)co2)cc1 58310018 RGNZXYMBLYNCER-UHFFFAOYSA-N 339.370 4.153 0 40 EIAB O=C(C[C@H]1C=CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 60369741 QHFRKFBANUQGIP-DOTOQJQBSA-N 337.423 4.147 0 40 EIAB O=C(N[C@@H]1CCC[C@H]1n1ccnc1)c1sc2ccccc2c1Cl 71843164 IXLHSRJQJJHWTA-CHWSQXEVSA-N 345.855 4.275 0 40 EIAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72354174 NFLGWOBOLHIRAO-HXUWFJFHSA-N 346.478 4.084 0 40 EIAB Clc1ccc(-c2cnc(COc3ccc4cn[nH]c4c3)o2)cc1 75094579 XJBSKWCOMWOINY-UHFFFAOYSA-N 325.755 4.450 0 40 EIAB Cn1nc(C(F)(F)F)c(CN2CCC[C@H]2C2CCCC2)c1Cl 96006925 SVKLNUQBMASCTP-LBPRGKRZSA-N 335.801 4.247 0 40 EIAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2cccs2)s1 96024509 YGXGXTZWKXMQOB-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB CO[C@](C)(CNC(=O)CCc1ccccc1F)c1cccc(Cl)c1 96392746 HOVHYWFKXLFGLJ-LJQANCHMSA-N 349.833 4.090 0 40 EIAB COc1ccnc(N[C@@H](C)c2sc(-c3cccnc3)nc2C)c1 97038797 QKVIEWATRIOBRO-NSHDSACASA-N 326.425 4.090 0 40 EIAB O=C(Nc1ccccc1-c1ccncc1)N1CCCC[C@H]1c1cn[nH]c1 97375011 GVCIFLPVIBYHJN-IBGZPJMESA-N 347.422 4.231 0 40 EIAB CC1(CNc2ccc(NC(=O)N3CCCCCC3)cc2)CCOCC1 97375203 YPAUANKESCVIDR-UHFFFAOYSA-N 345.487 4.323 0 40 EIAB CCN1C(=O)[C@H](Cc2ccc(F)cc2)c2cc(Br)ccc21 101014152 KTIFFCULLFLBAR-OAHLLOKOSA-N 348.215 4.281 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102600997 KRBRJHDNAYUDKD-FPXQBCRKSA-N 329.484 4.304 0 40 EIAB CO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1Cl 206855509 MOPBRYWKHUABQN-KRWDZBQOSA-N 332.831 4.466 0 40 EIAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)Nc1ccccc1 207973228 NHIMIDICWXCKAG-GOSISDBHSA-N 338.432 4.152 0 40 EIAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@H](c2ccccc2)CC1 208039188 CCIYZGLUMGWPQL-IBGZPJMESA-N 336.460 4.488 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1cc(C)cc(C)c1 224189213 PMEHDUDVRYOXSG-UHFFFAOYSA-N 327.424 4.029 0 40 EIAB O=C(CCCOc1ccccc1)NCc1cccc(C(F)(F)F)c1 224748476 YASNZMYDVJFSOB-UHFFFAOYSA-N 337.341 4.181 0 40 EIAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 227106202 TZNNMVQSRRNHMJ-STEAMIEHSA-N 335.403 4.039 0 40 EIAB C[C@H]1c2ccsc2CCN1Cc1cccc(OC[C@H]2CCCO2)c1 253588988 DJCFMTRMFOSGIU-MAUKXSAKSA-N 343.492 4.425 0 40 EIAB c1cnc2ccc(CN3CCCC[C@H]3c3ccn4ccnc4n3)cc2c1 257268225 MKTJJRKGMULBHG-FQEVSTJZSA-N 343.434 4.005 0 40 EIAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C 408588929 XGCIUVGTBSSGLW-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB O=C(NCc1ccc(F)cc1)NCc1ccc(-c2ccsc2)o1 575610885 QSWXBDLQMFUHRL-UHFFFAOYSA-N 330.384 4.147 0 40 EIAB CC(C)Cc1ccc([C@H](C)C(=O)N2CCO[C@@H](C3CCC3)C2)cc1 622700758 UUHLCLSEFOIYCI-OXJNMPFZSA-N 329.484 4.016 0 40 EIAB CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccsc1 1565519368 PEGGECAEEFVGAE-UHFFFAOYSA-N 327.371 4.475 0 40 EIAB CCOC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 365611 QRRLKWBUROOTFJ-DHZHZOJOSA-N 329.783 4.169 0 40 EIAB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 1388508 AKNHQYQOHSFFOD-INIZCTEOSA-N 327.815 4.343 0 40 EIAB COc1cc2c(cc1OC)Sc1cc(OC)c(OC)cc1S2 2141680 JAEJQQGDBQVUAP-UHFFFAOYSA-N 336.434 4.337 0 40 EIAB biogenic COc1ccc(OC)c(-c2csc(NC(=O)CC(C)(C)C)n2)c1 2653159 DOXKULISCKKJSJ-UHFFFAOYSA-N 334.441 4.202 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 3087186 KFVIADQVHIZTCC-UHFFFAOYSA-N 343.382 4.373 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3262219 BGSITNKISLFHFD-UHFFFAOYSA-N 345.826 4.188 0 40 EIAB COc1ccc(-c2nnc3ccc(SCc4ccccc4)nn23)cc1 4164991 YQZQZWAPNRTPIQ-UHFFFAOYSA-N 348.431 4.092 0 40 EIAB CC[C@@]1(O)CCC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4683799 XFKKWOBQJWQESO-FYHHWMQRSA-N 346.511 4.308 0 40 EIAB COCc1c(C(=O)OCc2ccc(OC)c(F)c2)oc2ccccc12 5199763 KNYVPAVOJQNWFG-UHFFFAOYSA-N 344.338 4.084 0 40 EIAB O=c1oc2ccccc2cc1C1=NO[C@@H](c2ccccc2Cl)C1 5604922 IEWYKBNGIYOQKZ-QGZVFWFLSA-N 325.751 4.312 0 40 EIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCCCCC1 6284229 PGZQQXAMZCXUBU-GFCCVEGCSA-N 340.261 4.055 0 40 EIAB O=C1CCc2cc(-c3csc(NNc4ccccc4)n3)ccc2N1 7273779 SMSUVEOGJKGFQT-UHFFFAOYSA-N 336.420 4.134 0 40 EIAB C[C@H](NC(=O)CN1CCc2ccccc21)c1ccc2ccccc2c1 7600818 ZMYQMDBELOOCQO-INIZCTEOSA-N 330.431 4.080 0 40 EIAB CCCc1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn12 8392244 LTNWVZJNIMZQSX-UHFFFAOYSA-N 334.448 4.396 0 40 EIAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 12274763 AJHIXOSLPCJWMN-FQEVSTJZSA-N 346.386 4.209 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3F)cc2)cs1 12979486 YSOQAXLMRZJDFI-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 13649674 IRHQJWRGJHZLQW-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(C)cc1Cl 13939139 DHMDGKIRIOKBSC-UHFFFAOYSA-N 331.909 4.450 0 40 EIAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(F)c1 14254983 XSYKRJFLZYZRKN-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cn1nc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2cccnc21 19289490 VUKJLVVBLSTSDE-OAHLLOKOSA-N 340.858 4.001 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1 20036531 BXMAQVSDEWDWEB-SFHVURJKSA-N 347.455 4.033 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 20344974 DXCVLICWWVQFNQ-JTQLQIEISA-N 339.222 4.290 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C)cc1 20487075 GXPRCYBHHANCFO-FQEVSTJZSA-N 325.452 4.210 0 40 EIAB CC[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(OC)cc1 21836844 QDHNZYFARAEJNS-HNNXBMFYSA-N 326.421 4.186 0 40 EIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NC1CCCCC1 22237623 PNAFMVYYHNQOQQ-UHFFFAOYSA-N 329.469 4.282 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1cccc(C)c1 23530168 NBBVZCWQUSZJTP-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB CCc1sc(-c2nnc(CN3CCc4ccccc4C3)o2)cc1C 24601583 VFSSGGZFLDUDIN-UHFFFAOYSA-N 339.464 4.227 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 24965258 FGBBPNSQPGFCQO-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)OC3CCCCC3)c(=O)oc2c1 27445886 FODJRUDOCLKWRM-UHFFFAOYSA-N 328.408 4.218 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)cc1 28238538 RDJHWCZAXDEIGD-LLVKDONJSA-N 339.361 4.048 0 40 EIAB Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1 35616188 PEGDOLMMQPKPJL-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB CN(C)CCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 36613645 JGUSSURDFRFIEX-UHFFFAOYSA-N 340.805 4.098 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccnc1SC(C)C 40120109 OXMYAVKFFKJAQP-CQSZACIVSA-N 344.480 4.390 0 40 EIAB CC(=O)c1ccc(C)cc1OC(=O)c1ccc(N2CCC(C)=N2)cc1 40156537 CQGYMQRTZGOKLA-UHFFFAOYSA-N 336.391 4.003 0 40 EIAB O=c1[nH]c(COc2ccccc2)nc2scc(-c3ccccc3)c12 41864303 WGVGPUBHYVRJDH-UHFFFAOYSA-N 334.400 4.231 0 40 EIAB CCC(=O)Nc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1 42105018 QYCOAOWYJBILSZ-JTQLQIEISA-N 338.333 4.017 0 40 EIAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2cccc(Cl)c2)c1 47711094 MNCJYCNXJHGVSH-UHFFFAOYSA-N 347.802 4.182 0 40 EIAB Cc1nn(C)c2c1[C@H](c1cccc(OCC(C)C)c1)SCC(O)=N2 49545484 PMIPEYBANAXELX-KRWDZBQOSA-N 345.468 4.188 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccs2)n[nH]1 51315682 AFSWKLFMMUPLCN-UHFFFAOYSA-N 333.800 4.053 0 40 EIAB Cc1cccc(N(C)C(=O)Cc2csc(-c3ccccn3)n2)c1C 55896979 QPCHYCHWQDDAKR-UHFFFAOYSA-N 337.448 4.027 0 40 EIAB O=C(NCc1ccncc1)Nc1ccc(Cl)cc1C(F)(F)F 56651330 MITIBRAWSDRYCT-UHFFFAOYSA-N 329.709 4.076 0 40 EIAB Cc1nc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cs1 56853395 DFPYCWVGVSWRDI-VIFPVBQESA-N 343.374 4.031 0 40 EIAB O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 58325109 MKOIRZZJRJZYCY-ROUUACIJSA-N 326.827 4.030 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc(F)c1 59344103 CQLYNYVRJRXQHN-UHFFFAOYSA-N 340.398 4.141 0 40 EIAB C[C@@H](NCc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 66970945 WLUBVHRPLWFWSX-GFCCVEGCSA-N 331.366 4.026 0 40 EIAB FC(F)(F)c1cnc(N2CCN(CC3CCCC3)CC2)c(Cl)c1 72282577 DHGMRIUJHROZIC-UHFFFAOYSA-N 347.812 4.066 0 40 EIAB CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C)C1 72305257 CLZCHNXWRMROKB-HUUCEWRRSA-N 340.920 4.193 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc2[nH]ccc12 72403590 JAMJHQFMTYGEAL-UHFFFAOYSA-N 344.418 4.152 0 40 EIAB O=C(Nc1nc(-c2ccccc2)ns1)c1cccc(F)c1Cl 79702223 NEAIKYUZZCERSV-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC(=O)N[C@@H](CC(=O)NCC1CCCCCCC1)c1ccc(C)cc1 84148679 ARNMIXCEPWDECS-FQEVSTJZSA-N 344.499 4.039 0 40 EIAB CCn1c([C@H]2CCCN2c2cc(C)nc(C3CC3)n2)nc2ccccc21 88736489 PHQJQYHIXHHJIT-GOSISDBHSA-N 347.466 4.374 0 40 EIAB O[C@@H]1CCCC[C@H]1Sc1nc(C(F)(F)F)nc2ccccc12 89866709 GXNHPMSUEAXYTG-VXGBXAGGSA-N 328.359 4.044 0 40 EIAB CCSc1ccccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 95413275 HTQJEYYZOXTZIP-GXTWGEPZSA-N 334.441 4.025 0 40 EIAB COc1ccc(-c2nnc(CNc3ccccc3SC)o2)cc1 95414812 NLUJNZQUUPKMDI-UHFFFAOYSA-N 327.409 4.079 0 40 EIAB Cc1ccc2oc(CNc3ccccc3CN3C(=O)CCC3=O)cc2c1 95428597 LWPSCEUJXTXYJC-UHFFFAOYSA-N 348.402 4.002 0 40 EIAB COc1ccc2c(c1)CN(C(=O)CC(C)(C)c1ccc(C)cc1)CC2 95954867 DMKCYSOQNQUWBR-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB C[C@H]1C[C@H](NC[C@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 95968960 FPMPWQIDAVKXIY-OZVIIMIRSA-N 344.505 4.389 0 40 EIAB CC[C@@H](C(=O)NCCc1cscn1)c1cccc(C(F)(F)F)c1 96460424 VKMLLQRSUAYTLW-CQSZACIVSA-N 342.386 4.014 0 40 EIAB CC(C)(C)C(=O)N1CCC(CNc2ccc(F)c(Cl)c2)CC1 97164977 CYJJHYYMNZJWPL-UHFFFAOYSA-N 326.843 4.176 0 40 EIAB CC(=O)c1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 104544784 MIMVHMHMJOXXIT-IJXDTGRPSA-N 325.452 4.368 0 40 EIAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1cccc(F)c1 216829190 ZJFICRSAPJDZMQ-UHFFFAOYSA-N 338.762 4.243 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccccc2C(C)(C)C)cc1 222797364 DMSTVCGZEFDXSO-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1C 224255666 TXEOJZUMHPOVNC-RBUKOAKNSA-N 349.459 4.469 0 40 EIAB CCc1ccc(CC)c(CNC(=O)c2cc3cccc(OC)c3o2)c1 224953990 XFQFWPLAODLMMO-UHFFFAOYSA-N 337.419 4.496 0 40 EIAB COc1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1 225586813 GLJGQRXCGYVQRO-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(Br)c1 225619546 BBMXBTDQVCKZPR-AWEZNQCLSA-N 346.268 4.129 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)[C@H]3CC=CCC3)CCCC2)s1 225682395 JTWQXJOTPKTTAY-GJZGRUSLSA-N 333.497 4.086 0 40 EIAB CCOc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225774703 FYMTTYVVWAZVFT-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CNc1cc([C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)ccn1 257231263 GFYZTGKRUZBZNB-QGZVFWFLSA-N 343.858 4.073 0 40 EIAB COc1cc(NC(=O)Nc2ccccc2SC)cc(OC)c1OC 390834425 YOXHQMYBVUIETN-UHFFFAOYSA-N 348.424 4.078 0 40 EIAB CCCCOc1ccc([C@H](C)Nc2cn(C)nc2CC)cc1OC 538582778 OJMJSADQNHISAD-AWEZNQCLSA-N 331.460 4.343 0 40 EIAB O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1ccsc1 1539275860 YVUXIXXDQMXKCK-UHFFFAOYSA-N 336.388 4.326 0 40 EIAB Cc1noc(C)c1CSc1nnc2scc(-c3ccccc3)n12 211013 WJBUHJLXIFDVAR-UHFFFAOYSA-N 342.449 4.355 0 40 EIAB CCOC(=O)c1oc2ccc(OC)cc2c1CSc1ccccn1 375938 RXVLZEXXWVDBFY-UHFFFAOYSA-N 343.404 4.305 0 40 EIAB CCn1c(CNc2ccc(F)cc2)nnc1SCc1ccccc1 421575 MWCLCCDPVFUOHF-UHFFFAOYSA-N 342.443 4.342 0 40 EIAB COc1ccc(/C=C2/N=C(S)N(c3ccc(Cl)cc3)C2=O)cc1 1401741 ZMVRRPONISZCSL-XNTDXEJSSA-N 344.823 4.022 0 40 EIAB CNc1nc2ccccc2c2nnc(-c3ccc(Cl)c(Cl)c3)n12 3063677 QWOREYAWFYSPJY-UHFFFAOYSA-N 344.205 4.293 0 40 EIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 3259771 BPRLBVVDVQSPKM-UHFFFAOYSA-N 339.288 4.446 0 40 EIAB CSc1ncccc1C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 3333498 YQLWZIIVZLZOEO-CQSZACIVSA-N 328.481 4.493 0 40 EIAB O=c1c(Cl)c(NCc2cccc(Cl)c2)cnn1-c1ccccc1 3422169 DNQZDGGNFZTOEA-UHFFFAOYSA-N 346.217 4.151 0 40 EIAB CCC(CC)c1nnc(NC(=O)c2ccc3ncsc3c2)s1 3430577 GYHRRVMGVZKSRH-UHFFFAOYSA-N 332.454 4.304 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCN=C1SCc1cccc(F)c1 4119875 XQBGCLPGTGKODR-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB c1coc(-c2nnc(SCc3coc(-c4cccs4)n3)o2)c1 4828300 UAINQOORPSBCOM-UHFFFAOYSA-N 331.378 4.338 0 40 EIAB CCSCCc1nnc2c3ccccc3c(-c3ccccc3)nn12 5245792 BCXCLSAPRJMTFY-UHFFFAOYSA-N 334.448 4.240 0 40 EIAB O=C(Nc1nccs1)c1cccnc1-c1nc2ccccc2s1 5428824 UJSNJMRUGBAPGO-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 5519882 IURJXDRUVNGNGB-KFNVQHRESA-N 332.484 4.101 0 40 EIAB Cc1ccc(C)c2sc(NC(=O)c3ccc4nsnc4c3)nc12 8072109 ANCZMTLMDSCOKV-UHFFFAOYSA-N 340.433 4.170 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc2ccccc2[nH]1 11213805 AJOCKAROIOASND-UHFFFAOYSA-N 345.358 4.266 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2onc3c2CCCC3)c1 11917442 VXNVRBINIJVCOE-UHFFFAOYSA-N 328.412 4.003 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)Nc3cccc(F)c3)c(=O)oc2c1 12936865 QPKWTAVMWDXNMD-UHFFFAOYSA-N 339.366 4.120 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C 12943514 BRKOHWJCEORYSN-GOSISDBHSA-N 337.419 4.052 0 40 EIAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(OC)cc1 13932718 GKOMHTZXLKYRTB-ZDUSSCGKSA-N 330.453 4.142 0 40 EIAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccccc2)n1C 14085636 VWDFZLPTMYKZAO-AWEZNQCLSA-N 337.448 4.154 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccccc1 14400080 NEVQFNBMYARLAB-MRXNPFEDSA-N 325.452 4.110 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 14428685 KDARQEGHHMLZGQ-UHFFFAOYSA-N 338.238 4.487 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 17167224 DAVGZAUEUBWRAH-ZIAGYGMSSA-N 342.464 4.119 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccccc1 18214440 KKLQWMZYIRINSP-CYBMUJFWSA-N 335.856 4.016 0 40 EIAB O=C(Cc1ccccc1Cl)NCCSc1ccc(Cl)cc1 20014244 VNQXFBMJUDWANF-UHFFFAOYSA-N 340.275 4.444 0 40 EIAB CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 21619844 FFXOCSDIEAEJLZ-IBGZPJMESA-N 349.478 4.138 0 40 EIAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccccn2)cc1C 22506858 AQHORSDZGRRKKI-UHFFFAOYSA-N 335.432 4.497 0 40 EIAB Cc1ccc2c(c1)CCCN2CCC(=O)Nc1ccccc1Cl 24891639 XEVOTBXYHDIJIG-UHFFFAOYSA-N 328.843 4.430 0 40 EIAB COC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(C)c1C 24986000 PLUMJHGFCSMQCQ-UHFFFAOYSA-N 347.827 4.492 0 40 EIAB CC[C@H](C)OP(=O)(O[C@H](C)CC)[C@H](O)C(Cl)(Cl)Cl 35193638 YNPDVDFFTXYYSL-OLSDJUHJSA-N 341.599 4.498 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1 36356992 ZNWWMFDGEHBIKU-UHFFFAOYSA-N 337.379 4.110 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1Cl 41095282 UITJMFZGQSNVTB-SKDRFNHKSA-N 336.284 4.159 0 40 EIAB CCOC(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccccc1 45796185 ZOXQRNFZFFTCSQ-UHFFFAOYSA-N 348.424 4.334 0 40 EIAB Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 55895920 RLNRLXZQUPGDEN-YJBOKZPZSA-N 336.435 4.175 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 58226613 BLDQDLSHJDHVDA-BTDLBPIBSA-N 332.831 4.316 0 40 EIAB O=C(NO[C@@H]1CCCCO1)c1cc2sc3ccccc3c2s1 58394164 HZKAFVYEVFFESL-CQSZACIVSA-N 333.434 4.304 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 59351939 XUKPXRGUFXVPGF-KBPBESRZSA-N 347.842 4.302 0 40 EIAB Fc1cccc(Cl)c1Cc1nnc(SCc2ccncc2)o1 66257604 GNVRSYRAVNLFOT-UHFFFAOYSA-N 335.791 4.140 0 40 EIAB O=C(Nc1ccc(NC(=O)c2cccs2)cc1)NC1CCCC1 69421120 DAHMTKRNVFTURH-UHFFFAOYSA-N 329.425 4.065 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 72215089 CLQMIJQJGWZDMN-GDBMZVCRSA-N 333.476 4.388 0 40 EIAB O=C1N=C(Nc2ccccc2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72400483 NBGPBDFOAILHOP-WJDWOHSUSA-N 347.399 4.246 0 40 EIAB Cc1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)cc1C 76555514 XASDUDSSGOIAOR-UHFFFAOYSA-N 349.478 4.328 0 40 EIAB O=C(NCc1ccccn1)c1cc(-c2ccccc2)cc(Cl)c1O 78995422 AHZZHOOAEPFLGQ-UHFFFAOYSA-N 338.794 4.038 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(CN(C)C)c1 84028874 HXUXXKJMGJXARX-UHFFFAOYSA-N 345.446 4.371 0 40 EIAB COc1cc(CO)c(Cl)cc1OCc1c(F)cccc1Cl 95095046 XBSADAIAZSETEN-UHFFFAOYSA-N 331.170 4.212 0 40 EIAB CCN(Cc1cnc2ccccn12)C(=O)/C=C/c1ccccc1Cl 96025061 MVWMBUXRADRNOZ-ZHACJKMWSA-N 339.826 4.050 0 40 EIAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1 96116997 VHKCHSCMOGBBIS-INIZCTEOSA-N 325.799 4.024 0 40 EIAB C[C@H](O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509794 RPWBXLIQMBJCGA-VIFPVBQESA-N 340.217 4.240 0 40 EIAB CCC[C@@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1ccc(C)cc1C 108144696 AYUFHFUHWHRCBY-XLIONFOSSA-N 339.483 4.499 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CCCc2ccccc21 113950860 SXMVFWSPBPSMIQ-UXHICEINSA-N 339.435 4.046 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1 219489707 WATZTEGJPNOCGD-QAPCUYQASA-N 339.435 4.181 0 40 EIAB CC[C@H](NC(=O)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 222833202 HJNAFNQPPMVYBH-KRWDZBQOSA-N 327.424 4.202 0 40 EIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C 223505473 GSRQLXLGISLNRI-HNNXBMFYSA-N 335.444 4.099 0 40 EIAB COCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC 224397455 QAWDRGKKHJKFCY-UHFFFAOYSA-N 340.206 4.401 0 40 EIAB Cc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2C)cc1C 224795688 ZCVQZEDBTDRXSE-UHFFFAOYSA-N 347.462 4.047 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1C 224998505 PSBJMVMWIAUVTA-UHFFFAOYSA-N 331.843 4.410 0 40 EIAB CCCSc1nnc(NC(=O)c2ccccc2SC)s1 225115043 LAFBCVPZUOHMOT-UHFFFAOYSA-N 325.484 4.014 0 40 EIAB CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1cccc2c1CCCC2 225320618 RKMDSZLLGRHYQI-KRWDZBQOSA-N 337.463 4.381 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c(C)n1 225899532 WCKSXIAHUMPOEZ-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226254503 UMTWIGSBBVPNCV-HNNXBMFYSA-N 337.467 4.462 0 40 EIAB CN(C[C@@H]1O[C@@H]2CCCC[C@H]2c2sccc21)C(=O)c1ccco1 248148834 WQYRCQUADIFDJU-XPKDYRNWSA-N 331.437 4.211 0 40 EIAB CCOC1CC2(CCN(Cc3cccc(OC4CCCC4)c3)C2)C1 585084559 WNLBIVQRGMCUQO-UHFFFAOYSA-N 329.484 4.399 0 40 EIAB CC(=O)Nc1ccc(CNCc2csc(C(F)(F)F)c2)cc1 623345551 IJSNBBPCLZAZDQ-UHFFFAOYSA-N 328.359 4.015 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)C[C@H]1CCCO1 257590 DKVRZALEOISWTA-MRXNPFEDSA-N 334.803 4.146 0 40 EIAB COc1cc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 368025 CMJOFFHVTREEFK-UHFFFAOYSA-N 344.407 4.229 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1Cl 484069 WJVXRLSXMNYXGW-MRVPVSSYSA-N 345.613 4.448 0 40 EIAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1nccs1 520001 ZFTUBIQIESFKAY-UHFFFAOYSA-N 333.265 4.322 0 40 EIAB Cc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc23)cc1 2230484 DTHDRPYBKOWBPF-UHFFFAOYSA-N 337.386 4.315 0 40 EIAB Cc1cc(C)nc(SCCOc2ccc(Br)cc2)n1 3246478 CQZUMEDSFNCTCJ-UHFFFAOYSA-N 339.258 4.027 0 40 EIAB Cc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1C 3413278 IYTWAKMNGAEJJZ-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1 3517088 WEBGZEUFZCDDHM-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB O=C(CCCOc1ccccc1)Nc1nc2ccc(F)cc2s1 3560609 BNOFHXBOSVISEA-UHFFFAOYSA-N 330.384 4.233 0 40 EIAB CC(=O)OC[C@]12CO[C@H](CCc3ccccc3)[C@H](C(C)=C[C@H]1C)[C@H]2C 4023978 FVFIDPRIGRPKRH-QFOSDGOKSA-N 342.479 4.416 0 40 EIAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NCCCC)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 4024384 KQNWOQWLNRLDSK-QRGDVLDASA-N 335.488 4.322 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(F)cc2)o1 4275968 QZVUZHODGCWXAC-JXMROGBWSA-N 343.745 4.181 0 40 EIAB C[C@@H](CNC(=O)/C=C/c1ccccc1)OC12CC3CC(CC(C3)C1)C2 4789102 AIIFTUZCMSIDSX-QXRLPVFISA-N 339.479 4.190 0 40 EIAB COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1 5259570 AALUAXUOTXAKCX-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB COc1ccc(CSc2nnc(C)n2-c2cccc(C)c2)cc1F 5358494 YJDDDXLQQAVMIJ-UHFFFAOYSA-N 343.427 4.324 0 40 EIAB CCC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2sc1=O 5485689 NSPGHQXOPUYSBM-INIZCTEOSA-N 338.428 4.468 0 40 EIAB COc1ccc(NC(=O)CSc2ccccc2F)cc1Cl 6652306 FCSCNYSEQRTAFE-UHFFFAOYSA-N 325.792 4.219 0 40 EIAB Cc1cc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2cc1C 6811374 CJDMNCHGJUXRRZ-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCn1c(SCc2nnc(-c3ccccc3)o2)nc2ccccc21 7153801 IWNFSRNCKSKNSF-UHFFFAOYSA-N 336.420 4.399 0 40 EIAB O=C(CSc1nc2ccccc2o1)N(C1=CCCCC1)C1CC1 7338867 VIPPOBGJUJBECO-UHFFFAOYSA-N 328.437 4.369 0 40 EIAB O=C(NCCOc1ccccc1)C1c2ccccc2Oc2ccccc21 7594744 YAXRGFPOWDLYPG-UHFFFAOYSA-N 345.398 4.119 0 40 EIAB Cc1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 7845618 QVXDEHLJRPZCQF-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)CCC2 8193256 AIDPOIPMIXWVGH-UHFFFAOYSA-N 335.403 4.469 0 40 EIAB C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1cccs1 8706694 FVKHPXLTBBLSGS-VIFPVBQESA-N 346.399 4.131 0 40 EIAB COc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 9113046 KLPXMZRYDDMUFM-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1F 9366758 QTGVZHJUPYSHPF-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)c(Cl)c1 11725469 ZXUQHVFDWYJBRW-UHFFFAOYSA-N 338.190 4.407 0 40 EIAB COc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1OC 12157766 RZMZPCOSOJYKBV-UHFFFAOYSA-N 331.437 4.216 0 40 EIAB C[C@H](NC(=O)[C@H](C)N1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 12791830 CGICDSNEXCUKLZ-IHRRRGAJSA-N 346.471 4.072 0 40 EIAB Fc1ccc(-c2noc(CSc3nncc4ccccc34)n2)cc1 12914098 SHEPHSQGTBJMPP-UHFFFAOYSA-N 338.367 4.111 0 40 EIAB CC[C@H](NC(=O)CCC(=O)c1ccc(C)s1)c1ccc(OC)cc1 12915012 LHZLAYZFXJLGGM-INIZCTEOSA-N 345.464 4.296 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)Nc3ncc(C)s3)ccc2c1 13007464 QTRNDHJZJFSWOW-GFCCVEGCSA-N 326.421 4.356 0 40 EIAB C[C@@H](NC(=O)CC1(C(=O)O)CCCCC1)c1ccc2c(c1)CCCC2 13468403 HJUIRAIUVPPWPU-OAHLLOKOSA-N 343.467 4.168 0 40 EIAB C[C@H]1CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H](C)O1 14171412 KXYHHYSZXVORTQ-KBPBESRZSA-N 347.499 4.237 0 40 EIAB Cc1ccc(CNC(=O)c2cccc(C)c2NC(=O)c2ccco2)cc1 14186629 NGJUZKLJISEPLD-UHFFFAOYSA-N 348.402 4.079 0 40 EIAB c1cc(Nc2nc(-c3ccncc3)nc3c2CCC3)c2cccnc2c1 19346426 QENZJULACGFFNS-UHFFFAOYSA-N 339.402 4.319 0 40 EIAB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)n1 24763140 CHAOBEAQSBGYHY-UHFFFAOYSA-N 345.374 4.352 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c2cccnc12 25061427 INEWMAQWHLYYSU-UHFFFAOYSA-N 344.773 4.353 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)/C=C/c1ccccc1 27921372 JMLWIONIOGMNRL-BUHFOSPRSA-N 331.419 4.200 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3cccc4cn[nH]c34)n2)cc1 30574681 YRANWAIGAIWQNB-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 31992897 ZQXNQTAQCNUSFZ-MRXNPFEDSA-N 342.464 4.307 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(F)c1 32754467 CDEZQCHRQMGNHG-CYBMUJFWSA-N 326.371 4.203 0 40 EIAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)s1 38002070 RUOQPCKORHBYOQ-UHFFFAOYSA-N 333.210 4.176 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N[C@@H](C)c1ccncc1 43449136 JQHSTWZRPNRABK-NSHDSACASA-N 334.217 4.035 0 40 EIAB Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 49168990 AEOZJUJWEQYZMT-AWEZNQCLSA-N 327.378 4.139 0 40 EIAB biogenic,in-vitro Cc1ccc(OCCCC(=O)NCCSc2ccccc2)cc1 61078128 IZNHSYXXKOQFOE-UHFFFAOYSA-N 329.465 4.063 0 40 EIAB CCCc1noc([C@H](C)N[C@H](c2cccnc2)C2CCCCC2)n1 69443387 MGJUPBUIEZSHGX-KSSFIOAISA-N 328.460 4.389 0 40 EIAB CCN(C(=O)c1cc(C)no1)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 69698599 IIIWOHHYNBFMTE-FQEVSTJZSA-N 349.434 4.247 0 40 EIAB CN(C(=O)C1CCCC1)[C@H](c1cccnc1)c1ccc(F)cc1F 69809103 JZTHSOZFJKDBSC-GOSISDBHSA-N 330.378 4.098 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1F 71325911 KCKBJVVDYRXTPE-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@H]1C[C@@H]1C 72289670 CINXRRCYEJIDJE-QEJZJMRPSA-N 333.428 4.224 0 40 EIAB COC(=O)c1nc(-c2ccccc2)oc1SCc1ccccc1 72427775 WMLMMEDVZDDVEU-UHFFFAOYSA-N 325.389 4.421 0 40 EIAB CCOc1cc(CNc2ccccc2C)cc(Br)c1O 76276216 VDZGAYZHHCVOCP-UHFFFAOYSA-N 336.229 4.474 0 40 EIAB O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 86278387 JVCJQLDNNSNLMV-ROUUACIJSA-N 344.480 4.315 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 89769586 PKBGSCAHWWXHBT-DJIMGWMZSA-N 349.421 4.066 0 40 EIAB O[C@H](c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F 96190521 LDGHXLCGMFWEIP-QGZVFWFLSA-N 333.309 4.410 0 40 EIAB Cc1cccc(CN2CC[C@@]3(CCCN(Cc4cccc(C)n4)C3)C2)c1 96216235 YFFCSAQDPLDPHC-HSZRJFAPSA-N 349.522 4.187 0 40 EIAB CCCn1cc(CNc2ncccc2O[C@@H](C)c2ccccc2)cn1 97094836 OYNMPUCQHRGKOV-INIZCTEOSA-N 336.439 4.440 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccnn1Cc1cccc(Cl)c1 105126021 BKBNWUMKESEXRO-CWRNSKLLSA-N 343.858 4.350 0 40 EIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225503637 QHASSDNMULAXBH-HNNXBMFYSA-N 339.435 4.370 0 40 EIAB CC[C@H](C(=O)NCC[C@H](O)c1cccc(Cl)c1)c1ccccc1 225608345 ZAKHOAQFWKPTTC-ROUUACIJSA-N 331.843 4.074 0 40 EIAB Cc1ccnc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225676496 NCFVJPVAWXJVPB-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB Cc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Br 226273176 QQKXTMOZFASNQL-NSHDSACASA-N 334.213 4.063 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2c1)C1=CCOCC1 252508963 XZNUURZROPKSGQ-QFIPXVFZSA-N 343.426 4.392 0 40 EIAB C[C@@H]1[C@@H](Nc2cccc(C[S@](=O)C3CCOCC3)c2)CCC[C@H]1C 253369410 CFYJWEVOTAVRLM-ONKLLMOWSA-N 349.540 4.351 0 40 EIAB COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253614353 WGYHVQYXJNPQAA-CAKNGTBZSA-N 332.484 4.099 0 40 EIAB Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)n1 331395493 BZYAEAQWEZIING-FDQGKXFDSA-N 343.471 4.352 0 40 EIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCCc2ccccc2)C1 575616959 LONZYBVXVABUAT-LJQANCHMSA-N 347.462 4.141 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)OC(=O)C2 99912 FBZKRLMXKDYDIW-LJQANCHMSA-N 346.810 4.326 0 40 EIAB biogenic Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 246484 LIFSNDFDELPFMG-UHFFFAOYSA-N 342.489 4.166 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)NCc1cccs1 413252 QPMKUXQHDIUKIW-UHFFFAOYSA-N 342.489 4.267 0 40 EIAB COc1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 1004110 YTZAYSYJIAPLTQ-UHFFFAOYSA-N 342.464 4.120 0 40 EIAB Cc1c(F)cccc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 1428409 YDXRDUMWMSUGDH-UHFFFAOYSA-N 341.407 4.187 0 40 EIAB CC(C)(C)c1ccc(C2=Nn3c(nnc3C(C)(C)C)SC2)cc1 1440128 AVMMDVNDHHRKEG-UHFFFAOYSA-N 328.485 4.231 0 40 EIAB Cc1sc(NC(=O)c2ccc(N(C)C)cc2)nc1-c1ccccc1 4059053 ZVLGHOXJLPCFMT-UHFFFAOYSA-N 337.448 4.437 0 40 EIAB CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1cccc(Cl)c1)C2 4888126 FFMOWDZIMRDEOT-AYHJJNSGSA-N 334.891 4.255 0 40 EIAB O=c1cc(-c2ccccc2)nc(SCc2cccc(Cl)c2)[nH]1 5154889 RKUCKYUAPWSMCK-UHFFFAOYSA-N 328.824 4.383 0 40 EIAB COc1cccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 5321756 LPODPBZTNCFIGW-UHFFFAOYSA-N 340.810 4.028 0 40 EIAB Cc1ccc(CSc2nnc(NC(=O)C3CCCC3)s2)cc1 6628271 WOACPLPCZPUIID-UHFFFAOYSA-N 333.482 4.268 0 40 EIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6965733 BIMXXFCRUQIDSI-QUJCMNEKSA-N 349.386 4.218 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2)N1C1CC1 7886037 RXCNKZKENANXIV-INIZCTEOSA-N 330.334 4.017 0 40 EIAB Fc1cc(Br)ccc1Oc1ncnc2sccc12 7983920 NUYSWSVBHKBMBE-UHFFFAOYSA-N 325.162 4.385 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1 8328812 YLFRSIFAPQNTRE-UHFFFAOYSA-N 326.327 4.091 0 40 EIAB Cc1cccc(C)c1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 8735465 KHAPHSBFAQJSMN-JLHYYAGUSA-N 334.419 4.082 0 40 EIAB CC(C)c1ccccc1NC(=O)CN1CCC[C@H](C(F)(F)F)C1 8945556 KVNDROJPENMMGS-ZDUSSCGKSA-N 328.378 4.023 0 40 EIAB Fc1ccc(F)c(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1 9575764 WQBQXJDUYOWAML-RMKNXTFCSA-N 340.358 4.301 0 40 EIAB CCOC(=O)c1oc2cc(NC(=O)c3ccccc3F)ccc2c1C 9659896 MFLNECVLQFYQPN-UHFFFAOYSA-N 341.338 4.309 0 40 EIAB biogenic O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc2ccccc2c1 10677105 UGMFDYQAGYHYDK-HXUWFJFHSA-N 337.444 4.269 0 40 EIAB Cc1cccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 12111306 AERSGJKIGAPKEL-UHFFFAOYSA-N 337.379 4.085 0 40 EIAB CC(C)c1cc(C(=O)O)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 12397976 UQVQXFVZYOEUBW-UHFFFAOYSA-N 339.370 4.259 0 40 EIAB COC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2s1 12560173 VMBBLAGIRYDYPW-UHFFFAOYSA-N 338.310 4.164 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C 14218863 UPANPXPGQPPATL-INIZCTEOSA-N 331.481 4.466 0 40 EIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)C3CC3)cc2)o1 14310341 MJNLUFAYEQDRCS-CQSZACIVSA-N 347.418 4.240 0 40 EIAB CCC1=Nc2ccccc2N=C(NC(C)=O)[C@@H]1c1ccc(OC)cc1 14608107 GMRCWTIHMHDLDV-LJQANCHMSA-N 335.407 4.141 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20450814 FKASIPXKWWPYQY-KXBFYZLASA-N 329.415 4.477 0 40 EIAB CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(-c3ccccc3)cc2)C1 22113776 YXYOHCYZPXGDRV-IBGZPJMESA-N 338.451 4.235 0 40 EIAB CCc1c(C(=O)Nc2nc(C)cs2)cnn1-c1cccc(Cl)c1 24679466 HMCIBHDMFVEGTF-UHFFFAOYSA-N 346.843 4.105 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 27970484 BKTQIHPJTZTGLG-UHFFFAOYSA-N 347.418 4.003 0 40 EIAB CCOCCCNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 27976598 YSAMTEGAIJWLSP-UHFFFAOYSA-N 348.446 4.367 0 40 EIAB COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2F)ccc1Cl 31055897 AGLOZHIVLAUONZ-UHFFFAOYSA-N 342.153 4.171 0 40 EIAB Fc1ccc(-c2nsc3c(SC[C@@H]4CCCO4)ncnc23)cc1 34791640 QINVWQCLWNFYFV-LBPRGKRZSA-N 347.440 4.164 0 40 EIAB O=C(NCC1CCN(C2CCCC2)CC1)Nc1ccccc1Cl 38674530 JEEBSJBWDSSAAJ-UHFFFAOYSA-N 335.879 4.116 0 40 EIAB COc1cc([C@H](C)NC(=O)c2ccco2)ccc1OC1CCCC1 48340142 GTXSAARODPCFAV-ZDUSSCGKSA-N 329.396 4.101 0 40 EIAB C[C@H](NC(=S)N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 53534342 KHHVOZSRDRQLTM-SUMWQHHRSA-N 344.455 4.265 0 40 EIAB COC(=O)c1oc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1C 58356269 HSCCVOLASLTPQD-UHFFFAOYSA-N 331.456 4.023 0 40 EIAB Cc1nc(N2CCC(n3cccc3)CC2)c2c3c(sc2n1)CCC3 58555272 CNNPRCFKGCTVJT-UHFFFAOYSA-N 338.480 4.131 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1 60807233 JBEKZOWMVFQGPD-CQSZACIVSA-N 347.842 4.222 0 40 EIAB Oc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1 69370269 PBCAGDRMEABQNC-UHFFFAOYSA-N 342.402 4.052 0 40 EIAB CC(C)c1nc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 71819607 LAHUIJYGVVCZPU-GFCCVEGCSA-N 329.469 4.002 0 40 EIAB CCC(=O)Nc1ccc(-c2csc(N3CCC[C@H](C)C3)n2)cc1 71971931 ZROGREAHCGGIRG-ZDUSSCGKSA-N 329.469 4.395 0 40 EIAB 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C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(F)c1 223212414 KMRAZESFDUXNNO-GFCCVEGCSA-N 331.362 4.250 0 40 EIAB CCOc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1Cl 223967176 SRPZUIBJXNWSQD-UHFFFAOYSA-N 347.842 4.164 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccccc2C)c1 224101356 ZUSWAKGEUXCIOJ-UHFFFAOYSA-N 327.424 4.065 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 225346411 GVIBFDNBVLEJIY-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2Cl)cc1C 225442053 ZFTFKGUMAIQNSG-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB CCc1ccc(NC(=S)NCCCc2cccc(OC)c2)cc1 225553002 SVIKUFLKNDFHJK-UHFFFAOYSA-N 328.481 4.177 0 40 EIAB Cc1csc(C2(NCC[C@H](C)c3ccccc3)CCOCC2)n1 225585941 FZGLUEYCXNAWHM-HNNXBMFYSA-N 330.497 4.241 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([C@@H](C)O)c1 226274398 PORMLTLMZGGHQK-SECBINFHSA-N 340.206 4.308 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531692 YNAGVHDXBFFZOT-XBIRKDKFSA-N 337.548 4.232 0 40 EIAB Fc1ccc(Cc2cnc([C@H]3CN(C4CCCCC4)CCO3)o2)cc1 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CCCCOC(=O)Nc1nnc(CSCc2ccccc2)s1 4695015 SKQGFSQKSNTCGX-UHFFFAOYSA-N 337.470 4.320 0 40 EIAB Cc1cc2oc(=O)cc(COC(=O)c3ccoc3C)c2cc1C(C)C 5398329 KIROSYPTWHVJAI-UHFFFAOYSA-N 340.375 4.483 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 5615919 COBPEXXHFYTKRF-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB O=C1C[C@H](c2cccc(F)c2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 5886384 YRESJNCXKRKYGY-CQSZACIVSA-N 341.773 4.343 0 40 EIAB CCCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1OC 6323405 VYXLRIPRLHQSIP-VBKFSLOCSA-N 349.452 4.320 0 40 EIAB O=C(COC(=O)CC1CCCCC1)Nc1cc(Cl)ccc1Cl 7007698 QEJSWWJDNXDUPB-UHFFFAOYSA-N 344.238 4.446 0 40 EIAB CC(=O)Nc1ccccc1OCc1ccc(Br)cc1F 7263187 MIYPJSGXBOKGAZ-UHFFFAOYSA-N 338.176 4.126 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)cc1 7382862 AGBTUOMEXUUYIY-UHFFFAOYSA-N 345.240 4.302 0 40 EIAB Cc1cccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 7421170 BZEXTZGLWQKGBO-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc2ccccc2o1 7448011 QKZUWQNMMBMOLN-UHFFFAOYSA-N 348.446 4.349 0 40 EIAB 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EIAB C[C@H]1Cc2cc(/C=C3/SC(Nc4ccccc4)=NC3=O)ccc2O1 10299449 KDRNNJQKVMEQQE-OOIIIRTPSA-N 336.416 4.092 0 40 EIAB CCc1ccc2nc(NC(=O)c3cn4c(C)cccc4n3)sc2c1 14794396 CKXGOCHGHSSMBY-UHFFFAOYSA-N 336.420 4.067 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F 15293526 XCWOLYKMGDQWJC-UHFFFAOYSA-N 342.292 4.083 0 40 EIAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 15796759 FBEYZLISAGQMKT-XJKSGUPXSA-N 340.423 4.149 0 40 EIAB Cc1cc(NC(=O)C2CCCCC2)n(-c2nc3ccccc3s2)n1 16851004 HJOPLBQJTRQPAY-UHFFFAOYSA-N 340.452 4.309 0 40 EIAB Cc1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)s1 17071041 YCHJWZPULBORII-UHFFFAOYSA-N 338.461 4.356 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccccc2)n1 17296071 VVQSSPHQGPPOQK-UHFFFAOYSA-N 347.443 4.264 0 40 EIAB COCCOc1ccc(NCCOc2ccccc2C(C)C)cc1 19738270 TWGKCMAUCMAIOF-UHFFFAOYSA-N 329.440 4.326 0 40 EIAB CCOc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 19927692 RVONJWMWYKKOCM-ABAIWWIYSA-N 334.466 4.017 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 20042640 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Cc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39773511 UFEHOXKWZKTZFS-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB COc1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 39974161 NNGKATHEYLQDEJ-GOSISDBHSA-N 342.464 4.068 0 40 EIAB Nc1nc(Cl)cc(NCc2ccc(Oc3ccc(F)cc3)cc2)n1 40067532 GYXBQGXYXJDMMK-UHFFFAOYSA-N 344.777 4.256 0 40 EIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(F)c(F)c1 40106866 BIOCWTYRFWMRCZ-UHFFFAOYSA-N 340.329 4.082 0 40 EIAB Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccc(Cl)cc2)s1 41155848 GWWDZCRHKZNJJV-UHFFFAOYSA-N 347.802 4.437 0 40 EIAB CCn1c(Cc2ccccc2)nnc1SCCOc1ccccc1 44176578 QQFKFULKFASEJG-UHFFFAOYSA-N 339.464 4.060 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1 44949093 TUQMUVSTKAOJMH-BEFAXECRSA-N 327.424 4.038 0 40 EIAB O=C(CCc1ccccc1F)N1CCC(Cc2ccccc2)CC1 47339875 ZPTGCIIPKAPMJV-UHFFFAOYSA-N 325.427 4.240 0 40 EIAB O=C(/C=C/c1nccs1)N[C@@H](c1ccccc1)c1cccs1 47416261 YOUXQUSLDNQQDZ-IJDCCNJMSA-N 326.446 4.124 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)N1CCCCCCC1 58356279 YNXNSPYNOBSRQO-UHFFFAOYSA-N 339.439 4.240 0 40 EIAB O=C1N[C@H](c2csc(-c3ccsc3)n2)Nc2cc(Cl)ccc21 58377940 YOZRWTZELUTXFH-CYBMUJFWSA-N 347.852 4.379 0 40 EIAB COc1cc(C)c(Nc2nc3cc(C)nn3c3ccccc23)cc1OC 58407140 QDYMMTWSOJORNM-UHFFFAOYSA-N 348.406 4.260 0 40 EIAB CC(=O)Nc1cccc([C@H](C)OC(=O)Cc2ccccc2Cl)c1 60541564 XNTXQOMRNDMZSC-LBPRGKRZSA-N 331.799 4.145 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccs2)[nH]c1=O 63888104 QTYIIFDIQBZJQX-UHFFFAOYSA-N 344.823 4.318 0 40 EIAB Clc1ccc(-c2cc3c(N4CCCCCC4)nccn3n2)cc1 67284767 ZBFNOTMGAVTKFI-UHFFFAOYSA-N 326.831 4.430 0 40 EIAB CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 67801244 BIQOKFIQYULQKW-UHFFFAOYSA-N 338.879 4.077 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 71195093 FRWFBEWLRHKZRO-NSHDSACASA-N 333.457 4.151 0 40 EIAB CC[C@@H](c1ccccc1)N1CCCN(C(=O)Oc2ccccc2)CC1 72074098 XBSCFOZRGUUVPW-FQEVSTJZSA-N 338.451 4.344 0 40 EIAB CSc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72403099 XMJFIBBWPYIPRS-OAHLLOKOSA-N 339.420 4.370 0 40 EIAB O[C@H](COc1cccc2ccccc12)CN1CC[C@H](c2ccccc2)C1 84525540 OWLWGTWFFKUJNX-SFTDATJTSA-N 347.458 4.069 0 40 EIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 84734526 MAFGBGBKQOLHHM-PKOBYXMFSA-N 349.434 4.330 0 40 EIAB CC(C)n1cc([C@H](C)NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 86397526 HDFYSOSKSIGMPI-KBPBESRZSA-N 330.432 4.053 0 40 EIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1nc2ccccc2s1 89522693 BSEJMCBQUAQCHG-CYBMUJFWSA-N 341.440 4.005 0 40 EIAB Cc1csc(-c2cccc(NCc3ccc([S@@](C)=O)cc3)c2)n1 89708859 ICQDACSLYAEJNF-QHCPKHFHSA-N 342.489 4.468 0 40 EIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1)C1CC1 95348669 JLBXPHKOWXSBQE-LBPRGKRZSA-N 346.477 4.135 0 40 EIAB Cc1nc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c[nH]1 95956516 CQJOKLWGODVKCS-UHFFFAOYSA-N 340.814 4.236 0 40 EIAB CC[C@H](C)CN1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96155787 ZXLWNXVYKLEHAH-INIZCTEOSA-N 349.482 4.017 0 40 EIAB Cc1occc1-c1nnc(NCc2cccc(-c3cccnc3)c2)o1 97375672 LYPOTWFMGKTREX-UHFFFAOYSA-N 332.363 4.312 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 102762002 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4.277 0 40 EIAB Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C)n1 243201 CREZSSLXJONEMT-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)cs1 413134 XHCJHXUBHCIKIL-UHFFFAOYSA-N 330.359 4.365 0 40 EIAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2F)CC1 1336316 CAWORSVLCPAQSL-UHFFFAOYSA-N 345.801 4.214 0 40 EIAB O=C(c1ccc(CN2CCCCC2)cc1)c1cc(F)c(F)c(F)c1 2514536 MSDMSNZMGOZATQ-UHFFFAOYSA-N 333.353 4.321 0 40 EIAB CSCC[C@H](NC(=O)c1sccc1C)c1nc2ccccc2[nH]1 3412359 RUZJIWGEYXYPHD-AWEZNQCLSA-N 345.493 4.157 0 40 EIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccccc1 3501135 LJWZYGSLUBHFAG-SNVBAGLBSA-N 331.828 4.336 0 40 EIAB CC(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162545 UUQMHICLFSDEER-UHFFFAOYSA-N 328.755 4.297 0 40 EIAB Cc1ccc2c(ccc(/C=C/c3ccc(O)c4ncccc34)[n+]2C)c1 4900201 OCZQEOWNYSRLIQ-UHFFFAOYSA-O 327.407 4.397 0 40 EIAB Cc1ccc2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2n1 5198665 OEYFMIAOAKXTJL-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB O=C(CSc1ccc2c(c1)CCC2)NC12CC3CC(CC(C3)C1)C2 7687726 MUJXRARACZFLAP-UHFFFAOYSA-N 341.520 4.352 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 7944243 LWBMKTAZCDFDPI-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB Cc1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)n2C)cc1 8706445 SXCOFJLECNKDCG-UHFFFAOYSA-N 349.463 4.039 0 40 EIAB COCCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 8723197 JUCZJIJKTFPDTD-UHFFFAOYSA-N 335.403 4.046 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(F)cc1 8733883 ZAEBLVRECNMHOU-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)o1 8771849 SNZOSEUXZRLPHB-UHFFFAOYSA-N 342.376 4.001 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 9140461 UDSVASHBTCVHGT-UHFFFAOYSA-N 336.819 4.168 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 10573079 OFGGPPSJVUVTSR-RQJHMYQMSA-N 343.271 4.229 0 40 EIAB Cc1nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc2o1 12747935 RGDQLSAHMJMVAO-UHFFFAOYSA-N 338.407 4.451 0 40 EIAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccnc(Cl)c3)oc12 12813577 YAVDUJWYAFMIMX-LLVKDONJSA-N 344.798 4.371 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(F)ccc1F 12819710 CJWDAOUYCXDCJF-UHFFFAOYSA-N 328.318 4.109 0 40 EIAB CC[C@@H]1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C 13123078 UWOGKYPYXMSAKD-KRWDZBQOSA-N 344.418 4.419 0 40 EIAB Cc1cc(=O)oc2cc(OCCOc3ccc(Cl)cc3)ccc12 15180139 QWGSATCAANJRLK-UHFFFAOYSA-N 330.767 4.213 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 15307297 UVGFPVDJCRFIPE-RLFYNMQTSA-N 347.455 4.172 0 40 EIAB C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1cccc2ccccc12 15814828 WINPWHFRDXXJGL-HNNXBMFYSA-N 329.399 4.493 0 40 EIAB c1ccc(CN2[C@@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@@H]32)cc1 17020570 FNMXQOJCWACGTM-XZQOPNAISA-N 337.426 4.147 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(C)C)cc1 22510212 BFNYCADQAKSKAQ-LJQANCHMSA-N 345.414 4.087 0 40 EIAB Cc1noc(C(C)C)c1C(=O)NCC1(c2ccccc2)CCCC1 22839141 DKTIRMJIJNYTGJ-UHFFFAOYSA-N 326.440 4.348 0 40 EIAB Cc1cccc(OCCNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1 23391637 OSUPTKFIMQEOGQ-CQSZACIVSA-N 348.393 4.055 0 40 EIAB CCc1noc(C)c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 23793757 KXHOZOGCGCQKJA-SECBINFHSA-N 326.318 4.055 0 40 EIAB COCC(=O)N(Cc1ccccc1)c1nc2c(C)cc(C)cc2s1 24716249 JRNLPZILSHSTIS-UHFFFAOYSA-N 340.448 4.093 0 40 EIAB Cc1csc(CCNc2ncnc3sc4c(c23)CC[C@H](C)C4)n1 24760968 ZZSHFXASMWPNGK-JTQLQIEISA-N 344.509 4.236 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)cc1 26564342 MIOGCSBRJZNDCB-UHFFFAOYSA-N 341.455 4.207 0 40 EIAB Cc1nc2c(-c3ccccc3)cnn2c(N2C[C@@H](C)C[C@H](C)C2)c1C 27586164 HBIGQIPIHYPEGW-GJZGRUSLSA-N 334.467 4.495 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Br)c3cccnc23)c(C)o1 27930275 FEMDERDRBHXIFT-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB CC(C)c1c(C(=O)Nc2nccs2)cnn1-c1cccc(Cl)c1 32795169 JLNHJLOKBXVMMZ-UHFFFAOYSA-N 346.843 4.358 0 40 EIAB COc1cc(C)c([C@@H](C)NC(=O)Nc2cccc(C)c2)cc1OC 40095255 DLAMEXCGNZNFSU-CQSZACIVSA-N 328.412 4.203 0 40 EIAB COc1cc(NC(=O)c2c(Cl)c3ccccc3n2C)cc(OC)c1 40143334 IVHJNKFGXASZDL-UHFFFAOYSA-N 344.798 4.101 0 40 EIAB Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 44891570 HHFVZFWUMQVJGC-LJQANCHMSA-N 333.435 4.168 0 40 EIAB CCCc1noc([C@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 48333571 RTTVCZHJMCFJPQ-KBPBESRZSA-N 340.427 4.104 0 40 EIAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NC1CCCC1 60976490 WJTOXEZELSWSDH-UHFFFAOYSA-N 336.435 4.030 0 40 EIAB O=C(CCc1ccccn1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 62867073 ABXBEZHMMFSXLM-JOCHJYFZSA-N 342.442 4.189 0 40 EIAB Cc1cc(CNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)no1 67583918 KHHLWAQDRLILDH-UHFFFAOYSA-N 349.818 4.280 0 40 EIAB CCOC(=O)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 72188039 BNHPWMDOHUTTNG-UHFFFAOYSA-N 345.196 4.169 0 40 EIAB Cc1cnc(CN2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)o1 72632749 QZYLYJWBCTXDPC-INIZCTEOSA-N 338.455 4.293 0 40 EIAB C[C@H]1C[C@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 78503116 YFUCARQGLFTVRO-GXFFZTMASA-N 325.309 4.222 0 40 EIAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2nc(C3CC3)cs2)cc1 84241301 ORIXGIFWWNADDM-UHFFFAOYSA-N 328.437 4.139 0 40 EIAB O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc21 84539071 VRJPRDBFOAOUIU-QFIPXVFZSA-N 342.442 4.107 0 40 EIAB O=C1CSc2ccc(NCc3cccc(-c4ccncc4)c3)cc2N1 89780870 GNRMTLBEZOIHKV-UHFFFAOYSA-N 347.443 4.405 0 40 EIAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC[C@H]1c1ccc[nH]1 95397419 XQOIZYLHXYPMSM-ROUUACIJSA-N 327.403 4.152 0 40 EIAB COCc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1F 95422710 CMUMKEJVHOUKNZ-OAHLLOKOSA-N 339.414 4.009 0 40 EIAB C[C@H](NC[C@H](C)c1ccsc1)c1cccc(N2CCOC2=O)c1 95968799 DWMLYWVSPXOKBK-KBPBESRZSA-N 330.453 4.159 0 40 EIAB Cn1c(C(=O)NCc2ccco2)cc2c1c1ccccc1n2CC1CC1 96146498 JPZMHSFOVCLIQZ-UHFFFAOYSA-N 347.418 4.066 0 40 EIAB CO[C@@H]1CCN(c2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2)C1 96381235 PVVWOCSIIHURJZ-LJQANCHMSA-N 338.451 4.089 0 40 EIAB Cc1ncsc1CNc1cccc(Cn2cnc3ccccc32)c1 96482882 HGKQKELTWNABAO-UHFFFAOYSA-N 334.448 4.462 0 40 EIAB O=C(O)c1cccc2c([C@@H]3OC(=O)c4cccc5cccc3c45)c[nH]c12 111880175 DSJFZDVMXDFITE-LJQANCHMSA-N 343.338 4.279 0 40 EIAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)COc1ccccc1C 219392871 BDAQYKLGOPTYSC-INIZCTEOSA-N 349.430 4.354 0 40 EIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c[nH]c3ccccc23)S1 222586036 WAAYIKXBXNEMJD-RZAIGCCYSA-N 334.448 4.152 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)CCc2ccc(F)cc2)cc1 224190489 NEZOMESJKOVJRO-UHFFFAOYSA-N 343.442 4.295 0 40 EIAB CCCCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC 224436250 LDXGJRJUSXPKDZ-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB Cc1ccc(CC(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 224710539 HJOCDACBLBZIRV-UHFFFAOYSA-N 339.479 4.382 0 40 EIAB S=C(Nc1cccc(Br)c1)NC1(C2CC2)CCCC1 225845857 NJLCPYNCIKLWPC-UHFFFAOYSA-N 339.302 4.458 0 40 EIAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(F)c1 226254804 VHFAJKKAPKKLFR-CYBMUJFWSA-N 327.403 4.039 0 40 EIAB CCOC(=O)c1nc(Nc2ccc(C(F)(F)F)cc2)sc1C 387611410 UAAPTYHGBSGLLY-UHFFFAOYSA-N 330.331 4.391 0 40 EIAB CC[C@H](C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 408714335 OOJMCVMKCZPYTQ-SFHVURJKSA-N 349.434 4.197 0 40 EIAB Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)cc1F 585149309 IKNDHIHBEMIKGG-QGZVFWFLSA-N 333.428 4.093 0 40 EIAB C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 622468932 VMFIONHHBSTCGR-CQSZACIVSA-N 339.483 4.196 0 40 EIAB FC(F)(F)c1ccn2c(Br)c(C(F)(F)F)nc2c1 642881927 HEGZSMJYAKOLMD-UHFFFAOYSA-N 333.029 4.134 0 40 EIAB C[n+]1cccc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)c1 207073 UURFISZXAOBZQC-OAQYLSRUSA-N 349.498 4.077 0 40 EIAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccccc3)sc2n1 333691 IWNBAYZNQDFETD-UHFFFAOYSA-N 336.338 4.437 0 40 EIAB CCN(CC)c1ccc(NC(=O)Cc2ccc(OC)cc2)c(C)c1 1017101 QIHBBIYTQISISF-UHFFFAOYSA-N 326.440 4.031 0 40 EIAB Cc1ccccc1-c1nnc(N(C)C(=O)CCC2CCCC2)s1 1345255 JMGPHNYODJFQLO-UHFFFAOYSA-N 329.469 4.447 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3216385 LYOPYBSYPVCZBI-MRXNPFEDSA-N 345.826 4.324 0 40 EIAB O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCC3 3240153 CEYOGXWGSYWISG-CYBMUJFWSA-N 339.247 4.398 0 40 EIAB O=C(Nc1ccccc1C(=O)NCC1CCCCC1)c1ccccc1 3340533 PXXBXDZDXYWCJO-UHFFFAOYSA-N 336.435 4.249 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163713 YEYYJUMXSKRGJJ-UHFFFAOYSA-N 326.783 4.260 0 40 EIAB O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c([nH]1)CCCC2 4317090 BWAQQQXACJZJTA-UHFFFAOYSA-N 341.263 4.248 0 40 EIAB CSC1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 4664734 JRZBIOKMGXKGMD-GDNBJRDFSA-N 328.824 4.447 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 5210619 VLPSGQSAUASUCT-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB COC(=O)[C@@]1(C)CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 5370236 JONHTESXUZSHQF-HXUWFJFHSA-N 347.455 4.043 0 40 EIAB CSc1nc2ccc(NC(=O)CCOc3ccccc3)cc2s1 5937346 QSSICACATQJKCT-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB O=C(Oc1ccc2ccc(=O)oc2c1)c1cccc(C(F)(F)F)c1 6236486 WXGFNPLYPQMJGU-UHFFFAOYSA-N 334.249 4.031 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1cccc(-n2cccc2)c1 7814499 NCXRKYCCWVNBBQ-SFHVURJKSA-N 334.444 4.444 0 40 EIAB COc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1F 8470461 OJAKGGTUTCYSAP-UHFFFAOYSA-N 335.806 4.319 0 40 EIAB Cc1nc(SCC(=O)Nc2ccccc2C)cc(-c2ccccc2)n1 8654831 WHLCPIYAZGOMPS-UHFFFAOYSA-N 349.459 4.491 0 40 EIAB CCCSc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 8794035 VVMFIXBOJLMKRK-UHFFFAOYSA-N 337.470 4.080 0 40 EIAB Cc1cccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)c1 10156558 NSRFEGMCCLXMNN-MRXNPFEDSA-N 329.403 4.441 0 40 EIAB O=C1S[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 12136860 KKRLHHUYWODRFV-ZDUSSCGKSA-N 336.775 4.117 0 40 EIAB Cc1nn([C@H](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1C 12194693 LFVHHSMRXBSAKI-CJNGLKHVSA-N 339.483 4.126 0 40 EIAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCc2ccccc21 12407865 BPDWMBLHPZTBBU-UHFFFAOYSA-N 338.407 4.461 0 40 EIAB CCc1nnc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1 12443898 BGDJPVNWKWMREF-UHFFFAOYSA-N 333.347 4.298 0 40 EIAB CCN(c1ccc(NC(=O)c2cccnc2SC)cc1)C(C)C 12590406 SCOMPYDMNUFLMX-UHFFFAOYSA-N 329.469 4.291 0 40 EIAB CCOc1ccccc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 12655447 RTWQRCMBJBDIHU-UHFFFAOYSA-N 341.436 4.001 0 40 EIAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c1 12761936 ICBWORURVQOCTG-YFPIXMDGSA-N 337.419 4.081 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(F)c1 12772314 ZPGDXRWQKMPRRT-UHFFFAOYSA-N 325.383 4.224 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1cccs1 12777323 XNJQOYRDEXJOMH-NSHDSACASA-N 343.427 4.181 0 40 EIAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cc2ccccc2o1 12913345 WDVNAKZEMJYZBW-UHFFFAOYSA-N 338.338 4.173 0 40 EIAB CCCOc1ccc(OCC(=O)Nc2cccc(SC)c2)cc1 13010275 IMDXEWTWDRWNAF-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)c(C)c1 13631949 ZZHRWXLRZCFXLY-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 13646730 LUUNXPYWJSAWHV-HNNXBMFYSA-N 329.465 4.023 0 40 EIAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 13759210 DVWCRDAAQVJYAI-PBHICJAKSA-N 330.478 4.371 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1 14728873 SYFPYBBTAQAFEV-UHFFFAOYSA-N 332.447 4.339 0 40 EIAB O=C(/C=C/c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 15699948 ZBSNYELTOGYDHC-SOFGYWHQSA-N 327.405 4.442 0 40 EIAB Cc1c(C(=O)NCCC(C)C)sc2nc(-c3ccccc3)cn12 16740392 HPMAKNDDZABGKW-UHFFFAOYSA-N 327.453 4.147 0 40 EIAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1N[C@H](C)CCc1ccccc1 19907715 PILDCWFKZJVIIB-UTKZUKDTSA-N 340.511 4.436 0 40 EIAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccc(F)c1 20138092 JRWSGWPCCGSNPG-UHFFFAOYSA-N 328.126 4.083 0 40 EIAB COc1cccc(Nc2ncccc2C(=O)Nc2ccc(C)cc2)c1 22053786 VXFBEQWOYMOPMO-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB C[C@@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccccc1 22314063 WBGKAEFJBQWHLK-CYBMUJFWSA-N 337.341 4.257 0 40 EIAB CCCCOc1ccc(C(=O)NCc2cc(-c3ccco3)on2)cc1 22768486 VPCWVXCBLGFYKF-UHFFFAOYSA-N 340.379 4.044 0 40 EIAB Fc1ccc(-c2cnc(Sc3ncnc4ccsc34)[nH]2)cc1 24717258 AGFOKHGMESZHID-UHFFFAOYSA-N 328.397 4.372 0 40 EIAB CC(C)[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 25159076 SBAMSOBELZIFLE-IBGZPJMESA-N 337.398 4.139 0 40 EIAB CC(CNC(=O)c1cc(C2CC2)on1)(c1ccccc1)c1ccccc1 25463175 PWMUVBHSTVKHRQ-UHFFFAOYSA-N 346.430 4.288 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)COc2cccc(Cl)c2)cc1 28318593 HKVJFYXHDMPMHD-SFHVURJKSA-N 345.826 4.091 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)c2nc(-c3ccco3)no2)cc1 29739057 BUMRTOAOIFAKQL-SNVBAGLBSA-N 329.381 4.141 0 40 EIAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2c(s1)CCC2 30253564 RFDQLBPQYLOCBH-INIZCTEOSA-N 343.448 4.047 0 40 EIAB C=Cc1ccc(Cn2c(C(=O)OC)c(C=O)c3ccc(C)cc32)cc1 32917076 OHHXPLWMLGUFQB-UHFFFAOYSA-N 333.387 4.240 0 40 EIAB Cc1cc(N(C)C)ccc1NC(=O)c1csc(Br)c1 32931486 PIPBPEYAQLTCTF-UHFFFAOYSA-N 339.258 4.137 0 40 EIAB C[C@@H](CNc1ncnc2scc(-c3ccccc3)c12)Cn1cccn1 32935547 ANVRPVVUOQZRLA-AWEZNQCLSA-N 349.463 4.303 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)[nH]c2c1 33215166 XPQZMSSQYIURRL-UHFFFAOYSA-N 347.374 4.447 0 40 EIAB CCCOc1ccc(CNC(=O)c2cccc(C)c2)cc1OCC 33645758 PMDUXQFEEDKIBT-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB CC[C@H](NC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)c1ccc(OC)cc1 34884136 PLQXICAWNYECQA-NJSLBKSFSA-N 339.435 4.461 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CCc2ccccc2Cl)cc1 36561805 QXXTUNAYCALYMI-UHFFFAOYSA-N 331.843 4.376 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2ccncc2)cc1 47054025 YKIUCGOOCLBMGN-KDOFPFPSSA-N 341.480 4.411 0 40 EIAB CC[C@H](C)N(C(=O)CCCc1cccs1)c1ccc(C(N)=O)cc1 58157249 WHZAFMQEXQLANH-AWEZNQCLSA-N 344.480 4.001 0 40 EIAB CS[C@H](C)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 58184772 GKBPIWYSHDKJAZ-SJKOYZFVSA-N 335.419 4.116 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 69458245 QCSWMPWGZFMUGB-SECBINFHSA-N 341.238 4.360 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 72265315 JXBGUDVAIUJGHU-KBPBESRZSA-N 329.396 4.199 0 40 EIAB CC(=O)Nc1ccc(CC(=O)N(C)[C@H](C)c2cc(C)ccc2C)cc1 72274663 YXXPIWLWFLNMRK-MRXNPFEDSA-N 338.451 4.024 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c2)cs1 72297632 LSXSSVCSNNMGSR-GZBFAFLISA-N 329.469 4.145 0 40 EIAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCNC2)n1 72354413 ZIFNQLGQOFKWFN-MRXNPFEDSA-N 334.385 4.467 0 40 EIAB CCCCOc1ccc(NC(=O)N2CCC[C@@H](COC)C2)c(C)c1 79101417 YSYFTSDHCAOICT-MRXNPFEDSA-N 334.460 4.064 0 40 EIAB CCC[C@@H](O)c1noc(-c2cccc(OCc3cccc(C)c3)c2)n1 97378064 JTKQQAFUVZFFIF-GOSISDBHSA-N 338.407 4.458 0 40 EIAB Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc(C)c1Cl 218920011 IQHXYDCRNKGYSO-UHFFFAOYSA-N 325.742 4.253 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 218966811 FLKGUKFNJUOOLI-KRWDZBQOSA-N 325.452 4.128 0 40 EIAB CCc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 223140253 JVCCUGSCVBJHRB-UHFFFAOYSA-N 347.418 4.275 0 40 EIAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 223264676 WJIKJNXPFQRXNS-MRXNPFEDSA-N 347.842 4.167 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224927014 YPRNSKFJTTYQLQ-KRWDZBQOSA-N 338.451 4.310 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSC1CCCC1 225714564 UYVJAQKNDIKAPS-KRWDZBQOSA-N 335.513 4.253 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)NC2(C(C)C)CCCC2)c1 225856337 PFMKAOSYDFTBMK-UHFFFAOYSA-N 334.485 4.037 0 40 EIAB CC[n+]1cc(Br)cc(-c2nc3c(C)cccc3s2)c1 226776850 IQCFXJBQLDPAGY-UHFFFAOYSA-N 334.262 4.342 0 40 EIAB Cc1cc(N)ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl 227145376 VOKPZOJLZZOPMH-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)c1 409197026 UGKWQHHQMBFWAZ-VZCXRCSSSA-N 340.423 4.251 0 40 EIAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC2(CC1)CC2 598906713 KQFNOPIBPJNXCB-UHFFFAOYSA-N 349.478 4.293 0 40 EIAB CCn1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc21 599442847 SXRVRCFLSASZOL-UHFFFAOYSA-N 343.434 4.090 0 40 EIAB Cc1cn(-c2cccnc2)nc1NC(=O)N1CCC[C@@]1(C)CC(C)C 1615627630 QPRJZWODVMGZJA-IBGZPJMESA-N 341.459 4.008 0 40 EIAB C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[C@H]1c1ccccc1 1641879528 JUQYNNPYDABHCC-RHSMWYFYSA-N 344.405 4.029 0 40 EIAB COc1ccccc1NC(=O)NCCc1ccc(-c2ccco2)s1 2086896723 WDJDNRLHPTWHDK-UHFFFAOYSA-N 342.420 4.381 0 40 EIAB CCC[C@H]1C[C@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O 518491 WSDGNMGDWQSZKD-KPZWWZAWSA-N 346.452 4.474 0 40 EIAB biogenic CCCCOC(=O)N1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 2473151 AQWJVHQBSHBIAH-DTWKUNHWSA-N 331.256 4.047 0 40 EIAB Cc1ccc(C)c(C(=O)COc2ncnc3sc(C)c(C)c23)c1 2620715 RDHYMJMZYLCIAE-UHFFFAOYSA-N 326.421 4.187 0 40 EIAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1C 2715828 DBNWIKGKCKAWJZ-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC)C1 2749043 DPENGRWLDMVNMZ-LLVKDONJSA-N 347.436 4.203 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2nc1Cl 5446647 OWNFTDPNXKUXES-UHFFFAOYSA-N 331.202 4.472 0 40 EIAB CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 6497592 FNOGYGGFHUHYGP-LCYFTJDESA-N 334.853 4.006 0 40 EIAB Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 7339443 JEKNVCKEOPMVHE-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB CCOc1cc(CNC2CCCC2)cc(Br)c1OCC 8253810 DTBOGIQXJVVOKU-UHFFFAOYSA-N 342.277 4.279 0 40 EIAB COc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cc1O 8346184 WFXSIGIDDYKROC-UHFFFAOYSA-N 341.436 4.418 0 40 EIAB O=C1c2ccccc2NC2(CCSCC2)N1CCc1ccccc1 8427684 FZZVXRANBKUAIP-UHFFFAOYSA-N 338.476 4.020 0 40 EIAB CCn1c(SCc2nc3ccccc3o2)nnc1-c1cccs1 8536610 FJFOFYDVJXWQDG-UHFFFAOYSA-N 342.449 4.460 0 40 EIAB O=C(/C=C/c1ccc2ccccc2n1)NC12CC3CC(CC(C3)C1)C2 8720486 GEGWZGANACNMBI-BQYQJAHWSA-N 332.447 4.333 0 40 EIAB C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CCSc2ccccc21 8728525 CMXRZRFRIQCFQP-RHSMWYFYSA-N 326.465 4.230 0 40 EIAB CCCn1c(NC(=O)CSc2ccc(F)cc2)nc2ccccc21 9592947 XRSNCMKRUPGLFF-UHFFFAOYSA-N 343.427 4.316 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCSCc2ccccc2)cc1 10613815 JPMHQJYFQIOXQO-UHFFFAOYSA-N 343.448 4.125 0 40 EIAB COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 12588160 FWTKFIPEXHVZOJ-IBGZPJMESA-N 333.391 4.001 0 40 EIAB COc1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)no2)cc1 12638244 YKPCWYMRXUQOLL-UHFFFAOYSA-N 348.358 4.026 0 40 EIAB Cc1cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)no1 12748381 GABNSAXVBNRTLL-UHFFFAOYSA-N 341.364 4.160 0 40 EIAB CCc1onc(C)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 19521171 KUPQXWUYWRMEHG-LLVKDONJSA-N 347.484 4.405 0 40 EIAB CCc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)no1 19522667 UDVQJEWEFMCLJR-GOSISDBHSA-N 338.432 4.086 0 40 EIAB CCOC(=O)c1cnc2ccc(OC)cc2c1NCc1ccccc1 19791960 WVQDCAUNYTWULI-UHFFFAOYSA-N 336.391 4.032 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1F)c1cccc(Br)c1 20029731 AZIPKRRGESSPOU-VIFPVBQESA-N 340.167 4.218 0 40 EIAB C[C@H](NC(=O)c1cncn1-c1ccccc1)c1cc2ccccc2o1 21933550 MKZKHJMTLGEMKH-AWEZNQCLSA-N 331.375 4.110 0 40 EIAB Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2cccnc2)c1 22506373 STJCJQLGVPDREV-UHFFFAOYSA-N 349.459 4.175 0 40 EIAB COc1ccc(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 22527202 AMXNPNHNISOXDT-FQEVSTJZSA-N 341.451 4.150 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)/C=C/c1ccccc1 24839154 NZCSSHLVFXEEBB-LHNRBYRGSA-N 341.432 4.426 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 29024681 AVFGPADAKHTCAE-OAHLLOKOSA-N 325.408 4.414 0 40 EIAB COC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1C 30231232 CWCJXXNJWLJQRW-UHFFFAOYSA-N 337.419 4.232 0 40 EIAB Cc1ccc2c(C)c(C(=O)Nc3ccnn3Cc3ccco3)oc2c1 32593518 MJKUBFMDNBHQAE-UHFFFAOYSA-N 335.363 4.140 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cl)cc1OC 32895160 PENQEIBSPYLKQI-INIZCTEOSA-N 345.826 4.335 0 40 EIAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCC 33319491 FFLOMPUTWSSDAS-XFFZJAGNSA-N 343.857 4.467 0 40 EIAB CCCCC/C=C/C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 33838792 UVZBUUTTYHTDRR-QZBGSEDNSA-N 336.472 4.158 0 40 EIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1C 41077059 WWILAHAUVNHVCO-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB CC[C@@H](C)c1ccc(OC[C@H]2CCCNC2)c(Br)c1 42774589 LCKSSPAHIALMDM-OLZOCXBDSA-N 326.278 4.341 0 40 EIAB Cc1cc(NC(=O)N2CCc3sccc3[C@H]2c2cccs2)no1 58182153 NVDDWQDDTVWOGY-HNNXBMFYSA-N 345.449 4.286 0 40 EIAB C[C@H](NC(=O)N(CCO)Cc1ccccc1)c1ccc2ccccc2c1 58226866 FGQJASTWMMPNAI-KRWDZBQOSA-N 348.446 4.105 0 40 EIAB CC(C)CN1CCC(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)CC1 64809140 UIFZBEHKFSZWDF-NRFANRHFSA-N 340.511 4.033 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)C[C@H](C)C2CC2)nc2ccccc21 65592104 LZOVLYBHHPAYSE-KSSFIOAISA-N 325.456 4.156 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccn2)no1 69515468 MBNKGLQSNXDBJS-ZDUSSCGKSA-N 334.379 4.071 0 40 EIAB CCN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc(C)nn1 69740555 JBZNPLZURYRJKC-UHFFFAOYSA-N 345.402 4.280 0 40 EIAB CCNC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 71796273 QJDSUDSGHSGBNS-UHFFFAOYSA-N 347.439 4.279 0 40 EIAB CN(C(=O)c1sccc1OC(F)F)c1nc2ccccc2s1 71857402 ZAMWKROPKHRHGQ-UHFFFAOYSA-N 340.376 4.236 0 40 EIAB CCn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72358230 VXVRYRQMFKMGEI-OAQYLSRUSA-N 346.478 4.226 0 40 EIAB Cc1cc(C[S@@](=O)[C@H](c2ccccc2)c2ccccc2C)no1 78394599 VKSHHSSUMGCPBT-XXBNENTESA-N 325.433 4.330 0 40 EIAB COc1ccc([C@H](C)NCc2cccc(NC(=O)C3CCC3)c2)cc1 95419659 PRAFCOBFQAMKGW-HNNXBMFYSA-N 338.451 4.285 0 40 EIAB CCOC(=O)c1sc(Nc2ccccc2Br)nc1C 95929460 WZLQNRBCIFBAMD-UHFFFAOYSA-N 341.230 4.134 0 40 EIAB Cc1cc(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)o1 95957303 IVXDWTPXIKDHQC-SNVBAGLBSA-N 325.330 4.276 0 40 EIAB O=C1OC(c2ccccc2)=N/C1=C/Nc1ccc(Cl)c2cccnc12 100392325 VMSJOMIXYDCHMM-LFIBNONCSA-N 349.777 4.145 0 40 EIAB CC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 102448478 IULQJAAUYMQYES-CXTCDGGRSA-N 331.843 4.406 0 40 EIAB COCc1cccc(C(=O)N(Cc2ccsc2)c2cccnc2)c1 171353461 FWSMSGIBOWUJSE-UHFFFAOYSA-N 338.432 4.137 0 40 EIAB O=C(Cc1ccccc1)Nc1cc(NC[C@@H]2CCC=CO2)ccc1F 194586404 JUHNOWSPNQRROT-KRWDZBQOSA-N 340.398 4.112 0 40 EIAB O=C(Cc1ccccc1Cl)NCc1cncc(-c2ccsc2)c1 206943374 VWOLCWHVCCSROV-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N1CCS[C@H](c2ccco2)CC1 219370360 FWJMDRPHXXCIJA-SFHVURJKSA-N 340.448 4.010 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCCSC1CCCCC1 222789464 BKXKTBMFBUYRHG-UHFFFAOYSA-N 329.868 4.204 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223443928 ZQAQKFKEELMJKG-SJORKVTESA-N 341.451 4.265 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 223496284 QJYTVXSKJMURER-KRWDZBQOSA-N 325.452 4.349 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224125660 DERXZTHSMYZBRT-UHFFFAOYSA-N 327.424 4.065 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)NCCSC1CCCC1 224202096 NVJNMUIMMDEZQM-UHFFFAOYSA-N 348.295 4.164 0 40 EIAB CCOc1ccc(C(=O)NC2CC2)cc1COc1cc(C)cc(C)c1 224529253 KRWRPJPICSEVJD-UHFFFAOYSA-N 339.435 4.173 0 40 EIAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccccc1 224940955 HGMVSUKRBHNVAZ-KRWDZBQOSA-N 333.431 4.214 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2C)cc1 224983795 SPJSYCJZPKDYCM-UHFFFAOYSA-N 341.885 4.195 0 40 EIAB CN1C(=O)Cc2cc(NC(=O)c3ccc(-c4ccsc4)cc3)ccc21 225615286 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C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1 483920 KFAGUWAWGZOSNX-CYBMUJFWSA-N 333.815 4.384 0 40 EIAB O=C(CSCc1ccccc1)N1CCC(Cc2ccccc2)CC1 565874 KKWSMSBRJWEUDS-UHFFFAOYSA-N 339.504 4.401 0 40 EIAB CC(C)CC[C@H](CCNC[C@H]1CCCO1)c1ccc2c(c1)OCO2 2332748 YESDLGNBFIQNOS-SJLPKXTDSA-N 333.472 4.094 0 40 EIAB CCc1nc2ccccc2n1C[C@@H](O)COc1cccc2ccccc12 3077607 LSNDYZVZGXDZCK-QGZVFWFLSA-N 346.430 4.192 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 3097282 IVFFJUAKHSVYDY-HWPZZCPQSA-N 326.223 4.309 0 40 EIAB O=C(COc1ccccc1OC(=O)c1ccccc1)c1ccccc1 3190023 AFTOCDUWOPJERZ-UHFFFAOYSA-N 332.355 4.168 0 40 EIAB CCc1cccc(C)c1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 3548545 VBSLLIXQMXNQTN-LJQANCHMSA-N 339.435 4.368 0 40 EIAB COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)cc(OC)c1C 3592132 FEYGKNJLSQPQSF-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB Cc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4o3)nc2n1 4005262 JURSTRIOGZWMTL-UHFFFAOYSA-N 344.827 4.433 0 40 EIAB CCc1cccc2sc(NC(=O)CCOc3ccccc3)nc12 4325791 BZMWZXAJPHQSCB-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB COCCn1cc(NC(=O)N[C@H](C)c2ccccc2)c2ccccc21 5266406 VBGDIYOUEUVSON-OAHLLOKOSA-N 337.423 4.170 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 5614610 SXJARUSSBPMRMM-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6044524 HGVIBJWKBKRQCN-UHFFFAOYSA-N 340.810 4.363 0 40 EIAB CC[C@H](C)NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 6787054 HBTNJRNARIOGFA-LBPRGKRZSA-N 327.852 4.302 0 40 EIAB COc1cc(CNc2ccc(F)cc2)cc(Br)c1OC 8109916 UMTKSUOKFIAULR-UHFFFAOYSA-N 340.192 4.218 0 40 EIAB COc1cc(NC(=O)Cc2c[nH]c3ccccc23)c(OC)cc1Cl 8313647 NGTPSGYEAPYVJH-UHFFFAOYSA-N 344.798 4.020 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1C 8499992 WXZZZIWTEPPRMT-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB Fc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1Cl 9053391 KATFKUANIJGPNU-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB COc1ccc(C)cc1NC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2 9484434 HVTFHYOABUSGBA-CQSZACIVSA-N 343.423 4.163 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2OC(F)F)o1 10115088 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O=C(c1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 16492794 NLEDJYSFYRSVAC-UHFFFAOYSA-N 349.455 4.483 0 40 EIAB CN(CCOc1ccc(F)cc1)C(=S)Nc1cccc(Cl)c1 16948645 ASHWRGJRQOTPHW-UHFFFAOYSA-N 338.835 4.187 0 40 EIAB Oc1nncc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1Cl 17325987 VYKFOOVZPKSUMZ-UHFFFAOYSA-N 348.793 4.355 0 40 EIAB CCC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc12 18102664 UHPRXEIILXQAAR-GASCZTMLSA-N 326.440 4.024 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(F)cc1 19932714 UKRWMXYCBXTIEK-IBGZPJMESA-N 343.442 4.349 0 40 EIAB Cc1cccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1C 24813495 RGTSQHUZWZHKOG-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)cc1 26128573 WWZBOBIDKVSPOQ-CYBMUJFWSA-N 338.432 4.449 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccn(C2CCCC2)n1 32611579 JTCLSPWCPFKPGW-UHFFFAOYSA-N 341.308 4.408 0 40 EIAB C/C=C/c1cc(C(=O)N(C)Cc2cccs2)cc(OC)c1OC 32841535 WIORKUMVDZAOQQ-FNORWQNLSA-N 331.437 4.071 0 40 EIAB COC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 33901818 CEZKLEHYJURHTB-QYQWGMGISA-N 349.515 4.115 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38833540 GNKJQNLOIZJVQN-GOSISDBHSA-N 340.442 4.293 0 40 EIAB O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2ccccc2)cc1 43074253 WRANJGJWHNGAPO-UHFFFAOYSA-N 337.301 4.222 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 44905919 QNNWPSBHQPORMC-KRWDZBQOSA-N 347.462 4.348 0 40 EIAB COc1ccc(Oc2ccc(CNCc3ccccc3F)cn2)cc1 47720086 JUGJORNEZXAPGV-UHFFFAOYSA-N 338.382 4.311 0 40 EIAB Cc1cc(/C=C/C(=O)NCc2nccs2)c(C)n1C1CCCCC1 58377725 KUEAFKPASMBFCS-CMDGGOBGSA-N 343.496 4.396 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71325995 LNLMQNCZUKPKQY-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB COc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)c(OC)c1 71971718 MIPSOVJPSIBCQD-UHFFFAOYSA-N 341.388 4.193 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 72291529 YDFARVQEWUXWFW-WFASDCNBSA-N 342.826 4.211 0 40 EIAB CC(C)N1CCCCC[C@@H]1Cc1c(C(N)=O)sc2ccccc12 72370759 LCTQVRMPRQXPBI-CQSZACIVSA-N 330.497 4.196 0 40 EIAB Cc1cccc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)c1O 75572620 UNDBRKQKRGJGNK-UHFFFAOYSA-N 339.435 4.001 0 40 EIAB C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1nccs1 78064875 NFLLURUKTJLICR-SNVBAGLBSA-N 328.359 4.004 0 40 EIAB Cc1ccnc(SCc2nc(-c3ccc(C(C)C)cc3)no2)n1 78879573 BOZSRJSNMVQBTN-UHFFFAOYSA-N 326.425 4.251 0 40 EIAB OC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](C(F)(F)F)SC1 79488252 ZQQLHYPQXQVCID-NSHDSACASA-N 349.378 4.422 0 40 EIAB O=C([C@H]1CC1(Cl)Cl)N(CC(F)F)c1cccc(Cl)c1 84804145 ZESJJJRCFIAPMV-SECBINFHSA-N 328.573 4.132 0 40 EIAB CC(=O)Nc1cc(NC(=O)CCO[C@@H](C)CC(C)C)ccc1Cl 87192054 VIIRUDNSVKEICG-LBPRGKRZSA-N 340.851 4.078 0 40 EIAB c1cc(CNCc2csc(C3CC3)n2)cc(N2CCCCCC2)n1 89884810 NHFOZNWLBDHONX-UHFFFAOYSA-N 342.512 4.086 0 40 EIAB CCc1cnccc1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 95451500 LYJHXQUILKRCTJ-KRWDZBQOSA-N 346.377 4.053 0 40 EIAB F[C@@H](C(F)(F)F)C(F)(F)COc1cccc(Br)c1 96508972 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Cc1c[nH]c2ccc(NC(=O)N3C[C@H](C)OC4(CCCCC4)C3)cc12 952885669 TZAJYQRMYDNDSW-HNNXBMFYSA-N 341.455 4.432 0 40 EIAB CCOc1ccccc1C(=O)NCc1cc(-c2ccoc2)cs1 1775969669 FRRGOVGORKCVKY-UHFFFAOYSA-N 327.405 4.337 0 40 EIAB CC1(C)Cc2ccccc2C(CC(O)(C(F)(F)F)C(F)(F)F)=N1 361474 GBNWQDZRAIFXFL-UHFFFAOYSA-N 339.279 4.056 0 40 EIAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1 800629 OWCFGDRFVZTYJR-UHFFFAOYSA-N 330.387 4.056 0 40 EIAB Cc1cc(C(=O)CSc2ccccc2)cc(C)c1OC(=O)N(C)C 1400796 VRPWLJSPLYHAQS-UHFFFAOYSA-N 343.448 4.339 0 40 EIAB COc1cc([C@@H](OC)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 1453835 OYKQOZVBDSJLPM-LJQANCHMSA-N 341.407 4.238 0 40 EIAB CC(C)OC(=S)SCC(=O)c1ccc(Br)cc1 1562569 BMIIVAPFHMDSKU-UHFFFAOYSA-N 333.272 4.075 0 40 EIAB CN1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1 3157469 MZNMLVWEPJNOFY-UHFFFAOYSA-N 337.286 4.382 0 40 EIAB O=C(C[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 3160215 CLDJHQMKVKSHRC-SECBINFHSA-N 336.429 4.297 0 40 EIAB C[C@H](NC(=O)CSC1CCCC1)c1ccc(Br)cc1 3325672 KTVRUDDLPYMGLZ-NSHDSACASA-N 342.302 4.302 0 40 EIAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1 4176288 RUOXKBQTVDHFDT-UHFFFAOYSA-N 337.400 4.454 0 40 EIAB COc1cccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1OC 4479335 ODUDFRYHKPOTMJ-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB COc1ccccc1[C@@H](C(=O)c1ccccc1)[C@H]1CN2CCC1CC2 4899094 MQNXBEOUQSAJES-PZJWPPBQSA-N 335.447 4.004 0 40 EIAB O=C1O[C@@H]2[C@H]3c4ccccc4[C@H](c4c3cc(F)c3ccccc43)[C@H]2O1 5062767 LUKZZYYFPSQVQH-MTQWCTHYSA-N 332.330 4.474 0 40 EIAB Cc1ccccc1C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 5520375 ULWHCVYDUONQFW-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 6315940 VONIFXNYGOMTKN-UHFFFAOYSA-N 327.405 4.039 0 40 EIAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccco1 6840727 HLQBFYVNWJXTJX-UHFFFAOYSA-N 348.351 4.167 0 40 EIAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 7391820 XRIMAHDPCZRGCK-LLVKDONJSA-N 348.855 4.159 0 40 EIAB Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(N)cc2)c1 7468269 BSMYREFFNNHQQU-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c1 7929058 UJHUVYACOUDPOR-SFHVURJKSA-N 345.398 4.107 0 40 EIAB C[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 8332516 DSEODQXZUVXQIX-MRXNPFEDSA-N 345.446 4.283 0 40 EIAB CCn1c(NCc2c[nH]nc2-c2ccc(C)cc2)nc2ccccc21 9261981 PTFXROQEMBCNGC-UHFFFAOYSA-N 331.423 4.367 0 40 EIAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccccc1C(F)(F)F 9494273 CLKFOQWWQGCVFF-NSHDSACASA-N 342.386 4.398 0 40 EIAB Cc1cc(NC2CCCCCCC2)n2nc(-c3ccco3)nc2n1 9526444 UQAWIQSBORDRRQ-UHFFFAOYSA-N 325.416 4.218 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)c1 11914998 SGEOTHDQPFVQMG-AWEZNQCLSA-N 342.439 4.391 0 40 EIAB CC(C)[C@@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)O 11946100 GFNIVFZTLONKDR-CYBMUJFWSA-N 329.234 4.235 0 40 EIAB Cc1cccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)nc12 12088216 HFWBVIRBSKHEEO-UHFFFAOYSA-N 333.435 4.245 0 40 EIAB COc1ccccc1CC(=O)Nc1c2c(nc3ccccc13)CCCC2 12538788 LMFKDHWHDMCCHS-UHFFFAOYSA-N 346.430 4.303 0 40 EIAB O=C(NCc1ccncc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12738800 DWSMYDPBTJYKKP-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB Cc1c(C(=O)NCc2ccco2)oc2c1C1(CCC2)SCCS1 16740200 NNQCICWPIKTRPG-UHFFFAOYSA-N 349.477 4.080 0 40 EIAB Fc1ccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 19344826 UHTJFKHJBSRYOQ-CQSZACIVSA-N 343.427 4.317 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(NC(C)=O)c1 20481269 IFRXSHNMOWTSQL-SFHVURJKSA-N 340.423 4.058 0 40 EIAB Cc1ccc(CN(C)C(=O)CCCOc2ccc(Cl)cc2)cc1 22526837 VBHKKGOWZAGMTN-UHFFFAOYSA-N 331.843 4.466 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)s1 24839030 GMLCXTCZBOSQGT-UHFFFAOYSA-N 335.372 4.185 0 40 EIAB O=C(COc1ccc(F)cc1Cl)NC1(c2ccccc2)CCC1 24988540 FQVLSVGXJIYMOO-UHFFFAOYSA-N 333.790 4.054 0 40 EIAB c1ccc2c(Oc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2c1 25164942 OEDPIJPWKVPUKM-UHFFFAOYSA-N 343.342 4.213 0 40 EIAB Cc1oc(C)c(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1C 25250173 SYFHURDHLPOZJE-UHFFFAOYSA-N 335.407 4.011 0 40 EIAB Fc1cc2nc(SCc3ccc(-n4cccn4)cc3)[nH]c2cc1F 27079054 FQNJTYJWEUPTIB-UHFFFAOYSA-N 342.374 4.319 0 40 EIAB O=C(Nc1ccccc1Br)c1ccc(F)c(F)c1F 28210882 GEMNMIUWKPRTOY-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB O=C(CCNc1ccccc1)N[C@H](c1ccccc1)c1cccs1 30127635 GRXSTYSYWMCNLW-HXUWFJFHSA-N 336.460 4.456 0 40 EIAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2o1 32097489 QJKHQRBIJFBHSB-UHFFFAOYSA-N 348.399 4.065 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1C 32487585 HVSAJLMMUTZTEZ-SJLPKXTDSA-N 325.452 4.208 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1ccc(-c2ccnc(C)n2)cc1 32824834 RGGVBSZXZLVTJR-FMIVXFBMSA-N 345.402 4.113 0 40 EIAB COc1cc(CN[C@H](c2ccccc2)C(C)C)cc(OC)c1OC 39985615 DXISTWNMQMYDLA-IBGZPJMESA-N 329.440 4.199 0 40 EIAB CCC(CC)N(Cn1nc(-c2ccc(OC)cc2)[nH]c1=S)C1CC1 40151388 WZUITARWKNOJQO-UHFFFAOYSA-N 346.500 4.227 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1C(F)(F)F 41450584 OBNVLTSCCHSPOW-UHFFFAOYSA-N 338.285 4.121 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC[C@@H](c1ccsc1)N(C)C 43340278 NNMZIVCWJBOSGM-KRWDZBQOSA-N 345.512 4.297 0 40 EIAB Cc1[nH]c2c(C(=O)Oc3ccc(N4CCCC4=O)cc3)cccc2c1C 58379139 MDARCCANJCZZKR-UHFFFAOYSA-N 348.402 4.131 0 40 EIAB O=C(NCCOc1cccc2ccccc12)c1ccc(Cl)cc1F 59581348 MFBRXPOTAFULEJ-UHFFFAOYSA-N 343.785 4.441 0 40 EIAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1ccccn1 60976488 OJIQELXOXXPFGQ-UHFFFAOYSA-N 345.402 4.005 0 40 EIAB CC(=O)Nc1cc(NC(=O)c2sccc2C2CC2)c(F)cc1F 67238386 JGYGDCLVEBDMOD-UHFFFAOYSA-N 336.363 4.114 0 40 EIAB CCCC[C@@H](CC)Cn1nc(Br)nc1Br 67799115 GMDZWBDGRROGHQ-MRVPVSSYSA-N 339.075 4.020 0 40 EIAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C 67889900 BDYFWVNCBFNNRW-QAPCUYQASA-N 341.455 4.006 0 40 EIAB biogenic,in-vitro Fc1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1 71890042 JVPBOSFBLPYCNC-UHFFFAOYSA-N 330.403 4.353 0 40 EIAB Cc1cc(C)c(CNC[C@@H](O)c2ccc(OC(C)C)cc2)c(C)c1 72286597 KZQDXZBEMADELV-OAQYLSRUSA-N 327.468 4.222 0 40 EIAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cccc(F)c1 80345638 LNVQOZCMMDLQJI-UHFFFAOYSA-N 344.773 4.373 0 40 EIAB Cn1ncc(NC(=O)Nc2ncc(-c3ccccc3)s2)c1C(F)F 89741045 TZCHWZKNWIAZDH-UHFFFAOYSA-N 349.366 4.125 0 40 EIAB CCOc1c(Cl)cccc1NCc1nnc(Cc2ccccc2)o1 95409869 XYLZPWBGSKWHGZ-UHFFFAOYSA-N 343.814 4.325 0 40 EIAB CCSc1cc(C(=O)Nc2cc(-n3cccc3)ccc2F)ccn1 95450882 SBAXKJNYVSRUPM-UHFFFAOYSA-N 341.411 4.376 0 40 EIAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 96103574 AWEUSGBSMDXEDJ-VMPITWQZSA-N 346.342 4.290 0 40 EIAB Cn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(F)ccc21 100843348 JHXWWGTUMZEVRJ-UZYVYHOESA-N 342.439 4.418 0 40 EIAB Cc1cccc(/C=C2\NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1 105556899 ZFXOAXDDTZBOAM-PDGQHHTCSA-N 336.460 4.381 0 40 EIAB CC(=O)Nc1cc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1F 108363173 DDCCHXWVFAHEHD-RDTXWAMCSA-N 341.430 4.032 0 40 EIAB CC(C)Oc1ccc(Cl)cc1C(=O)CC(=O)c1ccccc1O 113704294 FNKFRAXIJKEWES-UHFFFAOYSA-N 332.783 4.289 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223444970 NBKLDRSMWDTOKK-QGZVFWFLSA-N 331.481 4.101 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COC(C)C)c1 224426644 WFGXTODITAGHLS-UHFFFAOYSA-N 343.423 4.271 0 40 EIAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(SC)cc1 224973067 ZGWBIHWJFBIIBS-UHFFFAOYSA-N 335.494 4.241 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(Cl)c1 225580545 OTSFEGDFLFFDQL-INIZCTEOSA-N 339.936 4.281 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2(C)CCCCC2)c1C 225864053 HZDRLKGTHIQGCW-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB CC(=O)OC(C)(C)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360851 NLGKBVAUYTWGBJ-UHFFFAOYSA-N 342.235 4.249 0 40 EIAB Cc1cnc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)o1 585116934 MQVZONQRFPQQPV-UHFFFAOYSA-N 328.416 4.003 0 40 EIAB CCc1ccc(OCC(=O)Nc2ccccc2Br)cc1 265232 BSFXHCRYKORUOT-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB Cc1ccc2c(c1)-c1nc3n(c(=O)c1C1(CCCCC1)C2)CCS3 548059 UKTOWWYNIDSLKX-UHFFFAOYSA-N 338.476 4.082 0 40 EIAB Cc1ccc(CNC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1 2762043 USBNSRQUCFCLSI-BUHFOSPRSA-N 345.446 4.127 0 40 EIAB O=C(CSc1ccccn1)Nc1ccc(SC(F)F)cc1 3169741 PCOCUIYOAXUYPM-UHFFFAOYSA-N 326.393 4.127 0 40 EIAB Cc1cc(C)cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 3327819 OEVJIUBBMSTQKJ-UHFFFAOYSA-N 336.479 4.197 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3ccccc3c2)c1C 3509804 IGXMQGZBAQPJJD-UHFFFAOYSA-N 349.386 4.027 0 40 EIAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 3602708 NCINPMIPGZEHDQ-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB Cc1ccc(NC(=O)CSc2ccccc2)c(Br)c1 3613339 SQYBNDBQPLSXED-UHFFFAOYSA-N 336.254 4.488 0 40 EIAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccco1 4176322 FISZZIYIDXQPIF-UHFFFAOYSA-N 327.390 4.265 0 40 EIAB CC(C)c1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 4728091 GQFPKFYHFNJTHQ-KRWDZBQOSA-N 347.414 4.103 0 40 EIAB Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCO4)cc12 4902019 SELJUAHTMXFDNO-UHFFFAOYSA-N 346.342 4.270 0 40 EIAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1nc2ccccc2[nH]1 6664263 BEEJYTNBDSSJRE-LBPRGKRZSA-N 339.826 4.125 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8049920 DMSGUONXZKBBJI-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB COc1ccc2oc(C(=O)Nc3cc(C(=O)O)ccc3Cl)cc2c1 8166166 FIWFHIXZBJETGH-UHFFFAOYSA-N 345.738 4.045 0 40 EIAB COc1ccc(OC)c2c1[C@@H](c1cccc(N)c1)O[C@H]1CCCC[C@H]21 8783559 BVMLGIDRODFNIZ-CKJXQJPGSA-N 339.435 4.432 0 40 EIAB O=C(Nc1nonc1-c1ccccc1)c1ccc(Cl)cc1Cl 8868577 VXXNETJXULZOEN-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2ccc(F)cc12 9134428 BSEVOOVBUXZKRW-SECBINFHSA-N 328.343 4.245 0 40 EIAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc2ccccc2o1 11613473 GNUQWUASRZCJRA-UHFFFAOYSA-N 336.322 4.157 0 40 EIAB CSc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 12039772 AJTITWISLYNSOB-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB O=C(CCCc1ccncc1)NC1(c2cccc(F)c2)CCCC1 12148409 KLCKFSAUEVYQAA-UHFFFAOYSA-N 326.415 4.129 0 40 EIAB Cn1c(Cl)cnc1CN1CCc2sccc2[C@@H]1c1cccs1 12903165 HGQNEJFXDWTXSF-MRXNPFEDSA-N 349.912 4.344 0 40 EIAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 12979270 GHGRDEVHEWVBOP-OAHLLOKOSA-N 331.419 4.241 0 40 EIAB CN(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 14200205 LTZLWFDMBRPTPE-UHFFFAOYSA-N 334.347 4.174 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 15079872 PPXUTNAGDUANNW-UHFFFAOYSA-N 339.313 4.365 0 40 EIAB Fc1cc(F)cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 19346897 HCDMZZFXIXGGFR-HNNXBMFYSA-N 327.378 4.221 0 40 EIAB CC1(C)CCCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 20484843 VKUGPJUQMITYHA-UHFFFAOYSA-N 345.464 4.290 0 40 EIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2o1 24831919 UUSCXDBBIHGSHY-JTQLQIEISA-N 329.787 4.229 0 40 EIAB CC(C)c1noc(CSc2nc(C3CC3)nc3ccccc23)n1 25051395 BEGFERVPDDDDCP-UHFFFAOYSA-N 326.425 4.306 0 40 EIAB COCc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 25334903 QVOMYXGOOAAWMA-UHFFFAOYSA-N 333.815 4.283 0 40 EIAB CCC[C@@H](C(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 25562295 JUSYZCSBLWQLDA-IAGOWNOFSA-N 330.497 4.051 0 40 EIAB Fc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222583 KMEOCVZWLYKPBM-FQEVSTJZSA-N 335.426 4.238 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCC2)no1 27940732 RVWJRURMDGDARJ-CYBMUJFWSA-N 348.472 4.031 0 40 EIAB Cc1ccc(Cl)cc1-n1ncc2c(NC3CCCC3)ncnc21 28405991 VWJBOSDZDXEJNO-UHFFFAOYSA-N 327.819 4.132 0 40 EIAB CCN1CCN(c2ccc(NC(=O)CC3CCCCC3)c(C)c2)CC1 29373782 JJTQQQIKFCEBAP-UHFFFAOYSA-N 343.515 4.046 0 40 EIAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 30943982 YRZXQJKBSUWRHC-LJQANCHMSA-N 328.500 4.128 0 40 EIAB CCn1c(CNc2ncnc3c2oc2ccccc23)nc2ccccc21 32743516 GAUVGSPRQVGVIE-UHFFFAOYSA-N 343.390 4.358 0 40 EIAB Cc1cc(C)n(-c2ccc(CCNC(=O)CCC3CCCC3)cc2)n1 32930414 JRZBRACFDVMSHJ-UHFFFAOYSA-N 339.483 4.118 0 40 EIAB Cc1nc(C2CC2)nc2sc(-c3nc(-c4ccccc4)no3)c(N)c12 32932325 AICTWJIEYILBPJ-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB C[C@H]1CC[C@]2(CO)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 33831555 PHKSUFCCGLWIMC-KTGNWYGMSA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro CSc1nc(-c2ccco2)nc(C)c1C(=O)NC1CCC(C)CC1 40050034 OMVRVJONNCAXNK-UHFFFAOYSA-N 345.468 4.075 0 40 EIAB C[C@@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@H]1CCCO1 40072577 NQQVHHNBDOLNJV-IUODEOHRSA-N 325.437 4.338 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(C)C 41095161 BKUOTRHRVVDCQX-OAHLLOKOSA-N 347.480 4.248 0 40 EIAB C[C@@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 42485052 QXHBJDWLAWFQCG-QGZVFWFLSA-N 347.462 4.217 0 40 EIAB CC1=NN(c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)CC1 48260393 XFVGICAOOOTQTH-UHFFFAOYSA-N 347.462 4.124 0 40 EIAB COc1ccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)n[nH]2)cc1 51315887 GUMCNLRDKWPYTE-UHFFFAOYSA-N 349.434 4.139 0 40 EIAB Fc1cccc(Cl)c1CN(Cc1nnsc1Cl)C1CC1 53143700 NPPVTRMKHHULEI-UHFFFAOYSA-N 332.231 4.149 0 40 EIAB O=C(Nc1ccccc1)C1CCN([C@@H]2CCCc3ccccc32)CC1 58007392 PEZSGEQJTCZHIL-OAQYLSRUSA-N 334.463 4.415 0 40 EIAB Cc1ccccc1C[S@](=O)Cc1nc(-c2ccc(Cl)cc2)no1 58415854 FEYSNEWJRNSHCS-HSZRJFAPSA-N 346.839 4.147 0 40 EIAB COC(=O)c1cc(OCc2cccc(Cl)c2)c2cc(F)ccc2n1 65033339 AKZPGNCJTYMTSN-UHFFFAOYSA-N 345.757 4.393 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)C[C@@H](C)C2CC2)nc2ccccc21 65592101 LZOVLYBHHPAYSE-KDOFPFPSSA-N 325.456 4.156 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1ccc(C(C)C)cc1 69350449 WJOSKSJDZPBZIL-AWEZNQCLSA-N 331.485 4.280 0 40 EIAB Cc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)sc2cccc(F)c12 69656630 GYWNHUIVYHICID-ZDUSSCGKSA-N 343.427 4.023 0 40 EIAB Cc1nc(N(C)Cc2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224434 YNQPVJXWVVPZCI-UHFFFAOYSA-N 341.455 4.051 0 40 EIAB Cc1nc(C(C)C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 74629228 ZVMAQQWXLSORNQ-UHFFFAOYSA-N 327.453 4.029 0 40 EIAB biogenic Cc1nnc([C@@H](C)Nc2cccc(COCCc3ccccc3)c2)o1 79030016 CCGLLASIIAPHNC-OAHLLOKOSA-N 337.423 4.310 0 40 EIAB Oc1cccc2c1CC[C@H]2NCc1cnc(-c2cccs2)s1 83455498 XBTXINYRECFQFJ-CQSZACIVSA-N 328.462 4.354 0 40 EIAB C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 84651629 PEHSZQSXMONZJG-OWJWWREXSA-N 348.512 4.017 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@H]1CSc2ccccc21 95398484 LLHORLVBIOEIFH-AZUAARDMSA-N 346.455 4.177 0 40 EIAB CCSc1ccccc1C(=O)NC[C@H](OC)c1ccc(C)s1 96104704 ZJHRRTAFCLMQGN-AWEZNQCLSA-N 335.494 4.286 0 40 EIAB CCCCc1c(C)nc(-c2ccc(Cl)cc2)nc1N1CCOCC1 96194202 MTWSXRXBHHJAAE-UHFFFAOYSA-N 345.874 4.285 0 40 EIAB CCn1c([C@H](C)Nc2nc(C(C)(C)C)ns2)nc2ccccc21 97165406 BINAVISYTVUZBJ-NSHDSACASA-N 329.473 4.378 0 40 EIAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](C)C2 102606984 IDNGCYIMAWTMQX-MNXVOIDGSA-N 347.480 4.034 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1(C)C 106863811 QYUAOULWNVCYBT-VBSBHUPXSA-N 340.511 4.177 0 40 EIAB CC(C)(C)OC(=O)c1ccc(Br)c(C(F)(F)F)c1 124463921 WETORNGZFRIBPL-UHFFFAOYSA-N 325.124 4.423 0 40 EIAB Cc1oc2ccc(NC(=O)c3cccc(C[S@@](C)=O)c3)cc2c1C 186781129 MYGYNYBAEKYJMZ-XMMPIXPASA-N 341.432 4.180 0 40 EIAB COc1ccc(C)cc1CNc1ccc(Cl)c(C[S@](C)=O)c1 195559006 LSLXQXJJQMHESI-QFIPXVFZSA-N 337.872 4.148 0 40 EIAB COC(=O)CC1CCC2(CCc3cc(Br)ccc32)CC1 212419654 HTNQDRBMDLSSBE-UHFFFAOYSA-N 337.257 4.386 0 40 EIAB in-vitro COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 216891328 KMJQQWJVEABKBE-CMDGGOBGSA-N 346.810 4.422 0 40 EIAB CC1(C)C[C@H](NC(=O)COc2ccccc2Cl)c2ccccc2O1 218849351 RUNHXIPNNURQBL-HNNXBMFYSA-N 345.826 4.137 0 40 EIAB CCCOc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 218981507 LRJYWRCFXYAISZ-UHFFFAOYSA-N 331.843 4.491 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2ccc(C)cc2C)cc1 223399888 SYTLRGOQHRWTNU-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C 224444404 OBGHGQAJLPEARA-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)cc3)s2)cc1 225059631 PLLVLEQFBGTUIU-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB CCCSc1nnc(NC(=O)Cc2ccc(Cl)cc2F)s1 225425888 SZJNFVWDVUFGKZ-UHFFFAOYSA-N 345.852 4.014 0 40 EIAB CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(N)c1 226359600 MWDQBVSTVQYTII-UHFFFAOYSA-N 336.844 4.052 0 40 EIAB Cc1ccccc1-c1cccc(CN2CCC[C@@H](Cn3ccnn3)C2)c1 538798972 IIVQQLSLAGISLQ-HXUWFJFHSA-N 346.478 4.166 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCC(Oc2ccsc2)CC1 575618876 JMQOTBGFOAJJJC-UHFFFAOYSA-N 327.858 4.147 0 40 EIAB O=C(O)Cc1ccc(Cl)c(Nc2ccccc2Br)c1 1857793629 JKFQPXGORVPUQH-UHFFFAOYSA-N 340.604 4.473 0 40 EIAB O=C(Nc1ccc(Br)cn1)c1ccc2ccccc2c1 293855 FPBSNXMFWTYWOZ-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB CSc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)c1 422976 DFQHEZFHBUPLCX-QAPCUYQASA-N 326.421 4.178 0 40 EIAB CCSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 527421 KHGUEROQGRRCPC-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 1460371 UTDSQWMVJVGIGA-HOTGVXAUSA-N 345.446 4.415 0 40 EIAB CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc5c(c4)OCO5)coc23)O1 1608495 WVHJQUXAKZCXEP-UHFFFAOYSA-N 348.354 4.373 0 40 EIAB biogenic COc1ccc(Cl)cc1NC(=O)Cc1c(F)cccc1Cl 2619855 DMLQMSDASLTKTH-UHFFFAOYSA-N 328.170 4.322 0 40 EIAB COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 3135988 BVVMFXIMQUKQRZ-UHFFFAOYSA-N 339.178 4.424 0 40 EIAB CN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2 5051269 QOCYPFZMUNMKFR-UHFFFAOYSA-N 325.389 4.173 0 40 EIAB COc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 6277829 QBCASDHWWQZKOK-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB CCN(CC)CCCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 6381925 UGSIHPYVIZOQIU-JOCHJYFZSA-N 340.511 4.301 0 40 EIAB CCc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C 6790790 BWVQJXWDZCDJJJ-UHFFFAOYSA-N 338.451 4.175 0 40 EIAB COC(=O)c1cccc2c1N[C@@H](c1ccccc1F)[C@H]1CCCO[C@@H]21 6950759 VMLGBSFZCMYPPN-LJHODMEESA-N 341.382 4.247 0 40 EIAB CSc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1 7060013 GFEROHXGWRIUAG-UHFFFAOYSA-N 332.425 4.339 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)s1 7392187 DVNPTDAVSNOMDT-UHFFFAOYSA-N 334.397 4.221 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cccs1 7405708 MZICQCCNLDKADD-UHFFFAOYSA-N 341.763 4.221 0 40 EIAB Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)n1 7616295 YZDCNUNTIBOMMV-LLVKDONJSA-N 326.227 4.397 0 40 EIAB COc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 7918677 WAUFVRXQLWFTHU-UHFFFAOYSA-N 342.395 4.295 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccccc2)no1 8060493 BDPPPASRIIQVOC-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB COc1ccc(CN(CC(=O)c2c[nH]c3ccccc23)C2CC2)cc1 8922568 CXOCKFIISWCVMQ-UHFFFAOYSA-N 334.419 4.024 0 40 EIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1 9183648 KPURPFAEDQFTOF-UHFFFAOYSA-N 342.782 4.321 0 40 EIAB O=C(CSCc1nc2ccccc2s1)Nc1cccc(F)c1 11102207 ICGMGZIHOZZLJP-UHFFFAOYSA-N 332.425 4.307 0 40 EIAB CCn1c(C)cc2cc(NC(=O)CCn3nc(C)c(C)c3C)ccc21 12148357 RVCHAQIYUDPXCR-UHFFFAOYSA-N 338.455 4.120 0 40 EIAB O=C(OCc1cc(-c2ccccc2)on1)c1c[nH]nc1-c1ccccc1 12548242 TVWMNMYYLSMYRF-UHFFFAOYSA-N 345.358 4.089 0 40 EIAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1[C@H](C)CC 12683520 LEBQMMBJJZMGTI-CQSZACIVSA-N 334.419 4.265 0 40 EIAB CCc1cccc(CC)c1NC(=O)C[C@](C)(C(=O)O)c1ccccc1 12694589 LIUDDXZXUFURRG-NRFANRHFSA-N 339.435 4.183 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccsc1 12764387 KSURBUVCSBXMEW-UHFFFAOYSA-N 336.388 4.326 0 40 EIAB CC(C)c1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1 13721122 ZBXPBPCERREAMP-UHFFFAOYSA-N 325.343 4.251 0 40 EIAB Cc1cc(C)c(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)c(C)c1 14252002 XWUVPNUFCVDEQX-UHFFFAOYSA-N 337.529 4.495 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)c1 15567423 YSNSFJSWCHWUSC-UHFFFAOYSA-N 336.391 4.355 0 40 EIAB CCOc1ccc2nc(-c3cc(NC(C)=O)ccc3O)sc2c1 15962534 XNQPJHIWVOZVHG-UHFFFAOYSA-N 328.393 4.026 0 40 EIAB CC(CNC(=O)Cc1cccc(F)c1)(c1ccccc1)c1ccccc1 16966909 UDEYNRWWWFNXPQ-UHFFFAOYSA-N 347.433 4.491 0 40 EIAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c2c(C)nn(C(C)C)c2n1 17071810 RGMGRTOXMYTDEM-UHFFFAOYSA-N 344.365 4.160 0 40 EIAB O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1F 17198197 UVLWIHOXQWQKLX-OAHLLOKOSA-N 325.767 4.397 0 40 EIAB Clc1ccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 19344676 BYSSWFVSPHEAGX-CYBMUJFWSA-N 345.855 4.441 0 40 EIAB Cc1cccc(CSCCNC(=O)Cc2cc(C)ccc2C)c1 20459045 BNLMYRZDZQCWDI-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB OC1=Nc2n[nH]cc2[C@H](c2cccc(OC3CCCC3)c2)SC1 20745046 IYIGMVQGYSMSNZ-INIZCTEOSA-N 329.425 4.155 0 40 EIAB CCN(CC)CCNCc1ccccc1OCc1ccccc1Cl 22075025 PDOOEEMXHIUEDK-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB C[C@@H](Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1)c1ccccc1 22459545 OXCYMPDGNOVLQA-LLVKDONJSA-N 336.420 4.153 0 40 EIAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccccc1 23177442 MAWBBMXHQZFVCK-UHFFFAOYSA-N 339.420 4.231 0 40 EIAB O=C(/C=C/c1cccs1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27385662 LBAGSBRBHQCEOV-ATWMFIQVSA-N 338.432 4.309 0 40 EIAB O=C(NCCCSc1ccccc1)[C@@H]1Cc2ccccc2S1 31355294 VNYOLXATMITBEG-KRWDZBQOSA-N 329.490 4.002 0 40 EIAB CCC(C)(C)NC(=O)CSc1cc(C)c(Br)cc1C 32720141 JADTXTRHMUDMRE-UHFFFAOYSA-N 344.318 4.463 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)CSC[C@H]1CC1(Cl)Cl 32772162 IGFGJRVPZFWPEH-VXGBXAGGSA-N 332.296 4.099 0 40 EIAB COc1ccccc1-c1cc(C(=O)Nc2ccc3ccccc3n2)no1 32830295 BANPYECHTLYXLD-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CN(C)c1ccc(NC(=O)CCc2cccs2)c(C(F)(F)F)c1 32832475 BYVNVRXHZKYGDX-UHFFFAOYSA-N 342.386 4.404 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)cc1 36357806 OVQGLQGZOCEVRN-INIZCTEOSA-N 337.354 4.144 0 40 EIAB Cc1ccc(OCc2nnc3sc(-c4ccc(C)cc4)nn23)cc1 36645999 IIPHGZHYIHFQDY-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB CCc1ccc(C(=O)N(C)c2ccc(Oc3ccc(C)nn3)cc2)cc1 38670811 PPIPIIPIGGVJCB-UHFFFAOYSA-N 347.418 4.416 0 40 EIAB CN(Cc1csc2ccccc12)C(=O)c1cnc2ccccc2n1 46921644 GBSSWYUOYJWFRS-UHFFFAOYSA-N 333.416 4.117 0 40 EIAB O=C(N[C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccncc1 58115490 QZWAYOBLNLNMLO-HNNXBMFYSA-N 335.432 4.013 0 40 EIAB O=C(NCCc1cccc2cccnc12)Nc1cccc2c1CCCC2 58378129 ZQRYLFZVISMCLK-UHFFFAOYSA-N 345.446 4.478 0 40 EIAB CN(C(=O)Nc1ccccc1)[C@@H](c1ccc(F)cc1)c1cccnc1 65523399 GACLUALTNWNJQF-IBGZPJMESA-N 335.382 4.474 0 40 EIAB C[C@H](c1nc(C(C)(C)C)no1)N1CCC(OCc2ccccc2)CC1 69530586 IQHXCCFDICJIGV-OAHLLOKOSA-N 343.471 4.109 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCCCC[C@H]1c1ccncc1 71798119 MJWIAZBERXVJPX-HNNXBMFYSA-N 349.356 4.253 0 40 EIAB CCSc1ccc([C@H](C)NC(=O)N(C)Cc2ccncc2)cc1 71803474 FSBIITSHLFRMGJ-AWEZNQCLSA-N 329.469 4.096 0 40 EIAB CCN(CC)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 71841849 MRPCXRPYRZSTKE-UHFFFAOYSA-N 333.819 4.188 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)c2sccc2SC)cc1 71884151 BPNHVHMXNINFRB-UHFFFAOYSA-N 336.438 4.291 0 40 EIAB Cc1cc2c(cc1C)[C@@H](N(C(=O)CCOC(C)C)C1CC1)CCCO2 76093393 UELICCNBOJQZPH-IBGZPJMESA-N 345.483 4.323 0 40 EIAB Cc1cc(Cn2cc(Br)c(-c3ccc(C)c(C)c3)n2)no1 84180966 SSABRYIJTXTXLL-UHFFFAOYSA-N 346.228 4.274 0 40 EIAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc2ccc(O)cc12 95431484 IDTBXDSXXPOXAA-NSHDSACASA-N 343.329 4.230 0 40 EIAB Cc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 96006641 FJHNVSWXLGEAAT-UHFFFAOYSA-N 345.324 4.452 0 40 EIAB Cc1ccc2cccc(C(=O)N3CCC[C@H](O)c4ccccc43)c2n1 96012149 PODHTISOUURFOA-IBGZPJMESA-N 332.403 4.017 0 40 EIAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1cccs1 206720357 LBRNANYJQPABAI-UHFFFAOYSA-N 343.383 4.339 0 40 EIAB COc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 211501432 GKEIVCTYAMAGGL-GDNBJRDFSA-N 327.361 4.054 0 40 EIAB Fc1ccc(NC(=S)NCCSC2CCCCC2)c(F)c1 225357701 VANIBBXRGZXNMH-UHFFFAOYSA-N 330.469 4.317 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1 225639743 WKWMPDZSPDAYMN-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB COc1cc(C)c(C(=O)NCCCc2ccccc2)cc1C(C)C 225661323 GTJOMCRNCKMCBK-UHFFFAOYSA-N 325.452 4.490 0 40 EIAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225883735 ZGKIGQMSHHCNIF-HXUWFJFHSA-N 344.455 4.412 0 40 EIAB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)c2ccccc21 409119286 SOWLSEBDHPLJBH-ZROIWOOFSA-N 343.810 4.264 0 40 EIAB CC(C)[C@H](NCc1ncccc1Cl)[C@@H](O)c1ccc(Cl)cc1 528561323 QIEWCORJUPEDJB-IRXDYDNUSA-N 339.266 4.236 0 40 EIAB Clc1cnn(CC2CN(C(c3ccccc3)c3ccccc3)C2)c1 1889258107 URQJRHGSNRWPMJ-UHFFFAOYSA-N 337.854 4.258 0 40 EIAB O=C(c1cnn(-c2ccccc2)c1)c1cc(Cl)cc(Cl)c1O 57707 IOXLIMVYDRGNIK-UHFFFAOYSA-N 333.174 4.116 0 40 EIAB Cc1nn(C(=O)c2ccncc2)c(C)c1Sc1ccc(Cl)cc1 89502 OLOXDRRFGMHPJK-UHFFFAOYSA-N 343.839 4.388 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 349488 SWTYHSVABMZPTF-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1C(C)C 359631 GKWPPTVFWNTEGJ-UHFFFAOYSA-N 342.464 4.010 0 40 EIAB Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1 429800 YZQBEHJFOUBTLN-UHFFFAOYSA-N 348.431 4.327 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 509723 LDBIZLOYUIKBNA-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CCOc1ccc2[nH]c3c(NCc4ccccc4OC)ncnc3c2c1 543775 UDNOEXBGXABDHV-UHFFFAOYSA-N 348.406 4.131 0 40 EIAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(C[C@@H](F)C(=O)C4)[C@H]3CC[C@@]21C 1639671 WVBCLXPZFRTXNR-MSWUERMQSA-N 334.431 4.152 0 40 EIAB CCCCCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 2111342 PHXAHNHFSUYNBQ-WIYYLYMNSA-N 345.483 4.023 0 40 EIAB biogenic COc1ccc2c(CCNC(=O)c3cccc4ccccc34)c[nH]c2c1 2229633 MGKFXQXPJZODPE-UHFFFAOYSA-N 344.414 4.302 0 40 EIAB O=C(c1cccc(Br)c1)c1ccccc1CN1CC=CC1 2515886 SEOBFOHKAQYQKQ-UHFFFAOYSA-N 342.236 4.052 0 40 EIAB CCN(CC)CCCNC(=O)c1sc2cc(F)ccc2c1Cl 3208387 HMNZBYPKUZJBSE-UHFFFAOYSA-N 342.867 4.156 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)n1 3236117 WZEAFPGIRMOSPL-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB COc1ccc(OCCOC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 3437722 UUQQJNXMQZJZDM-UHFFFAOYSA-N 339.391 4.029 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 3472642 SEPDKCLBJXGRNK-UHFFFAOYSA-N 335.407 4.140 0 40 EIAB COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1OC 3565556 PPHKDOVERHYAPA-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1 4322974 PLEHPALDSZESEI-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB CC(=O)COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340110 YCNUAOJVKYGGBF-UHFFFAOYSA-N 342.778 4.390 0 40 EIAB biogenic CCCC[C@@H](CC)CNS(=O)(=O)c1cc(Cl)ccc1Cl 4659136 VVYGRXJWHDHGLU-LLVKDONJSA-N 338.300 4.488 0 40 EIAB O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccccc1F 4854253 SYLAQGFZQZKVFF-IBGZPJMESA-N 335.382 4.264 0 40 EIAB Cc1ccc(C)c(CSc2nnc([C@@H](N)Cc3ccccc3)o2)c1 5070465 HJCATHPGKOKIQB-KRWDZBQOSA-N 339.464 4.221 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1 6048910 WPXDOYPCODKERA-UHFFFAOYSA-N 326.436 4.246 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 6235823 UFAIGEKBXPKAPK-UXBLZVDNSA-N 329.783 4.087 0 40 EIAB COc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 7668536 YOZBAFKONQJVGR-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(OC(C)C)c1 8479486 NFBNINJLEHOXGT-QGZVFWFLSA-N 331.387 4.409 0 40 EIAB CCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 8845108 WGJOQJSQFDHTPA-QGZVFWFLSA-N 339.483 4.343 0 40 EIAB CN(C)C(=O)[C@H](Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 9217432 WUPMUZBCHHXGNV-OAHLLOKOSA-N 345.855 4.138 0 40 EIAB Cc1noc(C)c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 9498705 BMHGSMDSIKAOGX-UHFFFAOYSA-N 334.419 4.027 0 40 EIAB O=C(c1ccccc1F)N(C(=O)N1CCCCC1)c1ccccc1 10254455 RCNYFWHTRIMWDM-UHFFFAOYSA-N 326.371 4.078 0 40 EIAB Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)C2CC2)cc1 11234070 UZMGNSQAWSTKRE-LJQANCHMSA-N 329.827 4.295 0 40 EIAB CC1(C)C[C@H](N(Cc2ccco2)C(=O)Oc2ccccc2)CCO1 12297121 ASGSARYRWXVQDF-OAHLLOKOSA-N 329.396 4.238 0 40 EIAB biogenic COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(C)cc4)o3)oc12 12515527 UKICEANSVZAXLF-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB COc1cccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 12523491 CKSFTKUEMLKVNI-TWLJRWAQSA-N 344.414 4.009 0 40 EIAB CC(C)c1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1 13653598 UWYCCKIINGJRBB-UHFFFAOYSA-N 341.436 4.027 0 40 EIAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4Cl)n3)cc2c1 13778039 FYRDABHFRQYJPG-UHFFFAOYSA-N 337.766 4.207 0 40 EIAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccsc2)cc1 15370666 HYYOJYIKLANYCP-MRXNPFEDSA-N 344.524 4.256 0 40 EIAB COc1cccc(NC(=O)CSc2nccn2C2CCCCC2)c1 15825333 HSYCZNKNMXRKMJ-UHFFFAOYSA-N 345.468 4.128 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1nc3ccccc3o1)C2 16743576 ZOJYAXVXZMFELB-YFROIQMUSA-N 344.480 4.251 0 40 EIAB O=C(Nc1nncs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 21213445 KQUCBRLRCTUBNK-UHFFFAOYSA-N 339.298 4.069 0 40 EIAB COc1ccccc1NC(=O)c1ccc(COCC(F)(F)F)cc1 22192338 UGMYRIXPMANUEV-UHFFFAOYSA-N 339.313 4.026 0 40 EIAB CCn1c(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2C)c1C 25034931 VJJGSHZNRVWENV-UHFFFAOYSA-N 325.456 4.286 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1 27740212 SATQFJCISSIVCJ-OAHLLOKOSA-N 336.391 4.364 0 40 EIAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1N1CCCC1 28009714 VIZLTZKXOOVJSN-UHFFFAOYSA-N 347.418 4.123 0 40 EIAB O=C(CCCc1nc2ccccc2o1)NCc1ccc(Cl)cc1 31807619 MVAWNZDKTGNIKO-UHFFFAOYSA-N 328.799 4.120 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)NC1CCCCC1 33566924 MPVHSPALSHUELZ-UHFFFAOYSA-N 343.471 4.157 0 40 EIAB CSc1cccc(NC(=O)c2snnc2-c2ccccc2)c1 36354074 PUJCKASSPQZISB-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB CC(C)c1c(C(=O)NCCC2=CCCCC2)cnn1-c1ccccn1 40088749 XMIDGUNHPPLCFM-UHFFFAOYSA-N 338.455 4.011 0 40 EIAB COc1ccccc1CNC(=O)N[C@@H](c1cccs1)C(C)(C)C 40150029 SVYQJMYLJSCXGD-INIZCTEOSA-N 332.469 4.343 0 40 EIAB C[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 46151902 KPJUWFOQXSJFBQ-CYBMUJFWSA-N 345.395 4.157 0 40 EIAB O=C(CC1CCCC1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 58357652 MHMGRHWYOFJBSO-UHFFFAOYSA-N 328.437 4.264 0 40 EIAB CCn1c(CSc2nnc(C(C)(C)C)o2)nc2cc(F)ccc21 66256563 XTKUXKOGBGZEKV-UHFFFAOYSA-N 334.420 4.168 0 40 EIAB O=C(Nc1cccnc1)c1ccc(Oc2ncnc3sccc23)cc1 68999367 NWDFZBAOMYFPGU-UHFFFAOYSA-N 348.387 4.131 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3cnco3)cc2)s1 71883124 BTKZFUZNCWOYQZ-GFCCVEGCSA-N 341.436 4.248 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C 72214798 HQOAUVHRTRPPBU-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1C 72227885 QAEKGBLJTWGMJU-CVEARBPZSA-N 335.234 4.025 0 40 EIAB C[C@@H](CCc1cccn1C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 72296942 VBZZWGUEIIEPQV-HNNXBMFYSA-N 344.886 4.238 0 40 EIAB Cc1noc(C)c1-c1nc(N2CCC[C@@H](C)C2)ncc1-c1ccncc1 72342854 WOLGXTBOZHLEJO-CYBMUJFWSA-N 349.438 4.047 0 40 EIAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 79103220 UYBWHBHVIAGPAK-BZNIZROVSA-N 338.234 4.235 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc(F)c4)cc3c2C1 95349375 FXOCMTWKZPXAKV-ZDUSSCGKSA-N 336.410 4.362 0 40 EIAB CC(C)(CCCO)CNc1ccc2cccc(Br)c2n1 95458796 HEXPENJGADXEQG-UHFFFAOYSA-N 337.261 4.208 0 40 EIAB CC1(C)CC(=O)Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 96183010 MFRVWDHABWTSPI-UHFFFAOYSA-N 342.826 4.141 0 40 EIAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](CCO)C3)cc2)c1 96462382 IPNLSXVBGFZXAI-MRXNPFEDSA-N 340.423 4.024 0 40 EIAB S=C1N[C@@H]2/C(=C\c3ccccc3)CCC[C@H]2[C@@H](c2ccccc2)N1 104842289 GKAOLMKVJJNZGU-WGVWVXBDSA-N 334.488 4.458 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 113970124 YQOXSGWPBVTBRB-HXUWFJFHSA-N 341.451 4.176 0 40 EIAB CCc1nc(C)c([C@H](C)NCc2ccc(F)c(CN(C)C)c2)s1 120829854 ILXZLPJQJPNHQB-LBPRGKRZSA-N 335.492 4.065 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223209399 ABPIZLVXJYKDCR-ZIAGYGMSSA-N 343.854 4.473 0 40 EIAB COC(=O)c1ccc(CN2c3c(OC)cccc3[C@@H](C)CC2(C)C)o1 223231775 QNPADRBNXQOTIW-ZDUSSCGKSA-N 343.423 4.367 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)C2(c3ccccc3)CCCC2)c1 224110754 FDIFFENOOZZCSW-UHFFFAOYSA-N 337.463 4.310 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C 224622283 XQFUCDUPCRCGQN-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCC 224706979 GBGHAZRGAYTKRE-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB COc1ccc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225091527 JUNMSJUEAVFSSI-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB O=C(c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)N1CCCC1 225253290 DJXUFQGPTUXGQA-UHFFFAOYSA-N 325.799 4.119 0 40 EIAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(F)(F)F 225806989 NMCASVLNAOZNPU-BDJLRTHQSA-N 345.361 4.248 0 40 EIAB CCn1c(-c2ccccc2)csc1=Nc1ccc(NC(C)=O)cc1 254517250 DVEPDEZIUMMEQU-UHFFFAOYSA-N 337.448 4.427 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2F)O[C@@H]2CCCC[C@@H]12 257311894 ULLIZVHBWWKVJJ-RKTXRCNFSA-N 325.811 4.004 0 40 EIAB CO[C@@H](C)c1nc(C)c(C(=O)NC2(c3cccc(F)c3)CCC2)s1 648515840 CXWHKDPLHKAEOF-LBPRGKRZSA-N 348.443 4.107 0 40 EIAB O=C(NC1CC2(CCN(Cc3ccccc3)CC2)C1)OC1CCCC1 2056225774 BKDIVNTVSZOJGK-UHFFFAOYSA-N 342.483 4.100 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1C 42703 CXSGIAOOFDJGQD-UHFFFAOYSA-N 337.828 4.447 0 40 EIAB O=C(NCc1cccnc1)[C@H](Sc1ccccc1)c1ccccc1 253831 NFJUTOULMNMASO-LJQANCHMSA-N 334.444 4.231 0 40 EIAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCc2ccccc21 255716 HBRUAWZQFRHYCH-UHFFFAOYSA-N 342.247 4.135 0 40 EIAB COc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 362312 KXJRVWMYTZMXQJ-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Clc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 385276 VUQFRKFPNCGJCT-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB CC(C)CCOc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1 2333993 WHNQXYNYOAJMEN-UHFFFAOYSA-N 342.439 4.045 0 40 EIAB O=C(c1ccc(I)cc1)c1ccccc1Cl 2392542 CCYWIUYLHBLQIK-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB CCOC(=O)c1cccc(C(=O)CCc2cc(F)cc(Cl)c2)c1 2517742 UELNOJJHMKLXEC-UHFFFAOYSA-N 334.774 4.471 0 40 EIAB CCc1ccc(C(=O)COC(=O)Cc2cccc3ccccc23)cc1 3304147 AJLXWRZFUTUUKR-UHFFFAOYSA-N 332.399 4.371 0 40 EIAB Cc1cccc(NC(=O)CSc2ccc(Br)cc2)c1 3441624 IWZUSCQZFXIVML-UHFFFAOYSA-N 336.254 4.488 0 40 EIAB Cc1nc2ccc(NC(=O)c3ccc4ncsc4c3)cc2s1 4088335 LLRXERJRESFUDV-UHFFFAOYSA-N 325.418 4.467 0 40 EIAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)cc1 4167324 ZGCZGTWJKDDLCE-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB CCc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 4315748 DTMSNQIPTWDYLD-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB CCc1ncc([C@@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 5502424 ZGLZHMPMIUHKKJ-FQEVSTJZSA-N 340.854 4.403 0 40 EIAB O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(F)cc1 6650767 SNZNWHNOYQSUQT-UHFFFAOYSA-N 337.394 4.105 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1Cl 8050656 RWXXBIYPZQEYQX-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)cc1 8316665 LYPBFEGZOSHYCA-INIZCTEOSA-N 348.446 4.307 0 40 EIAB S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1[C@@H]1C[C@H]2CC[C@@H]1C2 8996475 OSFZORVBUDRRDS-NORZTCDRSA-N 337.452 4.359 0 40 EIAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 9063559 FSHYWWBZPFJAFN-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB C[C@H](Cc1nnc(NC(=O)c2cccs2)s1)c1ccccc1 9095388 HOIKOCHZQOGIET-LLVKDONJSA-N 329.450 4.198 0 40 EIAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc(OC)c1 9958041 LTFCYYHSVZGUOX-CTDFXDFQSA-N 337.419 4.081 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10971711 PRGQCCATJHUWTI-NOZJJQNGSA-N 340.370 4.347 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2 11510409 TUIBONFQAYYNNS-UHFFFAOYSA-N 335.394 4.121 0 40 EIAB Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc1C 11916128 RYJPDCOILQHEGY-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1-c1ccc(Cl)cc1 12421724 PXKZSZOETXKDIU-UHFFFAOYSA-N 335.794 4.318 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccc(-c2nnco2)cc1 12684492 YIWGAJDTSGWNSJ-CYBMUJFWSA-N 347.374 4.177 0 40 EIAB COc1cc(NC(=O)C2(c3ccccc3)CC2)c(OC)cc1Cl 13002599 WSGDOHJZRKHMCD-UHFFFAOYSA-N 331.799 4.028 0 40 EIAB COc1cc(NC(=S)Nc2cccc(Cl)c2C)cc(OC)c1 13790064 ABQBREFMYIVLIP-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB Cn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21 16309340 IZRWGYOZUDYUCW-LJQANCHMSA-N 344.418 4.032 0 40 EIAB Cc1ccc2oc(-c3ccc(I)cc3)nc2c1 16348426 IYUGLHWJTHWKDS-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1Cc1csc(-c2ccc3c(c2)OCO3)n1 17067850 AFCRRNYVMAZKBE-CHWSQXEVSA-N 330.453 4.302 0 40 EIAB Cc1nc([C@@H](C)Cn2nc(C)c(C)c2C)cc(N2CCCCCC2)n1 19717953 LISOOSPEGUVZKY-AWEZNQCLSA-N 341.503 4.091 0 40 EIAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 20001383 OAWJXMXFOAGNAO-UHFFFAOYSA-N 329.396 4.194 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(Cl)c1)NCC2 20506863 ZIJUKVHWGJPCTK-IBGZPJMESA-N 331.843 4.373 0 40 EIAB CN1CCN(CC[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 20590846 XKKQWHDMZSAMNH-FQEVSTJZSA-N 328.887 4.109 0 40 EIAB C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 21797292 PXLUQLCGDKGGTR-ZDUSSCGKSA-N 325.799 4.017 0 40 EIAB CCCc1ccc([C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(C)C)cc1 22847351 JJJJNAVJWWZSHB-IBGZPJMESA-N 346.515 4.005 0 40 EIAB CN(C)[C@@H](CNc1ncnc2c1oc1ccccc12)c1ccccc1 23709132 VLNWQBRWOBFNBM-INIZCTEOSA-N 332.407 4.091 0 40 EIAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3OC)sc2n1 26157082 WBSQGWJXBGYMPC-UHFFFAOYSA-N 341.436 4.131 0 40 EIAB COc1ccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1 28220217 IXHJYOOJAOMEME-UHFFFAOYSA-N 342.786 4.178 0 40 EIAB O=C(NCc1ccccc1)c1ccc(COc2ccc(Cl)cc2)o1 28576569 MJLPQGUGQYNXNE-UHFFFAOYSA-N 341.794 4.442 0 40 EIAB CN(C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1 29507285 XAMVTZUNNDDDHG-UHFFFAOYSA-N 333.362 4.333 0 40 EIAB CC(=O)Nc1ccc(OC(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1 32767061 FORIGVLOSCQTNF-UHFFFAOYSA-N 344.370 4.499 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3cnc4ccccc4c3)cs2)o1 32816493 CRVIEARATJZLPF-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB O=C(Nc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 33300004 UGUMFWUQQSOYGY-JXAWBTAJSA-N 348.427 4.158 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cc(F)ccc3F)c2)oc1C 33404459 DIPIRKNVJBLFJD-UHFFFAOYSA-N 328.318 4.489 0 40 EIAB CCC(C)(C)NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F 36718997 LSINUKDFTOTHKQ-SOFGYWHQSA-N 349.324 4.207 0 40 EIAB Cc1ccc(NC(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1C 38489778 BXWSGYOJGASVIO-UHFFFAOYSA-N 337.423 4.464 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38833413 INLNIIQXSMLIFR-SFHVURJKSA-N 340.442 4.293 0 40 EIAB O=C(c1cc(Cl)cc(Cl)c1)c1ccc(C2OCCO2)s1 43210442 PNPPGBBDDVWZOA-UHFFFAOYSA-N 329.204 4.331 0 40 EIAB CCOC(=O)c1cnc2c(C)ccc(Cl)c2c1Br 47913137 WBDGBSRIARFQDY-UHFFFAOYSA-N 328.593 4.136 0 40 EIAB O=C(Nc1ccccc1-n1cccn1)N(Cc1ccccc1)C1CC1 48354155 TXKIXYHIKKUXEI-UHFFFAOYSA-N 332.407 4.069 0 40 EIAB O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H]1c1ccncc1 56403361 ZGWZXHSELGPTKF-OAHLLOKOSA-N 325.799 4.194 0 40 EIAB CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)c(C)c1 58326050 XFLKQYUVWWACSP-GDBMZVCRSA-N 348.512 4.083 0 40 EIAB COc1ccc(C(=O)OCc2ccc(Oc3cccnc3)cc2)cc1 62639940 UIVXHSUNBJPEHB-UHFFFAOYSA-N 335.359 4.240 0 40 EIAB Cc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3F)co2)cc1 66299683 QYAKDFRFTZZPNT-HSZRJFAPSA-N 329.396 4.238 0 40 EIAB Cc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)no1 66875404 NJQKWAGLHHPWRJ-UHFFFAOYSA-N 348.406 4.027 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1NC1CCC1 72213935 QMZOZNMEGFRCLF-IBGZPJMESA-N 335.451 4.413 0 40 EIAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 72227813 AGYZTFYEWNPKAI-KGLIPLIRSA-N 341.625 4.062 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)cc1-n1cccc1 72275386 LDCCRULYFASTIE-UHFFFAOYSA-N 343.818 4.125 0 40 EIAB O=C(CCn1ccc2ccc(Cl)cc21)N1CCc2ccccc2C1 72404357 RZUZCNOPNXMMBU-UHFFFAOYSA-N 338.838 4.270 0 40 EIAB CN(Cc1nccs1)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 74879971 ASCGWQLCTZNMGO-KRWDZBQOSA-N 341.436 4.182 0 40 EIAB C[C@H](O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl 75147288 JSRVJEKVWPVWDA-JTQLQIEISA-N 339.222 4.097 0 40 EIAB COc1cccc(N2C[C@@H](c3nc4cc(Cl)ccc4o3)CC2=O)c1 76555366 OUALNLOECPVUEW-NSHDSACASA-N 342.782 4.010 0 40 EIAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccccc1C(F)(F)F 78597098 TVQAKAWAWPHMIA-SWLSCSKDSA-N 348.368 4.073 0 40 EIAB Cc1cccc(-c2cncc(C(=O)Nc3ccc4c(c3)COC4)c2)c1 91670810 XWKCBUPBYLMYGN-UHFFFAOYSA-N 330.387 4.340 0 40 EIAB Cc1cc([C@H](C)NCc2ccc(CN3CCCC3=O)cc2)c(C)s1 95420647 BCZGASIJEYCCIV-HNNXBMFYSA-N 342.508 4.338 0 40 EIAB Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C 96024776 JIYVXBHFXSUOPK-UHFFFAOYSA-N 344.842 4.035 0 40 EIAB CC(C)Oc1ccc(CN[C@@H](C)c2cnn(C)c2)c(C(F)(F)F)c1 96476957 APPLJYRMPBFTAC-LBPRGKRZSA-N 341.377 4.077 0 40 EIAB Cc1ncc([C@H](C)NCc2ccnc(OC3CCCCC3)c2)c(C)n1 97016715 OUUHHJAXWSOZOP-AWEZNQCLSA-N 340.471 4.051 0 40 EIAB C[C@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@](C)=O)cc1 97045850 HQURKUYIAIBROK-NPMXOYFQSA-N 328.481 4.197 0 40 EIAB CCOC(=O)c1c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCC2 102270857 XKXWROUSKDIYMI-AVGNSLFASA-N 347.480 4.178 0 40 EIAB CS[C@@H](C)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 103404968 RVXVXRLGCSZLNA-ZETCQYMHSA-N 346.399 4.226 0 40 EIAB S=C(NC(c1ccccc1)c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 104876812 CEKMNTRNFAPXOR-SNRMKQJTSA-N 336.504 4.429 0 40 EIAB Cc1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)cc1 222758072 KHOJOZZOXOWAPH-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(F)cc1 223289185 ZJGAOMGTVSUEHT-HXUWFJFHSA-N 341.426 4.178 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](C)c1ccccc1 224440944 FOISYPVDJNOAJP-RHSMWYFYSA-N 331.843 4.417 0 40 EIAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 224684159 KOLAAAMMOQTHEV-UHFFFAOYSA-N 343.370 4.229 0 40 EIAB CCOCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OCC 224694095 XETQIUCPPJGJHN-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB COc1cccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225099328 OSFFBQAEGYMOJL-GOSISDBHSA-N 328.408 4.067 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 225288384 GJVGGYVKRARCSW-MRXNPFEDSA-N 337.463 4.384 0 40 EIAB COc1ccc(NC(=S)NCCSC(C)(C)C)cc1Cl 225350747 BOXSRSNMBQNCIP-UHFFFAOYSA-N 332.922 4.167 0 40 EIAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1Cl 225639322 UKKFZLQKMXPGMK-YVEFUNNKSA-N 325.836 4.273 0 40 EIAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOC)cc2)CCC[C@H](C)C1 225664576 QXCGRROWXDLQRP-JXFKEZNVSA-N 349.471 4.026 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2cccnc12 225883696 VQQMERNUTHUOSK-FQEVSTJZSA-N 344.455 4.413 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225889992 HHKWGXWLBZOANN-IFXJQAMLSA-N 334.460 4.103 0 40 EIAB CCCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225900725 PZJUPKKNCQIMMD-KUHUBIRLSA-N 334.460 4.103 0 40 EIAB CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2N)CC1 226266514 SLIYQOUFGCCIPB-UHFFFAOYSA-N 343.858 4.411 0 40 EIAB CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)c(OCC)c1 409110774 GQTAOBVYAZSHEX-AQTBWJFISA-N 337.419 4.391 0 40 EIAB Fc1ccc2c(c1)CCN(Cc1nc(-c3cccc(Cl)c3)no1)C2 509480743 QNWFNAZVTVWMSO-UHFFFAOYSA-N 343.789 4.087 0 40 EIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)c1 427358 NPNGBYIHYOJHJD-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB Cc1cc(=O)oc2cc(Oc3nnc(-c4ccccc4)s3)ccc12 1418513 FOOAKTFBDWPFBZ-UHFFFAOYSA-N 336.372 4.412 0 40 EIAB Cc1cccc(N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)c1 2512745 BJJVOPNXXWCQEG-UHFFFAOYSA-N 348.490 4.156 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccccc3s2)c1C 2755124 LUULTTJYSXYVEK-UHFFFAOYSA-N 346.477 4.331 0 40 EIAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccc(F)cc5)nc4c23)C1 2789808 CKHVHAPCJMLQJT-JTQLQIEISA-N 338.411 4.270 0 40 EIAB CCCC(=O)Nc1nc(-c2ccc(Br)s2)cs1 3236378 ULOGQSBIUPCVIY-UHFFFAOYSA-N 331.260 4.373 0 40 EIAB CC1(C)Cc2cccc(OC(=O)c3ccc(Br)cc3)c2O1 3287110 CMWVMZCZSFGBEO-UHFFFAOYSA-N 347.208 4.382 0 40 EIAB Cc1cc(OCC(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 3443747 LIGCKKACHWSGPX-SFHVURJKSA-N 329.827 4.221 0 40 EIAB O=C(O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 4137107 LUYKTVOYAOILTH-UHFFFAOYSA-N 338.310 4.318 0 40 EIAB Nn1cc(-c2ccccc2)nc1SCc1ncc(-c2ccccc2)o1 4251964 DVEVPWHCBDNMAP-UHFFFAOYSA-N 348.431 4.211 0 40 EIAB COc1ccc2sc(Nc3nnc(-c4cccs4)o3)nc2c1 4359837 YWRZOLWSMZEWMF-UHFFFAOYSA-N 330.394 4.160 0 40 EIAB CCCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971390 IOMIDLQQJUAEFL-UHFFFAOYSA-N 330.428 4.420 0 40 EIAB Cc1cc(=O)oc2cc(OCC(=O)c3ccccc3)c(Cl)cc12 5040181 FEWGUTZNDGCQSR-UHFFFAOYSA-N 328.751 4.017 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)c3ccc(C)cc3)o2)c1 5240240 BHWDSYSLXQRTIE-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5383268 DJPZSBANTAQNFN-SOXBMFEASA-N 330.468 4.450 0 40 EIAB biogenic COc1ccccc1[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C 5510932 DOUDPMSMSCZVRL-MRXNPFEDSA-N 341.451 4.383 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 5514307 LCDWAIUMEALYRE-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 6274712 QAPRSHTVNIIRKS-HNNXBMFYSA-N 341.407 4.050 0 40 EIAB Cc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccccc12 6755212 YPOQYIXSHSTOHE-UHFFFAOYSA-N 325.349 4.105 0 40 EIAB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)O 6960977 BNAJHTURTFFUSH-KEBDBYFISA-N 347.798 4.261 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(Br)ccc1F 7971421 WEZSUKFTWJCFMD-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB Fc1ccccc1-c1nnc(SCc2nc3ccccc3o2)o1 8186985 WGIZIGUOQYKCRA-UHFFFAOYSA-N 327.340 4.309 0 40 EIAB O=c1nc(SCc2ccccc2)[nH]c2sc3c(c12)CCCC3 8742560 IPZMSKIJUYVNKQ-UHFFFAOYSA-N 328.462 4.156 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 9156335 DAEDFMUZIWPMIU-MRXNPFEDSA-N 342.464 4.115 0 40 EIAB CCOc1ccccc1NC(=O)CNc1ccc2c3c(cccc13)CC2 9339089 GJWXRQIXKHWPGP-UHFFFAOYSA-N 346.430 4.388 0 40 EIAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccco1)C2 9938821 MKOYCTLLHJQSTQ-GFCCVEGCSA-N 349.415 4.296 0 40 EIAB CC1CCN(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 13670451 KEFFSRPQPHXCQC-UHFFFAOYSA-N 344.543 4.155 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccco1 14123510 PTYVISQRPUCNBR-GFCCVEGCSA-N 340.404 4.084 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1 15934602 XZRMCLAOYHDATQ-FQEVSTJZSA-N 338.451 4.473 0 40 EIAB Cc1cccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)c1C 17071434 NYOBUTDZMVYQHY-UHFFFAOYSA-N 341.455 4.453 0 40 EIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1 17850390 JBWQKPWWSQLYJZ-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20036974 HFAYAUHFBOHJPB-IBGZPJMESA-N 339.479 4.437 0 40 EIAB COc1ccc(Cn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 20799228 FSOPXCIUUZRRMU-UHFFFAOYSA-N 342.398 4.120 0 40 EIAB COc1ccccc1CN(C)C(=O)c1cc(C2CC2)nc2ccccc12 20921024 FGOXFGPGBQLZRW-UHFFFAOYSA-N 346.430 4.393 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1Cl 21028436 PFDYEEUOEBTSBQ-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB CCCCCc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 22654284 XLNCCDBWBBKQHM-UHFFFAOYSA-N 338.407 4.003 0 40 EIAB Cc1cccc(Cc2cnc(NC(=O)c3ccccn3)s2)c1Cl 24836606 QKUDXGTZWKTSMD-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Cc1c(C(=O)COC(=O)c2ccc(F)c(F)c2)oc2ccccc12 25016387 YXCCTMJKTVRHLP-UHFFFAOYSA-N 330.286 4.059 0 40 EIAB Cc1cccc(CSCC(=O)N[C@H]2CCCc3ccccc32)c1 26565323 NFHBCULBIBOKAH-IBGZPJMESA-N 325.477 4.422 0 40 EIAB Cc1c(C(=O)NC(C)C)oc2c1-c1nc3ccccc3nc1C(C)(C)C2 26919684 NAEYBKXMXZORSZ-UHFFFAOYSA-N 349.434 4.170 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)n1 27666109 GPSQLDLPQUYLMT-UHFFFAOYSA-N 348.642 4.411 0 40 EIAB O=C(NCCSCc1ccco1)c1ccc2c3c(cccc13)CC2 31253498 CNHHFPJMOSOOSM-UHFFFAOYSA-N 337.444 4.195 0 40 EIAB Cc1csc(NC(=O)c2ccc(OCc3cccs3)cc2)n1 31873839 HICPDFDKFLFJEV-UHFFFAOYSA-N 330.434 4.344 0 40 EIAB CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccc(C)cc1 35622116 LGZPWYVVVFLWBE-GOSISDBHSA-N 341.846 4.361 0 40 EIAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 36621149 ITAICSUFDYPZKK-CYBMUJFWSA-N 341.885 4.236 0 40 EIAB Cc1ccc(-c2csc3ncnc(NCCc4cnn(C)c4)c23)cc1 40135273 DQBPUDWODNRZFB-UHFFFAOYSA-N 349.463 4.055 0 40 EIAB Cc1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)cs1 42118131 YJPXGNGJZNNCNP-UHFFFAOYSA-N 336.416 4.006 0 40 EIAB C[C@H](C(=O)N1CCC[C@H]1c1ccsc1)n1cnc2ccccc21 44943626 GTIYKSVVRWNTRE-CJNGLKHVSA-N 325.437 4.023 0 40 EIAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 52659588 QQTOMCCJDITTOP-MRXNPFEDSA-N 337.448 4.343 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12 58156530 GXWOQIUPGGUGJE-KRWDZBQOSA-N 340.423 4.178 0 40 EIAB CC(C)COC(=O)Nc1cccc(NCc2nc(C(C)C)no2)c1 58159200 KPWLBUKAMZRKKR-UHFFFAOYSA-N 332.404 4.010 0 40 EIAB CCn1cc(NC(=O)NC(CC)(CC)c2ccc(Cl)cc2)cn1 58299376 HBAJCFDHKXKVJP-UHFFFAOYSA-N 334.851 4.393 0 40 EIAB COC(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c12 58635096 ZDBBUSBMUGPRKK-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)Nc1ccccc1F 66089052 UINGWFNHEGVOIP-UHFFFAOYSA-N 345.761 4.456 0 40 EIAB CCOC(=O)Nc1nnc(S[C@H]2CCCc3ccccc32)s1 70014776 QSZWENKSHZMJHT-LBPRGKRZSA-N 335.454 4.276 0 40 EIAB O=c1oc2ccc(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 71405106 CDBCBCSJJISSJC-UHFFFAOYSA-N 327.689 4.315 0 40 EIAB COc1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760801 QBFMSIZNESDICY-UHFFFAOYSA-N 342.342 4.403 0 40 EIAB Cc1nnc([C@@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 71819457 ZGPFAHHILOUCAE-SNVBAGLBSA-N 346.818 4.113 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc2cc(F)ccc2n1C 72405505 AMVZTBZVUXJOIK-UHFFFAOYSA-N 332.762 4.232 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 75126391 JJVCSEVKQSGQDD-AWEZNQCLSA-N 341.455 4.270 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1cnc(Oc2ccccc2F)nc1 75172131 XQGOALZPLIOMLQ-ZHACJKMWSA-N 335.338 4.060 0 40 EIAB O=C(c1cc(-c2ccco2)on1)N1CCC(c2ccsc2)CC1 77103669 JIXGDWVCWDBUCS-UHFFFAOYSA-N 328.393 4.016 0 40 EIAB Cc1ccc(-c2nc(CNc3cccc(-c4nncn4C)c3)co2)cc1 89641203 QALVFTMJEVECGZ-UHFFFAOYSA-N 345.406 4.058 0 40 EIAB Cc1[nH]nc(C(F)F)c1NC(=O)c1csc(-c2ccccc2)n1 95456721 YUVGIJPPDPBLOR-UHFFFAOYSA-N 334.351 4.032 0 40 EIAB CCOc1ccc(NC(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)cc1 95465790 LXPCMRPRQDMANA-SJLPKXTDSA-N 334.460 4.191 0 40 EIAB CC[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1OC 95954592 ULOVYEKUAQIVIS-LBPRGKRZSA-N 341.249 4.254 0 40 EIAB c1ccc([C@H]2CCc3nc(CN4CCCSCC4)sc3C2)cc1 96003599 WEVDSMHHZQZKNC-INIZCTEOSA-N 344.549 4.355 0 40 EIAB Cc1ncc([C@@H](C)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 97016663 LOSCESVVOJVBIJ-KZULUSFZSA-N 347.409 4.423 0 40 EIAB O=C1CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 102646525 VKUIKJBKCOPIOP-UHFFFAOYSA-N 327.796 4.091 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-n2cc(Cl)cn2)cc1 103029878 FVBBLHQSYGQVBA-IHRRRGAJSA-N 329.831 4.291 0 40 EIAB Cc1nc2c(-c3ccc(Cl)cc3)cnn2c2c1[C@@H](O)CC(C)(C)C2 104494930 NAZDLTCSKKBGTR-INIZCTEOSA-N 341.842 4.364 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1SC 113942735 YIPLKBULEKQUTL-INIZCTEOSA-N 331.437 4.213 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC4(CC[C@]3(C)[C@H]1[C@H](O)C2)OCCO4 118940820 OBDZFYATKFZBLA-JPPDAWHYSA-N 334.500 4.133 0 40 EIAB CC(C)n1cccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 129089629 YKVQTUVGXNHJPR-CQSZACIVSA-N 346.500 4.010 0 40 EIAB CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1Cl 131090581 HFHWROYXESHGOJ-AWEZNQCLSA-N 340.757 4.127 0 40 EIAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 136427824 NPIJXUGEZHABCE-JHOKLZQASA-N 345.489 4.097 0 40 EIAB CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1cc(F)ccc1F 170746176 ANFPONPHJGEFEW-UHFFFAOYSA-N 347.752 4.081 0 40 EIAB CC[C@@H](C(=O)Nc1cc(C)ccc1NC(C)=O)c1ccc(OC)cc1 195211554 OUOHZRAFVOATDX-QGZVFWFLSA-N 340.423 4.094 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223933884 HFOJJFQQZYUWQJ-OALUTQOASA-N 341.451 4.429 0 40 EIAB Fc1ccc(C2(CNC(=S)Nc3cccnc3)CCCC2)cc1 223982349 HIHLRDXBEVTFRX-UHFFFAOYSA-N 329.444 4.019 0 40 EIAB CCOCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC 224697762 HOQSLVWEEVBHCA-UHFFFAOYSA-N 341.407 4.077 0 40 EIAB COc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1 225316278 RIFYPIWZCIANSY-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)cc1C 225609060 DSOGVGMYYFMYLD-SFHVURJKSA-N 335.444 4.181 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 225641295 JNZSZWNSOCCMFA-GFCCVEGCSA-N 336.407 4.027 0 40 EIAB Cc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1C 225843156 OUALQEMGGBJTBP-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1OC 225960079 XHVRYMSFXHISRU-UHFFFAOYSA-N 331.437 4.213 0 40 EIAB CC[n+]1cc(Br)cc(-c2nc3ccc(F)cc3s2)c1 226776822 KPTGCDVDJQQMPY-UHFFFAOYSA-N 338.225 4.172 0 40 EIAB Cc1ccc2c(C)cc(N3CCC[C@@H](OCC(F)(F)F)C3)nc2c1 515501502 BTORLWFFKHVBFL-CQSZACIVSA-N 338.373 4.399 0 40 EIAB O=C(Nc1ccccc1Cl)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 618256228 OVXWSNPTVWWMAD-OAHLLOKOSA-N 342.826 4.296 0 40 EIAB O=C(O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 277193 BOTDQOONYQTNCT-UHFFFAOYSA-N 333.771 4.326 0 40 EIAB Cn1c(SCc2cccc3ccccc23)nnc1-c1ccncc1 532673 DOFGRECYQQUCAM-UHFFFAOYSA-N 332.432 4.323 0 40 EIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 551353 NDDVKHTZDIXGBF-QGZVFWFLSA-N 343.224 4.147 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1 580008 SAOQDMGJNHPFPQ-HNNXBMFYSA-N 334.213 4.245 0 40 EIAB CCOC(=O)c1ccccc1-c1ccccc1C(=O)N(CC)CC 3098734 IIZYFKYAONQISH-UHFFFAOYSA-N 325.408 4.012 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N1CC=C(c2ccccc2)CC1 3405572 VVJJWYFTQDVXGE-UHFFFAOYSA-N 330.431 4.416 0 40 EIAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Cl)cc2C)c1 3553928 XJZHXZJIIUVBKO-RUDMXATFSA-N 331.799 4.318 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1C 4660355 FVAOBAAJFRWURS-GYSYKLTISA-N 330.255 4.456 0 40 EIAB O=C(Nc1nccs1)c1c(Br)sc2c1CCCC2 5032157 GYPVBNOXAUSKCH-UHFFFAOYSA-N 343.271 4.098 0 40 EIAB CCc1cccc2c(C(=O)CSc3nnc(SC)s3)c[nH]c12 5211527 RMEKYTSUEPMAPT-UHFFFAOYSA-N 349.506 4.279 0 40 EIAB O[C@@H](COc1ccc(CNCCc2ccccc2)cc1)c1ccccc1 6650913 ZCMAHSNEMVOQPI-QHCPKHFHSA-N 347.458 4.131 0 40 EIAB CN1c2ccccc2C(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 6831065 ZYALFXPLVMIWJN-NRFANRHFSA-N 344.414 4.144 0 40 EIAB Cc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1Cl 7409048 FSMPMHWCVUODIK-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSc1ccc(C)cc1 8478436 NCUJUAWAWPGINY-QGZVFWFLSA-N 347.455 4.200 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)s1 10556418 KOVVKJYOOMHPPQ-UHFFFAOYSA-N 340.433 4.309 0 40 EIAB COc1ccc2oc(-c3csc(NC(=O)c4ccco4)n3)cc2c1 10882600 QFDMWQCFJXBYFC-UHFFFAOYSA-N 340.360 4.410 0 40 EIAB COc1ccc(C2(NCc3ccccc3-n3cccn3)CCCC2)cc1 12328821 FMPWKSIMQCODCY-UHFFFAOYSA-N 347.462 4.440 0 40 EIAB CC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c2c(C)cc(C)nn12 12559979 LSFVOKFYFZIKOP-CQSZACIVSA-N 325.437 4.083 0 40 EIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3F)ccc2o1 12735899 RIRCCYAGONRIFV-SECBINFHSA-N 347.777 4.368 0 40 EIAB CC1CCC(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 12750520 UTABVFBJMPRHDH-UHFFFAOYSA-N 342.464 4.309 0 40 EIAB O=C(CSc1nc(O)c2sccc2n1)c1ccc(Cl)cc1 12850247 RAUNCOYJGMPERU-UHFFFAOYSA-N 336.825 4.025 0 40 EIAB O=C(NC1CC1)[C@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 15469043 ZWPDBRBOWQQOPY-OAQYLSRUSA-N 349.478 4.109 0 40 EIAB CC[C@@H](NC(=O)CCOc1ccc(OC)cc1)c1ccc(C)cc1 15741680 AWCHXOGVJCEXBN-LJQANCHMSA-N 327.424 4.040 0 40 EIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1 15860744 WFSPXXLGNZXKKH-QGZVFWFLSA-N 338.451 4.046 0 40 EIAB O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1cccc(Cl)c1 18324143 KFWBPLWYFUKRBD-XLAORIBOSA-N 341.838 4.356 0 40 EIAB CCn1c(=N)n(CCOc2cccc3ccccc23)c2ccccc21 20169323 VYCHPJGOEOXFPG-UHFFFAOYSA-N 331.419 4.174 0 40 EIAB CO[C@@H](C(=O)NCCSCc1ccccc1Cl)c1ccccc1 20238621 YZZVEQDYTQDTSF-QGZVFWFLSA-N 349.883 4.077 0 40 EIAB COc1ccc(SCC(=O)Nc2cccc(C)c2C)cc1OC 20457900 SCXXKEKOWDYYLS-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB O=C(CSCc1ccc(F)cc1)NCCSC1CCCCC1 20462029 BTPJRLHDOURQEQ-UHFFFAOYSA-N 341.517 4.241 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20491870 GQISRMXGZNCVEM-CVEARBPZSA-N 327.424 4.038 0 40 EIAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(F)c(Cl)c1 23264041 DGQWOQJUOKLUJH-JTQLQIEISA-N 341.839 4.376 0 40 EIAB O[C@@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccccc1 23674219 GNHLZLLYMFXCDJ-KRWDZBQOSA-N 337.448 4.030 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccco1 23792934 WPMAWKVMCOIYKH-UHFFFAOYSA-N 348.761 4.308 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)cc1 24927603 TZMUVAPUAMVJOK-UHFFFAOYSA-N 340.379 4.136 0 40 EIAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 26637977 DGOXWLXVSXBMKX-CQSZACIVSA-N 338.382 4.291 0 40 EIAB O=C(Nc1ccn(Cc2ccccc2F)n1)Nc1ccccc1Cl 27916008 HDALIEFCGZYNSU-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)c1 29267363 GKYBDYDFHOGGAD-UHFFFAOYSA-N 333.435 4.200 0 40 EIAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1Cl 29482564 NNRIVKBJEVNGQY-GOSISDBHSA-N 328.843 4.206 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCc4sccc4C3)s2)o1 31263938 WLRLOQABXBGRTM-UHFFFAOYSA-N 344.461 4.280 0 40 EIAB Cc1ncc(NC(=O)CC(C)C)n1-c1nc(-c2ccccc2)cs1 35682930 NRVDTEAGOAYZMM-UHFFFAOYSA-N 340.452 4.289 0 40 EIAB CSc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1 38752967 XITINQZEDWVGRY-GOSISDBHSA-N 349.521 4.474 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 38772558 OPRVNWSKUOIYSJ-SJORKVTESA-N 325.452 4.154 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3cccs3)cs2)c1C 42631257 JUVWHQUHCRDARL-UHFFFAOYSA-N 345.449 4.271 0 40 EIAB CCSc1ccccc1C(=O)Nc1ccc(-c2nc(C)no2)cc1 49027118 KUUHJBYFJFDSJD-UHFFFAOYSA-N 339.420 4.409 0 40 EIAB CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NC1CCOCC1 67889905 DEEKSOTZDQQPIM-UZLBHIALSA-N 340.467 4.067 0 40 EIAB biogenic,in-vitro C[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)cs1 69703640 FLNSNHCLYGACBX-NSHDSACASA-N 343.839 4.350 0 40 EIAB O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 71888326 WEWKFYZOBUMLEA-QFBILLFUSA-N 326.440 4.181 0 40 EIAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nccs1 72293495 DLVQUIFASURMGD-YESZJQIVSA-N 326.465 4.309 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F 72380333 DODHSVYMTOABFE-SFHVURJKSA-N 341.430 4.460 0 40 EIAB CCSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 88363282 FKPTXXCOKIZJKH-CQSZACIVSA-N 330.457 4.281 0 40 EIAB NC1=C(c2ccccc2)S(=O)(=O)c2cc(Oc3ccccc3)ccc21 100113564 ZWSVQMMNZOWXTK-UHFFFAOYSA-N 349.411 4.051 0 40 EIAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccccc1C(F)(F)F 207988249 RLKCAJGPEDGDGU-HNNXBMFYSA-N 348.368 4.104 0 40 EIAB O=C(OCc1ccc(Cl)cc1)c1snnc1-c1cccs1 223847371 LJZMJWABGAVULN-UHFFFAOYSA-N 336.825 4.277 0 40 EIAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1 224090147 AOOQSMUMGOZKRB-UHFFFAOYSA-N 339.435 4.146 0 40 EIAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C 224251522 XLXDJKKVUVWFNV-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCC3CCCCC3)cc2)C1 224335380 AZMNMXZRDKUEMT-QGZVFWFLSA-N 328.500 4.229 0 40 EIAB COc1cc(C)c(C(=O)N[C@H](C)COc2ccccc2)cc1C(C)C 225669366 VQPOAXXJSZRBQB-MRXNPFEDSA-N 341.451 4.324 0 40 EIAB CCN(C(=O)c1ccc(-c2cc(N)ccc2OC)o1)c1ccccc1 226304072 OWFNNLSJNZLLOC-UHFFFAOYSA-N 336.391 4.204 0 40 EIAB CCOc1nn(C)c2ccc(NC(=O)CCC3CCCCC3)cc12 227166676 AUIVSCLALNZSIY-UHFFFAOYSA-N 329.444 4.271 0 40 EIAB Fc1ccc(C2(c3noc(Cc4cncs4)n3)CCCC2)c(F)c1 579526141 HBZLLMSERCLOPL-UHFFFAOYSA-N 347.390 4.255 0 40 EIAB Cc1csc(Cl)c1NC(=O)N1CCOc2cc(F)ccc2C1 1616042915 VENQTJLSYADRSF-UHFFFAOYSA-N 340.807 4.276 0 40 EIAB Cc1cc2c(=O)cc(-c3ccccc3Cl)oc2c(C(=O)O)c1C 1609350 YMNMQBRQLGKNAC-UHFFFAOYSA-N 328.751 4.428 0 40 EIAB COc1ccc2c(-c3ccccc3)cc(NCCCN(C)C)nc2c1 1896218 RTTWXVNKZRKRIA-UHFFFAOYSA-N 335.451 4.274 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c(C)c1 2713204 OXAMDHNWOZWHOY-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)oc2C)cc1 3319914 GWFJZCRKBCPZEQ-GFCCVEGCSA-N 329.396 4.205 0 40 EIAB O=C(CCSc1nc2ccccc2s1)NCc1ccccc1 3625402 ZAMDCHYWXILUHJ-UHFFFAOYSA-N 328.462 4.095 0 40 EIAB CCC(CC)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 3893235 UUHUYROKRHJISE-UHFFFAOYSA-N 329.469 4.302 0 40 EIAB COc1ccccc1/C=C/c1nn2c(-c3cccs3)nnc2s1 4511867 BWFCGQREKSEMJC-CMDGGOBGSA-N 340.433 4.093 0 40 EIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1C 4741601 GQEHPCAIWUNTFY-IBGZPJMESA-N 347.418 4.197 0 40 EIAB Cc1cccc(OCCSc2nc(-c3ccccc3F)n[nH]2)c1 4877871 GCIUVYXTCPKIRC-UHFFFAOYSA-N 329.400 4.090 0 40 EIAB C[C@@H](O)CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 5323344 ZSJFLHASBREOPB-OAHLLOKOSA-N 339.410 4.028 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1 6551694 ZAWCNWXQHNGPSV-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB COc1ccc2c(c1)OCC1=C2CC[C@]2(C)C1=CCC[C@@H]2OC(C)=O 6614754 UJKBARGHRQTONW-LEWJYISDSA-N 340.419 4.293 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc(F)cc1 7192670 RYHKFXFMHTVDKU-SNVBAGLBSA-N 346.358 4.378 0 40 EIAB CCOC(=O)c1sc2cccc(F)c2c1CN(C)Cc1ccco1 7919026 KFJRYODESLFAPB-UHFFFAOYSA-N 347.411 4.442 0 40 EIAB O=C(NCc1ccccc1F)c1csc(-c2ccc(F)cc2)n1 8331313 AXKZIDIJAZPVFW-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 8707458 AXKUVFMIBWOWNM-UHFFFAOYSA-N 347.390 4.065 0 40 EIAB CCOc1ccc(-c2n[nH]c(C)c2Oc2cccc(OC)c2)c(O)c1 8971348 IIFDEVAPXVPWPX-UHFFFAOYSA-N 340.379 4.290 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2)CSC3)cc1 9404433 QWVCUCMVGLYNIH-UHFFFAOYSA-N 335.432 4.180 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCc2sccc2C1 10767834 ZLHGBZULJGYMSZ-GFCCVEGCSA-N 334.872 4.095 0 40 EIAB CCCCOc1cccc(C(=O)Nc2onc3c2C[C@H](C)CC3)c1 11917599 ZQIPRKWEMORZGL-CYBMUJFWSA-N 328.412 4.231 0 40 EIAB CCc1ccc(-c2nc(COc3ccccc3C(N)=O)cs2)cc1 12984385 RYPNCGBLJBHFDM-UHFFFAOYSA-N 338.432 4.050 0 40 EIAB CCc1sc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1C 13105548 GSFAMCFVRSJFQH-UHFFFAOYSA-N 342.420 4.334 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](C)SCCOc2ccccc2)c1 15491355 GGOWFEZZVROONS-INIZCTEOSA-N 329.465 4.443 0 40 EIAB Cc1cccnc1NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 15520297 OEXXALNLKLCPBF-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 16101628 WVITYTGCKZEZEY-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB CC(C)(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 16891429 DNKBZEWDRPNBQI-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Cl)c1)CCC3 17070560 JORHYWCQGNIKPO-UHFFFAOYSA-N 334.853 4.252 0 40 EIAB CCc1ccccc1N1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O 18244052 ZCBHLUSOQLVXFZ-QRVBRYPASA-N 333.431 4.322 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 19934230 GRUUFBFPXKUWAT-SFHVURJKSA-N 347.842 4.213 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 21596426 NBXCEYHNIDHRIP-UHFFFAOYSA-N 326.465 4.301 0 40 EIAB CCCCN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 22523109 NJQQXTFUXLIWAM-KRWDZBQOSA-N 340.398 4.085 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(F)cc1 22533868 XTDPKBXYDIMMHS-KRWDZBQOSA-N 349.833 4.386 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc2c(F)cccc2s1)c1ccsc1 23133007 LQPFTNCEMBYQTA-AWEZNQCLSA-N 348.468 4.135 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CC=C(c2ccccc2)CC1 30997048 GYFCKOGISUGEBH-UHFFFAOYSA-N 332.325 4.030 0 40 EIAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1 36709667 CMQAVEFNTOJQHN-UHFFFAOYSA-N 331.803 4.122 0 40 EIAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H]2CCCC[C@H]21 40024728 LUKUJHHRMFCBIW-VQIMIIECSA-N 349.478 4.156 0 40 EIAB CC[C@@H](C)c1noc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 40714381 VZEXSPCEQGYNJN-BOLDSZDNSA-N 339.439 4.003 0 40 EIAB CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)cc1 44935869 SKROQPJTEZETHC-NRFANRHFSA-N 336.479 4.472 0 40 EIAB C[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccc(-c2ccccc2)cc1 49604858 VJXVOOJZEIJHHP-QGZVFWFLSA-N 348.446 4.256 0 40 EIAB COC(=O)N(C)c1ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 56449498 DEGGYMYEVUKVGD-HZPDHXFCSA-N 330.428 4.066 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]1c1ccsc1 66917619 ARUQKKDBXZGCAJ-QGZVFWFLSA-N 335.432 4.182 0 40 EIAB COc1cccc(CSc2nc3ccsc3c(=O)n2C2CC2)c1 67259750 YYTJNUBITDYJEF-UHFFFAOYSA-N 344.461 4.094 0 40 EIAB CC(C)N1CCC(N(C)Cc2ccc(Cl)c3cccnc23)CC1 71850358 MFEHZSLAYYFPKJ-UHFFFAOYSA-N 331.891 4.193 0 40 EIAB CC(C)N1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214518 WKYPAAKYRJTRRY-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215487 XMQJTXCRSZMVET-INIZCTEOSA-N 331.460 4.142 0 40 EIAB Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)cc1 72329769 NFSVAJHOLQCNRP-UHFFFAOYSA-N 335.787 4.169 0 40 EIAB Cc1cc(NCc2ccncc2)n2nc(C)c(-c3ccc(F)cc3)c2n1 72389378 UOJFIDZVBGJEGR-UHFFFAOYSA-N 347.397 4.159 0 40 EIAB CN(CCc1ccccc1)Cc1c(C2CCOCC2)[nH]c2ncccc12 72394983 IJEJYIWOAHRSEG-UHFFFAOYSA-N 349.478 4.131 0 40 EIAB C[C@@H](NC(=O)N(C)Cc1ccncc1)c1csc2ccccc12 75133517 DCENLYXDYQIXLE-CYBMUJFWSA-N 325.437 4.199 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 77699143 PEPAMKLFSZSISP-DNVCBOLYSA-N 342.439 4.029 0 40 EIAB O[C@@H](CNCc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1 84562766 MVPDOYUSASHPGB-NRFANRHFSA-N 339.385 4.455 0 40 EIAB CCO[C@@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 95399932 XLJJHELYHIHUMW-QMMMGPOBSA-N 331.846 4.313 0 40 EIAB Cc1nc(Nc2cc(C)n([C@H](C)C3CC3)n2)cc(-c2ccccn2)n1 96009793 SMIHEUVKZBAJGI-CYBMUJFWSA-N 334.427 4.067 0 40 EIAB CC(C)N(C(=O)c1cccc(Oc2nccs2)c1)c1cccnc1 96413135 UWIVBMGINQWWQT-UHFFFAOYSA-N 339.420 4.386 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CCc2ccc(F)cc21 96415482 SLSXEHYXQSQGKV-ROUUACIJSA-N 327.403 4.001 0 40 EIAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2Cc1nc(C)no1 97141123 ZFQIWUGZORUVTE-QGZVFWFLSA-N 340.471 4.100 0 40 EIAB Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 101084869 BHFJNWYLWMOLTH-QAPCUYQASA-N 328.799 4.418 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC[C@H](CN2CCCCCC2)C1 103096382 IUKFMQSVYPBJNH-QGZVFWFLSA-N 340.467 4.161 0 40 EIAB Cc1cc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1Br 107890385 IVDFAQJGBZGLFB-GYSYKLTISA-N 339.302 4.233 0 40 EIAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 216922796 OVCPALQXZQKIPY-UHFFFAOYSA-N 340.597 4.289 0 40 EIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 219024691 VSAVMHFAUNGRCV-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CSCc2ccccc2F)cc1 222709129 BZLVDMKUNQIAHD-UHFFFAOYSA-N 347.455 4.163 0 40 EIAB CCCC[C@@H](CC)CNC(=O)CCCc1ccc2c(c1)OCCO2 224945175 DNZORBAAZYFIRJ-MRXNPFEDSA-N 333.472 4.113 0 40 EIAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Oc1cccc(Cl)c1 225093478 YXVGEUCCBXFCHU-AWEZNQCLSA-N 344.716 4.434 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccccc1 225759389 QIJQJPXHEQSCFT-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CC(C)Oc1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1 225783935 YSOFCRBPHWLXHX-OAHLLOKOSA-N 344.480 4.228 0 40 EIAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)c2cccnc12 225888336 XASMXWRCMJZLOM-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c(C)n1 225890899 LEKVWOLUHQCFHS-UHFFFAOYSA-N 334.460 4.103 0 40 EIAB COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253614354 WGYHVQYXJNPQAA-WNWJMTTQSA-N 332.484 4.099 0 40 EIAB CCc1nn(C)cc1N[C@H](CC)c1ccc(OC(F)(F)F)cc1 556880765 TVAGYNBYLUZMLL-CYBMUJFWSA-N 327.350 4.444 0 40 EIAB O=C(c1nc2ccccc2s1)N1CCc2sc(Cl)cc2C1 575615092 AVRACLABCJIUOQ-UHFFFAOYSA-N 334.853 4.210 0 40 EIAB CO[C@H](CNC(=O)/C=C/c1ccsc1)c1cc2ccccc2o1 618255619 GIQWUNFPDMLDEK-DKRLNXSXSA-N 327.405 4.011 0 40 EIAB Cn1ccc(CSCc2cc(Cl)ccc2OCC2CC2)cc1=O 619469297 PGROJOYHVCKDJY-UHFFFAOYSA-N 349.883 4.261 0 40 EIAB Cc1ccccc1NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 653914454 PFKUQCCTFAJDSQ-UHFFFAOYSA-N 346.434 4.350 0 40 EIAB Cc1ccc(C(C)C)c(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 110049 IYMMXULJUZNXDV-QGZVFWFLSA-N 338.451 4.216 0 40 EIAB Cc1cc(C)c(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)c1 117682 CVKCLAJGZYSNRQ-UHFFFAOYSA-N 348.398 4.426 0 40 EIAB CCOC(=O)c1ccc(Nc2cc(C)nc3c(OC)cccc23)cc1 303385 DVBOOHJRRRXHMZ-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB COc1ccc2cc(CNc3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 421143 AOINEBMTXQJOBT-UHFFFAOYSA-N 348.324 4.168 0 40 EIAB CCCC(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 569640 NENSETWYWNMJIH-UHFFFAOYSA-N 339.873 4.077 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)c(Cl)cc1OC 579882 HENSLWCHVYETGP-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)C)c1 1278031 BEYFZFTUNXRFHI-UHFFFAOYSA-N 348.446 4.196 0 40 EIAB COc1ccc(-c2nc(N)nc(-c3cc(C)ccc3O)c2Cl)cc1 1616391 JKPCNFGIHMUCNW-UHFFFAOYSA-N 341.798 4.069 0 40 EIAB c1ccc(-c2nnc(SCc3nnc(-c4cccs4)o3)o2)cc1 3345736 ZWAWNSXXJMGMSK-UHFFFAOYSA-N 342.405 4.140 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1ccc2ccccc2c1 3435425 OSYYHBPDEIKXHW-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB CCOC(=O)Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 4002576 KDXZCFFKWRUYOP-FMIVXFBMSA-N 340.810 4.423 0 40 EIAB O=C(CSc1nc(-c2ccccc2)ns1)OCc1ccccc1 4167310 ZEVTYURZQZETNC-UHFFFAOYSA-N 342.445 4.041 0 40 EIAB c1ccc(-c2cnc(CSc3nnc4[nH]c5ccccc5n34)o2)cc1 4268425 QDGFSNXIEMAYEP-UHFFFAOYSA-N 347.403 4.158 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=O)CC(C)(C)C2 4383912 CZWVZGGAOVIQMG-LBPRGKRZSA-N 337.419 4.335 0 40 EIAB Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 4854172 PPAFAOPHTZRXQW-FQEVSTJZSA-N 331.419 4.434 0 40 EIAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(C)cc3C)c2=O)cc1 4940402 YCHBMWDHTFGPBL-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB C[C@H]1C[C@@H](C)CN2c3ccccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]12 5274384 WEOIUSWZPPNLHG-QEEYODRMSA-N 339.479 4.038 0 40 EIAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NC1CCCCCCCCCCC1 5374987 ABWCDIIQYWLBQU-QZTJIDSGSA-N 335.488 4.443 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 5559035 WLSKHMLAAJXNIV-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB CCCCCSc1nc(O)c2cnn(-c3ccc(C)c(C)c3)c2n1 5867461 CUVZURZWYLHSSO-UHFFFAOYSA-N 342.468 4.420 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6085420 FYOPHFMPNXOULU-LFPRZYRFSA-N 326.436 4.326 0 40 EIAB O=C(c1ccc(Br)cc1)[C@H]1N=NC[C@@H]1c1ccccc1 6252480 BKJQXHLZKYAJHO-CABCVRRESA-N 329.197 4.250 0 40 EIAB CCOc1ccc2nc(SCC(=O)c3ccc(CC)cc3)[nH]c2c1 6314034 ISGFQWAROARZTQ-UHFFFAOYSA-N 340.448 4.499 0 40 EIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1F 6510001 UTDGKLUTQLMAPW-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB COc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 7815281 PVVCIIQFILNZRZ-UHFFFAOYSA-N 347.414 4.171 0 40 EIAB Cc1nc(SCC(=O)Nc2ccc(C(C)C)cc2)nc(C)c1C 8705480 SYMNIRIBVVBZEM-UHFFFAOYSA-N 329.469 4.256 0 40 EIAB C[C@@H]1CN(C(=S)c2cccc(OCc3ccccc3)c2)C[C@@H](C)O1 9188973 TYTVRQLQVYJPEE-HZPDHXFCSA-N 341.476 4.050 0 40 EIAB Cn1/c(=N\C(=O)c2cccc(F)c2)sc2ccc3ccccc3c21 11847345 JITUXCMULRSESN-XUTLUUPISA-N 336.391 4.273 0 40 EIAB CCCCOc1cccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)c1 11917600 ZQIPRKWEMORZGL-ZDUSSCGKSA-N 328.412 4.231 0 40 EIAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 12528227 KXWONEBFQKLLHQ-HXUWFJFHSA-N 345.402 4.251 0 40 EIAB CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 12542617 QNTWEDSWNAFNKL-LBPRGKRZSA-N 334.366 4.290 0 40 EIAB O=C([C@H](Sc1nccn1C1CC1)c1ccccc1)N1CCCCC1 12646956 ZFLVKIDXQRIAPC-QGZVFWFLSA-N 341.480 4.064 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2o1 12657545 UBANCWAMPYEPAR-PHIMTYICSA-N 338.860 4.363 0 40 EIAB CC[C@@H](CO)Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 12855125 KJTKQPSYAQUCHY-LBPRGKRZSA-N 333.844 4.195 0 40 EIAB O=C(CSc1ccncc1)Nc1ccc(Cl)c(C(F)(F)F)c1 12969847 HTBMMTRGVXCLCD-UHFFFAOYSA-N 346.761 4.485 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)Nc3cccnc3)cc2s1 13731401 HTBNFFHFKXCXNP-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB CCCOc1ccccc1C(=O)Nc1ccc(Br)cc1 14036480 OVTUKXGBSMCFSM-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F 14255041 FCOIQLYMZTZDDX-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@@H]3C)cs2)cc1 15662390 XKNCWDXFNUNFLB-SWLSCSKDSA-N 330.453 4.127 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1 16399431 KHZGEKXOYJUNQM-QJPTWQEYSA-N 328.403 4.428 0 40 EIAB C[C@@H](NC(=O)NCCc1ccccc1)c1ccccc1Br 17115800 QBPLWODEXTXSIE-CYBMUJFWSA-N 347.256 4.052 0 40 EIAB Fc1ccc([C@@H]2C[C@@H]3CN(Cc4cccs4)C[C@@]34CCCN24)cc1 19343368 KYELLYOWCJKDFN-UXPWSPDFSA-N 342.483 4.299 0 40 EIAB CCn1nc(C)c(-c2cncn2CCCOc2cccc(C)c2)c1C 19719616 BRZQEQHCZPTOFD-UHFFFAOYSA-N 338.455 4.161 0 40 EIAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccc(F)c1 20728569 HYDMISNIBPNAHD-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB CSCc1nnc(SCc2csc(-c3cccs3)n2)o1 22094472 ADRDSMQSXWGKJB-UHFFFAOYSA-N 341.508 4.410 0 40 EIAB CN(C)[C@H](CNCc1ccc(-c2ccccc2F)o1)c1ccco1 22095735 HFYKODGJMWLBCR-QGZVFWFLSA-N 328.387 4.071 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)c1 22500236 TUFZZWLWUZWNIT-UONOGXRCSA-N 345.464 4.062 0 40 EIAB Cc1ccsc1CNC(=O)c1cc(C)n(Cc2ccco2)c1C 25999179 NYCLRBCLTLNTIZ-UHFFFAOYSA-N 328.437 4.046 0 40 EIAB CCc1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)cc1 27974155 PRPVOLHRPDZJQG-UHFFFAOYSA-N 336.391 4.377 0 40 EIAB CCc1ccc(NC(=O)CSc2noc(-c3ccccc3)n2)cc1 28527201 ZDTPRIYZNCDKGZ-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)c2ccccc2)s1 29507242 FVRJETFFQSPECB-UHFFFAOYSA-N 340.423 4.463 0 40 EIAB Cc1cc(C)nc(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 30316243 ZNUOVUVKMSHBLZ-ZDUSSCGKSA-N 349.887 4.059 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccccc1Cl 32029440 DDJRTRAZWCQZDL-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB COc1ccc(CN(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1F 32751483 OJJASTLUXOIGSG-UHFFFAOYSA-N 344.361 4.260 0 40 EIAB C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccc(F)c2)c(OC)c1 32983540 FCFUZZLJOPIDKL-YVZNUBBCSA-N 343.398 4.124 0 40 EIAB C[C@H]1CCCC[C@H]1NC[C@H](O)COc1ccc(-c2ccccc2)cc1 35986624 HCVTZZOECXSSPG-RBDMOPTHSA-N 339.479 4.262 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@H](c2cccc(O)c2)C1 36358031 LXFGWGLZEXESRT-ZDUSSCGKSA-N 339.782 4.355 0 40 EIAB CC(C)=CCC/C(=C\CC/C(C)=C/CC/C(=C/CO)CO)C(=O)O 36374659 GWVCYAYKRPLWGK-AAMZJHKISA-N 336.472 4.162 0 40 EIAB biogenic,in-vitro Cc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Br 44028633 ILNXJDSBQWMRJP-GXDHUFHOSA-N 341.208 4.303 0 40 EIAB NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 45887651 UIDODJHUYRGJKC-UHFFFAOYSA-N 338.219 4.457 0 40 EIAB O=C(NCc1ccc(Br)cc1)c1c(F)cccc1Cl 48817056 ICHOJTXIRONALO-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB c1ccc(-c2nc(CN3CCC(N4CCCCC4)CC3)cs2)cc1 52002594 SEMSADLYRRDNHE-UHFFFAOYSA-N 341.524 4.260 0 40 EIAB FC(F)(F)c1cnc(SCc2noc(C3CC3)n2)c(Cl)c1 52875908 ZDSBNNYLPMEJAP-UHFFFAOYSA-N 335.738 4.307 0 40 EIAB O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccncc1 54836914 OIPMWRPRGMHXCT-UHFFFAOYSA-N 344.374 4.087 0 40 EIAB CN(Cc1csc2ccccc12)C(=O)c1ccc(NC2CC2)nc1 57214194 KROFQLWCKRCDGX-UHFFFAOYSA-N 337.448 4.143 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Br)cn2)cc1Cl 61872848 UNDYRGMQUUKKQY-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)c2nc(-c3cccnc3)cs2)c(C)c1 69633260 CYGKFWRKGPSRLD-CQSZACIVSA-N 337.448 4.313 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)cnc1N1CCCCC1 72219168 AGLHNODEVIFACJ-HXUWFJFHSA-N 349.478 4.358 0 40 EIAB Cc1cnc([C@H](NC(=O)C2CCC(n3cccc3)CC2)C2CC2)s1 72296838 HKNWZZGIGCROBY-OFLPRAFFSA-N 343.496 4.252 0 40 EIAB COc1c(Cl)cc(NCc2csc(NC(C)=O)n2)cc1Cl 75092083 HYUFFQJAIVUZFF-UHFFFAOYSA-N 346.239 4.029 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@H]2CCCC[C@H]21 75108212 VIMWLXBDGDXBMK-MSOLQXFVSA-N 346.471 4.045 0 40 EIAB Cc1csc(CCNc2nc(C(F)(F)F)nc3ccccc23)n1 84268299 PXDSOSXTQLCQQY-UHFFFAOYSA-N 338.358 4.068 0 40 EIAB O=C(/C=C/c1cnccn1)Nc1ccc(SC2CCCC2)cc1 84405266 JMIDULIBBHHIGX-JXMROGBWSA-N 325.437 4.163 0 40 EIAB O=C1C[C@@H](c2ccccc2Cl)Cc2nc(Br)sc21 85389943 ZYQGUGPUIQCHMG-ZETCQYMHSA-N 342.645 4.472 0 40 EIAB CSCC[C@H](N[C@H](C)c1cccc(C)c1)c1nnc2ccccn12 95419560 KVQVFBJSCAZXGB-WBVHZDCISA-N 340.496 4.183 0 40 EIAB C[S@@](=O)Cc1cccc(NCc2csc(-c3cccs3)n2)c1 95429162 MYLDRBYTYWXVOL-QFIPXVFZSA-N 348.518 4.362 0 40 EIAB CCc1cnc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)o1 95966030 LTHDERXBZVVUBN-UHFFFAOYSA-N 347.418 4.052 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)N(Cc1ccccc1F)C1CCC1 96467170 LGOIFXSDZHOEBJ-LBPRGKRZSA-N 345.418 4.256 0 40 EIAB Cc1csc([C@@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 96478504 ZEFBQNGFORPTFK-UGSOOPFHSA-N 344.480 4.415 0 40 EIAB CC1(C)C[C@H](NCc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)O1 97164309 RRUFBGMALPDSQC-HNNXBMFYSA-N 334.847 4.431 0 40 EIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118914890 XNJOZXWLEFEFEX-JPDRSCFKSA-N 334.500 4.133 0 40 EIAB CO[C@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1Cl 206855552 MOPBRYWKHUABQN-QGZVFWFLSA-N 332.831 4.466 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2ccc(C)c(C)c2)c1 224617283 CXMBRVDGRWFVRY-UHFFFAOYSA-N 341.451 4.421 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1C 224825012 LKDOBGZZFKEFAM-HXUWFJFHSA-N 333.435 4.121 0 40 EIAB Cc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)c(C)c1 225777851 RHTJNEHNAAZCFC-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB COc1ccc(SCCCNC(=S)Nc2ccccc2)cc1 225802104 MULHYQWAQRAWKN-UHFFFAOYSA-N 332.494 4.164 0 40 EIAB S=C(NCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 243858990 RIBRSXNNEXSFDN-UHFFFAOYSA-N 328.525 4.052 0 40 EIAB Cc1cc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1Br 260658776 IVDFAQJGBZGLFB-MJVIPROJSA-N 339.302 4.233 0 40 EIAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCC 408605466 HHKVTJBSNXFRQE-UHFFFAOYSA-N 349.814 4.448 0 40 EIAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccncc1 408844481 TVTGJPXKOBIBKI-FMIVXFBMSA-N 340.791 4.294 0 40 EIAB COC(=O)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCCC[C@H]23)cc1 409188568 DOKUGOFEYYSJIK-AYOQOUSVSA-N 341.382 4.247 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccccc1-c1cn2c(n1)CCCC2 575619930 NFSHMUHPWTVOPQ-UHFFFAOYSA-N 349.409 4.207 0 40 EIAB C[C@H](c1ccccc1)N1C[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]21 1857793336 UUSBFMLVGPMZAK-KBAYOESNSA-N 330.472 4.079 0 40 EIAB Cc1ccccc1CN1CCC2(CC1)CC(NC(=O)OCC(C)C)C2 2056225865 DJYTWGAZWKSODF-UHFFFAOYSA-N 344.499 4.122 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 130151 VEAAJCAQUORQBA-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)ccc1Cl 549695 VNHGTXZRTKLTAX-CQSZACIVSA-N 344.842 4.000 0 40 EIAB Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2)CC1 1370999 AZGOCSUMCIHMMY-UHFFFAOYSA-N 334.423 4.214 0 40 EIAB CN(Cc1cccs1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 3398759 BYTWZQMFIGRUHZ-UHFFFAOYSA-N 335.428 4.251 0 40 EIAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccc(Cl)cc1 3442608 PNLOBINYWVDYSD-UHFFFAOYSA-N 337.828 4.334 0 40 EIAB CC(C)c1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 3647907 YNSJCHASNBUDHY-INIZCTEOSA-N 326.421 4.448 0 40 EIAB C[C@]12Cc3conc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4198994 NSYTUNFHWYMMHU-KDNKFBIHSA-N 329.484 4.383 0 40 EIAB N=C1NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1 5027431 MCNIXRWSSHCKSP-DHDCSXOGSA-N 344.823 4.058 0 40 EIAB Cc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 5137522 CSVFYYYEYSIJDH-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB Cc1cccc2cc(CN(C(=O)C3CCCCC3)C(C)C)c(=O)[nH]c12 5818545 AOIPWNMPWJDPOU-UHFFFAOYSA-N 340.467 4.154 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1cccc(OC(F)F)c1 6485807 YJIUCTGHDXYKHS-UHFFFAOYSA-N 335.331 4.255 0 40 EIAB Cc1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)o1 6601520 NXVREGBFAOCCCL-UHFFFAOYSA-N 335.403 4.292 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H]2CCCc3ccccc32)c1C 7546175 RJVYRMJVTMHWHI-KDOFPFPSSA-N 338.451 4.073 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 7709452 NXRBGUFQZKPFHU-UHFFFAOYSA-N 326.421 4.159 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1cccc(Cl)c1 8274237 COOGHIPZHDOEBE-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2C1 8429209 XHUPXVOUFLVTEN-LBPRGKRZSA-N 348.402 4.274 0 40 EIAB Fc1cccc(OCc2nnc(-c3ccc(Br)cc3)o2)c1 9153937 RWAHNMPZEQAJFX-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB Cc1ccc(-c2cc(NC(=O)COc3cc(C)cc(C)c3)on2)cc1 9194926 UWGUQXMARPNBIS-UHFFFAOYSA-N 336.391 4.284 0 40 EIAB CSc1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694992 DVTGAZLQCBUWKR-UHFFFAOYSA-N 327.858 4.004 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc1C 10129992 NTSLRZFCRMXVEK-UHFFFAOYSA-N 347.418 4.485 0 40 EIAB COc1ccc(CN2Cc3cc4c(C)cc(C)cc4nc3OC2=O)cc1 12222976 AQCGXTVLZGVGOG-UHFFFAOYSA-N 348.402 4.375 0 40 EIAB CC(=O)c1cccc(NC(=O)Cc2nc(-c3cccs3)oc2C)c1 12820933 OIQSPHJSWUDECD-UHFFFAOYSA-N 340.404 4.095 0 40 EIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NC1CCCCC1 12870931 LBTOJITZLPAFAA-UHFFFAOYSA-N 347.509 4.298 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H]1CCc2ccccc21 12922766 NEMDARSPMGQNQX-GUYCJALGSA-N 328.843 4.253 0 40 EIAB C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 13783488 UJVLDDZCTMKXJK-BXOMYGOZSA-N 340.463 4.370 0 40 EIAB in-vitro Fc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c(F)c1 15086126 JZEXZHCQOZXUMY-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB O=C(CNc1ccc(Cl)cc1F)N[C@@H]1CCCc2ccccc21 15122787 DLWAWXCXYYWIDQ-MRXNPFEDSA-N 332.806 4.085 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)o1 15860243 XHJBJMHRCUMTTP-HXUWFJFHSA-N 348.446 4.308 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC)c(Cl)c1 20455815 RCBFHDWMHOTZMT-INIZCTEOSA-N 349.814 4.153 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN[C@@H]1CCCC[C@H]1C 28297092 XYNAGHMHYXSCDA-XFQXTVEOSA-N 328.500 4.096 0 40 EIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc2ccccc12 32721271 ZYEWZWRPWNWQIS-JOCHJYFZSA-N 344.458 4.407 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccs1)c1cccc(Br)c1 32796358 KRJSVNGHNQFKFP-AEZGRPFRSA-N 336.254 4.401 0 40 EIAB CCCCC[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C/CCCC(=O)O 33822366 NNPWRKSGORGTIM-YRAAGGQXSA-N 336.472 4.158 0 40 EIAB Cc1ccsc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 40162211 JSZWYFMNOUMREQ-UHFFFAOYSA-N 343.448 4.370 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1Cl 40478375 URBBXNMNPBQGPB-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 40526947 DFRGXNBHQGEHGL-UHFFFAOYSA-N 337.423 4.007 0 40 EIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cnc(-c2ccccc2)nc1 58161609 UROGCGMHFVLERH-PXNMLYILSA-N 333.778 4.290 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 58345260 ARGJYQXQVRSPJX-UHFFFAOYSA-N 339.391 4.379 0 40 EIAB O=C([C@@H](NCc1cc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 58472135 HKAVOAZNDGQVOU-NRFANRHFSA-N 347.462 4.011 0 40 EIAB O=C(CSCc1cccnc1)N(Cc1ccco1)c1ccccc1 69349012 DVJNOEOHLCKHOV-UHFFFAOYSA-N 338.432 4.141 0 40 EIAB COc1ccc([C@@H](C)Nc2ccc(N3CCOC3=O)cc2)cc1Cl 71902560 NZSJRGIYFOETST-GFCCVEGCSA-N 346.814 4.478 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 72213874 XBUVDBBQOGHUBF-LJQANCHMSA-N 335.451 4.413 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)CCc2ccccc2C1 72302692 ANMMBZRKODEVEO-FQEVSTJZSA-N 327.855 4.494 0 40 EIAB O=C(NCc1ccc(Br)cc1)c1cc(F)ccc1Cl 72331791 CYUUJAAHSPTXJZ-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB Cn1c(Cl)cnc1CSc1ncc(C(F)(F)F)cc1Cl 72766060 FFDMMMDUZJEUEC-UHFFFAOYSA-N 342.173 4.433 0 40 EIAB O=C(Nc1nc(-c2ccccc2)ns1)c1cc(-c2ccccc2)on1 77893029 ANRUELNEUZTXMT-UHFFFAOYSA-N 348.387 4.112 0 40 EIAB COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C)CC3)ccc21 78482896 PCYHUEBCUOEWCS-HNNXBMFYSA-N 342.483 4.167 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 79320657 HUKIDKDCCLNDOL-SJKOYZFVSA-N 345.874 4.158 0 40 EIAB C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)[C@@H](C)CO1 84705532 GCJMTZUUGJVYCA-QWRGUYRKSA-N 331.462 4.365 0 40 EIAB COc1cc2c(cc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F)O[C@H](C)C2 84718062 KNQCITVAWDNUOT-BYCMXARLSA-N 343.389 4.229 0 40 EIAB Cc1cnc(C[S@@](=O)Cc2ccccc2Oc2ccccc2)o1 85223885 NEXWUDIVZJGGLR-HSZRJFAPSA-N 327.405 4.224 0 40 EIAB CC[C@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 85557325 JJVCTTBMLYUQNM-SFHVURJKSA-N 333.391 4.401 0 40 EIAB Cc1nc(NC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)oc1C 95428467 YMKPVIMJGRSGLI-VQIMIIECSA-N 325.412 4.225 0 40 EIAB CCNc1ccc(Br)cc1NC(=O)[C@@H](C)c1cccnc1 97048605 BWJAVKSQEARXRU-NSHDSACASA-N 348.244 4.018 0 40 EIAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 113943600 YPUJALFZMYDVNB-AWEZNQCLSA-N 347.842 4.211 0 40 EIAB Cc1nn(Cc2ccccc2)c(N)c1-c1ccc(Br)cc1 199749783 UVJQNTWPEVOLRM-UHFFFAOYSA-N 342.240 4.252 0 40 EIAB CCOc1nc(C)c(NC(=O)Nc2ccc(C)cc2Cl)c(C)n1 206720052 YNHYFNHRQDOYCS-UHFFFAOYSA-N 334.807 4.098 0 40 EIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C 222904024 VHZLVBGREMEDQO-LSDHHAIUSA-N 331.510 4.080 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)c1 223269058 QTUWKECDVJXSMQ-UHFFFAOYSA-N 337.463 4.002 0 40 EIAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CCCC3)o2)c1 224902406 QCEPMFRYSCHIDL-UHFFFAOYSA-N 348.402 4.253 0 40 EIAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccs1 225129200 FNDLUXYYWNAZMD-UHFFFAOYSA-N 336.265 4.270 0 40 EIAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(F)cc1Cl 225654557 PCFDMGRBQDRRIR-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB CC(C)c1cccc(C(=O)[C@H](Br)CBr)c1 382675575 OVUGZZLXTDHDNF-LLVKDONJSA-N 334.051 4.151 0 40 EIAB COc1ccc(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 408562869 GGXZERYCHDQTPU-UHFFFAOYSA-N 345.508 4.013 0 40 EIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408708512 JFWFDNBGLRUDSA-HNNXBMFYSA-N 332.488 4.255 0 40 EIAB COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc(C(F)F)c12 575629360 SHLOXNQHZRHVTL-UHFFFAOYSA-N 340.326 4.239 0 40 EIAB Cc1ccc(CN(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)nc1 649897809 LLECHHUPAWRJMI-UHFFFAOYSA-N 336.439 4.195 0 40 EIAB CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1 53952 JFPVXBAUWNUTTK-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB Clc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1 88084 LEEDJVYUVHOTHZ-UHFFFAOYSA-N 330.178 4.117 0 40 EIAB CCCc1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)cc1 147511 JPKLHSGTGSNOMK-UKTHLTGXSA-N 326.392 4.275 0 40 EIAB Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1C 181505 MJWHAXWVHSVCPI-UHFFFAOYSA-N 345.752 4.119 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1nccs1 413590 FZLQKXNTBZOSJE-UHFFFAOYSA-N 343.477 4.293 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1 415490 HQHSGVXKWMZLRE-UHFFFAOYSA-N 347.484 4.091 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccccc2)cc1Br 570567 ZRZVHQMBIABWMH-JXMROGBWSA-N 332.197 4.110 0 40 EIAB COc1ccc(N2C(=O)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 1714391 MRFTYKHBSOCUAM-SFQUDFHCSA-N 335.403 4.166 0 40 EIAB CSc1nsc(SCSc2nc3ccccc3o2)n1 2505925 UIAITCNHBPGRCS-UHFFFAOYSA-N 327.481 4.243 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)cc1 3290720 KIOPNTBWWZUGFS-INIZCTEOSA-N 348.446 4.006 0 40 EIAB Cc1ccccc1CSc1ccc(-c2ccc3c(c2)OCO3)nn1 4356649 NIKJAKCKBNRSGG-UHFFFAOYSA-N 336.416 4.473 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 4517449 LZVDVASZHUMIEP-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB CCCCN(C(=O)C1CCC1)c1nnc(-c2cccc(C)c2)s1 4982520 MWAJRNNOVVWABE-UHFFFAOYSA-N 329.469 4.447 0 40 EIAB C[n+]1ccc(/C=C/c2cccn2CCOc2ccc(Cl)cc2)cc1 5002277 HYGPZZRCMZPIIQ-UHFFFAOYSA-N 339.846 4.215 0 40 EIAB CSc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 5602499 HWRKUWDLTVTAEQ-UHFFFAOYSA-N 331.821 4.002 0 40 EIAB COc1cc(NC(=O)c2cccc(Cl)c2Cl)cc(OC)c1 5681925 YKXUXRABUQKMPV-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CCc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccccc1)=N2 6519743 MKTNGSUGPSBXMK-UHFFFAOYSA-N 326.403 4.078 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 8273862 WJQMTHUFGPXIAR-MRXNPFEDSA-N 347.462 4.299 0 40 EIAB COCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8469233 HOLAXOJLTCHKJQ-UHFFFAOYSA-N 340.250 4.308 0 40 EIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccccc1 8762032 VXOOJYJSISOGKL-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB CN(CCc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl 9495111 BZWTYRHVHZSJJQ-UHFFFAOYSA-N 337.250 4.106 0 40 EIAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)c(Cl)c1 10311108 ASBFEAMZPYWFIB-SFHVURJKSA-N 328.843 4.424 0 40 EIAB Cc1ccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 12112990 LAUVKYXSXLKKCU-OAHLLOKOSA-N 330.384 4.081 0 40 EIAB O=C(c1ccccc1F)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188010 SEGYDDHUOUVLFC-KRWDZBQOSA-N 334.394 4.394 0 40 EIAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(F)c1 12798193 PNZRUKRICGNWKI-UHFFFAOYSA-N 341.361 4.328 0 40 EIAB CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc2ccccc2c1 12910443 OJKYIUBXEWLHOU-UHFFFAOYSA-N 340.373 4.189 0 40 EIAB COc1ccc([C@@H](C(C)C)N(C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 13681145 GQALBBCARRXNIU-PKOBYXMFSA-N 333.472 4.198 0 40 EIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 13708459 PEUJWPIBTMBMNP-CQSZACIVSA-N 349.386 4.017 0 40 EIAB COc1ccc2c(ccn2CCC(=O)Nc2cccc3ncccc23)c1 13723509 NEQDIKNVMAHUOO-UHFFFAOYSA-N 345.402 4.227 0 40 EIAB Cc1ccsc1CN(CCCO)Cc1ccccc1C(F)(F)F 13997302 LHIJWSQKWZWYLV-UHFFFAOYSA-N 343.414 4.460 0 40 EIAB CC(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1 16017083 KUTYINTZLUJLCS-UHFFFAOYSA-N 330.453 4.304 0 40 EIAB Clc1ccccc1COc1ccc(CNC[C@@H]2CCCO2)cc1 16449869 JOZYBTUUABYQNK-SFHVURJKSA-N 331.843 4.188 0 40 EIAB O=C(Nc1ccc(F)cc1F)Nc1ccccc1Br 16450387 NCDFWBQYXLQYDZ-UHFFFAOYSA-N 327.128 4.371 0 40 EIAB CCOc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c(OCC)c1 17299838 BIZXHGQMSQSCTC-HMHNVIDESA-N 349.452 4.319 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1 19931452 BDYIATVAEJEKLA-UHFFFAOYSA-N 333.435 4.100 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20141823 XNBHGQZJHBRXQA-UHFFFAOYSA-N 333.771 4.078 0 40 EIAB CC(C)c1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccccc1 20638493 UNJGSFVHEUERER-UHFFFAOYSA-N 329.407 4.164 0 40 EIAB CC(C)Cc1noc(CSc2nc(C3CC3)nc3ccccc23)n1 23043509 ZKGUCCMZAIMRRH-UHFFFAOYSA-N 340.452 4.381 0 40 EIAB Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2)c2ccccc2n1 23142575 ZONSUSCLSFNBSR-UHFFFAOYSA-N 342.402 4.040 0 40 EIAB CN(Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc2ccccc2c1 24814373 VMSFEABWBXEGHP-UHFFFAOYSA-N 349.821 4.138 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(C2CC2)cs1 25560413 DHSWRVOKYALTRA-UHFFFAOYSA-N 336.844 4.470 0 40 EIAB O=c1c2ccc(F)cc2ncn1Cc1sc2ccccc2c1Cl 25858979 YIJCGISFYIRRBS-UHFFFAOYSA-N 344.798 4.452 0 40 EIAB CC(C)COc1ccc(NC(=O)c2cc(C3CC3)on2)cc1Cl 30512127 RQMONYUSQHWOFD-UHFFFAOYSA-N 334.803 4.493 0 40 EIAB O=C(O)/C=C\c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 33369337 IWJRYTKXVCCIKN-VURMDHGXSA-N 333.174 4.406 0 40 EIAB COc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1 40032433 ROVUVVLHSBHRIF-UHFFFAOYSA-N 349.312 4.376 0 40 EIAB CCOc1ccccc1-c1noc(CN[C@H](c2ccccc2)C2CC2)n1 40033505 LJTVGGPYGMXVFN-HXUWFJFHSA-N 349.434 4.376 0 40 EIAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 40152248 CXAHRZGUNQLQOW-UHFFFAOYSA-N 349.837 4.075 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)NCc1cccnc1OC1CCCC1 42075948 TVHIXNMQJZAPHL-UHFFFAOYSA-N 349.434 4.123 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 44945843 NFDZGYRNXAGZCX-KXBFYZLASA-N 341.451 4.292 0 40 EIAB COc1cc(NC(=O)Nc2cccc3ccccc23)ccc1NC(C)=O 48356290 DEXCAOANDSQHIK-UHFFFAOYSA-N 349.390 4.451 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1 59351913 OJPSVEIEFGGSCL-OAHLLOKOSA-N 327.424 4.075 0 40 EIAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NCC1CC1 67890297 FYRHVZIBDIKNTM-UZLBHIALSA-N 340.467 4.210 0 40 EIAB biogenic,in-vitro CN(C(=O)c1cccs1)[C@@H](c1cccc(F)c1)c1ccccn1 69570520 TWNBKXRAGSVCOW-KRWDZBQOSA-N 326.396 4.144 0 40 EIAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(Cl)cc1Cl 71281776 LRBUSALMRGOGFM-JTQLQIEISA-N 340.210 4.188 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 78578950 WSIZHYVUGKWQFF-GFCCVEGCSA-N 338.234 4.499 0 40 EIAB COc1ccc(Br)cc1SCCCn1ccnc1C 84290908 BAUMHBWPYNEMFI-UHFFFAOYSA-N 341.274 4.145 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccc(N4CCCCC4)cn3)coc2c1 89665689 XTOXFRMBEMGLLS-UHFFFAOYSA-N 349.434 4.308 0 40 EIAB Cc1cc(NC(=O)NC2(C)CCCCC2)ccc1OC1CCOCC1 95399560 PGCBJNHSGCGULG-UHFFFAOYSA-N 346.471 4.397 0 40 EIAB C[C@H](NC(=O)/C=C/COCc1ccccc1)c1ccccc1Cl 95939763 SPLLAGRLLVNQMZ-BLMSOEDDSA-N 329.827 4.290 0 40 EIAB C[C@H](c1cccnc1)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 95962075 GPKXMOPMHAKDCH-CYBMUJFWSA-N 349.409 4.480 0 40 EIAB C1=C[C@H]2[C@H](C1)[C@@H]1C[C@@H](OCCO[C@@H]3C[C@H]4C[C@H]3[C@H]3C=CC[C@H]43)[C@@H]2C1 100197780 PSUKSRYRAXNSIY-FUOUIWSOSA-N 326.480 4.221 0 40 EIAB COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 101138527 WSCCZHJZVDZUSC-AUNNOQBQSA-N 344.451 4.164 0 40 EIAB biogenic COCc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)o1 192588530 SYAJNEQQENUGHF-UHFFFAOYSA-N 338.363 4.174 0 40 EIAB CCOc1ccc2nc(S[C@H]3C(=O)[C@H]4CC[C@@]3(C)C4(C)C)[nH]c2c1 221886005 DMHROJCTYQWEMO-RNRVQEDPSA-N 344.480 4.448 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 223146821 PBOQIWPCWPKCFD-GJZGRUSLSA-N 341.426 4.349 0 40 EIAB C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc2c(c1)CCC2 223249135 PQGRSQYQPYYKRT-MRXNPFEDSA-N 349.474 4.310 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC[C@@H](C)c1ccccc1 224451802 VEGQFFLRBFFOAD-XLIONFOSSA-N 325.452 4.381 0 40 EIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1 224473282 ASGVHMIGWYEPEN-KRWDZBQOSA-N 349.883 4.406 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC1=CCCCC1 225113558 RUYABUWAUQIVIK-MRXNPFEDSA-N 327.468 4.339 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 225306107 VRQPITUKCHFSAF-UHFFFAOYSA-N 331.843 4.376 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1Cl 225365240 YWELKJRLXNHVHO-UHFFFAOYSA-N 343.810 4.452 0 40 EIAB COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1 390831514 SGWWQLWZUHZVFK-UHFFFAOYSA-N 347.414 4.303 0 40 EIAB CCOc1cccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c1O 409121565 YMHXMPFFZBEUQF-ATVHPVEESA-N 337.419 4.334 0 40 EIAB Cc1cc(N2CCC[C@](C)(c3ccccc3)C2)nc(-c2ccncc2)n1 500433917 VEZZXISKLLMJOK-QFIPXVFZSA-N 344.462 4.405 0 40 EIAB O=C(O)c1ccc(CN2CCCCC[C@H]2/C=C/c2cccs2)o1 563967582 ZCKBRIIPXSAISB-KGXGESDWSA-N 331.437 4.497 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)o1)C1(c2ccc(F)cc2)CC1 575609434 BQYRWTDOUBMPGY-UHFFFAOYSA-N 325.339 4.027 0 40 EIAB CC[C@@H](c1ccc(F)cc1)c1nnc([C@H]2COc3ccccc3C2)o1 1615546495 OQEJXTZFUNZAFJ-WBVHZDCISA-N 338.382 4.469 0 40 EIAB FC(F)(F)c1cc(-c2cccs2)n(-c2ccc(Cl)nn2)n1 152899 OVRBKCCUUYQYMB-UHFFFAOYSA-N 330.722 4.063 0 40 EIAB COc1cccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c1 324361 MEVFHNHMJKWHDP-CPNJWEJPSA-N 329.355 4.193 0 40 EIAB Cc1nnc(NC(=O)CC2c3ccccc3Oc3ccccc32)s1 412892 NRVZGAAZAOEOCD-UHFFFAOYSA-N 337.404 4.113 0 40 EIAB CCn1c(COc2ccccc2)nnc1SCCc1ccccc1 419276 RLWXSKISDXMQQJ-UHFFFAOYSA-N 339.464 4.212 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 514185 GKSAHVFIPXJJSW-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB COc1ccc(-c2csc(Nc3ccc(C)cn3)n2)cc1OC 813380 AFCAJMGVUCYKBX-UHFFFAOYSA-N 327.409 4.274 0 40 EIAB Cc1ccc(-c2cc(N)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1 1405083 ZTIBNVCHNWKOJA-UHFFFAOYSA-N 348.431 4.259 0 40 EIAB CCN(C(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 1754283 ZRNQXHHGHVBGRF-UHFFFAOYSA-N 334.803 4.416 0 40 EIAB CCN(CC)C(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 2446519 VICUUINYNATGAH-LJQANCHMSA-N 329.415 4.225 0 40 EIAB COc1ccccc1OCc1csc(NC(=O)C2CCCCC2)n1 3245637 TYLKBILCBNKAKF-UHFFFAOYSA-N 346.452 4.250 0 40 EIAB COc1ccc(CCNC(=O)[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1OC 4350083 UAUBDALLXPVFIX-NJAFHUGGSA-N 347.499 4.071 0 40 EIAB COCCn1c(-c2ccccc2)cnc1NCc1ccc(Cl)cc1 4679212 FBSLHUOJNWRAAS-UHFFFAOYSA-N 341.842 4.462 0 40 EIAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccncc2)N3)C1 4913770 ISIBJCIQXCPWSD-BLLLJJGKSA-N 341.480 4.148 0 40 EIAB O[C@H]1c2cc(Cl)cc(Cl)c2O[C@@]2(N3CCCC3)CCCC[C@H]12 5664714 WLUNTGWRRIECID-KMFMINBZSA-N 342.266 4.402 0 40 EIAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc2ccccc2n1 5848166 SWGTUPURMAHOKJ-UHFFFAOYSA-N 330.343 4.247 0 40 EIAB CCCCN(CCCC)C[C@@H](O)c1cccc(Br)c1 5973447 KANSWLPZEXXYHE-MRXNPFEDSA-N 328.294 4.385 0 40 EIAB O=C(NCCSc1ccc(Br)cc1)c1cccs1 6544713 BLLGUPCMLQPRGI-UHFFFAOYSA-N 342.283 4.033 0 40 EIAB CC[C@H](C)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 6833706 CFIGYKSADSQWAZ-LBPRGKRZSA-N 344.436 4.150 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CC2)c1 6888856 VQGRWAHABGWGNB-UHFFFAOYSA-N 348.324 4.306 0 40 EIAB CCN(C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 6939066 UXWBZOSDJIYNIY-KXBFYZLASA-N 339.907 4.433 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 7828640 DNHXTUWGAQEYTF-UHFFFAOYSA-N 336.435 4.205 0 40 EIAB COc1cc(OC)c(NC(=O)CCOc2cccc(C)c2)cc1Cl 9449209 SGNNANHBPZLJGK-UHFFFAOYSA-N 349.814 4.073 0 40 EIAB Cc1ccsc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 10593076 BTXOOSBLPZZFCO-UHFFFAOYSA-N 334.828 4.089 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1cc2ccccc2o1 10994632 FNMWIGJCWOOFOJ-UHFFFAOYSA-N 331.371 4.395 0 40 EIAB Cc1occc1-c1nnc(S[C@H]2CCCC2=O)n1-c1ccccc1 12640089 IOHVNPMGSOJNCY-INIZCTEOSA-N 339.420 4.049 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1F 12796373 LBXFZOCUXVMLQW-STQMWFEESA-N 335.806 4.432 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccsc2)no1 12986215 WRAYAQZSWUEHRX-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB Fc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1 13786948 LHYJQPMIZKMJME-UHFFFAOYSA-N 339.233 4.075 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 14022906 OCQZOHOGMFERPS-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)c1 14258018 BEABVMKWZNYUIZ-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB COc1ccccc1/C=C/C(=O)NCc1cccc(C(F)(F)F)c1 14790091 XESCDGBKVDDJET-MDZDMXLPSA-N 335.325 4.044 0 40 EIAB CCOc1ccc(SCC(=O)Nc2ccccc2OCC)cc1 19167375 RCTFTUSEBLGQOW-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1SCc1ccco1 19798494 FVXVXLIGZGMDDH-IBGZPJMESA-N 345.464 4.483 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2cnc3ccccc3c2)cc1C 21137348 GMQMZJCQNKDUKA-UHFFFAOYSA-N 332.403 4.453 0 40 EIAB COCc1c(C(=O)N[C@H](C)c2ccccc2OC)oc2ccccc12 22367583 SBBFOHBSSACPJF-CYBMUJFWSA-N 339.391 4.079 0 40 EIAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 22414758 FZWVHKDKIPOVLX-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COC(=O)c1ccc(CN2CCCCC[C@H]2c2ccc(OC)cc2)o1 29155795 FRAOSMWBOUFOJT-SFHVURJKSA-N 343.423 4.192 0 40 EIAB Cc1ccc2c(CC(=O)NCCSCc3ccsc3)coc2c1 30557310 FXWFGNPAKVGIHB-UHFFFAOYSA-N 345.489 4.395 0 40 EIAB O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1ccccc1 32768418 QKALKGCCMRMKEZ-NRFANRHFSA-N 329.399 4.224 0 40 EIAB COC(=O)c1oc(CN(C)[C@@H](C)c2cc3ccccc3o2)cc1C 32825277 UPLKQRZULKAGEB-ZDUSSCGKSA-N 327.380 4.314 0 40 EIAB CC(C)c1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 36738473 TYVPQFHVZCAAAD-UHFFFAOYSA-N 333.229 4.407 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 38849307 SAPQAPCOFDKHHH-OAHLLOKOSA-N 326.415 4.310 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)c(C)c1 45890290 DSVBXQHVSMRYQH-UHFFFAOYSA-N 332.831 4.119 0 40 EIAB O=C(CSc1ccc(O)cc1)Nc1ccc(N2CCCCC2)cc1 47895723 QWGJXPZCJRUIBG-UHFFFAOYSA-N 342.464 4.113 0 40 EIAB Cc1csc2nc(CN[C@H](c3cccs3)C(C)(C)C)cc(=O)n12 54417291 MIJGQYYIESBNNE-OAHLLOKOSA-N 347.509 4.003 0 40 EIAB CC(C)N(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 58023360 SKSVJXIVWWXCBN-FQEVSTJZSA-N 340.442 4.404 0 40 EIAB O=C(c1cccc[n+]1[O-])N(Cc1cccc2ccccc12)C1CCCC1 69615843 FGTAANHSAVHONK-UHFFFAOYSA-N 346.430 4.058 0 40 EIAB Cn1cc([C@H]2CCCN2Cc2coc(-c3ccccc3Cl)n2)cn1 71797108 LOHOXHVUWRQTMA-QGZVFWFLSA-N 342.830 4.066 0 40 EIAB O=C(c1ccccc1)c1cccc(NC(=O)c2cc(C3CC3)on2)c1 72065316 BJJSEBDQXKMFKY-UHFFFAOYSA-N 332.359 4.035 0 40 EIAB CCCOc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 79107141 MTMJGJBGSZMYIH-GFCCVEGCSA-N 335.350 4.160 0 40 EIAB C[C@H](NCCn1cnc2ccccc21)c1ccc(Br)cc1 84651513 SPNOQATXOBTOLG-ZDUSSCGKSA-N 344.256 4.150 0 40 EIAB Fc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1 95080921 YTLKSQKFQZWXKJ-UHFFFAOYSA-N 338.348 4.167 0 40 EIAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccccc2)SC1 95477837 ZWNOAXOKKFFNTE-INIZCTEOSA-N 341.461 4.417 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccccc2C(F)(F)F)C1 95830733 BAWKASDHPYRAAQ-LLVKDONJSA-N 331.334 4.094 0 40 EIAB CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)NC(=O)CC2 95965236 CKXJSIHNBDBBGF-MRXNPFEDSA-N 329.444 4.004 0 40 EIAB F[C@H](C(F)(F)F)C(F)(F)COc1cccc(Br)c1 96508971 WNCKFAXQDAESPU-QMMMGPOBSA-N 337.057 4.364 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1C 100746012 VZNKPVJIYXDMTG-QCFAMHMHSA-N 347.458 4.486 0 40 EIAB COc1ccc2[nH]cc(C[C@H]3C(=O)Nc4cc(Cl)ccc43)c2c1 100794387 IQBXGQDHLSQCCZ-OAHLLOKOSA-N 326.783 4.108 0 40 EIAB biogenic C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1COc1ccccc1F 100886348 RWGLFPMJGRSQIX-XUXIUFHCSA-N 347.459 4.282 0 40 EIAB CSc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1 222850781 RYPIAEUCNWCBTC-UHFFFAOYSA-N 343.473 4.040 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSc1ccccc1 222947336 BXRBCUFNWYFTKY-SFHVURJKSA-N 343.492 4.369 0 40 EIAB CCc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224933177 QYBJMYAMASNZMY-UHFFFAOYSA-N 344.263 4.381 0 40 EIAB COc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1Cl 225122723 ACKDUHOYOFTCCE-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB CC(C)CNC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 225457916 BCSNHDIGEBQOGT-UHFFFAOYSA-N 345.443 4.020 0 40 EIAB O=C(NCc1cccnc1-c1ccncc1)Nc1ccc(Cl)cc1 225750084 CTTGTCCYVLWCJD-UHFFFAOYSA-N 338.798 4.119 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1 227163834 SKQQEGALUWGISD-UHFFFAOYSA-N 330.403 4.131 0 40 EIAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@H]4C3)c2c1 253590102 CGLBQXCRGUSAEM-JTDSTZFVSA-N 339.483 4.427 0 40 EIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C)c4)OCC[C@@]31C2 257281512 OPOJADODWGJIMV-AABFTTDASA-N 341.495 4.404 0 40 EIAB O=C(Cc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccn1 507754668 OUFMFINGKOBABM-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB CCc1cc(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)no1 1119751087 YCKQLOFLKFDRSW-KRWDZBQOSA-N 325.412 4.386 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 345416 RREKAVMWLSIMRT-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCCC1 422351 KVCLNAAPESALBU-UHFFFAOYSA-N 344.484 4.077 0 40 EIAB C[C@H]1CC(C)(C)N(CN2C(=O)c3ccccc3C2=O)c2ccccc21 499953 MMZJUCRQDYSZSK-AWEZNQCLSA-N 334.419 4.033 0 40 EIAB COc1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1 2629005 IPGSIYPXXXZBBS-UHFFFAOYSA-N 335.856 4.147 0 40 EIAB CCSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 2736604 FQSNNYIFXRQJAT-UHFFFAOYSA-N 334.253 4.209 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC(C)(C)C)cc12 3256364 QACHEQYRSMVRSC-UHFFFAOYSA-N 331.416 4.063 0 40 EIAB CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1 4182882 RADILMMZLYFGHA-UHFFFAOYSA-N 329.812 4.009 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 4263025 GTXPSLNLMBRBMK-LBPRGKRZSA-N 330.453 4.307 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C1CCCCC1 4305113 WMQGBZKHHMUAJL-LJQANCHMSA-N 338.451 4.080 0 40 EIAB O=C(CCCCCCCCC(=O)N1CCCCC1)N1CCCCC1 4683158 UYVVDMIBPUZBLO-UHFFFAOYSA-N 336.520 4.132 0 40 EIAB O=C1C[C@@](O)(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 4799815 KAEAITWIXLBOTC-DNVJHFABSA-N 328.411 4.415 0 40 EIAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 5118482 XGJVQCBIDBGXIL-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCCOc2cccc3ccccc23)c1 5749793 YOPIXVKNQFSZBV-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 6598144 ADYNDGBDWNQGKT-FPOVZHCZSA-N 327.387 4.324 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(Cl)c1)C3 6658448 VLECAHUZXKXUSE-UHFFFAOYSA-N 341.794 4.365 0 40 EIAB Cc1ccc(NC(=S)NCc2ccc(CN3CCCC3)cc2)cc1 7009275 CNDLFFYCAUYDCK-UHFFFAOYSA-N 339.508 4.077 0 40 EIAB Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c(C)o1 7719239 UHMZUVNOHCDHEX-UHFFFAOYSA-N 341.407 4.210 0 40 EIAB COc1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 7777075 XMCIIXWIFRTITO-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)c1 7779095 IDQICFPRKRYSRP-AWEZNQCLSA-N 335.369 4.385 0 40 EIAB Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 7944280 ZCSIEANZLDYMOW-UHFFFAOYSA-N 340.423 4.272 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1ccccn1 8073111 LHKSZDXILCOKIZ-UHFFFAOYSA-N 341.414 4.020 0 40 EIAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccno1 10253982 KFYTZOXJLPFKEX-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB Cc1cc(C(=O)Nc2cccc(Cl)c2F)c2cnn(C(C)C)c2n1 10964659 GEIAVMYIYJOTDN-UHFFFAOYSA-N 346.793 4.365 0 40 EIAB OCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 12375830 OTRWYCAAVFOOAB-ZPHPHTNESA-N 330.840 4.095 0 40 EIAB O=C(CCc1cccnc1)Nc1ccc(SCc2cccnc2)cc1 12510031 BQCSDNXYPXSMNK-UHFFFAOYSA-N 349.459 4.340 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1cccc(Cl)c1 12756288 QNMXLKZTOUUSGP-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(C)c(C)c1)O[C@H](C)C2 12779979 NAGPVZRPDOJZHF-CQSZACIVSA-N 325.408 4.278 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCCC1 12782200 UZPHSYXSBWNNFX-DNVCBOLYSA-N 341.430 4.173 0 40 EIAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccoc1 12891563 VMBXPZGCMAJXRO-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB COc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)cc1OC 14014927 ZUZANXIJNKSMMH-UHFFFAOYSA-N 329.327 4.150 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 14258461 JHDDLBDRKMKNBK-DHZHZOJOSA-N 328.799 4.340 0 40 EIAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1F 15583734 XRHGJZZAPDAEHS-NSHDSACASA-N 332.806 4.407 0 40 EIAB CC(C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 15974825 ACTHPERTLCEIBT-LLVKDONJSA-N 332.256 4.325 0 40 EIAB COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1Cl 16751156 CYHMJAJZPQNTDZ-UHFFFAOYSA-N 327.714 4.202 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)CCC[C@H]1C 17070789 UFQWQGQEWQONBQ-BALXVJCKSA-N 336.520 4.126 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(Cl)ccn1 20022799 KPCSFACNLCROAB-UHFFFAOYSA-N 347.802 4.174 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 20106501 IRPIZBRJXOKCIF-QGZVFWFLSA-N 341.451 4.267 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 20111612 DGIMIZYSRAALKA-KRWDZBQOSA-N 340.467 4.243 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc2C1 20489437 FUMJPHAUWYGWMR-KRWDZBQOSA-N 329.827 4.082 0 40 EIAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Cl)c[nH]1 25194982 VLHACMCSENAUPR-SFHVURJKSA-N 339.778 4.449 0 40 EIAB Cc1cccc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)c1 28575400 GZIPUNWXLXXRAT-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB CCn1nc(C)c2c(C(=O)Nc3cc(Cl)ccc3C)cc(C)nc21 32611514 TTYBKTWOWKIYCX-UHFFFAOYSA-N 342.830 4.282 0 40 EIAB O=C1CCc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2N1 33066485 FZRPVKVGHNLCNM-UHFFFAOYSA-N 342.398 4.491 0 40 EIAB Fc1ccc(-n2c(SCc3cccnc3)nc3cccnc32)cc1 35289334 CJPNDJFLLLYPGQ-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB O=C1C[C@H](c2cccnc2)c2snc(-c3ccc(Cl)cc3)c2N1 35316454 IMXLIXHZWQJSOK-CYBMUJFWSA-N 341.823 4.333 0 40 EIAB CCN(CC)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 36644141 OIHSPSFGXXXJQL-UHFFFAOYSA-N 344.414 4.487 0 40 EIAB Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)n(C(C)C)n1 38502566 VZVSRTLRWGMHCU-UHFFFAOYSA-N 334.832 4.288 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2cnc3ccccc3n2)c1 40066725 CHDPLEXHZFDARZ-CQSZACIVSA-N 337.448 4.366 0 40 EIAB CCN(CC)CCN(CC(C)C)C(=O)Nc1ccc(Cl)cc1 40091432 XQAXVEBZRRJRCZ-UHFFFAOYSA-N 325.884 4.172 0 40 EIAB COC(=O)c1c(NC(=O)CCCc2cccs2)sc(C)c1C 40160181 YQWPIJFPGQCNTF-UHFFFAOYSA-N 337.466 4.174 0 40 EIAB CCc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1 45888596 DBUUQEHWFMOFLW-UHFFFAOYSA-N 340.452 4.013 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)CCc1c[nH]c2ccccc12 47320805 XDICAWOLFBTEJD-UHFFFAOYSA-N 346.390 4.098 0 40 EIAB C[C@@H]1CCN(C(=O)CNc2cc(F)cc(F)c2)c2ccccc2S1 58324653 XJOVFSKUAWLFTN-GFCCVEGCSA-N 348.418 4.294 0 40 EIAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc2nc(C3CC3)sc2c1 63897954 FZWKWJURVOLEPF-UHFFFAOYSA-N 344.436 4.147 0 40 EIAB CC(C)(C)n1ncc(NCc2csc3ccccc23)c(Cl)c1=O 64538074 KWLDLVMOPGUSSH-UHFFFAOYSA-N 347.871 4.479 0 40 EIAB CCOC(=O)Nc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1C 69183395 CKDKLFDABXGTQK-CQSZACIVSA-N 331.416 4.041 0 40 EIAB Cc1cc(C)cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)c1 69442530 APCWXETZSVLKAO-UHFFFAOYSA-N 346.434 4.328 0 40 EIAB CCn1cc(NC(=O)c2cc(OC(C)C)c3ccsc3c2)cn1 72241218 ARWAULWGZQWWEC-UHFFFAOYSA-N 329.425 4.157 0 40 EIAB Cc1sc(NC(=O)[C@H]2CC23CCOCC3)nc1-c1ccc(F)cc1 75093397 DTAYXJLOGCXYNI-CQSZACIVSA-N 346.427 4.013 0 40 EIAB COc1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)[nH]c1C=O 84846868 GCEFDCVHLHSYRJ-UHFFFAOYSA-N 340.379 4.241 0 40 EIAB Cc1cc(C(=O)NCc2sc(-c3cccs3)nc2C)c(C)o1 85470950 HBZYGVWEHJJRAG-UHFFFAOYSA-N 332.450 4.320 0 40 EIAB CC1(c2ccccc2)CCC(NCCCOC2CCOCC2)CC1 90083624 IBGGKTQMGFCQCS-UHFFFAOYSA-N 331.500 4.062 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 96330688 FMNPCVNWRFPDCA-MJCUULBUSA-N 328.452 4.483 0 40 EIAB biogenic,in-vitro CC[C@@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1cccs1 97033489 IBUXCUADNFSHFS-KGLIPLIRSA-N 332.473 4.086 0 40 EIAB Cc1cc(OCC(=O)NCCCc2ccc(F)cc2)cc(C)c1Cl 218922014 ZYVMMKDCPNJOMX-UHFFFAOYSA-N 349.833 4.224 0 40 EIAB CCn1c(Cl)nc2cc(C(=O)NCc3cccn3C(C)C)ccc21 222558553 RZOJNKYLCFJCLR-UHFFFAOYSA-N 344.846 4.022 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223226867 LHMOXMYAXNLBIG-IRXDYDNUSA-N 337.463 4.437 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCOc1cc(C)cc(C)c1 224092701 ZIDRIKRTTNQDJU-UHFFFAOYSA-N 349.430 4.274 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1cccc(Cl)c1 224141654 LYVBNHZOSKPTIX-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(C)cc2C)c1 225765388 KFNAHIUIWVMLKX-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CO[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2o1 245187587 ZPNVNFXZLBZNBH-INIZCTEOSA-N 347.773 4.343 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)c1cc2c(ccc3ccccc32)o1 408601608 ATWGXQSFTYCJDE-UHFFFAOYSA-N 345.354 4.245 0 40 EIAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409075833 YKFXQXFBKDXSQT-UXBLZVDNSA-N 332.208 4.058 0 40 EIAB CC[C@@H](Cc1ccccc1)N(C)c1nn2c(C)nnc2c2ccccc12 557589782 XBFNAYPFVYRXFV-KRWDZBQOSA-N 345.450 4.043 0 40 EIAB CC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1C(C)(C)C 51839 YOCUHIGZJJBCGD-QGZVFWFLSA-N 327.453 4.270 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 70029 VFLQXXOFHCXXCN-YJEJQGFLSA-N 339.822 4.132 0 40 EIAB CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@@H](C)CC4 413647 HEAIYNZMUWUHGC-VIFPVBQESA-N 332.498 4.309 0 40 EIAB O=C(O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 947598 QFDOVTPRIVENGQ-UHFFFAOYSA-N 342.358 4.134 0 40 EIAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 1934130 UQZSPTBYDAWRCE-UHFFFAOYSA-N 339.435 4.342 0 40 EIAB CC[C@@]1(C)C[C@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 2109996 BEJITXVNDNZAGW-LEWJYISDSA-N 343.467 4.294 0 40 EIAB biogenic Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2N)cc1C 2349115 WDRNGBFBNTUZNX-UHFFFAOYSA-N 344.871 4.221 0 40 EIAB COc1ccccc1CNc1nc(-c2ccc3c(c2)OCO3)cs1 3362944 DZPHSXIQGVSYSS-UHFFFAOYSA-N 340.404 4.160 0 40 EIAB Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1F 3429476 NGWQYCAOKPGVNO-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB Cc1ccc([C@H]2CC(=O)n3nc(-c4cccc(C)c4)nc3S2)cc1 4268632 VCHNLUMSSDGSGA-MRXNPFEDSA-N 335.432 4.439 0 40 EIAB CCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccnc2)s1 4881754 LYJVRVMXIUMISV-UHFFFAOYSA-N 344.484 4.314 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 6204260 RZYPSKSIZORLBU-UHFFFAOYSA-N 347.361 4.103 0 40 EIAB COc1ccc(CN(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 6638960 TVNNMWIERILXEJ-UHFFFAOYSA-N 340.467 4.063 0 40 EIAB CCOc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1 6752036 DYOQQDQPTKGIIL-UHFFFAOYSA-N 339.786 4.073 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1cc(Cl)c2c(c1)OCCCO2 6789435 ZVUUPUYVVJRRIV-UHFFFAOYSA-N 343.810 4.242 0 40 EIAB C[C@H]1CCCCN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7285545 QRYXPSYULRPVIF-ZDUSSCGKSA-N 339.464 4.026 0 40 EIAB COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)c1 7603060 XKJXSTSWRITCJS-YBEGLDIGSA-N 341.388 4.363 0 40 EIAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccn3)cc12 9322907 IUZADQBGSCDVJL-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CSc2ccc(C)cc2)c1 10444095 VYUMINZNPDNPIU-UHFFFAOYSA-N 343.448 4.211 0 40 EIAB CCn1c(NC(=O)CCc2c[nH]c3ccccc23)nc2ccccc21 10651372 DRQHQAPESHVEBA-UHFFFAOYSA-N 332.407 4.109 0 40 EIAB CSc1ccccc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 11693145 DTCWSFPOLPJRBF-UHFFFAOYSA-N 342.395 4.384 0 40 EIAB C[C@H](c1ccccc1)N1CNC(=S)N(c2ccc(Cl)cc2)C1 12401909 NYJNMNQYERWFNZ-CYBMUJFWSA-N 331.872 4.013 0 40 EIAB CSc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 12536245 RTXCQJJKUDONHJ-UHFFFAOYSA-N 347.383 4.228 0 40 EIAB C[C@@H](NC(=S)Nc1ccc(SC(F)F)cc1)c1ccncc1 12550749 PJGIVMKIIUCEAJ-SNVBAGLBSA-N 339.436 4.444 0 40 EIAB COC(=O)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1 12616806 YPESNMXHVYERLG-UHFFFAOYSA-N 328.371 4.455 0 40 EIAB O=c1ccc2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2o1 13004948 QGDGLGPQIPXGTH-UHFFFAOYSA-N 336.265 4.271 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccccc1 13931556 JYXFOXZSKZZCMB-OAHLLOKOSA-N 330.453 4.142 0 40 EIAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 13946379 BESCLYAWQYRPRZ-UHFFFAOYSA-N 325.518 4.287 0 40 EIAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1C 14171758 BYOCQVXISVXJBI-UHFFFAOYSA-N 329.827 4.236 0 40 EIAB CCCOc1ccc(C(=O)NCc2ccccc2)cc1OCCC 14201509 NXHDPLZHCFADOO-UHFFFAOYSA-N 327.424 4.194 0 40 EIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1 14258114 KSYSADKKTIGHIO-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCC2CCCCC2)c1 15911427 KNUCQXDOZLDUQA-UHFFFAOYSA-N 343.876 4.043 0 40 EIAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 17288886 NCCLMZSPWDCHMK-UHFFFAOYSA-N 336.435 4.145 0 40 EIAB COc1cccc(CN2Cc3cc4cc(C)cc(C)c4nc3OC2=O)c1 19568341 GCUPGNAOSHBMTJ-UHFFFAOYSA-N 348.402 4.375 0 40 EIAB CCCN1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 19738932 FUIRDVYOWRVHPW-KRWDZBQOSA-N 327.472 4.311 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccco1 20034746 OJZRMWITNQECBS-SFHVURJKSA-N 347.480 4.103 0 40 EIAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC 20538378 ZPZQXZSKNAXCLI-NSHDSACASA-N 334.803 4.240 0 40 EIAB O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc(F)cc2)n1 20720369 ORKNMKHBDJYICG-UHFFFAOYSA-N 339.347 4.428 0 40 EIAB CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27582797 FUHNXFAVYLKWQY-SFHVURJKSA-N 336.907 4.419 0 40 EIAB COc1ccc(-c2nnc([C@H](C)Sc3nccn3C3CC3)o2)cc1 29625682 NZWBOABSWMXAMP-NSHDSACASA-N 342.424 4.130 0 40 EIAB COc1ccc(CN[C@@H](C)c2ccccc2Br)cc1O 34992202 BHYTXCUGIYWDOX-NSHDSACASA-N 336.229 4.014 0 40 EIAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC(C)C 36638900 YIMQHVVPCJQWHY-UHFFFAOYSA-N 341.517 4.232 0 40 EIAB CCc1nc(NC(=O)c2ccc(Br)cc2)sc1C 40118961 ZPPGNBVEBSQMPI-UHFFFAOYSA-N 325.231 4.029 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NO[C@H](c2ccccc2)C1 40155424 SSUNBTINVDBDDU-ACJLOTCBSA-N 342.826 4.377 0 40 EIAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2nc(-c3ccccc3)c(C)c2n1 40216648 KDGWSTQSEJCRHX-GJZGRUSLSA-N 334.467 4.495 0 40 EIAB CCN(C(=O)c1ccc2c(c1)nnn2CC)c1cccc2ccccc12 46301900 IBQLJLULUWTYSH-UHFFFAOYSA-N 344.418 4.271 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2cnc(-c3ccccc3)s2)on1 48354920 JFCWBJYDKCINKS-AWEZNQCLSA-N 339.420 4.084 0 40 EIAB Cc1cc([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)on1 52009112 ZUDBLJSQNKXAQW-MRXNPFEDSA-N 327.359 4.114 0 40 EIAB CCN(CC)C(=O)c1c(OC)cc2ccccc2c1Br 59843563 VDXKNYIKRWPHPI-UHFFFAOYSA-N 336.229 4.093 0 40 EIAB O=C(NCCC1CCCCC1)C(=O)Nc1cccc(Cl)c1Cl 62204674 XRMFVVDUEKUSLP-UHFFFAOYSA-N 343.254 4.019 0 40 EIAB CC(=O)Nc1ccc(O)c(C(=O)O[C@@H](C)c2cccc3ccccc23)c1 64119828 DUNHYSGOXJZVCE-ZDUSSCGKSA-N 349.386 4.422 0 40 EIAB CC(C)c1nnc(NC(=O)c2sccc2SC(F)F)s1 69780064 HBORXFNYZNTULO-UHFFFAOYSA-N 335.426 4.290 0 40 EIAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C 72214933 WRXVFDZRHWSHEO-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB c1ccc([C@@H](NCc2cccnc2)c2ccc3c(c2)CCCO3)cc1 78656951 SZWVUYPUUQNMIO-JOCHJYFZSA-N 330.431 4.286 0 40 EIAB COc1ccccc1Oc1ccc(NC(=O)c2ocnc2C)cc1F 81588992 TYEJLWWMJLZWJE-UHFFFAOYSA-N 342.326 4.175 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@@H](O)c1ccccc1 85436451 RMDQNHRKBIVQKX-JOCHJYFZSA-N 345.442 4.136 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(N(C)C)nc2ccccc12 95468982 JWXDEGKHLVHDNH-HNNXBMFYSA-N 333.435 4.134 0 40 EIAB CCc1ccsc1CN[C@H](C)c1cccc(N2CCOC2=O)c1 95969174 TVTOAWNJMJTCBP-CYBMUJFWSA-N 330.453 4.118 0 40 EIAB CSc1nnc(C)c(/C=C/Nc2ccc(C(F)(F)F)cc2)n1 100323032 KDQUHFLMBTUMOX-BQYQJAHWSA-N 326.347 4.004 0 40 EIAB C[C@@]12CC3CC(C(=O)Nc4ccc5c(c4)OCO5)(C1)C[C@@](C)(C3)C2 102131755 GWYSHSDODZSNIY-LEVRYPNCSA-N 327.424 4.350 0 40 EIAB CC1(C)CC2=Nc3nonc3N[C@H](c3cccc(F)c3)C2=C(O)C1 102738237 YEEHQSQTNNNUQT-CQSZACIVSA-N 328.347 4.080 0 40 EIAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccco1 102755331 JNIWQOWJKOZQPN-KRWDZBQOSA-N 329.396 4.287 0 40 EIAB CCC[C@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1ccc(C)cc1C 108144693 AYUFHFUHWHRCBY-YLJYHZDGSA-N 339.483 4.499 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccco1 216276413 WYYUYHQNPUJLCH-QGZVFWFLSA-N 347.480 4.103 0 40 EIAB O=C(Cc1cccc(Cl)c1)NCCOc1cccc2ccccc12 223572935 NVROYEYNNFJCHV-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)CSCc2ccccc2C)c1 223978503 YNFGIWSMCSTFQY-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224165434 DROPAUGFKCFMHP-UHFFFAOYSA-N 341.451 4.321 0 40 EIAB CCOc1ccc(CCCNC(=S)Nc2cccc(OC)c2)cc1 225621621 QLJDJVTWAYQOSQ-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225838301 KEMZCBYTQTYWCS-OAHLLOKOSA-N 333.350 4.248 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2(CC)CCCC2)c1C 225863843 FGVSWXSNUCFHLJ-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CSc1ccc(F)cc1 239578999 DDFSNWHMVQWXHZ-CYBMUJFWSA-N 343.423 4.411 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2cccc(OC3CCCC3)c2)O[C@@H]2CCC[C@@H]12 257221636 DPXWGCNOUXPJMG-DOIPELPJSA-N 343.467 4.143 0 40 EIAB c1ccc(Cc2nnc(Sc3ccccn3)n2-c2ccccc2)cc1 409103890 ZNHRFBPKNUBPJV-UHFFFAOYSA-N 344.443 4.404 0 40 EIAB Cc1n[nH]cc1CNC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C 504533827 SIMOROKKGBYLFJ-LJQANCHMSA-N 342.487 4.113 0 40 EIAB CC1(C)C[C@H]1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889702862 KHIWAVBWRHVJCK-HNNXBMFYSA-N 343.858 4.035 0 40 EIAB c1ccc(Nc2nc([C@@H]3CCCN3Cc3cncs3)cs2)nc1 2037846340 OLOXXCUBBRVUIZ-AWEZNQCLSA-N 343.481 4.075 0 40 EIAB O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 39398 KOVVUCAOAQGMSK-UHFFFAOYSA-N 334.444 4.304 0 40 EIAB CC[C@@H]1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1Cl 67539 MILOBUVTNWAYKD-LLVKDONJSA-N 345.295 4.273 0 40 EIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 265000 CNSCXCLIQHRYPM-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1 348598 GTVLSULMGPJBBX-UHFFFAOYSA-N 326.373 4.297 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c(C)c1 364852 HVXIQOLGYJSEDE-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 579756 FUYNZYAGQWDIAM-JTQLQIEISA-N 340.206 4.408 0 40 EIAB CC(C)c1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427560 NXZGNJOPTAPING-MRXNPFEDSA-N 334.371 4.357 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 3417575 IEYAPFNIDXNXSB-NSHDSACASA-N 338.234 4.422 0 40 EIAB COc1ccc(/C=C/c2nn3c(-c4cccc(C)c4)nnc3s2)cc1 4667819 HUCURLXTDYTWRO-DHZHZOJOSA-N 348.431 4.340 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3ccccc3C)cc2c1 5048482 DEHXPVJOVKUVCN-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB Cc1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1 5127154 APCDGRKDFPMDGG-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1cccc(O)c1 5376205 AEOBMDJQKHJVNO-ZSOIEALJSA-N 331.780 4.287 0 40 EIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5529627 FRQMUZJSZHZSGN-OOXWQIJHSA-N 344.495 4.084 0 40 EIAB Cc1c(-c2ccccc2)n(O)c(-c2ccc(C(F)(F)F)cc2)[n+]1[O-] 5533113 LRNGSOTVOZUSAI-UHFFFAOYSA-N 334.297 4.020 0 40 EIAB CCOC(=O)[C@@]1(C)C(=O)C[C@@H](c2ccccc2)C[C@H]1c1ccccc1 5707122 DFOTVZLOJCXIMY-CNNODRBYSA-N 336.431 4.486 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 5935190 FFGMFWMENUQXJO-ZDUSSCGKSA-N 332.831 4.120 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2C)n1 6810452 LFSJKQGGLIAGNR-UHFFFAOYSA-N 342.251 4.456 0 40 EIAB CCNc1c(NC(=O)c2ccc(Cl)cc2)c(=O)oc2ccccc12 6823193 OUXMLRVDNUXQGU-UHFFFAOYSA-N 342.782 4.131 0 40 EIAB Cc1cc(C(=O)NCCCSc2ccccc2)c2ccccc2n1 7652467 OGQYPIJYESTIMF-UHFFFAOYSA-N 336.460 4.455 0 40 EIAB Cc1cc(O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 8844007 VIIFUCABUBHGHQ-UHFFFAOYSA-N 327.693 4.083 0 40 EIAB CCCCOc1ccc(C(=O)N[C@@H](C)CC)cc1Br 10120510 WDSJGOTTYWTXCR-NSHDSACASA-N 328.250 4.156 0 40 EIAB Cc1ccc(CCC(=O)NCCSCc2ccccc2C)cc1 10331759 MRCDGTJQSDMRJC-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)OCCO2 10448729 JKIUSHKBJFOGEC-XOVSCCBYSA-N 343.810 4.002 0 40 EIAB O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1C(F)(F)F 10808758 AOICVYVYWCIZQU-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB CC(C)Cc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 11278544 JJYVTPNHSUHDFR-UHFFFAOYSA-N 327.240 4.358 0 40 EIAB Cn1cc([C@@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cn1 12119498 BMOLSLDXAHOSRN-ILCGBQQYSA-N 341.499 4.080 0 40 EIAB COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c12 12397203 NYFIOCCWATXFAS-UHFFFAOYSA-N 348.333 4.483 0 40 EIAB C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 12539778 SONKNKOYRGOMGH-ZETCQYMHSA-N 340.235 4.422 0 40 EIAB CCCOc1c(OCC)cccc1[C@H]1NC(=O)c2cccc(C)c2N1 12727838 NXKULDMSJRPHLM-LJQANCHMSA-N 340.423 4.037 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)c(F)c1 12792649 YBLXLMMZTHUXPC-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB C[C@H](NC(=O)COc1ccc(F)c(F)c1)c1ccc2ccccc2c1 12792777 HSNXWUNIWRUQNJ-ZDUSSCGKSA-N 341.357 4.374 0 40 EIAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCCC1 12797952 PHNNWFWZZCTDHF-UHFFFAOYSA-N 338.238 4.367 0 40 EIAB COc1ccc(-c2csc(NC(=O)CC3CCCC3)n2)c(OC)c1 12812468 AAWNGNYZNVPLCA-UHFFFAOYSA-N 346.452 4.346 0 40 EIAB Cc1nc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cs1 12993591 XGMRWCKRNUCCMG-UHFFFAOYSA-N 325.418 4.084 0 40 EIAB COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O 13378713 PKAIECBWQZFYRP-ILUDWHBUSA-N 330.424 4.172 0 40 EIAB biogenic,in-vitro CCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 13679419 QBZLJGDQQPMLCQ-UHFFFAOYSA-N 338.451 4.015 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709532 ZUJPBQWDVXWRLC-MRXNPFEDSA-N 349.430 4.274 0 40 EIAB Cc1ccc(C(=O)N(C)c2ccccc2)cc1NC(=O)c1ccco1 14111803 LZPJGPLZRHYJOA-UHFFFAOYSA-N 334.375 4.117 0 40 EIAB COc1cc(NC(=S)Nc2cc(C)ccc2C)cc(OC)c1OC 17072117 FLSDPBHZHNDGBD-UHFFFAOYSA-N 346.452 4.138 0 40 EIAB Cc1ccccc1CN1CCC[C@H]1c1n[nH]cc1-c1onc(C)c1C 19237194 KVMULXMXHOEGQQ-SFHVURJKSA-N 336.439 4.327 0 40 EIAB Fc1cccc(Cl)c1CN1CCC(c2n[nH]c3ncccc23)CC1 19292578 FUOOXSDPPROFCL-UHFFFAOYSA-N 344.821 4.130 0 40 EIAB CCOc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1 19927687 RVONJWMWYKKOCM-NHYWBVRUSA-N 334.466 4.017 0 40 EIAB Cc1noc(-c2ccc(C(=O)OCc3cccc(Cl)c3)cc2)n1 22829568 NHMDHVUDVVFNRP-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB O=C(Nc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1)c1cccs1 24006047 IMGGRVCPDKHYND-CYBMUJFWSA-N 327.405 4.262 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccc(OC[C@H]2CCCO2)cc1 25156201 GGXOCHXKIGOAMF-LJQANCHMSA-N 348.402 4.045 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(-n2cccn2)cc1 27917795 SLSHFSJYQMNMOR-UHFFFAOYSA-N 342.786 4.178 0 40 EIAB CCCCCNC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 32802755 VHGPSNBEYGIXGZ-IBGZPJMESA-N 336.439 4.142 0 40 EIAB Cc1c(C(=O)Nc2cccc(C(=O)N(C)C)c2)sc2ccccc12 32901104 YHGBVJVPOJHAJO-UHFFFAOYSA-N 338.432 4.164 0 40 EIAB COc1cc(C)c([C@H](C)NC(=O)Nc2cccc(C)c2)cc1OC 40095252 DLAMEXCGNZNFSU-AWEZNQCLSA-N 328.412 4.203 0 40 EIAB CC(C)[C@@H](NCc1csc(-c2ncccn2)n1)c1ccc(F)cc1 48684761 ISWMRFCVWHYCRM-MRXNPFEDSA-N 342.443 4.226 0 40 EIAB C[C@@H]1CCN(C(=O)CSc2ccc(O)cc2)c2ccccc2S1 69268677 VCBYFPATSMDXLO-CYBMUJFWSA-N 345.489 4.402 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1 69526194 WRMLXTBADOXRFB-UHFFFAOYSA-N 348.402 4.079 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1 69738981 DGARJUGWZITOSO-GFCCVEGCSA-N 340.379 4.132 0 40 EIAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C(C)C)cc1 72228960 JDYSDCIHEIPKHT-UHFFFAOYSA-N 334.423 4.260 0 40 EIAB CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1cc2ccccc2o1 75122481 ZOHCCSFKNWSPHQ-AWEZNQCLSA-N 338.407 4.043 0 40 EIAB C[S@@](=O)c1ccc(NCc2cc(Cl)cc3cccnc23)cc1 95428775 OIAQPZMTQDSWAP-QFIPXVFZSA-N 330.840 4.238 0 40 EIAB C[C@H](NCc1ccc(Cl)nc1)c1cc(Cl)c(N)c(Cl)c1 95444360 HZENIOSRJROZGB-QMMMGPOBSA-N 330.646 4.475 0 40 EIAB Cc1[nH]c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)cc2c1C 96116426 BGIKOEOBWNECNM-UHFFFAOYSA-N 343.430 4.465 0 40 EIAB biogenic CCc1cccc(CC)c1NS(=O)(=O)c1c(C)cc(OC)cc1C 96659365 RCBHUJJSWTXRJR-UHFFFAOYSA-N 347.480 4.238 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O 100574708 WXQSSBHWKHCUSN-BFUOFWGJSA-N 340.448 4.126 0 40 EIAB C[C@@]12C[C@H](NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2 101174134 FOQKVBWGKLXQOR-QFBILLFUSA-N 342.826 4.148 0 40 EIAB O[C@@H](c1ccccc1)c1nccn1Cc1ccccc1C(F)(F)F 133689462 DUPHJYGXSGCAOA-INIZCTEOSA-N 332.325 4.032 0 40 EIAB O=C(/C=C/c1cccs1)NCc1cncc(-c2ccsc2)c1 206942806 JVBYUHIEILBFCE-ONEGZZNKSA-N 326.446 4.201 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)c1 225533042 TZSMZCGCRKBTOM-GOSISDBHSA-N 337.463 4.229 0 40 EIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225893535 HYJVSKDSBAIKMR-IBGZPJMESA-N 330.428 4.166 0 40 EIAB CCOc1ccc(-c2ccc(OC(=O)c3cccc(C)c3)nn2)cc1 408532391 XMJYSTZZPYHDNN-UHFFFAOYSA-N 334.375 4.070 0 40 EIAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)/C=C/C(=O)O 408735548 SEFNRVNMNYFAGB-DGXIYAMASA-N 349.430 4.149 0 40 EIAB FC(F)(F)c1cccc([C@]2(F)CCN(C[C@H]3CCSC3)C2)c1 549824183 JXGIEHLCZJXPFA-DOMZBBRYSA-N 333.394 4.329 0 40 EIAB O=C([C@H]1CCOc2ccc(Cl)cc21)N1Cc2cccc(Cl)c2C1 585083464 UOPDLDJQZSBMIS-ZDUSSCGKSA-N 348.229 4.402 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 52227 RIMNDTGUJCYMES-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1F 74894 FUUQSKRKBARDAL-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB CCc1nc2ccccc2c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)c1C 104396 NHHBLYXTJNNTMJ-HUUCEWRRSA-N 339.483 4.022 0 40 EIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O 183477 JKMUFUCTAIMTBL-FQEVSTJZSA-N 346.386 4.172 0 40 EIAB Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)O)c23)cc1 1935777 PJAKGZYJOFIOMB-JTQLQIEISA-N 330.434 4.232 0 40 EIAB COc1ccc2c(CC(=O)Nc3ccc(OC)c(Cl)c3)coc2c1 2619364 RWNWICQLZRZFTE-UHFFFAOYSA-N 345.782 4.285 0 40 EIAB COc1cc(OC)cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 3398805 FYLSUTZJTOCDFY-UHFFFAOYSA-N 327.424 4.099 0 40 EIAB NC(=O)c1oc2ccccc2c1NC(=O)c1cc(Cl)ccc1Cl 4135080 OHSLHQIEWSDHGG-UHFFFAOYSA-N 349.173 4.091 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)/C=C/c3ccccc3)cs2)cc1 4570785 NEUDVEATIAYTGE-FMIVXFBMSA-N 348.471 4.491 0 40 EIAB C[C@H](OC(=O)c1c[nH]c2ccccc12)c1nnc(-c2ccccc2)o1 5349827 WRJYSILRXLVTPP-LBPRGKRZSA-N 333.347 4.136 0 40 EIAB CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(C)cc1 5643140 UEZUJIKAUISELV-LRDDRELGSA-N 345.468 4.033 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2ncccc12 6232754 GZBMLYZJRDEMPK-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nncs1 6254437 ZJXGGSDVPOWFIL-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1 6362082 COUWBUANKXTOJE-UHFFFAOYSA-N 333.453 4.011 0 40 EIAB Cc1cc(C)nc(SCC[S@](=O)c2ccc(C(C)(C)C)cc2)n1 6660774 BTMXEAAEGBJKFH-HSZRJFAPSA-N 348.537 4.291 0 40 EIAB COc1ccc(CN(C(=O)Cn2c(C)cc3ccccc32)C2CC2)cc1 7116264 IYOQQBQWFSBYJC-UHFFFAOYSA-N 348.446 4.150 0 40 EIAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccc(F)cc3)o2)cc1 7541086 DXKSNQHSLNEPAP-AWEZNQCLSA-N 325.383 4.429 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 7945331 DWWIICNODLYUMP-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1 8049019 CEYCSNHQLPPLLK-KRWDZBQOSA-N 347.455 4.033 0 40 EIAB CCCc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 8095194 RWOZTSSGQPNQOP-ZDUSSCGKSA-N 344.842 4.050 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCSc2ccccc2)c1 8355212 BPQANAWKNPKPFH-CQSZACIVSA-N 345.464 4.063 0 40 EIAB CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3ccccc3)sc2C1 8586835 GZJKKXLOKVVEOI-AWEZNQCLSA-N 328.481 4.475 0 40 EIAB CC[C@H]1CCCCN1Cc1c(C)nc2ccc(N(C)C)cc2c1O 8717521 UVXOXEXXADIFKD-HNNXBMFYSA-N 327.472 4.079 0 40 EIAB C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nccnc3c1)C2 10129048 WEWURNNVXLJERZ-IHRRRGAJSA-N 341.480 4.050 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccncc1 12557636 DYTIWCXKBIZKHC-MRXNPFEDSA-N 348.402 4.130 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 12769183 ASUALTOORFMYAL-NEPJUHHUSA-N 335.753 4.200 0 40 EIAB COc1ccc(C)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C 12795935 HDHOSPXIBULNTJ-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CCSc2ccc(F)cc21 12852683 ATHUBQABQBPOTJ-CYBMUJFWSA-N 338.354 4.463 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1OC 13931236 VWFVCZYTMLFJAX-AWEZNQCLSA-N 344.480 4.368 0 40 EIAB O=C(/C=C/c1cccs1)N1CCC(c2nc3ccccc3o2)CC1 14196955 BZSRRCVUHCCOOJ-BQYQJAHWSA-N 338.432 4.309 0 40 EIAB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 17071213 UWAAAUZTMKPFFH-JTQLQIEISA-N 340.370 4.407 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1ccco1 20112043 XRWCPOBBSRSYRR-OAHLLOKOSA-N 347.480 4.220 0 40 EIAB COc1cc(C)c2c(c1)CCC/C2=C\CC1(C)C(=O)CCCC1=O 30835623 NODQMQNJKVUQGX-XNTDXEJSSA-N 326.436 4.442 0 40 EIAB COC(=O)c1cc(Nc2cc(Cl)ccc2OC)c2ccccc2n1 38486581 IKXIACYRIURRNE-UHFFFAOYSA-N 342.782 4.427 0 40 EIAB CC[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(Br)cc1 48558907 HRTRLTBSYYGVLJ-JTQLQIEISA-N 341.640 4.038 0 40 EIAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(-c2ccccc2)cc1 58014502 GTJZDDBMBVDRLI-UHFFFAOYSA-N 334.423 4.139 0 40 EIAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C)CC3)c12 62927953 KYKRBHSEPINKHY-CYBMUJFWSA-N 341.455 4.315 0 40 EIAB CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H](C)c1c(C)nn(C)c1C 71844135 UGSCCGRNAJAYCY-KDOFPFPSSA-N 327.472 4.140 0 40 EIAB CC(C)(NC(=O)CCc1ccccc1)c1nc(C(F)(F)F)cs1 72305431 YBVWLCNSRFXHMA-UHFFFAOYSA-N 342.386 4.146 0 40 EIAB O=C(NCCCSc1ccccc1)c1ccccc1-c1cncnc1 78062332 ZVMYVKJNZNBQSY-UHFFFAOYSA-N 349.459 4.056 0 40 EIAB O=C(COC1CCCCC1)Nc1cccc2oc(C(F)(F)F)nc12 89774329 CVSIFVZZNFRGPR-UHFFFAOYSA-N 342.317 4.134 0 40 EIAB Cc1c(C(=O)N(C)c2cccc3ccccc23)cnn1-c1ccncc1 90397129 PEFCIZYPUOEOOX-UHFFFAOYSA-N 342.402 4.006 0 40 EIAB COc1cc(CNc2ccc(C)c(C(=O)N(C)C)c2)ccc1SC 95429326 LYVKENCVCYATOU-UHFFFAOYSA-N 344.480 4.039 0 40 EIAB CCCCc1nc(C)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 95472912 IRYLDHIREBYPEV-QGZVFWFLSA-N 344.480 4.008 0 40 EIAB Cc1ccncc1Nc1nc(-c2ccc3nsnc3c2)cs1 96124469 AEEMKDZUCOIMKP-UHFFFAOYSA-N 325.422 4.262 0 40 EIAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)C)cc34)co2)cc1 96154312 DOQMHESXOIYGQW-UHFFFAOYSA-N 347.374 4.160 0 40 EIAB COCc1cccc(NC(=O)N(Cc2ccccc2)CC(F)F)c1 96461478 SLBJOKGOUYGFQT-UHFFFAOYSA-N 334.366 4.132 0 40 EIAB Cc1ccc(C)c(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c1 101014446 TXHJJACKDWVLKK-MRXNPFEDSA-N 344.252 4.369 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc2ccccc2c1 222782474 QTWKXXKXDWLTOY-NRFANRHFSA-N 349.430 4.322 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(F)cc1 223146633 PBOQIWPCWPKCFD-HUUCEWRRSA-N 341.426 4.349 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)SCc2ccccc2)c1 224055063 CIBXVJCRIGWTKM-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(C)c3)o2)c1 224844139 UFMKUAATYADYGJ-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCOCc1ccccc1 224942113 VJUOBTPHGIPPNE-SFHVURJKSA-N 347.458 4.351 0 40 EIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 225263895 BBJZDODZDOSVCM-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB CC(C)C(NC(=S)Nc1cccc(Br)c1)C(C)C 225326003 GVLWMBMNIKINTC-UHFFFAOYSA-N 329.307 4.416 0 40 EIAB O=C(NCCSCc1ccccc1Cl)NC1CCCCC1 225754350 KZZUQPCQUOTAQI-UHFFFAOYSA-N 326.893 4.205 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c(C)n1 225889517 AIBPDGQXBVCZMM-IFXJQAMLSA-N 334.460 4.103 0 40 EIAB CCCc1c(NC(=O)N2CCC=C(C)C2)cnn1-c1cccc(C)c1 333331781 YUGMHXYRCZKJBY-UHFFFAOYSA-N 338.455 4.317 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccsc1)c1cccs1 390826276 GVFHNSUGXUPQFV-QGZVFWFLSA-N 346.477 4.253 0 40 EIAB CC(C)(C)OC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 498051272 FRSZKQRYCQUFHM-CYBMUJFWSA-N 331.334 4.014 0 40 EIAB CCc1ccc([C@@H](CN[C@@H](C)c2cncnc2C)N(CC)CC)cc1 578247245 PHWSUKXVKIEQJO-HRAATJIYSA-N 340.515 4.081 0 40 EIAB Oc1ncc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c2ccccc12 1657765902 AZJIKHBQOUKANZ-RTWAWAEBSA-N 348.446 4.029 0 40 EIAB CCOc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 57812 YMSWWWYWXZINGY-UHFFFAOYSA-N 340.375 4.184 0 40 EIAB biogenic C[C@@H]1Cc2cc(/C=C3\N=C(c4ccccc4Cl)OC3=O)ccc2O1 99372 CUZIQNWIIUGDED-FFCYNSPCSA-N 339.778 4.008 0 40 EIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(Cl)cc1Cl 159957 PKBCUMFLSXWAOE-GQCTYLIASA-N 344.629 4.341 0 40 EIAB O=C1c2ccccc2CC[C@]12O[C@H]2c1ccc(Br)cc1 163830 KCIJKKMJZDOIQE-IRXDYDNUSA-N 329.193 4.088 0 40 EIAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1 535395 ZCKPCUSJVONTKN-UHFFFAOYSA-N 342.782 4.169 0 40 EIAB CC(C)=C[C@@H]1[C@@H](COC(=O)c2cc3c(cc2Cl)OCO3)C1(C)C 1663770 AXLBVVLIPLJARG-CHWSQXEVSA-N 336.815 4.464 0 40 EIAB in-vitro COc1ccc([C@H](O)c2ccccc2C(=O)Nc2ccccc2)cc1 1872848 UGCJGNVJUUOGLB-FQEVSTJZSA-N 333.387 4.029 0 40 EIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)cc1)C3 2115734 DLJCLVIKDFCHTC-UHFFFAOYSA-N 335.403 4.410 0 40 EIAB biogenic C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCCC1 3215696 WMBXQZYSDAJXAQ-CXAGYDPISA-N 348.899 4.357 0 40 EIAB O=C(/C=C/c1ccco1)NCCOc1ccccc1-c1ccccc1 3671878 BSILTQWGAQBSDQ-OUKQBFOZSA-N 333.387 4.155 0 40 EIAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc2ccccc2o1 4086526 DFTJBFCOJRGGDH-UHFFFAOYSA-N 349.386 4.119 0 40 EIAB biogenic Cc1ccc(Nc2nn3c(=O)c4ccccc4nc3s2)cc1Cl 4315967 XWUSYXKRSVGXAX-UHFFFAOYSA-N 342.811 4.010 0 40 EIAB CCC(CC)C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 4585504 YAMZAGODCDCKSG-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB Clc1ccc(CNCCCSc2ncccn2)cc1Cl 4984161 AETUXVFOXRQRLE-UHFFFAOYSA-N 328.268 4.055 0 40 EIAB COc1ccc(-c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)nn1 5259477 LBCLWFBLRCWZNT-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccccc1Cl 5441599 OCDWZUJXTRBQPQ-UHFFFAOYSA-N 328.799 4.109 0 40 EIAB O=C(c1ccc(Cl)cc1)c1conc1C(=O)c1ccc(Cl)cc1 5894525 OUPBHLVXISGYCB-UHFFFAOYSA-N 346.169 4.443 0 40 EIAB CCN1C(=O)/C(=C\c2ccsc2)S/C1=N/c1ccc(OC)cc1 6954475 LSDVCEFVJHXLSU-JQJQOIMSSA-N 344.461 4.381 0 40 EIAB Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093811 REJJUYOOMAOGEZ-CYBMUJFWSA-N 326.421 4.218 0 40 EIAB Cc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 8232017 DZHMGVIBSZLBTP-OAHLLOKOSA-N 325.437 4.444 0 40 EIAB c1cncc(-c2nnc(-c3cc4c(s3)-c3ccccc3OC4)o2)c1 9051872 HDFDUQUYXPZMJH-UHFFFAOYSA-N 333.372 4.420 0 40 EIAB COc1ccc(Cl)cc1CSCC(=O)NC1CCCCC1 9938465 NUFPBJMOTVDOLF-UHFFFAOYSA-N 327.877 4.031 0 40 EIAB C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 9978061 JCNPMHRYUZENKF-RDJZCZTQSA-N 348.450 4.213 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275679 NTODGAWSKUAKGS-OAHLLOKOSA-N 331.481 4.332 0 40 EIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1cccc(F)c1 10512194 SIJVZITYGFADCS-UHFFFAOYSA-N 333.409 4.355 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)CC1(C(=O)O)CCCC1 12756592 DNIKDGOLIXFYRS-UHFFFAOYSA-N 337.847 4.438 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccs2)cc1 12812861 MVMMMMACRCLBGB-UHFFFAOYSA-N 332.425 4.025 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2cc3ccccc3cc2C(=O)O)c1 13080360 WAVLWMGOCZQUSL-UHFFFAOYSA-N 349.386 4.172 0 40 EIAB COC(=O)c1ccc(COC(=O)c2occc2-c2ccccc2)cc1 16537276 KVPFMJLNYKHPML-UHFFFAOYSA-N 336.343 4.090 0 40 EIAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC2)cc1 17356472 IOKUEKKWSIOUAZ-UHFFFAOYSA-N 348.446 4.399 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1c(F)cccc1F 20430231 NINKXPWNIYHCJI-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(OC)cc1 20458166 HJOACNXBYTVVCL-LJQANCHMSA-N 327.424 4.364 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCSc1ccccc1 20489537 YMBDDLXEWGJHLA-KRWDZBQOSA-N 329.465 4.061 0 40 EIAB Cc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)n1 20717036 OATOSLLWHCAVTM-UHFFFAOYSA-N 337.326 4.271 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 23109704 DJCOJLNEJGREQI-NRFANRHFSA-N 337.419 4.094 0 40 EIAB C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1ccc(Cl)s1 28410600 SYMNZGFDTCAHDB-PWSUYJOCSA-N 336.844 4.286 0 40 EIAB Cc1cc(C)n(CC(=O)Nc2cccc(C3SCCCS3)c2)n1 31579272 OYKXOJBASZRPOM-UHFFFAOYSA-N 347.509 4.007 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccc(F)cc1 38756271 XLGOKMBWJKZAPB-SFHVURJKSA-N 329.415 4.041 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 44841509 GJFLRQJGCDGVTJ-JXFKEZNVSA-N 341.451 4.429 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(C)cc2)cc1 44901358 QZRFWOXREBUSES-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB COC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 47373922 WGGVYWCOCCIACQ-UHFFFAOYSA-N 340.404 4.010 0 40 EIAB O=C(c1cccc2cccnc12)N1CCC(OCc2ccccc2)CC1 53777895 CHUCDEWMBOUKPT-UHFFFAOYSA-N 346.430 4.056 0 40 EIAB CC1CCN([C@@H](C)CNC(=O)Nc2cc(Cl)ccc2Cl)CC1 58308551 MHJZCNUPIHRGBR-LBPRGKRZSA-N 344.286 4.235 0 40 EIAB CCOc1ccc([C@H]2CCCN2Cc2cccc3c2OCCO3)cc1 64431521 QQABAJFOSYLZCJ-LJQANCHMSA-N 339.435 4.194 0 40 EIAB CC(C)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 67319238 LGNVQSJCRHBUSR-SFHVURJKSA-N 331.843 4.102 0 40 EIAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)cc1 96287842 ZHROHXUSNRXPSJ-ZTFGCOKTSA-N 339.822 4.413 0 40 EIAB C[C@@H](O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509795 RPWBXLIQMBJCGA-SECBINFHSA-N 340.217 4.240 0 40 EIAB Cc1nscc1C(=O)NC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 97238598 BKLLAJWFROGAAZ-MPLXBHQASA-N 344.402 4.083 0 40 EIAB CC[C@@H](C(=O)N1[C@@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1ccccc1 101328599 CIFIUKWHRADVGO-YPAWHYETSA-N 348.490 4.056 0 40 EIAB CCc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102673185 RDBDNFODBLHUAL-INIZCTEOSA-N 340.452 4.234 0 40 EIAB CC[C@H](C(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(OC)cc1 192604505 KICJYNAUJFBNPY-WMZOPIPTSA-N 344.480 4.317 0 40 EIAB O=C(Cc1ccc(F)cc1)NCCSCc1cccc(Cl)c1 223126738 HGNCFAIZMMRELK-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 224037846 DOVSRDNGWMPEQB-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB CCCSc1nnc(NC(=O)c2ccc(C)cc2Cl)s1 225006152 RNXCOWWPSOMHCE-UHFFFAOYSA-N 327.862 4.254 0 40 EIAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)OCc1ccccc1 225087318 ICIFQDDSSWBECV-HNNXBMFYSA-N 325.191 4.206 0 40 EIAB CC(C)C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 225492706 SDGKDEPWDLLBAX-INIZCTEOSA-N 342.464 4.489 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)c1snnc1-c1cccs1 225790630 JWNBJYSMSBGZGO-LBPRGKRZSA-N 343.477 4.018 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c(C)n1 225905756 QIEFCECBAWYXDY-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 226265874 OSKRELSEWWUICZ-UHFFFAOYSA-N 337.467 4.320 0 40 EIAB CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Cl)c2)c1 390833246 FDXREOJGLAUAON-UHFFFAOYSA-N 331.803 4.042 0 40 EIAB CCCCc1nc(CSc2ncc3c(n2)CCCC3=O)cs1 629199803 VREOPQQXYOHWII-UHFFFAOYSA-N 333.482 4.087 0 40 EIAB FC(F)(Cl)Oc1ccc(NC(=S)NCc2ccccc2)cc1 92101 SYOIDGZXQFJDBA-UHFFFAOYSA-N 342.798 4.341 0 40 EIAB C[C@H](NC(=O)Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1396203 FNBUYXDNGZZTJT-JTQLQIEISA-N 342.748 4.174 0 40 EIAB CCCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 2104322 NKEHQYHZOVNODD-UHFFFAOYSA-N 328.441 4.115 0 40 EIAB CCCCOCCCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2428386 YEMVRLVPRFBPRT-UHFFFAOYSA-N 332.835 4.383 0 40 EIAB O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1 2647755 PDOHAZQHURJVQL-UHFFFAOYSA-N 335.388 4.446 0 40 EIAB COc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1 3222300 CXFGHYWPINFBAZ-UHFFFAOYSA-N 338.379 4.061 0 40 EIAB CC(C)Oc1ccc(C(=O)OCC[C@H]2CCCN3CCCC[C@@H]23)cc1 4026620 FMEJIPSHYUISGF-XLIONFOSSA-N 345.483 4.285 0 40 EIAB biogenic O=S(=O)(Cc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)no1 5947136 SYUVFEQLEKJORA-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 7779954 YJEUAHQLAKZSQS-QSOAKEGCSA-N 334.415 4.312 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 10110389 QKEYMFIGDKNEDA-QGZVFWFLSA-N 327.493 4.366 0 40 EIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Oc3ccccc3)c12 11611178 RYWNHCSNZJSQCP-UHFFFAOYSA-N 349.415 4.224 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12629097 GFRHSCDXFGDIOA-PEKVBPLLSA-N 335.382 4.079 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)N[C@H](C)CCc1ccccc1 12865827 AHGFBPQSDDOKKH-CVEARBPZSA-N 326.440 4.077 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 14348927 KXTCYEDFDOBXET-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1OC 14396714 KDOYHIADCNOWSJ-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB Cc1cccc(CSc2nc(=O)n(-c3ccccc3)c3c2CCC3)c1 15840411 VZTHCFFDQYOEMN-UHFFFAOYSA-N 348.471 4.322 0 40 EIAB O=C(c1ccc(Br)cc1)[C@H]1N=NC[C@H]1c1ccccc1 18191138 BKJQXHLZKYAJHO-GJZGRUSLSA-N 329.197 4.250 0 40 EIAB CCCCn1c(=N)n(CCCOc2ccc(F)cc2)c2ccccc21 19900336 KDPAKGRMCVOZIC-UHFFFAOYSA-N 341.430 4.331 0 40 EIAB COc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)cc1 20107712 UVZRQDYYVYUGNI-HNNXBMFYSA-N 329.465 4.196 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSc1ccccc1 20452511 BSLNIZDYDNXMFP-GOSISDBHSA-N 343.492 4.369 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1F 20898228 WBMAMOOJDKFTNA-UHFFFAOYSA-N 331.734 4.090 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(F)c1 22464780 SBWJPORNVPPIKZ-UHFFFAOYSA-N 340.398 4.094 0 40 EIAB O=C(Cc1csc2nc(-c3cccs3)cn12)NC1CCCCC1 24754561 HTZYKDWYTKDYSY-UHFFFAOYSA-N 345.493 4.116 0 40 EIAB CCCCN1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O 27792512 NWLPJBAKHYOIIK-INIZCTEOSA-N 327.472 4.198 0 40 EIAB CC(C)Oc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1Cl 32818218 IWHDIDKVCYQMMJ-UHFFFAOYSA-N 329.787 4.256 0 40 EIAB O=C(NCc1cc[nH]n1)Nc1cc(Cl)ccc1Oc1ccccc1 40120019 GUNMMZYUTZKMMD-UHFFFAOYSA-N 342.786 4.177 0 40 EIAB O=C(CCCc1cccs1)Nc1ccnn1Cc1cccs1 40160118 BJUZBRCBLYXUNJ-UHFFFAOYSA-N 331.466 4.016 0 40 EIAB Cc1nnc(NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 51190222 UTPIVZGIUZLVTG-UHFFFAOYSA-N 345.255 4.210 0 40 EIAB Cc1ccc(CCC(=O)N2CCC(c3ccc(O)cc3)CC2)c(C)c1 55125066 UWRNBPBZUUGDOA-UHFFFAOYSA-N 337.463 4.348 0 40 EIAB Cc1ccccc1[C@@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 58434339 CXCQWEHBPHGUMY-CQSZACIVSA-N 347.397 4.412 0 40 EIAB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(-n2cccn2)c1 69622905 MZQIHYSKVORFKG-LJQANCHMSA-N 349.438 4.272 0 40 EIAB CC(C)(NCc1ccc(F)c(Br)c1)c1nccs1 71909499 LCZKOYULKNDBJJ-UHFFFAOYSA-N 329.238 4.070 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 72227806 LZNRWHKKEUWPNS-UONOGXRCSA-N 341.625 4.062 0 40 EIAB COc1cc(C(=O)N[C@H](C)c2ccccc2)nc2c(C)cc(F)cc12 72329524 RJDXRALAILOJOY-CYBMUJFWSA-N 338.382 4.182 0 40 EIAB CC(C)(C)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2CO)cc1 79111238 XVRTXPNHJNOEKF-LJQANCHMSA-N 338.451 4.108 0 40 EIAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)Nc1ccccc1 85474575 SLDQKUUTERYHHX-INIZCTEOSA-N 344.461 4.213 0 40 EIAB O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCOCC1 95412445 MGRMPTRXIXVYQE-SFHVURJKSA-N 347.817 4.111 0 40 EIAB CN(Cc1ccccc1NCc1cccnc1)C(=O)c1cccs1 95429254 PMOLCMZOALUTNC-UHFFFAOYSA-N 337.448 4.027 0 40 EIAB CCc1nc(C[S@@](=O)Cc2csc(C3CCCC3)n2)cs1 96402802 CJQAJYKNANNJJS-NRFANRHFSA-N 340.539 4.269 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225503602 QHASSDNMULAXBH-OAHLLOKOSA-N 339.435 4.370 0 40 EIAB CC(C)C1(NC(=S)Nc2ccc(N3CCCC3=O)cc2)CCCC1 225865372 UYBDMNRSBUQLNX-UHFFFAOYSA-N 345.512 4.069 0 40 EIAB CO[C@@H](CNCc1c[nH]nc1-c1cccs1)c1ccc(Cl)cc1 525195863 TXKGXDYNKSJYGY-HNNXBMFYSA-N 347.871 4.269 0 40 EIAB CC[C@H]1CC[C@H](C)N(C(=O)c2cccc(NCc3ccccn3)c2)C1 1552786667 AXSQYAMYXUNLDF-IRXDYDNUSA-N 337.467 4.344 0 40 EIAB CC(C)Cn1c([C@H]2CCCN2C(=O)c2ccco2)nc2ccccc21 1615152313 XXIABWAWINYCRK-QGZVFWFLSA-N 337.423 4.263 0 40 EIAB Cc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@@H](C2)C3(F)F)cc1Cl 1668522010 BADCECVASKHOBM-NXEZZACHSA-N 335.181 4.421 0 40 EIAB O=C(Cc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 244554 WGLWVBRPUYJVFJ-UHFFFAOYSA-N 344.867 4.014 0 40 EIAB COc1cc2sc(NC(=O)c3cccc(F)c3)nc2cc1Cl 557533 OMSYYSZQDAQJGO-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB CCn1nc(NC(=O)c2ccccc2C)c2cc3cccc(C)c3nc21 1283053 MVBPEUYUYJHNTM-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB Cc1cc2nn(CN3CCC[C@@H](C)C3)c(=S)n2c2ccccc12 3315341 UAQFQIPVRAQXIG-CYBMUJFWSA-N 326.469 4.016 0 40 EIAB Cc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1Cl 4354701 MRAYGTSVKBKSKP-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1 4433441 JIEHNYYDLYTJTA-UHFFFAOYSA-N 347.846 4.162 0 40 EIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccc(F)cc1 4484981 SJOODVKSVYJDCJ-SECBINFHSA-N 349.818 4.475 0 40 EIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NC1CCCCC1 5146566 QCOIKDLPTPVWTL-UHFFFAOYSA-N 339.464 4.054 0 40 EIAB Cc1ccc(OCc2ccc(C(=O)n3nnc4ccccc43)cc2)cc1 6479776 ANUBMIXUESBMRL-UHFFFAOYSA-N 343.386 4.007 0 40 EIAB O=c1[nH]c2ccc(NCc3ccc(OCc4ccccc4)cc3)cc2[nH]1 6670330 HEOITKPXPIEIHI-UHFFFAOYSA-N 345.402 4.047 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 7294637 FXBHFEJWHKQNDX-KBPBESRZSA-N 327.449 4.154 0 40 EIAB C[C@@H](NC(=O)CSc1ccccn1)c1ccc(Cl)cc1Cl 7699804 MUKYYYGAHXFRES-SNVBAGLBSA-N 341.263 4.358 0 40 EIAB O=C1c2ccccc2N[C@@H](c2cccc(C(F)(F)F)c2)N1C1CC1 7886066 YVXPYWQUVMEWJP-MRXNPFEDSA-N 332.325 4.434 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(F)cc1 8330135 ZAJUKULRBPCPPG-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB CCc1cccc(N(C(=O)Nc2cccc(OC)c2)C2=NCCC2)c1 9316171 SFROOSHFABKGBR-UHFFFAOYSA-N 337.423 4.488 0 40 EIAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2cccc(C)c2)cc1Cl 10943573 VJTITRPXAXOVGD-GFCCVEGCSA-N 345.830 4.046 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3C)s2)cs1 12396635 FDQNFWWWOLEFRU-UHFFFAOYSA-N 342.489 4.461 0 40 EIAB Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OCN(C1CC1)C3 12442387 RVOMLTIHNDTNDX-UHFFFAOYSA-N 333.387 4.083 0 40 EIAB biogenic CCc1nc2ccccc2n1C[C@H](O)c1cccc(Br)c1 12525242 IUXXTLQGCHVGKY-INIZCTEOSA-N 345.240 4.095 0 40 EIAB CC(C)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 12689392 BZZFIKZUQXZLIX-UHFFFAOYSA-N 328.437 4.472 0 40 EIAB Cc1ccc(CN(C)Cn2nc(-c3cccs3)[nH]c2=S)cc1 12772813 RISXMKPSTMSIDP-UHFFFAOYSA-N 330.482 4.067 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc2cccnc12 14900047 JDKRAYKNLDPOIN-UHFFFAOYSA-N 343.386 4.379 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)ccc1F 15497591 KXBRRZWRSKDKAR-IBGZPJMESA-N 338.382 4.037 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)c1 17370439 NTCWKDSIJUPCRK-VKUYVZBCSA-N 345.826 4.248 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 18144081 APDPTEZNIIDUGX-YSSFQJQWSA-N 347.414 4.489 0 40 EIAB Cc1nc([C@H](C)Cn2nc(C)c(C)c2C)cc(N2CCCCCC2)n1 19717954 LISOOSPEGUVZKY-CQSZACIVSA-N 341.503 4.091 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSc1ccccc1 20048959 NMVZGMOCCMWXFX-SFHVURJKSA-N 343.492 4.369 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(-n3cccc3)c2)cc1 21623767 BRIQDFYMYIESMX-OAQYLSRUSA-N 346.430 4.463 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 21836668 IODCVGYSZQVVMD-SCLBCKFNSA-N 347.842 4.383 0 40 EIAB CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccoc1 21902610 JEXJHLSPIBEKFY-UHFFFAOYSA-N 344.592 4.347 0 40 EIAB CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2ccccc21 22234408 HWZLAFRGFZZHGR-UHFFFAOYSA-N 344.773 4.066 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2ccco2)c1 22526022 CJLXXXVEBURBRP-MRXNPFEDSA-N 347.480 4.022 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCc1ccccc1 28574518 PGOKKUQLROINBH-UHFFFAOYSA-N 333.435 4.120 0 40 EIAB Cc1nc(NC(=O)c2ccc3c(c2)OCO3)sc1-c1ccccc1 29921681 HCNCGVMTGJALRJ-UHFFFAOYSA-N 338.388 4.100 0 40 EIAB O=C(NCCOc1ccc(F)cc1)c1sccc1-c1ccccc1 30133065 DLOIJBLAQVVHIZ-UHFFFAOYSA-N 341.407 4.363 0 40 EIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(F)cc1 32610592 KWRQOKDHRHRPBV-UHFFFAOYSA-N 347.752 4.115 0 40 EIAB CCCn1nc(C)cc1NC(=O)Nc1ccccc1C(F)(F)F 32610664 HEGZNCZYBOTZAO-UHFFFAOYSA-N 326.322 4.264 0 40 EIAB COc1ccc(OC)c(CSCc2nc(-c3ccccc3)no2)c1 32909495 VHEPDWWXDSVVBO-UHFFFAOYSA-N 342.420 4.187 0 40 EIAB O=C(NCc1nc2ccccc2s1)c1cc2ccccc2cc1O 36063450 OSOABCFGIRWNIU-UHFFFAOYSA-N 334.400 4.085 0 40 EIAB Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 36714807 ZYDOBWVFYOOIDI-NRFANRHFSA-N 348.471 4.388 0 40 EIAB CCc1cccc(C)c1NC(=O)c1ccc(Cn2ccnc2C)cc1 38856992 NZDYQVUJYWYSGR-UHFFFAOYSA-N 333.435 4.363 0 40 EIAB C[C@@H](C(=O)N1CCC[C@H]1c1ccsc1)n1cnc2ccccc21 44943623 GTIYKSVVRWNTRE-BBRMVZONSA-N 325.437 4.023 0 40 EIAB Cc1c([C@@H](C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)oc2ccccc12 46650269 FZWFSKOUZQJNBU-CJNGLKHVSA-N 348.402 4.044 0 40 EIAB Fc1cccc(-c2ncc(I)cc2Cl)c1 47203754 JSUOCPHHRBLYSH-UHFFFAOYSA-N 333.531 4.146 0 40 EIAB Cc1ccc(CN(C(=O)c2cc(F)cc3[nH]cnc23)C(C)C)s1 57444614 PULRYLXIFPPUIR-UHFFFAOYSA-N 331.416 4.123 0 40 EIAB Cc1cccc2c1C(=O)N[C@@H](c1cc3cccc(C)c3nc1Cl)N2 58128906 GZRUPPXNEQNBMZ-SFHVURJKSA-N 337.810 4.359 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c2[nH]ncc12 69046474 CDECAKKJKJNOBU-CMPLNLGQSA-N 325.334 4.179 0 40 EIAB CC[C@H](c1ccccc1)N(CC)C(=O)[C@H](C)c1c(C)nn(C)c1C 71844136 UGSCCGRNAJAYCY-RDTXWAMCSA-N 327.472 4.140 0 40 EIAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc(Cl)c1 72228974 DKCFSGCRDMIDTD-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB CCc1nccn1-c1cccc(C2CCN(Cc3ccccc3)CC2)n1 72378659 IWCMDPASMGBAMY-UHFFFAOYSA-N 346.478 4.209 0 40 EIAB COc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1O 75572402 UEWMHEPUCKNVHT-UHFFFAOYSA-N 340.379 4.092 0 40 EIAB CC[C@@H](C)CN(C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 76018669 NGVCIEGURGOGJY-CQSZACIVSA-N 334.460 4.063 0 40 EIAB Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 81000273 OFCGXLRXCRPVCZ-SJORKVTESA-N 348.450 4.000 0 40 EIAB CC(C)OCc1cccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c1 89143664 WPCPFAONZDADIU-UHFFFAOYSA-N 346.515 4.451 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2cc(Cl)ccc2Cl)no1 89262864 IHLPKEXDLSXYRX-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB Cc1csc([C@H]2CN(Cc3ccc(C(C)(C)C)s3)CCO2)n1 92790141 WFPSOMKEWGEQQP-CQSZACIVSA-N 336.526 4.384 0 40 EIAB Cc1nnc(CN2CC[C@H](c3cccc(Oc4ccccc4)c3)C2)o1 95405399 BJUOFCYDRSTVRE-KRWDZBQOSA-N 335.407 4.160 0 40 EIAB Cc1cccc([C@H](C)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 95984398 QRZQNBYBRDEBLP-GDIGMMSISA-N 343.854 4.398 0 40 EIAB CO[C@@](C)(CNC(=O)c1cc2ccccc2s1)c1ccccc1F 96391043 RDFOHIDIXXLWKH-IBGZPJMESA-N 343.423 4.332 0 40 EIAB COCc1ccc(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)o1 97494369 DDZVNOFMNMFSMI-OAHLLOKOSA-N 342.439 4.053 0 40 EIAB CC1(C)O[C@@]2(C)CC[C@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc2ccccc12 101152091 DFLHMSDIBOUJBH-ACPWTZAFSA-N 336.435 4.402 0 40 EIAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)cc1 101940726 NPIJXUGEZHABCE-YXRJLALLSA-N 345.489 4.097 0 40 EIAB Cc1[nH]c2nc3ccccc3n2c(=O)c1Cc1ccc(C(C)C)cc1 105330471 PACATJWKRDWUAK-UHFFFAOYSA-N 331.419 4.198 0 40 EIAB C[C@@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1nnc(-c2cccs2)o1 108179837 DKSYQFUUULDZSV-MROQNXINSA-N 332.425 4.229 0 40 EIAB O=C(C1CCC(O)CC1)N1CCCCC[C@H]1/C=C/c1ccccc1 194393507 PKRWSAJKMUHGOB-JRSKVSSZSA-N 327.468 4.022 0 40 EIAB CO[C@H](CNC(=O)CSCc1ccccc1)c1ccccc1Cl 206850488 SYAYGZFBFZTDCV-QGZVFWFLSA-N 349.883 4.077 0 40 EIAB COC(=O)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 216942643 BQZMISYIRHLUDN-UHFFFAOYSA-N 347.823 4.423 0 40 EIAB Cc1nc(S[C@@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)nc2c1CCCC2 221942885 ICBMSLDVHUITMU-VVFCZOMOSA-N 330.497 4.150 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1cccc2ccccc12 223550370 OFDINGINWWPZOG-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB Cc1nc(NC(=S)NCc2ccc(F)cc2)c(Cl)cc1Cl 223945742 LBPACBRDUUHXRD-UHFFFAOYSA-N 344.242 4.323 0 40 EIAB CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)c(C)c1 224931467 YBZYSCAMLGPNJA-SFHVURJKSA-N 341.451 4.267 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1 225289249 FJISNPUSDXPASO-OAQYLSRUSA-N 347.462 4.429 0 40 EIAB CC(C)(C)OC1CC(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 225531400 ZCOMGRZAAQMZGL-GGXGYQBMSA-N 333.447 4.029 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 225641326 JNZSZWNSOCCMFA-LBPRGKRZSA-N 336.407 4.027 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225641802 ILJFNRKRDASPPH-GFCCVEGCSA-N 336.407 4.027 0 40 EIAB O=C(NCc1cccnc1-c1ccco1)c1ccc(-n2cccc2)cc1 225661351 WXCJWUYQSNWWFJ-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB C[C@@H]1CN(Cc2ccccn2)CC[C@H]1N[C@@H]1CCCc2sccc21 245304966 HIPXPRGUIYLXAL-ATZDWAIDSA-N 341.524 4.021 0 40 EIAB Cc1c([C@H](C)NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)oc2ccccc12 247657339 XDNOQLOGPJLYDA-QMCVQRASSA-N 342.439 4.059 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1 253472858 QCVCWPKUBNBVCT-CQSZACIVSA-N 337.394 4.351 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)O[C@@H]2CCC[C@@H]12 257235110 GWLYNDHILYCLOW-LCGIIJARSA-N 328.239 4.128 0 40 EIAB Cc1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)nc(-c2ccccc2)n1 331769489 BSMXXRJRYFTETQ-CQSZACIVSA-N 331.366 4.216 0 40 EIAB Cn1cc([C@@H](Nc2ncnc3sc4c(c23)CCC4)C(C)(C)C)cn1 674747496 YNSDTNRPIWTPRW-OAHLLOKOSA-N 341.484 4.113 0 40 EIAB Cc1cc(CN2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)on1 2086889782 DREXHGRKFZWSAD-UHFFFAOYSA-N 348.450 4.183 0 40 EIAB Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222274 JOJOFTRONHMCLV-CVEARBPZSA-N 328.778 4.217 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)OCCCc2ccc3c(c2)OCO3)C1(C)C 1747014 FEFQVHMYNXMPCL-QAPCUYQASA-N 330.424 4.130 0 40 EIAB CCN(CC)C[C@H](C)[C@@H](C)OC(=O)c1ccc(OCC(C)C)cc1 2040877 GRALFSQRIBJAHX-DLBZAZTESA-N 335.488 4.245 0 40 EIAB in-man C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc2ccccc2c1 2620384 FRGRHPLSKOPVHZ-ZDUSSCGKSA-N 348.431 4.002 0 40 EIAB CC1CCN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)CC1 2766427 JQCYJHWOSBCTAL-UHFFFAOYSA-N 347.418 4.276 0 40 EIAB COc1ccc(Nc2nnc(SCc3c(C)noc3C)s2)cc1 3302334 ODIYWWLYGDSXAO-UHFFFAOYSA-N 348.453 4.187 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1C 3317666 IZAVMFXZOWJKLU-UHFFFAOYSA-N 343.448 4.039 0 40 EIAB O=C(COC(=O)CCC1CCCC1)Nc1cccc2ccccc12 3318569 GSOXVFCVNXWVHD-UHFFFAOYSA-N 325.408 4.292 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2c(Br)cccc12 3756623 FPYDZTQBMQOCTK-UHFFFAOYSA-N 328.165 4.363 0 40 EIAB COc1ccc(Cc2noc(Cc3c(F)cccc3Cl)n2)cc1 4617008 GJFFVHSCNWHJNH-UHFFFAOYSA-N 332.762 4.052 0 40 EIAB Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCN2)o1 5342077 KSQCLCFOTRQBPG-NSHDSACASA-N 330.240 4.093 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5374131 WELQMAKVPRZXLK-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 6629573 COLZXHQDBGXOJG-RVDMUPIBSA-N 330.384 4.063 0 40 EIAB CCCCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1OC 6651633 YPJZGCZNPOKSPZ-GHRIWEEISA-N 337.419 4.391 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 6656099 ZXMGCKSHPIQTAU-UHFFFAOYSA-N 337.375 4.479 0 40 EIAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C 6743444 FHQOGJKQYAIGOX-UHFFFAOYSA-N 349.478 4.242 0 40 EIAB CCc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 6789304 INWTWCYMDPYFHJ-UHFFFAOYSA-N 331.799 4.316 0 40 EIAB CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1 7650088 YALNRGMQVQXBEO-UHFFFAOYSA-N 338.201 4.329 0 40 EIAB O=C1COc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2N1 8042164 WMKAHNAINPNXEB-UHFFFAOYSA-N 341.367 4.024 0 40 EIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 8130937 OZJPWKIZVIVSQY-KRWDZBQOSA-N 340.467 4.079 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1C 8478283 WPYVVYDRESUVRL-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB COc1ccc(Cl)c2c(O)c(CN3CCCC[C@H]3C)c(C)nc12 8717471 GHIHOVVBHIOILI-LLVKDONJSA-N 334.847 4.285 0 40 EIAB COc1ccc(Cl)cc1CSCC(=O)N[C@@H]1CCCC[C@H]1C 9938582 MLRFUFLLFNZAMT-IUODEOHRSA-N 341.904 4.277 0 40 EIAB C[C@H]1CN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@@H](C)O1 13071074 MDZVDOLYUVELRM-VWKPWSFCSA-N 348.446 4.201 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COc1cccc2c1CCC[C@H]2O 13071486 IYLUOQKGRZJMJH-QGZVFWFLSA-N 345.826 4.036 0 40 EIAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21 13302425 IGUDTNVZIOWVIV-DUXKGJEZSA-N 330.468 4.097 0 40 EIAB biogenic,in-vitro Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC=CCC3)s2)cc1 14696011 HBUIIYDKVMYTRB-AWEZNQCLSA-N 345.493 4.434 0 40 EIAB Cc1cc(SCc2ccc(Cl)cc2Cl)n2ncnc2n1 19853519 WSZSBJSBPGFOTM-UHFFFAOYSA-N 325.224 4.032 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccccc1 20108470 IMFRFEVFQDYSMF-OALUTQOASA-N 327.424 4.120 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1 20487840 CWEGTISRNKPRRT-AWEZNQCLSA-N 344.405 4.449 0 40 EIAB CCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1 21635031 WPUTXNSCHJNZCH-UHFFFAOYSA-N 331.372 4.142 0 40 EIAB COCc1c(C(=O)N[C@@H](C)c2ccccc2OC)oc2ccccc12 22367581 SBBFOHBSSACPJF-ZDUSSCGKSA-N 339.391 4.079 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 22513708 XTECEXYUUKMDRV-GFCCVEGCSA-N 333.815 4.317 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)nc1 22829016 SCTQWVUHRVSXGN-UHFFFAOYSA-N 329.831 4.368 0 40 EIAB CN(Cc1ccsc1)C(=O)Cc1csc(-c2ccsc2)n1 32747595 YCZOHQRHHZUFPH-UHFFFAOYSA-N 334.491 4.134 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)C1(c2ccccc2)CCOCC1 32982259 GEBDJBUAZHROJH-UHFFFAOYSA-N 343.854 4.047 0 40 EIAB O=C(Nc1ccon1)c1cc2occc2n1Cc1ccccc1Cl 36358700 WKVOKOKBNZDPBV-UHFFFAOYSA-N 341.754 4.176 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(Cl)cc1Cl 41095130 ORPFIEBMMIVMQX-NSHDSACASA-N 344.263 4.341 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Oc2cc(C)nc3ccccc23)c(C)c1 41097156 JDKIIXPLESUMQA-UHFFFAOYSA-N 341.432 4.236 0 40 EIAB CC(C)(C)c1ccc(C(=O)CCNc2ccc(C(=O)O)cc2)cc1 55174976 ZENWDECNGJNNEB-UHFFFAOYSA-N 325.408 4.367 0 40 EIAB Cc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413565 NSTNYCJGZKPXJA-UHFFFAOYSA-N 339.826 4.011 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 65516048 AVLKEEKKDXKCCZ-GFCCVEGCSA-N 340.320 4.097 0 40 EIAB Cc1ccccc1-n1cnnc1S[C@@H](C)c1nc(C(C)(C)C)no1 69597132 CBSRKAOVSZFREL-LBPRGKRZSA-N 343.456 4.110 0 40 EIAB O=C(NCc1ccncc1)N1CCc2sccc2[C@@H]1c1ccccc1 69707658 XAKJWEGNSUINRM-IBGZPJMESA-N 349.459 4.000 0 40 EIAB COC1CCC(N(C)C(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 71908557 BLYXWSLEAFUSMJ-UHFFFAOYSA-N 344.480 4.148 0 40 EIAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1C(=O)c1ccccc1 72219288 FGHTYULXJZRNSA-HXUWFJFHSA-N 349.478 4.358 0 40 EIAB COc1ccccc1SC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79440443 LYSPGNMXJSVXTI-AWEZNQCLSA-N 337.485 4.434 0 40 EIAB Cc1nc2c(cc(OCC(=O)N(C)CC(C)C)c3ccsc32)s1 84287016 JXLOPJUEOMSNMS-UHFFFAOYSA-N 348.493 4.313 0 40 EIAB CC(C)[C@H](Sc1ncc2ccccn12)C(=O)NC1CCCCCC1 84409091 MFJAFLBAQCPHJF-KRWDZBQOSA-N 345.512 4.290 0 40 EIAB COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2csc(C3CC3)n2)c1 84544976 GEZPZOAXORQDCI-QWHCGFSZSA-N 344.480 4.400 0 40 EIAB Cc1ncsc1CNc1cccc(C[S@@](=O)c2ccccc2)c1 89565579 YMAJDVXZKJBMGN-QHCPKHFHSA-N 342.489 4.371 0 40 EIAB Cc1ccc([C@H](C)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 95422338 NHIVIVCLAUCJOW-KRWDZBQOSA-N 341.499 4.163 0 40 EIAB CC(C)CNC(=O)c1ccc(NCc2nccn2C(C)C)cc1Cl 95965275 ZDXFXPFJJAKXFR-UHFFFAOYSA-N 348.878 4.115 0 40 EIAB CSCc1cc(F)ccc1CN[C@@H](C)c1cccc(NC(C)=O)c1 95969165 WHSFKTQWMMDWNX-ZDUSSCGKSA-N 346.471 4.498 0 40 EIAB CC[C@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F 96415079 QTGBMCXMJQYULT-BZNIZROVSA-N 346.377 4.098 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 96415164 JYCLMSDMTJJAPA-YVEFUNNKSA-N 333.382 4.214 0 40 EIAB CC(=O)Nc1ccc(O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 96448233 WLTZYYKTIXYFQL-CYBMUJFWSA-N 337.379 4.143 0 40 EIAB O=C(O)C1=C[C@H](c2cccc3ccccc23)n2c(nc3ccccc32)N1 102243871 QSHZFVNJTZVEBM-LJQANCHMSA-N 341.370 4.173 0 40 EIAB CC(C)(C)NC(=O)CSCc1cc(-c2ccc(Cl)cc2)no1 105627568 RGKOVICCFHIVPH-UHFFFAOYSA-N 338.860 4.143 0 40 EIAB C[C@@H]1[C@@H](NC(=O)c2ccc(COc3ccccc3)o2)CCC[C@H]1C 108320446 RSTUAYCZSBIHGT-VKJFTORMSA-N 327.424 4.413 0 40 EIAB COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 113942896 UTYNGPHTXRMAFX-AWEZNQCLSA-N 347.842 4.049 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(C)c(C)c1 219503936 ONUOKXAQXNKTTM-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 219863177 HNTMDZNXZUVIKZ-JOCHJYFZSA-N 348.490 4.405 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)Cc2ccccc2Cl)cc1 223660920 QFLIEDALRCNAFR-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N[C@@H]1C[C@@H]2CC[C@@H]1C2 223662549 TVDNGVGJHVCCBW-UEKVPHQBSA-N 327.852 4.017 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccccc2C(C)C)c(C)c1 223831259 VPYPLIMXGTZSIH-UHFFFAOYSA-N 325.452 4.165 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1 225289284 FJISNPUSDXPASO-NRFANRHFSA-N 347.462 4.429 0 40 EIAB CO[C@H](CNC(=O)c1ccccc1SC)c1ccc(Cl)s1 225701531 ZDTZWGPSXVUGIK-LLVKDONJSA-N 341.885 4.241 0 40 EIAB CC(C)N1CCC[C@@H](Cc2ccnc(-c3ccccc3C(=O)O)c2)C1 257336588 YPCJMIDPMRPEBM-KRWDZBQOSA-N 338.451 4.110 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)NC1CCCCCCC1)c1ccccc1 409001437 INSXAINWVWXQGA-SFHVURJKSA-N 346.471 4.093 0 40 EIAB CCc1cccc(C)c1NC(=O)CSCc1ccc(OC)cc1 409122380 XLFBGWACIYVILD-UHFFFAOYSA-N 329.465 4.438 0 40 EIAB O=C(Nc1ccc(OC(F)F)cn1)c1ccc(-c2ccccc2F)o1 554299049 UCDSGKLOWBBUKG-UHFFFAOYSA-N 348.280 4.334 0 40 EIAB O=C(NCc1cccs1)NC[C@@H](c1ccco1)c1cccs1 585146841 YRAXPVBYALQGEB-ZDUSSCGKSA-N 332.450 4.034 0 40 EIAB Cc1cccc(CN(C)[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)c1 585289177 NITGARHATHRCLK-KSEOMHKRSA-N 339.479 4.096 0 40 EIAB Cc1ccc(F)cc1-c1noc([C@@H](C)n2ccc(C(F)(F)F)n2)n1 632032158 SNFJSKUTJMWGDR-SECBINFHSA-N 340.280 4.009 0 40 EIAB FC(F)(Br)c1nc2cccc(Br)c2o1 1848350521 VGEWKTPFLRKCDP-UHFFFAOYSA-N 326.922 4.035 0 40 EIAB CCOC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 132277 LBTDFKNJUIGHPH-LLVKDONJSA-N 344.461 4.402 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C(C)C)cc1 574334 KBOIFRVMOLLDLO-OUKQBFOZSA-N 325.408 4.479 0 40 EIAB CC(C)c1nc(SCC(=O)N2CCC[C@H](C)C2)c2ccccc2n1 1342885 NOICZLFENDSZAN-AWEZNQCLSA-N 343.496 4.104 0 40 EIAB Cc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 2423244 MTTRZKBIMYHEMA-UHFFFAOYSA-N 346.459 4.475 0 40 EIAB COc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 2426706 XEPONGAGERMXIZ-HUUCEWRRSA-N 336.218 4.221 0 40 EIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2ccccc2c1 2636001 LVOPETDRMRRSFB-UHFFFAOYSA-N 335.787 4.433 0 40 EIAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1Cl 3280583 NPXLTPBTUDTDBN-UHFFFAOYSA-N 329.812 4.014 0 40 EIAB CCCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079404 LGRCOHIXZWOLSV-UHFFFAOYSA-N 329.450 4.446 0 40 EIAB Cc1ccnc(Nc2nc(-c3c(C)nc4sccn34)cs2)c1 4135704 IFAWIELOCTZGNZ-UHFFFAOYSA-N 327.438 4.275 0 40 EIAB COc1ccc2nc(NC(=O)CSc3ccc(F)cc3)sc2c1 4496698 KIEGNCBJZFMFKT-UHFFFAOYSA-N 348.424 4.175 0 40 EIAB Cc1ccc(C(C)C)c(OCCCn2c(=O)oc3ccccc32)c1 5014630 WDLJUJHDVHMLOQ-UHFFFAOYSA-N 325.408 4.495 0 40 EIAB Cc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1 6815759 SDMCQOBHYUAHBG-UHFFFAOYSA-N 333.391 4.176 0 40 EIAB C[C@H]1CCc2nc(NC(=O)c3ccc(OC(F)F)cc3)sc2C1 6995124 MSNSJHIEYACJES-VIFPVBQESA-N 338.379 4.122 0 40 EIAB CC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1 7734559 BFIHJZCJFBAWCR-UHFFFAOYSA-N 348.402 4.081 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1 8195584 BHUDGOIPKMDOQD-UHFFFAOYSA-N 344.480 4.095 0 40 EIAB CCc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063560 RONNENTZPQBMKI-UHFFFAOYSA-N 340.442 4.239 0 40 EIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(F)cc(F)c1 10348410 AIYJJVQBWYTBIP-UHFFFAOYSA-N 348.296 4.109 0 40 EIAB COCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 11917957 JNFYZIIYMKIJTR-UHFFFAOYSA-N 339.391 4.127 0 40 EIAB C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 12815251 SNUKVOXFVYGYID-ABROSTTOSA-N 348.389 4.296 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nncc3ccccc23)c1 12822954 PJSVXLSVPXINHH-AWEZNQCLSA-N 337.448 4.366 0 40 EIAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(Cl)cc1 13137358 RTOVHTRDMODMPQ-UHFFFAOYSA-N 338.838 4.364 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)c(OC)c1 20036582 UCUMOJJMMKBLLS-HNNXBMFYSA-N 349.814 4.153 0 40 EIAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCCC2=O)cc1 20037939 OCCFAOAZGGAXRZ-UHFFFAOYSA-N 344.414 4.215 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c(OC)c1 21364301 KSKHBRHWBAXUDO-ZDUSSCGKSA-N 338.407 4.177 0 40 EIAB Cc1cn2c(CC(=O)Nc3ccc(Cl)cc3Cl)csc2n1 25050613 KBHBPWFXIYWYAC-UHFFFAOYSA-N 340.235 4.192 0 40 EIAB O=C(OCc1csc(-c2ccco2)n1)c1ccc2ncsc2c1 25431924 IXZVKRBLYNWQFW-UHFFFAOYSA-N 342.401 4.370 0 40 EIAB Cc1ccc(NC(=O)CNc2ccccc2Br)c(C)c1 25893144 YGRUJSYCWMDUCY-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 28231395 UWHUGBKOBQKRIL-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB C[C@H](NC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCO2 28579837 ZMOAEYQIIOMYFA-ZDUSSCGKSA-N 334.375 4.451 0 40 EIAB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 32788487 UDSQGQBZQWKLIN-RVDMUPIBSA-N 338.794 4.450 0 40 EIAB O=C(CC[C@H]1CCCO1)Nc1cccc(C2SCCCS2)c1 46165719 MSGIAQFQZIDQIY-OAHLLOKOSA-N 337.510 4.453 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2ccccc2[nH]1 48241467 ILEKUIBTTSLJFK-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 48276740 ZUZTWVBPWJQLPU-ZDUSSCGKSA-N 343.477 4.485 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(OC(F)F)cc1 48302863 LHQFVVAWQBSISA-UHFFFAOYSA-N 332.350 4.141 0 40 EIAB Fc1cccc(Cl)c1CN1CC(c2nc(-c3cccs3)no2)C1 49484673 NDYJBOBHDLIKSH-UHFFFAOYSA-N 349.818 4.190 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2Cl)cc1 51354294 JSGASYUFUJIRPV-UHFFFAOYSA-N 336.750 4.300 0 40 EIAB Cc1cc(N[C@@H](c2ccccc2)c2nccn2C)nc2ccccc12 53599545 OYGMJUBMLZXTNR-FQEVSTJZSA-N 328.419 4.478 0 40 EIAB CCCn1cc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1=O 57144201 YLTBZNMARQYIBO-UHFFFAOYSA-N 345.402 4.145 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccc(OC2CCCC2)cc1 58666282 WGNRIMKGQBWXHA-UHFFFAOYSA-N 336.391 4.330 0 40 EIAB Cc1ccoc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 65620648 MDAXQPLBEKSDIP-UHFFFAOYSA-N 346.386 4.043 0 40 EIAB C[C@@H](c1cccnc1)N(C(=O)c1cnc(Cl)c(Cl)c1)C1CC1 69323955 XLCSXEPMSGKQGI-JTQLQIEISA-N 336.222 4.149 0 40 EIAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c(F)c1 69414256 WHSJGBZWKAMYCJ-OAHLLOKOSA-N 348.399 4.043 0 40 EIAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc(C(C)(C)C)cs1 72405742 GFBKZORNTRHIKN-UHFFFAOYSA-N 340.452 4.093 0 40 EIAB CN(C(=O)CC/C=C/c1ccccc1)C1CCN(c2ccccn2)CC1 78093644 JKDQUUFASUDTCJ-VZUCSPMQSA-N 349.478 4.002 0 40 EIAB C[C@@H](Nc1ncc(Cl)cc1F)c1cccc(N2CCOC2=O)c1 79297221 KKKQDLPFGLCBLU-SNVBAGLBSA-N 335.766 4.004 0 40 EIAB CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1C 96389249 STOHFDDUYBRSKU-INIZCTEOSA-N 325.433 4.327 0 40 EIAB Cc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)s1 96409363 NZARIWOTQQKWJB-UHFFFAOYSA-N 345.308 4.322 0 40 EIAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102255481 WEMJXRNRNMHQQP-MNXVOIDGSA-N 342.266 4.313 0 40 EIAB CCCCCC[C@@H](C)NC(=O)CCC(=O)NCCC1=CCCCC1 199428307 VEIDKCFCXMTRCB-QGZVFWFLSA-N 336.520 4.248 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C)c3C)N21 222692518 CWAUEIIJYLWWCO-BMGDILEWSA-N 340.496 4.016 0 40 EIAB COc1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225088764 ZCIVIJXGFOFHMR-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB COCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(F)(F)F 225954851 BQSGPJVAXQZYGG-UHFFFAOYSA-N 345.361 4.249 0 40 EIAB CC(C)N1CCC[C@H]1c1cccc(-c2cc(F)ccc2C(=O)O)n1 257284861 PEQGBHMHSSPEBD-SFHVURJKSA-N 328.387 4.131 0 40 EIAB CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 408813193 OQISOIWQIZFPNO-QINSGFPZSA-N 342.420 4.367 0 40 EIAB CC(C)c1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)cc1 408822172 AMZSKRKELUDZIS-UHFFFAOYSA-N 339.391 4.110 0 40 EIAB Cc1ccsc1CCC(=O)NCc1cccnc1-c1ccsc1 585366793 YNQLWVJFWDDTTO-UHFFFAOYSA-N 342.489 4.429 0 40 EIAB CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccc3c[nH]nc3c2)o1 684448345 RYVRVNBHQHEGAN-GOSISDBHSA-N 337.423 4.015 0 40 EIAB Cc1cc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)no1 1535918584 AUSNKPVJMKYATF-RBUKOAKNSA-N 340.467 4.394 0 40 EIAB Clc1cc(Cl)c(OCc2cn3cccnc3n2)c(Cl)c1 79734 GTVLCMPFGIRVBU-UHFFFAOYSA-N 328.586 4.269 0 40 EIAB CCOc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C)C3)cc1 83253 HVMISXKMTUSREX-LLVKDONJSA-N 330.453 4.106 0 40 EIAB COc1cc(C(=O)Oc2ccc(C(C)C)cc2)cc(OC)c1OC 129643 IBHHAMGVCGEEHK-UHFFFAOYSA-N 330.380 4.055 0 40 EIAB O=C(COc1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 384563 SBYQFKPHPGKJPX-UHFFFAOYSA-N 346.382 4.159 0 40 EIAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 385936 HKTKMKNQHHVOBK-UHFFFAOYSA-N 345.826 4.226 0 40 EIAB CCCn1c(SCC(=O)c2ccccc2F)nnc1-c1ccco1 413167 QSEJOXWYHXNLBK-UHFFFAOYSA-N 345.399 4.062 0 40 EIAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 518684 AOYBIWCQSGSYJF-JAZQRGJZSA-N 328.452 4.037 0 40 EIAB biogenic COc1ccccc1OCCCC(=O)Nc1nc2ccccc2s1 1893033 HRRYDVDYICCDMG-UHFFFAOYSA-N 342.420 4.103 0 40 EIAB COc1ccc(CCNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 2644833 YPAUGRCCCAXNMB-IBGZPJMESA-N 345.870 4.447 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 2764389 AQYBRIQSXHIPRC-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1ccc(Cl)cc1 2922863 DUJFDTGMUKWELI-UHFFFAOYSA-N 335.812 4.231 0 40 EIAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3231773 XTCMEPMWLOLMCC-UHFFFAOYSA-N 347.361 4.058 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1 4179219 UZFDRFFDCWYPFY-VZJWBNGJSA-N 347.414 4.323 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12 4666587 FVQKRLCARKCLHF-UHFFFAOYSA-N 349.386 4.034 0 40 EIAB C=CNCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 5235848 FPLQSMGONGRXPO-UHFFFAOYSA-N 329.806 4.153 0 40 EIAB Cc1ccc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)o1 5421035 ZEIYZKYAUAODME-UHFFFAOYSA-N 333.387 4.484 0 40 EIAB COc1ccc(-c2cnc3cc(-c4ccc(N(C)C)cc4)nn3c2)cc1 6733707 KUQLKWMNSGGBND-UHFFFAOYSA-N 344.418 4.138 0 40 EIAB Cc1ccc(CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 7343142 RUVIKVSYRFPJAM-UHFFFAOYSA-N 336.460 4.270 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 8491419 IPZYPYNYIFZEHC-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB S=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccccc1 9391110 WEWXYKHBZJTFSO-LJQANCHMSA-N 339.508 4.100 0 40 EIAB CC(C)n1ncc2c(C(=O)N[C@H](C)C3CC3)cc(-c3ccccc3)nc21 9575601 NUMBPXKADSBTBX-CQSZACIVSA-N 348.450 4.208 0 40 EIAB Cc1ccc(CN(C)C(=O)Cc2csc(-c3cccs3)n2)cc1 9721528 QTDUDSXAKYSVNU-UHFFFAOYSA-N 342.489 4.381 0 40 EIAB COc1ccc(Cl)cc1CSCC(=O)N[C@H]1CCCC[C@H]1C 9938573 MLRFUFLLFNZAMT-DOMZBBRYSA-N 341.904 4.277 0 40 EIAB COC(=O)c1cc(NC(=O)CCc2ccc(C)cc2)ccc1Cl 10334904 NUKCHCNQZHAOAQ-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN(C)C1CCCCC1 12169837 ZKGHLKYIPSVZNW-MDNKFWRPSA-N 325.537 4.089 0 40 EIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)cc1 12768641 WBAMIAQWBQAGSD-UHFFFAOYSA-N 344.411 4.121 0 40 EIAB O=C(c1ccccn1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12775925 BAKNJYAIGZPFIF-UHFFFAOYSA-N 349.459 4.264 0 40 EIAB Cn1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1 13015122 LMKWKSZPHRJAOA-VQHVLOKHSA-N 343.839 4.454 0 40 EIAB CC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C 14049047 PSHVMCVBCDZQCF-INIZCTEOSA-N 333.435 4.376 0 40 EIAB Cc1ccccc1OCCN(C)C(=O)N[C@@H](C)CCc1ccccc1 17116363 DUCVOJTWTDTDSC-SFHVURJKSA-N 340.467 4.037 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1ccco1 17910175 AALODODXFAMUEJ-UHFFFAOYSA-N 344.414 4.260 0 40 EIAB Cc1sc2ncnc(N3C[C@H](C)O[C@H](C)C3)c2c1-c1ccccc1 18170079 UNAJOSIFFBYPHL-BETUJISGSA-N 339.464 4.280 0 40 EIAB Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 19736068 HUMQKPRTRLANCA-SNVBAGLBSA-N 339.222 4.290 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccccc1 20108469 IMFRFEVFQDYSMF-MOPGFXCFSA-N 327.424 4.120 0 40 EIAB COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)c(OC)c1OC 22784037 QREAIZIULFBXTR-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)C1CCOCC1 24877952 SZCZNSLHWMGUDM-HXUWFJFHSA-N 335.403 4.065 0 40 EIAB Cc1ccc2c(CC(=O)Nc3cccc(Cn4ccnc4)c3)coc2c1 25170704 JZTHQHSXVBRGQB-UHFFFAOYSA-N 345.402 4.167 0 40 EIAB CC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 27680338 GBMBIDADYYCRLI-UZLBHIALSA-N 333.435 4.243 0 40 EIAB Cc1ccsc1-c1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 28334323 PMJQTKHDHYCPMF-UHFFFAOYSA-N 326.446 4.366 0 40 EIAB Cc1cccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1C 28683207 ARKKMJGADOKCGN-ZDUSSCGKSA-N 343.496 4.244 0 40 EIAB COc1ccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c(OC)c1 28806115 OHGSNZQULXBKJP-CYBMUJFWSA-N 339.395 4.235 0 40 EIAB C[C@H](NC(=O)CC1(CC(=O)O)CCCCC1)c1cc2ccccc2o1 29010789 AJVMMXVRCJQDOH-AWEZNQCLSA-N 343.423 4.425 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 32895453 HABUSLUWIISPGD-SWLSCSKDSA-N 344.377 4.006 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Cl)cc1F 40082487 IMJKNWLIIXARTD-UHFFFAOYSA-N 346.789 4.248 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](c2cccs2)C(C)C)on1 44967130 KNVKCKOOFRLKSB-CZUORRHYSA-N 333.457 4.288 0 40 EIAB CC1=C(C)[C@@H](NCCC(C)C)N([C@@H](C)CCc2ccccc2)C1=O 57256214 MZTCODXPKOUUBM-JXFKEZNVSA-N 328.500 4.148 0 40 EIAB COc1ccc2nc(-c3ccccc3)cc(S[C@H](C)C(=O)O)c2c1 57312191 KERCCIFRSLBUIE-GFCCVEGCSA-N 339.416 4.476 0 40 EIAB COc1cc(N)c2nc(Nc3nc4cc(C)ccc4o3)sc2c1 57352570 NOZWBBRULOVSKB-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB O=C(NCc1ccccc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57413700 XZWYXCJFAJFCNN-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB O=C(/C=C/c1cccc2ccccc12)Nc1nc2c(s1)C(=O)CCC2 58431406 TVNPGODFWANGJU-VAWYXSNFSA-N 348.427 4.467 0 40 EIAB Cc1ccccc1-c1nnc(CNc2ccc(Br)cc2)o1 62649255 DZTRMPPIRYWEEA-UHFFFAOYSA-N 344.212 4.420 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1 63338408 PFSLSRYNRBVMEQ-UHFFFAOYSA-N 349.409 4.129 0 40 EIAB C[C@H]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1 68592890 WJXVFKYBSHGCGK-KYHPRHEASA-N 332.488 4.199 0 40 EIAB O=C(CSCc1csc(-c2ccccc2)n1)N1CCCCC1 69437639 MHWNMESWCQGRLM-UHFFFAOYSA-N 332.494 4.056 0 40 EIAB COc1ccccc1/C(C)=C/C(=O)N(C)Cc1ccc(F)cc1F 69516074 HRDCYWWGARAREX-JLHYYAGUSA-N 331.362 4.035 0 40 EIAB Cc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(CC(C)C)o3)n2)cc1 71893915 KAKNRWDNDLFRTI-GFCCVEGCSA-N 343.456 4.215 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC(c2cccs2)CC1 75157048 PJFJBYUZIXNYFV-UHFFFAOYSA-N 340.242 4.123 0 40 EIAB CC(=O)Nc1nc(CSCc2nc3ccccc3s2)cs1 75607253 AALBUDNRCBFUMR-UHFFFAOYSA-N 335.479 4.145 0 40 EIAB Fc1ccc([C@@H]2CN(Cc3ccncc3Cl)CCO2)cc1Cl 75685604 WBNNBMFKYWADTF-INIZCTEOSA-N 341.213 4.101 0 40 EIAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1 78848856 GCDRXYGDMAFIPV-LIRRHRJNSA-N 343.471 4.309 0 40 EIAB Clc1cc(CNc2ccc(Cn3cncn3)cc2)c2ncccc2c1 95428639 QMQSJYOEFWYNPZ-UHFFFAOYSA-N 349.825 4.140 0 40 EIAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95869946 GJUIWZUADCWWOP-AIOPYVAHSA-N 346.511 4.020 0 40 EIAB Cc1cc(N(C)[C@H](C)c2sc(C)nc2C)nc(-c2ccncc2)n1 95959052 SLUWTPBTCOSCFL-CYBMUJFWSA-N 339.468 4.118 0 40 EIAB Cc1ccc(N2C(=O)CC(=O)N(c3cccc4ccccc34)C2=O)cc1 103760049 ZDBSYHKFFFKLFF-UHFFFAOYSA-N 344.370 4.038 0 40 EIAB O=C(CCC1CC1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 195531261 OTSPRZWFDQTRHX-QGZVFWFLSA-N 327.403 4.070 0 40 EIAB COc1cccc(C(=O)N2CCS[C@@H](c3ccccc3F)CC2)c1 219088220 PBPYESJNLWJART-GOSISDBHSA-N 345.439 4.155 0 40 EIAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1C1CCCCC1 223080804 QPEPFGSXJOSASY-IAGOWNOFSA-N 343.521 4.448 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3cc(C)ccc3C)c(C)n2)cc1 223139754 GNHGGZWVKLOGQW-UHFFFAOYSA-N 347.418 4.330 0 40 EIAB COc1ccc(C(=O)NC2CC2)cc1COc1ccccc1C(C)C 224226137 RPXQTZMNCQTDNP-UHFFFAOYSA-N 339.435 4.290 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1 224910130 QRTGXICTZPCJBL-AWEZNQCLSA-N 347.842 4.385 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)cc2C)cc1 225639258 QYJJVNNTCIMDBA-INIZCTEOSA-N 328.481 4.366 0 40 EIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cl)cc4)OCC[C@@]31C2 257339834 ZDKAANRKZMDOMR-ILCCUAOLSA-N 347.886 4.359 0 40 EIAB CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC 409010103 DIHDOEDFPHSFGO-JASJWYONSA-N 349.452 4.319 0 40 EIAB O=C(O)CC1(CC(=O)N2CCCCC[C@@H]2c2ccco2)CCCC1 634885312 FNHSMUHUDSCLFL-OAHLLOKOSA-N 333.428 4.149 0 40 EIAB Clc1ccc(C[C@H](NCCC[C@@H]2CCOC2)c2ccccn2)cc1 645853103 RXCWBEZHSXPYNI-XLIONFOSSA-N 344.886 4.425 0 40 EIAB Clc1ccc2nc(N3CCC[C@H](COc4ccncc4)C3)oc2c1 2070389668 UZSSDIGJQOYBPR-ZDUSSCGKSA-N 343.814 4.172 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4cccc(C)c4)ccc1c23 181093 NHNMMLYSTLSHQY-UHFFFAOYSA-N 330.387 4.381 0 40 EIAB CC(=O)[C@H](C)Sc1nnc(Nc2ccccc2)n1-c1ccccc1 1440326 PJJLCCQEKCTRRH-AWEZNQCLSA-N 338.436 4.081 0 40 EIAB CCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2269839 YJLVYKZMAUPBIU-UHFFFAOYSA-N 342.468 4.303 0 40 EIAB CC(C)CC[C@@H](CCNC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 2332750 YESDLGNBFIQNOS-WMZOPIPTSA-N 333.472 4.094 0 40 EIAB O=C(CSc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 3383318 DDKWDEOJNDOJDD-UHFFFAOYSA-N 327.327 4.316 0 40 EIAB COc1ccc(OCCCC(=O)N[C@H]2CCCc3ccccc32)cc1 3606542 HXWXRNRZWNIEOV-FQEVSTJZSA-N 339.435 4.048 0 40 EIAB C[C@@]1(OC(=O)c2ccccc2)CCCC[C@H]1OC(=O)c1ccccc1 4127832 RCXVTIDYKZNKOZ-WIYYLYMNSA-N 338.403 4.402 0 40 EIAB CCOC(=O)c1sc(Nc2nc3c(F)cccc3s2)nc1C 4137675 XUZBIBJAAXZBQM-UHFFFAOYSA-N 337.401 4.121 0 40 EIAB CCOc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C 4678445 IMHNATXALHZFJI-UHFFFAOYSA-N 325.387 4.237 0 40 EIAB C[C@@H](CNC(=O)CSc1nc2ccccc2s1)c1ccccc1 6061255 KKQFKOSROORICK-ZDUSSCGKSA-N 342.489 4.308 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 7294634 FXBHFEJWHKQNDX-ZIAGYGMSSA-N 327.449 4.154 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Cl 7750030 MLRZSLSATXLQOM-SFHVURJKSA-N 340.810 4.243 0 40 EIAB O=C(CNc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 7971744 YQGFPOCFNGBTJJ-UHFFFAOYSA-N 328.721 4.409 0 40 EIAB CCOC(=O)c1cc(C(C)C)n(-c2ccc(Cl)cc2Cl)n1 8700420 XQTFGOSTLPHBRA-UHFFFAOYSA-N 327.211 4.479 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9063370 PKBCKBGUMRZSKY-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB COc1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1 10542239 VUXUHPJELCCJJC-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1Cl 11070779 FVGMIRLNTXFDAW-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(C)c1 12562718 MNKNYVIYSABVKA-OXJNMPFZSA-N 336.435 4.049 0 40 EIAB O=C(Nc1cccc2ncccc12)c1cccc(OC[C@H]2CCCO2)c1 12973169 PGGYACUHMUAOAI-QGZVFWFLSA-N 348.402 4.045 0 40 EIAB CC(C)CSc1nc2ccccc2c2nc(-c3ccncc3)nn12 13640203 WQHVMBKZGSAROS-UHFFFAOYSA-N 335.436 4.088 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 13777839 NAORKALMWGJFTQ-NUMJRFHMSA-N 348.229 4.251 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)CCC2 15636969 BRLXEKWDGGZQDX-UHFFFAOYSA-N 341.461 4.316 0 40 EIAB COc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)cc1 19555878 SPCPNWQWNCGDDX-INIZCTEOSA-N 330.478 4.287 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc(C)c1C 20106617 XUZVJKOTVKPNQE-SFHVURJKSA-N 341.451 4.176 0 40 EIAB CO[C@H](C(=O)NCCSCc1ccccc1Cl)c1ccccc1 20238624 YZZVEQDYTQDTSF-KRWDZBQOSA-N 349.883 4.077 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 20460664 BIKZPIBVQGIYDA-AWEZNQCLSA-N 343.423 4.233 0 40 EIAB Cc1ccc(-c2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 21801479 PGFOGNKEROYPHH-UHFFFAOYSA-N 333.439 4.327 0 40 EIAB CCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 24577710 JRJAFHRKBYWUHS-XBLGPDGASA-N 327.468 4.059 0 40 EIAB O=C(Nc1ccccc1O)c1ccc(SCc2cscn2)cc1 24987307 ZSQFZOANKOFHEC-UHFFFAOYSA-N 342.445 4.393 0 40 EIAB COc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222554 SVNYVMJEQIWGGK-NRFANRHFSA-N 347.462 4.107 0 40 EIAB COc1ccc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OC)cc1 28306007 ZOWMWUOBGKKXMJ-NSHDSACASA-N 334.803 4.240 0 40 EIAB Cc1cccc(Cn2cc(NC(=O)Cc3ccc(Cl)cc3)cn2)c1 28574471 SQEUSMIPOYRRLM-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 30986853 ASJVLBMXGNBBBI-WFASDCNBSA-N 328.378 4.126 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)c[nH]3)s2)cs1 31496576 ZTMKRDWIDMDAMP-UHFFFAOYSA-N 337.857 4.092 0 40 EIAB COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc(OC)c1C 32038461 QFGLUVMSIQQHEA-JTQLQIEISA-N 339.844 4.218 0 40 EIAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 32416176 OTBWSBUAAPVIJB-MSOLQXFVSA-N 342.483 4.148 0 40 EIAB CCOc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 32610321 PBPRZFYOVZIMSE-MRXNPFEDSA-N 334.419 4.367 0 40 EIAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1O 32796985 WKNZMBZXCXCGHL-RYUDHWBXSA-N 344.377 4.141 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1 36621142 XJDWDVZAVULJBR-LJQANCHMSA-N 329.465 4.083 0 40 EIAB c1ccc(SCc2ccc(CCCN3CCOCC3)cc2)cc1 38607235 QZRQUMGJFLNTQP-UHFFFAOYSA-N 327.493 4.244 0 40 EIAB biogenic CCSCCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 54012145 KDGVHBHHBUMIGS-UHFFFAOYSA-N 331.485 4.137 0 40 EIAB CCOC(=O)N(C)c1ccc(NC(=O)N(CC)[C@H](C)C(C)C)cc1 67679665 ISKDQJXIFPWLGW-CQSZACIVSA-N 335.448 4.178 0 40 EIAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCc2occc21 69484164 VXYQRHSSBOKFEN-CQSZACIVSA-N 342.420 4.041 0 40 EIAB O=C(CCc1ccco1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 69811913 NRTFKTBPPXYZJS-OAHLLOKOSA-N 338.407 4.146 0 40 EIAB CC(C)CCSCC(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 69876841 RAAVZNHAXRFRES-ZDUSSCGKSA-N 349.525 4.162 0 40 EIAB O=C(Nc1ccc(NC2CCOCC2)cc1)c1c(F)cccc1Cl 71185593 WUIRTTUCRLKDPY-UHFFFAOYSA-N 348.805 4.322 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(CO)c1 72120251 QYLHWTOKBAOYHK-HUUCEWRRSA-N 326.440 4.132 0 40 EIAB C[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 72291531 YDFARVQEWUXWFW-SWLSCSKDSA-N 342.826 4.211 0 40 EIAB Cc1ccc(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1 72414402 QUHXMBUJJRUYQG-UHFFFAOYSA-N 344.263 4.089 0 40 EIAB COc1ccc(Cl)cc1C(=O)N1CCC(c2cccs2)CC1 75157045 GRZDLEHULSGIQB-UHFFFAOYSA-N 335.856 4.430 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N3CCC[C@H](C(C)(C)C)CC3)c2)o1 81410057 KHAFACWZJMBJPU-KRWDZBQOSA-N 341.455 4.333 0 40 EIAB C[C@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)C1CC1 84636396 GMFRUSOZGOGTEK-HNNXBMFYSA-N 331.419 4.068 0 40 EIAB C[C@@](O)(c1ccc(OCCCOc2ccccc2)cc1)C(F)(F)F 84651591 DTGSFXNZRZTBRN-QGZVFWFLSA-N 340.341 4.304 0 40 EIAB CCCN1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 84755324 NJHRTWUTYAPLJT-UHFFFAOYSA-N 344.505 4.284 0 40 EIAB Cc1nc(-c2cccc(NCc3ccc([S@](C)=O)cc3)c2)oc1C 89558678 JWNLWZRCIHOWNR-XMMPIXPASA-N 340.448 4.308 0 40 EIAB Cc1c(-c2nnc3sc(Cc4ccccc4)nn23)oc2ccccc12 96194248 DHFCFIKOPJWVSI-UHFFFAOYSA-N 346.415 4.498 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 96459623 DHYVUIXZOJHWCJ-YJBOKZPZSA-N 334.460 4.063 0 40 EIAB COc1ccccc1[C@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 96479184 FFFKGHPLURJLJJ-LSDHHAIUSA-N 337.423 4.081 0 40 EIAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCC2 102182045 FSIXZPXLTWNCOO-YRGRVCCFSA-N 347.480 4.178 0 40 EIAB CC[C@H](NC(=O)N(C)CC1(c2ccccc2)CC1)c1c(C)noc1C 189559409 ZHXRDFGGBAONML-KRWDZBQOSA-N 341.455 4.116 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccccc1 219489872 WATZTEGJPNOCGD-YJBOKZPZSA-N 339.435 4.181 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 224634251 QINGWVIOCBDTOZ-JKSUJKDBSA-N 349.430 4.493 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2ccc(F)c(Cl)c2)cc1 224986792 JEUPHWGDODQMIQ-UHFFFAOYSA-N 345.848 4.026 0 40 EIAB CCCOC(=O)c1ccc(Nc2ccc(Br)cc2)c(N)c1 225424422 CSSJNMDETISKAG-UHFFFAOYSA-N 349.228 4.342 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 408680600 NZEFCCFRNAWQQS-ZWKOTPCHSA-N 325.452 4.208 0 40 EIAB Cc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409146852 VETSVHHPJMLECH-HNNXBMFYSA-N 331.824 4.460 0 40 EIAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2 524735765 XSPCYLAASOMSFX-AWEZNQCLSA-N 343.477 4.113 0 40 EIAB C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C(C)(C)C)nn1C 1116112337 RTUKTRCJZBBRPR-LBPRGKRZSA-N 344.434 4.008 0 40 EIAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 42619 UKPVVEINPACVSQ-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CC[C@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 110829 FKTMCTAFNMWWPV-QMMMGPOBSA-N 327.211 4.485 0 40 EIAB CCCn1cnc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O 148888 LWQPUODZVSNYGE-UHFFFAOYSA-N 328.437 4.242 0 40 EIAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 189404 BNIQOGYPNNXPPF-UHFFFAOYSA-N 335.432 4.180 0 40 EIAB CCOC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 414776 PLIFZXRBUFFSNN-UHFFFAOYSA-N 348.493 4.103 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)n1 492437 NYNFKLHUOPQBED-UHFFFAOYSA-N 332.359 4.008 0 40 EIAB COc1ccc(-c2ccc3cc(OC)c(OC)cc3c2O)cc1OC 1077849 MUFSYGNECXHUOS-UHFFFAOYSA-N 340.375 4.247 0 40 EIAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 2657979 SLIJEURHBVBMNI-QFIPXVFZSA-N 344.414 4.197 0 40 EIAB Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl 3548922 SLDSEGNKAYTZJJ-QGZVFWFLSA-N 345.826 4.459 0 40 EIAB CC(C)(C)c1cc(=O)[nH]c(SCc2cccc(C(F)(F)F)c2)n1 4024706 KRGUIQNGTIIVJJ-UHFFFAOYSA-N 342.386 4.379 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4cc(C)ccc4C)ncnc32)cc1 4322993 VQRRLWWQJFVAIQ-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB c1coc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)c1 4511813 MZGSEFQKHAWTOF-UHFFFAOYSA-N 348.387 4.178 0 40 EIAB CCSc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 4585788 ZAJXENBKKLFBOK-UHFFFAOYSA-N 343.383 4.240 0 40 EIAB CN(C)c1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 4896056 LHZDANJCAQQHMT-UHFFFAOYSA-N 341.411 4.268 0 40 EIAB COCCn1cc(NC(=O)Nc2ccc(F)cc2)c2ccccc21 5266480 FTOYALLTJAOFIB-UHFFFAOYSA-N 327.359 4.071 0 40 EIAB O=C1N(Cc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1(F)F 5578617 CDVRSMZGLWUNTM-AWEZNQCLSA-N 341.279 4.424 0 40 EIAB Cc1ccc(CN(C)C[C@H](O)COc2ccc3ccccc3c2)cc1 6083444 QXFGNIAWGPBCAC-NRFANRHFSA-N 335.447 4.020 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(OC(F)F)cc1 6626946 KCMQVJSGARYZPF-UHFFFAOYSA-N 335.354 4.242 0 40 EIAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2c1 6811311 XGXUKZNYJXYREK-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCN1C2=C(C(=O)CCC2)C(c2ccc(C)cc2)C2=C1CCCC2=O 6953034 BPBAAFDWJIPPOO-UHFFFAOYSA-N 335.447 4.428 0 40 EIAB C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 7108228 YLWSPVREOWBBIS-JTQLQIEISA-N 344.238 4.444 0 40 EIAB Brc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 7276966 JUIZNCSIAIJKCD-UHFFFAOYSA-N 330.185 4.111 0 40 EIAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(C)cc3C)o2)cc1 7942314 RHYRBLMTDSIGSB-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB COc1cccc(CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 8248891 OGIXHTKMSXJQIR-HNNXBMFYSA-N 349.430 4.277 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 8279008 XHGKVKXUQZNMGL-UHFFFAOYSA-N 334.375 4.339 0 40 EIAB COc1ccc2cc(CNC(=O)COc3c(C)cccc3C)ccc2c1 9936395 YRTBCHMTMJMKSS-UHFFFAOYSA-N 349.430 4.160 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)NCCC2=CCCCC2)CC1 11607508 NADNOHQAKPTLAH-UHFFFAOYSA-N 340.467 4.181 0 40 EIAB O=C(NC1CC1)c1cccnc1Sc1cccc(C(F)(F)F)c1 12752465 FNMPQNJEKBONJY-UHFFFAOYSA-N 338.354 4.144 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12929802 ONVDWICJBFETDT-MRXNPFEDSA-N 345.446 4.160 0 40 EIAB CSc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)O 12983534 CEMIGTYBAGKRDF-NSHDSACASA-N 347.461 4.226 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3)s2)cs1 12999550 OUHYHWJVZKHADL-UHFFFAOYSA-N 328.462 4.153 0 40 EIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 13617757 MNUIOKMATAXWBR-GZTJUZNOSA-N 339.416 4.240 0 40 EIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 13708461 PEUJWPIBTMBMNP-AWEZNQCLSA-N 349.386 4.017 0 40 EIAB Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)s1 14070869 XGLKMVIJUCSBKV-UHFFFAOYSA-N 344.509 4.397 0 40 EIAB CC(C)Nc1nnc(SCc2cc(-c3cccs3)on2)s1 14123558 JHIGPZZJHKPGQX-UHFFFAOYSA-N 338.483 4.367 0 40 EIAB COc1cc(C)c(NC(=O)CSCc2ccc(C)cc2)cc1OC 14139655 JZZUUVOCOIMWAG-UHFFFAOYSA-N 345.464 4.193 0 40 EIAB C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 14244466 DFTBOQNNKBDRTO-JTQLQIEISA-N 337.192 4.471 0 40 EIAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Cl)cc1 14911390 UDQZTJWLMHZVIB-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(F)cc(F)c1 16101178 OBZNOCMZJOEBMQ-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB C[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N1CCc2ccccc2C1 25410420 SQQDNUAZRAQYGL-CVEARBPZSA-N 348.446 4.057 0 40 EIAB Cc1cc(C(=O)OCc2coc(-c3ccccc3)n2)c(C)n1C1CC1 25635678 JHKGWSOKWOMXTO-UHFFFAOYSA-N 336.391 4.452 0 40 EIAB Cc1ccccc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1 28226276 ZURKAKHEAZQWLP-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB Fc1ccc(-c2nc(COc3ccccc3Br)no2)cc1 31671220 BTNSASVXIJIPBX-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 31915485 HDYCKMOYXVYQMW-AWEZNQCLSA-N 344.842 4.346 0 40 EIAB COc1cc(OC)c(NC(=O)c2cc(C)sc2C)cc1Cl 32739195 LFQOGFVTMRVZCK-UHFFFAOYSA-N 325.817 4.288 0 40 EIAB CCCCCCNC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 32777934 CKCNRGVQPIGVBN-UHFFFAOYSA-N 348.468 4.137 0 40 EIAB CCOc1cc(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)ccc1OC(F)F 33028585 JWBLZTUCQBUYHU-DYEKYZERSA-N 341.398 4.241 0 40 EIAB Cc1nc2ccc(NC(=O)N(C)CCOc3ccccc3)cc2s1 40103268 DGYMZWWFWOEALV-UHFFFAOYSA-N 341.436 4.147 0 40 EIAB CCc1nc(NC(=O)c2ccc(Br)cc2F)sc1C 40118927 SEBBAWUTJMGZOD-UHFFFAOYSA-N 343.221 4.168 0 40 EIAB COc1ccc2c(c1)[C@@H](C)N(C(=O)c1cccc(-n3cccc3)c1)CC2 40665702 WWSBBTKLOAEEJL-MRXNPFEDSA-N 346.430 4.245 0 40 EIAB O=C(c1cc(Cl)c(Br)c(Cl)c1)N1CCCCC1 59842932 MYUWOAVFMUKJFW-UHFFFAOYSA-N 337.044 4.382 0 40 EIAB CC(C)(C)CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 60389148 GMJZJVIDBZVCIP-UHFFFAOYSA-N 347.846 4.317 0 40 EIAB CCN(Cc1cccc(Cl)c1)CC1CCN(c2ccccn2)CC1 72305007 RDNTXFGNAJFQJN-UHFFFAOYSA-N 343.902 4.474 0 40 EIAB Cc1ccsc1CN1CCC[C@H]1c1cccc(-n2ccnc2C)n1 72355473 SESCTURNPVEFMW-KRWDZBQOSA-N 338.480 4.283 0 40 EIAB C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCc1nccn1C)C1CC1 86392636 MQJUOPHGIABXNA-HNNXBMFYSA-N 348.450 4.009 0 40 EIAB O=C(NCc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 96170897 UFHKHEWFDWHKTP-UHFFFAOYSA-N 328.265 4.046 0 40 EIAB Cc1nccn1-c1ccc([C@H](C)NCc2ncc(C(C)(C)C)o2)cc1 97033729 PLLZWPYEZQEIFV-AWEZNQCLSA-N 338.455 4.317 0 40 EIAB Cc1nnc(CN[C@H]2CCCC[C@@H]2c2ccccc2C(F)(F)F)o1 97110956 IPVUBBHYIFUVFG-HIFRSBDPSA-N 339.361 4.213 0 40 EIAB CNc1c(NC(=O)Nc2cccc(C)c2C)c(=O)oc2ccccc12 101209832 QOHBAFTXPPPXQS-UHFFFAOYSA-N 337.379 4.096 0 40 EIAB O[C@@H]1CCC[C@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 108373341 RTUWWBKEHHZFEW-JCURWCKSSA-N 338.289 4.041 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC(C)(C)C 113943276 IHSOFKFJODSRKU-CQSZACIVSA-N 337.529 4.399 0 40 EIAB COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 152090199 HAQMBNVRCXNUCK-MRXNPFEDSA-N 326.396 4.119 0 40 EIAB CCn1c(Cl)nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc21 222543441 FQDBGACMVJQXII-GFCCVEGCSA-N 327.815 4.201 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223094131 UGPCKCSFQWDFEX-NRFANRHFSA-N 337.463 4.384 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 223491055 MKAGWOAFBZFJST-SFHVURJKSA-N 325.452 4.485 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 223821764 APSPAMDQOZXOPW-KRWDZBQOSA-N 339.435 4.344 0 40 EIAB Cc1ccccc1O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225090206 KASQBGRUBAVGNO-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(C)cc1 225624518 HIAIWPBAQXEHNY-OAQYLSRUSA-N 337.463 4.348 0 40 EIAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1Cl 225793298 GGMLMTVPFXSISM-UHFFFAOYSA-N 337.810 4.282 0 40 EIAB CCOc1ccccc1NC(=S)NC1(c2ccncc2)CCCC1 225847915 MWFDVQCRUILVRC-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB Cc1noc(C2CC2)c1NC(=O)CC(C)(C)CC(=O)c1ccccc1 252489866 KDBIUDNIBDYBBY-UHFFFAOYSA-N 340.423 4.488 0 40 EIAB C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C(=O)O)c1 254746718 ZYKBTLRGDYIPLM-UHFFFAOYSA-N 336.416 4.333 0 40 EIAB O=C(O)/C(Cl)=C(/Cl)C=NNc1ccc(Cl)cc1Cl 257353608 SBSRULZLMIEKQJ-MDIOWOFGSA-N 327.982 4.165 0 40 EIAB O=C(c1ccc(OCc2ccccc2)cc1)C(F)(F)Br 382672350 ABBFEIRAJJVFGC-UHFFFAOYSA-N 341.151 4.436 0 40 EIAB O=C(NCC1CC(F)(F)C1)c1ccc(OCC2CCCCC2)cc1 622613635 VBXVDSWQYFXMTL-UHFFFAOYSA-N 337.410 4.421 0 40 EIAB CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 352873 MLKBODHRJMFJAA-KETLNSEPSA-N 334.419 4.305 0 40 EIAB COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 533449 DFWTZRRIVNVWEW-SJORKVTESA-N 340.814 4.086 0 40 EIAB CCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 1275651 KWHZVTGLIUQUJP-UHFFFAOYSA-N 348.381 4.304 0 40 EIAB CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 1615577 OWGJQNXIWMMDTH-LRSLUSHPSA-N 339.479 4.087 0 40 EIAB biogenic,in-vitro COc1ccc([C@H](CCNC(=O)[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 2148429 BNSRXZJARXDPQG-IEBWSBKVSA-N 347.499 4.146 0 40 EIAB biogenic COC(=O)c1ccc(CSc2ncnc3c2oc2ccccc23)o1 2467192 HLJBBSFRHXZAEB-UHFFFAOYSA-N 340.360 4.048 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1 2662789 URSIZLNPLLCZLN-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB CCOc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 4061316 MQBYBDXEXUDGET-UHFFFAOYSA-N 339.464 4.022 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](N)(=O)c1ccc(N(C)C)cc1 4063955 OOJHUUWPPUDIFV-LLSUNZGQSA-N 338.432 4.007 0 40 EIAB CC(=O)Nc1sc2c(c1CN1CCc3ccccc3C1)CCCC2 4276319 FKHLODKGZZZOGP-UHFFFAOYSA-N 340.492 4.144 0 40 EIAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)o1 4496584 GMFIWJGUCXKGTP-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB Clc1ccc(-c2nnc3sc(-c4cccnc4)nn23)c(Cl)c1 4784599 PPXDKZXLBLNHHC-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1c[nH]c2ccccc12 5308226 ATIKNJBEWKVNRW-LLVKDONJSA-N 339.416 4.146 0 40 EIAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2nccnc2c1 5421423 CARHRHXFUISDFD-UHFFFAOYSA-N 333.174 4.294 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 6275077 UBLLYHRNUSZSKK-UHFFFAOYSA-N 342.342 4.403 0 40 EIAB COc1ccccc1CNC(=O)c1cccc(OCc2ccccc2)c1 6288651 GEIRQNKJBODEPY-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB Cc1ccc2nc(CSCc3ccccc3Cl)cc(=O)n2c1 7145717 FWRGBWFDDYIDNE-UHFFFAOYSA-N 330.840 4.090 0 40 EIAB Cc1cccc(OCc2nc(-c3cccc(Br)c3)no2)c1 7781219 QMMQCJDJQDRKHP-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB COc1ccc(NC(C)=O)cc1Nc1ncnc2sc(C)c(C)c12 7984053 GDMNFNIQLQFILV-UHFFFAOYSA-N 342.424 4.019 0 40 EIAB CCOc1cc(CNCCc2ccc(OC)cc2)cc(Cl)c1OC 8253675 DBYSOJXGHWCBBQ-UHFFFAOYSA-N 349.858 4.088 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(Br)s1 8276401 FRRAYDLVDBPFGJ-XIIPPOOFSA-N 328.275 4.219 0 40 EIAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1 8312030 PXVSMQWCFFJOQB-AWEZNQCLSA-N 325.408 4.105 0 40 EIAB COc1ccc(-c2nnc3sc(-c4cc(C)cc(C)c4)nn23)cc1 8715076 YEFSWFABADVOIS-UHFFFAOYSA-N 336.420 4.145 0 40 EIAB CCCCOC(=O)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1 8903185 YRWYOSURHFTMNS-UHFFFAOYSA-N 334.441 4.238 0 40 EIAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccoc1 9218488 CRXLHNJCVSRNDF-UHFFFAOYSA-N 348.351 4.167 0 40 EIAB COc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 9422262 DQGZBJLHDCAGMG-NRFANRHFSA-N 344.414 4.462 0 40 EIAB CNc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 10157197 NOIOAGNLKNMVLA-NSHDSACASA-N 341.798 4.073 0 40 EIAB CC[C@@H]1c2ccc(C)n2CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C 12116946 VVZDKTFKSMTAMP-QGZVFWFLSA-N 348.450 4.102 0 40 EIAB COc1ccc(-n2c(SC(F)F)nnc2-c2ccccc2)cc1 12554816 KCERZHIKDOEQDK-UHFFFAOYSA-N 333.363 4.258 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 13011166 BNBSYIZJIAMVMI-KBPBESRZSA-N 346.858 4.432 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)cc(OC)c1 16705949 QIUDBTJDOZTDLO-BZSXCTJTSA-N 327.380 4.072 0 40 EIAB CCCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1 17067519 OSHAZGVXNTYRGY-UHFFFAOYSA-N 329.425 4.249 0 40 EIAB CC(C)c1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1 20734990 YQYWIOPWLBXXFT-UHFFFAOYSA-N 331.375 4.369 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC(c2nnc(C3CC3)s2)CC1 23140758 KUXISFDOPNLUGA-UHFFFAOYSA-N 347.871 4.089 0 40 EIAB Cc1nc2ccccc2nc1S[C@@H](C(=O)NC1CC1)c1ccccc1 29283244 JCUJLDYOMGXPLG-GOSISDBHSA-N 349.459 4.050 0 40 EIAB CCN(c1ccc(NC(=O)c2ccc(C)c(OC)c2)cc1)C(C)C 30675352 KCBZVESKGVRHMP-UHFFFAOYSA-N 326.440 4.491 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSc2ccccc2)c1 30856251 SBWMGZLVAPJFMS-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)CSC[C@H]1CC1(Cl)Cl 32772163 IGFGJRVPZFWPEH-NWDGAFQWSA-N 332.296 4.099 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1-n1cccc1 32777369 ZOXCYCDDBCPZFR-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB CC(=O)Nc1cccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 32848534 XWZOZNLUMUMKJD-CYBMUJFWSA-N 340.448 4.176 0 40 EIAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(Cl)cc1 45891075 BMUILMXWZKTQGV-UHFFFAOYSA-N 347.871 4.119 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccncc1 59790889 SYXXNEICYFNACR-UHFFFAOYSA-N 345.118 4.115 0 40 EIAB CCOc1cc(CNC(=O)c2ccc(C(C)C)cc2)ccc1OC 72331652 NZVJFODHQIGSQZ-UHFFFAOYSA-N 327.424 4.147 0 40 EIAB O=C(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1 80053745 TUPRRFYLAQHPMR-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cn1c(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc2ccccc21 84313912 LDEGUGRRKBTVRV-UHFFFAOYSA-N 349.434 4.022 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2ccccc2-c2ccncc2)n1 95437489 NNOJWWPCTRYCHF-UHFFFAOYSA-N 333.391 4.183 0 40 EIAB O=C(c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12)N1CCCC1 96154738 SAVJHBNGIGJUTN-UHFFFAOYSA-N 348.450 4.154 0 40 EIAB c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(OCc2cscn2)c1 97232283 CREWLHZUAQZBJT-KSZLIROESA-N 342.464 4.092 0 40 EIAB CC(=O)Nc1c(-c2cc(=O)oc3cc(C)ccc23)oc2ccccc12 100650773 WBJUGANEXONTGI-UHFFFAOYSA-N 333.343 4.473 0 40 EIAB biogenic Cc1cccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c1 101275219 CMZDDZSCDNXEAZ-CQSZACIVSA-N 349.217 4.046 0 40 EIAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)cc1 102782970 NPIJXUGEZHABCE-MFHWUAJNSA-N 345.489 4.097 0 40 EIAB Cc1cc(Cl)ncc1NC(=O)c1cnc(-c2ccccc2)s1 135936882 ZDCXVMBENCFAFG-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1cc(=O)c(C(=O)Nc2cccc(CSC3CCCC3)c2)c[nH]1 175169672 YJSOSMVXKMALRU-UHFFFAOYSA-N 342.464 4.111 0 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O=C(Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 103532 WFFDHLJEMLPMID-UHFFFAOYSA-N 329.705 4.420 0 40 EIAB CN1CCN(c2c3c(nc4ccccc24)[C@]2(C)CC[C@H]3C2(C)C)CC1 214969 GRIFRVOZXAODGO-ZHRRBRCNSA-N 335.495 4.162 0 40 EIAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1 511959 FYWRYPAXASOPOP-UHFFFAOYSA-N 325.220 4.120 0 40 EIAB O=S(=O)(Nc1ccccc1Cl)c1cc(Cl)ccc1Cl 514271 MMFWCOCUIXZOAK-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1 1016148 MEWSLKGIXJUDJV-UHFFFAOYSA-N 334.828 4.029 0 40 EIAB COC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl 1353648 ZIVBCXJXVAHYIJ-UHFFFAOYSA-N 337.206 4.122 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)o2)cc1 1612458 KHEUBTHDBWJLPA-UHFFFAOYSA-N 328.759 4.342 0 40 EIAB Nc1ccc2c(c1)Cc1cc(NCc3ccc4c(c3)OCO4)ccc1-2 1721143 ZMXJMZWHEDRBAS-UHFFFAOYSA-N 330.387 4.181 0 40 EIAB CC(C)OC(=O)N[C@@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl 1893157 PICJRVTYPNGTPI-SNVBAGLBSA-N 343.613 4.069 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)cc1 2398983 YGCKLBQDGJGOFI-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CCOc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 2492919 SPSVLKFEDWDEHI-PIGZYNQJSA-N 342.464 4.126 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2cc(C)ccc2C)c1 3478883 VXFSOJPWRRIKHX-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc2ccccc2c1 3507372 QQKNJKHLYGRHLS-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB COc1ccc(-n2cnc3cc(NC(=O)c4cccs4)ccc32)cc1 4384594 WISLUYLMQRHQMB-UHFFFAOYSA-N 349.415 4.348 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2cccc(SC)c2)cc1C 4517512 ALCXIPUCSTUFNI-UHFFFAOYSA-N 335.450 4.207 0 40 EIAB O=C(CCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 5210119 KQWUCJUQZCCNFV-UHFFFAOYSA-N 341.411 4.366 0 40 EIAB C[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc2ccccc2c1 5288126 OBVDQURZBILNQC-ZDUSSCGKSA-N 344.505 4.281 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1c(F)c(F)c(F)c(F)c1F 5705098 UNZDPEXTGSZHMP-UHFFFAOYSA-N 344.264 4.244 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccsc1 7926902 LWUIOXHNPCLDMI-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB COc1cc(C(=O)OCc2cccc(Cl)c2)ccc1OC(F)F 7973319 ARDCGXNGYASMEP-UHFFFAOYSA-N 342.725 4.307 0 40 EIAB CC(=O)c1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 8536139 RJZLMFRURWYBDZ-UHFFFAOYSA-N 342.342 4.112 0 40 EIAB COc1cc(OC)c2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8717258 HXOIINJOYIRQJR-UHFFFAOYSA-N 344.455 4.031 0 40 EIAB Fc1cccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)c1 10311593 UHWIVXBFZZRRMD-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2F)cc1OC 11563049 HHHGPMHRYKJPGQ-MRXNPFEDSA-N 344.386 4.212 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1cc2ccccc2c(=O)s1 12030426 JUXIZRBLOOTHHT-UHFFFAOYSA-N 338.413 4.124 0 40 EIAB CC[C@H](NC(=O)c1c(-c2ccncc2)noc1C)c1ccc(F)cc1 12199722 BGPSTMQLZINSNE-INIZCTEOSA-N 339.370 4.065 0 40 EIAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 12539050 WVHWTUJGRWRZPO-GFCCVEGCSA-N 327.815 4.026 0 40 EIAB O=C(CCC1CCCCC1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12550103 GHWPBUVQHNCBDI-SFHVURJKSA-N 325.456 4.170 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12550186 ZGLJFYWBJCSVTF-QGZVFWFLSA-N 337.467 4.424 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc2c(c1)OCCO2 12999426 CCOQFLZETTUJGO-UHFFFAOYSA-N 339.435 4.461 0 40 EIAB CC(C)(C)c1cc(NC(=O)c2ccccc2)n(Cc2ccccc2)n1 13020588 QASDOZVQURWPLM-UHFFFAOYSA-N 333.435 4.481 0 40 EIAB CC(=O)Nc1ccccc1OCc1ccc(F)cc1Br 14136356 VYBXXELIFRKMBP-UHFFFAOYSA-N 338.176 4.126 0 40 EIAB O=S(=O)(Nc1ccccc1SCC(F)(F)F)c1ccccc1 14849611 UWICTHRGSGRQJA-UHFFFAOYSA-N 347.383 4.142 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(C)nn(C)c2n1 14898361 CATHWLPWCGOTOT-UHFFFAOYSA-N 349.221 4.144 0 40 EIAB Cc1ccc(NC(=O)c2ccc(N)cc2Cl)c(Br)c1 19396706 BFHSVQXDGYEGCR-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CCC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2C)cc1 19736710 CNJFMQXZESMEET-UHFFFAOYSA-N 326.440 4.282 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 20015975 NGWXAXGRDVBJHW-AWEZNQCLSA-N 339.435 4.074 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2F)cc1 20029706 ONKUEBRVVPIATK-SECBINFHSA-N 325.355 4.317 0 40 EIAB S=C1NCN(C2CCCCC2)CN1c1cc(Cl)ccc1Cl 20191550 YAHXQECMALAGRS-UHFFFAOYSA-N 344.311 4.238 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1Nc1ccccc1C 22072158 NHOAZSHPWRZRNR-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB COc1ccc(NC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 23233630 UGGJYEXJUSBFES-UHFFFAOYSA-N 342.439 4.193 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1C 24613959 FQVUHUNSYHIXHE-UHFFFAOYSA-N 345.464 4.208 0 40 EIAB C[C@H](NC(=O)NCc1ccccc1)c1cccc(Br)c1 24688640 OMAMUOIYHAWBRX-LBPRGKRZSA-N 333.229 4.010 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccc(O)cc1 26580454 OYHWXOIOBQFQCH-VAWYXSNFSA-N 346.411 4.323 0 40 EIAB CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)C1CCCC1 30861042 GTSNYGWEHMZGFX-UHFFFAOYSA-N 348.490 4.260 0 40 EIAB O=C(c1cccnc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 32074995 LPMNJKYKEXCYGU-UHFFFAOYSA-N 325.799 4.021 0 40 EIAB O=S(=O)(Nc1ccccc1O)c1ccc(C2CCCCC2)cc1 32602004 OTHYZYZLJXMKBC-UHFFFAOYSA-N 331.437 4.241 0 40 EIAB Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(CO)O2 38983920 LBBGJYNVSHBNJF-NRFANRHFSA-N 326.436 4.267 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)NCCCOCc1ccccc1 40069030 DXXFRGTUYXKKCA-UHFFFAOYSA-N 346.858 4.088 0 40 EIAB COc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl 40526310 BFHZMVBUDINNHI-SECBINFHSA-N 336.741 4.155 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 42959971 UXGCFCGUDFTRPG-OLZOCXBDSA-N 327.350 4.189 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)c2cc3c(F)cccc3s2)cc1 58357429 KHPLVVXCLAVHLU-UHFFFAOYSA-N 342.395 4.275 0 40 EIAB COCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1C 62246117 HJBBVTGQGKPSQE-UHFFFAOYSA-N 326.440 4.456 0 40 EIAB O=[S@](C/C=C/c1ccccc1)Cc1coc(-c2cccs2)n1 69530741 ZQNYXRHXXHNGHT-PABBZOGXSA-N 329.446 4.365 0 40 EIAB O=C(CC1CCCCC1)Nc1ccc(-n2cnc3ccccc32)nc1 71862457 MPIPFYKQJVHBAS-UHFFFAOYSA-N 334.423 4.329 0 40 EIAB CC[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1F 71915831 VPIJVFLGGYUEQJ-KRWDZBQOSA-N 331.366 4.058 0 40 EIAB COc1ccc(CNC(=O)c2cc(OC(C)C)c3ccoc3c2)cc1 72240208 YOSVVQKIDIHKDO-UHFFFAOYSA-N 339.391 4.159 0 40 EIAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc4[nH]ccc34)c12 72405664 OYGRBMGYYLVOCM-UHFFFAOYSA-N 334.379 4.388 0 40 EIAB O=C([C@H](N[C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 89825760 AMMVVOCZZCQNTQ-LEWJYISDSA-N 334.463 4.017 0 40 EIAB C[C@@H](NCCc1ccccc1Br)c1ccc(Cl)nc1 89905005 YIDSOLIPMWGKJL-LLVKDONJSA-N 339.664 4.391 0 40 EIAB O=C(c1ccccc1F)N(CCc1cccs1)Cc1ccoc1 90612290 GEJINBLGXUEPMX-UHFFFAOYSA-N 329.396 4.365 0 40 EIAB Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)on1 91684410 HYDZMBOUWKCKQT-JSGCOSHPSA-N 338.329 4.068 0 40 EIAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1ccccc1 95116834 PAVFRZGBCMYLBL-SFHVURJKSA-N 334.350 4.410 0 40 EIAB c1ccc(-c2noc([C@H](NCc3ccco3)c3ccccc3)n2)cc1 95417546 KJVPGXTVCPHGBC-GOSISDBHSA-N 331.375 4.209 0 40 EIAB Fc1ccc(Br)cc1CSC1=N[C@H]2CCCC[C@@H]2N1 95956237 KQYYUANLRDPNOY-STQMWFEESA-N 343.265 4.092 0 40 EIAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C)cc1 96037251 OBUDSYCJFZKFJW-UHFFFAOYSA-N 331.419 4.485 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccccc1F 96402279 ZDPFMJGASHZKJV-LQWHRVPQSA-N 346.405 4.230 0 40 EIAB O=C1CCc2cc(NCc3cccc(-c4ccncc4)c3)ccc2N1 96482733 ITYRRVLZLFBMDN-UHFFFAOYSA-N 329.403 4.245 0 40 EIAB COc1ccnc(CSCc2csc(-c3ccccn3)n2)c1 97094902 NSYZLODHKXISER-UHFFFAOYSA-N 329.450 4.042 0 40 EIAB OC1=C2C(=NC(Nc3nc4ccccc4o3)=NC23CCCC3)CCC1 104156275 BNWJBNLQZQLJEY-UHFFFAOYSA-N 336.395 4.359 0 40 EIAB CCCO[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 108233670 PHGFYWKSEPKBGR-INIZCTEOSA-N 346.858 4.310 0 40 EIAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2nc3ccccc3s2)C1 108358169 NVFGKXYPOQYVPS-PBPBQWCVSA-N 336.526 4.027 0 40 EIAB CC(C)(C)C#C/C=C/CN(CC(=O)O)Cc1cccc2ccccc12 140471362 ZTMIKPNGXUHMNH-XBXARRHUSA-N 335.447 4.332 0 40 EIAB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(N)cc3s2)c1 167161751 SDQXJDRVCHTHRK-UHFFFAOYSA-N 343.477 4.226 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)n1 170564467 ITPKRGGNDKUOJN-MRXNPFEDSA-N 346.434 4.328 0 40 EIAB Brc1cc(C23CC4CC(CC(C4)C2)C3)cc2[nH]nnc12 226305348 NPQGLOJXBLHBIH-UHFFFAOYSA-N 332.245 4.188 0 40 EIAB CCc1ccc(C(=O)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226356541 CVDBBHHRHZYSNS-UHFFFAOYSA-N 335.359 4.460 0 40 EIAB CC(C)c1noc([C@H](C)N[C@@H](C[C@H]2CCOC2)c2ccccc2)n1 248714089 DKSRRGLLRSZUNQ-UXLLHSPISA-N 329.444 4.012 0 40 EIAB CO[C@@H](CNC(=O)/C=C/c1cccs1)c1cc2ccccc2o1 253473497 VPJWMKLVYYYYQC-IJDCCNJMSA-N 327.405 4.011 0 40 EIAB Oc1cc(CSc2nc3ccccc3o2)nc2nc3ccccc3n12 253496333 IJVARDSSAAULCO-UHFFFAOYSA-N 348.387 4.022 0 40 EIAB CN(C[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 253531674 RSPXLQCWKIXQLM-BOFXEDATSA-N 337.548 4.233 0 40 EIAB S=C1N[C@@H]2/C(=C\c3ccccc3)CCC[C@H]2[C@H](c2ccccc2)N1 255961400 GKAOLMKVJJNZGU-LGIUGZTISA-N 334.488 4.458 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC(c2csc3nccn23)CC1 257265999 MBEPADZSWVBVNJ-UHFFFAOYSA-N 345.855 4.069 0 40 EIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(Cl)cc1 409376263 WMXMVXOKOOFBMF-AWEZNQCLSA-N 334.828 4.108 0 40 EIAB Clc1ccc(-c2ccnc3nc(-c4ccco4)nn23)c(Cl)c1 604418951 VCFBQIZKIMCCLF-UHFFFAOYSA-N 331.162 4.358 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)Nc1ccccc1F 1775967329 MOXPBNVBCIPUOY-CYBMUJFWSA-N 346.383 4.002 0 40 EIAB CO[C@@H](CNc1nc2cnccc2s1)c1ccc(Cl)s1 1775971946 ZNSDMHGOGYOEIW-VIFPVBQESA-N 325.846 4.206 0 40 EIAB O=C(Cc1ccccc1Br)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008304 CHKRNEKOOICEEX-HOTGVXAUSA-N 346.268 4.235 0 40 EIAB O[C@@H](CNc1ccccc1Cl)COc1ccc(Cl)cc1Cl 1569055 NTOMUOVBXCNTBX-NSHDSACASA-N 346.641 4.499 0 40 EIAB CCCOc1ccc(-c2csc3ncn(CCC)c(=O)c23)cc1 1911980 OSLDSGMAEKXCSB-UHFFFAOYSA-N 328.437 4.324 0 40 EIAB C[P@@](=O)(Nc1ccc(Cl)cc1)c1nc2c(s1)CCCC2 3178809 RPZTVXDRMRTLQL-IBGZPJMESA-N 326.789 4.321 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1c(Cl)nc2sccn12 3235923 SNPSOLYTNSOMIR-UHFFFAOYSA-N 333.844 4.426 0 40 EIAB Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1C1CC1 3499143 SUBDVNLVAMZICC-UHFFFAOYSA-N 343.448 4.186 0 40 EIAB C1CCN(CCCSCSCCCN2CCCCC2)CC1 4976449 NHGJGANKDSUVPZ-UHFFFAOYSA-N 330.607 4.162 0 40 EIAB Cc1ccc(C)c(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 5319181 GKPODHKSZYDZPU-ZDUSSCGKSA-N 338.476 4.248 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccc3C)n2)cc1 5560999 HLTWLSWNVJDYSK-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB O=c1c(-c2cccs2)nc2ccccc2n1CCc1ccccc1 6600469 UUTHQSFUJWGIDD-UHFFFAOYSA-N 332.428 4.368 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 6919103 BZQYXIGVSOYRQF-UHFFFAOYSA-N 339.420 4.245 0 40 EIAB CSc1ccc(COc2ncnc3sc4c(c23)CCC4)cc1 7007529 VANUNFHJPXSFEC-UHFFFAOYSA-N 328.462 4.481 0 40 EIAB O=C(O)c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 7093188 BSNHEYIIRLUXNP-NVGCLXPQSA-N 336.347 4.120 0 40 EIAB CC(=O)c1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 7209022 VMWZYAGRODNEAX-UHFFFAOYSA-N 327.449 4.378 0 40 EIAB O=c1[nH]c(/C=C/c2cccs2)nc2sc3c(c12)CCCCC3 7488468 KPGYJEMQZJNDQJ-CMDGGOBGSA-N 328.462 4.485 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 7794114 WKXOBTYCJDRZDQ-UHFFFAOYSA-N 326.293 4.163 0 40 EIAB O=C(NCc1nc(-c2c[nH]c3ccccc23)cs1)c1ccccc1 9337608 OJBNHHGTBAFQMX-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB O=C(CCCc1nc2ccccc2s1)NCCc1cccc(F)c1 10101442 PIZOHYQMZQZZKO-UHFFFAOYSA-N 342.439 4.117 0 40 EIAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)cc1Cl 10310983 RNSUTFSTMOQXNR-SFHVURJKSA-N 328.843 4.424 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)cc1C 10710947 ISJITPMBOBEHHH-UHFFFAOYSA-N 343.477 4.135 0 40 EIAB CCC[C@H](NC(=O)[C@H](C)Sc1nccn1CC)c1ccccc1 11605688 BVWUNRLHANITHJ-HOCLYGCPSA-N 331.485 4.041 0 40 EIAB CC(C)c1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12873400 JTDTUMBFVPETHW-OAQYLSRUSA-N 336.479 4.262 0 40 EIAB O=C(NC1CC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 12924679 TVNMGOYEUHPSEM-MRXNPFEDSA-N 336.218 4.392 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC(Cc2ccccc2)CC1 12976789 BFMPHYYWOGNWTB-ZHACJKMWSA-N 346.430 4.322 0 40 EIAB Cc1ccc2cc(CNCCc3ccc(Cl)cc3)c(=O)[nH]c2c1C 13566548 OLIVTMNTDTXLDN-UHFFFAOYSA-N 340.854 4.131 0 40 EIAB Cc1ccccc1C1=N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)O1 13927546 DUBOBXZVOSUROP-GDNBJRDFSA-N 331.293 4.358 0 40 EIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1cccnc1 15826726 HBCGCYWTEUJWGI-UHFFFAOYSA-N 338.794 4.420 0 40 EIAB COc1ccc(N(C(=S)/C=C/N(C)C)c2ccc(OC)cc2)cc1 16163019 BDTXOAUVWGJRBY-BUHFOSPRSA-N 342.464 4.245 0 40 EIAB Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccc2ccccc2c1 18022815 FIJQGLSHDKDBEN-UHFFFAOYSA-N 328.371 4.271 0 40 EIAB Cc1cccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 22636842 GGTRCSZGWNWNFT-UHFFFAOYSA-N 326.783 4.233 0 40 EIAB O=C(/C=C/c1ccccc1Br)Nc1nc(C2CC2)cs1 26050942 YKZYFAFGCCLOKN-BQYQJAHWSA-N 349.253 4.435 0 40 EIAB CCCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623255 YPTUZZPRIQKKBA-UHFFFAOYSA-N 325.343 4.281 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2cccs2)cs1 32674688 UYONUGXCLXGMFS-UHFFFAOYSA-N 333.438 4.048 0 40 EIAB COc1cc(OC)c(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Cl 32760085 JZBJQJPHCGWFSC-UHFFFAOYSA-N 348.761 4.230 0 40 EIAB O=C(NCCSc1ccc(Cl)cc1)N[C@H]1CCc2ccccc21 32843824 NUHTYXXYCUSCMR-KRWDZBQOSA-N 346.883 4.419 0 40 EIAB Cc1oc(-c2ccccc2)nc1CN(C)Cc1ccc2c(c1)OCO2 32901355 VSRVDFXVIQUAAY-UHFFFAOYSA-N 336.391 4.011 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1-n1cccn1 32912890 UAKFYJPSXUGVHV-UHFFFAOYSA-N 343.386 4.286 0 40 EIAB FC(F)c1cc(-c2ccc(Cl)cc2)nc(NC[C@H]2CCCO2)n1 36614234 WTPCEXLMZAQPFH-GFCCVEGCSA-N 339.773 4.326 0 40 EIAB COc1cc(OC)c(OC)cc1CN[C@H](c1ccccc1)C(C)C 39985620 MFQMCKPXPAMARV-FQEVSTJZSA-N 329.440 4.199 0 40 EIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 41095105 NDCSYHDBIGWCFN-CQSZACIVSA-N 347.480 4.032 0 40 EIAB O=C(Nc1ccccc1)N1CCC(Oc2cccc(Cl)c2)CC1 41348946 GOZOAROQZAOCLR-UHFFFAOYSA-N 330.815 4.415 0 40 EIAB CC(C)(C)c1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)no1 45810714 FZAQRWZOTGSNKY-CYBMUJFWSA-N 342.468 4.314 0 40 EIAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1occc1-c1ccccc1 48265474 SPAUBSLOPUZWQW-QAPCUYQASA-N 327.424 4.272 0 40 EIAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc(OCc2ccccc2)c1 49545854 LLBPWXAMGDTYQY-QGZVFWFLSA-N 333.391 4.123 0 40 EIAB Cc1cc([C@@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)on1 52009110 ZUDBLJSQNKXAQW-INIZCTEOSA-N 327.359 4.114 0 40 EIAB Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1 58357399 BQXOQCUWYRFXAZ-CRAIPNDOSA-N 327.424 4.139 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccc(OC(C)C)c(OC)c1)CC(O)=N2 61719176 AELPXZYINXKRFJ-LLVKDONJSA-N 347.440 4.104 0 40 EIAB O=C(CCc1ccccc1F)N[C@H](c1ccccc1)c1nccs1 65537781 YKJUIGJMPLWCBB-GOSISDBHSA-N 340.423 4.121 0 40 EIAB Cc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccs1 67036365 WFFPJXYPDPKJJV-UHFFFAOYSA-N 343.477 4.179 0 40 EIAB O[C@H](CSCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 69738909 DCSPRBXXJJGCHS-OAHLLOKOSA-N 346.839 4.357 0 40 EIAB Cc1cc(N(C)Cc2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223392 KGRQSYHTSQSIRO-UHFFFAOYSA-N 341.455 4.051 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)CCOc2ccccc2F)n1 72273732 GBQSTICEFVCLHZ-OAHLLOKOSA-N 348.443 4.113 0 40 EIAB Cc1csc(Sc2ccc(NC(=O)Cc3cc(C)on3)cc2)n1 74224532 UPQLHYKJUANDMI-UHFFFAOYSA-N 345.449 4.080 0 40 EIAB CC(C)(C)c1csc(NC(=O)C[C@@H]2OCCc3ccsc32)n1 84284762 MHDARBNQWJDYIM-NSHDSACASA-N 336.482 4.145 0 40 EIAB Cc1ccccc1C(=O)NCc1ccc([C@H](O)c2cccs2)s1 85474530 USRGNWYQJJCNLC-QGZVFWFLSA-N 343.473 4.130 0 40 EIAB Cc1nc(Cl)ccc1CC(=O)Nc1ccc(OC(F)(F)F)cc1 89536908 AIUFZIHYSHZWLQ-UHFFFAOYSA-N 344.720 4.123 0 40 EIAB CC(C)Cc1nnc([C@H](C)Sc2ncccc2Br)o1 96411953 WKSWVIIIBSDGKM-VIFPVBQESA-N 342.262 4.279 0 40 EIAB O=C(Nc1ccc2sc(C(=O)O)cc2c1)c1ccc2ncccc2c1 97035857 AOUGLMUBMWVDCK-UHFFFAOYSA-N 348.383 4.400 0 40 EIAB O=C1S/C(=C\Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 100401447 IJFXARQQNGZHAJ-GDNBJRDFSA-N 344.823 4.489 0 40 EIAB Cn1nc(CN(C(=O)/C=C/c2ccccc2)C2CCCC2)cc1C1CC1 217898988 UWJSKJPDZXOHGF-SDNWHVSQSA-N 349.478 4.282 0 40 EIAB Cc1ccc(CC(=O)NCCSCc2ccccc2F)cc1C 218805141 OYBUSAIZWVHXGT-UHFFFAOYSA-N 331.456 4.035 0 40 EIAB CSc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558452 SCIYBHMHFWTOKF-ZLIFDBKOSA-N 341.505 4.393 0 40 EIAB CCCCc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 222649864 NGKGHAHZCZYXSP-UHFFFAOYSA-N 325.408 4.329 0 40 EIAB CC(C)c1ccccc1OCC(=O)NCCSCc1ccccc1 222804783 QCQHYPFBVJSBBU-UHFFFAOYSA-N 343.492 4.238 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2ccc(C)c(C)c2)c1 224617220 LCPYQZGEAJWZNX-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB CCCc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 225194796 GAMOXDUBGMPPBZ-UHFFFAOYSA-N 335.806 4.240 0 40 EIAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(OC)cc1 225618921 RXLHLUKGQYNHJM-LJQANCHMSA-N 341.451 4.212 0 40 EIAB CC(C)CSc1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 225636141 MELZUMIWRBSSJC-UHFFFAOYSA-N 347.509 4.417 0 40 EIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 245241123 XNJOZXWLEFEFEX-LBVZWDRHSA-N 334.500 4.133 0 40 EIAB c1ccc2c(c1)CN(Cc1ccoc1)C[C@H]2c1nccn1CC1CC1 306129734 ILHAYNHOHGJTTD-HXUWFJFHSA-N 333.435 4.034 0 40 EIAB Cn1cc(-c2ncc(/C=C(\Cl)c3nc4ccccc4o3)s2)cn1 585140094 WTLYPUOLSSSBNE-SDQBBNPISA-N 342.811 4.422 0 40 EIAB Cc1cc(O)nc2cc(NC(=O)CCCCCn3cccc3)ccc12 604418888 RNJAPTYOANSULL-UHFFFAOYSA-N 337.423 4.249 0 40 EIAB CC(C)(O)COc1ccc(Nc2ncnc3cc(Cl)ccc23)cc1 605398532 PKWMWWJVLFHVGD-UHFFFAOYSA-N 343.814 4.177 0 40 EIAB CN(C)C1=NCCCCCCOc2ccccc2Oc2ncccc21 1615123933 RYLUJJVGNSIALD-UHFFFAOYSA-N 339.439 4.135 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N1CC2(CC(c3ccccc3)C2)C1 1889276399 SQWGQTZSWGHWLM-UHFFFAOYSA-N 330.431 4.117 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)c(C)c1 74330 KLOVPEDBTRFGHE-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB CC(C)CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 189460 RZOOHEVLHLGMIE-UHFFFAOYSA-N 335.860 4.257 0 40 EIAB CCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CC 333850 OCHXIODXGOFKQR-UHFFFAOYSA-N 327.472 4.030 0 40 EIAB biogenic CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1 498709 FARLQTQYTRDJER-UHFFFAOYSA-N 344.374 4.259 0 40 EIAB O=C(Cc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1 1622410 LCLFTUZRQKZADK-UHFFFAOYSA-N 336.338 4.496 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 2615918 ZZAZLVFRPSQVOM-UHFFFAOYSA-N 344.414 4.493 0 40 EIAB c1cncc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1 3451534 AHUINCDXGAORAX-UHFFFAOYSA-N 342.358 4.164 0 40 EIAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)o2)cc1 3452089 KNBVAANRMVEANQ-UHFFFAOYSA-N 349.342 4.130 0 40 EIAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 4457220 VYIUKFSEODDIQN-LFIBNONCSA-N 326.421 4.150 0 40 EIAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C 5043173 YZZLWRCPCIMEHR-VTYCOLDWSA-N 325.537 4.088 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c(C)c1 5518200 UBBBLTCGHORQON-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1Br 5955721 CQGFBFQVJSEHDB-UHFFFAOYSA-N 347.164 4.362 0 40 EIAB biogenic Cc1cc(C)cc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1 6063953 ZIZXYBQTNVHAOW-UHFFFAOYSA-N 341.451 4.002 0 40 EIAB CC[C@@H](C)c1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)cc1 6508236 UQYBJOLHBVSINB-CQSZACIVSA-N 325.408 4.420 0 40 EIAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccncc1 6934999 BWCWYBLPGSKELZ-QGZVFWFLSA-N 347.443 4.186 0 40 EIAB O=C(OCc1ccc(-n2cccn2)cc1)C12CC3CC(CC(C3)C1)C2 7254486 BDJKRRLEIYPAHW-UHFFFAOYSA-N 336.435 4.132 0 40 EIAB COc1ccc2cc(CN(C)CC(=O)Nc3ccc(C)cc3)ccc2c1 7926569 WSNYYPQPGTYMFO-UHFFFAOYSA-N 348.446 4.227 0 40 EIAB O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccccc2)n1 8316441 BFDWWFBIYOXXIU-UHFFFAOYSA-N 336.338 4.039 0 40 EIAB CC(C)Nc1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)s1 8428588 CHHDRSCLVFUGPT-VIFPVBQESA-N 341.889 4.375 0 40 EIAB Cc1cccc(-c2cc(C(=O)Nc3cccc4ccccc34)n[nH]2)c1O 8973544 ODSAXXUADLFSFR-UHFFFAOYSA-N 343.386 4.496 0 40 EIAB O=c1[nH]c(/C=C/c2cccnc2)nc2scc(-c3ccccc3)c12 9379395 SQKOBVOQGWWWGB-CMDGGOBGSA-N 331.400 4.217 0 40 EIAB Fc1ccc(CSc2nnc3n2CCN3c2ccc(F)cc2)cc1 9574091 AXFWECNKBOHOTD-UHFFFAOYSA-N 344.390 4.000 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1 11914564 FAVNFWQBYJKNLF-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB Fc1ccccc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 12322633 GJKKFKKKFZLHPQ-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB COc1ccc2[nH]cc([C@@H]3CCN(Cc4ccccc4OC)C3)c2c1 12329481 XMFLCWNSNJNDHV-OAHLLOKOSA-N 336.435 4.175 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 12971791 JFDOQFIEQKBSPJ-IBGZPJMESA-N 343.430 4.167 0 40 EIAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 14009192 RATPIVPEGDOPRM-UHFFFAOYSA-N 338.451 4.375 0 40 EIAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 14357683 YZNGPPYEBGBKCO-UHFFFAOYSA-N 345.851 4.314 0 40 EIAB COc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1C 15018226 QUCRYDKGFZRQTE-AWEZNQCLSA-N 346.224 4.045 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 15019158 VCFBHVVMRBZGST-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB CCNc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 15110115 YCYKRVDYJDZYPK-MRVPVSSYSA-N 342.251 4.356 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1C 16644573 DCULPKOUYAFCLZ-UHFFFAOYSA-N 346.833 4.058 0 40 EIAB Fc1ccc(CNc2nc(-c3ccncc3)cc3ncccc23)cc1 19345369 YPTUTXIRHKOGRG-UHFFFAOYSA-N 330.366 4.443 0 40 EIAB CCc1ccccc1NCc1cc(Br)c(O)c(OC)c1 19956349 KDQDVBNNLKARFG-UHFFFAOYSA-N 336.229 4.338 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(C)=O)c1 20039729 FPCZSJVRMNCRKG-KRWDZBQOSA-N 331.799 4.339 0 40 EIAB CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(Cl)ccc21 22234830 NDEWVDLGZOINNE-UHFFFAOYSA-N 346.858 4.127 0 40 EIAB Cc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 23074451 HGDXHIILYYVHAZ-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1nc(NC(=O)c2ccc(O)c(Cl)c2)sc1-c1ccccn1 23498229 XAWCBUAKPAKZAX-UHFFFAOYSA-N 345.811 4.125 0 40 EIAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccncc1 27403816 RJBMWWGUHWNSAQ-MRXNPFEDSA-N 332.403 4.152 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC[C@H](c1ccccc1)S3 27532952 AFBHSEYHUFXCHE-CYBMUJFWSA-N 328.462 4.312 0 40 EIAB COc1cccc(C(=O)N(Cc2ccccc2F)c2ccccn2)c1 27992409 NOIOCKSKPOKKKG-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)Nc1nc(-c2ccc[nH]2)cs1 29351280 NNFQORPCKKJMPR-LLVKDONJSA-N 329.450 4.258 0 40 EIAB COc1ccc(Cl)cc1CC(=O)Nc1cccc2ncccc12 29762099 NSBOXGWCFKLHGS-UHFFFAOYSA-N 326.783 4.078 0 40 EIAB CCc1ccc(CC)c(C(=O)COc2ccc(-c3nnco3)cc2)c1 35828374 VVMLPPRQZUIJTE-UHFFFAOYSA-N 336.391 4.123 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H](c2ccccc2)C1 36753049 UVVLIXXGYOVKHC-CQSZACIVSA-N 334.341 4.039 0 40 EIAB Brc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)cc1 39367381 HYVRJGYFYWLMIB-KRWDZBQOSA-N 332.241 4.102 0 40 EIAB COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)c2ccccc2)c1 40120577 YZTWVEZHPJBIIK-LLVKDONJSA-N 336.338 4.179 0 40 EIAB CCOc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1O 41005088 ONPVCOBJUMYAPJ-UHFFFAOYSA-N 333.185 4.097 0 40 EIAB COc1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1O 42275282 UEUVTFOFBANPQW-NSHDSACASA-N 336.229 4.014 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2OC)cc1 44902356 ZDVYNDMJSUNRIT-GOSISDBHSA-N 327.424 4.221 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1 44935904 LZZHYFKUJMPRAY-HXUWFJFHSA-N 333.435 4.121 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccccc2)c1 56693287 KQYRVLZORNXAOQ-NSHDSACASA-N 331.803 4.181 0 40 EIAB Nc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1 57327628 JFZRIWQWVRQZAP-UHFFFAOYSA-N 331.544 4.313 0 40 EIAB CC(C)CN(C)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 58011014 LJEGQGCUMBTODI-IBGZPJMESA-N 338.451 4.032 0 40 EIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1F 58167682 VTASMTVPBZESEN-UHFFFAOYSA-N 334.394 4.143 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351949 SPMUKRMCCYBMAN-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB Brc1cccc(-c2csc(Nc3ncccn3)n2)c1 67321963 RPENUBATCKXGQO-UHFFFAOYSA-N 333.214 4.106 0 40 EIAB CC(C)(C)n1cc(C(=O)Nc2scnc2-c2ccc(F)cc2)cn1 69776258 FMYCICDKZSLSDS-UHFFFAOYSA-N 344.415 4.153 0 40 EIAB COc1cccc(OC)c1[C@H]1CCCN1C(=O)OCc1ccccc1 72221416 ZSMHWZVDSCFWDF-MRXNPFEDSA-N 341.407 4.178 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C[C@H]1CCN(Cc2ccccc2)C1 72306863 YGYLYSQMDJNFQI-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB Fc1ccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)cc1 72358319 DTGFISGOKOXIKG-INIZCTEOSA-N 325.431 4.405 0 40 EIAB CCN(C(=O)c1cccc2cnccc12)[C@H](C)Cc1ccc(OC)cc1 73083579 MSECYZKRCWSOFB-MRXNPFEDSA-N 348.446 4.337 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)o1 75144326 YHTCGJCAIXYEDS-UHFFFAOYSA-N 349.390 4.086 0 40 EIAB Cc1nc(SCc2ncc(C(C)C)o2)n(C[C@H]2CCCO2)c1C 95396608 NNGGKSSFKCRPBD-CQSZACIVSA-N 335.473 4.083 0 40 EIAB COCc1ccccc1NCc1csc(COc2ccccc2)n1 95428682 VUGCDZGVDUHNLO-UHFFFAOYSA-N 340.448 4.481 0 40 EIAB C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 95468922 BWDJRPHDBVRKQY-WIYYLYMNSA-N 337.463 4.073 0 40 EIAB Cc1cc(NC(=O)[C@H](C)Cc2cccs2)cnc1Br 96009006 PIJNUQUFCFGLSM-SNVBAGLBSA-N 339.258 4.031 0 40 EIAB Cc1nnc(CCCSc2ncc(-c3ccc(Cl)cc3)o2)o1 96488982 BGCWJLQFUSALMW-UHFFFAOYSA-N 335.816 4.411 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(OC)cc1 223974297 TWJCVPHBTGAKGB-QGZVFWFLSA-N 335.806 4.298 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccccc2)cc1C 224955241 ZXGGMXMNKCSZQE-UHFFFAOYSA-N 329.465 4.057 0 40 EIAB CC(C)[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 225185133 HZEWEJJPURCIII-KRWDZBQOSA-N 336.479 4.019 0 40 EIAB CC(C)c1nsc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 301537340 UJECAVSZCMVDOR-LBPRGKRZSA-N 328.441 4.187 0 40 EIAB CC(C)n1ncnc1CN[C@@H](c1cccc2ccccc12)C(F)(F)F 390835524 PNIKDYPFVODFOR-KRWDZBQOSA-N 348.372 4.405 0 40 EIAB CCc1ccccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 1524779924 WAAAESGPCPQGDN-DOTOQJQBSA-N 344.252 4.297 0 40 EIAB Clc1c(CSc2nc3ccccc3s2)nc2ncccn12 151946 LGWFUVKQMPMQFZ-UHFFFAOYSA-N 332.841 4.285 0 40 EIAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(N4CCCC4)c23)CO1 520674 HCVYBKYFBJZVDK-KRWDZBQOSA-N 349.525 4.255 0 40 EIAB COc1ccc(-c2csc(-n3nc(C)cc3C(F)(F)F)n2)cc1 1407181 MCJPYHDCWDISCH-UHFFFAOYSA-N 339.342 4.332 0 40 EIAB CSCC[C@@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 2374485 VTKRKOKHBIQKNX-QGZVFWFLSA-N 339.464 4.096 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 2426887 ALAZOKKCQXKWCP-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 2550084 JNEDDBIAMYVRIN-UHFFFAOYSA-N 339.313 4.220 0 40 EIAB CCc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1 2713340 RCPVAIYOFRYXLX-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 3418541 XMSOBCKEVNYAFR-CQSZACIVSA-N 348.402 4.204 0 40 EIAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)c1cccc(Cl)c1 4163812 GJJFYFPDOWXRQP-UHFFFAOYSA-N 340.810 4.366 0 40 EIAB CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 4340698 QIHLOVDEDJYRGH-UHFFFAOYSA-N 338.359 4.092 0 40 EIAB biogenic COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1Br 4698785 KZGOXFJZNMNXSI-UHFFFAOYSA-N 349.159 4.314 0 40 EIAB Cc1ccc(NC(=S)NCc2ccccc2)c(Br)c1 5127220 KLWUJBOVKDEMAD-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB O=C(COc1cccc2ccccc12)NCc1ccc(Cl)cc1 6010806 YYHHHZOBLVGZAF-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB C[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 6051453 BHEAYQBEXNJRQE-LBPRGKRZSA-N 338.234 4.292 0 40 EIAB Fc1ccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 6242840 ZCXCSWSVWOMVAN-UHFFFAOYSA-N 335.260 4.489 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1OCC 6274210 DLGLTJXKLXSTGB-UHFFFAOYSA-N 349.814 4.485 0 40 EIAB Cc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)(C)C 6315393 KWNCYMOPCCXYSX-UHFFFAOYSA-N 335.451 4.172 0 40 EIAB CCC(CC)c1nnc(NC(=O)CCOc2cccc(C)c2)s1 6543288 GLQZVIWFIALTDH-UHFFFAOYSA-N 333.457 4.158 0 40 EIAB O=C1CCCN1c1ccc(OCc2cc(-c3ccccc3)on2)cc1 7063428 VWGPVVMORFFJNV-UHFFFAOYSA-N 334.375 4.047 0 40 EIAB CCCCCC[C@@H](C)NC(=O)CSc1ncnc2ccccc12 7151922 DRTLTCHSXRLCEE-CQSZACIVSA-N 331.485 4.197 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 7242323 QBAXZHWKLZPWMF-GFCCVEGCSA-N 344.842 4.276 0 40 EIAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)ccc1Cl 7605992 XMTBNGCJOWRBAV-CHWSQXEVSA-N 335.806 4.432 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(F)cc1Br 8061013 TXYUORJXUVYEON-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB CCOc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1 10448971 GCAYBMMOCQBGJM-UHFFFAOYSA-N 347.842 4.214 0 40 EIAB O=C(O)[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1 11798207 PYQBGHZZGUTMSS-ZDUSSCGKSA-N 341.588 4.307 0 40 EIAB CCn1/c(=N\C(=O)c2ccccc2F)sc2cc(Cl)ccc21 12180834 RFSRITCGJDWAEY-KNTRCKAVSA-N 334.803 4.256 0 40 EIAB CCN(CC)C(=O)N1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1 12187911 YYXKKHLQMCMZLC-UHFFFAOYSA-N 328.456 4.005 0 40 EIAB Cc1ccc(C)c([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 12592564 HPZIMOKHXZNBFJ-OXQOHEQNSA-N 336.435 4.049 0 40 EIAB CC(C)n1ncc2cc(NC(=O)CCc3cc4ccccc4o3)cnc21 12934857 SKQLBTVLIYBYGB-UHFFFAOYSA-N 348.406 4.330 0 40 EIAB CCn1c(Cc2cccs2)nnc1SCc1ccccc1F 14112921 OCKKTNKERXFSDA-UHFFFAOYSA-N 333.457 4.382 0 40 EIAB O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1cccs1 16092958 KMBFXZVLJDQVSK-UHFFFAOYSA-N 332.402 4.308 0 40 EIAB Cc1sc2nc3sc(-c4ccc(Cl)cc4)nn3c(=O)c2c1C 17072321 LRLGNBCXHWPGDW-UHFFFAOYSA-N 347.852 4.303 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](c3cc4ncccc4cn3)C2)cs1 19571763 VLQFHRQAMHAZIB-HNNXBMFYSA-N 337.448 4.020 0 40 EIAB O=C1CS[C@H](c2cccc(Cl)c2Cl)N1Cc1ccco1 19926962 FNJHBCGDNBIETI-CQSZACIVSA-N 328.220 4.361 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 20041392 KTOGBKZRYSOTDM-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB CCOc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20141434 UANCLSRRAUEIAH-UHFFFAOYSA-N 337.375 4.090 0 40 EIAB Cc1cc2nc(-c3cc(N)cc(C)c3O)oc2c(Br)c1C 20156866 BKVZXKXFEPPURF-UHFFFAOYSA-N 347.212 4.470 0 40 EIAB CC(C)c1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1 21974199 FFTILFBWSYKCKD-UHFFFAOYSA-N 325.408 4.153 0 40 EIAB Cc1ccc(CN(C)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 22529064 IDCOHIUUCBULHN-UHFFFAOYSA-N 331.843 4.303 0 40 EIAB C[C@@H](NC(=O)NCc1ccccc1)c1cccc(Br)c1 24688637 OMAMUOIYHAWBRX-GFCCVEGCSA-N 333.229 4.010 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCC3)c(C)c2)c1 25925872 WCVVCPQNOQWFDB-UHFFFAOYSA-N 338.451 4.230 0 40 EIAB CCCCNc1ncnc2sc([C@@H]3COc4ccccc4O3)cc12 26503758 UWHDIATVQGLJSS-HNNXBMFYSA-N 341.436 4.416 0 40 EIAB O=C1CCCN1c1ccc(OCc2cc(F)cc3cccnc23)cc1 31609217 RTOCIQIHWKGWHS-UHFFFAOYSA-N 336.366 4.080 0 40 EIAB Cc1nccc(-c2cccc(NCc3nc(-c4ccsc4)no3)c2)n1 31785665 VCSJZLVKARPUFW-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(C)cc3)c2C)c1 32609740 YWCNCCOLISTGII-UHFFFAOYSA-N 349.434 4.118 0 40 EIAB COc1ccc(OC)c(C(=O)Oc2cc(Cl)ccc2Cl)c1 32674870 RSVBHUGEUMDAFK-UHFFFAOYSA-N 327.163 4.230 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(F)cc2F)CC1 39757411 AQASOCYZTNZCMA-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1CCCc2ccccc21 40112564 AAHKQFMOBYDBJB-LJQANCHMSA-N 345.402 4.328 0 40 EIAB CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 65554147 XTWHJBJRCTXTRH-MRXNPFEDSA-N 327.428 4.226 0 40 EIAB COc1ccncc1NC(=O)c1csc(-c2ccccc2Cl)n1 66356498 UUJBBKCROARTND-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)CCC(=O)c3ccccc3)c2)o1 66857421 UXMNVONDUFLNSU-UHFFFAOYSA-N 334.375 4.252 0 40 EIAB CCc1noc(CCCC(=O)N(Cc2cccc(Cl)c2)C(C)C)n1 69591630 FCNHTJTUOBVSSQ-UHFFFAOYSA-N 349.862 4.045 0 40 EIAB CC(C)c1noc2ncc(-c3nnc(Cc4ccccc4F)o3)cc12 71890754 BEUXLNFOSVLDRE-UHFFFAOYSA-N 338.342 4.126 0 40 EIAB COc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)c(OC)c1 71977504 BXRSMZGNIFOSBO-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB O=C(NCC[C@H](O)c1ccco1)c1sc2ccccc2c1Cl 72242741 WZUPKBGGEOIYFH-NSHDSACASA-N 335.812 4.001 0 40 EIAB C[C@]1(C(=O)NCc2nc3ccccc3s2)CCc2ccccc2C1 72302749 CWYNCHJXOHGNBC-FQEVSTJZSA-N 336.460 4.108 0 40 EIAB CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccoc2)c2ccccc21 76023060 UNTQLZODGIFEPV-UHFFFAOYSA-N 342.395 4.072 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1 79361101 UGKBFYWYPGAEMJ-QFIPXVFZSA-N 335.856 4.088 0 40 EIAB O=C(N[C@@H]1COc2ccccc21)C(c1ccccc1)c1ccccc1 84522681 LEZSCDDHVGXIQI-LJQANCHMSA-N 329.399 4.068 0 40 EIAB CC1CCN(c2cccc(NCc3ccc([S@@](C)=O)cc3)c2)CC1 95429262 IAZNVMXFQJCVKV-DEOSSOPVSA-N 342.508 4.272 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@@]1(C)CO2 96306229 SYRZSOPNMJQENZ-FPOVZHCZSA-N 332.403 4.104 0 40 EIAB Cc1csc([C@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C2CC2)n1 96437456 XLEKPBZVRZXBJJ-XHDPSFHLSA-N 333.432 4.102 0 40 EIAB CC[C@@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccs1 96474159 MPPUJKYAEABUDZ-CHWSQXEVSA-N 336.482 4.044 0 40 EIAB CCc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)cc1 101136981 UROVDZPMWWQYQT-IYWMVGAKSA-N 335.447 4.265 0 40 EIAB O=C(c1ccnc(Cl)c1F)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 108147282 SXDLYHISRGTLHZ-XUXIUFHCSA-N 336.838 4.305 0 40 EIAB Clc1ccc(B(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 169821896 POHXDOXYWWLTGL-UHFFFAOYSA-N 345.465 4.163 0 40 EIAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 216954892 WWTVNJAYKJPGJT-UHFFFAOYSA-N 347.201 4.044 0 40 EIAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222956798 YHWWTHFNUDIYFS-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223227529 DHVXPTLCKCPPHI-AUUYWEPGSA-N 341.426 4.349 0 40 EIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1C 223505355 DVRIHDMEMSGYJB-HNNXBMFYSA-N 335.444 4.099 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(C)c1 224537551 JNQFBFWPHBJMSE-NRFANRHFSA-N 337.463 4.348 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cc(C)ccc1C 225580164 OVUNDYLFXGVATP-QGZVFWFLSA-N 333.545 4.244 0 40 EIAB Cc1cc(C)cc(NC(=S)NCCOc2ccccc2Cl)c1 225779279 OCUIMEFBIFUPLA-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB Nc1cccc(Cl)c1NC(=O)CSc1ccc(Cl)cc1 226359569 HASGGTOYBDJCKN-UHFFFAOYSA-N 327.236 4.306 0 40 EIAB CC[C@H](C(=O)NC[C@@H](OC)c1cc2ccccc2o1)c1ccccc1 253471950 GSMVVIURQNOOSA-FXAWDEMLSA-N 337.419 4.430 0 40 EIAB COC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257324709 WPUFYLWYRCMKAJ-UHFFFAOYSA-N 346.373 4.144 0 40 EIAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2CC1CCCCC1 585108924 DYQITXZYUGLBKX-VDGAXYAQSA-N 326.484 4.003 0 40 EIAB COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)C1 1569989270 QSFBKFCSXRMKAR-GLMOOOCBSA-N 334.500 4.299 0 40 EIAB O=C1c2ccc(-c3ccccc3)cc2C(=O)N1CNc1ccccc1 96393 NUBHFAOSHRFQFT-UHFFFAOYSA-N 328.371 4.019 0 40 EIAB Cc1ccc2cc(C)c(SCC(=O)Nc3nccs3)nc2c1 412600 CQOPCNYJQDIYJS-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1Cc1ccccc1Cl 425274 MKWDMEAKWLDZQR-UHFFFAOYSA-N 337.231 4.414 0 40 EIAB Cc1ccc(S(=O)(=O)[C@@]2(Cc3ccccc3)C=CCCC2)cc1 478259 VOYAVHJILAWLGD-FQEVSTJZSA-N 326.461 4.490 0 40 EIAB Cc1cccc(-c2nnc(N(C(=O)C(C)C)C3CCCC3)s2)c1 1345379 XTOMNLBECLMCLM-UHFFFAOYSA-N 329.469 4.445 0 40 EIAB CC(C)c1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427561 NXZGNJOPTAPING-INIZCTEOSA-N 334.371 4.357 0 40 EIAB COc1ccc(/C(Br)=C2\OC(=O)c3ccccc32)cc1 1638766 RNRMFMQECBCXRM-CCEZHUSRSA-N 331.165 4.086 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc2ccccc12 3318016 DOMHELNACXKBRX-UHFFFAOYSA-N 334.371 4.408 0 40 EIAB Cc1cccc(C(=O)NCCNc2nc3cc(C)c(C)cc3cc2C)c1 4848611 AICNCQUXKWKJKR-UHFFFAOYSA-N 347.462 4.310 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)c1 5307784 IPEZEIPVOGIKKB-UHFFFAOYSA-N 343.448 4.039 0 40 EIAB CCc1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 5471786 HCZNVTUGIDPMIT-UHFFFAOYSA-N 327.383 4.301 0 40 EIAB CCOc1ccc(-n2c(S)nnc2-c2cccc(Cl)c2)cc1 6176748 ZBTXEJYGNZFVLC-UHFFFAOYSA-N 331.828 4.275 0 40 EIAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 6654892 WOTYXCIZRNKPSG-YRNVUSSQSA-N 346.235 4.448 0 40 EIAB c1ccc(-c2cnc(CSc3nnc(NC4CC4)s3)o2)cc1 7577634 UOKQCKKDLONHJG-UHFFFAOYSA-N 330.438 4.060 0 40 EIAB O=C1Cc2cc(-c3csc(-c4ccsc4)n3)cc3c2N1CCC3 8102864 RKHUMONZLFWYQL-UHFFFAOYSA-N 338.457 4.374 0 40 EIAB COc1cc(NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)C(C)C 8335523 GUXDWWRRVGYTET-UHFFFAOYSA-N 340.423 4.159 0 40 EIAB COCCCNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 8378600 PQKZLKMSWLFDSD-UHFFFAOYSA-N 327.815 4.399 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 8479252 ROVHVULPHBBQTA-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 8744840 KYDWFLYHHKJINZ-UHFFFAOYSA-N 342.464 4.474 0 40 EIAB CSc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(F)cc1)N2 10156734 LETFIIDOGHIKSF-MRXNPFEDSA-N 338.411 4.195 0 40 EIAB O=C(c1cccc(F)c1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188024 HTEWJEFWURZSRV-SFHVURJKSA-N 334.394 4.394 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2CCCC2=O)c1 12999610 LADWCWCMADNCSW-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB O=c1cc(C(F)(F)F)oc2c(Br)cc(Cl)cc12 15109303 DSNBTBOPOMXYKG-UHFFFAOYSA-N 327.483 4.228 0 40 EIAB Cc1ccc(SCC(=O)c2cc(Br)ccc2O)cc1 16310950 OZLWRTRJBWCJGH-UHFFFAOYSA-N 337.238 4.438 0 40 EIAB Cc1ccc(SCC(=O)Nc2cccc3nsnc23)c(C)c1 19078642 XLSYBHLOFBEUSI-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC 20492289 DCHATYYBPZEFSG-CQSZACIVSA-N 345.464 4.440 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 21368987 GBTWOZZJKPSUQO-HOTGVXAUSA-N 349.430 4.493 0 40 EIAB O=C(Oc1cccc(Br)c1)c1cc(-c2ccccc2)on1 21785923 IXSMMMMGHSISCV-UHFFFAOYSA-N 344.164 4.323 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2ccco2)no1 22461999 NUDNQSZPUOLYEG-MDZDMXLPSA-N 347.330 4.242 0 40 EIAB Cc1c(C(=O)COC(=O)c2cc3ccccc3[nH]2)oc2ccccc12 23595000 UQYKVZQYSFZDNQ-UHFFFAOYSA-N 333.343 4.262 0 40 EIAB O=C(CCCOc1ccc(F)cc1)Nc1ccc(F)c(F)c1F 24837420 PKVZHYNFLBSESL-UHFFFAOYSA-N 327.277 4.041 0 40 EIAB Cc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)c(C)c1 25598270 UVLFIQYSMALMRS-UHFFFAOYSA-N 349.474 4.414 0 40 EIAB CCn1c(C(=O)O)cc2c(-c3cccs3)nn(-c3ccccc3)c21 31773262 SDGNWNSOJLSAKJ-UHFFFAOYSA-N 337.404 4.274 0 40 EIAB O=c1oc2ccc(Cl)cc2n1Cc1ccc(OC(F)(F)F)cc1 32776734 CMVZAOSFTWKSEC-UHFFFAOYSA-N 343.688 4.195 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccccc2Cl)c1 32820681 GZIHNYKMMCFDAL-KRWDZBQOSA-N 345.826 4.335 0 40 EIAB Cc1cn(C)nc1C(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 38508384 JEWHOHGXSXVRLW-UHFFFAOYSA-N 346.415 4.238 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)N[C@@H]1CCSc2ccccc21 45552111 USMNKRPVFNTAEV-JKSUJKDBSA-N 340.448 4.047 0 40 EIAB O=C(Nc1cccc(COCCOc2ccccc2)c1)C1CCCC1 46689087 OTZCZXGJNDHEAZ-UHFFFAOYSA-N 339.435 4.411 0 40 EIAB Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc2ncccc12 46814930 ODPRBYFTWRVFIT-HZPDHXFCSA-N 333.435 4.221 0 40 EIAB O=C([C@H]1CCCc2ccccc21)N1CCC(Nc2ccccc2)CC1 48292315 LTKXEMFSMZLXDR-NRFANRHFSA-N 334.463 4.210 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(CC)c3)n[nH]2)cc1 51315398 SVWNGPMQGZXWNC-UHFFFAOYSA-N 335.407 4.290 0 40 EIAB CCCC(=O)Nc1cccc(N[C@@H](C)c2nc(CCC)no2)c1C 58158213 GIWHMXFUJUFQMJ-ZDUSSCGKSA-N 330.432 4.242 0 40 EIAB CCOc1cc(/C=C/c2ncc(C(=O)O)s2)cc(Cl)c1OC 58391510 IQWAASIXXAJTCP-SNAWJCMRSA-N 339.800 4.072 0 40 EIAB FC(F)(F)[C@@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 64555136 ZOMGGUPVNKQMIS-CQSZACIVSA-N 349.400 4.135 0 40 EIAB O=C(C[C@H]1C=CCC1)N[C@H](Cc1nccn1C(F)F)c1ccccc1 65493949 FZDKQGGTURVRMO-GOEBONIOSA-N 345.393 4.035 0 40 EIAB O=C(Nc1ccccc1Cl)N(Cc1ccccc1)Cc1cc[nH]n1 65513246 JJTXDCSMSCKMKM-UHFFFAOYSA-N 340.814 4.297 0 40 EIAB Brc1cccc2cccc(I)c12 71255457 XNDLRPFISURYTA-UHFFFAOYSA-N 332.966 4.207 0 40 EIAB in-vitro CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@H](C)c3ccccc3)C2)no1 72232231 LRDOKESKKGJKOW-DOTOQJQBSA-N 341.455 4.093 0 40 EIAB Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1 72298869 KSVIDYQIJMQRSX-DLBZAZTESA-N 340.492 4.278 0 40 EIAB CCCCCNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 72302627 JRTBFUIVSRCCLU-NVXWUHKLSA-N 348.487 4.195 0 40 EIAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 72358939 UDJGYJLRJWKBBX-LJQANCHMSA-N 349.478 4.348 0 40 EIAB C[C@H]1C(=O)Nc2ccccc2N1Cc1c(Cl)ccc2cccnc12 78970670 BLWWKMVATGFHLI-LBPRGKRZSA-N 337.810 4.235 0 40 EIAB CC(C)n1c([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2ccccc21 79308073 UUPOIMFQBCMZPY-KRWDZBQOSA-N 348.450 4.032 0 40 EIAB C[S@](=O)c1ccc(CNc2cccc(CN3CCCCC3)c2)cc1 89493225 WCGJYJRSNMDVDX-XMMPIXPASA-N 342.508 4.022 0 40 EIAB CCN(CC)c1nc(-c2cc(C)c(C)cc2C)c(CC(=O)O)s1 95097119 BIETWZHGLSZTIN-UHFFFAOYSA-N 332.469 4.209 0 40 EIAB CC[C@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2 95968681 CTTJZUJIIWYKNM-FQEVSTJZSA-N 347.462 4.107 0 40 EIAB CC1CCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)CC1 96407995 FATHUANOZCHPQM-UHFFFAOYSA-N 348.512 4.363 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 192963330 GGWRIEDTGWYMHK-INIZCTEOSA-N 332.403 4.078 0 40 EIAB O=C(Nc1ccc(F)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 222603070 QDIIYHXKRVXNKB-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1Cl 222802163 DSOHKNZYKKHXHD-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2ccc(Cl)cc2)c1 223617794 UHTJRXHLOMADMS-UHFFFAOYSA-N 331.843 4.160 0 40 EIAB CC1CCN(Cc2ccc(C(=O)NCC3CCCCC3)cc2)CC1 224332488 CQNRKWHMCWZKCG-UHFFFAOYSA-N 328.500 4.229 0 40 EIAB Cc1ccc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1C 225066584 VZOUVAQLYHLJDG-MRXNPFEDSA-N 349.224 4.141 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCC1 225392913 IHTDPOJOZGPMTI-GOSISDBHSA-N 335.513 4.253 0 40 EIAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2 524735766 XSPCYLAASOMSFX-CQSZACIVSA-N 343.477 4.113 0 40 EIAB O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccco2)c1 575617462 BVURHKATXXMGBM-UHFFFAOYSA-N 342.398 4.354 0 40 EIAB CC(C)Cn1ccc2c(C(=O)N3CCn4cccc4[C@H]3C)cccc21 1624142023 WADMPZFZHWKBTL-MRXNPFEDSA-N 335.451 4.316 0 40 EIAB CCC(C)(C)C(=O)N1CC(n2c(C(C)(C)C)nc3ccccc32)C1 1889149270 OBQWQOQTIQIOGA-UHFFFAOYSA-N 327.472 4.153 0 40 EIAB CC(=O)c1cccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1 426628 QMSPZJSLWAOMES-CQSZACIVSA-N 340.423 4.281 0 40 EIAB O=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)o1 483702 MXJRBSHPGJZFBQ-UHFFFAOYSA-N 334.784 4.221 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)COc2ccccc2Cl)cc1 568274 PMPREHYSZBTUHV-UHFFFAOYSA-N 346.858 4.199 0 40 EIAB Cc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)c1 1469219 UZYPQYQHGQGNQB-QGZVFWFLSA-N 346.430 4.119 0 40 EIAB CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 1770691 QVBMJMVZBSVZKQ-SNVBAGLBSA-N 325.430 4.008 0 40 EIAB CSCCCNC(=S)Nc1ccc2c(c1)-c1ccccc1C2 3429051 RWJCEKBUGXSQNN-UHFFFAOYSA-N 328.506 4.297 0 40 EIAB Cc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2[nH]1 4138092 JCBBGTPVTSRODG-UHFFFAOYSA-N 344.414 4.325 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4977679 JVSNEQVFZFOPEO-YXJHDRRASA-N 332.440 4.156 0 40 EIAB COCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 5151494 XHARZTHFNXBLOQ-UHFFFAOYSA-N 344.480 4.167 0 40 EIAB Fc1ccc(OCCCSc2nc(-c3cccs3)n[nH]2)cc1 6035322 LUBAIHKLWQBIQO-UHFFFAOYSA-N 335.429 4.234 0 40 EIAB O=C(COc1cccc(Oc2ccccc2)c1)NCc1cccs1 6231806 YLUSBSDMLNBRPO-UHFFFAOYSA-N 339.416 4.236 0 40 EIAB COC(=O)c1ccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1 7333519 XUUMKEIMOHTTEK-JYRVWZFOSA-N 346.795 4.322 0 40 EIAB O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1 8133965 KEMXFSKOUZIIES-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB CCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 9112201 CLMHCIQCZFZXTR-IBGZPJMESA-N 336.435 4.101 0 40 EIAB CCCn1nc(C)c(CNC2(c3ccccc3OC)CCCC2)c1C 12344829 KBSJWTIZOMAJLL-UHFFFAOYSA-N 341.499 4.478 0 40 EIAB COc1ccc(Cl)cc1-c1nn2c(-c3ccccc3)nnc2s1 12391580 CRZFSNOAGMKYLG-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Cc1cc(C)cc(-n2nc(C)c3c(C(F)(F)F)c(C(=O)O)cnc32)c1 12506028 LPUVHRPRBMDVAU-UHFFFAOYSA-N 349.312 4.063 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)cn2c(=O)c3ccccc3sc12 12788667 IFBCVZLSHMPLJJ-UHFFFAOYSA-N 349.411 4.358 0 40 EIAB CCCCN(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 12886656 LNJNRSNDWIHFJM-UHFFFAOYSA-N 343.452 4.440 0 40 EIAB CC1=C(C)[C@H](NCc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 13940713 JMXHWXVTZFOEGV-HTAPYJJXSA-N 348.490 4.302 0 40 EIAB Cc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1 15669574 FUTYFBSJLVWJJF-UHFFFAOYSA-N 327.409 4.068 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 15746692 IYWXNCONOXNVSJ-HNJRGHQBSA-N 329.399 4.055 0 40 EIAB O=C(COc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 16709628 ZZPIVMYGECLFQH-OAHLLOKOSA-N 333.840 4.072 0 40 EIAB CN1C(=O)CCN=C(c2ccc(Cl)cc2)c2cc(Cl)ccc21 18322710 RYFVPWCSBPISQS-UHFFFAOYSA-N 333.218 4.197 0 40 EIAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(CC(C)(C)C)C3)ccc12 19742894 FJRXVPOCGSMFJB-AWEZNQCLSA-N 329.492 4.004 0 40 EIAB CCCCCn1c(=N)n(CCOc2ccccc2C)c2ccccc21 20130663 HWLHKPKCSLVFPR-UHFFFAOYSA-N 337.467 4.500 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(F)cc1 20460543 QKCOREWKBKSMKV-CRAIPNDOSA-N 329.415 4.477 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 20483746 IPCDGBLLNKAVKW-LBPRGKRZSA-N 335.856 4.318 0 40 EIAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)c1ccc(F)cc1 21280237 LPJKUPZKXPSFKC-ZDUSSCGKSA-N 327.428 4.398 0 40 EIAB CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)cc1 21836795 PFDYZTPLJGDIMS-FQEVSTJZSA-N 341.451 4.430 0 40 EIAB Cc1noc(COC(=O)CSc2cccc3cccc(Cl)c23)n1 22639814 FHRLIESADQUHEF-UHFFFAOYSA-N 348.811 4.020 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccncc3)ccc2c1 22881401 KUYVWYJVUJPJDN-LSDHHAIUSA-N 334.419 4.224 0 40 EIAB CC(C)N(Cc1ccccc1)Cc1nc(O)c2oc3ccccc3c2n1 25820724 IQHIYQMHJSQCGA-UHFFFAOYSA-N 347.418 4.492 0 40 EIAB CC(C)CCCNC(=O)N[C@H](C)c1ccc(Br)cc1 26391880 VMLWGECHUAOYPU-GFCCVEGCSA-N 327.266 4.246 0 40 EIAB COc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(OC)c1 32922947 XFKVUQCVTNOZQA-SNKBCLOLSA-N 343.467 4.144 0 40 EIAB Nc1cc(N)nc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 32957861 XUWWAFPUIBNXJY-MRXNPFEDSA-N 342.855 4.176 0 40 EIAB C[C@H]1CCc2nc3ccccc3c(C(=O)OC[C@H]3CCCCO3)c2C1 32964025 DDMJMHYIUTXHRB-LSDHHAIUSA-N 339.435 4.086 0 40 EIAB O[C@@H](CNc1ccc(F)cc1)COc1ccc(-c2ccccc2)cc1 35170670 QBVBACAEIFXSKH-FQEVSTJZSA-N 337.394 4.345 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 38833352 MWZYVEUBAVFOCE-SFHVURJKSA-N 340.442 4.293 0 40 EIAB Cc1ccc(-c2nnc([C@@H](C)N3CCc4sccc4C3)o2)cc1 40033633 VDRGANBPRQBUGI-CYBMUJFWSA-N 325.437 4.226 0 40 EIAB O=C(NCC(F)(F)F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40062209 VVUIEJHCCXJBGX-QWRGUYRKSA-N 340.370 4.025 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 40120904 BVHSPSXFKOAMIB-CQSZACIVSA-N 344.484 4.358 0 40 EIAB Cc1cc(C)n(-c2nc3ccc(-c4nc5ncccc5o4)cc3s2)n1 40542426 FTNNWDIKICZSDY-UHFFFAOYSA-N 347.403 4.302 0 40 EIAB Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1C 44836897 ALQAKOVCIRWTTH-UHFFFAOYSA-N 342.782 4.364 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)c(Cl)c1 44947604 HSCPSGNPSYIORG-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB Cc1ccc(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cn1 47416331 HBEUYYXLMLMVJC-NRFANRHFSA-N 348.471 4.168 0 40 EIAB Cc1cc(C(=O)CCC(=O)N2c3ccccc3C[C@@H]2C)c(C)s1 48312282 OSPHDJBXOAJOQD-LBPRGKRZSA-N 327.449 4.306 0 40 EIAB CCOc1ccc2nc(S[C@@H](C)c3nc(C4CC4)no3)[nH]c2c1 53331562 XKKGHUUDBGDSKM-VIFPVBQESA-N 330.413 4.075 0 40 EIAB CCCCO[C@H](C)C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 58004671 FURQMWHTDDIDKW-GFCCVEGCSA-N 343.452 4.435 0 40 EIAB CC1(C)CC[C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc21 58412918 AWNQKCLQEWVYRG-CZUORRHYSA-N 326.267 4.499 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCCSc2ccccc21 58414915 BRABYJNYJFMEFS-UHFFFAOYSA-N 347.443 4.286 0 40 EIAB COc1cccc(-c2nc(CN(C)[C@@H](C)C3CC3)cs2)c1OC 69371665 JYHPIAMLZMSFFT-LBPRGKRZSA-N 332.469 4.058 0 40 EIAB CCN(C(=O)c1cc(C)no1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 69698602 IIIWOHHYNBFMTE-HXUWFJFHSA-N 349.434 4.247 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1ccc2ccccc2n1 71121017 ZBGPDWKUGGCDMN-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB Cc1nc(C2(NCc3cc(F)cc4cccnc34)CCCCC2)no1 71826830 MAWVEJWTZKGZBS-UHFFFAOYSA-N 340.402 4.015 0 40 EIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1NC1CC1 72213713 BGZQTTMGNMFITQ-GOSISDBHSA-N 337.423 4.130 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 72216079 ZJLIMKFYTVFFRH-FQEVSTJZSA-N 349.478 4.439 0 40 EIAB CCCC(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C 72228546 QLLPKDJLQIWTNL-UHFFFAOYSA-N 342.468 4.454 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 72242997 JCJBYTWFPUIUSM-UHFFFAOYSA-N 337.276 4.282 0 40 EIAB Cc1ccc(-c2nc(N3C[C@H](C)O[C@H](C)C3)nc3ccccc23)cc1 72314705 JTZNBPKYISTZHL-IYBDPMFKSA-N 333.435 4.219 0 40 EIAB CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1C 96105047 KTHZRHZTMSWSRV-QHSLDKKCSA-N 341.476 4.234 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1nn(-c2ccccc2)cc1C 96415942 LAXWFANLIYMFOL-GOSISDBHSA-N 349.438 4.191 0 40 EIAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl 101084766 DDTBWYSVKSKVJI-MAUKXSAKSA-N 328.799 4.418 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccc(F)cc1 222734343 YQVVDCNGQNPMGS-CABCVRRESA-N 341.426 4.349 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1Cl 224067604 KOXLNZJLRZSLSN-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224094633 WQXIGRQWOGMWBJ-OAHLLOKOSA-N 327.424 4.111 0 40 EIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 224284352 AACYJYARBFWWNZ-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB CCOc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1OCC 224768410 ZVNZNGLWWLUFHC-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cc(C)cc(C)c1 225580260 FNSCLBXFBVFERI-SFHVURJKSA-N 333.545 4.244 0 40 EIAB CO[C@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccco1 225653779 RFWZVHLSRVQAOY-QGZVFWFLSA-N 327.405 4.126 0 40 EIAB Cc1nc(C)c(C(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)s1 409412780 BYYHVTOLNXRNNT-YLFCFFPRSA-N 326.465 4.072 0 40 EIAB CNc1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 625927706 VKDQSGZGKRCBQB-WJYNOGRTSA-N 329.831 4.449 0 40 EIAB O=C(CCc1ccccc1C(F)(F)F)N[C@@H]1CCCC(F)(F)C1 631922360 ULTKJXORINAQGC-GFCCVEGCSA-N 335.316 4.332 0 40 EIAB CC(C)(C)c1cc(Nc2cccc(OC[C@@H]3CCCO3)c2)ncn1 1611866327 HOBAOLKXTSKMSF-INIZCTEOSA-N 327.428 4.076 0 40 EIAB O=Cc1cncc(C(=O)N2CCC[C@H]2c2cccc3ccccc23)c1 1625530292 GRQGLGZLJPEUAV-FQEVSTJZSA-N 330.387 4.025 0 40 EIAB C[C@H](NC(=O)c1cc(O)nc2c1CCCC2)c1cccc(C2CC2)c1 1637640778 RFVCBMYTTDXATN-ZDUSSCGKSA-N 336.435 4.034 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 74860 PEIZOOOJGCXZLV-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(Cl)c2C)c1 505897 IBNUTGPMUUDYBY-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB Cc1nn(C(=O)c2c(-c3ccccc3)noc2C)c2c1[C@H]1[C@@H](C2)C1(C)C 535098 HJHQAECFXSSPJW-RDTXWAMCSA-N 347.418 4.139 0 40 EIAB COc1cc(OC)nc(Oc2cc(Cl)c(Cl)cc2Cl)n1 1403352 YZQDVRBOKZNWMU-UHFFFAOYSA-N 335.574 4.246 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)N2CCc3ccccc3C2)cc1C 2662330 RVJRRWOQPIWJDC-MRXNPFEDSA-N 325.477 4.369 0 40 EIAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 2717743 UKWRZCDQDPYANI-ZDUSSCGKSA-N 348.431 4.374 0 40 EIAB Clc1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 3274283 XTUSWUFPBDBZSB-UHFFFAOYSA-N 346.795 4.411 0 40 EIAB COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl 3613816 DDQAXPSPLYQNTP-UHFFFAOYSA-N 340.206 4.328 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc(O)cc1 3902181 UODHAIKICSVODS-XNTDXEJSSA-N 340.382 4.262 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc2ccccc2c1 4278971 DYGJVCJMICGFRW-UHFFFAOYSA-N 348.807 4.270 0 40 EIAB Cc1nn(C)c(Cl)c1/C=C/c1nc(-c2ccc(Cl)cc2)no1 4284829 ZLOJQMNHRQJVND-BQYQJAHWSA-N 335.194 4.256 0 40 EIAB Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c(C)cc(=O)oc2c1 4540380 QXKOJYJPHQCHIN-UHFFFAOYSA-N 342.778 4.325 0 40 EIAB CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(C)c1 4661206 PNGOFFIYHGTABC-INIZCTEOSA-N 326.440 4.247 0 40 EIAB CCSc1nsc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1 4898325 BWHGLDWMDVGLSI-UHFFFAOYSA-N 348.375 4.313 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1C 5252299 WZTNGOPDDXWJHC-UHFFFAOYSA-N 348.446 4.245 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(Cl)c1 5505967 QRZKBKODCZQUID-NSHDSACASA-N 343.839 4.403 0 40 EIAB COc1ccc(-c2cnc3cc(-c4ccccc4OC)nn3c2)cc1 6745614 KFUQWLLIUVYCTP-UHFFFAOYSA-N 331.375 4.081 0 40 EIAB CCc1onc(C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7778846 AAKVTPHQGZPJGZ-UHFFFAOYSA-N 332.709 4.470 0 40 EIAB COc1ccc(-c2nnc3sc(-c4ccc(C)cc4C)nn23)cc1 8715075 PGKZSXDPQMFMER-UHFFFAOYSA-N 336.420 4.145 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccs1 8753070 MRCSXRWSNLLQMS-GFCCVEGCSA-N 328.462 4.292 0 40 EIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)CC(C)(C)C)ccc21 8958942 JYVPNVUCRUWPJT-UHFFFAOYSA-N 346.471 4.223 0 40 EIAB O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC1CC1 9523659 RHJJLHDQFFXQSC-UHFFFAOYSA-N 338.838 4.164 0 40 EIAB Oc1cc(CSc2nc3ccccc3s2)nn1-c1ccccc1 10157329 GPHCZHLJPRSKMJ-UHFFFAOYSA-N 339.445 4.480 0 40 EIAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 10340402 OPAPWNLHGCJZSF-NRFANRHFSA-N 349.478 4.062 0 40 EIAB CCOC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C 10383656 ABQYDOOKNPDUNE-UHFFFAOYSA-N 326.183 4.012 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 10677224 ZMXSHBWPQXHDEA-GOSISDBHSA-N 329.465 4.041 0 40 EIAB Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl 11128932 JETPGNTWLFJZQM-KRWDZBQOSA-N 332.806 4.219 0 40 EIAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@]5(CO5)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 12654022 AKWAWNXESMOSLR-JSQCKWNTSA-N 328.452 4.037 0 40 EIAB biogenic O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCCC1 12901632 MJHRXRKSWMVDNP-UHFFFAOYSA-N 336.366 4.384 0 40 EIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2cc(F)ccc2[nH]1 12944525 KPZAJDFFNZNPFG-UHFFFAOYSA-N 344.361 4.117 0 40 EIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1Cl 13000590 OMEKHCRSICFMMX-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3ccc(C)cc3)c2C1 14164157 GZMRDISOQMZXRR-MRXNPFEDSA-N 346.430 4.410 0 40 EIAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CCC1 14244904 UZLZDRACOYWNIA-UHFFFAOYSA-N 334.213 4.125 0 40 EIAB CCCCc1nnc(NC(=O)COc2ccccc2C(C)C)s1 14660743 DRUFKTJYCPVVID-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C(C)C 16780044 JOACTTDMLJGZNA-RHSMWYFYSA-N 339.501 4.066 0 40 EIAB Cc1c(C)c(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1C 17071741 BCOXVWXSYGRXES-UHFFFAOYSA-N 343.492 4.370 0 40 EIAB Cc1nc2ccc(NC(=O)[C@@H](C)n3ccnc3C(C)C)cc2s1 19286585 OTGRUKOPFGYUAX-LLVKDONJSA-N 328.441 4.124 0 40 EIAB C[C@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccccc1F 27486655 ZUMZQJJAXSTYHM-ZDUSSCGKSA-N 341.411 4.131 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)c1 28228461 BNOABDXGQPOOSW-GFCCVEGCSA-N 344.411 4.458 0 40 EIAB O=C(CCCc1nnc(-c2ccccc2)o1)NC1CCCCCCC1 32488342 ITYLCQINDCMFET-UHFFFAOYSA-N 341.455 4.288 0 40 EIAB Cc1ccccc1CNC(=O)[C@@H](C(C)C)n1c(C)nc2ccccc21 40152598 CGCFSAOMDSSNES-HXUWFJFHSA-N 335.451 4.167 0 40 EIAB Cc1ccc(OCC(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1C 42622130 AJZZHWYRBWCQLQ-QFIPXVFZSA-N 347.414 4.410 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)c1cccc(Br)c1 45888790 URTBENYBFRTHGQ-UHFFFAOYSA-N 333.229 4.154 0 40 EIAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccccc1 57316020 KYYXQTWFBIXIKL-ZRDIBKRKSA-N 346.386 4.492 0 40 EIAB Cc1cnc(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)s1 57993306 PXCNHFONDZOZQP-UHFFFAOYSA-N 329.469 4.473 0 40 EIAB CC(C)OCc1cccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)c1 58172872 PLTLMWPCIJNWRF-ZDUSSCGKSA-N 348.393 4.329 0 40 EIAB Cc1cc(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c2ccccc2n1 58356830 PJOHIHRPUIPCEB-KKSFZXQISA-N 346.430 4.145 0 40 EIAB CC(=O)Nc1cccc2c1N(Cc1cccc3cccnc13)CCC2 64430823 MLIWXNGXIGVIMK-UHFFFAOYSA-N 331.419 4.146 0 40 EIAB CCN(C(=O)Nc1cnc2c(cnn2C(C)C)c1)C1CCCCC1 65551944 QPBQSUPVWLUAPQ-UHFFFAOYSA-N 329.448 4.199 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1 69327100 WHBXSBHMXCHYER-HOCLYGCPSA-N 328.843 4.157 0 40 EIAB CC(=O)N(C)Cc1cccc(NC(=O)N(C)CCC2CCCCC2)c1 69580577 KYYBWYFHRRULLQ-UHFFFAOYSA-N 345.487 4.099 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1C(C)(C)C 69844801 BHGCHMVFTBJBFN-GFCCVEGCSA-N 328.460 4.217 0 40 EIAB CN(Cc1ccsc1)S(=O)(=O)c1ccccc1-c1ccccc1 69980666 QXFBOACEWIJYSZ-UHFFFAOYSA-N 343.473 4.236 0 40 EIAB COc1cccc(OC)c1[C@@H]1CCCN1C(=O)OCc1ccccc1 72221415 ZSMHWZVDSCFWDF-INIZCTEOSA-N 341.407 4.178 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@H](CSC)c1ccccc1 77282315 GIPGOGMHQSXLPA-GOSISDBHSA-N 344.480 4.449 0 40 EIAB COc1ccc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC 78420590 KUOQEPMQMAWIOY-IBGZPJMESA-N 339.439 4.067 0 40 EIAB C[C@H](NC(=O)Cc1cc(F)ccc1F)c1nc(C(C)(C)C)cs1 80087564 ZISOTQHLYAQVJZ-JTQLQIEISA-N 338.423 4.139 0 40 EIAB CCc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)s1 83825497 QHJOOPACGUBVCD-UHFFFAOYSA-N 328.462 4.364 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2occc21 84139862 SXHQZKIYUHVSJJ-HNNXBMFYSA-N 333.815 4.284 0 40 EIAB CCCCCCCCCCCCC/C=C\[C@H](O)[C@H](CO)NC(C)=O 85565725 BLTCBVOJNNKFKC-DQWKBAPTSA-N 341.536 4.102 0 40 EIAB CO[C@H](CNC(=O)/C=C/c1ccccc1Cl)c1ccccc1C 96104978 RTXTXENWNLYZDD-IENJSVCTSA-N 329.827 4.166 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3CC)N21 222718607 AJVIWDBHCLEBAW-JCGIZDLHSA-N 340.496 4.191 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccco1 222982175 XTYVDABJTIHLBW-GOSISDBHSA-N 347.480 4.103 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(Cl)cc1F 224312454 NEZIOFZFWOIRIK-UHFFFAOYSA-N 328.170 4.322 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccccc1OC 224777040 MNEZLAAKUJOBQN-APWZRJJASA-N 341.451 4.347 0 40 EIAB O=C(Cc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1 225232675 NUAUGSTUHRYHKC-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)c1C 225466452 VVVHTFAUTDQSFS-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Cc1ccc(SCCCNC(=S)Nc2cccc(C)n2)cc1 225589098 GEPQTAVLBRPKGK-UHFFFAOYSA-N 331.510 4.167 0 40 EIAB S=C(NCCOc1ccccc1Cl)Nc1ccc(Cl)cc1 225779403 GFXYSAZRPALBQN-UHFFFAOYSA-N 341.263 4.359 0 40 EIAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccccc2)c1 226240728 ZXVOVOHDFUNCAP-UHFFFAOYSA-N 336.357 4.154 0 40 EIAB CC(C)(C)C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257255087 KGBCLYILXLPSET-INIZCTEOSA-N 330.403 4.114 0 40 EIAB CCSc1ccccc1C(=O)NC1(c2cccs2)CCOCC1 390829445 YUTDTXSEGLRRDL-UHFFFAOYSA-N 347.505 4.296 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1Cl 408585899 KRUMCJGWKOYPIM-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB Cc1nc2ccc(OC(=S)N3c4ccccc4C[C@@H]3C)cc2nc1C 408735996 ZKFAVCWKYJEIFA-LBPRGKRZSA-N 349.459 4.362 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1ccccc1Cl)c1ccccc1 408977998 GPAGHNKCAMELPH-INIZCTEOSA-N 346.814 4.156 0 40 EIAB FC(F)(F)c1cccc(OCCCCSc2cnccn2)c1 573745170 HGARIYFLZUZYOF-UHFFFAOYSA-N 328.359 4.447 0 40 EIAB COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cc(C(C)C)on1 622728895 NFRICGUSPPERRJ-OAHLLOKOSA-N 342.439 4.282 0 40 EIAB Cc1cccc(C2(C(=O)O)CCN(Cc3ccc(Cl)s3)CC2)c1 1616036401 SVWFUXXGMPRODB-UHFFFAOYSA-N 349.883 4.328 0 40 EIAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)[C@@H]2CC=CCC2)C1 1889149124 ROTHRTNXEBXKFO-OAHLLOKOSA-N 337.467 4.073 0 40 EIAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 35631 FCZUCKOBWXXMLL-UHFFFAOYSA-N 349.839 4.319 0 40 EIAB Cc1ccc(C(=O)N2C(=O)[C@H](c3ccccc3)Oc3ccccc32)cc1 69377 UGBCOLSYAACMKM-FQEVSTJZSA-N 343.382 4.302 0 40 EIAB COc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 98128 QCGYQXYRANAOSN-UHFFFAOYSA-N 328.371 4.061 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1OCC 147422 STRAJJLVNMCXMU-NTUHNPAUSA-N 341.407 4.145 0 40 EIAB Fc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 531225 KTMXCDZTOSOCSP-HZPDHXFCSA-N 328.778 4.217 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 567012 VQQISXHLRTZYRS-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB CCCN(C(=O)c1ccco1)c1nnc(-c2cccc(C)c2)s1 1345437 OJXATFGGBNXJRC-UHFFFAOYSA-N 327.409 4.163 0 40 EIAB O=C(O)CC1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1 1498905 XHBSJZIFETXMSE-UHFFFAOYSA-N 330.211 4.357 0 40 EIAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1COc2ccccc2O1 3292682 YOAWZACDSSBTPW-NRFANRHFSA-N 345.398 4.056 0 40 EIAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccco1 5855054 OQAXMHHEAJXWPZ-UHFFFAOYSA-N 345.354 4.468 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 5965436 FIAWMMJQYLRGSE-JTQLQIEISA-N 340.206 4.408 0 40 EIAB O=C(CCCSc1nc(-c2cccs2)n[nH]1)c1cccs1 6035340 OKMJLXAVVIMJJP-UHFFFAOYSA-N 335.479 4.350 0 40 EIAB O=C(CSc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 6123855 GMYBQHSDDXDTEG-UHFFFAOYSA-N 340.275 4.444 0 40 EIAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(OC(F)F)cc2)c1 6329469 PZZSNOJTUCEWSP-UHFFFAOYSA-N 335.350 4.312 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(N(C)C)c12 6570115 GQJHTRICOUDYLV-UHFFFAOYSA-N 325.364 4.048 0 40 EIAB CC(C)[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1cccs1 7122467 ZWCBPMWVJOZYNS-GOSISDBHSA-N 342.464 4.002 0 40 EIAB COc1ccccc1CN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 7737460 OGLXMLXCIWWXGB-UHFFFAOYSA-N 337.419 4.050 0 40 EIAB Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1cccs1 7890020 KOWIAUUDGQBQLI-FQEVSTJZSA-N 337.444 4.341 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2Br)c1 8041714 XUZVKVPFFCAUPJ-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 8722986 KZPIXMHWYJAKCS-UHFFFAOYSA-N 340.206 4.271 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1 9063066 QHKUNQAVOIJHEQ-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 10143593 XZJFMPOAGHZQFJ-HYFFIUAVSA-N 347.480 4.091 0 40 EIAB O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 12119104 QOUMHGOUPLVFOZ-MRXNPFEDSA-N 342.826 4.085 0 40 EIAB Cc1cc(F)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12863099 LMXZFOKLVUGNEG-UHFFFAOYSA-N 325.383 4.224 0 40 EIAB C[C@@H](CCc1ccco1)NC(=O)COc1ccc(Cl)cc1Cl 12911701 YDWLUFZFHJNEMF-NSHDSACASA-N 342.222 4.103 0 40 EIAB Cc1ccc(C)c([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 12930694 HKVMECSBZKQILW-MGPUTAFESA-N 340.442 4.113 0 40 EIAB CC[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 12933026 QSPRCYNLGQEUDT-AEFFLSMTSA-N 329.827 4.219 0 40 EIAB CCCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cccc(F)c21 13283968 VDZZWMFREJZGGJ-BPYFUBPNSA-N 340.423 4.393 0 40 EIAB COc1ccc(-c2nnc(CN3CCC[C@@H]3c3cccs3)o2)cc1 14199158 RLKSFCWWYXCZKJ-OAHLLOKOSA-N 341.436 4.144 0 40 EIAB S=C(NCc1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1 18138514 FPMNPADJBCFBEB-UHFFFAOYSA-N 348.431 4.105 0 40 EIAB CSc1ccccc1NC(=O)c1sc(-c2cccnc2)nc1C 22237558 LGKDXJHQPYNFKA-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB Cc1cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)on1 24838272 BSYQVHNLJXYHDY-UHFFFAOYSA-N 341.364 4.160 0 40 EIAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1 28250121 CMSNBQHYFRMJGY-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB CSc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 30938134 WFBAYLZXYMDHQY-UHFFFAOYSA-N 337.448 4.214 0 40 EIAB CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1C 32753818 JQLYSOMNMPPCOU-UHFFFAOYSA-N 345.826 4.015 0 40 EIAB COc1ccc(CCS[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1 32854108 VXNRKFOHYPEQIF-CQSZACIVSA-N 345.464 4.007 0 40 EIAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[C@@H]3CCCCO3)c2C1 32964020 DDMJMHYIUTXHRB-CABCVRRESA-N 339.435 4.086 0 40 EIAB Fc1cc(Cl)ccc1-c1nnc2sc(-c3ccsc3)nn12 36353869 XWCOUZRWAUFZQB-UHFFFAOYSA-N 336.804 4.374 0 40 EIAB Cc1cc(C)cc(NC(=O)c2sc3nc(C)nc(C)c3c2C)c1 36714527 MPQZRJZPTKLLSH-UHFFFAOYSA-N 325.437 4.486 0 40 EIAB Cc1c(C(=O)Oc2cccc3cccnc23)cnn1-c1ccccc1F 40047136 HJYVGZBYFBIDEA-UHFFFAOYSA-N 347.349 4.087 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1ccccc1CN1CCCC1 43211597 CXXHADIHCLKMME-UHFFFAOYSA-N 345.483 4.369 0 40 EIAB COc1ccc2cc(CN(C)[C@@H](C)c3nc(C4CC4)no3)ccc2c1 48234234 PQTPFLWWVKQXBK-ZDUSSCGKSA-N 337.423 4.302 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)[C@@H](c1ccccc1)n1cccc1 49030868 SVJJPDRVRHKMOY-QGZVFWFLSA-N 337.448 4.052 0 40 EIAB CC(C)CCO[C@H](C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 57986725 VHAMECMBCCZDPF-OAHLLOKOSA-N 334.460 4.061 0 40 EIAB Cc1n[nH]c(-c2ccccc2NC(=O)C[C@H](C)c2ccc(F)cc2)n1 58225380 OGAQKSDEWRFRFW-LBPRGKRZSA-N 338.386 4.052 0 40 EIAB CC(=O)c1sc(NC(=O)c2cnc(C)s2)nc1-c1ccccc1 58329376 ORYMLSKASRDNII-UHFFFAOYSA-N 343.433 4.030 0 40 EIAB CCc1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)cc1 59471927 JSBUWJBCUSDVJA-FMIVXFBMSA-N 329.827 4.111 0 40 EIAB Cc1noc([C@@H](C)NC(=O)Nc2ccccc2SC2CCCC2)n1 69631490 AENBVWRILAKRNH-LLVKDONJSA-N 346.456 4.295 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 71195092 FRWFBEWLRHKZRO-LLVKDONJSA-N 333.457 4.151 0 40 EIAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1 72329153 BZSIAEMAWXIFGZ-UHFFFAOYSA-N 333.435 4.132 0 40 EIAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@H](O)c1ccc(F)cc1 78673086 RNYSWRHGNRINSN-SDBXPKJASA-N 348.727 4.427 0 40 EIAB COc1ccccc1CNC(=O)Cc1cn(C(C)C)c2ccccc12 79493520 ABHCLPCWTABEPC-UHFFFAOYSA-N 336.435 4.090 0 40 EIAB Cc1cc(N(C)C)cc(C)c1NC(=O)c1csc(C(C)(C)C)n1 84086198 DEQHCHVFCIUJNB-UHFFFAOYSA-N 331.485 4.376 0 40 EIAB C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1 95420350 LBNNGXYOAXEMNQ-MRXNPFEDSA-N 328.419 4.271 0 40 EIAB Cc1nc([C@H](N[C@@H]2CCSc3ccccc32)c2ccccc2)n[nH]1 95421722 YAKJTIOGGFUHPK-SJLPKXTDSA-N 336.464 4.029 0 40 EIAB Cc1noc(C)c1CSCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 96441247 SMEIMSWNNQRPLP-MLGOLLRUSA-N 348.468 4.117 0 40 EIAB Cc1cccnc1CNC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 96447344 WOSCYDYHNBJYFL-MRXNPFEDSA-N 346.434 4.012 0 40 EIAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1C[C@H]2CC[C@H](C1)N2C 100047636 JUCATHYIAFFXBH-RTBURBONSA-N 328.500 4.171 0 40 EIAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 216263207 KTZZCTMRLQHWFA-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB Cc1ccc(SCCNC(=O)c2ccccc2OC(C)C)cc1 219731373 YKZLGWYVYWOUTE-UHFFFAOYSA-N 329.465 4.304 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc2ccccc2c1 222836805 GSGHOJUACUHKJM-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)NCCOc2ccccc2)cc1 224039243 BLJCRMJGGVSGTG-UHFFFAOYSA-N 325.452 4.112 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OC 224415160 GTJZURGOWSCYFV-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1 224684977 LXBAGMIIWYJDST-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1 224685872 IMLJHHIPLGXPJI-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)OCc1ccccc1 225092905 FUCLQBJAIWTXBC-HNNXBMFYSA-N 325.191 4.206 0 40 EIAB O=C1CCCN1c1ccc(NC(=S)NC2CCCCCCC2)cc1 225517872 CZOXIYRJDZNARV-UHFFFAOYSA-N 345.512 4.213 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccccc1OC 225568250 BVFHQXBQJGBSNJ-GUYCJALGSA-N 347.842 4.383 0 40 EIAB CCOCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1 225716789 QDZORWLZKJCHNB-JXFKEZNVSA-N 349.471 4.026 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2(C3CC3)CCCC2)c1C 225863947 PNXYTFCRDZHEHB-UHFFFAOYSA-N 346.496 4.181 0 40 EIAB O=C(O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 299852485 SSCPWBQRZHGEDI-UHFFFAOYSA-N 332.346 4.056 0 40 EIAB CCCCOc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 408574889 MZWKPQIMNIAOLW-UHFFFAOYSA-N 343.448 4.060 0 40 EIAB COc1ccc(CC2CCN(C(=O)C3CC4(CCC4)C3)CC2)cc1 573804607 JSAGGHSVVYHAIE-UHFFFAOYSA-N 327.468 4.057 0 40 EIAB O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccoc2)c1 575620094 KLNTVAPJHJKQRT-UHFFFAOYSA-N 342.398 4.354 0 40 EIAB Clc1cnccc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 578388464 APSYKUIKZUOQGL-OAHLLOKOSA-N 332.835 4.113 0 40 EIAB O=C1c2cccc3c(-n4cccc4)ccc(c23)C(=O)N1c1ccccc1 618255082 TZVHKBUODRECJP-UHFFFAOYSA-N 338.366 4.431 0 40 EIAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(C)c1 71584 AYFSWYWVSKJASK-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccc(C(=O)c2ccccc2)cc1 364358 PDFYMWFEXLZQOH-UHFFFAOYSA-N 333.362 4.238 0 40 EIAB C[C@H](C[C@@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl 376863 WEGRZIRJQQGVAM-NXEZZACHSA-N 344.238 4.300 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)c3ccccc3F)o2)cc1 417808 PPUVYICMUNKHBG-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB COc1cc(C=O)ccc1OC(=O)Nc1ccc(Cl)c(Cl)c1 501753 AFSWNGDNKQGESN-UHFFFAOYSA-N 340.162 4.425 0 40 EIAB CCOc1ccc(Br)cc1/C=C1/C(=O)Nc2ccccc21 555637 BKIVBSHNLOPQGO-GXDHUFHOSA-N 344.208 4.341 0 40 EIAB Cc1ccc(C)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 2123859 XDFJOSVHLQDONL-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB biogenic Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 2234028 UWXFWBNZLJPBOY-UHFFFAOYSA-N 337.206 4.187 0 40 EIAB Cc1ccccc1Cn1cnc2scc(-c3ccccc3)c2c1=O 4117928 LRIAGGFAMRILFM-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB CCN(C(=O)COC(=O)c1cccs1)c1cccc2ccccc12 5699280 YMGDLMQXGLPSIZ-UHFFFAOYSA-N 339.416 4.111 0 40 EIAB COc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OC 6170017 NWORMCCWUDYHML-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1cccc(F)c1 6559348 IJAHLAXKZZBAGP-LLVKDONJSA-N 338.785 4.077 0 40 EIAB O=C(O)c1ccc(COC(=O)c2ccccc2Nc2ccccc2)cc1 6757133 KLFQYHAQSQGNFS-UHFFFAOYSA-N 347.370 4.485 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 7146489 ZRVQMRHSOJARBX-CQSZACIVSA-N 331.456 4.499 0 40 EIAB Cc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cs1 7918312 BUMVWXZMCRRVAT-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1 7972900 ZOGYYVNRPWSYQZ-UHFFFAOYSA-N 328.721 4.409 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCCc3ccco3)c3ccccc3n2)o1 8134033 WGXVPOSIZLNGCZ-UHFFFAOYSA-N 346.386 4.369 0 40 EIAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1 8654810 YSFYAZLRBBJYQC-LJQANCHMSA-N 342.870 4.297 0 40 EIAB CCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 9907323 KHSBSWHXRNDNTK-UHFFFAOYSA-N 325.452 4.455 0 40 EIAB O[C@@H](CSc1nnc(NC2CCCCC2)s1)c1ccccc1 10308021 PZQHBCKQUNNGLH-AWEZNQCLSA-N 335.498 4.108 0 40 EIAB COc1ccc(/C=C(/C(=O)N2CCC[C@@H](C)C2)c2ccccc2)cc1 10541067 YSGGIVYPVYKEFE-WNSCPLKPSA-N 335.447 4.494 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(F)c(F)c2)N1CC(F)(F)F 12543544 WTQHODFJYOGBLG-CQSZACIVSA-N 342.267 4.094 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl 12607081 JWTGNRKJIYTHFL-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB C[C@@H](OCCCNC(=O)c1cc(Cl)ccc1F)c1ccccc1 12896051 HNSQSQQUDCDQRX-CYBMUJFWSA-N 335.806 4.377 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc2ccccc2c1 15306409 YQZUQXJAGJQTOU-GOSISDBHSA-N 346.474 4.491 0 40 EIAB COc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1C 16064374 PBVBZPWWPYNBTD-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB COc1ccc(N2C(=O)[C@H]3CC4=C(C[C@H]3C2=O)C(C)(C)CCC4)cc1 18128653 KRACRVVHXOTNTQ-DLBZAZTESA-N 339.435 4.101 0 40 EIAB biogenic Cc1nc(C)c(C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)s1 19560338 VLLZCVFWLVLISA-MHORFTMASA-N 340.492 4.462 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412156 LXGCVZQVAMBTIH-OUKQBFOZSA-N 339.391 4.421 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1 20455864 LIGVXNBQSJLKJU-GOSISDBHSA-N 343.492 4.202 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1Cl 20489203 FCDGAMJQQBUEDV-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB Cc1cc(C)c(-c2nc(NC(=O)C3CCOCC3)sc2C)cc1C 23271768 TWQLMPIZQDFCLM-UHFFFAOYSA-N 344.480 4.409 0 40 EIAB O=C(NCCC1=CCCCC1)c1cc(Br)ccc1F 25183922 ZOYDBTHAUKHNPS-UHFFFAOYSA-N 326.209 4.209 0 40 EIAB O=C(CSc1ncnc2ccsc12)c1ccc2c(c1)CCC2 26959870 GNNXQLYPNLHNMM-UHFFFAOYSA-N 326.446 4.155 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc2c(c1)OCO2 27689696 LSXMEODRYPMHFA-HBIYDYFMSA-N 345.398 4.459 0 40 EIAB Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)nc1 27983588 ZUCMJLZCSZZJCC-UHFFFAOYSA-N 344.317 4.093 0 40 EIAB C[C@H]1CC(=O)N(CCOc2cccc3ccccc23)c2ccccc2N1 31903337 YDQBAVNQTMLJLT-INIZCTEOSA-N 346.430 4.456 0 40 EIAB Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)no1 32736073 SJOBATPHLCTUHA-UHFFFAOYSA-N 337.109 4.144 0 40 EIAB Cc1ccc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 32754412 WEHCBKAYTSEJOD-OAHLLOKOSA-N 325.437 4.444 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)n1 32818666 MVYHGTSCIPDMRW-UHFFFAOYSA-N 328.375 4.186 0 40 EIAB Cc1cccc2c1N(C(=O)c1cnc3onc(C(C)C)c3c1)CCC2 32882486 CLIZJIRXPGFNTG-UHFFFAOYSA-N 335.407 4.248 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c(C)c1 39772916 BIAQLWHHZFHHRK-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccco1 39978547 XMWLUHQDAGOLQA-ZJUUUORDSA-N 328.195 4.231 0 40 EIAB O=C(CCCc1cccs1)Nc1nc(-c2ccccc2)ns1 42090802 WALNWGCHXVAMMU-UHFFFAOYSA-N 329.450 4.228 0 40 EIAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 44085304 RIFGZFKKKSHXLG-UHFFFAOYSA-N 338.432 4.195 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2cccs2)SC1 44921654 NCMWNKHDVMHEBW-HNNXBMFYSA-N 327.434 4.358 0 40 EIAB Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)Cc2ccc(O)cc2)c1 56771210 CXGZNKKMPTUPET-OXJNMPFZSA-N 338.451 4.178 0 40 EIAB O=C(NCCc1ncc(-c2ccccc2)[nH]1)Nc1ccccc1Cl 65565273 YMVCFUUMCLLADI-UHFFFAOYSA-N 340.814 4.094 0 40 EIAB C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)c1cc(F)ccc1F 69623593 IPPLZUPOWGIPRC-QMMMGPOBSA-N 326.368 4.009 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2cccc(SC)c2)c1 71761318 GEDMFMVUQRHFNZ-UHFFFAOYSA-N 332.450 4.004 0 40 EIAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cccc(Oc2ccccc2)c1 71796283 OSJHUARZPKNKAW-OUKQBFOZSA-N 347.418 4.481 0 40 EIAB O=C(NC(c1cccs1)c1cccs1)[C@H]1C[C@H]1c1cccnc1 71915263 AZGHLNJRCXUBQZ-KBPBESRZSA-N 340.473 4.214 0 40 EIAB COCc1ccccc1C(=O)NC(c1cccs1)c1cccs1 71915272 JIOMLZKWQQZSFT-UHFFFAOYSA-N 343.473 4.475 0 40 EIAB CCCNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213190 UTVOUZQALFYFNQ-GOSISDBHSA-N 339.439 4.377 0 40 EIAB CCN(CC)[C@@H](CNc1ncccc1C(F)(F)F)c1ccco1 78612968 IRGOUBPDCGUZQM-ZDUSSCGKSA-N 327.350 4.188 0 40 EIAB CN(C(=O)CNc1ccccc1N(C)C1CCCC1)c1ccccc1 83869566 RBGWNZXFIYWMSA-UHFFFAOYSA-N 337.467 4.140 0 40 EIAB CC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1cccs1 97033486 IBUXCUADNFSHFS-UONOGXRCSA-N 332.473 4.086 0 40 EIAB Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@H](C)c1nccs1 97113498 WTBYUYJSDLLVNG-GFCCVEGCSA-N 342.424 4.032 0 40 EIAB O=C1O/C(=C\NOCc2c(Cl)cccc2Cl)c2ccccc21 100403894 ZPWRKBXYYSMKLX-NVNXTCNLSA-N 336.174 4.184 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccccc1Cl 223385715 ZFYLINQGNCSJTM-JXMROGBWSA-N 336.218 4.202 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224183804 STCYWDFGQUBWLW-SFHVURJKSA-N 347.842 4.001 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2cccc(Cl)c2)cc1 225608668 AECMTTHANKYVGY-GOSISDBHSA-N 345.870 4.491 0 40 EIAB O=C(CCc1ccccc1F)NCc1cccnc1-c1ccsc1 225646017 WTKSGZWDMZDEIS-UHFFFAOYSA-N 340.423 4.198 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)c(C)cc2C)c1 225653916 SPNYHXHDPWRFTO-OAHLLOKOSA-N 327.424 4.120 0 40 EIAB CCOC(=O)C[C@H]1CC[C@H]2[C@H](O1)c1cc(Cl)ccc1OC2(C)C 257315365 VBADOJKLBQFLJY-HACGYAERSA-N 338.831 4.301 0 40 EIAB CCO[C@@H](C)c1ncc(-c2nc(-c3ccc(F)c(OC)c3)no2)s1 390833679 LIAXIDMQOHISQU-VIFPVBQESA-N 349.387 4.105 0 40 EIAB O=C(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCCCC1 408720982 CDGRFVXMZZLFOA-UHFFFAOYSA-N 343.430 4.437 0 40 EIAB Cc1cccc(N2C(=N)S/C(=C\c3ccc(F)cc3)C2=O)c1C 408843405 MGBXNTSWTWNWGF-UDIJICLVSA-N 326.396 4.498 0 40 EIAB CSCc1cccnc1C(=O)N1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C 602421365 KTEMUISDVGZOHI-NQBHXWOUSA-N 346.418 4.136 0 40 EIAB CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 26236 IPFOWEUMNGCEDZ-GFCCVEGCSA-N 343.254 4.113 0 40 EIAB CCc1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1 148505 BCJDUTAOMMFXHB-UHFFFAOYSA-N 345.468 4.166 0 40 EIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NC2CCCCC2)c1 427369 OAIHMFOHNNZDFH-UHFFFAOYSA-N 343.496 4.030 0 40 EIAB CCOc1ncccc1C(=O)OCc1c(Cl)cccc1Cl 3342140 NQYGLFPGPCTHFG-UHFFFAOYSA-N 326.179 4.144 0 40 EIAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12 4242445 GBGHPBLFPPWVIY-VIFPVBQESA-N 333.796 4.311 0 40 EIAB C[C@@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 4416837 XILWIKWHCRBAJH-HOJAQTOUSA-N 327.468 4.012 0 40 EIAB CC(=O)CCc1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 5186906 QDYWVLDXDPIZOO-UHFFFAOYSA-N 328.799 4.088 0 40 EIAB O=C(COc1ccc(Cl)cc1)N[C@@H]1CCSc2ccccc21 5425689 QOFKFFCCOUEDIH-OAHLLOKOSA-N 333.840 4.072 0 40 EIAB CCOc1cccc(NC(=O)c2ccc(Br)cc2F)c1 6355721 NSCZLUWEAOFZRV-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1cccc(SC)c1 6974788 WGWZWRMWDVBZMT-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB Cc1cc(-c2nnc(CSc3ncnc4sccc34)o2)c(C)o1 7214332 JYQYDLLFPGIZNY-UHFFFAOYSA-N 344.421 4.243 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C(C)C 7360956 AUVPTXJOIXHRPC-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB CCN(Cc1ccccc1)Cc1c(C)nc2ccc(N(C)C)cc2c1O 8572574 QAKLMFLUPOYDIG-UHFFFAOYSA-N 349.478 4.337 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccc(C)cc3)no2)cc1 9196460 XSARGVHTTMROCV-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Cc1ccsc1-c1nnc2sc(/C=C/c3cccs3)nn12 12321507 UGCJGBOZUGXYSP-SNAWJCMRSA-N 330.463 4.455 0 40 EIAB CCCOc1c(OCC)cccc1[C@@H]1NC(=O)c2cccc(C)c2N1 12727835 NXKULDMSJRPHLM-IBGZPJMESA-N 340.423 4.037 0 40 EIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 12760493 VZLDGUGQPUVKAQ-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3F)ccc2c1 14244472 GMECELKQGFEZNO-CQSZACIVSA-N 337.394 4.407 0 40 EIAB CSc1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 14678845 XXPXAKQCGWLMMM-UHFFFAOYSA-N 347.308 4.285 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H](C)c1ccccc1 18005023 HRXJJJXSCRTMGL-LLVKDONJSA-N 344.263 4.341 0 40 EIAB COc1cccc(-c2ccc([C@H]3CN(CC(C)(C)C)CCO3)nc2)c1 19692523 KXKKFRFWTRPHFO-HXUWFJFHSA-N 340.467 4.177 0 40 EIAB Cc1nc(-c2cccs2)c(CCC(=O)NCc2ccccc2)s1 19819624 RSDLBCFYNHRXEI-UHFFFAOYSA-N 342.489 4.429 0 40 EIAB COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](C)C2 20671940 RHFWTBFIFUGKPX-AWEZNQCLSA-N 347.418 4.390 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)s1 22131222 HDARSQNHWWAULR-JTQLQIEISA-N 348.493 4.239 0 40 EIAB Cc1cc(COC(=O)c2ccc3noc(-c4ccccc4)c3c2)on1 24509449 GXKCIIGUWTUHQP-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB Cc1ccc2c(CC(=O)Nc3cccnc3)c(Br)oc2c1 27587544 MZGSLDBDFBZAPY-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB C[C@@H](NC(=O)CSc1ccccc1)c1ccc(-n2cccc2)cc1 28221054 WSHSZUQSGRXVJC-MRXNPFEDSA-N 336.460 4.447 0 40 EIAB O=C(NCc1cccc(CN2CCCC2)c1)Nc1cccc(Cl)c1 31664302 FQJJNAPNPKIABX-UHFFFAOYSA-N 343.858 4.258 0 40 EIAB COc1ccc(COc2cccc(OCC3CC3)c2C(C)=O)cc1 34028484 NDMGGAITAQQECE-UHFFFAOYSA-N 326.392 4.266 0 40 EIAB O=C(O)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c12 36617506 JLLYYCXOJITADG-UHFFFAOYSA-N 334.306 4.394 0 40 EIAB COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)c(OC)c1OC 40007497 DMJJXCZPWRZWFS-ZDUSSCGKSA-N 333.403 4.045 0 40 EIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1cccs1 40016137 JWFNUHDONXKBJV-UHFFFAOYSA-N 342.386 4.151 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478415 GTKCZHJTWPSSNC-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB COCCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 41294312 INXFSVKCLHVPFI-UHFFFAOYSA-N 343.427 4.023 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(C)nc2)cc1 47623746 RLPLTBALCIUCTG-HXUWFJFHSA-N 338.451 4.085 0 40 EIAB CCN(C(C)=O)c1nc(CN2CCC[C@H]2c2ccccc2C)cs1 48251746 SOCSJKHAULOLBS-SFHVURJKSA-N 343.496 4.161 0 40 EIAB CCn1cc(NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 51190197 SRPWYUNVPXTAGX-UHFFFAOYSA-N 341.242 4.267 0 40 EIAB Oc1ccc(CCNc2nc(-c3ccncc3)nc3ccccc23)cc1 54389147 HEAWVGKRUVDPMZ-UHFFFAOYSA-N 342.402 4.052 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 58195256 MMHVDLGECVANQP-NWDGAFQWSA-N 332.787 4.024 0 40 EIAB O=C(Nc1cccnc1-n1cnc(Cl)c1Cl)C1CCCCC1 61720354 SUUAGVVHWKNFBS-UHFFFAOYSA-N 339.226 4.093 0 40 EIAB O=C(c1ccccc1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 71805040 UZURYFZMIRKQEQ-NHCUHLMSSA-N 335.447 4.061 0 40 EIAB CC[C@@](C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12 72286878 KBBNKKWQDFBKLT-OAHLLOKOSA-N 328.334 4.015 0 40 EIAB Cc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(C)s2)on1 72337386 RFJLXUHRDMXFAV-UHFFFAOYSA-N 326.425 4.077 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 75283912 JRGCCWQXAMFKIY-UHFFFAOYSA-N 346.430 4.307 0 40 EIAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1O 76276213 JHBPRGKEMJJSCZ-UHFFFAOYSA-N 336.229 4.474 0 40 EIAB Cc1nc(CN(C)[C@@H](c2cccnc2)c2ccc(F)cc2F)oc1C 95397242 AIVAOERLLGRHKY-IBGZPJMESA-N 343.377 4.186 0 40 EIAB CCC[C@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373970 CVNVHOYBHQEWMN-ZCPXKWAGSA-N 344.495 4.053 0 40 EIAB C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23CN1C 118936474 PBPLSRQRDBOFMK-YVCXWCFRSA-N 327.512 4.138 0 40 EIAB O=C1[C@H](SC2CCOCC2)CCN1c1ccc(Cl)cc1Cl 191210807 OJRVNRFIEDUGCT-CQSZACIVSA-N 346.279 4.011 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NC12CC3CC(CC(C3)C1)C2 216398670 BNXDNQVAAWEJJP-QQABJKMWSA-N 327.468 4.237 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1Cl 222573481 MSKWFJYUNUUKEK-CQSZACIVSA-N 343.854 4.303 0 40 EIAB COc1cccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 222792011 BBCQSMYMPCVOQV-UHFFFAOYSA-N 341.407 4.034 0 40 EIAB COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 222947297 XGBJSHFMZSRZHI-LLVKDONJSA-N 346.224 4.049 0 40 EIAB Cc1ccccc1[C@@H](NC(=S)Nc1cccnc1)c1ccccc1 225507796 MCUAWHVUQJIXBI-IBGZPJMESA-N 333.460 4.466 0 40 EIAB Cc1cc(C)c(C)c(C(=O)[C@H](Br)CBr)c1C 382686662 GERQYRRTJDDTOW-LLVKDONJSA-N 348.078 4.261 0 40 EIAB CCOc1ccc(-c2nc(O)c3c(C)c(C)sc3n2)cc1OC 408735845 YKGUTBFVSBWIIL-UHFFFAOYSA-N 330.409 4.088 0 40 EIAB Cc1ccc(OCCSc2nnc(C)n2-c2ccc(F)cc2)cc1 409090486 PRWFSINITBEQKV-UHFFFAOYSA-N 343.427 4.194 0 40 EIAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)cc3)n2C)cc1 409198590 IBPQVPPVSJEOMD-MRCUWXFGSA-N 336.460 4.420 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)NCc1ccccc1 413297 HUACRQMVSOYPHA-UHFFFAOYSA-N 336.460 4.206 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1Cl 496608 LNCYNWIANKBYAQ-WEVVVXLNSA-N 347.798 4.018 0 40 EIAB Cc1sc2c(c1C)CN(Cc1ccco1)CN2C(=O)c1ccco1 564608 MCJRCJMWHSJFDA-UHFFFAOYSA-N 342.420 4.171 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 3406320 WURMMZFTDJLJOB-UHFFFAOYSA-N 329.343 4.069 0 40 EIAB COC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4029851 CEZKLEHYJURHTB-OMKWMAHMSA-N 349.515 4.115 0 40 EIAB biogenic Cc1ccc(C)c(CSC2=NCCN2C(=O)Cc2cccs2)c1 4120338 CACOHGHGUBGPHM-UHFFFAOYSA-N 344.505 4.039 0 40 EIAB CCc1ccc(C(=O)[C@H](C)Sc2nc3ccc(OC)cc3[nH]2)cc1 4406437 NFWDUIOCGHMSFT-LBPRGKRZSA-N 340.448 4.497 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)s1 4947928 PBYPVETUPWMGKO-BPLDGKMQSA-N 338.469 4.217 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3)n2)cc1 5533080 PBFCLASQGPVYCT-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 6318752 CQIHIHNQTOXAEK-UHFFFAOYSA-N 342.464 4.067 0 40 EIAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccccc1 6391093 ZYLDHSIJXCOPFH-LLVKDONJSA-N 330.844 4.166 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1OC 6598975 CSAFKWLHJZSVFI-UHFFFAOYSA-N 327.424 4.399 0 40 EIAB CSc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 7053474 DWCKMURDQKLIAT-UHFFFAOYSA-N 347.383 4.228 0 40 EIAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1F 7878419 QOMBCYYQVCANRF-JTQLQIEISA-N 338.835 4.098 0 40 EIAB C[C@@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2ccccc2)o1 8708960 WSPLWCKNWLBPSI-CYBMUJFWSA-N 349.419 4.171 0 40 EIAB CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C 9185599 CEWUPTBMNJMAGI-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB CSc1nc2ccc(NC(=O)c3sc(C)nc3C)cc2s1 9477367 LBPIEQKIPTWPBQ-UHFFFAOYSA-N 335.479 4.344 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(F)cc(F)c1 10491330 KJBDCYHQYMRKCV-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB c1csc(CCNC2=NN=C(c3cc4ccccc4o3)CS2)c1 11127293 CDLDLVFCBJVUOG-UHFFFAOYSA-N 341.461 4.134 0 40 EIAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ncsc2c1 12409228 FFHHGSIKMVUTKW-LBPRGKRZSA-N 335.432 4.139 0 40 EIAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1 13284327 CWYHACBVENLPGV-UHFFFAOYSA-N 341.436 4.001 0 40 EIAB O=C(CCSCc1ccccc1)NCCSCc1ccccc1 13687934 YTQQIXATLQTTJE-UHFFFAOYSA-N 345.533 4.360 0 40 EIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCC1 14201609 PNZUEPIBBQHDRR-UHFFFAOYSA-N 340.373 4.278 0 40 EIAB Cc1cccn2cc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)nc12 14675998 NLWXVJFCZIMURE-GFCCVEGCSA-N 340.448 4.186 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(Cl)c1)NCC2 20506865 ZIJUKVHWGJPCTK-LJQANCHMSA-N 331.843 4.373 0 40 EIAB Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21170726 VSKHTSNEOFXCKY-FQEVSTJZSA-N 328.500 4.256 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C)cc1 22053791 CAZCFZNWKXVHHE-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB Cc1cc2c(cc1F)Sc1ccccc1C[C@H]2N1CCN(C)CC1 22865725 WDCMRUBHRJXTRJ-GOSISDBHSA-N 342.483 4.130 0 40 EIAB Cc1cc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)ccc1F 23625051 BLRLWLJVWHFYOR-UHFFFAOYSA-N 340.379 4.256 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 49547976 LICVOMVNZWXNST-CYBMUJFWSA-N 342.251 4.460 0 40 EIAB CCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1ccccc1C 58084990 BZMSTNCJNRFLQS-QGZVFWFLSA-N 328.481 4.247 0 40 EIAB Clc1nc2cc(Br)c(Br)cc2s1 59504493 BMIQIBYMSHYRSP-UHFFFAOYSA-N 327.428 4.475 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)cc1F 63790280 ORHYSMNFUUJVJO-LBPRGKRZSA-N 336.407 4.027 0 40 EIAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1cccc(C(F)(F)F)c1 72230405 HHSPNPDKQQZKQX-GFCCVEGCSA-N 349.418 4.266 0 40 EIAB CC(C)(CNC(=O)Nc1nc2c(s1)CCCC2)c1cccs1 72284984 WBMSTQVXSZSIPM-UHFFFAOYSA-N 335.498 4.183 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)CCc2ccccc2)cc1 72329191 WXAPCWLJQMAMKQ-MRXNPFEDSA-N 347.462 4.390 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2cccc(C)c2C)c(F)cc1F 75138327 LBRQNPVMCZDXSD-UHFFFAOYSA-N 333.338 4.184 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C 84671161 IAHRTAWQLDSBGB-RISCZKNCSA-N 346.496 4.475 0 40 EIAB C[S@@](=O)c1ccc(CNc2cccc(CN3CCCCC3)c2)cc1 89493222 WCGJYJRSNMDVDX-DEOSSOPVSA-N 342.508 4.022 0 40 EIAB O=C(Nc1ccccc1SCc1ccsc1)N1CCC[C@@H]1CO 95398614 SHJGLKJETMKPKU-CQSZACIVSA-N 348.493 4.029 0 40 EIAB CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(NC(C)=O)c1C 95414606 UXJNOCLXWKFSLI-SFHVURJKSA-N 332.444 4.020 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 100637183 DWXMVMPBFRTSFY-UZWSLXQKSA-N 340.236 4.143 0 40 EIAB CC(=O)OC[C@]12CO[C@@H](CCc3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100741055 FVFIDPRIGRPKRH-MLMGXCOMSA-N 342.479 4.416 0 40 EIAB biogenic O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCC[C@H]1c1nccs1 106912469 NKBIUORBGBHHAM-FMKPAKJESA-N 330.428 4.140 0 40 EIAB CC(C)n1cccc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 129089875 YKVQTUVGXNHJPR-AWEZNQCLSA-N 346.500 4.010 0 40 EIAB CO[C@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1Cl 206850253 ZVULQJGKBDZKCW-CQSZACIVSA-N 346.839 4.067 0 40 EIAB CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 216809858 FVMHDTOGJWGJJK-UHFFFAOYSA-N 338.762 4.243 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(C(C)C)c3)N21 222672702 PUBOYEXAIIQHAV-CGTJXYLNSA-N 340.496 4.443 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 224197962 BYGZIJGNDZMDDY-MGPUTAFESA-N 341.451 4.292 0 40 EIAB CN(C)c1ccc(N)cc1C(=O)Nc1ccccc1-c1ccccc1 226324261 SFOCNLDQJBBGGG-UHFFFAOYSA-N 331.419 4.254 0 40 EIAB C[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3s2)c1 226776781 QROWJKKTXLJOFJ-UHFFFAOYSA-N 340.653 4.204 0 40 EIAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OC 408735512 TWSWFPKRHYBDJI-UHFFFAOYSA-N 330.409 4.088 0 40 EIAB CC(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 409032603 JJLFTCCQXXCZTO-AQTBWJFISA-N 336.460 4.414 0 40 EIAB O=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)cs1 409194760 LZWSNJGCUNREPQ-QGZVFWFLSA-N 338.432 4.262 0 40 EIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCS[C@H]2CCCC[C@H]21 503429563 QQCJMUONQZUWKE-QRVBRYPASA-N 345.508 4.081 0 40 EIAB O=C(COC1CCCC1)NC1(c2c(Cl)cccc2Cl)CCC1 622561894 WXEUAWHPFIPPFX-UHFFFAOYSA-N 342.266 4.448 0 40 EIAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 176807 ZNQQLRZJIXPBCF-AQTBWJFISA-N 345.354 4.203 0 40 EIAB CCc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1 253622 PCJLEIDBTUWJCE-UHFFFAOYSA-N 327.387 4.349 0 40 EIAB Nc1c(-c2ccccc2)cnn1-c1nc2ccc(Cl)cc2s1 387600 YHUGGVUERWGOGC-UHFFFAOYSA-N 326.812 4.385 0 40 EIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)c1 505873 VTZFANFSPUIULT-UHFFFAOYSA-N 326.465 4.356 0 40 EIAB CCSc1nnc(NC(=O)c2cc(C)nc3ccc(C)cc23)s1 2636031 XYIQBMGCKBLFHD-UHFFFAOYSA-N 344.465 4.067 0 40 EIAB CCOC(=O)[C@H]1CN(N=O)[C@H](c2ccccc2)C[C@@H]1c1ccccc1 3845409 DPZKOOVUUPQRNK-QYZOEREBSA-N 338.407 4.078 0 40 EIAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1C 3886909 MXXWEBIAYCQBMH-UHFFFAOYSA-N 328.462 4.215 0 40 EIAB Fc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(F)cc32)cc1 4168665 LDDCVUCYDOQHTK-UHFFFAOYSA-N 333.341 4.399 0 40 EIAB COc1ccc(-c2nc3ncccn3c2Nc2ccc(F)cc2)cc1 4734286 QCCRAORNZACINO-UHFFFAOYSA-N 334.354 4.288 0 40 EIAB Cc1cc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)ccc1Cl 5235898 WJTXDVRLQJSRTL-GFCCVEGCSA-N 325.799 4.045 0 40 EIAB Cc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1C 6044495 JJHBCNVROFGIJR-UHFFFAOYSA-N 329.469 4.376 0 40 EIAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCC3)o1 7194062 NATVXGCRLJJRBT-UHFFFAOYSA-N 340.404 4.102 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1ccnn1Cc1ccccc1 7524958 BSWXODZFQQVMJM-UHFFFAOYSA-N 341.414 4.266 0 40 EIAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 7913911 YDPFXBBXCRJMFN-HXUWFJFHSA-N 344.414 4.187 0 40 EIAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(C)c1-c1ccccc1 8080302 KRJYFIPBWKEVSP-MRCUWXFGSA-N 336.460 4.366 0 40 EIAB O=C(CCSc1ccc(C(F)(F)F)cn1)Nc1ccccc1 8710982 TZLFTRSUDKIEMZ-UHFFFAOYSA-N 326.343 4.221 0 40 EIAB CCOC(=O)c1cc2sc(Nc3ccc(OC)cc3)nc2s1 9096322 JBNKQHDBTJMRDC-UHFFFAOYSA-N 334.422 4.287 0 40 EIAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1 13125616 NKRPLAHEGSKBHS-UHFFFAOYSA-N 335.794 4.093 0 40 EIAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cscn3)[nH]c2cc1C 13226768 YFSARKUXABSURV-INIZCTEOSA-N 340.452 4.004 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1Cl 13710034 YUINKPJKZWEUBD-HUUCEWRRSA-N 331.843 4.245 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13796177 IFMAIXISBMKZMT-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccncc3)ccc12 15085499 ASLJCHWKJULZAH-UHFFFAOYSA-N 331.400 4.172 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1C1CCCCCCCCCCC1 16137976 ZVXZYLUIOPONDY-NBMJBFSESA-N 329.484 4.467 0 40 EIAB O=S(=O)(C/C=C\COc1ccccc1)c1ccc2ccccc2c1 16979239 WXOUYGYLFOIWGF-SREVYHEPSA-N 338.428 4.249 0 40 EIAB Cc1ccc(NC(=O)CSCC(=O)c2c[nH]c3ccccc23)cc1 19648862 CSAIIDUNYDLJBB-UHFFFAOYSA-N 338.432 4.031 0 40 EIAB FC(F)(F)c1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 19889619 UXRSFDGDSYIQEX-INIZCTEOSA-N 338.417 4.179 0 40 EIAB CC(C)Oc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 20550022 NQPIXPGJMUGEFZ-UHFFFAOYSA-N 341.436 4.081 0 40 EIAB Cc1ccccc1OCCn1c(CN2CCCCC2)nc2ccccc21 21783143 PTTSEUGJBUIRGP-UHFFFAOYSA-N 349.478 4.410 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 22529896 QWXZDBWIYVMBRI-HNNXBMFYSA-N 331.843 4.383 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1 32341458 RIJCEEDWBWNWKG-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB O=C(Nc1ccccc1Cl)C1CCN(Cc2ccccc2F)CC1 39750848 OVGCMZZLVVHWGL-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccco1 48261577 RBHIJZSQQXEEAJ-AWEZNQCLSA-N 343.386 4.381 0 40 EIAB CN(C)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cn1 48262650 HCAFGTUAUSJKHS-QGZVFWFLSA-N 344.434 4.196 0 40 EIAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1Cl 49549789 JDUKJQBOKLBVBU-LBPRGKRZSA-N 328.224 4.151 0 40 EIAB CC[C@@H](C)[C@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 69778615 OVBBZOHPPPOFAZ-KGLIPLIRSA-N 345.443 4.074 0 40 EIAB CC(C)n1c(N)nnc1SCc1ncc(-c2ccc(Cl)cc2)o1 71794515 OSAVFQZQKODWIV-UHFFFAOYSA-N 349.847 4.042 0 40 EIAB C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1-n1cccn1)C1CC1 71921458 LANKBSWWDPRNEA-HNNXBMFYSA-N 347.422 4.025 0 40 EIAB CC(C)c1nccc(CN2CCN(c3ccc4ccccc4c3)CC2)n1 72129136 YVNNROHJDTVMAP-UHFFFAOYSA-N 346.478 4.075 0 40 EIAB CCN(CC)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212864 XKINFBBWQYTCNK-INIZCTEOSA-N 333.476 4.390 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCCC1 72216018 ILNIIKSBZRMTSM-LJQANCHMSA-N 335.451 4.049 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)CC1CCCCC1 72230487 WWTIMVCTVRTDBW-CYBMUJFWSA-N 329.893 4.243 0 40 EIAB c1cc(CCN2CCC(NCC3CCCCCCC3)CC2)ccn1 75093185 YMRSRUHSZVLISQ-UHFFFAOYSA-N 329.532 4.039 0 40 EIAB Cc1ccc(-c2cc(NC(=O)C(C)(C)C)cc(C(=O)O)c2)c(F)c1 77024681 AVHCJYFSACDEGD-UHFFFAOYSA-N 329.371 4.484 0 40 EIAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc2ncccc2c1 79480436 QOAMAVIIXGJDKL-KRWDZBQOSA-N 338.436 4.436 0 40 EIAB Cc1cc(OCCN2C(=O)[C@H](C)CNc3ccccc32)ccc1Cl 82087121 ZGTOTZJDLXJISN-CQSZACIVSA-N 344.842 4.122 0 40 EIAB CN(c1cccc2ccccc12)S(=O)(=O)c1ccc2c(c1)CCC2 83869540 YASIMZSMMRMKLF-UHFFFAOYSA-N 337.444 4.154 0 40 EIAB Cc1cc(CN(Cc2cc(C)on2)CC2(c3ccccc3)CC2)no1 89604759 MCFUJEVWHCQUIP-UHFFFAOYSA-N 337.423 4.013 0 40 EIAB C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 89894250 OBIJBSBNZJHLAJ-JKSUJKDBSA-N 340.423 4.104 0 40 EIAB COc1ccccc1[C@H](C)CN[C@H](C)c1cccc(NC(C)=O)c1 95421653 KTSCLZSBZYGSNT-HUUCEWRRSA-N 326.440 4.108 0 40 EIAB CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 95945358 KUWRCJSXWBWPDI-LSDHHAIUSA-N 344.484 4.263 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)Nc2nc(C)c(C)s2)o1 96182549 ITQYKOOMSPFWOF-UHFFFAOYSA-N 344.392 4.406 0 40 EIAB c1cncc(-c2ccc3c(c2)C2(CC3)CCN(c3nncs3)CC2)c1 96241710 YCFGVDUDFPACSZ-UHFFFAOYSA-N 348.475 4.085 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@@H]3C2=O)c(C)c1 100548615 JYCRFHOUJNWOOZ-HNJRGHQBSA-N 335.447 4.319 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](c2nc3ccccc3o2)C1 107490205 RWJMHIAFKAHNLJ-QAETUUGQSA-N 338.451 4.360 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 107490213 RWJMHIAFKAHNLJ-MWDXBVQZSA-N 338.451 4.360 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc(C)cs3)C2)cc1 208004150 NYJQYUAJCGXRPY-MRXNPFEDSA-N 329.465 4.475 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 218962349 KJMYGEZANHERRP-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)c(C)c1 222887942 BINHVKOLHYAZJE-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1ccc(C)cc1NC(=O)c1snnc1-c1ccc(C)cc1 225774907 VDCJDFMXJLJJOL-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2Cl)ccc1Cl 227145465 LVIXCNNEOUUYMM-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1ccc(-n2c(C)nnc2SCCOc2ccccc2)cc1C 409121857 YLGJJDRVVSULNB-UHFFFAOYSA-N 339.464 4.364 0 40 EIAB Cc1sc2ncnc(Nc3ccc([C@@H](C)CC(N)=O)cc3)c2c1C 1612988499 MXICNAQLNLHVEQ-JTQLQIEISA-N 340.452 4.031 0 40 EIAB COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 245859 NHJDFYJMPSUXER-WYMLVPIESA-N 347.370 4.385 0 40 EIAB CCOc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OCC 387901 HSUIJGDVEFVVMG-UHFFFAOYSA-N 333.815 4.319 0 40 EIAB CCn1c(COc2cccc(C)c2)nnc1SCc1ccccc1 419279 GRCBEAPPSGXKCH-UHFFFAOYSA-N 339.464 4.478 0 40 EIAB Fc1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 4356574 PFKYMMQOSCQFBX-UHFFFAOYSA-N 340.379 4.304 0 40 EIAB aggregator Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@@H]3C2=O)c1 4536879 DZLHRCTZVFXHBQ-HNJRGHQBSA-N 333.431 4.177 0 40 EIAB O=C(OCc1cn2cc(Cl)ccc2n1)C12CC3CC(CC(C3)C1)C2 5667207 WFKYGAXACGKDRD-UHFFFAOYSA-N 344.842 4.247 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1nc2c(C)c(C)ccc2s1 6478528 DZUPTEOGAIIZTE-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB Cc1nc2ccccn2c1-c1nc(-c2ccc3c(c2)OCO3)cs1 6567044 HNNGDCMFKJUGJX-UHFFFAOYSA-N 335.388 4.162 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 6784388 LMFNCPDKHRUANM-UHFFFAOYSA-N 329.705 4.169 0 40 EIAB Cc1cccc(CSc2nccn(-c3cccc(Cl)c3)c2=O)c1 6915364 BDKCJCQYKDCHNS-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB COc1ccccc1CC(=O)Nc1ccccc1Cc1ccccc1 7344655 LAUODNJQBGVMBJ-UHFFFAOYSA-N 331.415 4.467 0 40 EIAB O=C(COC(=O)c1cccnc1Sc1ccccc1)c1ccccc1 7981497 HWISFKRQYJTGNX-UHFFFAOYSA-N 349.411 4.273 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 8038674 BDFLJGQEGDMXBT-NRFANRHFSA-N 348.446 4.324 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)sc1C(=O)O 8718233 XEOGGLUAJGBALZ-UHFFFAOYSA-N 330.192 4.314 0 40 EIAB CCOc1ccc2[nH]c(=O)c(CNc3c(C)cc(C)cc3C)cc2c1 12493172 FVBZGUSRVHVRLG-UHFFFAOYSA-N 336.435 4.464 0 40 EIAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)ccc2o1 12747918 YYMLXEGQBLINKL-SNVBAGLBSA-N 330.771 4.196 0 40 EIAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cc(F)cc(F)c1 12753078 WMBZZRWJHNSLJI-UHFFFAOYSA-N 347.752 4.115 0 40 EIAB O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2N1 12862570 DNIRSQSMLBPVDM-CYBMUJFWSA-N 335.190 4.058 0 40 EIAB Cc1ccccc1CN(C)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 12891209 FMEBLGPWBSRQCG-UHFFFAOYSA-N 341.410 4.479 0 40 EIAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1C(C)(C)C 12910702 FILWUHCXHNXZMI-UHFFFAOYSA-N 334.423 4.126 0 40 EIAB S=C(Nc1ccc(Br)cc1)NC1CCCCCC1 13818404 IBIOGJWKWRMCPC-UHFFFAOYSA-N 327.291 4.458 0 40 EIAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc12 14058226 SNCKCDLLJGBEPJ-LLVKDONJSA-N 343.814 4.491 0 40 EIAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 15538968 RZRWQOQRRFQWRU-MRXNPFEDSA-N 338.432 4.282 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCc2ccccc2C1 15627449 RTAKCHWDJALOQA-UHFFFAOYSA-N 340.473 4.379 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 15729989 ZIFPZAVUSFVRPQ-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB Cc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc43)n2)cc1 16311162 YIPDUOIVFVVEIS-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)c(OC)c1 16706393 XKPLKIKGPKKHPJ-FJUBQESYSA-N 327.380 4.072 0 40 EIAB Cc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)o1 19216401 BELXNNUXTIIDCY-SFHVURJKSA-N 337.423 4.151 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20049138 YLOQLEVSIBQBAC-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 23718388 NXNJMTVZEKUHTB-ZWNOBZJWSA-N 334.872 4.312 0 40 EIAB COc1ccc(CN(C(=O)c2ccccc2Cl)C2CC2)c(OC)c1 25291931 PIEHAHVBRGNWEG-UHFFFAOYSA-N 345.826 4.162 0 40 EIAB COc1ccc2nc(C)c(C(=O)NCc3ccc(Cl)cc3)cc2c1 25949296 BTPSNOHVOOLEER-UHFFFAOYSA-N 340.810 4.135 0 40 EIAB O=C(COc1cccc(Cl)c1)N(Cc1ccco1)Cc1ccco1 27740143 QYNMQEIVZBKTTN-UHFFFAOYSA-N 345.782 4.134 0 40 EIAB CCC[C@@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1 32801798 RZRHSCDDUOKVNU-QGZVFWFLSA-N 331.504 4.136 0 40 EIAB C[C@@H]1C[C@H](OC[C@@H](O)CNC(C)(C)CC(C)(C)C)CC(C)(C)C1 33526507 ZCGOSUPULPBKSS-IKGGRYGDSA-N 327.553 4.383 0 40 EIAB Cc1c(C)n(C[C@@H](O)CN[C@H]2CCCC[C@@H]2C)c2c(Cl)cccc12 35075095 ZBMWXQGMDJSFMW-AXHNFQJDSA-N 348.918 4.441 0 40 EIAB CCc1ccc(-c2cc(C(F)(F)F)nc(NCCCOC)n2)cc1 36613655 KTMKXQNTWIWVEJ-UHFFFAOYSA-N 339.361 4.173 0 40 EIAB CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c(C)n1 36618682 MOCPFCKFPUOYON-UHFFFAOYSA-N 339.365 4.042 0 40 EIAB CN(Cc1cccs1)C(=O)NCc1cccc(C(F)(F)F)c1 40016056 SBBSBUQYMAVOMT-UHFFFAOYSA-N 328.359 4.109 0 40 EIAB CC(C)c1ccc(CCNC(=O)Cc2cccc3cccnc23)cc1 40034492 YZHHDAKVTZMXPJ-UHFFFAOYSA-N 332.447 4.260 0 40 EIAB Cc1ccc(NC(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 40072750 QWXQSERQBRSHJL-KBPBESRZSA-N 330.350 4.007 0 40 EIAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CSCc1cccs1 40108218 UZNVOOFDEJGYQC-GFCCVEGCSA-N 339.913 4.382 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1cccc(F)c1 40160054 UCQUJBCMVQNMEX-LLVKDONJSA-N 337.826 4.131 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1 40478422 UAAVCQWAQYHKIP-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)Cc1c(C)noc1C 46960685 LVJBYWKCBVXJAU-INIZCTEOSA-N 345.443 4.048 0 40 EIAB CC(=O)Nc1ccc(C)c(NC(=O)c2cc3ccc(C)cc3nc2C)c1 58147369 PCICNAYEVUXVQY-UHFFFAOYSA-N 347.418 4.371 0 40 EIAB O=C(NCc1cccc2ccccc12)c1ccc(Cn2ccnc2)cc1 60615728 KYSYLMRSCOSNCQ-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB c1ccc(-c2nc[nH]c2-c2ccc(OCCn3ccnc3)cc2)cc1 65410082 AAQQLWAFBROPMJ-UHFFFAOYSA-N 330.391 4.019 0 40 EIAB C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccnc1 65529181 GNCIDJLAWUQLBD-QGZVFWFLSA-N 346.430 4.065 0 40 EIAB Cc1csc(-c2ccc(C(=O)N(C)Cc3cnc(C)s3)cc2)n1 69529067 MAXPYOQWHCEDEW-UHFFFAOYSA-N 343.477 4.156 0 40 EIAB O=C(c1nccc2ccccc12)N1CCC(OC2CCCCC2)CC1 71850057 IVOGQROADHVHHU-UHFFFAOYSA-N 338.451 4.189 0 40 EIAB COc1cc(C=O)ccc1OC(=O)/C=C\c1ccc(C(C)(C)C)cc1 72193612 JZHVZSZKZPVDIJ-WQLSENKSSA-N 338.403 4.424 0 40 EIAB O=C(N[C@@H]1CCN(C2CCCCCC2)C1)c1ccc2ccccc2c1 72230579 UTVPORVYLDYPOO-HXUWFJFHSA-N 336.479 4.367 0 40 EIAB Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)CCc3ccco3)n2)c1 72288557 LWUIFYITKSUZIP-LJQANCHMSA-N 349.434 4.274 0 40 EIAB CCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc21 72292970 BANFZTUHEQCDPF-UHFFFAOYSA-N 344.418 4.408 0 40 EIAB Cc1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1 72397227 NCTXEUSKBOXXBR-UHFFFAOYSA-N 337.398 4.424 0 40 EIAB Cc1ccc(-n2c(C)nnc2SCCOc2ccccc2)cc1 75333477 FEAOYMAVKNZJDB-UHFFFAOYSA-N 325.437 4.055 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2cccc(COC(C)C)c2)c1C 76070205 XKUSEHDRVPFRNM-UHFFFAOYSA-N 330.432 4.089 0 40 EIAB Cc1ncc([C@@H](C)NCc2cc(Cl)c3c(c2)OCCCO3)s1 89510178 NFZZISLYGRGTSD-SNVBAGLBSA-N 338.860 4.117 0 40 EIAB CC(=O)Nc1cc(N[C@H](C)c2cn(C(C)(C)C)nc2C)ccc1C 95990611 KILYJAWRHOHQTA-CYBMUJFWSA-N 328.460 4.386 0 40 EIAB Fc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 96061590 INXLQNBGBSRBNY-FCHUYYIVSA-N 339.454 4.438 0 40 EIAB Cc1csc(C(=O)NCC2(Sc3ccccc3)CCOCC2)c1 96330965 YDCDGWIQDSFIQM-UHFFFAOYSA-N 347.505 4.128 0 40 EIAB COc1cccc(Nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccn2)c1 96671416 POHMKUVXNPWVNJ-HNNXBMFYSA-N 347.418 4.325 0 40 EIAB C[C@@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102791660 HZPRINBWEYSSMZ-SZXPJGKVSA-N 331.431 4.120 0 40 EIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C)C4)[C@H]3C=C12 105364083 RBCKIFIDZCUQEN-NZIBUEJNSA-N 331.500 4.033 0 40 EIAB biogenic Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3[nH]ccc3c2)s1 106945112 UDVANMHGGOSLQR-LLVKDONJSA-N 328.441 4.466 0 40 EIAB CN(C)c1cccc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 211143283 AEIMNNFUFXUIFA-LJQANCHMSA-N 340.492 4.073 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)CCc2ccc(Cl)cc2)c1 224050131 HYNIUDXPTJPNEX-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 224923754 AQBDEVVCZOHCSS-INIZCTEOSA-N 338.451 4.255 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C)cc1 225702036 PJHFARJGKHBOCS-SFHVURJKSA-N 326.465 4.368 0 40 EIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225893553 HYJVSKDSBAIKMR-LJQANCHMSA-N 330.428 4.166 0 40 EIAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cn1 225910656 JJLBGVMPRFRGJA-KXBFYZLASA-N 334.460 4.184 0 40 EIAB Cc1cnc([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)s1 257276335 NTGPEKUBLPLUHT-CYBMUJFWSA-N 332.494 4.022 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NCCSCc1ccccc1 408866049 FHFZPGVYTQECJP-MRXNPFEDSA-N 345.533 4.358 0 40 EIAB Cc1cc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nn1C 548791903 UQRRJSIPUVRINP-HNNXBMFYSA-N 331.423 4.216 0 40 EIAB CCCc1nc(-c2noc(C[C@H](C)c3ccc(F)cc3F)n2)co1 554839624 NQEAEQDJHRVDFI-JTQLQIEISA-N 333.338 4.302 0 40 EIAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2CC(C)C)C1 585101867 JLIALHQJFPDFIQ-OAQYLSRUSA-N 346.515 4.222 0 40 EIAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1c[nH]nc1-c1ccco1 1625985039 NVXOGYXTCKXFAN-UHFFFAOYSA-N 346.346 4.109 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 421845 DAWMCHLWGGTMCV-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB CSc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)c1 422977 DFQHEZFHBUPLCX-YJBOKZPZSA-N 326.421 4.178 0 40 EIAB CC(C)(C)c1nc(SCC(=O)N2CCCCC2)c2ccccc2n1 1342466 BJUIBSQQAGBXCO-UHFFFAOYSA-N 343.496 4.032 0 40 EIAB CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12 1347651 BZPDRCCIHKGVIQ-UHFFFAOYSA-N 338.432 4.260 0 40 EIAB O=C(c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 1358633 IVSNKYLAAVTUPH-UHFFFAOYSA-N 340.423 4.455 0 40 EIAB CCCCN(C)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2117429 YBLKXYBOJQQOOQ-UHFFFAOYSA-N 337.419 4.398 0 40 EIAB biogenic CCc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 3607532 DDHGPLFRAZUCCY-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 3983818 HVPVPQFZGNASDB-KZVLABISSA-N 326.484 4.056 0 40 EIAB COc1cccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1OC 4479385 AQVZEFPFORHMBT-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB Cc1nc(=O)c(-c2ccccc2)c(C)n1C1CC(C)(C)NC(C)(C)C1 4502022 ZLIWRQZOGBPPGW-UHFFFAOYSA-N 339.483 4.009 0 40 EIAB CCOC(=O)/C=C(/Nc1ccc2[nH]c(C)c(C)c2c1)C(F)(F)F 4624145 WAPIDVXAYHXRFH-RIYZIHGNSA-N 326.318 4.206 0 40 EIAB Cc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)cc1 4714072 SXUYRQGOJOJEBU-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB Cc1noc(C)c1COC(=O)c1ccc2noc(-c3ccccc3)c2c1 5108481 XGFHNYWADGQCCL-UHFFFAOYSA-N 348.358 4.457 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1 5672975 XLPWNTBBCDMYQV-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB FC(F)(F)c1ccc(Cl)c(-n2c(S)nnc2-c2ccco2)c1 5927219 CPCPIAGAKLVLHU-UHFFFAOYSA-N 345.733 4.488 0 40 EIAB Cc1cccc2nc(C(=O)OCc3ccc(Cl)cc3Cl)cn12 5983146 JATISGWQIBEZGB-UHFFFAOYSA-N 335.190 4.307 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(Cl)cc2)c1 6189888 FJDGVBXGEKBTIG-UHFFFAOYSA-N 331.843 4.467 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CCOc3ccccc3)c2)oc1C 6200875 POZJWGUGOYUVMR-UHFFFAOYSA-N 336.391 4.366 0 40 EIAB CCCSc1nsc(NC(=O)c2ccc3ccccc3c2)n1 6841225 MJISNDWXHONGSQ-UHFFFAOYSA-N 329.450 4.446 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc(Br)ccc21 6957188 MBDKDTJJINQYIC-DOMZBBRYSA-N 349.272 4.099 0 40 EIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1F 7003014 FTLDZSDOYLKKIN-HNNXBMFYSA-N 341.430 4.255 0 40 EIAB COc1ccc2c(CNc3ccc(OC)c(Cl)c3)cc(=O)oc2c1 8131297 UNINKEMZQKROBU-UHFFFAOYSA-N 345.782 4.076 0 40 EIAB C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1CCSc2ccccc21 8728524 CMXRZRFRIQCFQP-WMLDXEAASA-N 326.465 4.230 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccc1 8734469 JZOPDSSQVMNAPV-ZDUSSCGKSA-N 340.423 4.369 0 40 EIAB COC[C@H](C)Nc1nc(-c2cccs2)nc2sc(C)c(C)c12 8753766 CLUVCVQVBGSPCH-VIFPVBQESA-N 333.482 4.483 0 40 EIAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2[nH]cnc2c1 9467692 RXXQRNIGWSXTBD-UHFFFAOYSA-N 337.713 4.070 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1F 10280329 WGOSKKDTNBMHKV-CQSZACIVSA-N 349.496 4.356 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1ncoc1-c1cccc(F)c1 12115151 ALLHLNNXXKGGPJ-CQSZACIVSA-N 338.382 4.232 0 40 EIAB Clc1ccc(-c2nc(NC3CC3)ncc2-c2ncc[nH]2)c(Cl)c1 12143407 CTRYDMDJVXNYAC-UHFFFAOYSA-N 346.221 4.415 0 40 EIAB C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 12815245 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EIAB Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 8470778 XANVDQSKSGQYIU-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OC1(CCCC1)O2 9872032 SLKHQSGATKGOHS-UHFFFAOYSA-N 349.430 4.398 0 40 EIAB COc1ccc(Cl)c(NC(=O)c2cc3ccccc3c(=O)s2)c1 11692923 PVVVNJLRZSHVGG-UHFFFAOYSA-N 345.807 4.176 0 40 EIAB Cn1/c(=N\C(=O)c2ccccc2Cl)sc2cccc(Cl)c21 12180813 VTUBODPTCDHJLI-OBGWFSINSA-N 337.231 4.288 0 40 EIAB CC(C)(C)[n+]1cn(-c2cccc(F)c2)c(-c2ccccc2Cl)n1 12510073 KHDKKYIZCVFOPV-UHFFFAOYSA-N 330.814 4.374 0 40 EIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc2ccccc2c1 12777886 UJMSTFWGFPMMEK-AWEZNQCLSA-N 330.387 4.217 0 40 EIAB Cc1c(C(=O)N2CCc3ccccc32)cnn1-c1ccc(Cl)cc1 12782846 HHMWYQRAAAVEIH-UHFFFAOYSA-N 337.810 4.037 0 40 EIAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CC1 13284343 GXKSIJFRVCWPCT-UHFFFAOYSA-N 349.459 4.114 0 40 EIAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1NCc1ccco1 13943807 DKJYZTVZGIUPOS-MGPUTAFESA-N 336.435 4.169 0 40 EIAB CC(=O)NCc1ccc(-c2nc(NCc3ccco3)sc2C)s1 14103010 FZULXOSCKNTSRC-UHFFFAOYSA-N 347.465 4.021 0 40 EIAB CC(C)Oc1cccc(NC(=O)c2ccccc2Br)c1 14796269 IXYKROIKRPLUPD-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB Cc1nc2c(c(NC(=O)c3cccc(Cl)c3)nn2C)c(C)c1Cl 15107925 MTJQFQGVTBQPCY-UHFFFAOYSA-N 349.221 4.144 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 15625317 UOHMREWHPXPOLV-UHFFFAOYSA-N 331.799 4.086 0 40 EIAB Cc1ccc(CNC(=O)N(C)Cc2ccccc2Br)cc1 17069695 CBBHRUGDDACWHW-UHFFFAOYSA-N 347.256 4.099 0 40 EIAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1cccnc1 17169002 NBPZTMQAMQXXOQ-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CN(CCc1ccccc1)Cc1c(-c2ccco2)[nH]c2ncccc12 19586215 SLBAHLJKZHHGHD-UHFFFAOYSA-N 331.419 4.497 0 40 EIAB Cc1cc2nc(-c3ccc(N)cc3O)oc2c(Br)c1C 20156868 RRBMTTBLVYPVKU-UHFFFAOYSA-N 333.185 4.162 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2Cl)c1 20447825 JOSSKCRINANCSM-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB C[C@@H](C1CC1)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1 24673523 GMPZXMGBSODXDZ-HNNXBMFYSA-N 326.415 4.065 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCCCC2)c1 27143431 DMDBBFSSKQNPTL-KRWDZBQOSA-N 338.451 4.079 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccccc1 29001351 NUKXGKJZBHDPIN-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccccc1N1CCCCCC1 29847922 MJJGGSSCFXICSQ-UHFFFAOYSA-N 349.434 4.389 0 40 EIAB CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 32927434 LVQZEAAPFGYURU-INIZCTEOSA-N 347.480 4.084 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 36351189 QGQQDNQFNPPGQK-ASUYLVSUSA-N 344.430 4.333 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2cccc(F)c2F)C1 36357929 SXSUNFSOKIAGHE-ZDUSSCGKSA-N 343.308 4.413 0 40 EIAB O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 40023554 JYHAWTAUCADLNZ-UHFFFAOYSA-N 341.480 4.364 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2[nH]ncc2c1 40039653 HZUPQAYNVKQYFW-UHFFFAOYSA-N 340.433 4.309 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2sc(C(C)C)nc2C)cn1 40142459 LWANXKKXTBOQLO-UHFFFAOYSA-N 332.473 4.068 0 40 EIAB O=C(Nc1ccccc1Cl)c1cnn(-c2cccc(Cl)c2)c1 40156634 DDHPXCKXKRZJFV-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB CC(C)[C@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 42231103 AXKZPDPYMGDETO-FQEVSTJZSA-N 335.451 4.399 0 40 EIAB C/C(=C\C(=O)Nc1ccccc1CN1CCCC1)c1ccccc1F 56396467 NEKJFQDJOMFVGO-JQIJEIRASA-N 338.426 4.464 0 40 EIAB CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1 58193428 VMBXUXTWCWLRLW-ZDUSSCGKSA-N 326.396 4.210 0 40 EIAB Cc1ccc(N(Cc2nc3ccccc3c(=O)[nH]2)Cc2ccco2)cc1 70945528 VNCJIYZNLIKYLH-UHFFFAOYSA-N 345.402 4.031 0 40 EIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCC2)cc1 71115807 JBYKWQGZTUHABN-UHFFFAOYSA-N 341.455 4.318 0 40 EIAB CCOC(=O)c1ccc(N[C@@H]2CC(C)(C)Cc3oc(C)cc32)nc1 71811071 QJJORLHCVBAXTQ-OAHLLOKOSA-N 328.412 4.285 0 40 EIAB Cc1nc(Cc2nnc(S[C@H]3CCc4ccc(F)cc43)o2)cs1 72312855 BBPJHAVLVZKCRE-AWEZNQCLSA-N 347.440 4.344 0 40 EIAB Cc1ccc(CNCc2cccc3cccnc23)c(O[C@H]2CCOC2)c1 89623637 VWPOITHDBOCHOX-FQEVSTJZSA-N 348.446 4.001 0 40 EIAB Cc1nnc(CSCc2ncc(-c3ccccc3)s2)n1C1CC1 91619125 DGTFFADUPRLIAD-UHFFFAOYSA-N 342.493 4.478 0 40 EIAB O=C(Nc1ccccc1)Nc1cccc(CNC(=O)C2=CCCC2)c1 95415095 FSIJHRSYKXRHTQ-UHFFFAOYSA-N 335.407 4.057 0 40 EIAB CCOC[C@@H]1CCN(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 96010717 BYRLPHWIQLTXLY-CQSZACIVSA-N 345.468 4.009 0 40 EIAB COc1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1F 96120213 SPDYWONEGRCDJH-UHFFFAOYSA-N 333.428 4.138 0 40 EIAB O=C(OCCOc1ccccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 97496414 WPHDVBLOLCBWEU-VXGBXAGGSA-N 334.309 4.116 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1cc(C)ccc1C 113959294 XVPAMWWEWCYROL-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1)CC(C)(C)O2 222627817 HVTBPIGYKNBPFN-INIZCTEOSA-N 326.396 4.119 0 40 EIAB COc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1C 222718443 CTNSDCBUSSOAQP-UHFFFAOYSA-N 337.463 4.027 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223471730 WCPAJJYYOAKCSS-IRXDYDNUSA-N 341.451 4.265 0 40 EIAB Cc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224699976 XRBUPGMGCBGQHI-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225005266 MCEACIFOVCGDLM-HOTGVXAUSA-N 343.521 4.367 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NC(C)(C)Cc1ccccc1 225088524 BMVSWFZPCCSMTJ-SFHVURJKSA-N 325.452 4.290 0 40 EIAB COc1ccc(CCC(=O)NCc2cccc(OC(C)C)c2)cc1C 225263333 ATTNHLOPBQCOAP-UHFFFAOYSA-N 341.451 4.040 0 40 EIAB CCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c2ccccc12 225836982 QPYCISWVOLXRGM-FQEVSTJZSA-N 327.424 4.382 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cc2cccc(Cl)c2oc1=O 226039459 RGFROICQYUFFLT-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cc2ccccc2s1 390831161 QELVKUQJXCROPS-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CCOc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1Cl 408586823 RMUIEQIBRDDRCE-UHFFFAOYSA-N 345.892 4.130 0 40 EIAB Cc1nc(C)c(C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)s1 409412777 BYYHVTOLNXRNNT-QBPKDAKJSA-N 326.465 4.072 0 40 EIAB CC(F)(F)c1cccc(NC(=O)CC2CCC(C(=O)O)CC2)c1 582423042 DXVSXWBGADHQBJ-UHFFFAOYSA-N 325.355 4.018 0 40 EIAB Cc1nc(-c2ccc(C)c(NCc3scnc3C3CC3)c2)n[nH]1 584445647 BYIGBGVVEJZUKF-UHFFFAOYSA-N 325.441 4.035 0 40 EIAB CCCNC(=O)c1cccc(N[C@@H]2CCc3c2ccc(OC)c3F)c1 585083698 PIHDLCTZIMGYGG-QGZVFWFLSA-N 342.414 4.074 0 40 EIAB COc1ccc(CCNC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1775971925 YRXCQFIUAMIUOX-OALUTQOASA-N 340.467 4.055 0 40 EIAB Clc1cnccc1OCC1CCN(c2nc3ccccc3o2)CC1 1889186985 OLPRDXSWPNSZFH-UHFFFAOYSA-N 343.814 4.172 0 40 EIAB Cc1ccc(OCC(=O)Nc2nnc(C(C)C)s2)c(C(C)(C)C)c1 142008 OMLFONHZQHLHFX-UHFFFAOYSA-N 347.484 4.285 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@H]2c1c(Cl)cccc1Cl 152924 PIUUUIBMRNBSSW-RDJZCZTQSA-N 347.201 4.226 0 40 EIAB CCOc1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 240198 FXRBJXSYHUBYJP-GOSISDBHSA-N 341.480 4.404 0 40 EIAB biogenic CCC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O 518492 WSDGNMGDWQSZKD-KZULUSFZSA-N 346.452 4.474 0 40 EIAB biogenic Fc1cccc(Cl)c1[C@H]1C=C(c2ccccc2)N=C2NN=NN21 1788044 BPUVCLMPTITWGS-CQSZACIVSA-N 327.750 4.118 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1OC 1934592 MYROPOLUKYSQLD-CSKARUKUSA-N 329.371 4.275 0 40 EIAB Cc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl 2726599 KYZFLUPURAXETE-UHFFFAOYSA-N 325.795 4.318 0 40 EIAB aggregator CCOC(=O)c1c(NC(=O)C2(C)CCCC2)sc2c1CCCC2 3178412 LWWMDRXWYYXPKM-UHFFFAOYSA-N 335.469 4.322 0 40 EIAB CC[C@@H](C(=O)OCC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 3240085 REVQOWGJGJBPAG-MRXNPFEDSA-N 348.345 4.208 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1C 4072302 NYVUCGTYUXYSGZ-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1 4165843 NIKOGSHEFBGJHR-UHFFFAOYSA-N 347.374 4.166 0 40 EIAB c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)nc1 4178225 YBGRPIVTZVJOEF-LPHOPBHVSA-N 333.416 4.385 0 40 EIAB O=C(c1ccccc1)c1cn(Cc2ccccc2)c2ccccc2c1=O 4936792 NWZNYHPHVLXXPY-UHFFFAOYSA-N 339.394 4.281 0 40 EIAB CCn1cc(NC(=O)NCCc2ccc(F)cc2)c2ccccc21 5266093 IRZNFQZNKXFIIT-UHFFFAOYSA-N 325.387 4.165 0 40 EIAB CC1=C2C[C@@H]3[C@@H](CN4CCCCCC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 6623731 TXVCKPLAKGEHSN-VGUOSERISA-N 331.500 4.321 0 40 EIAB biogenic Cc1cc2nnc(Sc3ncnc4sccc34)n2c2ccccc12 6912344 ZBOPYCWETHVEBD-UHFFFAOYSA-N 349.444 4.347 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C(C)C 7616234 PVKLKIPFSXQEEO-UHFFFAOYSA-N 339.501 4.082 0 40 EIAB COc1cc(CNC(=O)c2ccccc2)ccc1OCc1ccccc1 7648909 QDOSLWHIKBDLIL-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3cccc(C)c3)n2)cc1 8297527 JRBRZNDVGRHWQN-UHFFFAOYSA-N 336.460 4.464 0 40 EIAB Cc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1 11154945 MMFKGQSIHCQICG-UHFFFAOYSA-N 336.479 4.278 0 40 EIAB CC(C)Cc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 11278541 UASYYMRFDOJBQQ-UHFFFAOYSA-N 327.240 4.358 0 40 EIAB Clc1ccc2c(NCCCc3nc4ccccc4[nH]3)ncnc2c1 12548109 XKRZFHUIZYUHMU-UHFFFAOYSA-N 337.814 4.204 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3F)cc2)cs1 12614262 HHXLUYRPNXTCTA-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB C/C=C/C=C/C(=O)Nc1nc(-c2ccc(CCOC)cc2)cs1 12742803 SUYPTHWUHQWDDP-VNKDHWASSA-N 328.437 4.070 0 40 EIAB COc1ccc(OC)c(CNC(=O)c2ccccc2-c2ccccc2)c1 12780117 UGUXJIFNOCLRHO-UHFFFAOYSA-N 347.414 4.301 0 40 EIAB C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)[C@H]1CCCO1 12929936 YQLNPRVKGHYXJQ-BLLLJJGKSA-N 325.437 4.338 0 40 EIAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 13056684 XTIBTPPLMLWTMF-GFCCVEGCSA-N 337.250 4.452 0 40 EIAB COc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)C[C@H](C)O3 13563863 KQOWWDWXSNUVOM-INIZCTEOSA-N 348.446 4.335 0 40 EIAB c1csc(-c2cc(CSc3nnc(NC4CC4)s3)no2)c1 14138541 OCXDKJVACUDVHN-UHFFFAOYSA-N 336.467 4.121 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(F)cc1Br 14796925 NEUXTZPPBZQJDJ-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 14898314 GOJMDXMUJWTXCU-UHFFFAOYSA-N 346.390 4.097 0 40 EIAB COc1ccc(C(=O)Nc2cc(C)ccc2F)cc1Br 15602039 AIYXACXZELXSDH-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl 15616249 LIHREVVSZAVXSQ-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB Cc1ccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)cc1 17118301 RIYXWBTVPJUSRL-FXBPSFAMSA-N 347.201 4.379 0 40 EIAB CCOc1ccc([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 19927695 RVONJWMWYKKOCM-IAQYHMDHSA-N 334.466 4.017 0 40 EIAB COc1cc(Cl)cc(C(=O)C(F)(F)F)c1NC(=O)C(C)(C)C 22054928 YYVHOCLUSDEOTG-UHFFFAOYSA-N 337.725 4.078 0 40 EIAB in-vitro COc1ccc(-c2noc(CNc3ccc(Cl)cc3C)n2)cc1 32819290 ZJJCFDVUFOJHLR-UHFFFAOYSA-N 329.787 4.319 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccccc1OC 44847145 SNEBDRRRCMCECK-GOSISDBHSA-N 341.451 4.128 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)OC)cc1 48007487 OUAQFGMZLOHMAR-HNNXBMFYSA-N 344.436 4.076 0 40 EIAB Clc1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49600883 HQNXUGZRFCCQQN-UHFFFAOYSA-N 348.837 4.497 0 40 EIAB Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)Cc2ccc(O)cc2)c1 56771211 CXGZNKKMPTUPET-UZLBHIALSA-N 338.451 4.178 0 40 EIAB O=C(OC[C@@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1 61045580 CSQJVRHEKCJWFN-INIZCTEOSA-N 337.375 4.221 0 40 EIAB CCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)c1 65360754 QFQFELCFZVKZGL-LBPRGKRZSA-N 329.400 4.128 0 40 EIAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(C(F)(F)F)cc1 67173469 OTRULTXHXWDKOS-SJORKVTESA-N 349.352 4.006 0 40 EIAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc2ccccc2c1 72230397 GFOBUJKDZPGNHP-OAHLLOKOSA-N 331.481 4.401 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)n1 72273903 XRKSPDTYAZJJOC-IKGGRYGDSA-N 344.455 4.448 0 40 EIAB Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2Cl)cc1 72329771 PRTBINKMBQSUBR-UHFFFAOYSA-N 335.787 4.169 0 40 EIAB CC1=Nc2c(c(C)nn2-c2ccc(C(=O)O)cc2)[C@@H](C(C)C)S1 72402927 NNNIRAMHFXEIFD-OAHLLOKOSA-N 329.425 4.373 0 40 EIAB O=C(N[C@@H](c1ccc(F)cc1)C1CC1)N[C@@H](c1nccs1)C1CC1 74141766 RGGHJMHFVPSSQQ-HZPDHXFCSA-N 345.443 4.184 0 40 EIAB CC/C=C(/C)C(=O)N(CC)[C@H](c1ccc(OC)cc1)c1cccnc1 79034564 IWWIJSGREJPBCB-ATPWARJRSA-N 338.451 4.384 0 40 EIAB COc1ccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 84174764 JULOBKRGMNMHJC-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(-c3cnc4n3CCC4)c2)cc1 86071842 CDDJALQHYUCMNE-UHFFFAOYSA-N 347.418 4.147 0 40 EIAB CSC[C@@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 89493475 UDYTYAMQBWJWDP-SNVBAGLBSA-N 332.441 4.218 0 40 EIAB CC(C)(CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 95436000 USIFXYMTSBAUDG-GOSISDBHSA-N 325.456 4.221 0 40 EIAB C[C@H]1C[C@@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 95458256 FMUJCOXACXOINZ-HOTGVXAUSA-N 345.487 4.002 0 40 EIAB c1ccc(CN2CCC3(CCN(Cc4ccsc4)CC3)CC2)nc1 96047197 MEWSUUIACAIAMC-UHFFFAOYSA-N 341.524 4.021 0 40 EIAB CCCc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 96319042 ZIWQGWXHFCLYOY-UHFFFAOYSA-N 341.430 4.132 0 40 EIAB O=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(F)c(F)c1 96382413 FEKZRDIAMZVYSC-UHFFFAOYSA-N 340.329 4.082 0 40 EIAB COc1ccc(NC(=O)c2ccoc2)cc1NC(=O)C1CCCCC1 96407271 ZZXDBZPFTATFQQ-UHFFFAOYSA-N 342.395 4.059 0 40 EIAB C[S@@](=O)Cc1ccc(Cl)c(NC(=O)CCCC(C)(C)C)c1 96409253 IFVHJUKGXQWRSG-NRFANRHFSA-N 329.893 4.373 0 40 EIAB CCSc1cc(Cl)ccc1C(=O)O[C@@H](C)c1nnc(C)o1 96503102 XBYYPSGMXBZKPX-QMMMGPOBSA-N 326.805 4.061 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1Cl 96659761 HHMQPAXZHDXMLI-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)OC2=O 100260915 NTOYAIOKEQADKS-HOTGVXAUSA-N 342.222 4.054 0 40 EIAB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102662910 XQGMEKZBGZRBBF-IFXJQAMLSA-N 346.390 4.245 0 40 EIAB COc1ccc(C)cc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 195559003 LSLXQXJJQMHESI-JOCHJYFZSA-N 337.872 4.148 0 40 EIAB Cc1cc(C)c(S(=O)(=O)NCc2ccc3ccccc3c2)c(C)c1 222767507 NOJVLWUWTRVXIT-UHFFFAOYSA-N 339.460 4.244 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223464443 WCICPSHMGLYIMY-SJORKVTESA-N 341.451 4.265 0 40 EIAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 224666025 FXNDPCRRWWDPQH-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cc(C2CC2)no1 225636818 JMRLPSQWCSISGT-UHFFFAOYSA-N 344.374 4.119 0 40 EIAB S=C(NCCOc1ccccc1Cl)Nc1cccc(Cl)c1 225779380 SFYBOGXDZRPZEZ-UHFFFAOYSA-N 341.263 4.359 0 40 EIAB Fc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)c(F)c1 225857338 KYZKYRFBMBYEHP-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB Cc1ccc(C2(NC(=S)Nc3cccc(C)n3)CCCC2)cc1 225872921 XTCHPRWBMPWELY-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2c(N)cccc2Cl)c(Cl)c1 226359323 ZYVPCBIGKXUNNX-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB O=C(c1cccc2ccccc12)[C@@H](Br)CBr 382677716 ZHVRYWWAADDDIU-LBPRGKRZSA-N 342.030 4.181 0 40 EIAB O[C@@H]1CCOc2c(NCc3ccsc3C(F)(F)F)cccc21 527693848 UHYDRJHGKDQZGX-GFCCVEGCSA-N 329.343 4.195 0 40 EIAB CCC(CC)Oc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 583651612 PLNUZAJIVVXAQW-UHFFFAOYSA-N 327.380 4.205 0 40 EIAB CCN(C(=O)c1ccccc1OC1CC1)[C@H]1CCCc2cccnc21 585083875 HMHNQRXNLZSASB-SFHVURJKSA-N 336.435 4.163 0 40 EIAB O=C(Nc1ccc(-c2ccncc2)nc1)c1nc2ccccc2s1 585149376 BBGIYTLMOVAPMC-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB CN(CCC1CCCCC1)C(=O)c1ccc(C(F)(F)F)cc1O 622344419 PHJSMDWWFYCAJH-UHFFFAOYSA-N 329.362 4.453 0 40 EIAB Cc1nc(-c2ccc(C(=O)NC[C@@H]3C[C@H]3c3cccnc3)cc2)cs1 647664134 MDJFIMJYGBHMHG-ROUUACIJSA-N 349.459 4.047 0 40 EIAB COC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1ccccc1 151125 YQQZMTCFSHDMTQ-UHFFFAOYSA-N 331.437 4.495 0 40 EIAB Cc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1 554573 FLTAMFHJMKVYEL-UHFFFAOYSA-N 345.196 4.020 0 40 EIAB CCOC(=O)c1cc(C)ccc1-c1ccc(C)cc1C(=O)OCC 1689994 MTLAXAVKZGQVOC-UHFFFAOYSA-N 326.392 4.324 0 40 EIAB O=C(CSc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 2582799 HWZQGACMLJNZKH-UHFFFAOYSA-N 345.317 4.455 0 40 EIAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 3423029 YFPTZKISEFMOIE-HNNXBMFYSA-N 326.396 4.413 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)CCc1ccccc1 3451635 LAKVFVUJTXYBOG-MRXNPFEDSA-N 347.462 4.240 0 40 EIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1F 3474761 BFNGCPFEWDOSDK-UHFFFAOYSA-N 349.361 4.074 0 40 EIAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 4023124 LDIFWCUQQYZOLG-VDEYYEQSSA-N 346.511 4.020 0 40 EIAB biogenic COc1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 5498183 MOYQVAVIGDVPRH-UHFFFAOYSA-N 346.386 4.347 0 40 EIAB Cc1cc(C)c2nc(NC(=O)c3cc(=O)[nH]c4ccccc34)sc2c1 6154008 GKQHNHTUNGSJMQ-UHFFFAOYSA-N 349.415 4.007 0 40 EIAB O=C(CSc1cccc2ccccc12)Nc1cccc(C(=O)O)c1 6476759 VVBCDZQCVFCDSA-UHFFFAOYSA-N 337.400 4.269 0 40 EIAB COC(=O)c1ccc(COc2ccc(CNC3CCCC3)cc2)cc1 6602443 VAWSRVWEENRHKQ-UHFFFAOYSA-N 339.435 4.084 0 40 EIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCC2 7842993 DTZPNHHJHBFKKU-UHFFFAOYSA-N 327.327 4.388 0 40 EIAB CCOc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 7995646 WXJOWOBCEDMUJN-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cc2c(F)cccc2s1 8346260 NJEFYBGVASFNRJ-UHFFFAOYSA-N 338.407 4.494 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(C(C)C)cs1 8709065 PQFBLVSDCJLNLR-UHFFFAOYSA-N 327.409 4.482 0 40 EIAB Cc1cccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1C 8728928 IPHCLCLXDIRZQO-JLHYYAGUSA-N 334.419 4.082 0 40 EIAB Cc1ccccc1NC(=O)CSCCCOc1ccc(F)cc1 9849336 CKZVKXLMHYMFDR-UHFFFAOYSA-N 333.428 4.275 0 40 EIAB O=C(COc1ccc(F)cc1Cl)N[C@H](c1ccccc1)C1CC1 11215804 SEQNOYDODLXMCL-GOSISDBHSA-N 333.790 4.125 0 40 EIAB Cc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc1 12528556 GBVKHFFDFWIJMK-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)[nH]n1 12559581 SNANJAUWWSUCJT-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB O=C(Nc1ncccc1OCc1ccccc1)NC1CCCCC1 13208444 QQOUNAWNQMNJLE-UHFFFAOYSA-N 325.412 4.115 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1C 14246162 KPEPIKOSFKXYAV-CYBMUJFWSA-N 338.451 4.204 0 40 EIAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OC(F)F)cc1 15475683 RZEYTBRYBCIETK-GFCCVEGCSA-N 346.377 4.216 0 40 EIAB CN(Cc1ccco1)C(=O)COc1ccc(Cl)c2ccccc12 17791171 NKKXZLNFVCERAQ-UHFFFAOYSA-N 329.783 4.124 0 40 EIAB COc1ccccc1N=c1c(C(=O)O)c[nH]c2c(C)c(Cl)ccc12 19793885 YRPBMVTYPQTRDJ-UHFFFAOYSA-N 342.782 4.069 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(C)cc2)cc1 20453131 LZDFTTUQJMAMQF-FQEVSTJZSA-N 325.452 4.450 0 40 EIAB COc1ccccc1C1(CNC(=O)c2ccccc2F)CCCC1 21692314 UMMBSGUABPAHTP-UHFFFAOYSA-N 327.399 4.076 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OC 21706288 GJANRZSGPJRBQF-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1C[C@H]1c1ccccc1 28243011 VBCLXBRAJSAGEQ-ZWKOTPCHSA-N 334.444 4.230 0 40 EIAB O=C(CCn1cnc2ccccc21)Nc1ccccc1N1CCCCC1 30020660 XFNOUZKOWDEMQE-UHFFFAOYSA-N 348.450 4.055 0 40 EIAB COc1cccc(OC)c1C(=O)N[C@H](CC(C)C)c1ccccc1 30757818 BUOIGKXUFUQAAM-MRXNPFEDSA-N 327.424 4.221 0 40 EIAB O=C(N[C@H](c1cccs1)C1CCCC1)c1cccc2cn[nH]c12 32397649 OEBCHWHUTOYRPE-KRWDZBQOSA-N 325.437 4.286 0 40 EIAB C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccn1 32973725 YRQFXYDQQMDCKL-MRXNPFEDSA-N 332.403 4.152 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)c(C)c1 44935060 QAMYOHLBSAIZEM-KRWDZBQOSA-N 347.462 4.348 0 40 EIAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccnc2N2CCCC2)s1 47540787 QMUPDHBXMHMBFQ-CQSZACIVSA-N 344.484 4.277 0 40 EIAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C)c1ccc(Cl)s1 48356004 JLUXVFQZFBKPIS-QMMMGPOBSA-N 347.818 4.030 0 40 EIAB Cc1nccn1-c1ccc(CNCc2ccc(Cl)cc2Cl)cn1 48782434 IEYKSWGFLGYPJV-UHFFFAOYSA-N 347.249 4.172 0 40 EIAB Cc1cccc(C[S@@](=O)Cc2coc(-c3ccc(F)cc3)n2)c1 58161542 SNEKJEPKXGAIOT-QHCPKHFHSA-N 329.396 4.238 0 40 EIAB CC(=O)Nc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1Cl 58282711 UIMNOIFTJOLDNS-UHFFFAOYSA-N 342.826 4.359 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccccc1Br)CC(O)=N2 61721065 LOBWJZLQLSZMDI-MRVPVSSYSA-N 338.230 4.071 0 40 EIAB C[C@H](CCc1cccn1C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 72296943 VBZZWGUEIIEPQV-OAHLLOKOSA-N 344.886 4.238 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)c1ccsc1-n1c(C)ccc1C 78628382 BIHZRWMBAZGOLV-UHFFFAOYSA-N 343.452 4.033 0 40 EIAB COC(=O)c1csc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c1 79107828 LEENOXIZJXTVSX-UHFFFAOYSA-N 347.411 4.124 0 40 EIAB O=C(NCc1cc2ccccc2[nH]1)N(CCC(F)(F)F)C1CCC1 84637158 XCGCAMJRSWLZOD-UHFFFAOYSA-N 339.361 4.184 0 40 EIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(Br)sc21 85389957 LFQFJZNWQYFFBC-MRVPVSSYSA-N 342.645 4.472 0 40 EIAB Cc1nc(-c2cccc(CNCc3ccc(Cl)c(Cl)c3)c2)n[nH]1 89796211 YLDOKVSOYMWOPG-UHFFFAOYSA-N 347.249 4.377 0 40 EIAB Cc1ccc(C[S@](=O)Cc2csc(-c3ccccn3)n2)cc1C 95412201 ORNBBDZRSZUNAT-HSZRJFAPSA-N 342.489 4.271 0 40 EIAB C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccccc1OC(F)F 95419990 OWPWMIUQAZSDTN-CQSZACIVSA-N 347.409 4.134 0 40 EIAB CCc1cnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 95968987 JFAQBXBPEXRCND-QWHCGFSZSA-N 345.468 4.074 0 40 EIAB O=C(Nc1ccccc1F)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 96467919 LDOZFBYHRJMLRZ-RHSMWYFYSA-N 346.402 4.319 0 40 EIAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1COc2ccccc2O1 223743957 DHFZDOYJGLMCFO-FQEVSTJZSA-N 345.354 4.365 0 40 EIAB CCCOc1ccc(C(=O)NCCOc2ccc(CCC)cc2)cc1 224272308 YWLNWIFSDKMLAI-UHFFFAOYSA-N 341.451 4.237 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc(CC)cc2)cc1Cl 225164345 OSJCRMOUDLSXRS-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1 225493399 CFGJRSVCJSLYTK-UHFFFAOYSA-N 325.456 4.493 0 40 EIAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccco1 408561058 GEMRKHBKGGHPKI-HNENSFHCSA-N 326.421 4.187 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1Cl 408587325 TYAHJYMSIXKBOE-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1 409390335 CLPQPOUHZSHTGB-UHFFFAOYSA-N 348.402 4.067 0 40 EIAB O=C(c1cc(F)c(F)c(F)c1F)N1[C@H]2CCC[C@H]1CC(F)(F)C2 585090285 CEUFPQDLYSXGLK-YUMQZZPRSA-N 337.263 4.035 0 40 EIAB CC[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccn1 1625963219 BZPDLOGCQNGFBC-AWEZNQCLSA-N 340.814 4.006 0 40 EIAB COc1ccccc1NC(=O)NCc1cc(-c2ccco2)cs1 1775968668 JWVLZAOKCMINEX-UHFFFAOYSA-N 328.393 4.338 0 40 EIAB COc1cccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c1 2200801 RPWRCXXJDFNLSX-INIZCTEOSA-N 336.218 4.149 0 40 EIAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(F)cc1 4077226 AZKFWUSEIMGHSF-UHFFFAOYSA-N 339.395 4.011 0 40 EIAB CCc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 4314983 USXFAGOCCIKGLH-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@@H]2CC[C@H](C1)N2C 5298050 GNYZYYFKNNJUQR-RBUKOAKNSA-N 326.484 4.296 0 40 EIAB O=C(Cc1ccsc1)Nc1ccc(Br)cc1Cl 6260126 GQFZOYSIELTSRE-UHFFFAOYSA-N 330.634 4.345 0 40 EIAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1ccc(Cl)s1 6644093 ZUVVLLNNLVKGOA-VMPITWQZSA-N 341.215 4.494 0 40 EIAB CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2ccccc21 6648166 VWSQRUYGMQXJDH-SOUVJXGZSA-N 345.512 4.089 0 40 EIAB Fc1ccccc1CSCCNC(=S)Nc1ccccc1F 7970107 ZEPUGRYNQMNCCX-UHFFFAOYSA-N 338.448 4.185 0 40 EIAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1 8132504 HLSVPNGQLPIZHM-UHFFFAOYSA-N 337.416 4.149 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1ccc(F)cc1Cl 9379262 RHNBRCWQGHTXJO-UHFFFAOYSA-N 330.790 4.254 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C 9993330 RVEAJVHRAIKNQN-LFPRZYRFSA-N 342.483 4.169 0 40 EIAB Fc1ccc(COc2ccc(-c3nnco3)cc2)c(Br)c1 11746965 HYURWIOBWSNEJT-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB Cc1c(C(=O)CSc2nnc(C3CC3)n2C)sc2ccccc12 12567579 HNEPAVIPVKJNPQ-UHFFFAOYSA-N 343.477 4.191 0 40 EIAB CN(Cc1nc2ccccc2[nH]1)c1ncc(C(F)(F)F)cc1Cl 12804444 NWMYYLQDBPDTSP-UHFFFAOYSA-N 340.736 4.267 0 40 EIAB CC1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1 13373993 YEUHAZULDUVZLA-UHFFFAOYSA-N 336.343 4.055 0 40 EIAB endogenous,in-man CSc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1 13563475 ZYGLIUDAZVRFJY-UHFFFAOYSA-N 336.460 4.351 0 40 EIAB COCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1 13660972 ZEHIQPPQGCBJLA-UHFFFAOYSA-N 334.872 4.185 0 40 EIAB COc1ccccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 13724197 QNQKAGMQDSDLKU-UHFFFAOYSA-N 336.269 4.311 0 40 EIAB Cc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 14912202 YDZJJWJVCUVYPQ-UHFFFAOYSA-N 333.819 4.187 0 40 EIAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1C 17150274 QPLQPLGOQGHFDI-WJDWOHSUSA-N 325.389 4.245 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccc(OCc2ccccc2)cc1 19169441 GZVWMUWIBZRIAU-UHFFFAOYSA-N 336.391 4.052 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(F)cc1 20485402 NNMXPUDTRKOXQZ-QAPCUYQASA-N 329.415 4.477 0 40 EIAB C[C@@H](O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 22108657 VLDFAGCUTFJALJ-OAHLLOKOSA-N 339.410 4.471 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 22511796 VLDZTQYCTQSICO-LJQANCHMSA-N 339.479 4.437 0 40 EIAB C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(Cl)cc1 23269040 AOBSFVGHEQHDMV-CYBMUJFWSA-N 325.799 4.017 0 40 EIAB Cc1cccc(NC(=O)CNC(=O)CCCC2CCCCC2)c1C 25679800 OXSXJGPJFYXPLM-UHFFFAOYSA-N 330.472 4.109 0 40 EIAB CCOc1ccc(-c2noc(CN[C@@H](C)c3ccccc3F)n2)cc1 32777163 KMWKLEZRSAOBLY-ZDUSSCGKSA-N 341.386 4.125 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2ccccc2[nH]1 32818688 RCSJURFMZUUYII-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)n1 40089739 BKWRFGVSDANNIA-UHFFFAOYSA-N 331.828 4.456 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C)ccc1OC 44904890 VWQLPYMVVXXGQR-INIZCTEOSA-N 333.815 4.453 0 40 EIAB CCN(C[C@H]1CCCO1)c1ncnc2sc(-c3ccccc3)cc12 48290351 OGIUWRPPHOORMV-OAHLLOKOSA-N 339.464 4.364 0 40 EIAB Cc1nc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cs1 48341344 XXGPYCIOZDISEH-BZNIZROVSA-N 345.468 4.042 0 40 EIAB O=C(c1cccc(-c2nc3ccc(F)cc3s2)c1)N1CCCC1 59843056 HAAMTILYDHTAPW-UHFFFAOYSA-N 326.396 4.338 0 40 EIAB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)C1CCOCC1 65310124 QUTOUUZOSXUWID-UHFFFAOYSA-N 344.842 4.317 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 65516046 AVLKEEKKDXKCCZ-LBPRGKRZSA-N 340.320 4.097 0 40 EIAB O=C(Nc1cccc(OC(F)F)c1)[C@H](c1ccccc1)n1cccc1 70636925 GWOKJHIWJTZVHS-KRWDZBQOSA-N 342.345 4.318 0 40 EIAB COc1ccc([C@H]2CCCCCN2Cc2cn3ccccc3n2)cc1 71924155 XPANORKTEFVZQC-HXUWFJFHSA-N 335.451 4.460 0 40 EIAB Cc1cccc(C(=O)Nc2cc(N3CCCC3)c(N)cc2Cl)c1 72229052 DTKVXOYELCSJOF-UHFFFAOYSA-N 329.831 4.083 0 40 EIAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 72358940 UDJGYJLRJWKBBX-IBGZPJMESA-N 349.478 4.348 0 40 EIAB COc1ccc(-c2nc(CSCCc3ccccn3)co2)cc1 73641111 KXMOWGZHBZOYMB-UHFFFAOYSA-N 326.421 4.221 0 40 EIAB C[C@@H](Nc1cccc(N2CCOC2=O)c1)c1ncc(-c2ccccc2)o1 76084279 XTQIWINDMXBIGZ-CQSZACIVSA-N 349.390 4.471 0 40 EIAB Cc1ccc(C)c(CC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 78462737 OSRKCWCRCVRKDG-FQEVSTJZSA-N 347.462 4.394 0 40 EIAB CC(C)COCCCNC(=O)Nc1ccc(N2CCC(C)CC2)cc1 85387122 NFDVUVIDLCSTLA-UHFFFAOYSA-N 347.503 4.107 0 40 EIAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1cccc(Cl)c1 85397457 MKNTYEXDBDTDCN-UHFFFAOYSA-N 332.783 4.298 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 88350967 DHJGISXDCKIPDA-NSHDSACASA-N 347.365 4.114 0 40 EIAB C[C@@H]1COc2ccccc2CN1Cc1nc2cc(Cl)ccc2n1C 96007885 FGNBRCWZQRXOIQ-CYBMUJFWSA-N 341.842 4.010 0 40 EIAB O=C1c2ccccc2[C@H]2C[C@H](Oc3ccccc3)N1N2c1ccccc1 96318812 KCCOAQWYRISVFM-RTWAWAEBSA-N 342.398 4.414 0 40 EIAB COc1ccc(C(=O)NCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 100872825 SSKGQYPTOKCOFG-CXTCDGGRSA-N 333.859 4.003 0 40 EIAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 102202697 GCLRGSOQPXHGPU-YFCNSXCBSA-N 345.826 4.001 0 40 EIAB CC(C)c1noc(-c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)n1 106324776 OECHFVYCKPBPBF-UHFFFAOYSA-N 348.406 4.408 0 40 EIAB CC(C)C(=O)NC[C@H]1CCCN([C@H](C)CCSc2ccccc2)C1 107157860 GKVCLBCFBQHXGF-QZTJIDSGSA-N 348.556 4.042 0 40 EIAB C[C@@H]1N=C(c2ccccc2F)c2cccn2-c2cc3c(cc21)OCCO3 225374964 QFEIJIUJMRDSBR-ZDUSSCGKSA-N 348.377 4.300 0 40 EIAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)c(C)n1 225911058 UQHNWJQIVPTREV-FOIQADDNSA-N 348.487 4.493 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1cncnc1-c1ccccc1 390834270 VNEVPFJKYDINQZ-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(Cl)cc1 408806059 ABFOEBNXSCVZAV-UHFFFAOYSA-N 333.795 4.242 0 40 EIAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(C)C2=O)cc1Cl 409014007 OLDKGGRXGOLHPB-NTEUORMPSA-N 332.812 4.105 0 40 EIAB CCc1ccc(-n2c(C)nnc2SCC(=O)c2ccccc2)cc1 409096379 KDWOLXVZCOBGNH-UHFFFAOYSA-N 337.448 4.113 0 40 EIAB CO[C@H](CNC(=O)c1ncsc1C(C)C)c1ccc(Cl)cc1 585084915 BTWCCJIFNUVVBC-CYBMUJFWSA-N 338.860 4.037 0 40 EIAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCCCc2ccccc21 624676338 BGESVMBKUASIEX-MRXNPFEDSA-N 327.449 4.295 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 107241 SEOIUJSAJOELLT-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CCOC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 132281 LBTDFKNJUIGHPH-NSHDSACASA-N 344.461 4.402 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)c1 277371 JGJKONXNDZFCFV-VAWYXSNFSA-N 346.386 4.492 0 40 EIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2ccccc2c1 500042 QRJLYXJVAKTYAL-LJQANCHMSA-N 335.359 4.138 0 40 EIAB Cc1ccccc1C(c1ccccc1C)C(CC(=O)O)CC(=O)O 1601993 UTXJBHLWUVZUDU-UHFFFAOYSA-N 326.392 4.001 0 40 EIAB CCOCCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 2400607 YAUVFNQPKIHSHR-UHFFFAOYSA-N 346.434 4.382 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(Cl)cc1 2616515 BUKRXZXJECRYGG-UHFFFAOYSA-N 340.810 4.276 0 40 EIAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1OC 3093770 UCDJVHMPRYNNTL-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB O[C@]1(C(F)F)[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 5275066 NRVPYWNFAOVQDB-QFYYESIMSA-N 337.395 4.006 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc12 5440538 OXCIPMANTJEVER-UHFFFAOYSA-N 330.387 4.219 0 40 EIAB O=C(COc1cccc2cccnc12)Nc1ccc(F)c(Cl)c1 5847323 FEIDMWDXINLLAO-UHFFFAOYSA-N 330.746 4.045 0 40 EIAB O=C(Nc1ccccc1F)c1cc(Br)ccc1Cl 5898639 LVGUPTRLVYUMHB-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1ccc2c(COC(=O)CCc3ccccc3)cc(=O)oc2c1C 6375411 WGTITVVZAZYLLU-UHFFFAOYSA-N 336.387 4.086 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)OCCCO2 8074131 SDXFEZZKFMZDCA-UHFFFAOYSA-N 349.386 4.019 0 40 EIAB COc1cccc([C@H]2CCCN2CC(=O)Nc2c(C)cccc2C)c1 8752048 IGKOXTBEGNNGED-LJQANCHMSA-N 338.451 4.088 0 40 EIAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1 8876379 NBPSCNCEZRKNLS-CXAGYDPISA-N 344.480 4.056 0 40 EIAB COc1cc(N)c(Cl)cc1C(=O)OCc1ccc(F)cc1Cl 10550949 OUZBBEYSOSJKMD-UHFFFAOYSA-N 344.169 4.080 0 40 EIAB Cc1cnc(NC(=O)c2ccccc2OCc2ccc(F)cc2)s1 10622971 WFCGHVWILGBTJA-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB O=C(CCc1cccnc1)Nc1cccc(/C=C/c2ccccn2)c1 12521974 XAMVNQVJXHBNBV-PKNBQFBNSA-N 329.403 4.218 0 40 EIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3F)ccc2o1 12735901 RIRCCYAGONRIFV-VIFPVBQESA-N 347.777 4.368 0 40 EIAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3Cl)ccc(F)c21 13001092 IZDFONQAWBBHPF-SNVBAGLBSA-N 347.773 4.187 0 40 EIAB O=C(O)c1cccc(CSc2nnc(Nc3ccccc3)s2)c1 13062075 FARBATNXUAUBGF-UHFFFAOYSA-N 343.433 4.272 0 40 EIAB Cc1ccnc(-n2c(C)c(C)c3c(NCc4ccccc4)ncnc32)c1 13723244 ABRYFXBNYBGSBT-UHFFFAOYSA-N 343.434 4.353 0 40 EIAB Cc1nc2sccn2c1CN(CCCOC(C)C)Cc1ccco1 13992994 UMWGZFVCUREFDL-UHFFFAOYSA-N 347.484 4.115 0 40 EIAB O=C1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 16926150 ZQUGMIAJVLYXEU-WQLSENKSSA-N 332.186 4.340 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(OC(C)C)cc1 20049118 GVAAHYUTKQGRQC-IBGZPJMESA-N 341.451 4.256 0 40 EIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1F 20137732 JPRFEWHQOHWFFL-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB O=C(O)c1cn(Cc2cccc(Br)c2)c2ccccc12 20555325 MQBKMNXXAGZSGY-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB Cc1ccc([C@H](NC(=O)[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1 23683819 LZMLYMKRCLFSMF-JKSUJKDBSA-N 334.246 4.394 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)o1)c1cccc(Br)c1 27736859 PAGIOLLQPLRSLA-QMMMGPOBSA-N 328.593 4.187 0 40 EIAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 29214201 BYVDOYXVOIBTKY-UHFFFAOYSA-N 339.435 4.162 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2)c1 36367040 YMYJRIZVZPVWNE-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C 36620963 MEKSLWUMDBBUQS-GOSISDBHSA-N 349.883 4.483 0 40 EIAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(-c3ccccc3)c(C)c2n1 40216650 KDGWSTQSEJCRHX-HUUCEWRRSA-N 334.467 4.495 0 40 EIAB Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 49170576 USXDSZHOZDHTMM-INIZCTEOSA-N 337.398 4.174 0 40 EIAB biogenic,in-vitro Cc1ccc(OC2CCN(Cc3nnc(C(C)(C)C)o3)CC2)cc1C 51992328 VTNTWRVTYAYUAM-UHFFFAOYSA-N 343.471 4.027 0 40 EIAB Cc1nc2ccc(C(=O)N3CCC[C@H]3C3CCCCC3)cc2nc1C 55600005 NEQBBFDOEYUVHI-FQEVSTJZSA-N 337.467 4.432 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 56173105 SGBQWUGGHXSWMG-UHFFFAOYSA-N 344.842 4.050 0 40 EIAB CCN(CC)C(=O)C1CCN([C@@H](C)c2cccc3ccccc23)CC1 58524169 XAHFJJHOTJMJOB-KRWDZBQOSA-N 338.495 4.481 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 58611505 HKJCRAYSFAWBKF-HNNXBMFYSA-N 347.462 4.370 0 40 EIAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(Cl)o4)C3)[nH]c2c1 67158635 MDRPLUWQPVOCRR-LBPRGKRZSA-N 343.814 4.138 0 40 EIAB CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(F)ccc21 67245466 HIFIBOMMERQECO-UHFFFAOYSA-N 349.365 4.186 0 40 EIAB Cc1ccc(-c2noc(C[S@](=O)Cc3ccccc3Cl)n2)cc1 69350877 RQQVEWPNHSTTRI-QHCPKHFHSA-N 346.839 4.147 0 40 EIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 69702952 GSPNDJJRGYFDQD-OAHLLOKOSA-N 339.439 4.478 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CCC[C@H]2CCCC[C@H]21 71828329 BFUPXUYQWFEELJ-NVXWUHKLSA-N 326.440 4.332 0 40 EIAB Cc1cccc(C)c1NC(=O)N1CCC[C@H](CN2CCCC[C@@H]2C)C1 71911715 IGPYNVWOPXOSNE-RBUKOAKNSA-N 343.515 4.422 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NCCCCN(C)c2ccccc2)C1(C)C 72017277 ZCPAHDQDKSFPLY-OALUTQOASA-N 328.500 4.258 0 40 EIAB COc1cccc(CN(C)C(=O)c2cccc(Oc3ccncc3)c2)c1 72281463 AGHIUPKEFXVOOB-UHFFFAOYSA-N 348.402 4.155 0 40 EIAB Cc1cc(C)n2cc(CN(Cc3ccc(C)s3)C(C)C)nc2n1 77482568 VZLJAVJSAAHMFW-UHFFFAOYSA-N 328.485 4.127 0 40 EIAB O=C(NCc1cccc2ccccc12)C1(c2ccccc2)CCOCC1 78778281 UEIWXTOIFYNODT-UHFFFAOYSA-N 345.442 4.204 0 40 EIAB Cc1nc(C2CCN(C(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)no1 89718227 NPWBLWAABGBBLY-AWEZNQCLSA-N 349.434 4.041 0 40 EIAB C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc2ccccc2n1 89905146 SWJZHMCQBRRLHF-QGZVFWFLSA-N 342.446 4.330 0 40 EIAB O=C(Nc1cccc(NC(=O)N2CCCCCC2)c1)C1=CCCC1 95414988 KARQKXHALVGNOG-UHFFFAOYSA-N 327.428 4.143 0 40 EIAB Cc1noc(C)c1CNC(=O)N(C)C1c2ccccc2-c2ccccc21 95963320 NZIXWHZOGUGVAY-UHFFFAOYSA-N 347.418 4.203 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@H](OC)c2ccccc2C)cc1 96104988 QTMALEWKOZETFZ-FQEVSTJZSA-N 341.451 4.291 0 40 EIAB CCn1ccnc1CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 97227730 NZYPNFLLQJYDAX-IBGZPJMESA-N 341.842 4.250 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21 113959924 LGWVMDXJBHXCBW-ZWKOTPCHSA-N 327.399 4.177 0 40 EIAB C[S@](=O)Cc1cc(NCc2ccc(F)c(F)c2)ccc1Cl 195559033 QTAGRARXCDBLLT-NRFANRHFSA-N 329.799 4.109 0 40 EIAB COC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 196383317 WSZMIMPAXCOQKN-UHFFFAOYSA-N 345.398 4.321 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219566758 XFXHMRGXBQLHNT-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)CN1C(=O)c2cccc3cccc1c23 223828348 QUKYGFYTZMQKHF-UHFFFAOYSA-N 338.451 4.131 0 40 EIAB COc1cc(C)c(C(=O)Nc2ccc(NC(C)=O)cc2)cc1C(C)C 225659970 YLLBKJIQNIMOIY-UHFFFAOYSA-N 340.423 4.338 0 40 EIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 408682302 WZZSRAUFBASUCI-UHFFFAOYSA-N 347.480 4.490 0 40 EIAB O=C(Nc1c(F)cccc1F)N1CCc2sc(Cl)cc2C1 575615688 HALADJYWVHZIDY-UHFFFAOYSA-N 328.771 4.270 0 40 EIAB Cc1nc(-c2nccs2)cc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 585179629 REWPVQAASSLQTH-OAHLLOKOSA-N 344.484 4.008 0 40 EIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](c2ccccc2)C1 1129092909 XFAAXPDWYYXYDX-FQEVSTJZSA-N 330.431 4.497 0 40 EIAB Cc1cc(C(N)=O)ccc1NCc1ccc(-c2ccc(F)cc2C)o1 1651634484 QLHCOKOYRGSLSH-UHFFFAOYSA-N 338.382 4.414 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)Nc1ccccc1Cl 1775965399 HOPOPHKKKIRGSO-ZDUSSCGKSA-N 346.770 4.048 0 40 EIAB Cc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C)c1C 84106 PWECGQBIBODCHR-UHFFFAOYSA-N 346.394 4.425 0 40 EIAB Sc1n[n+](-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 162110 AGRIRCWNOAAXBP-UHFFFAOYSA-O 330.436 4.105 0 40 EIAB BrC(Br)(Br)Cc1ccccc1 162184 BZQONKLQDOHILP-UHFFFAOYSA-N 342.856 4.068 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1ccccc1Br 252989 QYJDLYOZOIVGRM-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1cccc(Br)c1 472065 PWICDZMIYBLWBQ-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB CC[C@@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 489235 ASXWUIINODHLRO-GFCCVEGCSA-N 341.407 4.003 0 40 EIAB biogenic CCCOc1ccc([C@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1817884 PRFDGICCQOULOE-VXKWHMMOSA-N 339.479 4.388 0 40 EIAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[C@H](C)C2 5454686 MFBIHHKSODRBQO-NSHDSACASA-N 337.485 4.424 0 40 EIAB Cc1ccc([S@](=O)c2snnc2-c2ccc(Cl)cc2)cc1 5617861 WFEYNVKISKRTIG-OAQYLSRUSA-N 334.853 4.334 0 40 EIAB CCCn1c(NC(=O)c2cnc(Cl)c(Cl)c2)nc2ccccc21 6153929 ITWLDKACPITCAC-UHFFFAOYSA-N 349.221 4.400 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CSCc1ccccc1F 6313853 GRMRIMLKLMHFAT-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Cl)cc1 6810803 ILGKDPNDTCSDKQ-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB Cc1ccc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 7007800 JWFXTHDHEHYFNC-UHFFFAOYSA-N 325.408 4.241 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)cs1 7445132 WYDCDLRQYWSVRD-GOSISDBHSA-N 336.416 4.061 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 8040894 ZIHIWUXJWYSJJA-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB COc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)cc1 8742754 UFWYUIILNHQFIM-OAQYLSRUSA-N 340.467 4.476 0 40 EIAB biogenic C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(Cl)ccc1Cl 8751280 ZBANINAEDZKMNW-UHFFFAOYSA-N 347.201 4.059 0 40 EIAB CCc1cccc(N(C(=O)Nc2ccccc2OC)C2=NCCC2)c1 9316140 WYKWAIVTHVNCRU-UHFFFAOYSA-N 337.423 4.488 0 40 EIAB Cc1cnc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cn1 12803118 NWXRVTQCFDMFMN-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@@H](C)C3CC3)c(C)c12 12865321 NIUHNMOVKXFKQC-JTQLQIEISA-N 331.485 4.134 0 40 EIAB Cc1ccc(C)c([C@@H](C)N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 12930700 HKVMECSBZKQILW-QRWLVFNGSA-N 340.442 4.113 0 40 EIAB O=S(=O)(c1ccccc1Oc1ccc(Cl)cc1)C(F)(F)F 12948336 MUCYAOYWPUEHRA-UHFFFAOYSA-N 336.718 4.426 0 40 EIAB O=C(Nc1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1 13000628 UULKAHALCAOGCB-UHFFFAOYSA-N 340.379 4.392 0 40 EIAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)C)c1 13713440 AVJCNSJIGDKYLY-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1nc2c(C)ccc(C)c2s1 14258011 MXBXNHJMEMJOEZ-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB CCn1c2ccccc2c2cc(NC(=S)NCCCOC)ccc21 16220623 MPHBWDQKKCAIRT-UHFFFAOYSA-N 341.480 4.137 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1C 19736770 CPVBPROXDWRAPQ-UKRRQHHQSA-N 326.440 4.497 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 20450637 PNMWUSCTZLATEN-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1Cl 20485654 JOUSCCQDSAJWHQ-DHZHZOJOSA-N 343.810 4.477 0 40 EIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C 22540294 CORPNNNJNZTUPY-AWEZNQCLSA-N 337.872 4.305 0 40 EIAB Cc1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 26021385 QZZSCPKZZMSRQR-UHFFFAOYSA-N 341.414 4.264 0 40 EIAB Cc1cc(NC(=O)[C@H](Nc2cc(F)cc(F)c2)c2ccccc2)no1 32851126 ZKZGJSHPKVKATM-QGZVFWFLSA-N 343.333 4.053 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2cccc(F)c2F)C1 36357930 SXSUNFSOKIAGHE-CYBMUJFWSA-N 343.308 4.413 0 40 EIAB Cc1ccc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)cc1Cl 36847519 VQVMLUZYXASLIP-UONOGXRCSA-N 339.936 4.198 0 40 EIAB CC1(C)CCCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)C1 39745027 UYLFTVJVWPMMRA-UHFFFAOYSA-N 348.918 4.201 0 40 EIAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1C 41096709 PPTNGWMGJHOFAS-LLVKDONJSA-N 336.284 4.255 0 40 EIAB CCCNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 41128091 SJOHUMJHVYBSTN-ZDUSSCGKSA-N 330.255 4.031 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 43568662 HDDRWPYAHUTKBJ-UHFFFAOYSA-N 342.342 4.403 0 40 EIAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccccc1Cl 45891114 IPEDQSVCSPBTSM-UHFFFAOYSA-N 347.871 4.119 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 48064882 LKQJHYYZPVEYSS-RUNBWSAHSA-N 344.436 4.207 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1Cl 57406375 CNOJHUIZJLSGMJ-OLZOCXBDSA-N 344.842 4.127 0 40 EIAB O=C(NCc1cccc2cccnc12)N1CCC[C@@H]1Cc1ccccc1 68841341 MDMCJZUSULPBRO-HXUWFJFHSA-N 345.446 4.152 0 40 EIAB O=[S@@](Cc1ccc(F)cc1)Cc1csc(Cc2ccccc2)n1 69739008 ZJYYERPTBYHNEY-HSZRJFAPSA-N 345.464 4.322 0 40 EIAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)[C@H]1CCCO1 69809416 FXJYGPGIKKSCRF-MRXNPFEDSA-N 341.798 4.001 0 40 EIAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72218889 AJEUWMSSIHYOCR-QGZVFWFLSA-N 345.487 4.452 0 40 EIAB CCn1ccc2ccc(NC(=O)c3ccc(-c4nnc(C)o4)cc3)cc21 73880165 QNJUDJYOURQWOR-UHFFFAOYSA-N 346.390 4.272 0 40 EIAB C[C@@H](NC(=O)CCCc1ccccn1)c1ccc(C(F)(F)F)cc1 89904760 GXDJTSRUAGLKGP-CYBMUJFWSA-N 336.357 4.301 0 40 EIAB CC1(C)CN(C(=O)C[C@H]2CCOc3ccccc32)Cc2ccccc21 89919681 OSTKMJYREZYDMN-MRXNPFEDSA-N 335.447 4.263 0 40 EIAB Cc1cccc2c1OCCC[C@@H]2NCc1nccn1Cc1ccccc1 95423420 JSQILKVMBQOOIS-FQEVSTJZSA-N 347.462 4.243 0 40 EIAB O=[S@](CCc1ccccc1)Cc1csc(Cc2ccccc2)n1 96404350 QVCWDYLVUHCCEZ-QHCPKHFHSA-N 341.501 4.225 0 40 EIAB Cc1nnc(S[C@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)c2ccccc12 100987836 WSRUDUWCAAXFNN-QOKNQOGYSA-N 326.465 4.424 0 40 EIAB CCOc1ccc(C[C@@H]2C(=O)Nc3ccc(C)cc32)cc1OCC 101016709 NFSFZBTUDCHSQI-INIZCTEOSA-N 325.408 4.071 0 40 EIAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102324678 KNWNEBVCQGFQPM-MPXAEWJHSA-N 327.346 4.140 0 40 EIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 222780236 OUDVXPYTJOESBQ-ROUUACIJSA-N 342.512 4.073 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1Cl 224552763 DEQUTTHTVYSMBA-LBPRGKRZSA-N 333.815 4.238 0 40 EIAB Cc1ccc(SCCNC(=O)CCc2ccc(Cl)cc2)cc1 225302350 YUBSPMHSMHGMAU-UHFFFAOYSA-N 333.884 4.490 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccccc2OC)cc1Cl 225516170 XFJHVBZJIPFGFN-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB COc1cc(CNC(=S)Nc2ccc(F)cc2)ccc1OC(C)C 225530797 XNGPWNUJFJRDLG-UHFFFAOYSA-N 348.443 4.108 0 40 EIAB CCOc1ccccc1NC(=S)NCCCc1ccc(F)cc1 225546581 OOJQFBZKODHXKM-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB CC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccc(OC)c(C)c1 225765128 VLJVQSBUHNHZRO-KRWDZBQOSA-N 328.412 4.285 0 40 EIAB CCc1ccc(CC(=O)NCCSCc2ccccc2C)cc1 225776884 VEXKPLLFCYQQEE-UHFFFAOYSA-N 327.493 4.150 0 40 EIAB CCC1(NC(=S)Nc2cccc(Br)c2)CCCC1 225845727 ISAHZLRZZKPDEQ-UHFFFAOYSA-N 327.291 4.458 0 40 EIAB CCC1(NC(=S)Nc2ccc(OC)c3ncccc23)CCCC1 225877426 BFSUXVARBBCMED-UHFFFAOYSA-N 329.469 4.253 0 40 EIAB COc1ccccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409135746 SCLVMWRFFYLNGX-LFIBNONCSA-N 331.437 4.312 0 40 EIAB O=C(Nc1ccc(NC[C@H]2CCCCO2)cc1)N1CCCCCC1 585140217 AASKGNOETXWSKQ-GOSISDBHSA-N 331.460 4.076 0 40 EIAB CSCc1cccc(NC(=O)c2sc([C@H]3CCOC3)nc2C)c1 601140516 WWWDGYKEVRXAGJ-ZDUSSCGKSA-N 348.493 4.071 0 40 EIAB C[C@@H](NC(=O)/C(Br)=C/c1ccccc1)c1ccccc1 113679 GIPHXUNZIFRSGR-OPCAMPFDSA-N 330.225 4.300 0 40 EIAB CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C(C)C 410494 XHRGWOQBHUTGSC-UHFFFAOYSA-N 346.500 4.159 0 40 EIAB O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 1687238 XVAQOLJMMPBKGC-UHFFFAOYSA-N 332.428 4.480 0 40 EIAB CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccc(N(C)C)cc1 2278126 ILQSIKUHHWRPJW-KRWDZBQOSA-N 343.404 4.282 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 3223287 NYMJVSHKKNVHNP-PLSXKVAHSA-N 343.448 4.457 0 40 EIAB O=C(COc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 4249016 GOSBQWXSVCSNBL-UHFFFAOYSA-N 349.415 4.080 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C1CCCCC1 4305110 WMQGBZKHHMUAJL-IBGZPJMESA-N 338.451 4.080 0 40 EIAB CCSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 4515973 SLUMIILAWCPLDV-UHFFFAOYSA-N 330.840 4.210 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)n2)cc1 5183497 UVYQBTLBVRGIGB-UHFFFAOYSA-N 345.449 4.144 0 40 EIAB Fc1cc(Br)ccc1COc1ccc(-c2nnco2)cc1 5429330 FATRMDGRHKMMOY-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB CN(C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1Cl 5573648 ZUSLYFXPBPWQOH-NHYWBVRUSA-N 330.255 4.271 0 40 EIAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)cc(C)c1Cl 5924548 CTDOWSZXWPETSE-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB S=C(NCc1nc2ccccc2[nH]1)Nc1cccc2ccccc12 6084835 NJZHRTYZRDQKKI-UHFFFAOYSA-N 332.432 4.203 0 40 EIAB CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 6951419 LDRHAGWVPBHRDT-NTCAYCPXSA-N 345.402 4.421 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cl)c1 7944663 GETBUBSKFSRVJZ-SFHVURJKSA-N 340.810 4.243 0 40 EIAB Cc1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1Br 8076763 QNHMXAXMUIDRPF-UHFFFAOYSA-N 329.197 4.491 0 40 EIAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 8343981 UUCHXIZMEJCZES-INIZCTEOSA-N 345.830 4.125 0 40 EIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cccc(C)c1 8587056 SAEIXKHIYAXZFC-HXUWFJFHSA-N 333.435 4.076 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(F)cc1 8941930 FFXLYHICQVUDGS-VIFPVBQESA-N 340.167 4.218 0 40 EIAB COc1ccc(-c2cnc(C(=O)Nc3ccccc3SC)o2)cc1 9321669 MSGDZPXCWONOBK-UHFFFAOYSA-N 340.404 4.324 0 40 EIAB COc1ccc(N(Cc2cccs2)C(=O)c2c(C)noc2C)cc1 9459888 IKJPYJFLYHRUOS-UHFFFAOYSA-N 342.420 4.209 0 40 EIAB CCOCc1c(C(=O)Nc2ccccc2OC)oc2ccccc12 9484180 FBJNMYNNIZMVQT-UHFFFAOYSA-N 325.364 4.230 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCc2ccccc21 9732875 HPLKRFBQNFXHMJ-GOSISDBHSA-N 332.403 4.078 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 12536924 UTDSQWMVJVGIGA-IYBDPMFKSA-N 345.446 4.415 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 12865801 AHGFBPQSDDOKKH-JKSUJKDBSA-N 326.440 4.077 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)o2)cs1 12879162 BSBVQOPYYDJUAQ-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB Fc1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 19344874 KQBBNWPOVFZYTE-UHFFFAOYSA-N 343.427 4.317 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cc(Br)c[nH]2)c1 21006813 CTJGIKMLXTVJKP-UHFFFAOYSA-N 337.217 4.033 0 40 EIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2ccccc2[nH]1 22066570 AUMMVKBSUPQTDQ-GFCCVEGCSA-N 343.427 4.014 0 40 EIAB O=C(OCc1ccccc1)N1CCN[C@H](c2ccc3ccccc3c2)C1 22115403 DCPWXMLNFIRAEC-NRFANRHFSA-N 346.430 4.123 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(C)cc1 22527729 LEMCXOIYSWPIRV-OAHLLOKOSA-N 329.465 4.191 0 40 EIAB Cc1c(C(=O)Nc2ccccc2N2CCCC2)cnn1-c1ccccc1 28009849 XBXDWMITMIBWPO-UHFFFAOYSA-N 346.434 4.033 0 40 EIAB C[C@@H](C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1)n1cccn1 28504816 SWLWUTPAISRCOT-MGPUTAFESA-N 345.402 4.096 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CCCCCC1 31903801 LAPCUEQZGCNZMI-UHFFFAOYSA-N 336.284 4.303 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc2ccccc12 32768046 PVRHDGVZFHNTAE-UHFFFAOYSA-N 335.451 4.490 0 40 EIAB Cc1csc(NC(=O)c2ccc(SCc3cccnc3)cc2)n1 32924055 AERGFGJTZPYEMG-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB Fc1ccc(/C=C/c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 35324077 ONGHACWDDZTSMC-RMKNXTFCSA-N 340.358 4.301 0 40 EIAB Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 36714809 ZYDOBWVFYOOIDI-OAQYLSRUSA-N 348.471 4.388 0 40 EIAB CCN(C(=O)CNc1ccc(SC(F)F)cc1)c1ccccc1 40005736 QXVSFBFDYMAUAS-UHFFFAOYSA-N 336.407 4.466 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccc(F)cc1 40058063 IJCMJBPWZPXNBZ-UHFFFAOYSA-N 336.794 4.160 0 40 EIAB O=C(Nc1cccc(Oc2ncccn2)c1)NC1CCCCCC1 44245738 DTJOZWDBAUJHLO-UHFFFAOYSA-N 326.400 4.113 0 40 EIAB O=C(CCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 45221494 DZKIOFLRMOOKEW-HSZRJFAPSA-N 345.442 4.486 0 40 EIAB Fc1ccc([C@@H](NCc2nc(-c3ccco3)no2)c2ccccc2)cc1 55855306 YBAOXSQFAGEKBK-IBGZPJMESA-N 349.365 4.348 0 40 EIAB Cc1cc(NC(=O)CCc2ccc(F)cc2)n(-c2ccc(F)cc2)n1 58162932 URKILEISQVQPTB-UHFFFAOYSA-N 341.361 4.030 0 40 EIAB CSc1ccc(CN(C)Cn2cnc3cc(C)c(C)cc32)cc1 58165438 QOIWBKCXTBEKMV-UHFFFAOYSA-N 325.481 4.465 0 40 EIAB CN(C)CCN(CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1 58438280 WCVOYAFFNDFEMY-UHFFFAOYSA-N 337.895 4.316 0 40 EIAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc3c(c2)COC3)cs1 61340536 IXJIXADGMGHAPG-AATRIKPKSA-N 338.388 4.085 0 40 EIAB CCc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1 63790247 QBXVLLJAJYDIBM-HNNXBMFYSA-N 328.481 4.311 0 40 EIAB O=S(=O)(NCc1ccc2ccccc2c1)C1=Cc2ccccc2CC1 69981189 NBKMOQPZJARLRD-UHFFFAOYSA-N 349.455 4.247 0 40 EIAB CC1(C)CC(NCc2csc(-c3ccsc3)n2)CC(C)(C)N1 70928272 CBHNLMXMZCDUFU-UHFFFAOYSA-N 335.542 4.270 0 40 EIAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 71768891 ZNHCZRTTWGKRCU-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB Cc1nc(-c2cccc(C(=O)N[C@H](C)c3nccs3)c2)cs1 80083513 NJPOAISQMYXQJK-SNVBAGLBSA-N 329.450 4.066 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=S)NCc1cccs1 84129153 OANJCNLKCXOEIU-AWEZNQCLSA-N 334.510 4.327 0 40 EIAB C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 84651628 PEHSZQSXMONZJG-OYLFLEFRSA-N 348.512 4.017 0 40 EIAB Cc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)cc1C 85651267 PVUVKFSZHUMBIJ-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 86278391 JVCJQLDNNSNLMV-MSOLQXFVSA-N 344.480 4.315 0 40 EIAB O=C(c1ccc(Br)cc1)[C@@H]1N=NC[C@H]1c1ccccc1 100183656 BKJQXHLZKYAJHO-LSDHHAIUSA-N 329.197 4.250 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc(F)cc1 100943989 HDQXJYPBEJVKLX-FPAYPSAMSA-N 337.394 4.008 0 40 EIAB Cc1cc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1Br 107890382 IVDFAQJGBZGLFB-JTNHKYCSSA-N 339.302 4.233 0 40 EIAB O=C1COc2ccc(/C=C(\Cl)c3nc4cc(F)ccc4o3)cc2N1 195306461 KSJLMKBFFHPJOP-WZUFQYTHSA-N 344.729 4.035 0 40 EIAB CCc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1 218955194 YYSIISUSJRDUDK-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccccc1 224359112 IROQDHBFWBKXJA-OAHLLOKOSA-N 327.424 4.193 0 40 EIAB Cc1nc(C(C)C)ncc1C(=O)NC(c1ccccc1)c1ccccc1 225791518 MYXNEQJHRYDKAN-UHFFFAOYSA-N 345.446 4.428 0 40 EIAB COc1c(C(=O)NC2CCCC2)cc2ccccc2c1Br 226095997 IVBZIOKIMRAKFV-UHFFFAOYSA-N 348.240 4.283 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)c3c(F)cccc3F)CC2)o1 227163787 VBWVXMCNFUHPQP-UHFFFAOYSA-N 348.393 4.270 0 40 EIAB Cc1cc(CCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)on1 390825891 MMYSDTPHZUIOTO-UHFFFAOYSA-N 346.858 4.197 0 40 EIAB O[C@H](CNc1nc2ccccc2o1)c1ccc(-c2ccco2)s1 1775970171 FLHDQVJJHKNHBY-GFCCVEGCSA-N 326.377 4.295 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1C 236102 PFDZJBACKVJIHM-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CCOC(=O)c1ccc2ncc3c(C)nn(-c4ccccc4)c3c2c1 521852 MZKYZHVLHLZHRM-UHFFFAOYSA-N 331.375 4.059 0 40 EIAB Cc1ccc(NCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1512749 FFOCVQTWUPXXBX-WJDWOHSUSA-N 340.473 4.266 0 40 EIAB CCCCOc1ccccc1NC(=O)c1c(OC)cccc1OC 1777435 GFWBIZCEICMCSB-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB CCN(CC)[C@@H](C)COC(=O)C(c1ccccc1)c1ccccc1 2035698 UQSAURXCYOSILU-KRWDZBQOSA-N 325.452 4.092 0 40 EIAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 2093458 FIMLBDPZXBRGDH-WJDWOHSUSA-N 331.327 4.138 0 40 EIAB CCc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 3374289 WUSIXYBLZGLJOH-IBGZPJMESA-N 325.408 4.059 0 40 EIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc2ccccc12 3385809 YRWIYSNAEFBWMP-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB CC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 3549980 UEMYSVMOBGNVEU-CYBMUJFWSA-N 332.783 4.224 0 40 EIAB CSc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 4303510 INQYDPBVNYLFGI-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB CN(C)C(=O)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586174 OQEQPVUDFLODBK-UHFFFAOYSA-N 349.342 4.267 0 40 EIAB biogenic Cc1cccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1C 5394568 GKSYVSZZTDDBFY-UHFFFAOYSA-N 344.458 4.419 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 5869152 RFRSMMFOEFFNJO-UHSVVUDUSA-N 333.859 4.192 0 40 EIAB COc1cc(CNC(=O)Nc2cccc3ccccc23)cc(OC)c1 6145529 PIVNSJVVOSVUCX-UHFFFAOYSA-N 336.391 4.179 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(Cl)cc1Cl 6795016 YKVKJYGGCONHPB-NXEZZACHSA-N 332.300 4.458 0 40 EIAB CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)NCc2ccc(OC)cc2)cc1 7241160 OOVWRPYRUDHUNE-CVEARBPZSA-N 340.467 4.326 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 8127131 SQLVZRGBUYALHW-INIZCTEOSA-N 348.446 4.307 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)cc1 8316667 LYPBFEGZOSHYCA-MRXNPFEDSA-N 348.446 4.307 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2C)cc1 8480783 MUZYXFUTKWXIIG-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB COc1ccccc1-c1ccc(=O)n(Cc2cccc3ccccc23)n1 10220811 XPEVZCJFNIRJHT-UHFFFAOYSA-N 342.398 4.120 0 40 EIAB O=c1oc2ccccc2c(NCc2cccnc2)c1Cc1ccccc1 10313731 CUCDKHAKNZMGAP-UHFFFAOYSA-N 342.398 4.391 0 40 EIAB COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccccc3)ccc2c1 10495540 RJCNKNMWWFVDFB-HNNXBMFYSA-N 334.419 4.409 0 40 EIAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccoc1 10697940 JFVLLWGPFIXNGI-SFHVURJKSA-N 330.387 4.323 0 40 EIAB COc1cccc(-c2noc(CN3c4ccccc4CC[C@H]3C)n2)c1 12736833 KYSTVIBLPXVRIM-CQSZACIVSA-N 335.407 4.087 0 40 EIAB CSc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 12936052 KJSBBFKZFBQLSN-UHFFFAOYSA-N 337.448 4.463 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(Cl)c1 12989331 BOZPJNKRSBAARV-UHFFFAOYSA-N 325.795 4.302 0 40 EIAB Cc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13678421 RMDLYYRASVNUGF-UHFFFAOYSA-N 330.236 4.244 0 40 EIAB Cc1cccc(NC(=O)N(C)Cc2ccc(Br)s2)c1 14123404 PBIKRHVQCXFKPC-UHFFFAOYSA-N 339.258 4.483 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 14258435 KLOIFBCCDIYZLE-UHFFFAOYSA-N 344.414 4.429 0 40 EIAB C/C=C(\C)c1cc(O)c(C)c2c1Oc1cc(O)cc(C)c1C(=O)O2 14825738 ZPPIKBUIYSSQEH-WEVVVXLNSA-N 326.348 4.463 0 40 EIAB biogenic CCOc1cc(/C=C/C(=O)Nc2cccc(CC)c2)ccc1OC 15657651 KRBAGNRGNGZOJX-ZRDIBKRKSA-N 325.408 4.308 0 40 EIAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 19932756 CZFCZADYXKEQPL-UHFFFAOYSA-N 345.464 4.432 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 20490920 NGYJCESNRNKOTJ-GOSISDBHSA-N 327.424 4.498 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1Cl)NCC2 20506888 LBGFRIPGHHILSE-IBGZPJMESA-N 331.843 4.373 0 40 EIAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 21795049 NEXANOVJPQWMSA-NSHDSACASA-N 341.436 4.297 0 40 EIAB CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccccc1 22075794 NIDMRNKIDPGUOU-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB Cc1noc(-c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)n1 22461726 BXKOOUGEOLBBMH-DHZHZOJOSA-N 339.782 4.350 0 40 EIAB Cc1csc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)n1 29779316 UEFYEWGVZCZTHR-UHFFFAOYSA-N 338.436 4.075 0 40 EIAB COc1ccc2cc(C(=O)N(C)Cc3ccc(SC)cc3)[nH]c2c1 31208557 VRIJAPHBNAHWLQ-UHFFFAOYSA-N 340.448 4.171 0 40 EIAB O=C(C1CCC1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 36676167 HIBTXUVPBGGOMZ-UHFFFAOYSA-N 341.411 4.164 0 40 EIAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38833882 XFLLGSMEANELSU-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1noc2c1CCCC2 40157123 PXAGHCPYRKGHHK-LJQANCHMSA-N 346.430 4.267 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Br)c(N)c1 40301621 FUWRLRYTBWTXPB-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)c(Cl)c1 44903146 TUVSCQIVRRZHBV-DHZHZOJOSA-N 343.810 4.477 0 40 EIAB CC(C)(C)c1nnc(COC(=O)c2cc3c(s2)CCCCC3)o1 46838353 MWLDTVHBWWADJJ-UHFFFAOYSA-N 334.441 4.055 0 40 EIAB CCN(C(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1 47388705 DCTYVCWGZTYGBE-ZDUSSCGKSA-N 343.402 4.399 0 40 EIAB Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH]1 56309644 PDHQOMJLRIMDAB-VXGBXAGGSA-N 325.334 4.179 0 40 EIAB CN(CCOc1ccccc1)C(=O)c1cc2c(ccc3ccccc32)[nH]1 58345246 ZRZJYDBYYGIYHB-UHFFFAOYSA-N 344.414 4.472 0 40 EIAB CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CCC1 64034146 DDEBKNPXOVAWKF-UHFFFAOYSA-N 326.234 4.353 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 65530494 QZJMEIVRROYAGG-CMPLNLGQSA-N 343.452 4.224 0 40 EIAB CC(C)c1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 69519157 QLOBYZHBJABHGC-UHFFFAOYSA-N 345.446 4.443 0 40 EIAB Fc1ccc2ncn3nc(Cc4c(Cl)cccc4Cl)nc3c2c1 71282826 XNSKNLSBYYIDOW-UHFFFAOYSA-N 347.180 4.314 0 40 EIAB C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1c1nccs1 72291659 HOFPJNAFQMAWES-CZUORRHYSA-N 332.444 4.215 0 40 EIAB Cn1ccc2c(NC(=O)Cc3csc(-c4ccccc4)n3)cccc21 72400548 ZJNQIFWBVAAVMH-UHFFFAOYSA-N 347.443 4.483 0 40 EIAB C[C@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 76316503 WHMBRLRRYWDUCD-HNAYVOBHSA-N 339.439 4.160 0 40 EIAB COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1OC 77180133 FGPHCVVQJDJSLV-HNNXBMFYSA-N 344.411 4.446 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2c(C)noc2C)c1 89672837 HSMXVUGUMQRDPZ-UHFFFAOYSA-N 349.390 4.104 0 40 EIAB COCOc1ccc(OC)cc1CN[C@@H](C)c1cccc(Cl)c1 89905207 ZHDYRFGKIWPBRN-ZDUSSCGKSA-N 335.831 4.182 0 40 EIAB c1ccc2c(c1)SCC[C@@H]2NCc1ccc(Cn2ccnc2)cc1 95420156 ADZVKHKUAOJZKV-IBGZPJMESA-N 335.476 4.258 0 40 EIAB COc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1NC(C)=O 95421460 NIZOANPRMCHXEX-CYBMUJFWSA-N 338.407 4.251 0 40 EIAB C[C@H]1CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C2=C(O)C1 102602563 GXIMBOBVUBELFW-XPTSAGLGSA-N 348.328 4.214 0 40 EIAB CCc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1OC 113971108 RREOTTQUDPHUJC-UHFFFAOYSA-N 333.453 4.182 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(F)cc1 225378357 DGGFTXMROABIBQ-UHFFFAOYSA-N 341.810 4.168 0 40 EIAB CCCSc1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 225636098 UHAMCAJXJCUEPI-UHFFFAOYSA-N 333.482 4.171 0 40 EIAB CC[C@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OC 225787529 GMKXQUVTSQNLGO-ZDUSSCGKSA-N 333.428 4.169 0 40 EIAB CC[C@H](C)O[P@@](=O)(O[C@H](C)CC)[C@H](O)C(Cl)(Cl)Cl 254450710 YNPDVDFFTXYYSL-GSPBMFHYSA-N 341.599 4.498 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2Cl)S1 260788409 ZWDRDVQDXSTWIW-HFBAOOFYSA-N 329.856 4.324 0 40 EIAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1ncc(-c2ccc(Cl)cc2)o1 530179844 ODHVLQUCZTXYHS-RYUDHWBXSA-N 348.830 4.069 0 40 EIAB CC(C)C[C@@H](NC[C@H](O)C(F)(F)F)c1cccc(C(F)(F)F)c1 545894529 CVFYDQSHNBKZLA-OLZOCXBDSA-N 343.311 4.305 0 40 EIAB c1ccc2c(CN3CCC(c4cccc5nccn45)CC3)c[nH]c2c1 1848353155 TVNUTVMDTBCLGB-UHFFFAOYSA-N 330.435 4.195 0 40 EIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)OCC 160156 ZRXPZLZGBDKDHL-UHFFFAOYSA-N 335.450 4.325 0 40 EIAB Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccccc1 530654 PDHSYNHJTRLCHU-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1 1777935 FYFVVAHDAYECOC-KPKJPENVSA-N 341.407 4.145 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccc3nc(C)sc3c2)c1 2640130 XDXJBBKGGLAFNQ-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB CCCNC(=O)c1cccc(COc2ccccc2Br)c1 2752951 NHCMPUXSJWOVQZ-UHFFFAOYSA-N 348.240 4.168 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 3415289 ZEZBVVOFRLCJGN-OAHLLOKOSA-N 339.313 4.381 0 40 EIAB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1Cc1cccs1 4173546 QOQFOOITYCIKOO-UHFFFAOYSA-N 327.792 4.351 0 40 EIAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc(F)cc1 4287950 OANQECHFCVYUED-JTQLQIEISA-N 348.834 4.305 0 40 EIAB C/C(=C\c1ccccc1)[C@@H]1NC(=O)c2c(sc3c2CC[C@@H](C)C3)N1 4543377 IIGCSMMYJZAWAD-WJRRDMDDSA-N 338.476 4.458 0 40 EIAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 4602004 FODKJRWMOYCYGI-UHFFFAOYSA-N 327.380 4.308 0 40 EIAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 4816496 CDSJKPYQZWHOFL-RBUKOAKNSA-N 346.434 4.064 0 40 EIAB CCN(c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1)C(C)C 5200405 AGZNVMIOTDGDJW-UHFFFAOYSA-N 325.456 4.240 0 40 EIAB Cc1ccccc1Cn1cccc(C(=O)Nc2cccc(C)c2C)c1=O 5269194 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4.243 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(NC(=O)c2ccco2)cc1 12789842 BJJMMNBPQJVQIR-AWEZNQCLSA-N 346.386 4.123 0 40 EIAB Oc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 18128769 ZTLMXFXXPNJARJ-UHFFFAOYSA-N 329.359 4.452 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl 20528871 HAGCZYRDUSOEKO-UHFFFAOYSA-N 347.798 4.166 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSc1ccc(C)cc1 22531570 AOPBWFSFMRSZDF-LJQANCHMSA-N 343.492 4.369 0 40 EIAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1OC 22533623 JYITZFRWINLCJH-ASJRZHAZSA-N 345.826 4.248 0 40 EIAB COc1ccc2nc(C)c(C(=O)N(C)CC3CCCCC3)cc2c1 30791892 UAPLNITVRVUING-UHFFFAOYSA-N 326.440 4.204 0 40 EIAB COc1ccc2cc(CNC(=O)c3c(F)cccc3F)ccc2c1 32882957 URBPDZNTEPXXCN-UHFFFAOYSA-N 327.330 4.057 0 40 EIAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@@H]1c1ccsc1)C2 40107779 AWCUMYVCIDUQKQ-WBVHZDCISA-N 329.490 4.437 0 40 EIAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCO[C@H]2CCCC[C@@H]21 40145739 IPVYZLOYBFPAAZ-APEVOYOESA-N 339.435 4.178 0 40 EIAB CCOc1ccc(CCC(=O)N2CCc3ccccc32)cc1OCC 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Cc1nc(Nc2ccc(NC(=O)CC(C)C)cc2)cc(OC(C)C)n1 12225638 COLPXNBOEHJBLF-UHFFFAOYSA-N 342.443 4.300 0 40 EIAB C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 12539776 SONKNKOYRGOMGH-SSDOTTSWSA-N 340.235 4.422 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 12695718 KPWPBEVCOYUSSI-GFCCVEGCSA-N 343.370 4.053 0 40 EIAB O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCCCC1 13725361 OLOVBCZNBSDHOC-UHFFFAOYSA-N 333.387 4.086 0 40 EIAB Cc1cc(=O)oc2cc(OCCOc3cccc(Cl)c3)ccc12 15180141 YHUNYAZKLLBJNF-UHFFFAOYSA-N 330.767 4.213 0 40 EIAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccccc1)c1ccccc1 15649374 IOTPEYPLMNTJTB-NRFANRHFSA-N 345.398 4.060 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1C 15669578 PZCUXQICDSAKQN-UHFFFAOYSA-N 341.436 4.376 0 40 EIAB C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 16780526 HCVTZZOECXSSPG-NQSCKRDGSA-N 339.479 4.262 0 40 EIAB Cc1ccc(Nc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1F 16941255 OAGFGFUOQCRMKF-UHFFFAOYSA-N 341.367 4.436 0 40 EIAB Cc1nn(-c2ccccc2)c2nc(Cl)c(CNC3CCCC3)cc12 19565336 GLTBBVSUMOXBJC-UHFFFAOYSA-N 340.858 4.415 0 40 EIAB Cc1ccc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1 21327774 RQMWDUKHELBHBT-UHFFFAOYSA-N 325.433 4.163 0 40 EIAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(Cl)cc1 22913899 WNZBNPOVSDWYLO-FQEVSTJZSA-N 343.902 4.222 0 40 EIAB Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 24560260 UABUENQTEIXGAL-HXUWFJFHSA-N 345.446 4.047 0 40 EIAB Cc1ccc(-c2nsc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 27583454 VENVCIPCGZDGNX-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)n1 27970437 FKJGQRCDGBWTPO-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc2cccnc12 27975447 UVPOWDFTMQVPOD-CQSZACIVSA-N 332.403 4.130 0 40 EIAB Cc1ccc(C(=O)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 30477348 SNDPBOGCQYXVSR-LBPRGKRZSA-N 335.325 4.074 0 40 EIAB CN(CCCNC(=O)CCc1cc2ccccc2o1)c1ccccc1 32216561 HIVSSZBVENAXPX-UHFFFAOYSA-N 336.435 4.008 0 40 EIAB Cc1ccccc1C(=O)NCc1cccnc1Oc1cccc(F)c1 32924729 GULBRSBEKQYLLJ-UHFFFAOYSA-N 336.366 4.251 0 40 EIAB Cc1ccccc1CC(=O)NCc1ccnc(Oc2ccccc2)c1 32930556 AOADIUGIJQAQNO-UHFFFAOYSA-N 332.403 4.041 0 40 EIAB O=C(O)c1ccccc1-n1ncc2c1/C(=C/c1ccccc1)CCC2 33693504 MUPDBAZZABXTPL-DTQAZKPQSA-N 330.387 4.447 0 40 EIAB O=C(Nc1nccs1)c1cc2occc2n1Cc1ccc(F)cc1 36365634 NWJWYNCVPQLZHS-UHFFFAOYSA-N 341.367 4.131 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1OC 38754432 OEUOJWQTDYEKOR-AWEZNQCLSA-N 345.464 4.440 0 40 EIAB Cc1ccccc1[C@H]1CCCN1Cc1csc(-c2ncccn2)n1 40153681 ZRAPWCIKICLUMA-QGZVFWFLSA-N 336.464 4.246 0 40 EIAB Oc1nc(CN2CCC[C@H]2c2ccsc2)nc2ccc(Cl)cc12 48356081 MFMZEIMALKSZFZ-HNNXBMFYSA-N 345.855 4.387 0 40 EIAB Cc1nnc(S[C@@H](C)c2nc3ccccc3n2C(F)F)s1 54679845 WOHAXCOAWMLDOL-ZETCQYMHSA-N 326.397 4.445 0 40 EIAB CCN(C)c1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 58160109 RRUWLZVQBKLPPI-UHFFFAOYSA-N 347.256 4.466 0 40 EIAB COc1ccc(Nc2ccccc2C(=O)NC2CCSCC2)cc1 58421113 CPPMLDCCTDGXAN-UHFFFAOYSA-N 342.464 4.064 0 40 EIAB COc1ccc(Br)cc1CNc1nc2ccccc2o1 64550515 NSEPYUVBPFOUOV-UHFFFAOYSA-N 333.185 4.211 0 40 EIAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 65491116 IGLCUIUJSQUBEK-ZFWWWQNUSA-N 339.391 4.109 0 40 EIAB Cc1noc(C)c1CN(C)[C@@H](c1cccc(F)c1)c1ccccn1 69442822 CEFXVMVLOWAWGS-IBGZPJMESA-N 325.387 4.047 0 40 EIAB Cn1ccnc1-c1cccc(NC(=O)c2sccc2OC(F)F)c1 69582016 SPOHKWXOKNTDCM-UHFFFAOYSA-N 349.362 4.002 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 72215252 JNIDWZWTACDBFO-GOEBONIOSA-N 333.476 4.436 0 40 EIAB O=C(Nc1ccc(F)cc1Cl)N(C[C@@H](O)c1ccccc1)C1CC1 75094177 IHYFPIFKLUIKDK-QGZVFWFLSA-N 348.805 4.209 0 40 EIAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1=CCCC1 89958963 GXQOYCIDXYRMJE-UHFFFAOYSA-N 345.830 4.239 0 40 EIAB COc1ccc2[nH]cc([C@H](CN)c3ccc(C(F)(F)F)cc3)c2c1 91690193 HWKKDRSGABSBEN-OAHLLOKOSA-N 334.341 4.286 0 40 EIAB C[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 95431339 GZPZLIGQTUSICN-HOTGVXAUSA-N 340.423 4.104 0 40 EIAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 96402362 TUZPIPCWFHOHPZ-MSOLQXFVSA-N 345.446 4.073 0 40 EIAB CN(Cc1cscn1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 96403488 QPINXPBQCSMLDZ-UHFFFAOYSA-N 342.386 4.098 0 40 EIAB Clc1ccc2ncn3nc(C4C5CC6CC(C5)CC4C6)nc3c2c1 97105528 USWZDMWRPMAKBZ-UHFFFAOYSA-N 338.842 4.471 0 40 EIAB Clc1ccc([C@@H]2C=C(c3ccccc3)Nc3nnnn32)c(Cl)c1 100679697 SHRVCZLWKCUSJU-HNNXBMFYSA-N 344.205 4.036 0 40 EIAB Cc1sc2nc(-c3ccoc3)[nH]c(=O)c2c1-c1ccc(F)cc1 105507158 WONVRQQSIIYOGG-UHFFFAOYSA-N 326.352 4.359 0 40 EIAB CN(C(=O)Nc1ccc2nccnc2c1)c1ccc2ccccc2c1 107743739 YLMAYYXEFQABOS-UHFFFAOYSA-N 328.375 4.451 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCSC(C)(C)C)ccc1Cl 113969487 BWQJKYNXZMBZFH-LBPRGKRZSA-N 329.893 4.064 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCS[C@@H](c2ccco2)CC1 219402855 AATBZXCGINOWNK-LLVKDONJSA-N 327.858 4.315 0 40 EIAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1C 223169525 MEZWJBKWBIIFKX-FQEVSTJZSA-N 337.463 4.311 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)CCSc1ccccc1 223747244 ZYVIGEPHOLTLQG-UHFFFAOYSA-N 343.492 4.487 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(Br)cc2F)c(C)c1 225285474 GIHBBMARGPVNFP-UHFFFAOYSA-N 336.204 4.386 0 40 EIAB CCS[C@H]1CCCC[C@H]1NCc1nnc(-c2cc(C)oc2C)o1 225549385 BAXFOZYYYZSFLH-CABCVRRESA-N 335.473 4.100 0 40 EIAB Cc1ccc(NC(=S)NCCCSCc2ccccc2F)nc1 225613645 TZDFJEVSRXWDQE-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB O=C(NCc1cncc(-c2cccs2)c1)c1c[nH]c2ccccc12 225666274 YTDYLDASWRWOPN-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccccc1F 225702928 WHTWSBSGPXHDEE-INIZCTEOSA-N 330.428 4.198 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1conc1-c1ccccc1 225871183 WQQNJBIDUOJDLI-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccccc1OC 225885484 NJEFLWHPVKYTCA-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB C[C@@H]1C[C@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCc1ccoc1 253388208 XWKYXEIGWQYOCY-VMCMCTHWSA-N 332.440 4.047 0 40 EIAB biogenic,in-vitro Cc1ncc(-c2cccc([C@H]3CCCN(C4CCCCC4)C3)n2)n1C 257311647 UKLMQPNTXIPJBL-KRWDZBQOSA-N 338.499 4.303 0 40 EIAB O=C(Nc1ccc(-c2nnco2)cc1)c1cnc(-c2ccccc2)s1 390835776 YFNYXFZXRGGRNR-UHFFFAOYSA-N 348.387 4.112 0 40 EIAB CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]21 1547139802 HGELFJCNFGEPSQ-JZXOWHBKSA-N 329.440 4.149 0 40 EIAB O=Cc1nc(Br)c(-c2ccc(-c3ccccc3)cc2)[nH]1 1857794622 DFBRHMJHZOUSHS-UHFFFAOYSA-N 327.181 4.319 0 40 EIAB CSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccc(C)cc1-2 35721 COPUKMWLSLPLQC-CQSZACIVSA-N 342.449 4.134 0 40 EIAB CCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCCC2 203343 WKCRHOYKYVYWMU-UHFFFAOYSA-N 338.480 4.281 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 577363 BSIGWBFMVXIENH-UHFFFAOYSA-N 329.827 4.082 0 40 EIAB CCc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)cc2)cc1 579005 RYTIZUXOONUMTJ-UHFFFAOYSA-N 345.826 4.365 0 40 EIAB S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1369686 DFOWZBIOZHJFNW-HUUCEWRRSA-N 349.931 4.174 0 40 EIAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1370445 RCNLQZJPDPOWGA-NHCUHLMSSA-N 348.490 4.311 0 40 EIAB CC(=O)Oc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1 1463142 QKLCPVMJJKGHKS-UHFFFAOYSA-N 341.750 4.033 0 40 EIAB Cc1ccc(Br)c(C(O)(C(F)(F)F)C(F)(F)F)c1 1559257 XTRBSPVVAAOFNE-UHFFFAOYSA-N 337.057 4.070 0 40 EIAB COc1ccc([C@H](CCN(Cc2ccco2)C(C)=O)C(C)C)cc1 2145365 PNOJTWNKYMZRDD-HXUWFJFHSA-N 329.440 4.467 0 40 EIAB biogenic COc1ccccc1Nc1nc(-c2ccc3c(c2)OCO3)cs1 3350735 PXEDVAOJKITUGS-UHFFFAOYSA-N 326.377 4.291 0 40 EIAB COc1ccc(C)cc1NC(=O)COc1cc(Cl)ccc1Cl 3469423 VJBOBNSQNDIFBR-UHFFFAOYSA-N 340.206 4.328 0 40 EIAB COc1ccccc1Oc1nc(-c2cccnc2)nc2ccccc12 3477149 LFIIEPPXDVRMBB-UHFFFAOYSA-N 329.359 4.493 0 40 EIAB Cc1ccc([C@@]2(CC(=O)NCC(C)C)CCO[C@H](C(C)C)C2)cc1 4087935 QIAVYIRNOGKASV-FPOVZHCZSA-N 331.500 4.230 0 40 EIAB biogenic Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)cc1C 4329833 GTTQEGURSSBJNM-HXUWFJFHSA-N 346.434 4.137 0 40 EIAB CC(C)N(C(=O)CSCc1nc2ccccc2[nH]1)c1ccccc1 4426963 HULNNEMXQWHPDU-UHFFFAOYSA-N 339.464 4.238 0 40 EIAB CC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 4540053 GVRXXJCQPAWUMD-UHFFFAOYSA-N 334.750 4.365 0 40 EIAB CC(C)(Nc1ccccc1)c1nnnn1-c1cccc(C(F)(F)F)c1 4549512 HHEGRWRNAVVGRV-UHFFFAOYSA-N 347.344 4.028 0 40 EIAB CCCCCCOC(=O)Nc1ccccc1I 4714230 SJWPKEQOQNGRIT-UHFFFAOYSA-N 347.196 4.420 0 40 EIAB Cc1cs/c(=N\c2ccccc2)n1CC(=O)c1ccc(F)cc1 4746313 QTFHPXBOMWAHMU-ZZEZOPTASA-N 326.396 4.112 0 40 EIAB O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F 4898518 ISXMGDFMDFIRRK-UHFFFAOYSA-N 349.361 4.121 0 40 EIAB Cc1ccc(CNC(=O)c2sc(-c3cccs3)nc2C)cc1 5405305 FAMGBGOFPMMEEN-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB c1cncc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)c1 5575849 RAPXSDWLIGKFFK-APWZRJJASA-N 333.416 4.385 0 40 EIAB Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c(C)c3)c2n1 5740531 VXGWPAXKRMQSFZ-UHFFFAOYSA-N 347.823 4.273 0 40 EIAB CC(=O)c1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 5825591 ZJIBFPJTRDEEOX-UHFFFAOYSA-N 333.387 4.305 0 40 EIAB COc1cc2c(cc1N[C@@H](C)C(=O)N1CCCC1)oc1ccccc12 5939036 DYVAWLHOKYLMAL-ZDUSSCGKSA-N 338.407 4.017 0 40 EIAB c1csc(-c2nc(CSc3nnc4n3CCCCC4)cs2)c1 7735585 VKUQBCKYQXOJAI-UHFFFAOYSA-N 348.522 4.482 0 40 EIAB CCc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccccc1 8080621 FYLRJLIYZLAIHQ-ZCXUNETKSA-N 328.462 4.119 0 40 EIAB Cc1cc(SCC(=O)NC2CCCC2)c(C)cc1Br 8081931 XGWIUOSGUMRDLG-UHFFFAOYSA-N 342.302 4.217 0 40 EIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)o1 8705905 ITZSBYPFUGAOCU-VAWYXSNFSA-N 341.407 4.081 0 40 EIAB COc1ccc2cc(CN[C@@H](C)c3ccc4c(c3)OCCO4)ccc2c1 8728631 XYVFZDGEXMQRIO-HNNXBMFYSA-N 349.430 4.470 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 8752838 CHGMHJXHCWOEEE-GOEBONIOSA-N 344.480 4.229 0 40 EIAB Cc1ccc(C)c(CS[C@@H](C)C(=O)NCCc2ccccc2)c1 9516622 NXXKLDULRWEGGE-KRWDZBQOSA-N 327.493 4.284 0 40 EIAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccco1 9609575 SHIXCGRTFZUBTD-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB Cc1cc(NC(=O)c2cc3ccccc3c(=O)s2)ccc1Cl 12274385 RVLIVSUCSVPZRY-UHFFFAOYSA-N 329.808 4.476 0 40 EIAB CCc1nc2ccccc2c(C(=O)OCc2nccn2C(F)F)c1C 12531077 MUFMSGOCJZXVJZ-UHFFFAOYSA-N 345.349 4.054 0 40 EIAB COc1ccc(C)cc1NC(=O)CSCc1cccc(F)c1F 12567970 IIJCRTPHNYLPLW-UHFFFAOYSA-N 337.391 4.154 0 40 EIAB COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O 13130936 PKAIECBWQZFYRP-SZUIKGGKSA-N 330.424 4.172 0 40 EIAB biogenic,in-vitro O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CC=CC[C@H]1C(=O)O 13253630 IOKMYVLRPTUSGT-JGVFFNPUSA-N 348.613 4.252 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc2ccccc12 14075050 XFFJDUAKLRSEPH-UHFFFAOYSA-N 334.375 4.059 0 40 EIAB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c1C 15226963 TYEJEQWBCREWLW-YVLHZVERSA-N 340.448 4.377 0 40 EIAB COc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c2ccccc12 16265903 GBNCWMSSSKHDFH-UHFFFAOYSA-N 336.416 4.430 0 40 EIAB CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1 17918366 QNCSTWSLNCZEIP-UHFFFAOYSA-N 346.814 4.181 0 40 EIAB Cc1cccc(-c2nc3n(n2)N=C(c2ccc(Cl)cc2)CS3)c1 19910201 YNEFNQOFAVMJGK-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1 20036255 PNPJLGCBFIUQBB-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB CCc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)sc1C 24389911 GSPOVXXUWROOEV-UHFFFAOYSA-N 342.508 4.145 0 40 EIAB COc1ccc(OC)c(CN(C(=O)c2cc(C)ccc2C)C2CC2)c1 25804214 RDBWFFFGYNGUCD-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB CC[C@@H](NC(=O)Cc1ccccc1OC)c1ccccc1OC(F)F 27353080 UPSGSRWGLXBUBM-OAHLLOKOSA-N 349.377 4.107 0 40 EIAB O=C(Nc1cc(-c2ccc(Br)cc2)no1)c1ccccc1 27743953 XOZBIJCHFDWJBM-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB Cc1c(C)n(C[C@H](O)CN[C@H]2CCCC[C@H]2C)c2c(Cl)cccc12 28296753 ZBMWXQGMDJSFMW-NRXGSXMXSA-N 348.918 4.441 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)n[nH]2)cc1 40150966 RIJKTQGYIBREJI-UHFFFAOYSA-N 346.434 4.147 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)o1 43720382 LWCCSFZLLTWRBO-HUUCEWRRSA-N 348.468 4.101 0 40 EIAB CN(C(=O)c1occc1COc1ccccc1)c1ccc(F)c(F)c1 56226832 MQPBAHYFDNDHBK-UHFFFAOYSA-N 343.329 4.413 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4cc(C)ccc4o3)nc12 57352678 ORKZNACMWVKJAD-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB CC(C)c1nc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cs1 58208493 PMEBQESKXFGQDD-CYBMUJFWSA-N 343.496 4.466 0 40 EIAB Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1OCC(F)F 71862744 JYZXUNDCCLIWJB-ZDUSSCGKSA-N 349.381 4.259 0 40 EIAB c1csc(-c2noc(CCCOc3ccc4ncccc4c3)n2)c1 79075758 MGFUNYPKKWGBRF-UHFFFAOYSA-N 337.404 4.358 0 40 EIAB O=C(Cc1cccs1)N1CCC(CSCc2ccco2)CC1 85472439 JGFXJUHJMHVQCK-UHFFFAOYSA-N 335.494 4.056 0 40 EIAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCCC(F)(F)F 95457509 ZNRKRECFLFSYQF-UHFFFAOYSA-N 343.267 4.276 0 40 EIAB COc1cccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1 96680055 LFCQOXJBGNMEIS-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB CCn1nc(C)c(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c1C 97100094 WJJUUKOXQMUJKJ-LRDDRELGSA-N 344.459 4.426 0 40 EIAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(F)cc1 102707341 HDQXJYPBEJVKLX-RNIPGJKVSA-N 337.394 4.008 0 40 EIAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCCC[C@@H]12 104271580 LUUHUQFDYJFSSB-OSTYVCCYSA-N 346.081 4.454 0 40 EIAB O=Cc1cn(C(=O)Cc2ccc(Br)cc2)c2ccccc12 216953137 FSNXGTHCTDIJHF-UHFFFAOYSA-N 342.192 4.099 0 40 EIAB Cc1ccccc1CSCCNC(=O)COc1ccccc1Cl 218846478 CPOINFNMJMPZPX-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(OC)c(Cl)c1 223177551 VHEYEBRLYGSDKZ-KRWDZBQOSA-N 345.826 4.165 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccccc2OC(C)C)cc1Cl 224171525 PZUYGUHTAYVAPJ-UHFFFAOYSA-N 347.842 4.244 0 40 EIAB CC1CCN(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)CC1 224330657 OSIBAMWNCJDQLE-UHFFFAOYSA-N 326.484 4.149 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(OC)c(C)c1 225055773 FTFJHNORUKGFCZ-QAPCUYQASA-N 327.424 4.038 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCS/C2=C/c2cccs2)cc1 225233219 AHPUDDFGGLMWOQ-OMCPYIIGSA-N 343.473 4.344 0 40 EIAB Cc1ccnc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225680334 ZZCABOZUPXYIQQ-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB S=C(Nc1cccc(Cl)c1)NC1(c2cccnc2)CCCC1 225844646 DYDGMIRRCKDIBO-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(CCc2ccccn2)cc1 408718686 WBRTYXYNUNUMMY-UHFFFAOYSA-N 332.403 4.128 0 40 EIAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409123140 FIDCIUITWWKSMB-LFIBNONCSA-N 331.437 4.312 0 40 EIAB O=C(Nc1ccc(O)cc1)c1ccc(COc2ccc(Cl)cc2)o1 409207398 UFWOGYURENDIAC-UHFFFAOYSA-N 343.766 4.470 0 40 EIAB Fc1cccc(N2CCCC2)c1CNCc1cc2c(F)cccc2[nH]1 512567768 DDMVDWBNOKPCAK-UHFFFAOYSA-N 341.405 4.336 0 40 EIAB CCOc1ccc2cc(-c3[nH]c(C=O)nc3Br)ccc2c1 1857794945 YJFGSSWNMGQKAU-UHFFFAOYSA-N 345.196 4.204 0 40 EIAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2c(F)cccc2Cl)c1 1889124986 CJBRCQFTTPAXMI-YIONKMFJSA-N 333.838 4.352 0 40 EIAB CCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 119084 BUEZSTLUXDHGFB-UHFFFAOYSA-N 340.492 4.410 0 40 EIAB biogenic Cc1nn(C(=O)c2ccc(C(F)(F)F)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 535111 KJZDFPMVHRXVGM-IUODEOHRSA-N 334.341 4.195 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1F)CO3 2336952 JRWAOKLROUPYPM-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2n1 3299419 YJHVUWMPEWYYIX-UHFFFAOYSA-N 331.419 4.477 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCCCSc1ccccc1 3336910 YEIKWAYDTFWVOX-UHFFFAOYSA-N 335.856 4.017 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 3346140 IUTIKYMHCCOMCC-CQSZACIVSA-N 329.415 4.379 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 3359504 OLBXMCGCMNKUHY-UHFFFAOYSA-N 342.826 4.359 0 40 EIAB COCCNC(=S)Nc1ccc(N(c2ccccc2)C(C)C)cc1 3362596 YPULMSIJAMZHBI-UHFFFAOYSA-N 343.496 4.166 0 40 EIAB COc1ccc2c(CC(=O)N[C@@H]3CCCc4ccccc43)coc2c1 3375430 QNWOSEAPLYDWOJ-LJQANCHMSA-N 335.403 4.178 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1 3562142 ZCCNCDNHHAOVRS-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB COc1ccc(-n2nnnc2SCc2cccc3ccccc23)cc1 3571254 LTWUEKZYULJHOC-UHFFFAOYSA-N 348.431 4.116 0 40 EIAB Cc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2C)CC1=O 4033324 VZRHQGKTYWRQPQ-CYBMUJFWSA-N 339.826 4.056 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 5865002 IUHVDYIRIYKAHD-LBPRGKRZSA-N 334.213 4.164 0 40 EIAB COc1cc(OC)c(NC(=O)c2cccc(Cl)c2)cc1Cl 6259281 YGOLUAKTVTZYIM-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)c(F)c1 6426633 ZHDHGKWUKIXDMB-UHFFFAOYSA-N 329.371 4.053 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1 6735096 PTXBEKLAMZTNLQ-UHFFFAOYSA-N 339.178 4.424 0 40 EIAB O=C(NCCSCc1ccccc1F)c1ccc(Cl)cc1F 7116413 FOFWOKAARUROAM-UHFFFAOYSA-N 341.810 4.281 0 40 EIAB C[C@H](C(=O)NC1CCCCC1)N(C)Cc1cccc(Cl)c1Cl 7266093 MBSNTDPBBCEVGM-GFCCVEGCSA-N 343.298 4.263 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1 7510336 CBHZDQLVBMCLJN-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc2ccccc2[nH]1 8136122 ISBVANYPLBBDGK-UHFFFAOYSA-N 331.375 4.394 0 40 EIAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1 9141368 BAKJZXYCYPMJIM-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2OC(F)F)o1 10115090 FCSVQMZXZJTPCU-SYFYSMEQSA-N 347.361 4.334 0 40 EIAB Cc1ccc([C@@H]2Cc3cc(C(=O)NC4CCCC4)ccc3C(=O)O2)cc1 11692921 LKRSIKAUJUGHLT-FQEVSTJZSA-N 349.430 4.122 0 40 EIAB CCOCCCNc1ncc(-c2ccsc2)c(-c2cccnc2)n1 12144363 IMGZJBXEQZOBEX-UHFFFAOYSA-N 340.452 4.106 0 40 EIAB Cc1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n1 12527294 OZLOALRJUMDZJL-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB CC(C)c1csc(NC(=O)c2cccc(Nc3ncccn3)c2)n1 12540764 MOIAQARIRWMHSH-UHFFFAOYSA-N 339.424 4.052 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccc(CN2CCCCC2)cc1 12762008 OWWLYKLWEOVFPH-UHFFFAOYSA-N 345.446 4.473 0 40 EIAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 12773354 PTBYQWLNBXUIQE-SJKOYZFVSA-N 348.368 4.310 0 40 EIAB CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 12783944 FCKSPBMIEYJTHA-AUUYWEPGSA-N 327.424 4.472 0 40 EIAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 13016358 WYJMVHOZIKBCHA-LBPRGKRZSA-N 349.887 4.281 0 40 EIAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccsc2)cc1 13655430 UITQVAQHNBKARZ-HNNXBMFYSA-N 339.420 4.374 0 40 EIAB CCCNC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 16848933 GGPDGVJGPNMPSG-UHFFFAOYSA-N 347.871 4.175 0 40 EIAB CCC(=O)N1CCC(c2cc(-c3ccc(OC)cc3)cc(C)n2)CC1 19691099 QACXRSCDMSWKCV-UHFFFAOYSA-N 338.451 4.182 0 40 EIAB CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2)[C@H]1c1ccccc1 19850394 AYXUZUABTMGOKA-RTBURBONSA-N 338.451 4.309 0 40 EIAB CN(C1CCCCC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 20110905 KBIOHLHPVRDULL-UHFFFAOYSA-N 336.284 4.088 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc(C)c1Cl 20481139 DDSWADYIURDSRG-ZDUSSCGKSA-N 335.806 4.352 0 40 EIAB Clc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2)c1Cl 22130764 LRTAEWIIYOUKFW-MRXNPFEDSA-N 335.278 4.358 0 40 EIAB CN(Cc1ccc(Cl)s1)C(=O)NCC1(c2ccccc2)CC1 22427245 XDLMYGIZBJEJCY-UHFFFAOYSA-N 334.872 4.275 0 40 EIAB CCC(C)(C)NCc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 27358486 XQRRCTAFDXLHTM-UHFFFAOYSA-N 326.440 4.226 0 40 EIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1 27822910 MAYMKGLHQMPHFN-UHFFFAOYSA-N 345.892 4.002 0 40 EIAB Cn1ccc(NC(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)n1 32778122 PPFMBYYHZZAPGO-GHRIWEEISA-N 337.810 4.253 0 40 EIAB CCn1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc21 32904482 AJJVWKWPCDCJCT-UHFFFAOYSA-N 343.430 4.341 0 40 EIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cc1C 40095398 FBBDHBXSNBHJAK-UHFFFAOYSA-N 326.396 4.086 0 40 EIAB CCOc1cccc(CNC(=O)CSCc2cc(C)cc(C)c2)c1 44842037 CYUDOMVSYQDAPG-UHFFFAOYSA-N 343.492 4.252 0 40 EIAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1ccncc1 47074805 HMKNOEAHTULQFA-MRXNPFEDSA-N 335.432 4.182 0 40 EIAB c1ccc2cc(CNCc3ccc(Cn4cccn4)cc3)ccc2c1 48362807 IEWJNRVUMBTXNS-UHFFFAOYSA-N 327.431 4.374 0 40 EIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2cccnc2)C1 49544616 UUCIXQPITXWZBI-HNNXBMFYSA-N 338.798 4.103 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)OCc1nc2ccccc2s1 58391622 KCFSUXOPTAITOM-UHFFFAOYSA-N 348.427 4.373 0 40 EIAB COc1c(C)cnc(CN(C)C(=S)Nc2c(C)cccc2C)c1C 58466637 KWYWYDOMWFRDEW-UHFFFAOYSA-N 343.496 4.153 0 40 EIAB O=C(/C=C/c1ccccn1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 69704952 NYEWQQRXBXWDSS-CJTWTEFWSA-N 347.418 4.028 0 40 EIAB Cc1csc(-c2cccc(NC(=O)NCc3c(C)noc3C)c2)n1 71855060 GREYFFGNPVZQPX-UHFFFAOYSA-N 342.424 4.045 0 40 EIAB CC(C)CN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214502 KIFPJZNLVYAMDU-INIZCTEOSA-N 333.476 4.246 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@H](C)CCC[C@H]3C)sc2n1 72295437 DDGCWOKATKYXEN-GHMZBOCLSA-N 331.485 4.267 0 40 EIAB CCC(C)(C)[C@H]1CCCN1CC(=O)N1CCC[C@@H]1c1cccs1 89941986 PFMBKFVQLFWOEE-NVXWUHKLSA-N 334.529 4.312 0 40 EIAB CCC(=O)N1CC[C@@H](NCc2csc3ccccc23)[C@H](CC)C1 89949173 OPTASWMFBKSHDM-RHSMWYFYSA-N 330.497 4.028 0 40 EIAB CCc1cnc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 95409995 IWMJYFIZEHOASA-VXGBXAGGSA-N 333.457 4.295 0 40 EIAB COc1cc(OC)cc(C(=O)c2ccc(C)c(Br)c2)c1 95916735 NSRQFOVLNDIIJO-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB COc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193810 OGQYLRBTGPAESY-UHFFFAOYSA-N 348.387 4.275 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C1CCCCC1 96223055 MOTTVBIVOLUJAZ-SFHVURJKSA-N 326.440 4.250 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1cn2cccnc2n1 97111933 XPGZMUJWHGRYDH-CYBMUJFWSA-N 349.463 4.012 0 40 EIAB CCc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 101016629 WDZCZXXOSVQBLZ-OAHLLOKOSA-N 330.225 4.290 0 40 EIAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccccc3F)C2=C(O)C1 102740906 JFSATGIQNCVJJM-AWEZNQCLSA-N 328.347 4.080 0 40 EIAB Cc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)nn1Cc1ccc(F)cc1 103029869 HHTMCDYGMLPOFK-YESZJQIVSA-N 341.430 4.144 0 40 EIAB NC(=O)c1cccc(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 105493913 DCBONZGZJZDUHA-IBGZPJMESA-N 342.870 4.460 0 40 EIAB O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccsc2)CC1 118678208 DGYQDKHPHJKSMX-UHFFFAOYSA-N 348.512 4.332 0 40 EIAB C[C@@H](NC(=O)Cn1ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 199406189 QLRGNGYHBLXBQX-NOCBQHASSA-N 336.479 4.362 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 224422014 HYGCEBDFEMBYJS-IAGOWNOFSA-N 325.452 4.497 0 40 EIAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 225475668 VEQBWLFMMOMRLT-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)c2ncccc12)C1CC1 225913529 YPRNFJPTWGGIIU-FQEVSTJZSA-N 342.439 4.167 0 40 EIAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OC 409091943 WBDZYQVVJFMDKH-BOPFTXTBSA-N 327.405 4.179 0 40 EIAB FC(F)(F)c1cccc([C@@]2(F)CCN(C[C@H]3CCSC3)C2)c1 549824185 JXGIEHLCZJXPFA-IUODEOHRSA-N 333.394 4.329 0 40 EIAB CC1(C)C[C@@H]2CN(C(=O)C3CCCC3)CC[C@@H]2N1c1cccc(F)c1 1615160057 XFQAGXSUPBBCCS-APWZRJJASA-N 344.474 4.222 0 40 EIAB CC(C)(C)c1cc([C@H](O)CCC2CCNCC2)c2ccccc2n1 684 OPNPUTUBENWDBA-LJQANCHMSA-N 326.484 4.346 0 40 EIAB in-man Cc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1 38257 JOMRIBVJEUONEL-UHFFFAOYSA-N 343.415 4.401 0 40 EIAB CCOC(=O)c1cnc2ccc(C)cc2c1N(C)Cc1ccccc1 71722 WFNQRRMZAAZMSC-UHFFFAOYSA-N 334.419 4.356 0 40 EIAB CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Cl)c1OC 386391 LKCVAHAXYHGWTO-UHFFFAOYSA-N 349.814 4.131 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1)c1ccccc1F 1370193 CVQZLJDIYUFKRF-ROUUACIJSA-N 344.474 4.274 0 40 EIAB Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)Nc1ccccc1 1401140 UEARHLJVRQWFNG-UHFFFAOYSA-N 341.798 4.427 0 40 EIAB COc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1 2236952 VDXGUNDDTJBZSU-UHFFFAOYSA-N 342.358 4.213 0 40 EIAB O=C(O)c1cccc(COc2ccc(Br)cc2Cl)c1 2521428 UXDCDGQGXBIOAT-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB O=c1ccc2ccc(OCc3csc(-c4ccccc4)n3)cc2o1 3359003 FRBWITNMUXWPIP-UHFFFAOYSA-N 335.384 4.496 0 40 EIAB CCn1cc(SCC(=O)Nc2cccc(OC)c2)c2ccccc21 4060560 ZTLBYPIQTCVZJJ-UHFFFAOYSA-N 340.448 4.401 0 40 EIAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC1CCCC1 4826065 ZFUALVLXAUYWAK-SECBINFHSA-N 340.901 4.489 0 40 EIAB CCOc1ccc/c(=N\c2ccc3c(c2)OCO3)c2c(C)oc(C)c12 5953738 APMOJZJIKAOQGQ-RCCKNPSSSA-N 337.375 4.409 0 40 EIAB biogenic O=C(CSc1nccn1Cc1ccccc1)c1c[nH]c2ccccc12 6589410 SJPATTTTWDOSCQ-UHFFFAOYSA-N 347.443 4.388 0 40 EIAB Cc1ccc(NC(=O)COc2ccccc2C2SCCS2)cc1 6939495 BDIVUSSRRRLGCD-UHFFFAOYSA-N 345.489 4.491 0 40 EIAB CC(C)(C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 6940501 QBLMKUVZNDNLDC-UHFFFAOYSA-N 335.403 4.410 0 40 EIAB O[C@H](CNC1CCCCCC1)COc1cc(Cl)ccc1Cl 7004285 RBIXUIIURUDCTA-CQSZACIVSA-N 332.271 4.046 0 40 EIAB Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1NC(=O)c1ccco1 9447738 TTZWWWKKHBTNBY-UHFFFAOYSA-N 348.402 4.113 0 40 EIAB O=C(Cc1ccc2ccccc2c1)Nc1nnc(Cc2cccs2)o1 11694683 PTFXXUMLRNPULH-UHFFFAOYSA-N 349.415 4.056 0 40 EIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(C)c1 12562724 MNKNYVIYSABVKA-UZLBHIALSA-N 336.435 4.049 0 40 EIAB C[C@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12736488 WNNAXJRUAKSABZ-HTAPYJJXSA-N 348.490 4.222 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 12737646 FSJVIFCVCVJYRC-UHFFFAOYSA-N 336.391 4.201 0 40 EIAB O=C(c1cccnc1Oc1ccccc1)N1CCc2sccc2C1 12792503 BSROIJPZMVCURA-UHFFFAOYSA-N 336.416 4.134 0 40 EIAB CSc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1 13038328 PKXMRSYOIZKDLQ-UHFFFAOYSA-N 334.872 4.132 0 40 EIAB CN(C(=O)COc1ccc(Cl)c2cccnc12)C1CCCCC1 13062871 SNRJVSQOOIQBPH-UHFFFAOYSA-N 332.831 4.058 0 40 EIAB Cc1ccsc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 14019905 DRBRFXOOXQYYNC-UHFFFAOYSA-N 344.417 4.161 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3c2C1 14135256 VCCBCSUFSUQJMO-LBPRGKRZSA-N 327.424 4.065 0 40 EIAB C[n+]1c2ccccc2n2c(-c3ccc(Br)cc3)csc21 17138944 ACCWCQAWJLEDBB-UHFFFAOYSA-N 344.257 4.408 0 40 EIAB O=C(NCCc1cccs1)c1ccc(OCc2ccccc2)cc1 17703125 AMHREFQMKOGCIN-UHFFFAOYSA-N 337.444 4.300 0 40 EIAB Cc1ccc(O[C@H](C)CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 19738231 DYUMWBRPHPTDHV-UTKZUKDTSA-N 341.451 4.432 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)c(C)c1 19932013 ZIXPRLRONVAHFB-AWEZNQCLSA-N 337.872 4.137 0 40 EIAB C[C@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3Cl)c2C1 20572106 OIVATCPHLMNNLF-QMMMGPOBSA-N 325.195 4.359 0 40 EIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(Cl)s1 21372702 RVUNAAVNYDWRKD-UHFFFAOYSA-N 335.837 4.264 0 40 EIAB CC(C)[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 23771746 GLINAESLFFNOQC-FQEVSTJZSA-N 327.399 4.302 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 25053309 RPYYWXWLAJLESD-UHFFFAOYSA-N 345.402 4.205 0 40 EIAB CCOCc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC 26621674 WEDSUFPILHXKOV-CYBMUJFWSA-N 347.842 4.376 0 40 EIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccs2)cs1 26883089 KVBJZHIRRCMNOH-UHFFFAOYSA-N 340.473 4.312 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 28199693 AXUSPFMWYLPGAG-OKILXGFUSA-N 332.444 4.152 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 29617155 ZJJWNCVYJXOXFD-CYBMUJFWSA-N 340.814 4.408 0 40 EIAB CCCc1noc2nc(C3CC3)cc(C(=O)N(C)c3ccccc3)c12 40107395 QWBVFQMBQPYFCK-UHFFFAOYSA-N 335.407 4.329 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2ccccc2F)C1 40284995 GVGQUVKOYQMMQW-CQSZACIVSA-N 343.308 4.413 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccccc1OC 44847141 SNEBDRRRCMCECK-SFHVURJKSA-N 341.451 4.128 0 40 EIAB O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1c1nc2ccccc2s1 44911839 QSEOCKROMSNGHM-HOCLYGCPSA-N 344.480 4.309 0 40 EIAB COc1ccccc1[C@H](C)N(C)C(=O)CCn1ccc2ccccc21 45250080 DWAKKQKWLYUVCH-INIZCTEOSA-N 336.435 4.260 0 40 EIAB Cc1ccccc1CCNC(=O)c1ccccc1Oc1cccnc1 51977565 OICVWDXBNJGYFO-UHFFFAOYSA-N 332.403 4.155 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1F 56205749 FMUUHOPACSDRMU-NSHDSACASA-N 336.794 4.317 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C)noc1C 58024132 SHZVMNBZDCDTIH-UHFFFAOYSA-N 331.372 4.115 0 40 EIAB CC(C)[C@H](NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1 58048002 RQKPEPLLORMRBX-FQEVSTJZSA-N 346.434 4.031 0 40 EIAB O=C(c1csc(-c2ccccn2)n1)N1CCC[C@H]1Cc1ccccc1 58314199 XTRYKSZSIKGCSK-INIZCTEOSA-N 349.459 4.052 0 40 EIAB O=C(Nc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 61718980 AKUIMXQPPDNWSY-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB O=C(NC1CCCCC1)[C@H]1CCCN([C@H]2CCCc3ccccc32)C1 65965520 BQAPKQILMDHOEJ-RXVVDRJESA-N 340.511 4.225 0 40 EIAB C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 66592777 RTPSOLPMBCBKDF-GFCCVEGCSA-N 334.341 4.009 0 40 EIAB CCC[C@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(C)=O)CC1 69530997 UIKWDOJTKQIFRE-KRWDZBQOSA-N 345.487 4.099 0 40 EIAB Fc1ccc(C2(NCc3nc4ccccc4s3)CCOCC2)cc1 71886845 MTWOYYMSPGKIEC-UHFFFAOYSA-N 342.439 4.231 0 40 EIAB Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)cc1 71977725 DPJOXDQSGRMTMG-UHFFFAOYSA-N 340.224 4.464 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72215139 XZRSLGYVXSYSAS-GDBMZVCRSA-N 333.476 4.436 0 40 EIAB COc1cccc(OC)c1[C@@H]1CCCCN1C(=O)c1ccccc1 72221454 BNPAGDRADVVBRW-INIZCTEOSA-N 325.408 4.071 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)OCc2ccccc2)c1 72221872 POXPWGHQUCOBCG-SFHVURJKSA-N 341.407 4.178 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 72227811 AGYZTFYEWNPKAI-KBPBESRZSA-N 341.625 4.062 0 40 EIAB COc1cc(Nc2cc(C)nc3c(C(=O)O)cccc23)cc(OC)c1 72242844 RAAMRYGLMJDVTB-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB CC(=O)N1CCC[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 72353797 UDOKGDXQCIAENY-SFHVURJKSA-N 342.870 4.360 0 40 EIAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccccc4C)C3)n2)cc1 72369927 TWXZFTOKYFODHZ-SFHVURJKSA-N 349.434 4.043 0 40 EIAB CCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1OC 76275824 NSDCXZZWUSUZLI-UHFFFAOYSA-N 335.787 4.058 0 40 EIAB C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1csc2ccccc12 85313460 GIJUIGHJKVNOFQ-DMZKTXOQSA-N 329.490 4.490 0 40 EIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C(F)F)c1 95984763 ZHRNAWSGLIIWTR-CQSZACIVSA-N 334.370 4.333 0 40 EIAB Cc1nnc([C@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 95987517 UYVPWJHRQILOLQ-LKFCYVNXSA-N 325.334 4.199 0 40 EIAB Cc1ccc(NC(=O)N(Cc2cnc3ccccn23)C2CC2)cc1C 96097137 IKFFFCZSMJLELM-UHFFFAOYSA-N 334.423 4.148 0 40 EIAB C[S@@](=O)Cc1ccc(Cl)c(NCc2cccc3cccnc23)c1 96453611 PPODUNPHKFJEER-QHCPKHFHSA-N 344.867 4.379 0 40 EIAB C/C(=C\C(=O)NCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 98055468 HGVGMMDMZKYEDQ-SDNWHVSQSA-N 336.366 4.200 0 40 EIAB Cc1c(C)n(-c2ccccn2)c2ncn(C3CCCCCC3)c(=N)c12 101404477 ZQJHRZRIIKFILN-UHFFFAOYSA-N 335.455 4.214 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3conc3c2)C1 109017624 AXPSNDULDWMDOY-KBXCAEBGSA-N 329.469 4.425 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 222951853 RXNNVCSCJVMDDX-MSOLQXFVSA-N 342.512 4.237 0 40 EIAB Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1Cl 224144936 LXUGEDZUGOBMIM-UHFFFAOYSA-N 338.234 4.040 0 40 EIAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1 225940978 CYTMKQFAYVZWTI-UHFFFAOYSA-N 330.815 4.193 0 40 EIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(COc2ccccc2)o1 245228341 RSTUAYCZSBIHGT-RVKKMQEKSA-N 327.424 4.413 0 40 EIAB CCCCOc1ccc(C(=S)NCc2ccc(OC)cc2)cc1 408571639 CALORNFFHZHNHK-UHFFFAOYSA-N 329.465 4.339 0 40 EIAB CCn1cc(CNCCc2ccc(Oc3ccc(F)cc3)cc2)cn1 533563446 OCAVVLWJLHPMMK-UHFFFAOYSA-N 339.414 4.167 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)NCc1ccc(F)cc1 575619991 HHYQYVJJONHPHW-ZDUSSCGKSA-N 342.439 4.471 0 40 EIAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 386083 RUMIUPSQBSRERS-UHFFFAOYSA-N 330.796 4.365 0 40 EIAB CCNCCCCCCNc1cc(OC)c(Cl)c2cccnc12 1687512 MPDUUWVTZZZKTI-UHFFFAOYSA-N 335.879 4.479 0 40 EIAB CCN(CC)CCOC(=O)C1[C@H]2c3ccccc3-c3ccccc3[C@@H]12 1699488 IEEYLWQONYFJSB-WCRBZPEASA-N 335.447 4.049 0 40 EIAB CCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 2191124 AHOCPGIJCBCMAD-SFHVURJKSA-N 341.407 4.050 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C2 3983826 GHWUZZCCPXLMSI-OSQVXGLNSA-N 328.500 4.135 0 40 EIAB O=C(CSCc1cccc(Br)c1)Nc1ccccc1 5236369 LHKLISWTOBWHPK-UHFFFAOYSA-N 336.254 4.321 0 40 EIAB CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256059 LVZRGECVSITJKP-INIZCTEOSA-N 331.847 4.055 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 5965362 RUNYPLNONFMODC-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 6587363 LMWMFWUTOCUSMV-TYNCELHUSA-N 339.863 4.302 0 40 EIAB O=C(OCc1c(F)cccc1Cl)c1cnn(-c2ccccc2)c1 6603791 MQGHIWRLBQRCON-UHFFFAOYSA-N 330.746 4.022 0 40 EIAB FC(F)(F)c1nc(Cl)c2cnn(-c3cccc(Cl)c3)c2n1 6649816 QJDATPVUJGTCBT-UHFFFAOYSA-N 333.100 4.141 0 40 EIAB COc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6866160 KINCCLWCMOVHHU-SXGWCWSVSA-N 327.767 4.002 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 7402497 HJZNCNNPHKNJKU-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1Cl 8039002 KAMRPKGWDDVHQW-UHFFFAOYSA-N 349.839 4.150 0 40 EIAB Cc1ccc(-c2csc3ncnc(NC[C@H]4CCCO4)c23)cc1 8079072 XUIOXUXQZWYILE-CQSZACIVSA-N 325.437 4.258 0 40 EIAB COc1ccccc1C[C@H]1SC(=O)N(c2cccc(Cl)c2)C1=O 8169203 SHQLQOHCGQUMLD-OAHLLOKOSA-N 347.823 4.160 0 40 EIAB Cc1sc2nc(CN(C)[C@@H](C)c3cccs3)nc(N)c2c1C 8324642 BJKKDCMAWSFKNY-JTQLQIEISA-N 332.498 4.145 0 40 EIAB COCCNCc1c(OCc2ccccc2F)ccc2ccccc12 8469037 WTKQRNCGFXBCLQ-UHFFFAOYSA-N 339.410 4.294 0 40 EIAB COc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1 8534874 XTBQXIBHXPROMG-LFPRZYRFSA-N 329.484 4.398 0 40 EIAB CC(C)Nc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 9921526 MYDAWLZHYAEMPS-SNVBAGLBSA-N 346.481 4.203 0 40 EIAB CC(=O)Nc1ccc(CN2CCCCC[C@@H]2c2cc(C)no2)cc1 12120280 XOSPKSYUNFGHQT-GOSISDBHSA-N 327.428 4.059 0 40 EIAB COc1cccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 13729354 WBWPDACFEAOGBZ-UHFFFAOYSA-N 349.415 4.348 0 40 EIAB CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 14833536 MRPZWDFBAOCFBV-FMIVXFBMSA-N 342.826 4.130 0 40 EIAB C[C@@H]1CN(C(=O)Cc2cccc3ccccc23)c2ccccc2NC1=O 15859044 VMESIJAZXGBDSX-OAHLLOKOSA-N 344.414 4.004 0 40 EIAB CNc1nnc(SCc2csc(-c3cccs3)n2)s1 17980108 VWQRLRUPNSKGEU-UHFFFAOYSA-N 326.497 4.057 0 40 EIAB OC(CNCc1cccc(Cl)c1)(c1ccccc1)c1ccccc1 20219102 XBJSXPYOSRCISF-UHFFFAOYSA-N 337.850 4.366 0 40 EIAB C[C@@H]1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2S1 22192105 IMSZTGVBTHXQOP-QMTHXVAHSA-N 330.280 4.488 0 40 EIAB CN(C)C[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1 22893313 YUFQADXUXOUBQX-HXUWFJFHSA-N 333.435 4.264 0 40 EIAB C[C@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N1CCCCCC1 23277340 FUOVCHHGXYZQHJ-NSHDSACASA-N 338.860 4.364 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(Cl)c1 24963436 GXPYOMGETZYNAD-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CC[C@H](NC(=O)CCSc1ccccc1)c1ccc(OC)cc1 25513008 RZJAXPNOQVILEJ-SFHVURJKSA-N 329.465 4.445 0 40 EIAB Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 25624129 MQRUNZQIZMHBNT-SFHVURJKSA-N 336.460 4.474 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)cc1C 27794241 QWLSONHRFOJFOK-OAHLLOKOSA-N 336.391 4.364 0 40 EIAB C[C@H]1c2cccn2CCN1CCC(=O)Nc1cccc2ccccc12 28889434 IESFBCAGSXPKFT-INIZCTEOSA-N 333.435 4.047 0 40 EIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1Oc1ccccc1 31255667 WPARXBGFEMISBJ-UHFFFAOYSA-N 346.342 4.166 0 40 EIAB Fc1cc(CSc2nnc(-c3ccc[nH]3)o2)c2ncccc2c1 31617825 GBKYDSGKEPCBSS-UHFFFAOYSA-N 326.356 4.044 0 40 EIAB Cc1ccc(Cn2ncc3c(C(F)(F)F)cc(C(F)(F)F)nc32)o1 32739789 VPTFQUGZWKVDTN-UHFFFAOYSA-N 349.234 4.419 0 40 EIAB C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)c1cccs1 43289976 OTUPIPIGEZXBIL-VIFPVBQESA-N 343.246 4.006 0 40 EIAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC(F)F 48080238 NVEDPSVPXYIFAR-OAHLLOKOSA-N 347.361 4.274 0 40 EIAB Cc1ccc(-c2ncc(C(=O)O)c(NCc3ccccc3)n2)cc1C 49469802 IKWRQLSNZKQMIE-UHFFFAOYSA-N 333.391 4.071 0 40 EIAB CCN(Cc1ccco1)C(=O)Nc1cccc(-c2nccs2)c1 56777211 LDMCRJAHDODHRJ-UHFFFAOYSA-N 327.409 4.457 0 40 EIAB CCOC(=O)c1oc2ccccc2c1CNc1nc2ccccc2o1 57265412 OQFCVWGWCZBBHQ-UHFFFAOYSA-N 336.347 4.363 0 40 EIAB CCOc1ccccc1NC(=O)CN[C@H](C)c1cccc(Cl)c1 57315491 OZIJIPUOGLDGGU-CYBMUJFWSA-N 332.831 4.028 0 40 EIAB COc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1ccncc1 58158607 QAKIQTYNGGTDJP-UHFFFAOYSA-N 338.432 4.091 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1NCC(F)(F)F 58191017 AYAMBRIZKNKVMP-UHFFFAOYSA-N 347.340 4.323 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc23)c1 58218351 BLGRQINMYLHBOA-LRDDRELGSA-N 333.391 4.015 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1cc(C)cc(C)c1)C3 61949766 HLMZJRGQHALJCO-UHFFFAOYSA-N 349.430 4.324 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1 65720552 NMLQBVWTBLVUCH-CVEARBPZSA-N 329.465 4.059 0 40 EIAB C[C@H](Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1 65818808 JNPODUKBWDWGFS-LLVKDONJSA-N 344.465 4.019 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(Oc2nccc(C)n2)cc1 70655620 UANDRVGVFZAMIJ-UHFFFAOYSA-N 333.391 4.392 0 40 EIAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cnn(C)c3)co2)c(C)c1 71797229 ABNQKUFRTDQNAQ-LJQANCHMSA-N 336.439 4.029 0 40 EIAB COc1ccc(NC(=N)SCc2ccc(-n3cccn3)cc2)cc1 71797892 PFVMLYHAXNZSSQ-UHFFFAOYSA-N 338.436 4.161 0 40 EIAB O=C(Nc1ccccc1COc1ccccc1)[C@@H]1Cc2ccccc2O1 71818531 AMWLJTIEPNINKG-NRFANRHFSA-N 345.398 4.208 0 40 EIAB CC(C)n1c(SCC(=O)Nc2ccc(O)cc2)nc2ccccc21 71858775 UDOSKBOSLFTOFV-UHFFFAOYSA-N 341.436 4.054 0 40 EIAB O=C(NCc1cccnc1)NC1(c2ccc(Cl)cc2)CCCC1 72270862 RZYAYWFWGIHOSH-UHFFFAOYSA-N 329.831 4.004 0 40 EIAB CN(Cc1ccccc1NC(=O)CC(C)(C)C)C(=O)c1cccs1 72291483 BPOXIIYMPYZFLU-UHFFFAOYSA-N 344.480 4.395 0 40 EIAB CCCCO[C@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C 72311070 LDNZDFORIZAXHW-IRXDYDNUSA-N 343.471 4.152 0 40 EIAB CN(C)c1ccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)cc1 73739975 KMMZLSUHDXKEFS-UHFFFAOYSA-N 328.419 4.341 0 40 EIAB COc1ccc(CCC(=O)NCc2cccc3ccccc23)cc1OC 74376320 KOERWMQAGHZUJS-UHFFFAOYSA-N 349.430 4.106 0 40 EIAB C[C@@H](OC(=O)c1ccccc1C(=O)O)c1ccccc1C(F)(F)F 95080112 GOSSQWXBWXTINY-SNVBAGLBSA-N 338.281 4.322 0 40 EIAB in-vitro Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@H]3C3CCCC3)c2)cs1 95367614 QNDDRWNYXKTTFP-KRWDZBQOSA-N 329.469 4.241 0 40 EIAB CCOc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1CO 96437006 PSDIFGJEARYEAL-AWEZNQCLSA-N 338.407 4.406 0 40 EIAB F[C@H](C(F)(F)F)C(F)(F)COc1ccc(Br)cc1 96508967 BBHYRUNULSPLHC-QMMMGPOBSA-N 337.057 4.364 0 40 EIAB Cc1nc([C@@H](C)N2CCOC(C)(C)C2)oc1-c1ccc(Cl)cc1 97016224 XCEWHRYGUZKNOC-CYBMUJFWSA-N 334.847 4.475 0 40 EIAB CCn1c([C@@H](C)N[C@H](C)Cc2ccc(F)cc2)nc2ccccc21 97032875 AJERHQAKKGVZLF-HUUCEWRRSA-N 325.431 4.477 0 40 EIAB Cc1cn(-c2ccccc2)nc1NC(=O)c1cc(Cl)ccc1F 106714995 JSMTVYPYYZODOO-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB CSc1ccsc1C(=O)N(C)CCCc1nc2ccccc2[nH]1 107232827 GPZTUCGBBFSMMR-UHFFFAOYSA-N 345.493 4.051 0 40 EIAB O[C@H](CN1CCC[C@@H]1CCc1ccccc1)c1ccc(F)c(F)c1 107335594 YCFGZWFARNPSFM-YLJYHZDGSA-N 331.406 4.095 0 40 EIAB CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1cnc([C@H]2CCCO2)s1 108363205 KCMGUOXCSNYFNE-YHUYYLMFSA-N 346.496 4.057 0 40 EIAB CCc1cnc(CCNC(=O)N2CCCC[C@@H]2c2ccc(C)o2)s1 173386234 FWNKBIRUJSJPKO-OAHLLOKOSA-N 347.484 4.086 0 40 EIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 222907347 VOONRDYZKQSWIK-ZWKOTPCHSA-N 342.512 4.093 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)NCCOc1ccc2ccccc2c1 223580726 UCCNMTSVWSIVFS-KPKJPENVSA-N 335.378 4.187 0 40 EIAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)OCC1(CC1)CO2 225364777 FMFSREKRBMDPQB-UHFFFAOYSA-N 329.783 4.144 0 40 EIAB Nc1ccc(Nc2cccc(C(F)(F)F)c2)c(C(=O)N2CCCC2)c1 225477474 SDUZTTXYLXEGIM-UHFFFAOYSA-N 349.356 4.267 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(F)c1 225703412 QWPWSCPLKQBURJ-QGZVFWFLSA-N 330.428 4.198 0 40 EIAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1C 225757606 FWTHJPHIMQEFAR-INIZCTEOSA-N 342.464 4.204 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(-c2cccnc2)nc1 225765453 ACVZQHUWPWOZOE-CSKARUKUSA-N 349.821 4.127 0 40 EIAB COc1ccc2nc(C)c(C(=O)NC3CCCCCCC3)cc2c1 408713817 ZNNFJVZRLCSUFU-UHFFFAOYSA-N 326.440 4.395 0 40 EIAB CCOC(=O)c1ccc(CSc2ccccc2NC(C)=O)cc1 409178120 GNCKJQZRTVALEU-UHFFFAOYSA-N 329.421 4.114 0 40 EIAB Cc1cccc(COc2ccc(-c3nc(=O)c4ccccc4[nH]3)cc2)c1 575410794 APZXUTKGSYECEZ-UHFFFAOYSA-N 342.398 4.478 0 40 EIAB O=C(NCc1ccccc1)c1cc2ccccc2n1Cc1ccncc1 1124270427 QGYLOLKVEMFNBS-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3 99195 JPRNTSHCTIJJHG-UHFFFAOYSA-N 337.448 4.318 0 40 EIAB Cc1cccc(-n2ncc3c(Nc4cc(C)ccc4C)ncnc32)c1 426382 DJHZEFYKUVARLQ-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1 2436865 ZDKPSMKNKOWLLX-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB COc1cccc([C@]2(O)CCCC[C@@H]2CN(C)Cc2ccccc2)c1 2525846 BDLHYNRDCFWMAA-IFMALSPDSA-N 339.479 4.205 0 40 EIAB in-vitro CCN(C(=O)Cc1ccc(Br)cc1)c1ccccc1C 2739643 SYFSSSNSJNRRNY-UHFFFAOYSA-N 332.241 4.353 0 40 EIAB CCOc1ncccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3456641 AMSXMDICUDSRNB-UHFFFAOYSA-N 344.720 4.405 0 40 EIAB O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)C1CC1 4071743 IPBVZHXUBBWUGM-UHFFFAOYSA-N 344.208 4.029 0 40 EIAB O=C(c1cccc(F)c1)N1CCN=C1SCc1ccc(Cl)cc1 4120071 PRYMPEIMBVLLIT-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)nc1 4178226 YBGRPIVTZVJOEF-APWZRJJASA-N 333.416 4.385 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2ccc(Cl)cc2)cc1 4691294 GMVNVICCOATWTN-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB COCCN(C(=O)Nc1ccc(F)cc1)c1nc2ccccc2s1 4968545 WKTUXJKDEIRVAC-UHFFFAOYSA-N 345.399 4.120 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 5861980 BGJSEBWNTXHGHB-XUXNNNHQSA-N 333.859 4.192 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(Cl)c(Cl)c1 6333195 XEAUSKQLWUIWOC-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)c(O)c1 6453760 XWTWLRFMGBBFEW-UHFFFAOYSA-N 333.387 4.385 0 40 EIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1F 6541074 UWTQLIVMZCOWCR-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccs1 7053992 VPYKQCPRMCBEGV-UHFFFAOYSA-N 331.418 4.341 0 40 EIAB O=C(Nc1ccccc1F)c1cccc(NC(=O)c2cccs2)c1 7129371 QTNDDWRPDSHEEC-UHFFFAOYSA-N 340.379 4.392 0 40 EIAB COc1ccc(CCC(=O)OCc2cc(-c3ccccc3)on2)cc1 7694620 MVJGSMXBOMCYDX-UHFFFAOYSA-N 337.375 4.026 0 40 EIAB CSc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1 7725922 SCSRONNHODAUES-UHFFFAOYSA-N 325.389 4.421 0 40 EIAB Cc1ccc([C@H](NS(=O)(=O)c2ccccc2Cl)C2CC2)cc1 10682735 BQTDGXFNRZFEMA-KRWDZBQOSA-N 335.856 4.078 0 40 EIAB COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1 12155721 KKPHEEURKQCBFM-UHFFFAOYSA-N 341.455 4.062 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCc2sccc2C1 12216758 RVUQHTDVLORDCL-UHFFFAOYSA-N 342.851 4.457 0 40 EIAB CC[C@@H](C)C(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233045 YGOGDLVJMSZEGQ-LLVKDONJSA-N 327.409 4.450 0 40 EIAB Cc1c(CN2CCCC[C@H]2CCN2CCCC2=O)oc2ccccc12 12364400 ACHBPVJKZQJRLG-KRWDZBQOSA-N 340.467 4.108 0 40 EIAB Cc1ccc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 12981004 MMOHWORMGYDICA-VAWYXSNFSA-N 345.446 4.161 0 40 EIAB CC(C)c1ccc([C@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1 13003712 YJRYOVODTQAPLX-HNNXBMFYSA-N 339.435 4.349 0 40 EIAB COc1ccc2nc(NC(=O)CCCc3cccs3)sc2c1 13020557 DLCRIYHSGHCJQK-UHFFFAOYSA-N 332.450 4.328 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(Cl)c1 14398384 ZGNXCLZGMIOWEU-INIZCTEOSA-N 337.778 4.284 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ccc(-n2cccc2)cc1 15629018 IMKZVHSHDJNKTB-UHFFFAOYSA-N 341.208 4.492 0 40 EIAB COc1ccccc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 17071218 CNXOZEMNEMVLPL-UHFFFAOYSA-N 340.370 4.201 0 40 EIAB C[C@@H](CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 17796291 DURBBTVUYBLPOW-DLBZAZTESA-N 333.435 4.243 0 40 EIAB O=C(CCc1cccnc1)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373810 SPUDOSSIZHDRGP-WAGURGNTSA-N 334.463 4.103 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 20015978 NGWXAXGRDVBJHW-CQSZACIVSA-N 339.435 4.074 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1noc2c1C[C@@H](C)CC2 20352540 WAMUQRLBJXOCAL-VIFPVBQESA-N 349.228 4.123 0 40 EIAB O=C(NCc1cc(-c2ccco2)on1)c1ccc(Cl)cc1Cl 22768512 KXBGDINSTITTPV-UHFFFAOYSA-N 337.162 4.171 0 40 EIAB Oc1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccc12 23641007 YPFWVAOXGRJEHB-QWHCGFSZSA-N 331.847 4.001 0 40 EIAB C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1cccs1 26212059 CFSGEXJZLNCYMA-ZDUSSCGKSA-N 327.405 4.411 0 40 EIAB Cn1ccnc1[C@@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 30644156 RZJAXZLZUVPEQW-KRWDZBQOSA-N 329.806 4.092 0 40 EIAB Cc1n[nH]c(SCc2csc(Cc3ccc(Cl)cc3)n2)n1 32330763 TYBXIXFLCJISKL-UHFFFAOYSA-N 336.873 4.106 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCc1cccs1 32477956 QPAFQNPCFLUQSF-SNVBAGLBSA-N 344.263 4.181 0 40 EIAB CCCn1nc(C)cc1NC(=O)C(c1ccccc1)c1ccccc1 32609927 GKDFCNKWOUZSKR-UHFFFAOYSA-N 333.435 4.372 0 40 EIAB CCCCN(C)C(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 32909663 COBRGFUUFGTCOB-UHFFFAOYSA-N 343.452 4.440 0 40 EIAB C[C@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(Cl)s1 44970069 DFQGXXDSNHSDMG-AAEUAGOBSA-N 335.860 4.404 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C1CC1 47318325 RPEOEAUDNRGIPZ-UHFFFAOYSA-N 344.798 4.265 0 40 EIAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC(C)C 48737948 FSHMFSOLXCXKED-UHFFFAOYSA-N 326.400 4.169 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(N3CCCC3)s2)cc1C 52911709 DIMXMADTQAAXQV-ZDUSSCGKSA-N 347.509 4.119 0 40 EIAB CCCCN1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 53193590 FTKJVHFMJDTORQ-UHFFFAOYSA-N 335.403 4.412 0 40 EIAB CCN(C)CCNc1ncnc2scc(-c3ccc(C)cc3)c12 58049150 JVGUHZKMIRGCLB-UHFFFAOYSA-N 326.469 4.030 0 40 EIAB Cc1cccc(CS(=O)(=O)Cc2nc(-c3cccs3)oc2C)c1 69417773 AZHLETKSANOLJF-UHFFFAOYSA-N 347.461 4.135 0 40 EIAB O=C(Nc1cccc2[nH]ccc12)c1ccc2[nH]c(C(F)(F)F)nc2c1 71286971 MSPMTPCSTPXFMV-UHFFFAOYSA-N 344.296 4.315 0 40 EIAB COc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1Cl 71761092 RDUCMWMGSIOYCH-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB Cc1cccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)c1 71889911 RWKFGWKKDGMYAE-UHFFFAOYSA-N 338.382 4.281 0 40 EIAB OCCCN(Cc1coc(-c2ccccc2)n1)[C@@H]1CCc2ccccc21 72632374 ZIOYOTNZIRZSEA-OAQYLSRUSA-N 348.446 4.214 0 40 EIAB O=C(C[C@H]1C=CCC1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 89787770 YFZGLMAHALYLIE-INIZCTEOSA-N 333.431 4.261 0 40 EIAB CCc1nc(C)c([C@H](C)N(C)Cc2cc(OC)cc(OC)c2)s1 93612475 ZBQHOXUYBHSQPJ-ZDUSSCGKSA-N 334.485 4.224 0 40 EIAB COc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1NC(C)=O 95421459 NIZOANPRMCHXEX-ZDUSSCGKSA-N 338.407 4.251 0 40 EIAB COc1ccc([C@H](C)NC[C@@H](C)Cc2cccs2)cc1NC(C)=O 95968545 RUMQEPFCFYFTMR-KBPBESRZSA-N 346.496 4.245 0 40 EIAB CC1(C)OC[C@H]([C@@H](/C=C/c2ccc(O)cc2)c2ccc(O)cc2)O1 96086293 DGNCNVJVRJKHEP-ORFBMEDESA-N 326.392 4.046 0 40 EIAB biogenic Cc1cnc([C@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)s1 96444052 GFPOTYVAUGKFPZ-OAHLLOKOSA-N 347.509 4.338 0 40 EIAB Cc1ncccc1N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F 97038301 KYYGJTHCRHILJW-LLVKDONJSA-N 337.345 4.238 0 40 EIAB Cc1c(C)n(C2CCCCC2)c2ncn(Cc3ccccc3)c(=N)c12 101467798 ILHVBOUORUZLNH-UHFFFAOYSA-N 334.467 4.488 0 40 EIAB CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 139982919 YRFLKMLJQWGIIZ-NXDUYLIVSA-N 338.488 4.072 0 40 EIAB COC(=O)c1ccc2cc(C(F)(F)F)n(C(=O)OC(C)(C)C)c2c1 210945390 WVICDXTWWOMCER-UHFFFAOYSA-N 343.301 4.230 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCCC2)cc1 223657765 LJFUMGWRZCQSQU-UHFFFAOYSA-N 336.479 4.034 0 40 EIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225005306 MCEACIFOVCGDLM-JKSUJKDBSA-N 343.521 4.367 0 40 EIAB CCNC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225450189 QGENYHNNYXYSPE-UHFFFAOYSA-N 345.446 4.220 0 40 EIAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(C)cc1 225484570 DWQQWCSQIIYOJS-KRWDZBQOSA-N 342.464 4.219 0 40 EIAB Cc1ccc2c(c1)OC1(CCN(Cc3ccc(F)cc3)CC1)CC2=O 225816386 WUGBNZCGFUDDLV-UHFFFAOYSA-N 339.410 4.134 0 40 EIAB CC(C)n1cccc1CNC(=O)c1ccc2nc(Cl)sc2c1 225984332 PYGTYRLKZMCRRL-UHFFFAOYSA-N 333.844 4.262 0 40 EIAB Cc1cnc([C@H]2CCCN(C(=O)c3cccc4cccnc34)C2)s1 257257345 KPDPANADUDVSEI-HNNXBMFYSA-N 337.448 4.020 0 40 EIAB CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(C)C)C2)s1 257299383 RPVPXZLBWLACFG-OAHLLOKOSA-N 344.528 4.386 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3C(C)C)N21 260775020 OVGICUDSZNVISO-JLSDUUJJSA-N 340.496 4.443 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1 390829708 GAKUXHKTIJQBQW-ZDUSSCGKSA-N 326.371 4.002 0 40 EIAB O[C@@H](COc1ccc2ncccc2c1)Cc1ccc(C(F)(F)F)cc1 555565352 XKKMRCKPIQQRGT-MRXNPFEDSA-N 347.336 4.236 0 40 EIAB OC1(COc2ccc(Cl)c(Cl)c2)CCN(C2CCCC2)CC1 585281680 OWSYOSDWUIRQCR-UHFFFAOYSA-N 344.282 4.142 0 40 EIAB O=C(NCc1ccnc(-c2ccncc2)c1)Nc1cccc(Cl)c1 585350331 DWOPWRRPHKADOD-UHFFFAOYSA-N 338.798 4.119 0 40 EIAB CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1OCC 618257247 SWBKVGJCDLBDMF-ROUUACIJSA-N 341.451 4.341 0 40 EIAB Cc1cccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccn3)nc2)c1 1536061411 RTODOMJNWPCWAG-HNNXBMFYSA-N 333.391 4.068 0 40 EIAB COc1ccc(S(=O)(=O)Oc2cc(C)ccc2C)c2ccccc12 1561061316 WUQCHEAQTNNPRJ-UHFFFAOYSA-N 342.416 4.233 0 40 EIAB Cc1cccn2cc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc12 79510 FPLNNVHPIOFWGQ-UHFFFAOYSA-N 341.414 4.491 0 40 EIAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 190304 CFHFKDBBBFWHEJ-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)c(C)c1 364850 RJTLOEJUHXQPFY-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB CCN(CC)c1ccc(/C=C2/C(=O)N(C)c3ccccc32)c(OC)c1 575124 NOMRAYGPTBMBGC-QGOAFFKASA-N 336.435 4.058 0 40 EIAB Cc1onc(-c2ccccc2)c1-c1nnc(S)n1-c1ccccc1 1268089 DECBTPOOJPRXGI-UHFFFAOYSA-N 334.404 4.186 0 40 EIAB Cc1ccc(Nc2ncccc2C(=O)NCCc2ccccc2)cc1 1340579 CIZZHDJMFUBXCB-UHFFFAOYSA-N 331.419 4.106 0 40 EIAB COc1ccc(CSCc2cc(OC)c(OC)c(OC)c2)cc1 1856896 KYSBUCCQWHLVPG-UHFFFAOYSA-N 334.437 4.154 0 40 EIAB CCN(CC)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 2663368 CGUIXAAAOAXWHS-UHFFFAOYSA-N 332.444 4.403 0 40 EIAB O=C(NCC1CCCCC1)c1cc(Br)ccc1Cl 3428269 WTNNVTKVXWFDNQ-UHFFFAOYSA-N 330.653 4.413 0 40 EIAB O=C(CCc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 4194472 RQGOVWWFMBSAQU-UHFFFAOYSA-N 334.444 4.480 0 40 EIAB CC(C)c1ccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 4469031 FZFOKSDKAPRZND-JOCHJYFZSA-N 348.446 4.094 0 40 EIAB CC(=O)Oc1cc(N(C)C)ccc1SC(Cl)(Cl)Cl 4821638 CXUYSYCANMRNHW-UHFFFAOYSA-N 328.648 4.098 0 40 EIAB O=C(N/C(=C\c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 5398847 JTRYWBLMSLZKNJ-HKWRFOASSA-N 339.398 4.491 0 40 EIAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 5693659 UWROJMPQLGYGFM-FQEVSTJZSA-N 332.355 4.173 0 40 EIAB COc1ccc2oc(C(=O)NCCc3c[nH]c4ccccc34)c(C)c2c1 6553159 OIJNWINUXIWDIN-UHFFFAOYSA-N 348.402 4.204 0 40 EIAB Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1 6922093 VWBOYSPRMRBPBD-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1nc2ccccc2s1 7058397 GWICPIZTLXWXJJ-UHFFFAOYSA-N 342.420 4.103 0 40 EIAB Cc1ccccc1NC(=O)c1sc(=S)n(-c2ccccc2)c1N 7499908 GXFYRMJSUBOTOK-UHFFFAOYSA-N 341.461 4.411 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1 7903547 NZXGJHXEEBJFGC-UHFFFAOYSA-N 327.453 4.082 0 40 EIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cccn2)cc1 7988375 BOOQQZIJWRLSQO-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB Cc1ccc(-n2ccnc(SCc3cccc(Cl)c3)c2=O)cc1 9320355 YBFMIRCYLVENLD-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc2cccnc12 9738907 RMSZDGUXRMDGOC-UHFFFAOYSA-N 334.444 4.454 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(=O)O)ccc2C)c1 13169783 CMRWCMFVZVLSFY-UHFFFAOYSA-N 341.407 4.143 0 40 EIAB Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)(C)C)cc1 13779135 VKUPRZYXKFXZJK-UHFFFAOYSA-N 348.446 4.277 0 40 EIAB O=C(O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1 14075243 IZMCAKSUCDCNIB-UHFFFAOYSA-N 349.173 4.214 0 40 EIAB CSc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1 14187000 MFJMIDZQVINXOJ-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB COc1ccc(OC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 19295752 SWFIFTNXTDSOKU-UHFFFAOYSA-N 325.389 4.346 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-n2cccn2)cc1 19910454 KNAMFHMBWFMAJA-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB Cc1cc(C)c2nc(NC(=O)C(C)(C)Br)sc2c1 20133129 OVKPKDCPOBGHHL-UHFFFAOYSA-N 327.247 4.025 0 40 EIAB Cc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c(Br)c1 20356960 VIMSNHCSEXPRAZ-VIFPVBQESA-N 349.228 4.123 0 40 EIAB CN(C)c1ccc(NC(=O)c2ccccc2Nc2ccccc2)cn1 22396375 BQOVIDHHRBXJHG-UHFFFAOYSA-N 332.407 4.144 0 40 EIAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1OC(F)F 22839947 PESCGMFADHQGOG-UHFFFAOYSA-N 331.362 4.348 0 40 EIAB O=C(Nc1ccc2ccccc2c1)c1cccc(N2CCCC2=O)c1 27397403 LHGWEGRPKYDEBW-UHFFFAOYSA-N 330.387 4.219 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccncc3)o2)cc1C 27408129 TUOWKJLRDMKPND-MRXNPFEDSA-N 349.434 4.163 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)Cn1nc(C)c(Cl)c1C 28297105 XIEHTSHZNJKACS-INIZCTEOSA-N 345.874 4.094 0 40 EIAB COc1cccc(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1 31817444 HSWKAFZLPONURX-GFCCVEGCSA-N 329.421 4.017 0 40 EIAB CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C 32932495 XYGJIHBQILDLPS-UHFFFAOYSA-N 334.803 4.024 0 40 EIAB CCOc1ccccc1Nc1cc(C(=O)OC)nc2c(C)cccc12 38487130 QITXDJMMYAARBI-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N(CC)CC 40164041 HOGVROIWIZFUCY-UHFFFAOYSA-N 340.345 4.277 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1F)c1cccc(OC(F)F)c1 46892327 INAPYZPHUSABIF-VIFPVBQESA-N 327.277 4.057 0 40 EIAB CCSc1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1 47856212 GJOOUYBJHQCPIK-UHFFFAOYSA-N 346.452 4.138 0 40 EIAB CC(C)N(Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2 52217938 GUBWNJRZMLATQZ-UHFFFAOYSA-N 332.831 4.012 0 40 EIAB COc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C 54667166 SQZNUIMRHATDTC-IBGZPJMESA-N 346.858 4.274 0 40 EIAB COc1cccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 57848827 NRWQQLJOLLERBU-HNNXBMFYSA-N 336.435 4.188 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 58265787 WEPDCJRQKSPAPB-NSHDSACASA-N 331.803 4.181 0 40 EIAB C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)c(Cl)c1 65611431 GUWZZDYXNPBGSQ-NSHDSACASA-N 349.789 4.131 0 40 EIAB FC(F)(F)c1cnc(NCc2ccc3c(c2)OCCO3)c(Cl)c1 68838568 XQOGPQBSKLCHCL-UHFFFAOYSA-N 344.720 4.137 0 40 EIAB Cc1csc(CNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)n1 69570937 BVDZBYDTJULVPT-UHFFFAOYSA-N 344.465 4.205 0 40 EIAB O=C(Nc1ccc2c(c1)CCCN2)c1ccccc1Br 71214810 VQKDTKYCSYAUHO-UHFFFAOYSA-N 331.213 4.060 0 40 EIAB O=C1N=C(Nc2ccccc2)/C(=C/c2ccc3nccnc3c2)S1 71285594 NFRWKACZQNXAFS-WJDWOHSUSA-N 332.388 4.348 0 40 EIAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72218917 GSRNMXVKHLKEPY-INIZCTEOSA-N 331.460 4.062 0 40 EIAB CN(Cc1ccccc1)Cc1c(C2CCOCC2)[nH]c2ncccc12 72394984 GINXJZNQGSNFKB-UHFFFAOYSA-N 335.451 4.089 0 40 EIAB COc1ccccc1-c1cnc(CNc2cc(CO)ccc2Cl)o1 72912180 HHMOJQHCEMVRCK-UHFFFAOYSA-N 344.798 4.108 0 40 EIAB O=C(CCN1CCC[C@@H]1C1CCCCC1)N1CCc2sccc2C1 75120731 GURDXPDLWBUTAI-GOSISDBHSA-N 346.540 4.068 0 40 EIAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1F 75172181 XLAHXJXUGRCOQP-UHFFFAOYSA-N 338.342 4.360 0 40 EIAB Cc1cc(NC(=O)Nc2ccc(COCc3ccccc3)cc2)on1 75491416 PTDQKRUIWLRJDV-UHFFFAOYSA-N 337.379 4.344 0 40 EIAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc2ccccc2c1 76056575 TVQGSTZAPQIFKA-VWKPWSFCSA-N 336.479 4.137 0 40 EIAB Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(Cl)cc1 82307356 PBANFIZQLHSZOK-UHFFFAOYSA-N 337.810 4.035 0 40 EIAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1SC1CCCC1 84525471 HOVQLHSATVNTIG-QZTJIDSGSA-N 338.476 4.402 0 40 EIAB CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3s2)CC1 95084121 BZOJMBOMQVMSFI-UHFFFAOYSA-N 348.468 4.322 0 40 EIAB CN(C)c1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1Cl 95467117 UJNNRXDXBKMXBU-UHFFFAOYSA-N 341.842 4.337 0 40 EIAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(CCO)cc1 95961597 SMPQATMYBXILDR-UHFFFAOYSA-N 338.234 4.100 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@H](OC)c2ccsc2)cc1 96097405 YCTYTJIUIGNTPA-KRWDZBQOSA-N 333.453 4.045 0 40 EIAB COC1CCN(c2ccc(NC(=O)Nc3cccc(C)c3)cc2)CC1 96104520 KZAHIOJQFIDKCO-UHFFFAOYSA-N 339.439 4.254 0 40 EIAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1Cc1ccco1 102735346 USMIWZTUHWDSJK-UHFFFAOYSA-N 337.404 4.165 0 40 EIAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccco1 102755328 JNIWQOWJKOZQPN-QGZVFWFLSA-N 329.396 4.287 0 40 EIAB COc1ccccc1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O 106708258 UPUFETBQCJHLFH-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB COc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)c(C)[nH]2)c1 157124718 CCDFJRUXKPCSJA-UHFFFAOYSA-N 335.407 4.263 0 40 EIAB Cc1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)ccc1F 195559028 DBRNUAOKVNKVNE-NRFANRHFSA-N 325.836 4.278 0 40 EIAB COC(=O)c1cn(C(=O)Nc2cccc(Cl)c2)c2ccccc12 222641022 BKSDVDKERIYFBK-UHFFFAOYSA-N 328.755 4.162 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)COc2cccc(C)c2C)cc1C 223490966 RMNSRCVWXYLEIV-SFHVURJKSA-N 325.452 4.485 0 40 EIAB Cc1nc(NC(=S)NCc2ccccc2)c(Cl)cc1Cl 223921392 GTUVTBZMFIGKPX-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COC(C)C 224715403 WVHLTIMEDIMDED-UHFFFAOYSA-N 331.387 4.402 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccccc1F 225310148 ZQQASNUSVZNUJA-SFHVURJKSA-N 341.426 4.485 0 40 EIAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 225480227 XUKDLXFGNYJMOW-INIZCTEOSA-N 342.464 4.219 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 245358623 ZWULMDXKCIEODN-PNPHSEOMSA-N 344.480 4.100 0 40 EIAB Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2s1 282149576 QGGCGWXNFAMXRP-HNNXBMFYSA-N 343.427 4.141 0 40 EIAB c1ccc([C@H]2CCC[C@@H](Nc3nccc(-c4cnccn4)n3)C2)cc1 581291421 KGPBKBHLQDLEDG-DLBZAZTESA-N 331.423 4.072 0 40 EIAB Cc1cnc(Nc2cccc(C3CCN(CC4CC4)CC3)n2)s1 585262713 WKHZFUQQGZYAOC-UHFFFAOYSA-N 328.485 4.180 0 40 EIAB COc1ccc(-c2ccc(C(=O)O)c(C(C)C)n2)c(OC(C)C)c1 585265901 UKXYOINVGZOBJN-UHFFFAOYSA-N 329.396 4.366 0 40 EIAB NC(=O)N1CCCc2ccc(NC3CCC(C4CCC4)CC3)cc21 668077968 BQEOVDNORJIGCF-UHFFFAOYSA-N 327.472 4.289 0 40 EIAB O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCCCCC1 263893 VSKNRGBHXASDHI-UHFFFAOYSA-N 342.675 4.212 0 40 EIAB Cc1ccccc1-c1nnc2sc(-c3cccc(Cl)c3)nn12 533184 XJYHLZZKJIARAU-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB Clc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 1018224 BAHUKPLREPIXDN-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB CCc1ccc(Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 1785081 XKAFDIOYZGXPLM-UHFFFAOYSA-N 347.443 4.131 0 40 EIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl 2636408 OEGLJUSABBZLNU-JTQLQIEISA-N 342.247 4.133 0 40 EIAB CC(C)CNC(=S)N(Cc1ccc(Cl)cc1)Cc1ccccn1 2738100 XORWSEXTIGVNNN-UHFFFAOYSA-N 347.915 4.268 0 40 EIAB CC(C)NC[C@@H](O)Cn1c(-c2ccccc2)ccc1-c1ccccc1 3073616 PXGOIOUHKMXSQH-HXUWFJFHSA-N 334.463 4.181 0 40 EIAB Cc1cc2nn(CN3CCC[C@H](C)C3)c(=S)n2c2ccccc12 3315345 UAQFQIPVRAQXIG-ZDUSSCGKSA-N 326.469 4.016 0 40 EIAB COc1ccc(Br)cc1CN(C)C(=O)c1cccc(C)c1 3357195 FXDNMUCJSSMHIT-UHFFFAOYSA-N 348.240 4.038 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(C)ccc23)c1 3555960 IRXTZGVYKBHFOA-UHFFFAOYSA-N 337.375 4.017 0 40 EIAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1Cl 3609142 JERNCVQLVNHEIB-UHFFFAOYSA-N 328.799 4.401 0 40 EIAB O=C(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccco1 4050275 IPKSEEHXFQNSAD-UHFFFAOYSA-N 343.342 4.018 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)CCCC2 4059533 GMHXUZZLTDVSFU-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB Cc1cc(C)cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 4313372 XABVFEWJCSVGOH-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1ccc2nc(CSc3nnc(-c4ccccc4C)o3)cn2c1 5434793 NOZWXWZEATWSNU-UHFFFAOYSA-N 336.420 4.293 0 40 EIAB COC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5535076 CEZKLEHYJURHTB-MVOJFTAWSA-N 349.515 4.115 0 40 EIAB biogenic O=C(CCc1ccccc1)Nc1nn2cc(-c3ccccc3)nc2s1 6650906 LHGQPLURLQZXKN-UHFFFAOYSA-N 348.431 4.029 0 40 EIAB O=C(NOCc1ccccc1)C1c2ccccc2Oc2ccccc21 7791482 IGLXOBKDXFCRDV-UHFFFAOYSA-N 331.371 4.172 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(Cl)s2)cc1 7828542 AYQJTNDXDGTWFV-UHFFFAOYSA-N 336.888 4.173 0 40 EIAB Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Cl 8336214 POJQBESWGLTGOZ-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2cc(C)cc(C)c2)c(C)n1 8719160 YXROGNMMYQYMTC-UHFFFAOYSA-N 329.469 4.003 0 40 EIAB CCCCc1nc2sc3c(O)nc(SC)nc3c2c2c1CCC2 8837948 AUJILXOJZUWFLD-UHFFFAOYSA-N 345.493 4.498 0 40 EIAB CCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC 9691129 MLSWHNMFHCJRFI-UHFFFAOYSA-N 341.741 4.278 0 40 EIAB Oc1cc(CSc2nc3ccccc3o2)nn1-c1ccc(F)cc1 9937387 KIKWJWCCVWEDHL-UHFFFAOYSA-N 341.367 4.151 0 40 EIAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Cl)cc2Cl)C1 10542851 OUGJIPRFLLEBAK-BETUJISGSA-N 343.298 4.091 0 40 EIAB Cc1cc(NC(=O)C[C@H](C)c2ccccc2)ccc1N1CCCC1=O 11743235 YUCWRZKAARMMDF-HNNXBMFYSA-N 336.435 4.254 0 40 EIAB O=C(c1ccc2[nH]cnc2c1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12221811 PJHSOLNVTOILQO-ZNXRZULTSA-N 349.409 4.253 0 40 EIAB C[C@@H](O)c1nc2ccccc2n1CCOc1cccc2ccccc12 12401972 LXOZEJAHRZNERA-OAHLLOKOSA-N 332.403 4.322 0 40 EIAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1Cl 12520203 KFANLEDAYCGQJH-SECBINFHSA-N 334.206 4.361 0 40 EIAB Clc1ccccc1-c1nncn1-c1ccc(Br)cc1 12551152 LUDKJIHJGVBGDE-UHFFFAOYSA-N 334.604 4.350 0 40 EIAB CC(=O)c1c[nH]c(C(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c1 12801119 XHGFWONUGOCWLS-SFHVURJKSA-N 338.432 4.107 0 40 EIAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1O 13002624 OXQVWGQVZIGOLT-UHFFFAOYSA-N 344.823 4.350 0 40 EIAB COC(=O)c1cccc(NC(=O)CCSCc2ccccc2)c1C 13688089 AALMHCYYVXBMJK-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccsc3)n2)c(OC)c1 14197270 IUDHKXAZXHURJX-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB CCN1C(=O)[C@@H](Cc2cccs2)c2cc(Br)ccc21 15018261 OJTQQQPCIYDRKQ-ZDUSSCGKSA-N 336.254 4.203 0 40 EIAB COc1cccc(/C=C\c2cc3c(cc2Br)OCO3)c1 17130456 RVXDVINLCNIICL-WAYWQWQTSA-N 333.181 4.357 0 40 EIAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC)cc1 18131799 PVQRICZUGPSCGX-NRFANRHFSA-N 349.430 4.495 0 40 EIAB CC(C)COc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20142048 HEIRRAQXGKRKCF-UHFFFAOYSA-N 347.798 4.325 0 40 EIAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20490474 NUZLLRCMNUOJNP-CQSZACIVSA-N 335.494 4.065 0 40 EIAB Cc1ccc(CSCCNC(=O)Cc2cc(C)ccc2C)cc1 20495372 CGPWBFLKVAMFCN-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB O=C(CCC1CCCCC1)Nc1cnn(Cc2ccccc2F)c1 28220406 NXQZADKCUSYNJF-UHFFFAOYSA-N 329.419 4.370 0 40 EIAB O=C(CCc1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 29770135 WSFAGBTZMQATBQ-UHFFFAOYSA-N 343.839 4.430 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccncc1 32424405 HMHXMMLHROCOEY-DUXPYHPUSA-N 326.705 4.406 0 40 EIAB CCONC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 32848377 ITOHXKJUKSWQNP-UHFFFAOYSA-N 325.286 4.179 0 40 EIAB O=C(/C=C/c1ccccc1OC(F)F)N1CC[C@@H]1c1ccccc1 32926565 IMYUBAPAGJVVKB-SIFUEBAJSA-N 329.346 4.275 0 40 EIAB O=C(NCC(F)(F)F)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 40062211 VVUIEJHCCXJBGX-GHMZBOCLSA-N 340.370 4.025 0 40 EIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1cc(F)ccc1F 40089044 QJJNKHMHFMJWPE-UHFFFAOYSA-N 330.378 4.203 0 40 EIAB CCOC(=O)c1ccoc1CN(Cc1ccc(Cl)cc1)C1CC1 40153631 FEGVHDJJIHNBGC-UHFFFAOYSA-N 333.815 4.274 0 40 EIAB CCCCOc1ccc2oc(C)c(C(=O)NCc3cccnc3)c2c1 46086091 XNBVZBBVQPNSFF-UHFFFAOYSA-N 338.407 4.245 0 40 EIAB O=C(CCc1ccccc1O)Nc1ccc(Nc2ccccc2)nc1 58264523 CPKQBRDEXYAREN-UHFFFAOYSA-N 333.391 4.102 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC(c2ccccc2)CC1 58368708 BMTCIBONGTWRAJ-UHFFFAOYSA-N 348.406 4.148 0 40 EIAB Cc1nnc(SC[C@@H](O)c2ccc(F)cc2)n1C1CCCCC1 66347376 WUFWRDNBDPRWLL-MRXNPFEDSA-N 335.448 4.057 0 40 EIAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cc1 69452545 DJAUCSVNUQQSTQ-OKZBNKHCSA-N 327.449 4.224 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccsc1 71884309 VZXSEDDMNSNKCV-UHFFFAOYSA-N 342.445 4.243 0 40 EIAB CC(=O)c1cccc(SCC(=O)N2CCC[C@H]2c2cccs2)c1 71916353 ORIGTRZAYGDLJI-INIZCTEOSA-N 345.489 4.407 0 40 EIAB CC[C@H](c1ccccc1)N1CCCN(C(=O)Oc2ccccc2)CC1 72074099 XBSCFOZRGUUVPW-HXUWFJFHSA-N 338.451 4.344 0 40 EIAB O=C(NC[C@H](O)c1ccco1)Nc1sc2ccccc2c1Cl 72286247 IPUBJWGRCQTHOM-JTQLQIEISA-N 336.800 4.003 0 40 EIAB CCn1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cn1 74040253 XUADIOGOILJWKY-UHFFFAOYSA-N 348.431 4.432 0 40 EIAB C[C@@H](c1ccccc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 74104040 QFMURYSWLROULO-AWEZNQCLSA-N 327.405 4.018 0 40 EIAB Cc1c(C(=O)Nc2cc(F)c(F)cc2Cl)c(=O)oc2ccccc12 84068128 AHDJZIHQNRIGJG-UHFFFAOYSA-N 349.720 4.285 0 40 EIAB CC(C)(C)c1cc(N2CCC(c3ncc[nH]3)CC2)nc(C(C)(C)C)n1 84241161 AOWDOSCJXAQQPQ-UHFFFAOYSA-N 341.503 4.179 0 40 EIAB O=C(c1ccc(F)c(F)c1)N(Cc1ccoc1)Cc1cccs1 90612100 ITJQBQBJVSEZFK-UHFFFAOYSA-N 333.359 4.462 0 40 EIAB CC1(C)CCCC[C@@H]1CC(=O)NCC1CCN(c2ccncc2)CC1 93066385 INWLGGMVSHOYJY-GOSISDBHSA-N 343.515 4.021 0 40 EIAB COc1cccc(NC2CCN(Cc3cnc(C4CC4)s3)CC2)c1 93358226 XLKFPRDZTAKXSJ-UHFFFAOYSA-N 343.496 4.106 0 40 EIAB COc1ccsc1C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 95381538 VEXHBHWDEZFLIL-UHFFFAOYSA-N 339.420 4.207 0 40 EIAB Cc1ccc(SC2CCCC2)c(C(=O)N(C)Cc2cnccn2)c1 95464142 YGPCWKLAOJBODW-UHFFFAOYSA-N 341.480 4.092 0 40 EIAB c1ccc(Nc2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)cc1 96267314 VQYKCULACJZXFO-UHFFFAOYSA-N 347.466 4.062 0 40 EIAB CC1CCC(N(Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1 96486851 NNZKLCYFFCYETG-UHFFFAOYSA-N 347.503 4.021 0 40 EIAB Cc1cc(C)c(NC(=O)CCc2cccc(Br)c2)c(C)n1 96998049 WWQMLHIDFDPTFI-UHFFFAOYSA-N 347.256 4.341 0 40 EIAB Cc1c(O)nc(SCc2nccn2C(C)C)nc1-c1ccccc1 97141231 AFPWBLFBQZDBRX-UHFFFAOYSA-N 340.452 4.227 0 40 EIAB CCCCc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100265824 IHPRBKCYVAPHAI-WOJBJXKFSA-N 329.440 4.090 0 40 EIAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)c2cc1Cl 102402906 OTYBHBHEFFGYPP-SLEUVZQESA-N 344.794 4.010 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 103074912 IFRSYECQIYCSLQ-BYNQJWBRSA-N 342.266 4.313 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 113969727 KGNODIHLDDJYSF-CYBMUJFWSA-N 333.815 4.453 0 40 EIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CCOCC1 117128317 BZZPLAPURVDYJV-NSHDSACASA-N 330.255 4.330 0 40 EIAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 224423297 JNUOIDMMLMXUSM-OAHLLOKOSA-N 327.424 4.362 0 40 EIAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COC 224683507 NOAZOBAIEQYZMF-UHFFFAOYSA-N 327.424 4.355 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2Cl)c1 225437152 VWEPTBOARDZBAQ-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(OC)c(C)c1 225443823 BEQTZIARYXJPKY-KRWDZBQOSA-N 331.843 4.467 0 40 EIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOC)cc1 225745877 DXKXGBGKTSSURB-LJQANCHMSA-N 337.460 4.026 0 40 EIAB C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(C[S@](=O)C2CCOCC2)c1 252585094 GAGLPYAGTBOIND-ONKLLMOWSA-N 349.540 4.351 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3C(C)C)N21 260775023 OVGICUDSZNVISO-OLMNPRSZSA-N 340.496 4.443 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)cc3)N21 260786579 YJUBCOGPGQIXLE-JLSDUUJJSA-N 339.464 4.070 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C(F)F)cc1 408541795 DVCPISOAGLEYTQ-UHFFFAOYSA-N 333.363 4.231 0 40 EIAB Cc1n[nH]cc1CNC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C 504533826 SIMOROKKGBYLFJ-IBGZPJMESA-N 342.487 4.113 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)C1SCSCS1 114529 QCRFKISKXPJLEO-UHFFFAOYSA-N 325.402 4.098 0 40 EIAB Fc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1 532952 DCJHSDUAJLLDBQ-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB CC(C)COc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 568916 PEJUIOHJXNYVGT-UHFFFAOYSA-N 327.468 4.276 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364507 BPBPPKCFHFUYID-AWEZNQCLSA-N 345.468 4.084 0 40 EIAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2ccccc2)C1=O 2680126 GCFQIFPBARLFHR-QGZVFWFLSA-N 343.423 4.139 0 40 EIAB CSc1ccccc1NC(=O)Cn1c(SC)nc2ccccc21 3254753 WLSITSFIQBRCJL-UHFFFAOYSA-N 343.477 4.119 0 40 EIAB O=C(CSc1nnc(Nc2ccccc2F)s1)c1ccccc1 3355342 WAHAIQQGQMYQDC-UHFFFAOYSA-N 345.424 4.396 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 3452312 ZHTYZEHFEWOIKQ-UHFFFAOYSA-N 347.370 4.247 0 40 EIAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1cccs1 4854594 HPLWYRQUSGGVIE-HNNXBMFYSA-N 329.450 4.248 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12 5127692 BXQDCWXEYPQWPE-JXMROGBWSA-N 339.778 4.261 0 40 EIAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1 6005573 MWRCMDQJFIVWLV-ZDUSSCGKSA-N 331.437 4.204 0 40 EIAB CC(C)[C@@H](NC(=O)c1ccccc1F)c1ccc2c(c1)OCCCO2 6790036 ZJRCGQMTJQAVFQ-LJQANCHMSA-N 343.398 4.114 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2F)N1Cc1ccco1 7113024 RZCGDOUYZKDAKT-GOSISDBHSA-N 340.329 4.325 0 40 EIAB O=C(CCC1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 7988208 FDPNZVWPBIDFLH-UHFFFAOYSA-N 336.863 4.086 0 40 EIAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 8287441 PKPKVKHBMBOSMK-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1C 8330478 PXRRUGJLQICMAL-DHZHZOJOSA-N 329.783 4.087 0 40 EIAB O=C(Nc1nnc(SCc2cccs2)s1)C1CCCC1 8389741 TVFCIGXDECZHKQ-UHFFFAOYSA-N 325.484 4.021 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSC1CCCCC1 8477794 SHQXTHGOVUWJRJ-GOSISDBHSA-N 335.513 4.335 0 40 EIAB O=c1[nH]c(=S)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 9445590 ULNNRTAGGHESOC-UHFFFAOYSA-N 347.399 4.217 0 40 EIAB COC(=O)c1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1C 10335848 RASAORAKATXEIG-UHFFFAOYSA-N 339.435 4.476 0 40 EIAB COc1ccccc1/C=C/CN1CCC(O)(c2cccc(C)c2)CC1 12328898 UNFIEZWYVFFOJG-RMKNXTFCSA-N 337.463 4.000 0 40 EIAB COc1cccc(/C=C/c2nc3ccc(C)cc3cc2C(=O)O)c1OC 12569330 IZAJAPQBFALGGF-CSKARUKUSA-N 349.386 4.429 0 40 EIAB COc1ccccc1-c1noc(CN2CCCc3cc(C)ccc32)n1 12592144 XBWNVIHVICQRDB-UHFFFAOYSA-N 335.407 4.006 0 40 EIAB COc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)c1 13009959 KJGDJNHVNIPPHA-INIZCTEOSA-N 348.446 4.307 0 40 EIAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1cccc(C)c1 13070419 XPJJEWRJGUARBO-ZDUSSCGKSA-N 332.831 4.405 0 40 EIAB Cc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 13367481 BVUQAMFHSRMCMU-UHFFFAOYSA-N 348.427 4.310 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 14268998 IJISTWYORKUHCT-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 15603742 CVIGHIREOZYXGZ-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB Cc1ccc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 16840071 DNXRKRXCEDVCHT-UHFFFAOYSA-N 343.430 4.137 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 20110703 NWFMPXXUMONKLY-CQSZACIVSA-N 347.842 4.211 0 40 EIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Cl 20219926 PBKJRPICORVSLH-UHFFFAOYSA-N 342.786 4.054 0 40 EIAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(F)cc3)sc2c1 22024298 GZQCUAGQJRIVNS-NSHDSACASA-N 330.384 4.150 0 40 EIAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccccc1F 22072217 UVBGVLTZXVADEL-UHFFFAOYSA-N 325.318 4.356 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(F)c(F)c1 24593577 KZKBQBSFJMLWTO-UHFFFAOYSA-N 334.347 4.171 0 40 EIAB c1coc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 25350795 HLBISSKZSULABF-UHFFFAOYSA-N 344.465 4.499 0 40 EIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 27588476 JAGVEEWNOQSGNW-HNNXBMFYSA-N 347.480 4.167 0 40 EIAB COc1ccc(CN(Cc2ccco2)C(=O)c2cccs2)cc1 28231915 BADMKMFLEFMWNY-UHFFFAOYSA-N 327.405 4.192 0 40 EIAB CN(C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 28295571 RSPXLQCWKIXQLM-XFIJJGBISA-N 337.548 4.233 0 40 EIAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@@H](C)C[C@H](C)C1 29515696 FGPBGMZFUHHYCY-RYUDHWBXSA-N 336.501 4.159 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cnc2ccccc2c1 32901515 NCGKUHPCYAXEFP-UHFFFAOYSA-N 344.414 4.325 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccc(-c3cn4c(n3)CCC4)cc2)cc1 32905905 LRDWBOBWWCBQTP-UHFFFAOYSA-N 345.446 4.376 0 40 EIAB CN(C)c1ccc(-c2nc3cnccn3c2Nc2ccc(F)cc2)cc1 35622695 CTHYGQPWEJMXGV-UHFFFAOYSA-N 347.397 4.345 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccncc1 45120534 PYTCCWAXGYLIQH-CRAIPNDOSA-N 339.439 4.006 0 40 EIAB C[C@H](c1ccccc1Cl)N(C)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 45442812 MEKKQDKWUFUSQE-JKXDFHQYSA-N 333.859 4.255 0 40 EIAB Cc1nccn1-c1ccc(CNCc2ccc3ccccc3c2)cn1 48782353 ZHHNSZYONHQTOS-UHFFFAOYSA-N 328.419 4.019 0 40 EIAB O=C(Nc1nnc(-c2ccsc2)o1)c1cc(Cl)ccc1Cl 49029105 PCKBURBXEKEBLE-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB CCOc1ccc(-c2nc(N)cc(Nc3cc(C)cc(C)c3)n2)cc1 49468034 RLBBXEBUUKZJGC-UHFFFAOYSA-N 334.423 4.485 0 40 EIAB CC[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 69415036 RXHCULWVVUVYDA-HNNXBMFYSA-N 347.484 4.206 0 40 EIAB Cc1ccc(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1C 71405926 LKTFEYUWPXOQQU-OAHLLOKOSA-N 345.826 4.229 0 40 EIAB COc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c(C)c1 72243378 QONPBJFKKCALJY-UHFFFAOYSA-N 349.312 4.151 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc(-c2cccc(Cl)c2)nn1C 72404558 HESHEKDLSFHOFP-UHFFFAOYSA-N 339.826 4.013 0 40 EIAB COc1ccc(CNCc2cccc3cccnc23)c(Cl)c1OC 89435027 PBUBNNHROVRSFV-UHFFFAOYSA-N 342.826 4.195 0 40 EIAB Cc1cnc([C@H](C)NC(=O)N(Cc2ccccc2F)C2CCC2)s1 95412583 GEJJGDTZQVHMOM-ZDUSSCGKSA-N 347.459 4.416 0 40 EIAB Cc1cc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 95421260 TUGFWRNVJDCNSB-ZIAGYGMSSA-N 328.412 4.265 0 40 EIAB Cc1cnc([C@@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 95423625 NBFIHKAHJDGCBP-CHWSQXEVSA-N 344.484 4.147 0 40 EIAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCCc1ccc2ccccc2c1 95986585 YTWOOQGLQOHRSU-FQEVSTJZSA-N 347.462 4.090 0 40 EIAB O[C@H](CN1CCCCC1)C12C[C@@H]3C[C@H](CC(c4ccccc4)(C3)C1)C2 101024330 FAPURBNBNPMIEX-PUDLTMERSA-N 339.523 4.371 0 40 EIAB C[C@@H](NC(=O)CSc1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102181736 RVCQWVRRPPENEJ-ZOBORPQBSA-N 346.521 4.329 0 40 EIAB Cc1nc(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)cs1 219267260 CBQOSJCJCVGTLK-MRXNPFEDSA-N 332.494 4.080 0 40 EIAB Cc1ccc(N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 219859318 WVQAKRBBWYLSLN-UHFFFAOYSA-N 328.500 4.441 0 40 EIAB CCOc1ccc(CCCNC(=O)CCc2ccccc2Cl)cc1 220018076 XEODJSIIMZTXRH-UHFFFAOYSA-N 345.870 4.420 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)S1 222603247 HZLLCEALRSHAFC-XYPHTWIQSA-N 340.496 4.227 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1C 224257129 UZDFCFGUOYMZFW-OALUTQOASA-N 348.475 4.204 0 40 EIAB CCOc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225107098 IOMPDSUUDDLTKY-IBGZPJMESA-N 342.435 4.458 0 40 EIAB CCc1ccc(CC(=O)NCCSCc2cccc(C)c2)cc1 225228742 ACBXAWTWHOQLEU-UHFFFAOYSA-N 327.493 4.150 0 40 EIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225821224 RRYKZFPVPAOXQH-HNNXBMFYSA-N 333.350 4.248 0 40 EIAB Cn1cnc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21 225892545 JRCVEVOXFGDEHK-UHFFFAOYSA-N 341.414 4.093 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCC)c3ncccc23)CCCC1 225909322 JCPCJLOIFQFVPB-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB COc1ccc(C(=O)NC[C@H](c2ccco2)c2cccs2)cc1F 585147689 IJGHAPKDBDRGJF-CYBMUJFWSA-N 345.395 4.051 0 40 EIAB COC1(c2nc(Cc3cccc(F)c3)no2)CCC(C(F)F)CC1 1616046111 NDTSBFIJSJAOFS-UHFFFAOYSA-N 340.345 4.097 0 40 EIAB O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc(F)cc1 31578 SBEGHRVMEAQORX-UHFFFAOYSA-N 330.362 4.116 0 40 EIAB CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCCc2ccccc21 417477 XSIJQKATWPKMEU-IBGZPJMESA-N 339.487 4.328 0 40 EIAB CCn1c(COc2ccccc2C)nnc1SCc1ccccc1 419289 KJYZPLNOATZRML-UHFFFAOYSA-N 339.464 4.478 0 40 EIAB Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 1401128 YZVXFVBAKCKLBS-UHFFFAOYSA-N 341.798 4.427 0 40 EIAB CCCCc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 1916359 ULLBDAPWDAUTGB-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB CCCSc1nc2sc3c(c2c2nnc(C)n12)CC(C)(C)OC3 2371920 XXFAEBYCWNHYMV-UHFFFAOYSA-N 348.497 4.001 0 40 EIAB Cn1c(NC(=O)c2ccco2)c(-c2ccccc2)c(=O)c2ccccc21 2433947 JTTMFRKBNODIRN-UHFFFAOYSA-N 344.370 4.051 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1ccc(Cl)s1 2636778 PDDCKMMELLKXDM-FPYGCLRLSA-N 341.215 4.494 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o/c1=N\O 4675540 IHUDOIZQWIRRCA-SILNSSARSA-N 349.173 4.282 0 40 EIAB CCCn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 4911261 CNFQYFODRVTGCX-GOSISDBHSA-N 347.462 4.005 0 40 EIAB CCc1cc2c(=O)n(Cc3ccc(C(C)(C)C)cc3)cnc2s1 5010017 RUAFZXQTSUIFMF-UHFFFAOYSA-N 326.465 4.366 0 40 EIAB O=C(NCCc1csc(-c2cccc(F)c2)n1)C1CCCCC1 5137518 FKCZFZULQPPMMU-UHFFFAOYSA-N 332.444 4.188 0 40 EIAB COCCOc1cc(NC(=O)c2ccccc2)c(Cl)cc1Cl 5355872 TVOKJTDAKJYHBU-UHFFFAOYSA-N 340.206 4.271 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](NC2CCCC2)c2ccccc2)c1 6552487 OWIGBOWNLMZDBC-HXUWFJFHSA-N 336.435 4.101 0 40 EIAB CCCCCN[C@@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 6648431 XRSDIKQKWLGQFQ-ZDUSSCGKSA-N 341.480 4.492 0 40 EIAB Cc1cc2occ(CC(=O)N[C@H]3CCOc4ccccc43)c2cc1C 7218253 KGJKSJYZRKZBQJ-SFHVURJKSA-N 335.403 4.232 0 40 EIAB CCOc1ccc(Br)cc1CNCc1ccc(C)cc1 7538037 CJDTUBVULVYZQK-UHFFFAOYSA-N 334.257 4.446 0 40 EIAB Cc1noc(C)c1CSc1nc(N)c2c3c(sc2n1)CCCC3 7735753 BZLTYVRGORTUDH-UHFFFAOYSA-N 346.481 4.049 0 40 EIAB O=C(NCc1ccccc1F)c1ccccc1COc1ccccc1 7755003 KPSWZMHOJOQRFS-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)cc1 7945830 QFFTWDIYGMROOG-SFHVURJKSA-N 340.810 4.243 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2c(C)cc(C)cc2C)c(F)c1F 9141663 HNOJKFHWJPSEPH-UHFFFAOYSA-N 341.304 4.429 0 40 EIAB CC(C)c1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1 9762751 MJTSGMNTIBXEFS-UHFFFAOYSA-N 339.420 4.230 0 40 EIAB c1ccc2c(c1)CCN(c1ccc(-c3nc4ccccc4[nH]3)cn1)C2 12507019 AOOOSFKZWWDULK-UHFFFAOYSA-N 326.403 4.188 0 40 EIAB O=C(OCc1cc(-c2ccccc2)no1)c1c[nH]nc1-c1ccccc1 12535087 GNWCEDUZBZZJIV-UHFFFAOYSA-N 345.358 4.089 0 40 EIAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccccc1 12982707 JPAUICJSQUXIIB-UHFFFAOYSA-N 332.806 4.082 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)c1 13632723 LXCJJHPKIFXILX-QGZVFWFLSA-N 327.493 4.366 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)CCC2 14252966 XROJWSRQOWERQY-UHFFFAOYSA-N 334.188 4.329 0 40 EIAB CCOc1ccccc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19520178 BUISKCJYGOQDMZ-KRWDZBQOSA-N 335.451 4.341 0 40 EIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc2ccccc2o1 20139660 MNEZYYQMAFLCOI-UHFFFAOYSA-N 333.343 4.437 0 40 EIAB COc1ccc(SCC(=O)NCCCc2ccc(Cl)cc2)cc1 20460269 AMJHTCUHQZFSAN-UHFFFAOYSA-N 349.883 4.190 0 40 EIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Oc1ccc(F)cc1 21586713 MSJXEUDGDLWOPV-UHFFFAOYSA-N 346.745 4.067 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2OC)cc1 22072145 KKPJKNHAIPNVHW-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)nc1 22413949 ZELOQJSZBXQFIM-UHFFFAOYSA-N 338.329 4.450 0 40 EIAB FC(F)(F)c1ccnc(N[C@@H](c2ccccc2)c2ccccn2)n1 24053956 BJZIAWYMLAAXOF-HNNXBMFYSA-N 330.313 4.092 0 40 EIAB CCc1cc2c(Sc3nnc(C4CC4)n3C3CC3)ncnc2s1 24060782 GOTGBYMIQSNZCA-UHFFFAOYSA-N 343.481 4.209 0 40 EIAB OC(c1ccccc1)(c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 26522511 QNOJLRIMRWPNKS-QHCPKHFHSA-N 343.470 4.445 0 40 EIAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)cc12 30477331 VRSIDGMYKMYMFN-SECBINFHSA-N 349.312 4.041 0 40 EIAB CC(C)Oc1ccc([C@H](CCNC2CCN(C)CC2)C(C)C)cc1 31817903 UPCRAPFPEZOGTA-OAQYLSRUSA-N 332.532 4.287 0 40 EIAB O=C(O)C/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 32642050 AOTVRDZAFREXAH-GHXNOFRVSA-N 339.372 4.040 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 32902442 LMCRTRVSVWSGAZ-KRWDZBQOSA-N 348.849 4.292 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@H](c2cccnc2)C1 36366937 LDXMODJCEJLYGQ-LBPRGKRZSA-N 342.761 4.183 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N1CCCCc2ccccc21 40088407 GZOJGOYTKQXOES-UHFFFAOYSA-N 338.432 4.315 0 40 EIAB COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(OC)c1 40098608 ZXLNUNQIOUXJJN-LBPRGKRZSA-N 332.375 4.068 0 40 EIAB CC1=C[C@]2(Nc3cccc(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545295 OTFQPYVFPSLVDS-OAQYLSRUSA-N 345.402 4.443 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)c(C)c1 44856567 HFFJIEPTAXFWRX-NRFANRHFSA-N 347.462 4.429 0 40 EIAB Cc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44873432 DZLNTTTVCIHYQC-BUHFOSPRSA-N 348.490 4.311 0 40 EIAB Cc1nc(NC(=O)c2csc(NCc3ccccc3)n2)sc1C 44922130 DQVSEWGSQBWELP-UHFFFAOYSA-N 344.465 4.081 0 40 EIAB O=C(NCc1ccncc1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 45051306 JBRWKBIOHFKTGZ-MGAZVUHYSA-N 346.474 4.236 0 40 EIAB Cc1cc2nnc(SCC[C@@H]3CCCCN3C)n2c2ccccc12 57745378 SIQZKMNHYKEJPH-HNNXBMFYSA-N 340.496 4.157 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351947 VBMVTGABRQWPIC-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB Cc1cc(C)cc(C[S@@](=O)Cc2coc(-c3ccccc3)n2)c1 69442141 NKOLYFILYQPOON-QHCPKHFHSA-N 325.433 4.407 0 40 EIAB COc1ccccc1C/C(C)=C/C(=O)N(Cc1cccnc1)C(C)C 69528483 DMBGRWLDFOYIQK-GHRIWEEISA-N 338.451 4.016 0 40 EIAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)cnc1N1CCCC1 72218836 DYOQMFTYOWEJIT-FQEVSTJZSA-N 349.478 4.358 0 40 EIAB Cc1sc(NC(=O)[C@@H]2CC23CCOCC3)nc1-c1ccc(F)cc1 75093396 DTAYXJLOGCXYNI-AWEZNQCLSA-N 346.427 4.013 0 40 EIAB COc1cccc(CN(C)C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 77291402 CWTFOLQZKJTWML-KRWDZBQOSA-N 340.250 4.167 0 40 EIAB in-vitro CC(C)n1cnnc1CNc1nc2cc(C(F)(F)F)ccc2s1 78251542 PWYUNZYYJQZUOX-UHFFFAOYSA-N 341.362 4.100 0 40 EIAB Cc1cc2cc(C(=O)Nc3ccc(-c4nc[nH]n4)cc3)oc2cc1C 80206892 TYMFPZSESBBAQK-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc(O)cc1 89794442 OGFFXMSHUFEPRI-OAHLLOKOSA-N 338.388 4.038 0 40 EIAB Brc1ccc(CNCc2csc(C3CCC3)n2)cc1 95093921 MPVXXLSSFJOLJV-UHFFFAOYSA-N 337.286 4.463 0 40 EIAB COc1ccc(CCN[C@@H]2CC(C)(C)Cc3occc32)cc1OC 95967074 RAHUIICDHJWCQK-MRXNPFEDSA-N 329.440 4.143 0 40 EIAB COC(=O)C[C@@H](C)S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 96409801 PUGOUUJZFISPSY-ZJUUUORDSA-N 340.832 4.136 0 40 EIAB C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccsc1 96476618 BKOJOHJNBHRHKI-LLVKDONJSA-N 342.386 4.274 0 40 EIAB O=C(O)c1ccc(Oc2cc(-c3cccc(Cl)c3)ncn2)cc1 96531086 HFNXMMRDTJRAQH-UHFFFAOYSA-N 326.739 4.288 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccc(OC(C)C)cc3)oc12 97074623 CGKJLGQSJWIPGX-UHFFFAOYSA-N 325.364 4.481 0 40 EIAB COc1ccc2ncc(C(=O)c3ccccc3)c(N3CCCCC3)c2c1 101551757 POLFQYRHMWDSEA-UHFFFAOYSA-N 346.430 4.465 0 40 EIAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 107346254 LEUWUVYHBZQDSK-PSBWJHGTSA-N 343.467 4.132 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F 206757414 NLDKIZIAJNUMQV-FOSCPWQOSA-N 329.387 4.204 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(C)cc1 219589580 RQFGCEZAXFADAL-HXUWFJFHSA-N 325.452 4.210 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(C)c2)cc1Cl 223082744 QSLDXOMCAROANR-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(C)c(C)c2)c1 224057685 LROLMIJILCAGFT-MRXNPFEDSA-N 341.451 4.131 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)c1 224288128 LBVSFMBRUKPNTG-OALUTQOASA-N 349.459 4.469 0 40 EIAB COCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 224397940 IUIHYEPCBKLZBL-UHFFFAOYSA-N 339.313 4.113 0 40 EIAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 225441096 CPUBHWSXWPGWLN-MRXNPFEDSA-N 347.842 4.167 0 40 EIAB CCC1(CC)C[C@@H](NC(=O)Cc2cccs2)c2ccccc2O1 225823873 MPFHBFTUBUZBEC-MRXNPFEDSA-N 329.465 4.489 0 40 EIAB CN1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 408816983 KKYHCJCHNWUAIB-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB CC(=O)OC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361314 WYHFVJKIFGUWFQ-UHFFFAOYSA-N 342.235 4.249 0 40 EIAB Cc1ccc(CN(Cc2nnc([C@H]3CCCOC3)o2)C(C)(C)C)cc1 585123492 RHXOWVQIUAMIRX-KRWDZBQOSA-N 343.471 4.073 0 40 EIAB O=C(c1cc(Cl)ccc1F)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 1640363053 AOKLEGLMAUXALA-MSOLQXFVSA-N 347.817 4.207 0 40 EIAB CCCCCOc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794669 GQIUKCORYFHRQD-UHFFFAOYSA-N 337.217 4.221 0 40 EIAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1OC 285885 HBCRLHZCIKXVTG-UHFFFAOYSA-N 340.375 4.103 0 40 EIAB biogenic Cc1csc(C2N(O)c3ccccc3-c3ccccc3N2O)n1 344305 ZNYUGCBYQFRCQT-UHFFFAOYSA-N 325.393 4.222 0 40 EIAB CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 383715 MVWUFEVIMIVWGL-UHFFFAOYSA-N 340.206 4.410 0 40 EIAB O=S(=O)(Nc1cccnc1Cl)c1ccc(-c2ccccc2)cc1 806171 JKYVSKFWVITOSB-UHFFFAOYSA-N 344.823 4.203 0 40 EIAB CCCN(C(=O)C1CCC1)c1nnc(-c2ccc(Cl)cc2)s1 1356468 XRBJISQOCWCJRI-UHFFFAOYSA-N 335.860 4.402 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1cc(C)ccc1C)C2 1369848 INQLBNYVUUSPRY-ROUUACIJSA-N 345.556 4.385 0 40 EIAB O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F 1645265 BLLKGULIOVANKE-UHFFFAOYSA-N 332.325 4.056 0 40 EIAB Cc1cccc(OCCCC(=O)Nc2nnc(C(C)C)s2)c1C 1786410 WNWNXFVOMKGJTG-UHFFFAOYSA-N 333.457 4.076 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)c1C 2796436 SNLZYNHINCIRFG-NSHDSACASA-N 339.361 4.102 0 40 EIAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 3304502 YJNUSYXLPUIDNG-CALCHBBNSA-N 338.451 4.395 0 40 EIAB Cc1ccc(CN[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3339036 PMFRQAKGJWDBHX-CYBMUJFWSA-N 336.357 4.131 0 40 EIAB Cc1cc(SCC(=O)N2CCCC[C@H]2C)nc2c(C)cccc12 3381853 NLHVGPCZYZXPMN-OAHLLOKOSA-N 328.481 4.345 0 40 EIAB Cc1ccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)cc1 3497238 XIPZSCZGRRSCQY-UHFFFAOYSA-N 337.375 4.194 0 40 EIAB CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@H]2C 4025694 KPUIORAMYKZOGW-CVMAZLICSA-N 329.440 4.489 0 40 EIAB O=C(NCc1c(Cl)cccc1-n1cccc1)c1ccc(F)cc1F 4054877 MMAWQLFUNDXLCP-UHFFFAOYSA-N 346.764 4.339 0 40 EIAB O=C(O[C@H]1c2ccccc2C(=O)N1Cc1cccs1)c1ccccc1 4108828 KLIQUGFAHATDBM-IBGZPJMESA-N 349.411 4.260 0 40 EIAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O 4308986 MKTASFILKHBQTM-ZHRRBRCNSA-N 348.446 4.354 0 40 EIAB CCCc1cc(=O)[nH]c(SCc2cc(Cl)ccc2Cl)n1 4368083 WOCJHYCMNRAGBJ-UHFFFAOYSA-N 329.252 4.322 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)Cc2cccc3ccccc23)cc1 5452161 QINKIUNOGAYFNC-UHFFFAOYSA-N 343.386 4.379 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1c2ccccc2C[C@@H]1C 5898203 QTRVUCMNVAUZIP-STQMWFEESA-N 344.842 4.127 0 40 EIAB COC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6579584 DJSJJTOJCFMMHN-UHFFFAOYSA-N 345.398 4.321 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 6789158 GMJRBAAWGYAQFE-UHFFFAOYSA-N 331.799 4.370 0 40 EIAB Nc1c(-c2nc(-c3cccs3)cs2)cnn1-c1ccc(F)cc1 6938077 NPQLLDAVTJDKJF-UHFFFAOYSA-N 342.424 4.446 0 40 EIAB O=C(CSc1ccccn1)Nc1ccc(N2CCCCCC2)cc1 8213118 MWHGOMFRKQJPDT-UHFFFAOYSA-N 341.480 4.193 0 40 EIAB COc1cc(NC(=O)c2ccc3ccccc3n2)c(OC)cc1Cl 8313645 VDAHPIZUUVQKCV-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB CCOC(=O)/C(=C\c1cc2c(cc1Cl)OCO2)c1ccccc1 8613509 QQXLTUCDCKEZFU-ZSOIEALJSA-N 330.767 4.172 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 10332809 ZHQVGJMVZWNNAE-MRXNPFEDSA-N 338.451 4.095 0 40 EIAB CCCCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 11914173 TWBZGDLYOAMJQZ-UHFFFAOYSA-N 343.408 4.229 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@H](C)Sc1cc(C)nc(C)n1 12016746 YIUHPLFJVLUTAB-ZDUSSCGKSA-N 329.469 4.084 0 40 EIAB COc1cccc(CN2Cc3cc4ccc(C)cc4nc3OC2=O)c1 12236786 VMQNIDKXOWJGJR-UHFFFAOYSA-N 334.375 4.066 0 40 EIAB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccccc1 12531981 LFMKJIUYDSOLAI-HNNXBMFYSA-N 337.448 4.051 0 40 EIAB Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2C(C)(C)C)c1 12771428 IYTWVGIYWJWZKC-UHFFFAOYSA-N 338.451 4.051 0 40 EIAB Cc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 12808168 MMHVCGRQWMNDCI-CQSZACIVSA-N 339.464 4.236 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)c1sccc1-n1cccc1 12821371 NZHOKAOHRBMMDX-UHFFFAOYSA-N 329.450 4.126 0 40 EIAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccccc1 13550624 JHOJZPYNFCXTFQ-XNTDXEJSSA-N 344.823 4.446 0 40 EIAB COc1cc(CNc2ncnc3c2[nH]c2ccc(C)cc23)cc(OC)c1 13865224 XTFJVIKRBYAAQP-UHFFFAOYSA-N 348.406 4.049 0 40 EIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 14219162 WCXWPNFKYIXRII-MRXNPFEDSA-N 331.481 4.214 0 40 EIAB O=C(c1cccc(OC(F)F)c1)n1cccc/c1=N\C1CCCCC1 14903703 TXQQIUJIPSSXEY-OQKWZONESA-N 346.377 4.011 0 40 EIAB Cc1cccc(OCCCNC(=O)c2cc3ccccc3s2)c1 16278352 XKJUGTKJQMTCSM-UHFFFAOYSA-N 325.433 4.409 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1c(C)nn(CC(C)C)c1Cl 17963402 FOJPLXZFJGZFHJ-CYBMUJFWSA-N 333.863 4.300 0 40 EIAB Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 19736429 KPGLNABKFAYUKV-CQSZACIVSA-N 326.440 4.281 0 40 EIAB CC(=O)Nc1ccc(SCc2nc(-c3ccccc3C)no2)cc1 21371610 ZUURAXKVWALMJQ-UHFFFAOYSA-N 339.420 4.296 0 40 EIAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(C)cc1 21787167 DFLWHGWLIZWFLG-HXUWFJFHSA-N 347.462 4.467 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(C)=O)c1 22523200 CGMNAHYWLIZLSF-MRXNPFEDSA-N 346.814 4.095 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N1CCc2[nH]c3ccccc3c2C1 25069511 JOCBOPSKVZGGNE-UHFFFAOYSA-N 343.386 4.021 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)OCc1ccc(Cl)nc1 26934559 JNRRMCVQFZTTFI-UHFFFAOYSA-N 342.782 4.066 0 40 EIAB Cc1cccnc1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 27651277 SKVBLIGPMXTQLI-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB Cc1noc(C)c1CSc1ccccc1C(=O)NC1CCCC1 27774559 QPNPKEHTDAIKLH-UHFFFAOYSA-N 330.453 4.256 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 31903839 OWPVLYVOZVKXNW-NOZJJQNGSA-N 336.284 4.159 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccc(F)c2)no1 33167671 HLKNZTPUIGWAKT-UHFFFAOYSA-N 329.356 4.067 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2F)c1 36355106 SAAIBULSDAXQDG-HNNXBMFYSA-N 337.354 4.144 0 40 EIAB CC[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(OC)cc1 40012138 AEFWAZPKCOPZCO-KRWDZBQOSA-N 341.386 4.125 0 40 EIAB Cc1cccc2cc(CNCc3ccc4c(c3)OCO4)c(Cl)nc12 40088645 QKYPIVCAXFYFPX-UHFFFAOYSA-N 340.810 4.215 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H](c3cccc(O)c3)O2)C1 40450002 ISFDSEQAKHNOGE-APWZRJJASA-N 333.428 4.013 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1cccc(Cl)c1N(C)C 48275341 ZJDWKNKNZVTUBW-UHFFFAOYSA-N 332.831 4.040 0 40 EIAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 48287887 AJNWVANEWDYGDZ-XHDPSFHLSA-N 326.371 4.296 0 40 EIAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2cccnc2)C1 49548802 FOTAILYGUFGQND-AWEZNQCLSA-N 338.798 4.103 0 40 EIAB CC(C)OCc1cccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 58158477 BFGMBFMCRBKRJL-FQEVSTJZSA-N 338.451 4.043 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 59211008 IRRUNOXDWSREPO-LBPRGKRZSA-N 348.240 4.418 0 40 EIAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1sc2ccccc2c1Cl 71843161 IXLHSRJQJJHWTA-OLZOCXBDSA-N 345.855 4.275 0 40 EIAB CO[C@H](C)c1nc(C[S@](=O)Cc2cccc3ccccc23)cs1 78987590 JGAZZQMAERCXLH-ZLOXQWCVSA-N 345.489 4.453 0 40 EIAB C[S@@](=O)c1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 80133665 JLDYSJZXIMBMHD-MYYSRTQBSA-N 346.452 4.166 0 40 EIAB Cc1ccc(CN(C)C(=O)Nc2ccc(Br)c(C)n2)cc1 95943834 ACNSJPNIDXUZKE-UHFFFAOYSA-N 348.244 4.125 0 40 EIAB CC(C)c1cnc(-c2ccc(NC(=O)N3CCOCC[C@H]3C)cc2)o1 95984797 FQODKCUQJBRPAB-CQSZACIVSA-N 343.427 4.108 0 40 EIAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC1CCCCCCCCCCC1 100928367 MABQZFKFWMHSOX-DKKFBQAASA-N 347.499 4.299 0 40 EIAB O=C(O)[C@@H]1[C@@H](C(=O)NC2CCCCCCCCCCC2)[C@H]2C=C[C@H]1C2 100928368 MABQZFKFWMHSOX-CAMMJAKZSA-N 347.499 4.299 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc2cc[nH]c2c1 206946255 YSQFIXCLZLNZFP-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1 222812052 YUZCJBMSUCFAFU-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB COc1ccc(/C=C/C(=O)NC(C)(C)CC(C)(C)C)c(OC)c1OC 223450681 XNCGCBZHUJYUQG-ZRDIBKRKSA-N 349.471 4.057 0 40 EIAB Cc1ccccc1OCCNC(=O)CCc1cccc2ccccc12 224939586 XBAVIJKJLWTGCO-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB Cc1ccc(CNC(=S)Nc2nccc(-c3cccs3)n2)cc1 225184903 QTLJSVRYOSNCBB-UHFFFAOYSA-N 340.477 4.000 0 40 EIAB COc1ccc(NC(=S)NCCSCc2ccccc2C)cc1 225360358 NAVYQQZLVBCBSB-UHFFFAOYSA-N 346.521 4.223 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1F 225394133 NNJITLMLHOTTFI-MRXNPFEDSA-N 343.398 4.175 0 40 EIAB COc1ccc(CCCNC(=S)Nc2cc(C)ccc2C)cc1 225555529 KZFHUWIBDIHMHC-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(F)c2)cc1C 225790138 KACUKJLCDZGPRO-AWEZNQCLSA-N 332.444 4.196 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(C)cc1N 226349736 HMYTVCWJMKCZKA-UHFFFAOYSA-N 339.222 4.453 0 40 EIAB O=C(Nc1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751237 KDZJHLHLACXQTQ-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB Oc1cccc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 543690550 VLVNJQAUWLYBRF-UHFFFAOYSA-N 340.423 4.498 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 575444547 ZCDPBUSYYQJXGD-DYVFJYSZSA-N 328.460 4.282 0 40 EIAB O=C(CCc1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 675007848 VCDDMAQEIAIWRI-KRWDZBQOSA-N 325.433 4.222 0 40 EIAB Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(-c2ocnc2C)o1 1616017691 NWFAPDXRUBCQIC-LLVKDONJSA-N 333.775 4.443 0 40 EIAB O=C1O[C@@]2(CCCN(C3CCCC3)CC2)CN1c1ccc(Cl)cc1 2037838743 ZIDGJRMNMCGACM-LJQANCHMSA-N 348.874 4.464 0 40 EIAB CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccco1 3645 HUPJQAHXMFEKJY-UHFFFAOYSA-N 331.755 4.361 0 40 EIAB CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1cccs1 129188 WGTBUEHVLZQJPX-UHFFFAOYSA-N 330.796 4.021 0 40 EIAB C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(C(=O)O)cc4)c23)C1 144688 WLHCLBCOEGXXQF-SNVBAGLBSA-N 339.420 4.258 0 40 EIAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C(C)(C)C)C2 483152 BDSWZNQFCZRKSB-GFCCVEGCSA-N 349.496 4.424 0 40 EIAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2CCCC[C@H]2C)CCCC1 571509 NMVJJEDURJILIY-QZTJIDSGSA-N 340.511 4.064 0 40 EIAB Cc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1ccco1 882236 KRFSUVYUSVOIMN-UHFFFAOYSA-N 334.375 4.022 0 40 EIAB COc1ccccc1CN(C(C)=O)c1ccncc1Oc1ccccc1 1487794 HMBJGTABYAGXHW-UHFFFAOYSA-N 348.402 4.436 0 40 EIAB CCCCOc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 2089352 PUOTVTZIULWAPR-QGOAFFKASA-N 339.366 4.349 0 40 EIAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 2399299 LSTZACRXYJCYDJ-NTKDMRAZSA-N 347.395 4.164 0 40 EIAB O=C(COC(=O)c1cccc(F)c1)c1ccc2c(c1)-c1ccccc1C2 3322663 QJXOEIIDHPZSJB-UHFFFAOYSA-N 346.357 4.437 0 40 EIAB Cc1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 4979523 JRMVFTGZEWUNJF-KVSKMBFKSA-N 346.467 4.464 0 40 EIAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)CC(C)(C)C 5137053 TWFURNRLDPJWFQ-UHFFFAOYSA-N 334.460 4.353 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 6328769 INMXWHVUMXHXGA-UHFFFAOYSA-N 347.770 4.051 0 40 EIAB CCc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 6434046 MKZXITYGRBPLMV-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2)n1 6810460 KYCNGDFWZRMRNK-UHFFFAOYSA-N 329.208 4.115 0 40 EIAB Cc1c(O)ccc2c(CSc3ccc(F)c(F)c3)cc(=O)oc12 7927592 MQBNTNQTJLKNMS-UHFFFAOYSA-N 334.343 4.378 0 40 EIAB CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349315 CEKITHKVTUOQTJ-MRXNPFEDSA-N 348.450 4.224 0 40 EIAB c1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)co2)cc1 9499859 OHAKGQCZFITMOA-UHFFFAOYSA-N 325.349 4.277 0 40 EIAB COc1ccc2cc(CNc3cc(Cl)ccc3Cl)c(=O)[nH]c2c1 12493348 AFHCYAWNHANCOI-UHFFFAOYSA-N 349.217 4.456 0 40 EIAB Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N2CCCC2)c1 12782214 UASGSKCAXINGKU-YLJYHZDGSA-N 337.467 4.342 0 40 EIAB CSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1 13038972 GCCSVEOZXYVFCQ-UHFFFAOYSA-N 334.872 4.132 0 40 EIAB C=Cn1cc(CN(Cc2ccc(CC)cc2)Cc2cccnc2)c(C)n1 13569110 QAUWYHSHBGJZBW-UHFFFAOYSA-N 346.478 4.452 0 40 EIAB COc1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 13654094 HYCVTKRWFIRFCX-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)c(Cl)c1 14136835 QLAFECYETZDXEZ-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB Cc1ccccc1[C@H](C)N[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14138893 CAGLAWAIGCWEGX-STQMWFEESA-N 341.480 4.322 0 40 EIAB Cc1nn(CN(C)Cc2ccc(C(C)(C)C)cc2)c(=S)n1C1CC1 14198049 CJZXZPABIBBAKH-UHFFFAOYSA-N 344.528 4.444 0 40 EIAB COc1cccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 14240725 KGLQGBQIPVNVSI-UHFFFAOYSA-N 347.414 4.455 0 40 EIAB CCOc1ccc(OCCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 15561766 VVJPARSEONYGIB-AWEZNQCLSA-N 347.842 4.385 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 20495329 ZUASIRYLTMTPJD-BEFAXECRSA-N 329.415 4.477 0 40 EIAB O=c1[nH]c2ccc(-c3csc(Nc4ccc(F)cc4F)n3)cc2[nH]1 25060176 ZGYKHXSQDACNGP-UHFFFAOYSA-N 344.346 4.002 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3cccnc3)o2)cc1C 28006640 NLYWXGKXUPAUFE-MRXNPFEDSA-N 349.434 4.163 0 40 EIAB CN1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 30028997 DIYWWBNBXYNLAM-KRWDZBQOSA-N 349.261 4.122 0 40 EIAB CC(C)C(=O)Nc1ccc(C(=O)CSc2ncccc2Cl)cc1 32789330 QILFUDLIKYBFHY-UHFFFAOYSA-N 348.855 4.305 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 32902443 LMCRTRVSVWSGAZ-QGZVFWFLSA-N 348.849 4.292 0 40 EIAB CC(C)(C)c1noc(CSc2nccn2-c2cccc(Cl)c2)n1 32908880 ILCGVRCNHXUXRR-UHFFFAOYSA-N 348.859 4.499 0 40 EIAB CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Oc2ccccc2)cc1 32960823 USEVFGBXFDSJRU-DOTOQJQBSA-N 325.408 4.118 0 40 EIAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(F)c1 40121703 WWWLIVORFXEXIM-IAQYHMDHSA-N 328.815 4.196 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nccs2)cc1 42652195 IDSYYCBOJBMACL-HNNXBMFYSA-N 331.441 4.301 0 40 EIAB CC[C@H](C)c1ccc(OCC2CCNCC2)c(Br)c1 42774601 RQPCNPIJJYHKGA-LBPRGKRZSA-N 326.278 4.341 0 40 EIAB COCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl 55849078 CUFAGXKJSBZLIG-UHFFFAOYSA-N 339.222 4.190 0 40 EIAB O=C(Nc1cccc(N2CCCCC2)c1)Nc1nnc(C2CC2)s1 56501871 LURVFANARVCIIR-UHFFFAOYSA-N 343.456 4.050 0 40 EIAB Cc1ccc(OCCN(Cc2ccc(O)cc2)Cc2ccco2)cc1 58392957 VOMJEDCFCLYDIZ-UHFFFAOYSA-N 337.419 4.375 0 40 EIAB CSc1nnc(CN(Cc2ccccc2)Cc2ccccc2)s1 60061720 LJVRLPUHEVLGKH-UHFFFAOYSA-N 341.505 4.462 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 65438865 QALKZAUFFGGZLT-UHFFFAOYSA-N 345.296 4.113 0 40 EIAB Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Cl)n1 72422440 JDNIQXXQSLOYEP-UHFFFAOYSA-N 327.602 4.393 0 40 EIAB CC(C)CO[C@@H](C)c1noc(CN2CCC(c3ccccc3)CC2)n1 74980943 SBBNZGZOPZDZIW-INIZCTEOSA-N 343.471 4.183 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 75106628 UBTPKXWOYIAHBL-LSDHHAIUSA-N 335.856 4.130 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(C)cc2C)cc1OC 77495923 JPLBRIUWLUFJKT-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB Cc1c(-c2csc(CN3CCOCC3)n2)sc2ccccc12 78594718 QCXBEULBTWAWDX-UHFFFAOYSA-N 330.478 4.165 0 40 EIAB CS[C@H](CNC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 95957617 MWAPJJARYYFAFD-CYBMUJFWSA-N 339.848 4.171 0 40 EIAB O=[S@](Cc1ccc(F)cc1)Cc1csc(Br)c1 96404288 XLDKFKMCYULJTD-KRWDZBQOSA-N 333.247 4.099 0 40 EIAB Cc1cccc(N(CC(F)(F)F)C(=O)c2cncc(F)c2)c1C 97014626 LTTRRCYDGLQWIS-UHFFFAOYSA-N 326.293 4.047 0 40 EIAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 100425181 GHTIMUJOQBTQAR-VXKWHMMOSA-N 348.490 4.311 0 40 EIAB Cn1/c(=N/C(=O)c2cccs2)sc2cc(Cl)cc(Cl)c21 100823856 CHGRBQYNGHDGAX-SSZFMOIBSA-N 343.260 4.349 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C2 105363730 GHWUZZCCPXLMSI-CJDIZJCSSA-N 328.500 4.135 0 40 EIAB Cc1ccc(-c2n[nH]cc2CNCc2nc(C(C)(C)C)cs2)o1 105498564 XQPWZCUVKZEQNS-UHFFFAOYSA-N 330.457 4.022 0 40 EIAB CCOc1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cn1 206875200 CCCZBENBKHMJEO-QGZVFWFLSA-N 342.414 4.029 0 40 EIAB CCCCc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 222640365 IPTZZKCMCHGBOY-UHFFFAOYSA-N 339.435 4.372 0 40 EIAB COc1cccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 222790341 MBEQRPXZJZYALE-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB COc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1Cl 223048299 LSXIZNVXYISSNX-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223538662 AHKOUJFSPLJTIG-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)c1 224289815 ASURFSYUDFBKBN-RBUKOAKNSA-N 348.475 4.204 0 40 EIAB CCN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937571 SWIJSCVUCURQOW-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225118593 DCESVNGZGVLYNA-FQEVSTJZSA-N 336.387 4.232 0 40 EIAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 225324392 RWTSPZYXUMLSPQ-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB S=C(Nc1ccccc1Cl)NC1(c2ccccn2)CCCC1 225844113 VUBGBOIFGCURPW-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB Cc1cnc(-c2cc([C@H]3CCCN3C(=O)C(C)(C)C)ccn2)s1 257322805 WHLMICWZRCJCGA-OAHLLOKOSA-N 329.469 4.223 0 40 EIAB CCOc1ccc(NC(=O)CCCc2ccc(OC)c(C)c2)cc1 408908538 FQSMOCNYWQJSRS-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB Cc1ccccc1OCC(=O)NCc1ccc(-c2cccs2)o1 575608338 JSXTUDDQUDOVNG-UHFFFAOYSA-N 327.405 4.012 0 40 EIAB COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccco3)C[C@H]21 221388 MRXPNSQWHZIUDF-MRXNPFEDSA-N 338.407 4.492 0 40 EIAB O=C1/C(=C/c2ccccc2)N=C(NC2CCCCC2)N1c1ccccc1 2179738 NEAXEEKNHDEZHM-SILNSSARSA-N 345.446 4.353 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 2512689 JXNGPXDPXIMAJF-UHFFFAOYSA-N 337.419 4.314 0 40 EIAB Fc1ccccc1NC(=S)NCC1(N2CCCCC2)CCCCC1 3333436 QCDBIYWBZYECRN-UHFFFAOYSA-N 349.519 4.301 0 40 EIAB O=C(CSc1ccccc1)NCc1cccc(C(F)(F)F)c1 3364960 DISPEZOBNDLUIJ-UHFFFAOYSA-N 325.355 4.114 0 40 EIAB C[C@H](NC(=O)c1ccccc1NC(=O)C1CCCC1)c1ccccc1 3458348 GCWWWKITYCFRIF-HNNXBMFYSA-N 336.435 4.306 0 40 EIAB Cn1cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21 4060471 TUFJYPXIGFKXJQ-UHFFFAOYSA-N 332.375 4.187 0 40 EIAB O=C(COC(=O)c1cc2ccccc2o1)Nc1ccc2ccccc2c1 4332541 IXLMZTOYJSNTBZ-UHFFFAOYSA-N 345.354 4.382 0 40 EIAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(C)C 7360520 FQDULTZCLQTKHT-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB O=c1oc2cc(Cl)ccc2n1Cc1csc(-c2ccsc2)n1 7867148 LVRBFAJONDYREC-UHFFFAOYSA-N 348.836 4.481 0 40 EIAB CC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 7989832 SNZXOPRQGMCYPL-SNVBAGLBSA-N 347.823 4.421 0 40 EIAB CCc1nc2ccccc2c(C)c1C(=O)NCc1ccc(OC)cc1 8060863 UBBDWCNPEIZUEH-UHFFFAOYSA-N 334.419 4.044 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 10456722 IXNKTCMUWJWAOV-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB O=C(COc1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1 10810875 NYTKNCCMHDUPGR-UHFFFAOYSA-N 341.794 4.295 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N[C@H](C)CC)c2ccccc12 11614048 MNZFYHHPWUYCAJ-CQSZACIVSA-N 335.469 4.096 0 40 EIAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)cc(C3CC3)nc21 12871016 HFQAGWHUOPQXLV-UHFFFAOYSA-N 338.386 4.281 0 40 EIAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 13408803 LLKXAWZFTUNUTQ-RBZZARIASA-N 336.516 4.379 0 40 EIAB biogenic Cc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495060 JSQTVCNINBHOHJ-UHFFFAOYSA-N 349.434 4.273 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 15309183 FSPNVLIHSQZYFZ-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB Cc1nc(N2[C@@H](C)CCC[C@@H]2C)nc2c1C(=O)C[C@@H](c1ccco1)C2 20673015 UKJNCXUBFUMRBM-YDHLFZDLSA-N 339.439 4.058 0 40 EIAB Cc1ccc(Cn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 20799232 KLAPCNKCPYJQPS-UHFFFAOYSA-N 326.399 4.420 0 40 EIAB Cc1ccc2[nH]c(S[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)nc2c1 21345996 NDZXEAVXECABOO-MCIONIFRSA-N 331.485 4.047 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2ccc(Cl)c(Cl)c2)no1 22120770 UBWUJICKSTZNJD-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CSCc2ccccc2F)cc1 24064930 YRGQJWJRDAJYAR-AWEZNQCLSA-N 331.456 4.499 0 40 EIAB COc1cc(C(=O)Nc2cnc3ccccc3c2)cc(Cl)c1OC 25532301 IEYWKAKFSOYFNJ-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB Cc1cc(C)c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 26226740 YVZDDPPGHPCQQP-LJQANCHMSA-N 339.435 4.422 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 28539706 QRDROWRHWYFWNS-UHFFFAOYSA-N 348.450 4.345 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccnn3Cc3ccco3)oc2c1 32593416 WDVKFTLXWROFNU-UHFFFAOYSA-N 349.390 4.448 0 40 EIAB COc1cccc(CC(=O)Nc2ccc(Cl)c3cccnc23)c1 32906626 PEMYXNNCGFJFMN-UHFFFAOYSA-N 326.783 4.078 0 40 EIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)s1 33023433 RAHQQVSVPKPCFN-UHFFFAOYSA-N 340.920 4.320 0 40 EIAB CCOc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1OC 33476404 QLYDMOPTKUIJPP-ZROIWOOFSA-N 329.783 4.240 0 40 EIAB Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCC3)nc12 36676047 KRICFEVAFFYQQY-UHFFFAOYSA-N 337.448 4.333 0 40 EIAB COc1cc2c(cc1Br)CCN(C)C[C@H]2c1ccccc1 39342378 TVPROERJSGRCGZ-INIZCTEOSA-N 346.268 4.078 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2ccccc2)C1 40268270 LZGLDJCNALUDNY-HNNXBMFYSA-N 325.318 4.274 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCSc3ccccc32)on1 43167639 YGXOYZALZBINNP-CABCVRRESA-N 343.452 4.067 0 40 EIAB Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccccc3C)co2)cc1 45280720 NHMTZLZLSUEMBZ-UHFFFAOYSA-N 341.432 4.073 0 40 EIAB O=C(CC(C1CC1)C1CC1)Nc1cccc(-n2cc[nH]c2=S)c1 65215445 LVFYIHMLISVLDP-UHFFFAOYSA-N 327.453 4.300 0 40 EIAB O=C(Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1)C1CC1 66352009 SXLCCHHKFISSGK-UHFFFAOYSA-N 340.235 4.283 0 40 EIAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(SC(F)F)c1 66554678 LBCIPPUDFCGNJH-CQSZACIVSA-N 349.358 4.242 0 40 EIAB Cc1noc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 69419825 AJYVXQGNTHQWPN-GFCCVEGCSA-N 338.367 4.053 0 40 EIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cccc2cccnc12 69667581 KAZGKXSCCUPWIM-UHFFFAOYSA-N 346.411 4.097 0 40 EIAB CC(C)c1cccc(NC(=S)Nc2ccc(S(C)(=O)=O)cc2)c1 71326253 WAIOSAWDJLZNSA-UHFFFAOYSA-N 348.493 4.022 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N(C)Cc3ccncc3)cc2)n1 71854016 WBAWLPMXDPIWKE-UHFFFAOYSA-N 338.436 4.177 0 40 EIAB Cc1cc(CC(=O)N2CCCC[C@@H]2c2nc(C(C)(C)C)cs2)no1 72298590 KNWACMQKHBFTHB-CQSZACIVSA-N 347.484 4.033 0 40 EIAB O=C(c1coc(Br)c1)N(CC1CCCCC1)C1CC1 79156101 QRQSXMWJUKDGIM-UHFFFAOYSA-N 326.234 4.227 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2nsc3ccccc23)C1 91364527 QLKARYPHIBRFSA-LBPRGKRZSA-N 333.457 4.108 0 40 EIAB CC(C)n1cc([C@H](C)NC[C@H]2CCCN(Cc3cccs3)C2)cn1 95421354 OQAGHVNAUXWCNE-DLBZAZTESA-N 346.544 4.088 0 40 EIAB C[C@H]1CCCCCN1C(=O)CCCCC(=O)N1CCCCC[C@@H]1C 95959727 JBPNRYYRNSOQNA-ROUUACIJSA-N 336.520 4.129 0 40 EIAB CCO[C@@H](C)c1nc(C(=O)N2CC[C@H](c3ccccc3C)C2)cs1 96416439 IYCADFIYQKBQHT-GJZGRUSLSA-N 344.480 4.179 0 40 EIAB C[C@H]1C(=O)Nc2ccc(-c3csc(NCc4ccccc4)n3)cc21 100487392 HGNPCAYWBJLPTB-GFCCVEGCSA-N 335.432 4.478 0 40 EIAB C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 102202702 GCLRGSOQPXHGPU-BLTAXRJOSA-N 345.826 4.001 0 40 EIAB CCN(C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 102395946 UXWBZOSDJIYNIY-BEFAXECRSA-N 339.907 4.433 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1OCC 216401656 CRYQWCWQDPYAEX-UHFFFAOYSA-N 349.377 4.334 0 40 EIAB O=C(CSC1CCCC1)N1CCS[C@H](c2cccs2)CC1 219460806 ORNZSFOXNBTNGY-HNNXBMFYSA-N 341.567 4.431 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222950576 GUXBOWKRRCAFTK-MRXNPFEDSA-N 343.492 4.054 0 40 EIAB CCc1ccc(CC(=O)NCCSCc2cccc(Cl)c2)cc1 223743272 XRHJBMXRFCFBPC-UHFFFAOYSA-N 347.911 4.495 0 40 EIAB Cc1ccc(C)c(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224283666 CYOCLHQPVVUXIW-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C(C)(C)C)cc1 225592762 NNRZUYFQDYTGLL-INIZCTEOSA-N 332.488 4.315 0 40 EIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@H](C(=O)O)C3 253389033 HITLMPHPGUZLGI-BYLXVPAASA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro Cc1ccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 301192920 BGBBCYCSHFZHSX-SFHVURJKSA-N 337.463 4.244 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1cccc(Cl)c1)c1ccccc1 408981221 VJDJVSRGTRWBDO-MRXNPFEDSA-N 346.814 4.156 0 40 EIAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1F 424014 MWNIXVPHLMJYIU-HNNXBMFYSA-N 325.767 4.397 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C)c1C 503610 YMCXKBIIMBYUKU-UHFFFAOYSA-N 337.828 4.447 0 40 EIAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)cc1 523915 OXMDMUBCWQOGHL-LBPRGKRZSA-N 349.456 4.256 0 40 EIAB COc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)SC2=S)cc1 1147301 HNFUEEQUOGWBPR-ZROIWOOFSA-N 347.486 4.471 0 40 EIAB O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1c1nccs1 1438818 XKCPCVSOGFTJJI-LLVKDONJSA-N 331.249 4.229 0 40 EIAB Cc1ccc(OC(=O)CCC(=O)Oc2ccc(C)cc2C)c(C)c1 1758780 SMKYTFIJWCVBOG-UHFFFAOYSA-N 326.392 4.211 0 40 EIAB Cc1cc(OCCCC(=O)Nc2ccc3c(c2)OCO3)ccc1Cl 1787173 BHAKOBSBSZMZNH-UHFFFAOYSA-N 347.798 4.175 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OC 1934633 GQEMXNKCKLYYMI-XYOKQWHBSA-N 325.408 4.444 0 40 EIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 2499145 FHQCHFPLLBVKLE-AWEZNQCLSA-N 343.398 4.332 0 40 EIAB COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1 2745778 YAOZKRLMVDZQLH-UHFFFAOYSA-N 329.350 4.459 0 40 EIAB O=C(CSc1ncnc2ccccc12)c1ccc(OC(F)F)cc1 3333324 CPIOYGWQPDHXPP-UHFFFAOYSA-N 346.358 4.206 0 40 EIAB CCc1cccc(C)c1NC(=O)CSc1ncnc2ccccc12 3393856 DSEUHYMSQDOHKN-UHFFFAOYSA-N 337.448 4.231 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3428463 RUFJTGBERFBNPP-QFIPXVFZSA-N 344.458 4.386 0 40 EIAB COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3OC)coc2c1 3549879 CBFMYONASATLPU-UHFFFAOYSA-N 345.782 4.285 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 4081340 OQHMNEGOKQMOFM-UJPCIWJBSA-N 332.484 4.242 0 40 EIAB biogenic CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1C 4995231 FBOSUGFPAUBSKV-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB c1csc(-c2n[nH]c(SCc3nc4ccccc4s3)n2)c1 5017189 BPNIPRQWCLCRCK-UHFFFAOYSA-N 330.463 4.435 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 6249384 GRBWQQVCQNNQLS-VIFPVBQESA-N 330.236 4.139 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(C)cc1Br 6595131 GOPNJMXYIWUFGP-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB c1cc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cs1 7642047 VEBKMGSSUHQTES-UHFFFAOYSA-N 348.522 4.482 0 40 EIAB C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(CO)c4)c23)C1 7981423 VXCGIKZTNKUAIO-LLVKDONJSA-N 325.437 4.052 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2)cc1C 8041150 AAQAMARIQNGAQC-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CC(C)(C)C1CCC(C(=O)NCCc2nc3ccccc3[nH]2)CC1 9745352 CFASEOTXQLWPDH-UHFFFAOYSA-N 327.472 4.074 0 40 EIAB CC(C)CC(=O)Nc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 9875352 ZWFGSYDKRPTWHR-UHFFFAOYSA-N 343.452 4.143 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10971709 PRGQCCATJHUWTI-ZANVPECISA-N 340.370 4.347 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12 12291791 JHZGPEOTUDSQBY-UHFFFAOYSA-N 347.480 4.193 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Cl 12945902 ISMYBASUSAXLMA-LBPRGKRZSA-N 349.839 4.468 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1 12974738 ZQONFTVDFZSXDM-CQSZACIVSA-N 336.391 4.040 0 40 EIAB Cc1ccc(F)c(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 12984622 UZCWVGCWVOQDHO-UHFFFAOYSA-N 341.361 4.328 0 40 EIAB CCOCCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687696 STZYPZJJQMOPSF-UHFFFAOYSA-N 347.842 4.075 0 40 EIAB Fc1ccc(-c2nnc3sc(-c4ccccc4F)nn23)cc1Cl 13691342 RTZWEJFYJKWOEF-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(Cl)c1 14186103 HHLLDBGCHMEIQZ-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB Cc1nc(SCc2ccc(C(N)=O)cc2)c2c(C)c(C)sc2n1 14197033 ACWZGANJGLHBOF-UHFFFAOYSA-N 343.477 4.008 0 40 EIAB CCCn1c(SCc2ccc(OC)cc2)nc2ccccc2c1=O 14705709 JJNUPTKVPOMKAD-UHFFFAOYSA-N 340.448 4.107 0 40 EIAB c1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1 19654577 SYMLXZYNQAQESD-UHFFFAOYSA-N 341.503 4.128 0 40 EIAB Cc1ccc(-c2c(C)sc3[nH]c(-c4ccccn4)nc(=O)c23)cc1 20369442 HZIPTCGNWCHJOW-UHFFFAOYSA-N 333.416 4.330 0 40 EIAB CSc1ncc(C(=O)N2CCCc3ccccc32)n1-c1ccccc1 23258490 XQAYVNSSHWTZHQ-UHFFFAOYSA-N 349.459 4.187 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@@H](c2ccccc2)C1 27898548 XFHNNONLDUXODF-OAQYLSRUSA-N 348.446 4.091 0 40 EIAB C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(-n2cccc2)cc1 28304018 DFJCCLOIVUTBTR-ZDUSSCGKSA-N 326.346 4.247 0 40 EIAB Cc1ccc2cc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)[nH]c2c1 31270552 TVPLLXMCLHFKJI-OAQYLSRUSA-N 348.446 4.062 0 40 EIAB O=C(Nc1cccs1)N1CCC(c2nc3ccccc3[nH]2)CC1 36709074 BBMBQWPEIVCAQJ-UHFFFAOYSA-N 326.425 4.036 0 40 EIAB COc1ccc(F)cc1-c1csc(NC(=O)C[C@H]2C=CCC2)n1 40111331 NXDZELCIUHBNES-NSHDSACASA-N 332.400 4.253 0 40 EIAB Cc1csc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)n1 56853389 OYOAZBXTOYWBME-JTQLQIEISA-N 343.374 4.031 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4ccc(C)cc4o3)nc12 57352679 FIQXOBLFTLLJJI-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB O=C(Nc1ccccc1)N(CCc1ccccc1)Cc1ccncc1 58180752 XAPJVGNAHHBWBM-UHFFFAOYSA-N 331.419 4.358 0 40 EIAB COc1c(CN[C@@H](C)c2cc3ccccc3o2)c(C(C)C)nn1C 58392180 MHJSINZVTIVHKP-ZDUSSCGKSA-N 327.428 4.149 0 40 EIAB CC[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 69415037 RXHCULWVVUVYDA-OAHLLOKOSA-N 347.484 4.206 0 40 EIAB Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cnn(C)c1C 69517610 IVVBHYHHAGEFHJ-MRXNPFEDSA-N 349.434 4.429 0 40 EIAB CN(C(=O)C[C@H]1OCCc2ccsc21)c1nc2ccccc2s1 69654216 BXKJLARNNBTADQ-CYBMUJFWSA-N 344.461 4.025 0 40 EIAB Cc1ccc(C)c2c(C)c(C(=O)N[C@@H](CC(C)C)CN(C)C)oc12 72026500 AYMKEAVRSGMEKX-INIZCTEOSA-N 330.472 4.064 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)s1 72405725 GSTBXDDLWGZOKT-UHFFFAOYSA-N 328.441 4.022 0 40 EIAB CCn1cc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cn1 81279687 HYHCCBAXWVONJY-INIZCTEOSA-N 333.435 4.403 0 40 EIAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)/C=C/c1cc2ccccc2o1 84637039 VCDAQUJHYPTKKJ-BSODZPPDSA-N 335.403 4.074 0 40 EIAB Cc1cccc2sc(NC(=O)c3cnc([C@H]4CCCO4)s3)nc12 89642818 DEKNKPPJVUMCAO-SNVBAGLBSA-N 345.449 4.165 0 40 EIAB Cc1ccc(O)c(CNc2cccc(CSC3CCOCC3)c2)n1 95429215 VAUYTHUIBLZNDQ-UHFFFAOYSA-N 344.480 4.120 0 40 EIAB Cc1nc(NCC(C)C)sc1C(=O)Nc1cccc2[nH]ccc12 95476616 RTVAPVQMVXDUHU-UHFFFAOYSA-N 328.441 4.253 0 40 EIAB Cn1c(C(=O)N2CCCCC2)cc2c1c1ccccc1n2CC1CC1 96146499 GMJFXLJOMSBQQQ-UHFFFAOYSA-N 335.451 4.169 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 96415163 JYCLMSDMTJJAPA-SJCJKPOMSA-N 333.382 4.214 0 40 EIAB COC(=O)c1cc(SCc2nccn2C(F)F)ccc1Cl 96460993 JKNNEAWINVDKQE-UHFFFAOYSA-N 332.759 4.011 0 40 EIAB CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102685241 IIHSJYXOMFIPQS-YPKPFQOOSA-N 332.403 4.454 0 40 EIAB Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 106371180 WAJXGFXRCCNAGE-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCc2cccc(OC(C)C)c2)c1 218967126 KMRJUYGMQGREFY-UHFFFAOYSA-N 341.451 4.094 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)cc3)N21 222641036 YJUBCOGPGQIXLE-ZTFGCOKTSA-N 339.464 4.070 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(OC)c1 223084600 XOHFUBCVWKSYSN-FQEVSTJZSA-N 339.435 4.370 0 40 EIAB Cc1ccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225084961 BPKNCVVLJLLUOX-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Sc1ccccc1 225094952 ODCDRZXBQGPXFL-AWEZNQCLSA-N 326.339 4.493 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1ccc(Cl)cc1 225310084 WYKXWIFNZDLPOA-IBGZPJMESA-N 343.854 4.475 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1c(F)cccc1F 225703969 PUOYQEHTWBNSHG-INIZCTEOSA-N 348.418 4.337 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 225710395 RAFQXJPJPKSUPT-MRXNPFEDSA-N 342.464 4.470 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cc2cccc(Cl)c2oc1=O 226038992 BGFMLNWVDSOOGV-UHFFFAOYSA-N 348.185 4.030 0 40 EIAB COc1cccc(Cc2cnc([C@@H]3CCN(Cc4ccccc4)C3)o2)c1 257209403 BQEXHEUDIFLNQJ-LJQANCHMSA-N 348.446 4.264 0 40 EIAB CCCCC[C@H](O)/C=C\[C@H]1[C@@H]2C[C@H](O2)[C@@H]1C/C=C/CCCC(=O)O 299888686 TVXGQRHTUVWFOW-ZFLLEIRUSA-N 336.472 4.089 0 40 EIAB CCOc1ccc(CNC(=O)c2ccccc2SC)cc1OCC 408678054 DUUJZCXPSBQPJM-UHFFFAOYSA-N 345.464 4.136 0 40 EIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1 408773915 TZEOIDACAWCYCG-TYXWBZFASA-N 336.460 4.405 0 40 EIAB COc1ccc(-c2cnn(-c3ccccn3)c2)cc1COC1CCC1 530251598 UBYKFCFJSRFMGM-UHFFFAOYSA-N 335.407 4.012 0 40 EIAB Cc1ncoc1CNC(=O)[C@H]1CCCC[C@@H]1c1cccc(Cl)c1 1614994789 ZWTDOEHMNQJGAF-CVEARBPZSA-N 332.831 4.227 0 40 EIAB CCOc1cc(-c2ccc(O)c(OC)c2)cc(=O)c2c(C)oc(C)c12 108368 NBLLKRJJLIALHC-UHFFFAOYSA-N 340.375 4.190 0 40 EIAB biogenic CCc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)s1 210396 PMCFPMUDAQRYGF-PTNGSMBKSA-N 334.510 4.043 0 40 EIAB Cc1ccccc1OCC(=O)Nc1nc2ccc(Cl)cc2s1 363607 NOFYPGABQDGMRG-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CCc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C)cc2c1 412476 XNLIESPVEILUBA-CQSZACIVSA-N 342.508 4.456 0 40 EIAB CCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 414198 PDUAHUOHBYYNHK-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB COc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 509224 GYKMMLVCLHGNNC-UHFFFAOYSA-N 336.387 4.178 0 40 EIAB biogenic O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1 800667 XYUJAUUXQUPEFW-UHFFFAOYSA-N 336.778 4.092 0 40 EIAB CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 2523967 PDWGXRVTBKXKKC-UHFFFAOYSA-N 346.253 4.419 0 40 EIAB O=C(/C=C/c1ccco1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3263152 OYPZZKKJWVZZGQ-QZMUEMGWSA-N 332.355 4.460 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccc(F)cc2s1 3371181 ZLTOOYLUXFNHKJ-UHFFFAOYSA-N 325.368 4.098 0 40 EIAB N=c1sc(C(=O)c2ccccc2)c2scc(-c3ccccc3)n12 4428612 WQPAZFJKVCTUCT-UHFFFAOYSA-N 336.441 4.440 0 40 EIAB O=C(CNc1ccc(C(F)(F)F)cc1)N1CCCc2ccccc21 4904179 JRBYANKLFAHTHV-UHFFFAOYSA-N 334.341 4.097 0 40 EIAB Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c1 5152759 YMHRZAKADKPVPC-FQEVSTJZSA-N 346.430 4.122 0 40 EIAB C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1ccc2ccccc2c1 5288130 OBVDQURZBILNQC-CYBMUJFWSA-N 344.505 4.281 0 40 EIAB Cc1cccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c1C 5307675 PPAJWCCXIQHWAY-UHFFFAOYSA-N 343.448 4.039 0 40 EIAB Cc1ccc(C)c(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 5317124 SCHOZDKBOZVPLX-UHFFFAOYSA-N 333.218 4.368 0 40 EIAB CCC[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2s1 5780478 XDOOCYLIGGHMIS-SECBINFHSA-N 328.890 4.347 0 40 EIAB COC(=O)c1ccccc1NC(=S)Nc1ccc(C(C)C)cc1 5944970 SQJSWUQUXWBKBP-UHFFFAOYSA-N 328.437 4.406 0 40 EIAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 7112578 GNLDITMDXSGTIR-LJQANCHMSA-N 334.375 4.055 0 40 EIAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C2CC2)c1 8132177 IFCGPACCVWYJHK-MRXNPFEDSA-N 345.446 4.376 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 8273173 LZUVQCPNAWPROY-NSHDSACASA-N 329.450 4.205 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCCCO3)o1 9390164 PNKPFNKUOVFWGX-AATRIKPKSA-N 333.771 4.055 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccccc1C)c1ccccc1Cl 11917295 JJJHCRARSUKCDM-LJQANCHMSA-N 344.886 4.461 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 15539877 CKWHVCRSKLIIJU-MRXNPFEDSA-N 340.423 4.342 0 40 EIAB O=C(Nc1ccccc1Cl)c1cc(=O)c2cc(Cl)ccc2o1 16753722 KFAAZQAZINBJTN-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB O=C1/C(=C/C=C\c2ccccc2)C(=S)SN1Cc1ccco1 17122123 JVVQNGKODHLDHJ-YLWCQUKYSA-N 327.430 4.237 0 40 EIAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1nccs1 17198259 DFAXPQRGEOEDJF-NSHDSACASA-N 331.249 4.229 0 40 EIAB O=C(O)CSc1ccc(NC(=O)c2cccc3ccccc23)cc1 18195150 CSOUYWYVTLNKSN-UHFFFAOYSA-N 337.400 4.269 0 40 EIAB Cc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 20034076 XEIAFCTWOSEEET-UHFFFAOYSA-N 330.413 4.018 0 40 EIAB O=C(O)c1ccccc1SCc1nc(-c2ccc(Cl)cc2)no1 20714538 JSCAVJDPYRXOGY-UHFFFAOYSA-N 346.795 4.381 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 21195782 PSHPRPXKYCLFFB-CYBMUJFWSA-N 347.842 4.383 0 40 EIAB COc1cccc2sc(NC(=O)c3ccc4ccccc4n3)nc12 24552147 OWOYUOSJQGCFPZ-UHFFFAOYSA-N 335.388 4.105 0 40 EIAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(F)c1 28305117 KPTPINDAQURHJU-UHFFFAOYSA-N 347.752 4.115 0 40 EIAB Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1Br 40302076 JIEIKDZSSPRLPN-UHFFFAOYSA-N 343.583 4.076 0 40 EIAB Cn1c([C@H]2CCN(Cc3cnc4ccccc4c3)C2)nc2ccccc21 49171154 DFPAGJZWBXUQEE-SFHVURJKSA-N 342.446 4.111 0 40 EIAB biogenic,in-vitro COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)c1 49548865 ZWJPPJUANSPEIS-KRWDZBQOSA-N 333.391 4.064 0 40 EIAB Cn1c(-c2cccc(NC(=O)COC3CCCC3)c2)nc2ccccc21 54235825 WFXGKIVQKKLXGU-UHFFFAOYSA-N 349.434 4.138 0 40 EIAB O=C(NCc1cc(-c2ccccc2)no1)C1CCC(n2cccc2)CC1 65515254 JMZDGSDCBBZNKQ-UHFFFAOYSA-N 349.434 4.191 0 40 EIAB CCC[C@@H](c1ccccn1)N(C)C(=O)c1csc(-c2ccco2)n1 69348777 LJISIQYESOTEIF-HNNXBMFYSA-N 341.436 4.412 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C 72215200 DSBYWWZDGQDTFM-HOCLYGCPSA-N 333.476 4.388 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1 72328950 TYWAOEYWVUIGMF-UHFFFAOYSA-N 339.826 4.011 0 40 EIAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccccc1 72337358 BTKMMJHOCAAXKY-FUHWJXTLSA-N 346.478 4.289 0 40 EIAB O=C(O)c1cc(C(=O)O)c2nc(-c3ccc(Cl)cc3)sc2c1 73635655 CBEHPGMZBVOOMF-UHFFFAOYSA-N 333.752 4.013 0 40 EIAB O=C(N[C@H](c1nccs1)C1CC1)N[C@@H](c1ccc(F)cc1)C1CC1 74141772 RGGHJMHFVPSSQQ-CVEARBPZSA-N 345.443 4.184 0 40 EIAB CCC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc21 76556366 KTWNHLKTDNIQPX-UHFFFAOYSA-N 340.448 4.187 0 40 EIAB CCCCCCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 78875663 NOMHGJWTEQNSSZ-UHFFFAOYSA-N 335.835 4.019 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2cc[nH]c2c1 79488711 XBEFCMDOPNKJOQ-UHFFFAOYSA-N 331.375 4.394 0 40 EIAB FC(F)(F)COc1cc(CN[C@@H](c2ccccc2)C2CC2)ccn1 91285326 LQBDGTSEEOERQP-KRWDZBQOSA-N 336.357 4.264 0 40 EIAB CC[C@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccs1 95412411 GNSPVKUWHYVKSQ-UONOGXRCSA-N 336.482 4.044 0 40 EIAB Cc1cnc([C@@H](C)NC(=O)N(Cc2ccccc2F)C2CCC2)s1 95412582 GEJJGDTZQVHMOM-CYBMUJFWSA-N 347.459 4.416 0 40 EIAB C[C@@H]1C[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O 95447004 AOEFYOVXEYHLLG-WIYYLYMNSA-N 349.474 4.263 0 40 EIAB Cc1nnc([C@@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)o1 96007791 CJXLFABIYNWKOE-SFHVURJKSA-N 348.406 4.473 0 40 EIAB COc1ccc2cc(C(=O)N(CCc3cccs3)C3CC3)[nH]c2c1 96120300 DTGWJJNMHRIUSZ-UHFFFAOYSA-N 340.448 4.085 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1C 101170494 DDDIJQWMJDFSJP-APWZRJJASA-N 342.439 4.377 0 40 EIAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101706823 LKWMEDLWCIVBFH-SBFPOUOMSA-N 348.295 4.096 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 113955590 OKELOFFMOYQMTP-INIZCTEOSA-N 338.234 4.467 0 40 EIAB C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(-c2ccccc2)o1 126332943 YBSGJJCOHXGWMK-LLVKDONJSA-N 336.317 4.274 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)/C=C/c3ccco3)C2)cc1 208002511 XJMLAJNUPCMKGI-FLVLSHQESA-N 325.408 4.098 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc(C)c1 224440601 OYENXOQCSATZCP-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2cccc(Cl)c2)c1 224485004 FYRHTOGOBNIFDF-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB O=C(O)[C@H](Cc1ccc(Br)cc1)Sc1ccccc1 225066862 CVXOTAZQDMUMJM-AWEZNQCLSA-N 337.238 4.237 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225119972 DGJACPDZAZGVNS-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB COC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1C 225304805 IHUVXXQAGYSACL-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB Cc1cccc(CSCCNC(=O)Cc2cccc(Cl)c2)c1 225484663 RZEKSEZZGBKANT-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB CC(C)OC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1 225495644 BXMVPRJSCPKGLW-OAHLLOKOSA-N 326.440 4.267 0 40 EIAB CCOc1ccccc1NC(=S)NCc1cccc(OC(C)C)c1 225522966 IOTZREMIBFEQRY-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CCOc1cc(CNC(=S)Nc2ccc(C)cc2C)ccc1OC 225769915 UYWOHHNOVKWSBR-UHFFFAOYSA-N 344.480 4.197 0 40 EIAB O=C(COc1cccc2c1CCCC2)N[C@@H]1CCCc2ccccc21 225809724 YIUKPCQUBQSVJX-HXUWFJFHSA-N 335.447 4.138 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cn1 225867465 PTYQIPHWYVFIKV-UHFFFAOYSA-N 328.387 4.070 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1cc(C)cc(C)c1)c1ccccc1 408981728 WMKPOLOVJPGTTR-GOSISDBHSA-N 340.423 4.119 0 40 EIAB CCOc1ncccc1-c1nc(C2(c3cc(F)ccc3C)CC2)no1 570008997 YQDBCEHWYMIQIM-UHFFFAOYSA-N 339.370 4.058 0 40 EIAB CC1(C)CC[C@@H](NC(=O)CCc2ccon2)[C@H](c2ccccc2)C1 634525617 ZLLLDBXJYPXHLX-ZWKOTPCHSA-N 326.440 4.086 0 40 EIAB CO[C@@H]1CCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)c2ccccc21 1614940804 OARKLQJZZLEKKN-QGZVFWFLSA-N 349.421 4.073 0 40 EIAB Cc1ccc(C(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)c(C)c1 1775968725 STIULNAHSVLXRY-MRXNPFEDSA-N 341.432 4.088 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CC[C@H](C)C2 127450 HRXLVQKIVXTKPB-LBPRGKRZSA-N 342.464 4.392 0 40 EIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccco1 142897 DZILIBXJDQAOJM-UHFFFAOYSA-N 330.434 4.138 0 40 EIAB CCC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 420619 ATXFHPZDJISXEZ-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SC)c23)CO1 506359 DXVJYLLAZAQHNQ-CQSZACIVSA-N 326.512 4.377 0 40 EIAB Cc1ccccc1NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 560873 YONOFNQJYQZCHR-UHFFFAOYSA-N 334.419 4.427 0 40 EIAB CC(=O)Nc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 818136 FUTCEBZJUVAMEB-FQEVSTJZSA-N 332.407 4.098 0 40 EIAB CCCCCCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 2366347 HAMPEOBDAMMHLS-UHFFFAOYSA-N 334.445 4.314 0 40 EIAB CCCCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O 2492162 LWGXRCSTLWQJEB-UHFFFAOYSA-N 332.831 4.396 0 40 EIAB C[C@H](NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3269477 MMKXPHBFZIXHRC-AWEZNQCLSA-N 340.492 4.350 0 40 EIAB Cc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCC4)cc1C 3307087 SWKQWPITGSVLMX-UHFFFAOYSA-N 337.448 4.439 0 40 EIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCO2 3461983 SVOCRLSTVFFCJE-FPYGCLRLSA-N 335.281 4.086 0 40 EIAB C[C@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 4416235 IVQGMURVQGDFDP-YZGWKJHDSA-N 327.468 4.154 0 40 EIAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 4525565 IHIULIUAYBBVFZ-RFAUZJTJSA-N 332.856 4.380 0 40 EIAB CC(C)C(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 5003418 OIIBFJAJAMBYAW-NSHDSACASA-N 344.069 4.220 0 40 EIAB NNc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 5047025 YTAFMEYPKYMFJJ-UHFFFAOYSA-N 342.493 4.148 0 40 EIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 6965667 GMCAGEWRVQBZGN-YZVOILCLSA-N 349.386 4.218 0 40 EIAB COc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 7682656 NOOTWGBWDJAQTD-HNNXBMFYSA-N 337.423 4.247 0 40 EIAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 7686050 VAWCEEVMOAYKEN-QHCPKHFHSA-N 345.442 4.452 0 40 EIAB O=C(CCc1ccsc1)Nc1ccc2c(c1)OC1(CCCC1)O2 8269727 QWGXRFRUBOMNHH-UHFFFAOYSA-N 329.421 4.361 0 40 EIAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(C)cc2)cc1 8411727 VXSOZLCDLHEGFP-UHFFFAOYSA-N 336.435 4.275 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1C 8479863 UPFCOEYQDDNLRX-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CC[C@@H](Nc1ccc(SC(F)F)cc1)C(=O)Nc1cc(C)on1 8720398 DXCULUWTMUJAKH-GFCCVEGCSA-N 341.383 4.127 0 40 EIAB COc1cccc2sc(NC(=O)c3ccc(CSC)o3)nc12 8724693 GLNGYECXLPACRE-UHFFFAOYSA-N 334.422 4.013 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CCCC2)c(C(F)(F)F)c1)C1CC1 8755929 MLVUJBXXENXOIK-UHFFFAOYSA-N 340.345 4.183 0 40 EIAB O=C(NCc1cn2ccccc2n1)c1ccccc1Nc1ccccc1 8778696 GHVVIRPCFGFIMA-UHFFFAOYSA-N 342.402 4.008 0 40 EIAB Cc1csc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)n1 8908742 QCZNULXNBRBGML-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)cc3)ccc21 9137299 RHYOZSMJRAAELK-UHFFFAOYSA-N 336.435 4.327 0 40 EIAB COc1ccccc1-n1nc(CSc2ccc(C)cc2)cc1O 9939754 JQMLPVYUKURQJI-UHFFFAOYSA-N 326.421 4.187 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 10405640 VGHRKTVVGSDBQI-UHFFFAOYSA-N 337.297 4.005 0 40 EIAB COc1ccccc1-c1noc(CNc2cc(Cl)ccc2C)n1 11264568 UOECCZKVCKPSHC-UHFFFAOYSA-N 329.787 4.319 0 40 EIAB Cc1ccc2nc(CNc3ccccc3-c3ccccc3)cc(=O)n2c1 11618984 DKCXWFSWJWITQZ-UHFFFAOYSA-N 341.414 4.282 0 40 EIAB O=C(CN1CCCCCC1)Nc1ccc(OCc2ccccc2)cc1 12586271 XCPNNYLWJTXUCX-UHFFFAOYSA-N 338.451 4.080 0 40 EIAB C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 12852828 VKVTZVAUEKNKTL-LLVKDONJSA-N 347.773 4.482 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(C(C)(C)C)cc1 13649625 NBVLSQYIGQWXHQ-IBGZPJMESA-N 330.516 4.369 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1Cl 13710452 ZSNOGRCJLKODEC-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ncc(C)s3)s2)cc1 13719667 VQJJOKANRYHFTA-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1 15662400 ACDHCTMWDANQFP-CXAGYDPISA-N 330.453 4.031 0 40 EIAB O=c1nc(SCc2ccc(F)cc2)c2c(n1C1CCCC1)CCC2 15840367 KQNYUBBFMBCRKL-UHFFFAOYSA-N 344.455 4.279 0 40 EIAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)OCC(C)C)[C@@H]3CCC1 19625207 OOXMQWBFJXIIKR-GOSISDBHSA-N 326.440 4.435 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 20495222 NIWYQWYBJOFCNK-ZDUSSCGKSA-N 349.883 4.488 0 40 EIAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2)cs1 24481901 DYDMCNRXYTWBDX-LBPRGKRZSA-N 342.395 4.355 0 40 EIAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C2CC2)on1 25537448 DRCYHCYXZUPTIQ-UHFFFAOYSA-N 325.195 4.131 0 40 EIAB Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(F)c(F)c1 26047056 NQBLSSHUJJTAAQ-UHFFFAOYSA-N 344.386 4.434 0 40 EIAB O=C(Nc1ccccc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 27355225 QMAMOHJQHBWNET-LJQANCHMSA-N 346.434 4.131 0 40 EIAB CC[C@H](C(=O)Nc1cnn(Cc2cccc(OC)c2)c1)c1ccccc1 28220878 VGUWABIHRGJYQU-FQEVSTJZSA-N 349.434 4.072 0 40 EIAB CC(=O)Nc1s/c(=N/c2ccccc2)n(C)c1-c1ccc(C)cc1 28405588 LHWQFNCRTLPXPF-XUTLUUPISA-N 337.448 4.253 0 40 EIAB Fc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 28807326 WYFMFHHUNNBPMJ-UHFFFAOYSA-N 349.818 4.435 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29482478 QKPDSNZQERQFIH-SFHVURJKSA-N 328.843 4.206 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 31334920 WNJNRFNPFJIYHP-AWEZNQCLSA-N 339.826 4.359 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)nc2)o1 31633190 FAQQBCVEFMSXMN-GIYGXLGSSA-N 337.423 4.050 0 40 EIAB Cc1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)c1 32719648 HLHVWOBONCHQIR-UHFFFAOYSA-N 340.404 4.018 0 40 EIAB C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 40480037 NFLXCESPLJYFDL-CQSZACIVSA-N 344.405 4.052 0 40 EIAB CC(C)c1nnc(NC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 43696249 KTBNSMDCMJZYRF-CQSZACIVSA-N 330.457 4.203 0 40 EIAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1cccc2ccccc12 45890548 ZNHUFPAQYRZZNT-UHFFFAOYSA-N 349.459 4.364 0 40 EIAB CCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 54748217 XRFSOUUNOGRPIY-CYBMUJFWSA-N 339.464 4.207 0 40 EIAB CC(C)[C@H](C(=O)NCC1(N(C)C)CCCC1)c1ccc(Cl)cc1 62580889 BSGGBZGAJYWBGI-KRWDZBQOSA-N 336.907 4.070 0 40 EIAB CC(C)(NCc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 79065527 QOHKZFIODVXMMS-UHFFFAOYSA-N 336.357 4.212 0 40 EIAB COCC[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1ccc(C)o1 95465963 OEQDXSSEFPMHCH-SFHVURJKSA-N 340.423 4.194 0 40 EIAB O=C(CCc1nnc(C2CCCC2)o1)N1CCCC2(CCCCC2)C1 96472643 CYGAJFXUZDJLBP-UHFFFAOYSA-N 345.487 4.233 0 40 EIAB CC(=O)N(C)c1cccc(NCc2sccc2Br)c1 97378286 ZXXTWPXDWWIWBZ-UHFFFAOYSA-N 339.258 4.105 0 40 EIAB Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(O)c1CCC(C)C 102080779 MUXFIRBFDVYTEO-UHFFFAOYSA-N 327.403 4.446 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1 113969766 AEERLKWTCIZWOT-HXUWFJFHSA-N 341.451 4.122 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(COC)c1 176029964 BOVLPXXTFBEVGA-INIZCTEOSA-N 333.815 4.283 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)COc1ccc(Cl)cc1 218740622 SLBXRTUZLXYWAB-UHFFFAOYSA-N 343.766 4.021 0 40 EIAB Cc1cc(NC(=S)NC2CCCCCC2)ncc1Br 224040924 GZEWXMKSDSOWDL-UHFFFAOYSA-N 342.306 4.162 0 40 EIAB CC[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(OC)cc1 225488836 MCNBXSSJHQSVAH-OAHLLOKOSA-N 336.407 4.411 0 40 EIAB COC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496553 ZUZWZMZNRKNSDU-UHFFFAOYSA-N 332.403 4.257 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C)cc1 225702059 PJHFARJGKHBOCS-GOSISDBHSA-N 326.465 4.368 0 40 EIAB Cn1nc(C2CCCCC2)cc1NCc1cnc(C(C)(C)C)nc1 332654747 LCWUPSHOISPYLD-UHFFFAOYSA-N 327.476 4.167 0 40 EIAB CCCCN(CC)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 583651592 OWXJISVTDDSOSX-UHFFFAOYSA-N 340.423 4.264 0 40 EIAB Cc1nc2ccccc2n1CC(=O)N1CCc2cc(C(C)(C)C)ccc21 1523614924 ZXSNYGMJQUPYGG-UHFFFAOYSA-N 347.462 4.232 0 40 EIAB Oc1ncc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)c2ccccc12 1657765898 AZJIKHBQOUKANZ-LEWJYISDSA-N 348.446 4.029 0 40 EIAB Cc1cccc2cc(CNc3ccccc3C(F)(F)F)c(=O)[nH]c12 421441 OYBGHWWWSBQCAU-UHFFFAOYSA-N 332.325 4.467 0 40 EIAB O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3ccccc3)N12 1035656 MAGIISGXNRAQOZ-LJQANCHMSA-N 332.428 4.030 0 40 EIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 2637512 MAGBPTOJWLBFPF-JTQLQIEISA-N 342.247 4.133 0 40 EIAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C)(C)C 2889614 LXNASPFEAGCBGI-UHFFFAOYSA-N 347.436 4.195 0 40 EIAB Cc1cccc(OCCn2c(CN3CCCCC3)nc3ccccc32)c1 5209322 PFJCAMDWFZWLMU-UHFFFAOYSA-N 349.478 4.410 0 40 EIAB c1ccc2sc(CSc3nnc4c(n3)[nH]c3ccccc34)nc2c1 6455276 OMZOFYSWPPKHEA-UHFFFAOYSA-N 349.444 4.408 0 40 EIAB CCc1ccc2c(CC(=O)Nc3cc(OC)ccc3OC)coc2c1 6609124 HMXFZVWWCOGICH-UHFFFAOYSA-N 339.391 4.194 0 40 EIAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)o1 6994280 NKAWBPZRKJVHFT-GFCCVEGCSA-N 328.393 4.118 0 40 EIAB COc1ccc(C)cc1NC(=O)CSCCCc1ccccc1 7148563 WIAYWUGSZPYGAE-UHFFFAOYSA-N 329.465 4.308 0 40 EIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 7247191 UUYFOBPUTBRBMW-UHFFFAOYSA-N 344.414 4.177 0 40 EIAB CC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 7656345 CFMHNYPRSFEZSQ-UHFFFAOYSA-N 344.366 4.339 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)OCc1cc(-c2ccccc2)on1 7895203 WIAUHYSDLLLSLB-UHFFFAOYSA-N 332.359 4.109 0 40 EIAB COc1ccc2cc(CN(C)CC(=O)Nc3cccc(C)c3)ccc2c1 7926559 UNKWRSDYXZMUJO-UHFFFAOYSA-N 348.446 4.227 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 8293255 GYPLTDOCJATHKF-INIZCTEOSA-N 336.218 4.392 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(C)=O)c1 8496027 BVEZWYMIJPCJPP-QGZVFWFLSA-N 331.799 4.339 0 40 EIAB COc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1 8497361 XTBQXIBHXPROMG-HILYYZTDSA-N 329.484 4.398 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9060201 HUHIRPOFQCQFJO-MRXNPFEDSA-N 331.375 4.286 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc(F)cc1Cl 10311023 CHGAWYMDCBDXKC-QGZVFWFLSA-N 332.806 4.255 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(C)nc2c1 10405360 XIEFHVXUIZSOOG-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3ncc(C)s3)cs2)c(C)c1 10626661 YDTPPKQRUYXXAY-UHFFFAOYSA-N 343.477 4.373 0 40 EIAB CC[C@@H]1c2cccn2CCN1C(=O)c1ccc2nc(C)sc2c1 12325205 SLSURJUZJJRCPJ-OAHLLOKOSA-N 325.437 4.013 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Br)c1 12523184 QLVANFSEVGYHDA-INIZCTEOSA-N 345.240 4.426 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12899612 BMFYQJFYZDKKFP-SUMWQHHRSA-N 345.439 4.255 0 40 EIAB Cc1cccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)c1 13669514 WYNBBGAMACQMMY-UHFFFAOYSA-N 339.460 4.059 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13687916 AKIQTTNFMUVRSE-UHFFFAOYSA-N 343.448 4.125 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 14001662 BEPWPCJTGKXPQS-BUHFOSPRSA-N 336.435 4.175 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 14006496 RKBFHGQMYMGCRG-JTQLQIEISA-N 340.206 4.408 0 40 EIAB Cc1csc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)n1 14142019 AGNOUWLUSQURAE-YOGCLGLASA-N 340.539 4.003 0 40 EIAB O=C(/C=C/c1cccc2ccccc12)N[C@@H]1CCOc2ccccc21 14780467 NKXOTOPFGWGMQG-DRUFCSCSSA-N 329.399 4.493 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20141839 SUZYHRKRJYMAGU-UHFFFAOYSA-N 333.771 4.078 0 40 EIAB O=C(Cc1cccs1)OCc1cc(-c2cc3ccccc3o2)on1 22769060 LLJDNYPFLSGPDG-UHFFFAOYSA-N 339.372 4.435 0 40 EIAB Cc1ccc(OCCSCC(=O)Nc2cc(C)ccc2C)cc1 23412299 LOIFZANHMGQXHD-UHFFFAOYSA-N 329.465 4.363 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 24838318 JIONAZSFPHTVAU-SFHVURJKSA-N 348.849 4.292 0 40 EIAB C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccn1 28782439 DAQYWJBWNNZCID-ZDUSSCGKSA-N 344.505 4.441 0 40 EIAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccco2)cc1C 29624519 KZZSJOJHINBDHF-UHFFFAOYSA-N 347.414 4.400 0 40 EIAB CC(C)(C)c1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)cc1 32593853 GOEXZNRVOSYRHS-UHFFFAOYSA-N 342.527 4.322 0 40 EIAB C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 32610153 AMBMDSMTYLJIPN-SECBINFHSA-N 338.190 4.213 0 40 EIAB Cc1cccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c1 36635372 CMZDDZSCDNXEAZ-AWEZNQCLSA-N 349.217 4.046 0 40 EIAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccccc1Cl 37866170 NQIRQAPCACYPEB-UHFFFAOYSA-N 341.842 4.359 0 40 EIAB O=C(Nc1nncs1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 40554460 HGBDUSQAIKRSFR-NSHDSACASA-N 343.239 4.214 0 40 EIAB CCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)s2)cc1OC 48500828 FPFSEMUKSYTAOZ-CYBMUJFWSA-N 333.453 4.345 0 40 EIAB C[C@H](NCc1ccccn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 54203685 KVNKZMFRJVBNCL-HNNXBMFYSA-N 349.409 4.324 0 40 EIAB COCc1cccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 58282779 HNNQMZWQIONSQY-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB O=C(NCC1(c2ccccc2)CCC1)Nc1cccc2cccnc12 65490133 OEMXJYIGQZRQNU-UHFFFAOYSA-N 331.419 4.478 0 40 EIAB COc1ccccc1-c1c[nH]cc1C(=O)N[C@H](C)CCc1ccco1 65620740 QLKSUPDGCHEQGT-CQSZACIVSA-N 338.407 4.034 0 40 EIAB CC(C)n1c([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2ccccc21 69846352 QYHIRISBHJTJQF-INIZCTEOSA-N 348.450 4.032 0 40 EIAB COc1ccc(Br)cc1CN1c2ccccc2C[C@@H]1C 70137985 QHSRUPDPKSPVEQ-LBPRGKRZSA-N 332.241 4.409 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CCC[C@@H]2CCCC[C@@H]21 71828328 BFUPXUYQWFEELJ-RDJZCZTQSA-N 326.440 4.332 0 40 EIAB C[C@H](NC(=O)CCc1ccsc1)c1nc(-c2ccncc2)cs1 72275214 LBLPMAAQMNNXMZ-LBPRGKRZSA-N 343.477 4.077 0 40 EIAB Cc1noc(C)c1-c1nc(N2CCC[C@H](C)C2)ncc1-c1ccncc1 72342853 WOLGXTBOZHLEJO-ZDUSSCGKSA-N 349.438 4.047 0 40 EIAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357811 ADMNEOLQGJMLBN-OAQYLSRUSA-N 343.430 4.045 0 40 EIAB c1ccc(CCCN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378671 WSUOYKBKUOEHKM-FQEVSTJZSA-N 346.478 4.080 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(O)c(Cl)c2)C1 72405575 QKTJWXLNKPSMRO-LBPRGKRZSA-N 343.770 4.007 0 40 EIAB Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCCOCC1 79317251 UAUOMZZBWPFEJC-UHFFFAOYSA-N 342.464 4.400 0 40 EIAB Cn1ccnc1Sc1ccccc1NC(=O)/C=C/c1ccccc1 89761489 OOHPIYIASYRUCP-VAWYXSNFSA-N 335.432 4.223 0 40 EIAB COc1cccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)COC3)c1 92163339 DPYVIGSJZGTAEZ-LJQANCHMSA-N 338.407 4.094 0 40 EIAB OC1CCN(Cc2ccccc2NCc2ccc(F)cc2Cl)CC1 95425773 QIOUIPGQRYIBAL-UHFFFAOYSA-N 348.849 4.048 0 40 EIAB CN(CCCn1ccnc1)C(=O)Nc1cccc(-c2ccsc2)c1 95426823 ZPZXDBFXIVJCNS-UHFFFAOYSA-N 340.452 4.166 0 40 EIAB CO[C@@](C)(CNC(=O)CCc1ccccc1F)c1cccc(Cl)c1 96392747 HOVHYWFKXLFGLJ-IBGZPJMESA-N 349.833 4.090 0 40 EIAB CCOc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)cc1CO 96437007 PSDIFGJEARYEAL-CQSZACIVSA-N 338.407 4.406 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc2ccccc2c1 222797125 MHQQEQHKDMGTLF-NRFANRHFSA-N 349.430 4.322 0 40 EIAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2)c1 224091856 AMCDPZFARLFVKC-HNNXBMFYSA-N 327.424 4.193 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cn1 225409304 DOWAHRIXMBLATO-ZDUSSCGKSA-N 343.496 4.435 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1 225754080 KVLIERFTJPOHEU-CQSZACIVSA-N 342.464 4.219 0 40 EIAB CC1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2Cl)CC1 226275653 IRGHHNYXQXCYJS-UHFFFAOYSA-N 334.769 4.101 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)c3ccccc3F)CC2)o1 227163780 LSIYAUGPOFRBPB-UHFFFAOYSA-N 330.403 4.131 0 40 EIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 408790913 UJRXRDUSAXFTCF-ZMUHTPIZSA-N 349.459 4.330 0 40 EIAB CC(C)(C)c1nc2cc(N[C@@H]3CCN(c4ccccc4)C3=O)ccc2o1 517601505 JOPIFPLETPUNGI-MRXNPFEDSA-N 349.434 4.343 0 40 EIAB O=C(c1ccc(OC(F)(F)F)c(Br)c1)C(F)(F)F 604221491 ASEHNDXRHVIIIN-UHFFFAOYSA-N 337.013 4.093 0 40 EIAB CC[C@@H](NC[C@H](O)c1ccc(F)cc1Cl)c1ccccc1F 1659204749 DGDKGYQUWDNDNN-SJORKVTESA-N 325.786 4.393 0 40 EIAB Cc1ccc(OC(=O)c2ccc(F)cc2)c(-n2nc3ccccc3n2)c1 348322 FPBQBJHMLCXWEG-UHFFFAOYSA-N 347.349 4.087 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1 365208 MZWHCEWSSISORO-UHFFFAOYSA-N 347.237 4.300 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cnn1-c1ccccc1 385349 IWBKIEHJTOMMJE-ZDUSSCGKSA-N 339.826 4.325 0 40 EIAB c1ccc(Oc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 1397966 UDWVQQUUWZNCCI-UHFFFAOYSA-N 326.359 4.393 0 40 EIAB O=C(NCc1ccccc1)C(Cc1ccccc1)Cc1ccccc1 1701212 GEKGCIOAXFZCKO-UHFFFAOYSA-N 329.443 4.404 0 40 EIAB Cc1ccccc1[C@@H]1CC(=O)c2cn3c(nc2C1)nc1ccccc13 2438706 IPOLXRBNKKFARD-AWEZNQCLSA-N 327.387 4.104 0 40 EIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1c(Cl)cccc1Cl 3397915 JCLGEDITBPVMED-LLVKDONJSA-N 335.234 4.383 0 40 EIAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc2ccccc12 3507313 WZHANRJKEQOKMA-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1 3529268 PABHUORKHXAGJC-UHFFFAOYSA-N 332.355 4.099 0 40 EIAB CC[C@H]1c2cc(OC)c(O)cc2[C@H](c2ccc(O)c(OC)c2)[C@@H]1C 4683191 QSYFPBASFNGQSF-YZRASEIHSA-N 328.408 4.390 0 40 EIAB CCCCCC[C@@H](C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 4699261 IAYSTBNJYFOZCQ-OAHLLOKOSA-N 340.508 4.109 0 40 EIAB C[C@@H]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 4902681 FIBOEJDOGBAJLL-SECBINFHSA-N 335.662 4.317 0 40 EIAB CCN(CC)CCN(C(=S)Nc1ccccc1)c1ccccc1 5499376 BRQTXXMLBTVZMR-UHFFFAOYSA-N 327.497 4.232 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccccc1Cl 5726825 ZXNFNQPJXURKMW-UHFFFAOYSA-N 331.843 4.333 0 40 EIAB Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)o1 5753578 QQTRQHNUZMDVQA-XGWLTEMNSA-N 336.428 4.057 0 40 EIAB COC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc2c1CCCC2 6472528 YONNLPVEPQYSIN-UHFFFAOYSA-N 343.448 4.283 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(OC(F)F)cc3)sc2C1 6995123 MSNSJHIEYACJES-SECBINFHSA-N 338.379 4.122 0 40 EIAB Cc1ccc(C)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 7447658 RPHCYOGFIICTLL-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB C[C@@H](CNC(=O)c1csc(-c2ccsc2)n1)c1ccccc1 7963122 NLVRMMNMSJTGHQ-LBPRGKRZSA-N 328.462 4.405 0 40 EIAB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1 8769817 JDLXZYJTCBRPPH-UHFFFAOYSA-N 337.448 4.370 0 40 EIAB CCC[C@@H](NC(=O)[C@H](C)N1CCc2sccc2C1)c1ccccc1 10093985 OCANSTJKSOQSKY-MAUKXSAKSA-N 342.508 4.152 0 40 EIAB Cc1c(CN2CCC(O)(c3ccccc3F)CC2)[nH]c2ccccc12 12363494 FVIFURLAXBDRBL-UHFFFAOYSA-N 338.426 4.099 0 40 EIAB C[C@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1 12418117 VXIHAEZSNHRDEK-LBPRGKRZSA-N 329.400 4.356 0 40 EIAB COC(=O)c1c(CNc2ccc(C(C)=O)cc2)nc2ccccc2c1C 12596131 XXZQMNNKSUTENB-UHFFFAOYSA-N 348.402 4.145 0 40 EIAB Cc1nc(CSc2ccc(C(=O)NCc3ccco3)cc2)cs1 12774871 IBHIKGZZIRKUFQ-UHFFFAOYSA-N 344.461 4.267 0 40 EIAB COc1ccc(-c2nc(C)c(C(=O)NCC3CCCCC3)s2)cc1 12800894 HYQASPLWGSTJAM-UHFFFAOYSA-N 344.480 4.437 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13676659 HQTBPCJZLYSMQV-MRXNPFEDSA-N 345.508 4.473 0 40 EIAB O=C(CNc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccs1 15291906 OGDNOPTVEGEJKV-AWEZNQCLSA-N 338.835 4.316 0 40 EIAB CSc1ccc(CN(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 15765619 YVHIMJPFATVSAT-KRWDZBQOSA-N 347.867 4.024 0 40 EIAB Cc1ccccc1CSc1nc(=O)n(-c2ccccc2)c2c1CCC2 15840409 HGKWUFRDBFSOHH-UHFFFAOYSA-N 348.471 4.322 0 40 EIAB COc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1OC 19842831 MOZBHKVRTRGDJV-UHFFFAOYSA-N 340.250 4.343 0 40 EIAB O=C(NCc1ccncc1)c1ccc(CSCc2ccccc2)cc1 20238983 LSGJQXQMSKRVGZ-UHFFFAOYSA-N 348.471 4.445 0 40 EIAB Cc1noc(C)c1C(=O)OCc1nc2ccccc2c(C)c1Cl 21332408 ZEEHKVAERCIERQ-UHFFFAOYSA-N 330.771 4.158 0 40 EIAB c1ccc(N2CCN(CSc3nc4ccccc4s3)CC2)cc1 21554637 WUFGPNHNYBPZBM-UHFFFAOYSA-N 341.505 4.168 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(Cl)c1Cl 25106247 PBJPZFKUARESQG-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 27384259 PVSUMHTVMONAKG-QGZVFWFLSA-N 329.440 4.092 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccc(F)cc1 29716262 VZVCWHOTAKFGAH-DYXWJJEUSA-N 346.405 4.230 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)n2cnc3ccccc32)cc1 30646751 KPZCOVBRNNGMCO-LPHOPBHVSA-N 333.435 4.269 0 40 EIAB CCc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 31675032 VYZJFUNJQRYWRC-UHFFFAOYSA-N 341.436 4.322 0 40 EIAB Cc1nc(CSCC(=O)NC[C@@H](c2ccccc2)C(C)C)cs1 32914600 JFAMZJJLGTXUQI-QGZVFWFLSA-N 348.537 4.241 0 40 EIAB Cc1ccccc1N1C(=O)/C(=C/c2ccco2)c2ccccc2C1=O 33463008 FBALFCJGRFUHJX-QGOAFFKASA-N 329.355 4.316 0 40 EIAB COC(=O)c1c(/C=C/c2cn(-c3ccccc3)nc2C)cccc1OC 35973590 PTURWJHEZRJFDC-OUKQBFOZSA-N 348.402 4.146 0 40 EIAB Cc1cn(C)nc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 36701847 ILRIJCPCUFEHQI-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB COc1cc(Cl)c(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC 40062299 VNQXBIWRMRDRTJ-UHFFFAOYSA-N 348.761 4.230 0 40 EIAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCO[C@@H]2CCCC[C@H]21 40145742 IPVYZLOYBFPAAZ-QWUFOESZSA-N 339.435 4.178 0 40 EIAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(OC)cc1 44947098 JCQVSGZQLIZGJS-LJQANCHMSA-N 341.451 4.267 0 40 EIAB C[C@@H](NCc1ccccn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 54203686 KVNKZMFRJVBNCL-OAHLLOKOSA-N 349.409 4.324 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1CNCCc1ccccc1 61002742 WHBVYMASLNFQOQ-UHFFFAOYSA-N 339.870 4.226 0 40 EIAB COc1ccccc1CNC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67339266 TZFXAFLTWXLYBR-VQHVLOKHSA-N 341.794 4.424 0 40 EIAB C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1 69327105 WHBXSBHMXCHYER-ZBFHGGJFSA-N 328.843 4.157 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=O)NC1CCSCC1 69569246 AKLGHGSEEWQRAR-UHFFFAOYSA-N 343.290 4.083 0 40 EIAB COCc1ccccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 71882903 VOMQRHKCDLAQKC-GFCCVEGCSA-N 332.469 4.078 0 40 EIAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 78182762 YNVVKLXVRRYOMU-VQTJNVASSA-N 329.484 4.330 0 40 EIAB CCn1c([C@@H]2CCCN2c2cc(C)nc(C3CC3)n2)nc2ccccc21 88736487 PHQJQYHIXHHJIT-SFHVURJKSA-N 347.466 4.374 0 40 EIAB Cc1ccc(CC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)s1 89656510 AOCJEYPGDWYVES-UHFFFAOYSA-N 329.450 4.086 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nn1 89913521 KCIYPNPHESSDIQ-CYBMUJFWSA-N 349.419 4.171 0 40 EIAB CCOC[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 89986708 LFGRKYOKSXEOSZ-AWEZNQCLSA-N 347.455 4.361 0 40 EIAB Cc1ncsc1CCN(C)[C@H](c1cccc(F)c1)c1ccccn1 95399429 HJCDCQXVHXAZCQ-LJQANCHMSA-N 341.455 4.250 0 40 EIAB CCOc1cc(CNc2nc3cc(F)ccc3n2CC)ccc1OC 95943694 MBQOTOAVJFGYFM-UHFFFAOYSA-N 343.402 4.215 0 40 EIAB Fc1ccc([C@H](Cn2ccnc2)N[C@H]2CCCc3ccccc32)cc1 96013540 IRSTYNNTMFFZIQ-SFTDATJTSA-N 335.426 4.431 0 40 EIAB Cc1nc(-c2ccccc2)sc1NC(=O)N(C)Cc1ccncc1 97107756 BEIYSNYVEFMFLG-UHFFFAOYSA-N 338.436 4.177 0 40 EIAB CCn1c([C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)nc2ccccc21 101528888 HRSBNBKHULMECU-MRXNPFEDSA-N 342.830 4.015 0 40 EIAB CCSc1nc2n(n1)[C@H](c1ccccc1C)C1=C(O)CCCC1=N2 102678649 POEWSOPRMBFHNW-MRXNPFEDSA-N 340.452 4.370 0 40 EIAB C[C@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102791662 HZPRINBWEYSSMZ-GARXJVFOSA-N 331.431 4.120 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCCSCc2ccccc2C)c1 218948888 TZDWAOKJMLBBGU-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOC)cc2)CCC[C@@H](C)C1 225664521 QXCGRROWXDLQRP-UZLBHIALSA-N 349.471 4.026 0 40 EIAB O[C@@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccc(F)cc1)CN2Cc1ccccc1 253616015 MODPAPWMWURKBP-CBPXPLCBSA-N 339.454 4.345 0 40 EIAB CSC1(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CCC1 390835447 NZYCHBWSEULBNT-CYBMUJFWSA-N 331.485 4.080 0 40 EIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cccc(C)c2)c1 408706473 YMCJOVNUQHIYJR-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CN(C)c1ccc(NC(=O)NC(=S)c2cccc3ccccc23)cc1 408732648 TVEGQJJXMWGQHW-UHFFFAOYSA-N 349.459 4.403 0 40 EIAB O=C(c1ccc(Br)cc1C(F)(F)F)C(F)(F)Cl 575243107 KCJMQWIWCOJFDX-UHFFFAOYSA-N 337.469 4.482 0 40 EIAB N=c1ccn(Cc2ccc3cc(F)ccc3c2Br)cc1 575627010 DUMJXYPVBCVBCP-UHFFFAOYSA-N 331.188 4.071 0 40 EIAB O=C(CCSc1ccccc1)NCc1ccc(-c2ccco2)o1 585147818 WFJFKJPJOSVTAG-UHFFFAOYSA-N 327.405 4.338 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cccc(F)c1 1775979065 ZDPASNPRNCAWPS-KRWDZBQOSA-N 341.407 4.018 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1ccc(Br)o1 89578 LIVXVNWPAMSLLH-UHFFFAOYSA-N 344.990 4.057 0 40 EIAB Cc1ccc(OCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 121102 VQAGZROMCIFTDS-UHFFFAOYSA-N 338.432 4.060 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1nnc(C2CCCCC2)s1 149718 RLWJSMCCOFYLQY-VAWYXSNFSA-N 343.452 4.246 0 40 EIAB Cc1ccc(-c2csc(SCC(=O)Nc3nccs3)n2)cc1 1018845 QOBZEQORZDNHFF-UHFFFAOYSA-N 347.490 4.306 0 40 EIAB Cc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1411894 APSWCLAMRIMHSE-HXUWFJFHSA-N 346.455 4.339 0 40 EIAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1(F)F 3175471 JURZRMDEBPKTAC-ZDUSSCGKSA-N 327.252 4.429 0 40 EIAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1 3442135 UXEFDNWDUXDCFV-UHFFFAOYSA-N 334.346 4.318 0 40 EIAB CC(C)CCCCCCOc1ccc(C(=O)NCCCC(=O)O)cc1 4023313 DAOJKNZFERHKLS-UHFFFAOYSA-N 349.471 4.267 0 40 EIAB biogenic C[C@]12COc3ccc4ccccc4c3[C@H]1c1sc(=O)[nH]c1SC2 4337626 MVCHNDAEFUUZBT-KBXCAEBGSA-N 341.457 4.226 0 40 EIAB N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 5046828 RTGUCRXOIDMIDB-HNNXBMFYSA-N 345.855 4.258 0 40 EIAB Cc1ccc2cccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c2n1 5198602 RYSRPEUJJVNCHJ-INIZCTEOSA-N 348.446 4.060 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(OC)c1 5688197 QMOOYOOKEWFFOF-SNAWJCMRSA-N 329.371 4.193 0 40 EIAB COc1cc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 6259115 UNEFGBRQSMXEEO-UHFFFAOYSA-N 339.313 4.283 0 40 EIAB Brc1ccc(OCc2nnc(-c3cccs3)o2)cc1 6510338 WZNSWKZSTJDRLX-UHFFFAOYSA-N 337.198 4.140 0 40 EIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1F 6810797 MKNITRKCMSEKCI-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 7814251 FEJQOYHZWIZAMG-CQSZACIVSA-N 325.408 4.197 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3ccccc3c2)c1 8355023 RIKTWDKQQZPSPG-CQSZACIVSA-N 335.403 4.348 0 40 EIAB CCC[C@H](C)NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 8388800 GDLKWVKBBBGYKC-HNNXBMFYSA-N 327.424 4.193 0 40 EIAB Cc1cccc(-c2noc(CCCC(=O)Nc3ccccc3F)n2)c1 9196363 WGYFBDJTSXTCSB-UHFFFAOYSA-N 339.370 4.146 0 40 EIAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1cccc(Cl)c1 9526061 KOFJNQPIFDEMQE-UHFFFAOYSA-N 338.798 4.007 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188082 XCSFLGXLQNXFCU-LJQANCHMSA-N 348.421 4.323 0 40 EIAB C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccn1 12767053 RBYSUDYTUZZDDX-CQSZACIVSA-N 327.391 4.260 0 40 EIAB Cc1noc(C)c1CSCCC(=O)Nc1ccc2c(c1)CCC2 13019802 RJVRWHANNZXDPQ-UHFFFAOYSA-N 330.453 4.042 0 40 EIAB C[C@H]1Sc2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2NC1=O 14134532 BFTPNYODMLLLQA-GHMZBOCLSA-N 346.477 4.014 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2Cl)cc1C 14221969 WYTBZCASPDONTE-CYBMUJFWSA-N 335.806 4.352 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 14258006 QTFFOSOZVRPCES-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 15519701 KTMBZXGORUROAD-QWHCGFSZSA-N 333.428 4.192 0 40 EIAB C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1nc2ccccc2c(=O)[nH]1 16694734 UOUNBQFJJVKJJQ-CABCVRRESA-N 347.462 4.214 0 40 EIAB COc1ccc(CCc2nc(-c3cc(Cl)ccc3OC)no2)cc1 17071941 KXYHXZYZDAVEAE-UHFFFAOYSA-N 344.798 4.192 0 40 EIAB O=C(NCCC1=CCCCC1)c1ccc(NC(=O)c2ccco2)cc1 17335155 VGJMVJUDXOZNQJ-UHFFFAOYSA-N 338.407 4.152 0 40 EIAB Cc1ccc(SCCNC(=O)CSCc2ccccc2C)cc1 20237676 NISJPBXBIAGZJZ-UHFFFAOYSA-N 345.533 4.445 0 40 EIAB O=C(Oc1ccc2c(Cc3ccccc3F)noc2c1)c1cccnc1 20745333 FPEYCGHEQLFTPY-UHFFFAOYSA-N 348.333 4.172 0 40 EIAB C[C@H]1CCc2c(sc3nc(SCC(=O)C(C)(C)C)nc(N)c23)C1 21228502 IVQOZMSZDFFPIR-VIFPVBQESA-N 349.525 4.106 0 40 EIAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccccc1F 22053936 OBFKAHUFVQPVOQ-UHFFFAOYSA-N 325.318 4.356 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccncc3)ccc2c1 22881396 KUYVWYJVUJPJDN-GJZGRUSLSA-N 334.419 4.224 0 40 EIAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(F)cc2F)cc1 24048228 AKHGCVTVILQYTH-UHFFFAOYSA-N 347.361 4.211 0 40 EIAB COc1cc(CNc2nc(-c3ccccc3)nc3ccccc23)ccn1 25510256 LAYHDYCFDYSQGI-UHFFFAOYSA-N 342.402 4.313 0 40 EIAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2cccs2)cc1 28908855 LFJJQECKSMPDPB-UHFFFAOYSA-N 342.489 4.347 0 40 EIAB O=C(NCc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 32797300 FOJWYNDPEYATLX-SFHVURJKSA-N 340.423 4.476 0 40 EIAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1ccco1 32971668 RPVGLENBXLPIAM-UHFFFAOYSA-N 331.412 4.129 0 40 EIAB Cc1cccc(NC(=O)c2cc3cccc(Br)c3o2)n1 33219080 CYHWYZKFYHEOOC-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB CCOCc1ccccc1CNC(=O)N[C@H]1CCCc2ccccc21 36392375 RLUSGOJLEGMZBF-FQEVSTJZSA-N 338.451 4.100 0 40 EIAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1Cl 36621072 RADPZDRKPSJNCB-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB CN(Cc1ccco1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 40086477 JUKIDIALPYTNEX-UHFFFAOYSA-N 349.434 4.142 0 40 EIAB CC[C@H](C)c1noc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 41123109 GDSRFYNXVNYVOR-LBPRGKRZSA-N 347.846 4.256 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)O[C@H](c1ccccc1)c1ccccn1 42622229 DCHVQKBBTFDTNF-JOCHJYFZSA-N 342.398 4.438 0 40 EIAB Cc1cc(OCC[C@@H]2CCCNC2)c(Br)c(C)c1Cl 42770252 RLADAOQRUGDCKB-LBPRGKRZSA-N 346.696 4.488 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1C 45890295 SNJOYZOMRSGRIA-UHFFFAOYSA-N 332.831 4.119 0 40 EIAB CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccco1 47277626 LAIPWCJWZRWBRN-UHFFFAOYSA-N 337.423 4.155 0 40 EIAB O=C(OCc1cc2ccccc2nc1Cl)c1ccc2c(c1)COC2 64692019 AAVDGYIWNJTPKW-UHFFFAOYSA-N 339.778 4.275 0 40 EIAB CCC(=O)Nc1ccc(-c2csc(N3CCC[C@@H](C)C3)n2)cc1 71971932 ZROGREAHCGGIRG-CYBMUJFWSA-N 329.469 4.395 0 40 EIAB CCN(CC)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72212925 QKLMXAUOKXYECU-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB O=C(Nc1ccncc1)N(CCc1ccccc1F)C1CCCC1 72277053 QWCPWYGEYZYLBQ-UHFFFAOYSA-N 327.403 4.240 0 40 EIAB CCCC(=O)Nc1cccc(NC(=O)N2CCSC(C)(C)C2)c1C 83559959 HPTVWAHVMCECRT-UHFFFAOYSA-N 349.500 4.093 0 40 EIAB COc1cc(OC)c2nc(Cl)c(Br)c(Cl)c2c1 95098251 DSHCMAWBLLEISD-UHFFFAOYSA-N 337.000 4.321 0 40 EIAB Fc1ccc([C@@H](Cn2ccnc2)N[C@H]2CCCc3ccccc32)cc1 96013542 IRSTYNNTMFFZIQ-LEWJYISDSA-N 335.426 4.431 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 96586399 QSAHMDKMKDSTSN-OAHLLOKOSA-N 339.435 4.370 0 40 EIAB Fc1ccccc1CN[C@H]1CC[C@H](NCc2ccccc2F)CC1 100173875 ZUHNAMVIPHBHSV-HDICACEKSA-N 330.422 4.155 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N(c1ccccc1)c1ccccc1)OC2=O 100260166 UOAFRVOULZECKY-VXKWHMMOSA-N 349.430 4.473 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(C)cc1)C2 100424128 TWNAMEXKIKSNAF-ROUUACIJSA-N 331.529 4.077 0 40 EIAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 101276693 NYYJYNWAUANOEA-INIZCTEOSA-N 342.826 4.009 0 40 EIAB Cc1csc(C2=C(O)CN([C@@H](C)CCc3ccccc3)C2=N)n1 102243242 JPFDXMBKWWRQMZ-ZDUSSCGKSA-N 327.453 4.035 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 108960258 DWXMVMPBFRTSFY-ZPFDUUQYSA-N 340.236 4.143 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 113959916 LGWVMDXJBHXCBW-MSOLQXFVSA-N 327.399 4.177 0 40 EIAB Cc1nc(CCCC(=O)N2CC[C@@H](C)c3cccc(O)c32)cs1 186284222 AVLHFGRILVGTBV-GFCCVEGCSA-N 330.453 4.020 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1Cl 224623020 IWNKKYQCAXZXAC-GFCCVEGCSA-N 333.815 4.238 0 40 EIAB CC1(C)C[C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2O1 225032615 BCVYAZOJLPSLII-INIZCTEOSA-N 329.827 4.301 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(C)n1)CC(C)(C)O2 225676393 DGTTUQFOOGXHDM-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB NC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 226322080 XLKRLUGZJDJKSA-UHFFFAOYSA-N 330.598 4.325 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1c(C)cc(N)cc1Cl 226763096 AJNKHOOEWBILBF-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB Cc1nc(N2[C@@H](C)CCC[C@H]2C)nc2c1C(=O)C[C@H](c1ccco1)C2 253575279 UKJNCXUBFUMRBM-VNHYZAJKSA-N 339.439 4.058 0 40 EIAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnc(O)c2ccccc12 1652530693 UVFOFNCNASNANE-GOEBONIOSA-N 336.410 4.458 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2O)c1 362918 VHEBECOZYDLPCH-UHFFFAOYSA-N 333.815 4.495 0 40 EIAB Cc1ccc2c(c1)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C2=O 368902 NQKQZVYZFWDFTJ-UHFFFAOYSA-N 339.700 4.468 0 40 EIAB COc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1 421128 HXGDPHCUUFIQCT-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 422625 BCHPDWOONRTFDM-UHFFFAOYSA-N 338.480 4.467 0 40 EIAB O=C(NCCCCCSC(=O)c1ccccc1)c1ccccc1 1733122 MUDJBZKMDLNFRK-UHFFFAOYSA-N 327.449 4.160 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1C 2715815 PDNQFCDFTFBBRK-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)o1 3407330 DQATYVMBPWXPCB-VAWYXSNFSA-N 341.407 4.081 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 3443737 OILVTFBEVXUSOM-CYBMUJFWSA-N 331.799 4.257 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1cccc(C)c1)C2 4857060 RNYHLENKICCIME-AYHJJNSGSA-N 331.529 4.077 0 40 EIAB C/C(=C\c1ccccc1)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 5045784 IQDMRNHAOGKQJW-AQRXXJNJSA-N 340.511 4.060 0 40 EIAB O=C(C1c2ccccc2Oc2ccccc21)n1nnc2ccccc21 5604742 NIJQSFBJGJDUML-UHFFFAOYSA-N 327.343 4.009 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1O 5615355 HYMKWJCEWDSXQU-UHFFFAOYSA-N 334.400 4.397 0 40 EIAB C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccccc2)cs1 5622332 HKTYKFGNYVZDGT-LBPRGKRZSA-N 341.461 4.324 0 40 EIAB COc1cc(C=O)cc(Cl)c1OC(=O)c1ccccc1Cl 5661073 XIKLGWSCRJITAD-UHFFFAOYSA-N 325.147 4.034 0 40 EIAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 5904523 VXUGSHQNQQUFMV-UHFFFAOYSA-N 338.436 4.150 0 40 EIAB Ic1ccc(Cn2ccc3ccccc32)cc1 6080279 RGSKWCZEFKBVMX-UHFFFAOYSA-N 333.172 4.294 0 40 EIAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 6255682 FWVIZOPKXBQHOO-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCCC2 7272781 UQPMYJAYGHIQDT-UHFFFAOYSA-N 343.448 4.018 0 40 EIAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 7380682 JJMNDVAKSFYMPD-GFCCVEGCSA-N 337.250 4.452 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCSc2ccccc21 7777489 NWMPKDAGFAMCPG-CQSZACIVSA-N 333.840 4.316 0 40 EIAB CCOc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 8180003 QLIQJRGIEXVVQS-WJDWOHSUSA-N 327.767 4.083 0 40 EIAB C[C@H](Sc1nccn1C)C(=O)Nc1ccccc1-c1ccccc1 8719918 QTZCKFPPFKAKKL-AWEZNQCLSA-N 337.448 4.206 0 40 EIAB O=C(Cc1cccs1)Nc1nnc(CSc2ccccc2)s1 9095438 UKOOSSJQDHJANG-UHFFFAOYSA-N 347.490 4.073 0 40 EIAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 9468746 IDLXCXDNVUGXPU-OAHLLOKOSA-N 331.419 4.169 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503780 ACKRLWJRMREWKX-AWEZNQCLSA-N 339.826 4.236 0 40 EIAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cccs1 12111444 NQIABMFUBNSBTD-INIZCTEOSA-N 348.899 4.359 0 40 EIAB Cc1cccc(N2CN(Cc3ccccc3Cl)CNC2=S)c1C 12462899 DVMLRMCNQOAFLC-UHFFFAOYSA-N 345.899 4.069 0 40 EIAB CCOc1ccc2nc(NC(=O)c3cc4c(s3)CCC4)sc2c1 12598873 AEHVQGZJGKOOQB-UHFFFAOYSA-N 344.461 4.498 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1Cl 12749663 XPSCEDIGMCPJSR-HNNXBMFYSA-N 345.826 4.459 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1cccc(F)c1 12761315 LSQOTYCBUIYHKX-UHFFFAOYSA-N 334.394 4.468 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H]1CCCc2occc21 12936458 IKOYYOHUKKXUCM-CQSZACIVSA-N 344.461 4.201 0 40 EIAB Cc1ccc(F)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 12987224 YKLHONRPZRYJAJ-UHFFFAOYSA-N 349.789 4.130 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 14258438 HNZXXHSFSHGSCH-OUKQBFOZSA-N 346.386 4.113 0 40 EIAB CCCn1c(NC(=O)CSc2ccccc2)nc2ccccc21 14626062 QZCDUGWFMVSBDL-UHFFFAOYSA-N 325.437 4.177 0 40 EIAB CCN(C(=O)COc1ccccc1OC)c1cccc2ccccc12 14738312 OEUIPMSSNPVICP-UHFFFAOYSA-N 335.403 4.280 0 40 EIAB COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)no2)cc1 15669813 HZOMUNTWGIOHQC-UHFFFAOYSA-N 329.739 4.223 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(OCC)c2ncccc12 15840864 ONBHXKRRWUKNDA-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB CC(C)n1ncc2cc(NC(=O)CCCc3cccs3)cnc21 17526540 LJYXJTUDEICXKG-UHFFFAOYSA-N 328.441 4.035 0 40 EIAB CC(=O)c1c(NC(=O)c2ccccc2)nc(-c2ccccc2)[nH]c1=S 18193254 RKNWDNVKVPSWCW-UHFFFAOYSA-N 349.415 4.261 0 40 EIAB CC1CCN(Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)CC1 19934011 HDIWWBGBVJTYQH-UHFFFAOYSA-N 344.405 4.449 0 40 EIAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20494275 LYNLCBPIZJYPIO-CQSZACIVSA-N 327.424 4.226 0 40 EIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccccc1 22245686 KLGOCWUQPPIFTP-UHFFFAOYSA-N 341.411 4.264 0 40 EIAB Cc1cc(C)n(-c2ccc(NC(=O)c3oc4ccccc4c3C)cn2)n1 24571822 ATQSJFBGZPLBQH-UHFFFAOYSA-N 346.390 4.191 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1c2ccccc2C[C@@H]1C 27976891 BFYYRIIOTLHRCG-AWEZNQCLSA-N 331.419 4.081 0 40 EIAB COc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 28231372 PTKJCHAFMPXLMD-UHFFFAOYSA-N 349.434 4.118 0 40 EIAB COCc1cccc(NC(=O)CSCc2ccccc2Cl)c1 29146286 CEVRUWSRUPWNAG-UHFFFAOYSA-N 335.856 4.358 0 40 EIAB Cn1ccnc1[C@H](NCc1ccc(Cl)cc1)c1ccc(F)cc1 30644270 VEIULOMNZIVWCQ-QGZVFWFLSA-N 329.806 4.092 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccccc2s1 31392097 STVTTXDFLYMONX-HNNXBMFYSA-N 348.431 4.150 0 40 EIAB CN1CCC(NCC[C@@](C)(c2ccccc2)c2cccs2)CC1 31808698 ARUHXPBBCKUSRX-FQEVSTJZSA-N 328.525 4.128 0 40 EIAB COc1ccc(CCS[C@H](C)C(=O)Nc2cccc(F)c2)cc1 32854112 QZSVRJSFTMIFFY-CYBMUJFWSA-N 333.428 4.137 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 33604578 AALCAUAWMFLNKF-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(NC(=O)c2ccccn2)cc1 35315193 LBHXSGVMJXHIEB-ARFHVFGLSA-N 349.434 4.099 0 40 EIAB C[C@@H](CNc1ncnc2sc(-c3ccccc3)cc12)Cn1cccn1 36393984 ULDGGSDIJGXKLO-AWEZNQCLSA-N 349.463 4.303 0 40 EIAB c1csc(-c2noc(CCCc3nc(-c4cccs4)no3)n2)c1 41155396 UVXVAYWJSPRHOU-UHFFFAOYSA-N 344.421 4.085 0 40 EIAB CC(C)c1ccc(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 44263427 VXYSMYVPOBQQAX-UHFFFAOYSA-N 330.516 4.168 0 40 EIAB CSc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 44839052 MVBZWMCCUJMSSI-UHFFFAOYSA-N 337.448 4.037 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(N2CCCC2)c1 47192319 OKSBHOKJKTTZNY-UHFFFAOYSA-N 332.806 4.261 0 40 EIAB Cc1c(C(=O)NC[C@@H](C)N(C)c2ccccc2)oc2c(F)cccc12 48261354 KTLWKHGZGLAGLQ-CYBMUJFWSA-N 340.398 4.135 0 40 EIAB Cc1noc(C)c1CNc1cccc(C(=O)N(C)c2ccccc2)c1 55880522 KMTLMVUGNDJRPK-UHFFFAOYSA-N 335.407 4.180 0 40 EIAB Cc1noc(CSc2nc(-c3cccs3)nc3ccccc23)n1 58342033 YCIWQEBTUHKINY-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB Clc1ccccc1-c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890665 GWXYFGDYZJCADK-UHFFFAOYSA-N 338.754 4.471 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 72331202 DPTGMTABVUSIKA-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB O=C(OCCc1cccnc1)c1nc(-c2ccccc2)oc1C1CC1 73299867 ZDQYTZHOUGSAGS-UHFFFAOYSA-N 334.375 4.014 0 40 EIAB CC(C)N(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CCC1 80425826 RJEWCLNPYOLYLV-UHFFFAOYSA-N 325.412 4.017 0 40 EIAB COC(=O)[C@@H](OC(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 83884315 JSJUPINWUCLZAK-LBPRGKRZSA-N 345.203 4.126 0 40 EIAB O=C(c1c2c(nc3ccccc13)CCC2)N1CCC[C@H](C(F)(F)F)C1 84587818 ZIZZLDDHBNAVJP-LBPRGKRZSA-N 348.368 4.138 0 40 EIAB O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC[C@]2(CCOC2)C1 84594605 IXQNQENNQWDEPJ-FQEVSTJZSA-N 336.391 4.230 0 40 EIAB C[C@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1 89905737 JLRKPQHLRBDRAZ-INIZCTEOSA-N 334.423 4.085 0 40 EIAB Cc1nc(C(C)C)c(-c2nn3c(-c4cccs4)nnc3s2)s1 95476567 ZBCGXNBHZMMXJX-UHFFFAOYSA-N 347.494 4.470 0 40 EIAB O=C(Nc1cccc(CCN2CCCC2)c1)c1cc(Cl)ccc1F 95982952 IHWIQBIAOQDTMF-UHFFFAOYSA-N 346.833 4.370 0 40 EIAB Fc1cccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3)c1 96214664 WLWFXOQDCOZIMN-QFIPXVFZSA-N 338.470 4.456 0 40 EIAB CC(=O)Nc1ccc(C)cc1OCc1coc(-c2cccc(F)c2)n1 103720628 KHBZSSXSEYYHMH-UHFFFAOYSA-N 340.354 4.327 0 40 EIAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 179706153 COTOZEAUHSIYJH-UHFFFAOYSA-N 339.435 4.162 0 40 EIAB O=C(Nc1cccc(Cl)c1F)c1ccc(-c2cncnc2)cc1F 186448652 OMVMMXNXLDMALA-UHFFFAOYSA-N 345.736 4.328 0 40 EIAB C[C@H]1CN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C[C@@H](C)O1 216840193 JUYWDRRAZKNBRW-OKILXGFUSA-N 340.398 4.243 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccccc1Cl 222860301 HWWISBFETGTIHO-GOSISDBHSA-N 331.843 4.246 0 40 EIAB Cc1cccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)c1C 223899956 WAYZKNMSYAWHJB-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC[C@H](C)c1ccccc1 225134032 CTOVXEOURMQADO-DLBZAZTESA-N 337.463 4.253 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1 225439214 DCJQJBPKJNHTEG-UHFFFAOYSA-N 345.870 4.419 0 40 EIAB Cc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)c(C)c1 225841731 YAFGCFPWQHRMKL-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1 226861767 UYNWLDNVQROKJR-UHFFFAOYSA-N 337.444 4.356 0 40 EIAB Cc1cc([C@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)C2)[nH]n1 282423760 LZXHLTPAEIUWKL-ZFWWWQNUSA-N 346.500 4.047 0 40 EIAB CCc1cc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc(O)n1 390833564 JJXXIBLACBWCAS-IBGZPJMESA-N 344.414 4.142 0 40 EIAB Cc1ccc(F)cc1NCN1C(=O)S/C(=C/c2ccccc2)C1=O 408727699 RQVVSTHHBUAUQV-CXUHLZMHSA-N 342.395 4.240 0 40 EIAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc2c(c1)oc1ccccc12 409004665 XYUGJUOSYVYXMF-UHFFFAOYSA-N 340.379 4.049 0 40 EIAB Cc1coc(C)c1-c1nc(-c2ccc(OC3CCOCC3)cc2)no1 585084160 BAFLGSUQUFAINK-UHFFFAOYSA-N 340.379 4.171 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 1136294967 SFPVSXKIJJKJMJ-BEFAXECRSA-N 338.455 4.048 0 40 EIAB CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1OCC 72302 ARPHRUVGDJRMDT-UHFFFAOYSA-N 333.815 4.319 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 147351 SLUMEKJXEITDGR-RMKNXTFCSA-N 331.799 4.318 0 40 EIAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccccc1 421836 YDXZAZIBEPHVBH-UHFFFAOYSA-N 337.448 4.248 0 40 EIAB CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 427693 BSUNLLCMKZGFRQ-WFASDCNBSA-N 325.408 4.191 0 40 EIAB COc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 430423 KRCOMGHEAZRPIR-CPNJWEJPSA-N 329.355 4.193 0 40 EIAB CC(C)CNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324342 YSBGWBHCDRXVQH-UHFFFAOYSA-N 330.428 4.276 0 40 EIAB C[P@@](=O)(Nc1cccc(Cl)c1)c1nc2c(s1)CCCC2 3174755 MWIHCRHRCQPZEG-IBGZPJMESA-N 326.789 4.321 0 40 EIAB Cc1ccccc1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 3453948 WAKMZFZMYNLKMN-JOCHJYFZSA-N 344.414 4.115 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 3462629 AOIFBSZZHTUCOQ-UHFFFAOYSA-N 337.206 4.133 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 3552262 QEKFDORQBJJODM-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CCCCOc1ccc(-c2nnc3n2N[C@H](c2ccco2)S3)cc1 3843267 UJCRQMWCQMVEMO-INIZCTEOSA-N 342.424 4.065 0 40 EIAB biogenic Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 3983825 GHWUZZCCPXLMSI-GPYRIXEGSA-N 328.500 4.135 0 40 EIAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1cccc(Cl)c1 4357957 NSGVLOSVNRVTNG-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB C/C(=C\c1ccccc1)[C@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 4543375 IIGCSMMYJZAWAD-ZAYKTNKFSA-N 338.476 4.458 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)c1 5002058 GYAMURHXUGISDN-UHFFFAOYSA-N 340.766 4.450 0 40 EIAB O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc(Cl)cc1Cl 5897367 FAOSVTNVEJCNDF-UHFFFAOYSA-N 349.217 4.153 0 40 EIAB CCCc1nnc(NC(=O)Cc2coc3c(C)c(C)ccc23)s1 6809920 AOTMPRBQJVYHPW-UHFFFAOYSA-N 329.425 4.035 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H](c2cccs2)C(C)C)cc1OC 7078126 YPBSXNOAGPXRSW-LHUXKHBRSA-N 345.464 4.292 0 40 EIAB CC(C)c1ccccc1NC(=S)NCC1(N(C)C)CCCCC1 7783182 IYUUMHKFRIOROA-UHFFFAOYSA-N 333.545 4.361 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CNc1cccc2ccccc12 7955347 WCXBNJIBZOPAFW-UHFFFAOYSA-N 348.402 4.067 0 40 EIAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 7984754 TTZWKEBCBWNFJM-AWEZNQCLSA-N 341.436 4.132 0 40 EIAB CCc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(F)cc2)C(=S)N1 8023658 KMAMYELVICOFMI-LPHOPBHVSA-N 342.439 4.323 0 40 EIAB Cc1ccccc1-c1nnc(-c2cccc(NC(=O)C(F)(F)F)c2)o1 8189823 LJUUVGMHLRWODT-UHFFFAOYSA-N 347.296 4.213 0 40 EIAB COc1ccc2cc(CNC(=O)c3cccc4cccnc34)ccc2c1 9940510 FXHXLDCBHFKQJL-UHFFFAOYSA-N 342.398 4.327 0 40 EIAB O[C@H](COc1ccc(-c2ccccc2)cc1)CSc1ccccn1 11692536 LBSJNTKZLYCLKB-GOSISDBHSA-N 337.444 4.281 0 40 EIAB COc1ccc(C[C@H](C)NC(=O)c2cc3ccccc3s2)cc1 12401829 VNXONJPYECAJAX-ZDUSSCGKSA-N 325.433 4.271 0 40 EIAB Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 12618225 BZHNSHYCQMIETA-UHFFFAOYSA-N 335.382 4.061 0 40 EIAB Cc1occc1-c1nnc(SCCCC(=O)c2ccccc2)n1C 12762333 FVUCVJDHBSWUHT-UHFFFAOYSA-N 341.436 4.139 0 40 EIAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)C(C)(C)C)c12 13641987 DOTZFQWEAXDGII-LLVKDONJSA-N 343.452 4.424 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 14022903 OCQZOHOGMFERPS-INIZCTEOSA-N 333.815 4.453 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSCc2cccc(C)c2)cc1 14830758 AAWVXIFWVAPOEO-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 19523547 BDVMDFVEWODATH-MJGOQNOKSA-N 339.483 4.062 0 40 EIAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)C3CC3)c2)c1 19690652 HUSCPDIQXHNIPW-FQEVSTJZSA-N 336.435 4.139 0 40 EIAB O=C(CCC1CCCC1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 22066909 ZLSHIFQDIVTRGT-UHFFFAOYSA-N 344.436 4.448 0 40 EIAB CCOC(=O)c1cc(CC)sc1NC(=O)CCc1ccsc1 24638059 MSHVQYHVERKMAF-UHFFFAOYSA-N 337.466 4.120 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)c2)cc1 25810918 DOVKUHZNMNOBDZ-NRFANRHFSA-N 333.435 4.218 0 40 EIAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-n2cccc2)cc1 31561924 PTROWDALBCCVBJ-UHFFFAOYSA-N 328.375 4.120 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1C 32487586 HVSAJLMMUTZTEZ-WMZOPIPTSA-N 325.452 4.208 0 40 EIAB O=C(CCC1CCCC1)NCc1ccnc(OCc2ccccc2)c1 32930396 QEKZYLVYOSSRSQ-UHFFFAOYSA-N 338.451 4.247 0 40 EIAB Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 33696239 JRZLLCFFBHFJNL-UHFFFAOYSA-N 349.868 4.263 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 38771966 WTTBRTALOJGSRT-CVEARBPZSA-N 327.424 4.038 0 40 EIAB Cc1ccc([C@@H](NC(=O)c2cccc(N(C)C)c2)C(F)(F)F)cc1 40015898 OWDBHOFSDUFITG-MRXNPFEDSA-N 336.357 4.094 0 40 EIAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccc(Cl)cc1 40023649 ZTDHCNIJNXUJNV-UHFFFAOYSA-N 343.814 4.010 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3ccc(N4CCCCC4)nc3)cccc2c1C 40063398 ZGCWFXKGPSXIPF-UHFFFAOYSA-N 348.450 4.422 0 40 EIAB CC(C)(C)c1ccc(OCC2CCNCC2)c(Br)c1 42774783 ORKQEQIGRDUQAS-UHFFFAOYSA-N 326.278 4.125 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(Cc2ccccc2)C1 48343450 BZNGDXZXBNJRSF-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB COc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)ccc1OCc1ccccc1 48354817 XDHQWOVMKLHIBX-RLFYNMQTSA-N 339.435 4.107 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)C(C2CC2)C2CC2)n1 51612425 QSZSEAFQXOAJPW-UHFFFAOYSA-N 338.455 4.141 0 40 EIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC=CCC2)c1 58201255 YJAVKKNOVULTDQ-ZDUSSCGKSA-N 334.847 4.115 0 40 EIAB CC(C)(C)n1ncc(NC[C@H]2CCCc3ccccc32)c(Cl)c1=O 64537835 ULHNFJJGGMBWBS-CQSZACIVSA-N 345.874 4.184 0 40 EIAB Cc1ccc(-c2nc(CN3CCC(c4cn[nH]c4)CC3)co2)c(C)c1 65513737 WROZQWAUJDAVDF-UHFFFAOYSA-N 336.439 4.061 0 40 EIAB CC[C@@H]1c2ccsc2CCN1CCCn1c(=O)oc2ccccc21 65592125 HXNKWYVGTBECBT-OAHLLOKOSA-N 342.464 4.056 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2C[C@@H]2c2ccco2)c1 69415471 UOPURNNMQRNHLG-VQTJNVASSA-N 346.430 4.316 0 40 EIAB CCc1ccc([C@H]2C[C@H](C)CCN2c2cc(C)nc(COC)n2)o1 75055713 LRVLVWLKPCWRKN-CZUORRHYSA-N 329.444 4.064 0 40 EIAB CCc1cccc(C)c1NC(=O)CCC(=O)c1ccc(OC)c(F)c1 81707787 JVYKCCNNDRNZBQ-UHFFFAOYSA-N 343.398 4.307 0 40 EIAB Cc1cc(C)cc(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)c1 82086938 DCFBUONHNVOWJD-KRWDZBQOSA-N 338.451 4.216 0 40 EIAB O=C(Oc1ccccc1C(F)(F)F)c1ccc(Cn2cccn2)cc1 84501779 CMQSKKDTGNELNS-UHFFFAOYSA-N 346.308 4.169 0 40 EIAB Fc1ccccc1-c1nnc(CNc2cccc(Br)c2)o1 89821285 SHCVKHUKKSIYGU-UHFFFAOYSA-N 348.175 4.250 0 40 EIAB Brc1ccc(CNc2cnn(-c3ccccc3)c2)cc1 89857593 KHMBVPSYJYCNGQ-UHFFFAOYSA-N 328.213 4.247 0 40 EIAB Cc1cc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)c(C)o1 89886197 BRDRAZBWHSTBBP-UHFFFAOYSA-N 341.411 4.484 0 40 EIAB c1ccc(CONc2nc(-c3ccncc3)nc3ccccc23)cc1 95348727 LKMOYXSWHQFDQG-UHFFFAOYSA-N 328.375 4.236 0 40 EIAB COc1cccc(CNCc2ccc(Cl)c3cccnc23)c1OC 95415415 APMZXDZULQNFIO-UHFFFAOYSA-N 342.826 4.195 0 40 EIAB Cc1nnc(-c2cccc(NCc3csc(C(C)(C)C)n3)c2)o1 95429209 LWBASTYWSJMUAY-UHFFFAOYSA-N 328.441 4.411 0 40 EIAB CC(C)c1noc(-c2ccccc2NC(=O)c2cccc(F)c2)n1 96346409 WRQSQJMJLMDWFW-UHFFFAOYSA-N 325.343 4.251 0 40 EIAB CSc1ccc(C)c(C(=O)Nc2ccccc2-c2nnc(C)o2)c1 96456383 RJMXOHZJXCTJQW-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB CC(=O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509793 NWYJZINTNLJSKB-UHFFFAOYSA-N 338.201 4.390 0 40 EIAB COc1ccccc1[S@@](=O)Cc1coc(-c2cccc(Cl)c2)n1 108079084 KGPUOOOYYRWQPZ-HSZRJFAPSA-N 347.823 4.311 0 40 EIAB Cc1nc2ccccc2nc1S[C@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 221829422 GCSYATYZPFDPDT-RNRVQEDPSA-N 326.465 4.424 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2)c(C)c1 225454276 ACDOUJHUODXVEF-UHFFFAOYSA-N 328.437 4.289 0 40 EIAB CCCOc1ncc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C 225911525 UNNALDWYSRUQBD-QRWLVFNGSA-N 348.487 4.493 0 40 EIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@H]4C(=O)O 253389035 HITLMPHPGUZLGI-QLZLHRNLSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro CO[C@H](C)c1cccc(NC(=O)N2CCOc3ccc(C)cc3C2)c1 573034799 RNHYJSGUFSALCY-OAHLLOKOSA-N 340.423 4.129 0 40 EIAB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C(Cl)(Cl)Cl 575361239 UPYSTPMEBNINTD-UHFFFAOYSA-N 339.499 4.476 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccsc2)o1 575609784 HAPGMZBDEXMSEK-CYBMUJFWSA-N 327.405 4.092 0 40 EIAB CC(C)(CC(=O)N1CCC[C@H]1c1ncon1)Cc1ccc(Cl)cc1 580210707 AOPZKJLTGPTNSA-HNNXBMFYSA-N 347.846 4.046 0 40 EIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1 411519 YBQSRYGDAYFXEY-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)Cc1ccccc1 569042 WFWCIZYTHHQENO-CQSZACIVSA-N 326.465 4.256 0 40 EIAB CC(=O)c1c(OC(=O)c2ccccc2Cl)c2ccccc2n1C 572650 QMFFXAUGDNXNLW-UHFFFAOYSA-N 327.767 4.254 0 40 EIAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)c1 587808 CIQIUEXTGLLCNY-UHFFFAOYSA-N 328.462 4.297 0 40 EIAB CCOc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1 819153 CIJFGKLTKVWUBM-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB CCCCCCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 2073883 ISSXLKGOHYHCEL-GFCCVEGCSA-N 330.457 4.361 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)c1ccccc1 3017456 RXDXZHOIOKOHBK-CYBMUJFWSA-N 326.783 4.365 0 40 EIAB COc1cc(-c2nc3ncccn3c2Nc2ccccc2C)ccc1O 3911573 PLTCKXGNYFQCHS-UHFFFAOYSA-N 346.390 4.163 0 40 EIAB C[C@@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)S1 4207793 DISFNROFKDRZKM-CYBMUJFWSA-N 343.427 4.351 0 40 EIAB CCOC(=O)c1cc2c(ccn2C)n1Cc1cccc2ccccc12 5000628 AOHTYEUDKPNTJK-UHFFFAOYSA-N 332.403 4.358 0 40 EIAB CC(C)C(=O)N1CCCc2cc(NC(=O)Oc3ccccc3)ccc21 5374141 DIAPDERCMWHLGM-UHFFFAOYSA-N 338.407 4.233 0 40 EIAB COc1cccc(CNC(=O)COc2ccccc2-c2ccccc2)c1 5611475 OKFYTJASPQHWJU-UHFFFAOYSA-N 347.414 4.057 0 40 EIAB CCCCCC(=O)NC(=S)Nc1ccc(CN2CCCCC2)cc1 5946120 BOUCTNMKTPENKI-UHFFFAOYSA-N 347.528 4.066 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 6472604 WGYHVQYXJNPQAA-VDBGNAEESA-N 332.484 4.099 0 40 EIAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(F)cc1F 7612342 XADXOYTYWLYPHV-UHFFFAOYSA-N 348.736 4.184 0 40 EIAB O=C(Nc1cccc2cnccc12)c1cccc(Br)c1 7655258 ACIIQWFFCCDCSU-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 8040893 ZIHIWUXJWYSJJA-INIZCTEOSA-N 327.424 4.497 0 40 EIAB COc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8117440 SXKLTIYLIVEHLA-HNNXBMFYSA-N 347.823 4.160 0 40 EIAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccs1 8391506 ZBTJAGHQBIBCHQ-SECBINFHSA-N 330.236 4.311 0 40 EIAB CCCn1cnc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 9356226 RLNDEZBWHDAJKC-UHFFFAOYSA-N 343.814 4.117 0 40 EIAB O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccncc1 11854282 JQFVROSIFBHOQT-UHFFFAOYSA-N 330.343 4.033 0 40 EIAB Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2Cl)no1 13494882 SHRNPXXYECTCEH-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1 13788786 PLUYLCKZPOAVPK-UHFFFAOYSA-N 328.437 4.289 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4cccc(F)c4)ncnc32)cc1C 17120466 IFETUFYHIMIRPR-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O=C(NC1CCCCC1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 17746738 RGWGQLBFUPUQLE-ARJVPZMDSA-N 330.299 4.291 0 40 EIAB O=C(NCCOc1ccccc1)c1ccccc1OCc1ccccc1 17849981 UUPDXADLMHBMKF-UHFFFAOYSA-N 347.414 4.074 0 40 EIAB COc1cccc(CN2CCC[C@H](c3nc(C)n4ccccc34)C2)c1 19240676 IPVDFBTZSLAHSX-SFHVURJKSA-N 335.451 4.031 0 40 EIAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccccc1C 20452170 ZOWUZAOXFREGRA-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1Cl 20488090 PBUGXVVBVCZNBI-GOSISDBHSA-N 331.843 4.431 0 40 EIAB CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(OC)cc1 21186720 RTDZSSVQQZLLGR-SFHVURJKSA-N 347.480 4.050 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 21875539 VIBFWOKNIWHBBN-CZUORRHYSA-N 342.464 4.309 0 40 EIAB O=C(Nc1ccc(Cl)cn1)c1occc1COc1ccccc1 26089155 AAEDERVYNRJVJX-UHFFFAOYSA-N 328.755 4.159 0 40 EIAB CCCC/[S@](Cc1ccccc1)=N/S(=O)(=O)c1ccccc1 28294407 GYPBAJJLWVNNAG-NRFANRHFSA-N 335.494 4.178 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 31133660 HDIWHJQGTUXHPT-GHMZBOCLSA-N 339.844 4.055 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2)cc1 36366254 WEUQMLHMUYYWQT-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)cc1 36366590 OSHNSWZLCHPYPU-KRWDZBQOSA-N 349.390 4.013 0 40 EIAB O=C(Nc1ccc(Br)cc1Cl)OCC(F)(F)F 37389170 IKQGFJLFTBMAKZ-UHFFFAOYSA-N 332.503 4.213 0 40 EIAB in-vitro Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 41091188 CMEOPTYFOJHPIN-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(C)C 41095159 BKUOTRHRVVDCQX-HNNXBMFYSA-N 347.480 4.248 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(OC)cc1 44883150 GNWCFHJFCHUVFH-RTBURBONSA-N 341.451 4.429 0 40 EIAB COc1ccc([C@@H]2CC(c3ccccn3)=NN2c2ccccc2)cc1 44973457 AMAYVBHOQWHADI-NRFANRHFSA-N 329.403 4.446 0 40 EIAB O=C(NNc1ccc(F)cc1)c1cc2c(s1)-c1ccccc1CC2 45970038 DQKRNZKGFIPBED-UHFFFAOYSA-N 338.407 4.410 0 40 EIAB C[C@H](NC(=O)CSc1ccccc1)c1cccc(OC(F)F)c1 46640552 HPCKKCXPGHBFMJ-LBPRGKRZSA-N 337.391 4.258 0 40 EIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1 49005547 IITCVEIBAHFTTQ-UHFFFAOYSA-N 348.450 4.472 0 40 EIAB O=C(c1ccc2ccccc2n1)N1CCC(OCc2ccccc2)CC1 58367109 YUZMLJRWPGKERE-UHFFFAOYSA-N 346.430 4.056 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351375 BEDDBVZWXPIDDY-UZLBHIALSA-N 341.451 4.347 0 40 EIAB Cc1ccccc1-c1nnn(Cc2csc(C3CCCCC3)n2)n1 60816354 GURPCTQDBXHHFB-UHFFFAOYSA-N 339.468 4.201 0 40 EIAB CCOc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 61167643 VFRYMSJAIRTCHK-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 64762631 JUJIOOMYKINCIY-CQSZACIVSA-N 347.842 4.131 0 40 EIAB Cc1ccn2c(F)c(-c3nnc(Cc4ccc(Cl)cc4)o3)nc2c1 66088503 IKLMZGZOHAJRRI-UHFFFAOYSA-N 342.761 4.076 0 40 EIAB O=C(CCc1ccccc1)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 71282119 CUAMRWUMULPAPO-UHFFFAOYSA-N 342.402 4.196 0 40 EIAB COc1ccc(-c2noc([C@H]3C[C@H]3c3c(F)cccc3Cl)n2)cn1 77968004 IFWQTXUHUYKVOS-MNOVXSKESA-N 345.761 4.204 0 40 EIAB CC(C)n1ccc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 89894116 DUCJKZFVIWQOGK-UHFFFAOYSA-N 329.444 4.052 0 40 EIAB Cc1cc(Cl)nc2c(Cl)ccc(S(=O)(=O)C(F)(F)F)c12 95097977 CEMHRQTVZTZGFU-UHFFFAOYSA-N 344.141 4.144 0 40 EIAB C[C@H](CCSc1ccccc1)N1CCC(OC2CCOCC2)CC1 95428294 DCICTRRJPQDPMP-QGZVFWFLSA-N 349.540 4.217 0 40 EIAB Cc1ccncc1NC(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 96000147 AVQYXHQMWZNCES-OAHLLOKOSA-N 343.431 4.046 0 40 EIAB CO[C@H]1CCCN(c2ccc(NC(=O)Nc3cccs3)cc2)C1 96122501 VUVJTAKOEIBBSB-HNNXBMFYSA-N 331.441 4.007 0 40 EIAB CCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)cc2cccnc12 97046560 YXRHAYOBZWPFSQ-UHFFFAOYSA-N 338.382 4.125 0 40 EIAB CCc1cc(O)n2nc(COc3ccccc3)c(-c3ccccc3)c2n1 102594789 ISRSQJPZCPQCOX-UHFFFAOYSA-N 345.402 4.243 0 40 EIAB COC(=O)c1cn(C(=O)CCc2ccc(C)c(C)c2)c2ccccc12 222646124 PZFZQBWXFXDEOX-UHFFFAOYSA-N 335.403 4.318 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223197194 OYJIXMUFSPSJTB-UONOGXRCSA-N 343.854 4.473 0 40 EIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 224287578 VKLYTPRZDHGCDI-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957642 VNNQSRSQAVYQRZ-UHFFFAOYSA-N 326.783 4.412 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)c(C)c1 225002439 ACPCQCUMXDYSLN-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CCN3CCC[C@H]3C2)cc1 253370122 MJNSRTOJKIISKU-IRXDYDNUSA-N 331.460 4.072 0 40 EIAB Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 531390015 JWRMZQMQQDRTKJ-GOEBONIOSA-N 348.215 4.183 0 40 EIAB CC1(C)C[C@@H]2CN(C(=O)C3CCCC3)CC[C@@H]2N1c1ccc(F)cc1 2037978069 VJRILDPITQIBQI-APWZRJJASA-N 344.474 4.222 0 40 EIAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(F)c(Cl)c1 423740 CSWNOJBBOGZOBI-HNNXBMFYSA-N 325.767 4.397 0 40 EIAB COc1cc2sc(NC(=O)c3ccccc3OC)nc2cc1Cl 587000 ZKYYEHASBIIIKV-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)c(C)c1 1267928 ZJMJFLUMPSVJSN-UHFFFAOYSA-N 330.384 4.070 0 40 EIAB O=C(NCc1ccccc1)c1ccc(Nc2ccccc2Cl)nc1 1340988 VHCVNRHUHZZUIP-UHFFFAOYSA-N 337.810 4.409 0 40 EIAB CCCCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21 2424221 CRMHIYIVFLXIDO-UHFFFAOYSA-N 345.406 4.032 0 40 EIAB O=C(CSc1ccc2ccccc2n1)Nc1ccc2c(c1)CCC2 2640778 QNZQXGNBVDCBTE-UHFFFAOYSA-N 334.444 4.454 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1Cl 3602889 VBQBDTIQOIYZDB-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CCOC(=O)[C@H]1CN(N=O)[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 3845411 DPZKOOVUUPQRNK-CEXWTWQISA-N 338.407 4.078 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@H]2C 4025697 KPUIORAMYKZOGW-CGENQQAYSA-N 329.440 4.489 0 40 EIAB biogenic CC[C@@H](C)Oc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050116 CFJQVOPJMUWCBQ-OAHLLOKOSA-N 333.453 4.017 0 40 EIAB COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 4696247 QVADGDGGPKULIY-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB CC(C)CCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 4869612 JAHVSGXKAPWEDS-AWEZNQCLSA-N 325.412 4.166 0 40 EIAB COc1ccc(Cl)c2sc(NC(=O)c3cccc(F)c3)nc12 5256567 DHHFNHXIFCJCLH-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB C=C1C[C@@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 5383415 JKPFAFOFFYRBDB-ISYHVGNFSA-N 342.479 4.005 0 40 EIAB O=C(CSc1ccccn1)N[C@H](Cc1ccccc1)c1ccccc1 7042828 REKJEXQTSXVLCY-LJQANCHMSA-N 348.471 4.274 0 40 EIAB NC(=O)[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 8983181 PZKMCFSAJHIJNY-NSHDSACASA-N 346.761 4.073 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 9063107 SKUQNNXLQBGIEK-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Cl)c1 9169135 TWNGHPUELXGKFJ-UHFFFAOYSA-N 339.738 4.389 0 40 EIAB CCc1cccc2c(C(=O)C(=O)NCCCCc3ccccc3)c[nH]c12 9615213 YCZPEVOIMCOKBN-UHFFFAOYSA-N 348.446 4.052 0 40 EIAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(OC)cc1 11658675 RGHKYLNVNSWTGI-AWEZNQCLSA-N 327.424 4.226 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2c(=O)s1 12274441 XKJKGXNYYCKYPQ-UHFFFAOYSA-N 329.808 4.476 0 40 EIAB FC(F)(F)c1cccc(-c2csc(NC[C@H]3CCCO3)n2)c1 12505478 LSWOPIZXCNERED-GFCCVEGCSA-N 328.359 4.420 0 40 EIAB Cc1cccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12602359 ZHXPFHPEIGJPSS-CVTTXWKISA-N 331.419 4.248 0 40 EIAB Cc1cc2occ(CC(=O)NCCc3c[nH]c4ccccc34)c2cc1C 12607851 PIGHEOAKASFEBV-UHFFFAOYSA-N 346.430 4.432 0 40 EIAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 12879102 IFKPXQDZSLUUJI-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2 13123877 PPPUDCRSTSZKGP-NRFANRHFSA-N 341.418 4.325 0 40 EIAB aggregator O=C(CCc1ccccc1)Oc1ccc(NC(=O)c2ccccc2)cc1 14631377 TUNCMRXLBBPVBG-UHFFFAOYSA-N 345.398 4.477 0 40 EIAB O=c1c2ccccc2nc2sc(-c3cccc(Cl)c3Cl)nn12 17072336 PIZDQJWTNLQXNE-UHFFFAOYSA-N 348.214 4.278 0 40 EIAB Fc1ccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1F 19344672 UWQYDPYZLVOKHK-LBPRGKRZSA-N 347.390 4.066 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1ccc(Cl)cc1 20030237 INSIOBPUNUCROF-XZHRJIJLSA-N 345.826 4.248 0 40 EIAB Cc1ccc(NC(=O)[C@H](Nc2cccc(CO)c2)c2ccccc2)cc1 21473295 CTNVIWBWJQKJMN-OAQYLSRUSA-N 346.430 4.279 0 40 EIAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 24445042 CATCXFJUBVZFNB-LJQANCHMSA-N 345.464 4.040 0 40 EIAB CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl 24484736 PVSOFFOZZUHZQK-RHSMWYFYSA-N 349.858 4.195 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccco1 27582643 VKTXWIVHFAZLNV-KRWDZBQOSA-N 346.858 4.280 0 40 EIAB CC(C)[C@@H](NC(=O)c1cccs1)c1ccc2c(c1)OCCCO2 32741415 RGIPGFCSQARROS-QGZVFWFLSA-N 331.437 4.037 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 32963893 RKTXNFKANLJIKA-RDTXWAMCSA-N 342.439 4.186 0 40 EIAB O=C1C[C@@H](c2ccsc2)c2snc(-c3cccc(F)c3)c2N1 35324569 WVZLAYPBXDZGLZ-LBPRGKRZSA-N 330.409 4.485 0 40 EIAB COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1OC(F)F 40120453 ZGBKBPVTYGYBLY-OAHLLOKOSA-N 347.361 4.056 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@H]2c1ccccc1 40286815 YHWZJDGHWFIVDF-HNNXBMFYSA-N 332.359 4.299 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cnc(-c2ccccc2)s1 46565484 ABUAGSNVMPQCQV-UHFFFAOYSA-N 347.443 4.264 0 40 EIAB CCCN(C(=O)c1ccc2[nH]nnc2c1)[C@@H](C)c1cc2ccccc2o1 54283575 WXBXRGAEBALSBA-ZDUSSCGKSA-N 348.406 4.318 0 40 EIAB CC(C)(C)c1ncc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 58045069 RZTQKKCCFIZFLS-UHFFFAOYSA-N 336.439 4.217 0 40 EIAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1c(C)noc1C 58217547 CCAQZJRZRCVVQE-CQSZACIVSA-N 341.455 4.227 0 40 EIAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)cc1 67898529 SFZYPSQGPOHSBE-SFHVURJKSA-N 345.874 4.436 0 40 EIAB biogenic,in-vitro CSc1ccsc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 69458278 FAQLTIKBFCUNKB-UHFFFAOYSA-N 348.493 4.251 0 40 EIAB CCCCN(C)CC1CCN(C(=O)Nc2cccc3[nH]ccc23)CC1 69703202 QDUGUVREWHYCHT-UHFFFAOYSA-N 342.487 4.144 0 40 EIAB CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccsc2)n1 72355670 QGPJMLWNUZSLMO-KRWDZBQOSA-N 338.480 4.228 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)N(C[C@@H]1CCOC1)c1ccccc1 84549096 PKCVSLUIRSQDDO-YRYLYKBFSA-N 341.838 4.423 0 40 EIAB CCc1ccc([C@H](C)NC2CCN([C@H](C)c3ccncc3)CC2)o1 90667707 HFUDNXZUWOLPKJ-JKSUJKDBSA-N 327.472 4.113 0 40 EIAB CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1noc(C)n1 95999179 JXBMHFZUUKJXBH-INIZCTEOSA-N 328.416 4.090 0 40 EIAB COC[C@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 96417951 PFMWRGAUGYMCFX-AWEZNQCLSA-N 334.485 4.222 0 40 EIAB C[C@@H](Nc1ccc(N2CCOC2=O)cc1)c1ncc(-c2ccccc2)o1 96437011 PXBBCBPCVPPCEM-CQSZACIVSA-N 349.390 4.471 0 40 EIAB Cc1nc(C[S@](=O)[C@@H](C)c2cccc(Br)c2)oc1C 97083665 MYBZZXYOPQZSBF-JEOXALJRSA-N 342.258 4.064 0 40 EIAB Cc1cc2oc(=O)cc(CN[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2cc1C 103414888 SVPQALSVIUZZSG-OVWQWFNUSA-N 325.452 4.324 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(Cl)cc1 223686443 JXNOOYUXLQVRGP-AWEZNQCLSA-N 343.854 4.303 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1Cl 224186687 VMXLLXYSBRFHTK-UHFFFAOYSA-N 342.197 4.250 0 40 EIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCC1 224432190 AHHZLKJZTLZAFX-HNNXBMFYSA-N 343.492 4.399 0 40 EIAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224651470 OGQUOJTWKLGUKS-UHFFFAOYSA-N 347.480 4.144 0 40 EIAB CCOc1cccc(NC(=S)NCCCc2ccc(C)cc2)c1 225388635 SFFFQEVRWAVBHO-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 606422307 JHZGTCHZUVCWTA-MPPDQPJWSA-N 348.295 4.096 0 40 EIAB Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)O[C@H](C)C2)c1F 1551360043 VQKIDQDJRYHWGV-QAPCUYQASA-N 327.399 4.126 0 40 EIAB Fc1ccc(CSc2nc(-c3ccc4c(c3)OCO4)ns2)cc1 1889201632 PBRWJRJIFYBGPA-UHFFFAOYSA-N 346.408 4.365 0 40 EIAB CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 405695 SUEDSRAVRSVYCC-UHFFFAOYSA-N 331.824 4.318 0 40 EIAB COc1cc(-c2nc3ncccn3c2Nc2ccc(C)cc2)ccc1O 428794 CKXDPTWNRYUVJS-UHFFFAOYSA-N 346.390 4.163 0 40 EIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 505687 NUTBWJNEXJRAQV-CQSZACIVSA-N 341.407 4.004 0 40 EIAB O=C(OCc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 1462717 DNCOFTSPUYEXIS-UHFFFAOYSA-N 346.382 4.291 0 40 EIAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)c1 2224263 OENJUECOLYBMHZ-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 2468480 YWSXVZXLEJDLJP-QAPCUYQASA-N 344.798 4.118 0 40 EIAB CCc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 2624445 IEXOKJVNJOSUIR-UHFFFAOYSA-N 341.889 4.265 0 40 EIAB COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 2752664 PSEOKJIWIYGVKB-UHFFFAOYSA-N 329.421 4.056 0 40 EIAB CCOCc1c(C(=O)OCC(=O)c2ccccc2)oc2ccccc12 3544397 UXDPYIBAMOATFZ-UHFFFAOYSA-N 338.359 4.009 0 40 EIAB c1cncc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 4511745 UUYGPKBYYRKOMO-UHFFFAOYSA-N 329.388 4.068 0 40 EIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)cc2)N3)C1 4545415 ATHVFMNONXMGFT-QFYYESIMSA-N 328.437 4.398 0 40 EIAB O[C@H](CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12 4862952 AVIDNPPGLHHWKD-JOCHJYFZSA-N 334.463 4.156 0 40 EIAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)o1 5092591 HDOHYFBYRAKYJQ-FXAWDEMLSA-N 331.375 4.225 0 40 EIAB CCn1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)c2ccccc21 5266150 JNCVUIIAZAJXAQ-UHFFFAOYSA-N 336.395 4.264 0 40 EIAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(F)c(F)c1 6377666 DYMRUEMFDUHATG-FPYGCLRLSA-N 325.261 4.218 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 7052203 KIIZEUUCQTYXOC-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 7294635 FXBHFEJWHKQNDX-UONOGXRCSA-N 327.449 4.154 0 40 EIAB COc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1 7404027 VTRZXPDTIOPBRY-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB COc1ccc2c(CC(=O)N3CCC[C@H]3c3cccs3)coc2c1 8131670 VFNYEBBVTWFDPM-INIZCTEOSA-N 341.432 4.409 0 40 EIAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 8393932 MNBPOTVFAVINMB-UHFFFAOYSA-N 331.730 4.491 0 40 EIAB Cc1c(C)n(-c2ccccc2)c(=S)nc(NCc2ccccc2)c1=O 8782843 SQKMOYUEEHVWLU-UHFFFAOYSA-N 349.459 4.191 0 40 EIAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 10035141 JVMAFVBKKVJHHD-VIFPVBQESA-N 333.363 4.457 0 40 EIAB CCc1ccc(CCC(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 10644159 MQNVVHXBYYGTMA-HXUWFJFHSA-N 347.462 4.005 0 40 EIAB COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1OC(F)F 11210295 NDQNPDBPXIGRMB-KRWDZBQOSA-N 347.361 4.178 0 40 EIAB CCOc1ncccc1C(=O)Nc1nc2c(ccc3ccccc32)s1 12599114 CMAOJLQQBKWQHX-UHFFFAOYSA-N 349.415 4.496 0 40 EIAB c1cc(-c2noc(CN3CCc4sccc4[C@H]3C3CC3)n2)cs1 12758507 WOFRAWJSHIIYHY-MRXNPFEDSA-N 343.477 4.369 0 40 EIAB O=C(NC1CC1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 12925020 GQPILZGXFQTNHL-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB O=C(Nc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 15436256 CJXARGAYEBHPOR-UHFFFAOYSA-N 334.219 4.372 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccc(Br)s1 15980093 CRLWQUMUBKJDBI-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB Fc1cc2c(c(CN3CCCCC3)c1)O[C@@H](c1ccsc1)OC2 16699040 LOHCBPQXJSTLRX-SFHVURJKSA-N 333.428 4.481 0 40 EIAB CN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H]1CCc2ccccc21 24828269 SCUUNCXBLNIFLK-IBGZPJMESA-N 346.430 4.420 0 40 EIAB COc1ccc(OC)c(CNCc2ccc(-c3ccccc3F)o2)c1 25071038 NCQUKCKWVGGSRO-UHFFFAOYSA-N 341.382 4.393 0 40 EIAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 25281275 RVBJXRZHPOSQSM-UHFFFAOYSA-N 344.777 4.010 0 40 EIAB CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 27680326 GBMBIDADYYCRLI-JXFKEZNVSA-N 333.435 4.243 0 40 EIAB COc1ccc2ccccc2c1CNC(=O)c1ccccc1Cl 29301545 CYVSTSIFGPHFLM-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB CN(C)c1ncccc1C(=O)Oc1ccc2oc3ccccc3c2c1 31677445 WICLXOPAQNBBEZ-UHFFFAOYSA-N 332.359 4.266 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1SCC(F)(F)F 32907861 ABPZNVXLNUGNID-PWSUYJOCSA-N 332.391 4.045 0 40 EIAB C[C@@H]1CCCN([C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 36390417 GPCPYXWKQMVFMV-VXGBXAGGSA-N 343.452 4.038 0 40 EIAB Cc1cc(COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)no1 36648357 GINKLDCSCZVEEB-UHFFFAOYSA-N 348.811 4.046 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cc(Cl)ccn3)c2)cs1 37108961 CDCIHESWXDVWMB-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccc(Cl)cc21 39331402 YUMXNFQGXIUSKT-UHFFFAOYSA-N 341.838 4.340 0 40 EIAB COc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)C)c(OC)c1 40023993 XEKHYFDAFIUEHQ-MRXNPFEDSA-N 334.441 4.284 0 40 EIAB CC(C)C(=O)Nc1ccc(-c2csc(NCC(F)(F)F)n2)cc1 40152951 QKSHLVUDMZNCCX-UHFFFAOYSA-N 343.374 4.379 0 40 EIAB COc1cccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 40485141 LXKCKLXCMRVZFM-SFHVURJKSA-N 335.407 4.082 0 40 EIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccoc1 47089938 CCHFKQBBGNLATE-SNVBAGLBSA-N 327.211 4.489 0 40 EIAB CCc1c(C(=O)N[C@@H](C)c2cc(C)sc2C)[nH]c(C)c1C(C)=O 52579885 IUZYWJODPJNYFD-JTQLQIEISA-N 332.469 4.257 0 40 EIAB CCCCS[C@@H](C)C(=O)Nc1ccccc1NC(=O)N1CCCC1 58230523 OHWBICNSZXNLBI-AWEZNQCLSA-N 349.500 4.175 0 40 EIAB CCc1ncc(CN(C)C(=O)Nc2cc(Cl)ccc2F)s1 67537618 DBQZAIDNMHUEKP-UHFFFAOYSA-N 327.812 4.162 0 40 EIAB Cc1ccc(CN(C(=O)c2cnccn2)[C@H]2CCc3ccccc32)cc1 71808660 JWJDKNASRWFGDZ-NRFANRHFSA-N 343.430 4.115 0 40 EIAB O=C(OC1CCCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 72273133 WLEAJXAGTUAKPC-FQEVSTJZSA-N 334.419 4.480 0 40 EIAB CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(C)cc1 72305818 ADPMSBSFGFHKQD-UHFFFAOYSA-N 349.475 4.200 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=O)N(CC(F)F)C1CC1 75109457 NPJZPAJCYQBAFM-UHFFFAOYSA-N 347.203 4.327 0 40 EIAB O=C(CCc1nnc(-c2ccccc2)o1)NCC1CCCCCCC1 79179606 LDPPSGSDEHDXJN-UHFFFAOYSA-N 341.455 4.146 0 40 EIAB CCn1ccnc1CNc1cc(C(C)(C)C)nn1-c1cccc(C)c1 83843636 MTDBZTAZKMCOMQ-UHFFFAOYSA-N 337.471 4.307 0 40 EIAB OC[C@H]1CCCCC[C@@H]1Nc1nc(-c2cccnc2)nc2ccccc12 84593296 KUURZSQKMAORKH-AEFFLSMTSA-N 348.450 4.045 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@H]1c1c(F)cccc1F 89768101 RLQXYMSQSLMRSA-RBSFLKMASA-N 349.421 4.066 0 40 EIAB Fc1cc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c2ncccc2c1 89827825 AOIWXGOTERAUCY-DYESRHJHSA-N 336.410 4.241 0 40 EIAB COc1cccc(CSCc2csc(N(C(C)=O)C3CC3)n2)c1 96406208 FKXOORXWRYFKLS-UHFFFAOYSA-N 348.493 4.100 0 40 EIAB O=C(Cc1ccsc1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166656 FYOJEFVUGHMXKV-QZTJIDSGSA-N 329.440 4.367 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(Cl)cc1Cl 100189286 CDCYSYACVZEUQD-CXAGYDPISA-N 334.250 4.354 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 101512760 QGQQDNQFNPPGQK-QKMWGZLOSA-N 344.430 4.333 0 40 EIAB Clc1cccc(Cl)c1-c1nn2c(-c3ccco3)nnc2s1 107838498 JEIDDHHXONVKLQ-UHFFFAOYSA-N 337.191 4.420 0 40 EIAB CO[C@@H](CNC(=O)c1ccc2ncsc2c1)c1ccccc1Cl 206850095 WFMNXKPADCMHLR-HNNXBMFYSA-N 346.839 4.067 0 40 EIAB CCc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1 218955137 YDMKXHYDNKOAIA-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CC(C)n1c(Cl)nc2cc(C(=O)NCc3ccccc3)ccc21 222540772 HLOZHZMJWMRTHV-UHFFFAOYSA-N 327.815 4.201 0 40 EIAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(C)cc1 224470261 SNWIQONKBJBFPD-UHFFFAOYSA-N 339.435 4.209 0 40 EIAB CCCOc1ncc(NC(=O)C2(OCCC)CCCCC2)cc1C 225909761 WSNUWWHGZKFLTO-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2c(N)cccc2Cl)cc1Cl 226359175 MMVKHUQSPQXRIL-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB O=C1CC[C@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)c2ccccc21 252488439 IRVBVQLGWHHDQI-ZDUSSCGKSA-N 349.308 4.110 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3ccc4cnccc4c3)CC2)no1 257264925 LWOBQAVSWLEVRU-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1O 409126951 PTOUPSPCWSVDQO-MHWRWJLKSA-N 347.436 4.017 0 40 EIAB CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N1CCC(N(C)C)CC1 512146358 PHYMCHSROWDFGK-JGCRXCKMSA-N 334.548 4.172 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@@H]1c1ccccc1 565873771 ZXGFGKFVJPDTOP-RTBURBONSA-N 345.446 4.277 0 40 EIAB Cc1cc(OC[C@]2(O)CCCN(C3CCCC3)C2)cc(C)c1Cl 585281624 NLUNBULFLQCLDI-IBGZPJMESA-N 337.891 4.105 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)N1CCc2ccccc21 413288 JHTBBJQBIPPRTN-UHFFFAOYSA-N 348.471 4.479 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccco1 1273887 SWRLFEFDMDYGQU-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB COc1ccc(-n2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 2268985 HNWYCHMGVQSJIB-UHFFFAOYSA-N 342.398 4.370 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 3156061 GXTQJUJLORLFDN-UHFFFAOYSA-N 328.165 4.363 0 40 EIAB Fc1ccc(CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 3284495 RVCIHWSGRYMNOQ-UHFFFAOYSA-N 349.818 4.469 0 40 EIAB COC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(OC)c3)n2)c1C 3324285 UUGCYEGTXHTWGL-UHFFFAOYSA-N 342.420 4.217 0 40 EIAB CCCCCCOCCOC(=O)[C@H](C)OC(=O)OCCCCCC 4411265 JSEYJWWSVIDIDA-INIZCTEOSA-N 346.464 4.249 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c(C)c1 4479461 HQLLSLYAEWYKIG-UHFFFAOYSA-N 347.418 4.485 0 40 EIAB CCc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 5273293 MDWNQQVWPKNEPX-UHFFFAOYSA-N 347.462 4.324 0 40 EIAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 6372379 BVCQNJVLHRUISG-UHFFFAOYSA-N 326.421 4.107 0 40 EIAB O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cccc(Cl)c1 7595843 UGXGGBXWJSFZBJ-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB Cc1ccccc1NC(=O)COc1c(Cl)cc(C=O)cc1Cl 8571331 WZEUIMXFKQNDKL-UHFFFAOYSA-N 338.190 4.132 0 40 EIAB CC(C)CC[C@@]1(CCNC2CCN(C)CC2)CCO[C@@H](C(C)C)C1 8992495 UOPPJLUPPAPMDX-NHCUHLMSSA-N 338.580 4.318 0 40 EIAB Cc1ccc2cccc(NC(=O)COc3ccc(Cl)cc3)c2n1 9190347 ZGXIOPPYBHFAFI-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB O=c1c(SCc2ccc(Cl)cc2)nccn1-c1ccc(F)cc1 9639629 CWXWIXYPZQNHAU-UHFFFAOYSA-N 346.814 4.317 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1 10110390 QKEYMFIGDKNEDA-KRWDZBQOSA-N 327.493 4.366 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nn1cnc2ccccc21 10402614 WAKQXPQZYRWTQI-UHFFFAOYSA-N 349.221 4.139 0 40 EIAB CC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(C)oc2c1 12601419 HSYDTQYECLGEJG-UHFFFAOYSA-N 345.354 4.242 0 40 EIAB CCN(Cc1ccc(Cl)s1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 12936220 VXVIILGBUBXKMR-LLVKDONJSA-N 347.871 4.221 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccsc1 13698094 CCCXXNMFJSPOGI-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB Cc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)s1 14199153 ZKZKZQBOXSHJIP-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 14227098 UKEVYWZXESQHLG-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB COc1cc2ccccc2cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 16962303 HXALUEWPQDMVKI-CQSZACIVSA-N 337.341 4.263 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(N)cc1 17070813 DJEIIMSIJWXHTD-JTQLQIEISA-N 336.844 4.050 0 40 EIAB COc1ccccc1NC(=O)NCCSCc1ccc(C)cc1 18179133 AWQIXHSGSYYVKC-UHFFFAOYSA-N 330.453 4.059 0 40 EIAB Oc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19323984 YUHDTDWTWWAETA-UHFFFAOYSA-N 344.458 4.409 0 40 EIAB O=C1CS[C@H](c2ccccc2Cl)N1c1ccc(F)cc1F 19927158 PKJALQVLLDWMSI-OAHLLOKOSA-N 325.767 4.397 0 40 EIAB COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)c(OC)c1OC 22784032 QREAIZIULFBXTR-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 26844442 OKHARJPETFCROM-UHFFFAOYSA-N 340.828 4.240 0 40 EIAB Cc1cc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c(C)o1 28574306 YMHUDFGFKXDCGZ-UHFFFAOYSA-N 347.777 4.186 0 40 EIAB COC(=O)c1ccc2ccccc2c1OCc1cc(-c2ccco2)on1 32905401 LZYNGFRRBGUKKE-UHFFFAOYSA-N 349.342 4.453 0 40 EIAB Cc1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1 32909983 SLUHTEHPQCISHQ-UHFFFAOYSA-N 331.456 4.329 0 40 EIAB Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccc(Cl)cc3)n2)c1 35316244 BHHHEKASARMVHX-UHFFFAOYSA-N 341.798 4.188 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N(C)Cc1ccsc1 40103636 AXDUGDPOKLFZRK-UHFFFAOYSA-N 339.258 4.483 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 44903312 NHCFGESKHHGGRZ-IRXDYDNUSA-N 341.451 4.347 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCOC1)C1CC1 48325750 RDANYJDXXIMACQ-INIZCTEOSA-N 336.435 4.386 0 40 EIAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@H](C)C2)cs1 49982619 BEVIMMAXNBLRPG-HNNXBMFYSA-N 343.496 4.368 0 40 EIAB O=C(Nc1cccnc1)N1CCc2sccc2[C@H]1c1cccs1 57768615 DHPXYHQLIPSFHW-INIZCTEOSA-N 341.461 4.384 0 40 EIAB O=C(CCSCc1ccccn1)N[C@@H]1CCSc2ccccc21 58357199 YLKYDJGZXKBAOJ-MRXNPFEDSA-N 344.505 4.058 0 40 EIAB O=C(OCCCc1ccccc1)c1cc2c(nc3sccn32)s1 58671827 UZLSJHASZRDDAT-UHFFFAOYSA-N 342.445 4.400 0 40 EIAB CCCCN1Cc2cccc(NC(=O)Cc3csc(CC)n3)c2C1 66513185 YHKHXVMPKLSPOW-UHFFFAOYSA-N 343.496 4.002 0 40 EIAB Cc1cc(CNC(=O)c2cc(Br)ccc2Cl)c(C)o1 70640404 UDHDMRBQXZQDLT-UHFFFAOYSA-N 342.620 4.242 0 40 EIAB CCCOc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1 72331735 BTEKZGMCMQCLGF-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB COc1cc(NC(=O)c2c(C)oc3ccccc23)cc(OC)c1OC 74745839 QGUYSEDNANNRKW-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB C[C@@H](C(=O)Nc1cccc(Oc2ncccn2)c1)c1ccsc1 78063472 YYVJPDGMOFHXAS-GFCCVEGCSA-N 325.393 4.073 0 40 EIAB CCC[C@@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1cc(F)ccc1C 89949759 XDSHYHWFEAJAAR-KXBFYZLASA-N 343.446 4.329 0 40 EIAB Oc1cccc([C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CCO2)c1 93457741 AQBVTORDPCORQC-QFIPXVFZSA-N 346.430 4.028 0 40 EIAB Cc1ccc2c(-c3ccccc3)nc(N3C[C@H](C)O[C@@H](C)C3)nc2c1 95115982 XBZIWRYPXVTDGX-HOTGVXAUSA-N 333.435 4.219 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)C1(C)C 95392980 CLKANWMSKSSLCR-FUHWJXTLSA-N 328.431 4.204 0 40 EIAB CC[C@@H](C)CN(C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 95958292 UBDGCTWKKUVZPP-CYBMUJFWSA-N 329.400 4.042 0 40 EIAB CCCCCN1CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 96071380 DAZKHUZVMMRBNA-HXUWFJFHSA-N 329.488 4.339 0 40 EIAB CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1C 96105046 KTHZRHZTMSWSRV-YFPIXMDGSA-N 341.476 4.234 0 40 EIAB COc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1OC 96136980 CPQXURPCYNUCGL-UHFFFAOYSA-N 347.374 4.156 0 40 EIAB Cc1nc(-c2noc3ccc(C(=O)NCc4ccccc4)cc23)cs1 96154428 JGVDUHXJOHKXAP-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB COC[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 96417985 PXUXXBXXCNVGEV-AWEZNQCLSA-N 344.386 4.118 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 96434803 POBGPZZOZZEIKX-CKEIUWERSA-N 335.517 4.057 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)nc2ccccc21 101528886 HRSBNBKHULMECU-INIZCTEOSA-N 342.830 4.015 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 102375713 IPYLRZNOWBRKOU-LPWJVIDDSA-N 337.261 4.395 0 40 EIAB COc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 102906908 DQQZHQNIUPRRIC-SCLBCKFNSA-N 344.798 4.118 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccccc1-c1cn2ccccc2n1 206897972 GIOLGBGCZZBFLW-UHFFFAOYSA-N 345.377 4.322 0 40 EIAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccccc1Cl 216748584 RLEQFXODGSOGJY-UHFFFAOYSA-N 327.767 4.135 0 40 EIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222823736 DUBVQFOPSKGQRX-DLBZAZTESA-N 342.512 4.019 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc(C)c(C)c1 224477221 ARPBAPWHFZFCHR-UHFFFAOYSA-N 349.430 4.274 0 40 EIAB CCOc1ccccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225105359 MIOSVVSXRGOTBT-FQEVSTJZSA-N 336.387 4.313 0 40 EIAB Fc1cccc(-c2ccc(CNc3nnc([C@H]4CCCO4)o3)o2)c1F 225622106 VRKHPPKEVDPHPM-CQSZACIVSA-N 347.321 4.071 0 40 EIAB COc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1OC 225850071 ZGSCTEARYPITRL-UHFFFAOYSA-N 346.452 4.053 0 40 EIAB CC(C)C[C@H]1CCCN(C(=O)c2cc(O)ccc2C(F)(F)F)C1 622433925 UDFBKQJISQPIGV-GFCCVEGCSA-N 329.362 4.309 0 40 EIAB CC1(C)CC[C@H](NC(=O)CCc2ccon2)[C@@H](c2ccccc2)C1 634525614 ZLLLDBXJYPXHLX-MSOLQXFVSA-N 326.440 4.086 0 40 EIAB COc1cc(CCNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)ccc1Cl 1564539311 WHWXWAVGJIWRRT-GZBFAFLISA-N 338.879 4.015 0 40 EIAB COc1ccccc1-n1c(-c2ccccc2)nc2ccccc2c1=O 127353 SUQHPFPBDKEICZ-UHFFFAOYSA-N 328.371 4.061 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C)C2 127445 VCVNTURQCBWDAC-LLVKDONJSA-N 328.437 4.084 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)C2CCCCC2)CSC3)cc1 190348 XSBPBLIXVIAMRH-UHFFFAOYSA-N 341.480 4.446 0 40 EIAB CCCC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 365523 XMVYQBKLFKDMRG-UHFFFAOYSA-N 334.778 4.470 0 40 EIAB COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1OC 817740 RAMWIXXACUXTCL-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB OC([C@@H](c1ccccc1)c1ccccn1)(C(F)(F)F)C(F)(F)F 1623529 MZKFAGUFRUEPCT-LBPRGKRZSA-N 335.247 4.069 0 40 EIAB OCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 1926894 IXQGGHHPDQESLZ-UHFFFAOYSA-N 330.815 4.041 0 40 EIAB CCCCOC(=O)CNc1nc(-c2ccccc2)c2cc(C)ccc2n1 2233385 MYZYCEIZEIRRNM-UHFFFAOYSA-N 349.434 4.360 0 40 EIAB Fc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2471869 DOUNKNPLRLVWTH-CABCVRRESA-N 346.768 4.356 0 40 EIAB O=C(O)c1ccc(-c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 2633425 YSLVSHXCUREOBY-UHFFFAOYSA-N 348.383 4.017 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)o2)n1 2764569 CWAIBKJFJDEKSR-UHFFFAOYSA-N 347.777 4.186 0 40 EIAB COc1ccccc1CC(=O)Nc1cc(C(C)(C)C)ccc1OC 3552056 UFOPBWYVUOLEPI-UHFFFAOYSA-N 327.424 4.183 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 3606826 IXNQNZQBXXATJH-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB CCCC[C@H](CC)CNS(=O)(=O)c1cc(Cl)ccc1Cl 4659137 VVYGRXJWHDHGLU-NSHDSACASA-N 338.300 4.488 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2)CC1 4662524 MAKLMFABABHANH-UHFFFAOYSA-N 330.472 4.045 0 40 EIAB Cc1ccccc1C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 4696548 MTJVCNGTZGNANB-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc3c(c2)OCCO3)cc1 5856949 GZTFUVZVLYUPRG-WDZFZDKYSA-N 337.419 4.407 0 40 EIAB Cc1ccc(NC(=O)NC2CCCC2)cc1NC(=O)NC1CCCC1 6301559 YSGNDROGFZJVCM-UHFFFAOYSA-N 344.459 4.123 0 40 EIAB COc1ccc(CNCc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 7541260 GVMPSTZBLBPSKY-OAHLLOKOSA-N 337.419 4.298 0 40 EIAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1COc2ccccc2O1 7735205 OECYSUWKJNCDRT-HXUWFJFHSA-N 345.354 4.365 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC(F)F 7886438 AAIIVZCHIAKPDE-INIZCTEOSA-N 332.350 4.265 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 8273856 WJQMTHUFGPXIAR-INIZCTEOSA-N 347.462 4.299 0 40 EIAB C[C@H](Nc1ccccc1)C(=O)Nc1ccc(Br)cc1F 8720400 JZNWZDBBWJUQAF-JTQLQIEISA-N 337.192 4.027 0 40 EIAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(OC)c1 9315296 PJHUWMVDBKPNET-UONOGXRCSA-N 331.799 4.099 0 40 EIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 9764305 FPVIINFHFKYRCA-IBGZPJMESA-N 347.414 4.365 0 40 EIAB Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 10351396 PUULBRQUVRGLCM-DJJJIMSYSA-N 344.405 4.341 0 40 EIAB CCCOc1ccc2cc(C(=O)c3ccc4c(c3)CCC(=O)N4)oc2c1 11158378 OOTZJVLJHOLWSD-UHFFFAOYSA-N 349.386 4.337 0 40 EIAB CC(C)COc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 11917115 GVGADUSXLRXHNI-UHFFFAOYSA-N 343.408 4.085 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(F)ccc3Br)ccc2o1 12882393 ADNVLTIZKDNBIF-UHFFFAOYSA-N 349.159 4.290 0 40 EIAB C[C@H](SCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 12972620 QCKDXRUKJMUUOO-AWEZNQCLSA-N 343.448 4.281 0 40 EIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)ccc2C)cc1 12974780 RHNQLFGWZVXJNT-HXUWFJFHSA-N 338.451 4.088 0 40 EIAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN12 13770327 MPGFHMWXMINLQJ-IEBWSBKVSA-N 342.439 4.448 0 40 EIAB Clc1nc2ccccc2cc1CSc1nnnn1C1CCCC1 14114401 WFRLPOWPZAZMOL-UHFFFAOYSA-N 345.859 4.282 0 40 EIAB CCOc1ccc(OCC)c(NCc2nc3ccccc3nc2C)c1 16689310 MYVDGKNNVUNLOJ-UHFFFAOYSA-N 337.423 4.348 0 40 EIAB COc1ccc(CN2CCCCC[C@H]2c2cc(C)no2)c(OC)c1 19120282 VHRBOVHKOMCDHD-KRWDZBQOSA-N 330.428 4.118 0 40 EIAB O=C(Nc1cccc(Br)c1)c1cccc2cccnc12 19169154 KYQQNOYQUSWKHS-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(OC)cc1 20456529 RLVGTSWPXKZLLR-LJQANCHMSA-N 341.451 4.128 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(C)=O)cc1 20481315 XRYPEBQGSZWBMY-INIZCTEOSA-N 346.814 4.095 0 40 EIAB O=C(CCC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)CCCC2 21897739 RVWNQSIUDHRNEZ-UHFFFAOYSA-N 347.458 4.113 0 40 EIAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCCC2 23954668 NJWBZAQJIRGULL-LBPRGKRZSA-N 329.827 4.415 0 40 EIAB Cc1cccnc1NC(=O)COC(c1ccccc1)c1ccccc1 27651083 YUPSJPDTLFTGFD-UHFFFAOYSA-N 332.403 4.135 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccccc3)no2)cc1C 27794244 QWLSONHRFOJFOK-HNNXBMFYSA-N 336.391 4.364 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc2ccccc2s1 28226995 VPMKNSOQAIGZJF-LBPRGKRZSA-N 338.432 4.191 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccco3)c(C)c2c1 32594239 BKEIKSPJPVLNRQ-UHFFFAOYSA-N 335.363 4.140 0 40 EIAB Cc1ccc(CN(C)C(=O)c2csc(-c3ccc(C)o3)n2)cc1 32680615 AFOMQSWCRHTRSE-UHFFFAOYSA-N 326.421 4.292 0 40 EIAB Cc1ccc(CC(=O)NCc2cccc(COCc3ccco3)c2)cc1 32915069 IVAIZXPIMSCCQB-UHFFFAOYSA-N 349.430 4.164 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 35023339 WCDKJXUJAFXWJF-UEXGIBASSA-N 339.479 4.356 0 40 EIAB COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccsc2)cc1 35325487 XLOUBGPMIJYYDY-CYBMUJFWSA-N 342.445 4.354 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c(C)c1 36611895 YVNLKKCXSGQVAK-MRXNPFEDSA-N 346.789 4.228 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccco2)n1 36729002 AWSFQVDQACFRRB-CYBMUJFWSA-N 326.421 4.165 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Br)c2)cn1 38538323 CNPDQFQHMJQXIY-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB O=C(CCC1CCCC1)Nc1nn2c(C3CCCCC3)nnc2s1 41108807 QDBSGUPKRHJDCS-UHFFFAOYSA-N 347.488 4.142 0 40 EIAB Cc1sc2nc([C@H](C)N[C@@H]3CCC[C@H](C)[C@@H]3C)[nH]c(=O)c2c1C 41863595 ARUUIBKLJBLXSB-JYYRZZBQSA-N 333.501 4.077 0 40 EIAB C[C@@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1cccnc1 44951414 BTXXTURTBNVIJF-ABAIWWIYSA-N 347.871 4.332 0 40 EIAB C[C@@H](NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1 45822183 UAALOHNFINEOEM-GFCCVEGCSA-N 330.378 4.164 0 40 EIAB CCOc1cc2ccccc2cc1C(=O)N[C@H]1CCOc2ccccc21 48289492 QGWITUNOVYJTKH-IBGZPJMESA-N 347.414 4.492 0 40 EIAB CC(=O)Nc1ccc(OC(=O)c2csc(-c3ccsc3)n2)cc1 58096702 DUYDBRZJWWNDCI-UHFFFAOYSA-N 344.417 4.049 0 40 EIAB CC[C@@H](CO)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12 58540920 KNOMMCFMEBSBMY-AWEZNQCLSA-N 339.464 4.419 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 71857417 QWHBTGFIHDYPJW-UHFFFAOYSA-N 332.322 4.401 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 72214634 HIVVOQJZYOAFKF-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB CCc1nccn1-c1cccc([C@H]2CCCN(C3CCCCC3)C2)n1 72379144 DCPGEWMQOIZPSS-KRWDZBQOSA-N 338.499 4.342 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc2ncccc2c1 75584156 UGONRJAKCQVJCX-IBGZPJMESA-N 334.467 4.354 0 40 EIAB C[C@@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccs1 78089337 VBYOVZBABQIPBM-ABAIWWIYSA-N 341.436 4.218 0 40 EIAB CCSc1ccc(Cl)cc1C(=O)Nc1nc(COC)cs1 84111955 NWPANNCNGKGPFM-UHFFFAOYSA-N 342.873 4.307 0 40 EIAB C[C@H](NC(=O)N(CC1CC1)CC1CC1)c1ncc(-c2ccccc2)o1 95399922 IXHCLDWLRPDLDD-AWEZNQCLSA-N 339.439 4.234 0 40 EIAB Fc1cccc(CN2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c1 96073456 ARIKQSHOUPLRAL-CTNGQTDRSA-N 325.427 4.364 0 40 EIAB Cc1nn(-c2ccccc2)c2c1CN[C@@H](c1ccccc1)c1cccn1-2 96077916 HJNYEWOKIPVJSM-NRFANRHFSA-N 340.430 4.164 0 40 EIAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(C)=O)c2)s1 96433687 RPVWTOPBKHMNHY-GFCCVEGCSA-N 345.468 4.441 0 40 EIAB CCN1C(=O)[C@H](Cc2cccc(C)c2)c2cc(Br)ccc21 101014235 RRENEEYNYDYLDB-MRXNPFEDSA-N 344.252 4.450 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccccc1Cl 138833911 JCOUVXFJTMRARB-CYBMUJFWSA-N 334.872 4.402 0 40 EIAB O=C(Cn1ccc2ccccc21)NCc1cncc(-c2ccsc2)c1 206946574 SCMLTSQYAWHPEU-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB COC(=O)c1c(C)n(C(=O)c2ccccc2Cl)c2ccccc12 216952860 LHUZJOZPDSEEGR-UHFFFAOYSA-N 327.767 4.078 0 40 EIAB COc1ccc(-c2nnsc2C(=O)OC2CCCCCC2)cc1 223836371 WRGRWCBUWZXXQD-UHFFFAOYSA-N 332.425 4.093 0 40 EIAB Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)c(C)c1 225841749 RHBZAOYRKDVEJZ-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB COc1cccnc1NC(=S)NC1(c2cccc(C)c2)CCCC1 225875230 WZHVEQSPIDGWLP-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c2ncccc12 225895531 RBAJPVTTXYNNKL-LJQANCHMSA-N 330.428 4.167 0 40 EIAB O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1 500900793 TZNKAGOHDABQEE-JKSUJKDBSA-N 335.407 4.126 0 40 EIAB COc1ccc(C)c2sc(N3CC[C@@H](c4ccccn4)C3)nc12 2298086661 KZXBEUUNKHFFJQ-CYBMUJFWSA-N 325.437 4.002 0 40 EIAB CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OC)cc12 348640 PFGPEZQFACFRKN-UHFFFAOYSA-N 337.419 4.378 0 40 EIAB CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(NC(C)=O)cc1 506704 RSYOALNNZCKYHE-UHFFFAOYSA-N 337.423 4.234 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 884374 NYLPGRLOHDSBJZ-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 1388493 MVDDNTWUXRKXKA-MRXNPFEDSA-N 327.815 4.343 0 40 EIAB CCCCSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 2237471 PKGYKHGMWPSRGK-LLVKDONJSA-N 337.514 4.263 0 40 EIAB O=C(Nc1ccccc1OC(F)F)c1cnc(Cl)c(Cl)c1 2663448 VWRGHVSYXAEVCD-UHFFFAOYSA-N 333.121 4.242 0 40 EIAB CSc1ncccc1C(=O)OCc1c(Cl)cccc1Cl 3249989 QKRWEYNCPLZVLG-UHFFFAOYSA-N 328.220 4.467 0 40 EIAB CCCCc1ccc(NC(=O)COc2ccccc2NC(C)=O)cc1 3303042 UNTWWQGAIHQDGJ-UHFFFAOYSA-N 340.423 4.005 0 40 EIAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C(C)C)c12 3339706 VNVFIJAMBNIOGV-UHFFFAOYSA-N 330.771 4.453 0 40 EIAB CCc1cccc2sc(NC(=O)c3ccc(OC)cc3OC)nc12 4325761 FZDZXGCNKGFZNO-UHFFFAOYSA-N 342.420 4.128 0 40 EIAB Cc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)nn1Cc1ccc(F)cc1 4785377 HHTMCDYGMLPOFK-BBWFWOEESA-N 341.430 4.144 0 40 EIAB CCC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 4901682 YBNVBXWPBLRSJT-FQEVSTJZSA-N 338.451 4.046 0 40 EIAB CCn1cc(NC(=O)Nc2ccc(OC)cc2OC)c2ccccc21 5266181 YUGNSZCJDOCKPM-UHFFFAOYSA-N 339.395 4.322 0 40 EIAB C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)CC(C)(C)CC1=O 5274386 WEOIUSWZPPNLHG-STXHMFSFSA-N 339.479 4.038 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 5672353 GEKOTOTWJOXMJN-UHFFFAOYSA-N 349.386 4.277 0 40 EIAB Cc1sc2nc(-c3cccnc3)nc(NCc3cccnc3)c2c1C 5701720 KQLFQMVMMUOKAB-UHFFFAOYSA-N 347.447 4.377 0 40 EIAB Cc1ccc(-c2nnc(S[C@@H](C)c3ccccc3Cl)n2N)cc1 6652283 PXYDTDZXMIQDRS-LBPRGKRZSA-N 344.871 4.474 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 6790684 AWWSNJZVJBCJKE-UHFFFAOYSA-N 341.461 4.103 0 40 EIAB CCCSc1ncc(Cl)c(C(=O)Oc2ccc(C)cc2C)n1 6810527 ZWPYIEDWPUOEHV-UHFFFAOYSA-N 336.844 4.468 0 40 EIAB C[C@@H](Sc1ncnc2ccccc12)C(=O)c1ccc2c(c1)CCC2 6849709 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Cc1ccccc1OCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 12748042 IZVLAUIROBWLTQ-UHFFFAOYSA-N 346.430 4.171 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 14013609 WRNTZIUDMBIJJW-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 14244465 DFTBOQNNKBDRTO-SNVBAGLBSA-N 337.192 4.471 0 40 EIAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCC(C)CC3)ncnc21 15880911 BXLYHHUSVRXLET-UHFFFAOYSA-N 341.846 4.014 0 40 EIAB O=C(CSc1cccc2cccnc12)c1cc2ccccc2oc1=O 16525590 PTHYRQVRDKSMBB-UHFFFAOYSA-N 347.395 4.316 0 40 EIAB Cc1ccc(SCCNC(=S)Nc2ccc(F)cc2F)cc1 18138941 HAPMNAJCBPVTCK-UHFFFAOYSA-N 338.448 4.352 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 18146132 VNJWARKBEPNOEI-RTBURBONSA-N 333.387 4.243 0 40 EIAB Fc1cccc(Nc2noc3c2CN(Cc2ccccc2F)CC3)c1 19349330 LHACZBGKLMLOFV-UHFFFAOYSA-N 341.361 4.255 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)CCc1ccccc1 20042646 TXRUTKIOFTXQRT-YLJYHZDGSA-N 325.452 4.290 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 23113966 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CCOc1ccc(CCC(=O)Oc2ccc3c(c2)CCCC3=O)cc1 65538164 VCWNNAFCSMMBCJ-UHFFFAOYSA-N 338.403 4.143 0 40 EIAB COc1cc(NC(=S)Nc2cccc(SC)c2)cc(OC)c1 71761284 XGKJXKJCIKBQOF-UHFFFAOYSA-N 334.466 4.235 0 40 EIAB CC(C)c1noc(CNc2ccc(OC(F)F)cc2OC(F)F)n1 71795710 BYUFAOFCIQAIQQ-UHFFFAOYSA-N 349.284 4.008 0 40 EIAB Cc1ccccc1CN(C)C(=O)CN(C)[C@H](C)c1ccccc1Cl 71954398 ZINWHTRMBABYGB-MRXNPFEDSA-N 344.886 4.300 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cccc(Cl)c2)C1 72403174 TYZSPIVKWBXACX-AWEZNQCLSA-N 327.771 4.301 0 40 EIAB O=C(O)c1ccc2nc(-c3cccc(Br)c3)sc2c1 73740418 HCEABQREHTYZBK-UHFFFAOYSA-N 334.194 4.424 0 40 EIAB COc1cc(OC)c2nc(C)cc(Nc3ccc(C(=O)O)cc3)c2c1 78401726 HGJPHVBEHZBVJO-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB C[S@@](=O)c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 85298487 OUHROZZAPCETEG-DHLKQENFSA-N 349.499 4.498 0 40 EIAB COc1ccc(COCc2cccc(NCc3cscn3)c2)cc1 89444069 HVHBDNQSKHQSMW-UHFFFAOYSA-N 340.448 4.481 0 40 EIAB CCc1ccc(C(=O)c2ccc(NCc3nnc(C(C)C)o3)cc2)o1 95426053 LROYEADXQMJMDR-UHFFFAOYSA-N 339.395 4.192 0 40 EIAB C(=C/c1nc(-c2cccnc2Oc2ccccc2)no1)\c1cccnc1 96406046 CHWQLKKFEFMWKK-ZHACJKMWSA-N 342.358 4.489 0 40 EIAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccc(Cl)s1)n2C 100819158 SBJWMKOALINVEN-BMRADRMJSA-N 336.869 4.313 0 40 EIAB Cc1ccc2c(CN[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2c1C 103253606 WDMNAJCSKSYSCM-FPXQBCRKSA-N 325.452 4.324 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 103479335 IPYLRZNOWBRKOU-ZDEQEGDKSA-N 337.261 4.395 0 40 EIAB COc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H](OC)C2)c1 171895376 XYUFZGJVCCFENK-QGZVFWFLSA-N 340.423 4.005 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223147016 YZRDKMALAKTLBV-ZDUSSCGKSA-N 329.827 4.085 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224196436 KMPIHCCOGDYFDF-UHFFFAOYSA-N 341.451 4.373 0 40 EIAB COc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2)cc1 225308386 GYGDQNGGOXQSJQ-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB COc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1F 225396334 HQWCLNXVIPRGDK-UHFFFAOYSA-N 337.394 4.350 0 40 EIAB Cc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCCC2)cc1N 225426315 WUCPLLCOOPZZBZ-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB CCOc1ccccc1NC(=S)NCCCc1ccc(OC)cc1 225555959 XEFAHIOBCLVTIA-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)Cc1cccc(Br)c1 225625074 WPOIKCCOTQHWPX-UHFFFAOYSA-N 346.268 4.129 0 40 EIAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(F)(F)F 225807063 NMCASVLNAOZNPU-ZBEGNZNMSA-N 345.361 4.248 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([C@H](C)O)cc1 226273301 NJPLPHDANNQGSG-VIFPVBQESA-N 340.206 4.308 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N)c1 226348088 KFWHMTMICWOWDY-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c(C)c1 226861670 ICEVHJHGONXDTE-UHFFFAOYSA-N 337.444 4.356 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 243758555 QAKNENDGDCXUKE-AOLWHUPESA-N 341.480 4.068 0 40 EIAB COc1ccc(CNC(=O)Cc2cn(C(C)C)c3ccccc23)cc1 334160577 HVJBMOHLKCGXGH-UHFFFAOYSA-N 336.435 4.090 0 40 EIAB Cc1csc(C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1 390827767 JZIBKKWXCHEDHM-UHFFFAOYSA-N 341.461 4.278 0 40 EIAB Clc1ccc(C2=C[C@H](c3ccccc3)N3NC=NC3=N2)cc1Cl 409059001 QEKUNZIAZMAIBG-MRXNPFEDSA-N 343.217 4.294 0 40 EIAB CC(C)(NCc1csc(-c2ncccn2)n1)c1cccc(Cl)c1 539315601 YUAYZUOVAUZRCV-UHFFFAOYSA-N 344.871 4.278 0 40 EIAB O=Cc1c(O)ccc(OCc2ccccc2)c1OCc1ccccc1 1542984518 ZFZPALMSOKANBE-UHFFFAOYSA-N 334.371 4.363 0 40 EIAB CN(C)CCN(Cc1ccccc1)c1nc2cccc(F)c2s1 1559132259 HFLLXETWJAPWEO-UHFFFAOYSA-N 329.444 4.004 0 40 EIAB CC(C)(C)OC(=O)N[C](CC(=O)O)Cc1ccc(Cl)cc1Cl 1560408628 BNJHNZXENNRTEY-UHFFFAOYSA-N 347.218 4.067 0 40 EIAB O=C(NC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)s1 1641199554 LNHRCUNMLUWBTI-AWEZNQCLSA-N 331.824 4.018 0 40 EIAB CCN(C1CCCCC1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 2037958864 MJKHDHQPJIJHDH-XUVXKRRUSA-N 335.463 4.141 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1cc(C)ccc1C)NCC2 34556 BQUZKRJMXYYSDY-NRFANRHFSA-N 325.452 4.336 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1OCC 147416 ZOLBNDDPAXMZKF-ACCUITESSA-N 341.407 4.145 0 40 EIAB CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)cc12 284553 YLFJOTVIDFVLRZ-UHFFFAOYSA-N 329.783 4.475 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1Br 362835 RIUJTDWTXWBROD-UHFFFAOYSA-N 340.604 4.120 0 40 EIAB Cc1sc2ncnc(SCC(=O)N[C@H]3CCCC[C@H]3C)c2c1C 422601 QWEFXCZNLYDPKO-MFKMUULPSA-N 349.525 4.095 0 40 EIAB CC(=O)c1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 426616 RRFKKYPQIWITSK-CQSZACIVSA-N 340.423 4.281 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1OCC 503929 RVIDAIJEYKGRSD-UHFFFAOYSA-N 340.379 4.210 0 40 EIAB CCC(=O)Nc1c(-c2ccccc2Cl)c(=O)c2ccccc2n1C 2197479 TZYJBBDBCVTNJN-UHFFFAOYSA-N 340.810 4.207 0 40 EIAB CCCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCC2 2749836 DXYYQZHSJUSACC-UHFFFAOYSA-N 347.436 4.347 0 40 EIAB Cc1cccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)c1 3330397 FJHRBNCXNWCGIH-UHFFFAOYSA-N 338.234 4.387 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c(Cl)c1 3512341 BNUUKVFRBBYIEN-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 4026235 RNKRHMVSDHMQGT-WCLQXYBISA-N 326.436 4.346 0 40 EIAB biogenic S=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1cccs1 4059450 HYADCKGBAXLVGN-QGZVFWFLSA-N 339.489 4.352 0 40 EIAB O=C(c1cccs1)N1CCN=C1SCc1ccc(Cl)cc1 4120084 WFPBJDWZOQHIMY-UHFFFAOYSA-N 336.869 4.147 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 4305515 VLOKMONUPUXPIS-LJQANCHMSA-N 348.471 4.282 0 40 EIAB COc1cccc2c1O[C@@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 4539978 OVYZWXVFOUTKAI-ZBEGNZNMSA-N 328.799 4.238 0 40 EIAB Clc1ccccc1/C=C/c1nn2c(-c3ccncc3)nnc2s1 4540217 ZKOHDUUILPWIOJ-AATRIKPKSA-N 339.811 4.072 0 40 EIAB Cc1cc(NC(=O)CCc2ccccc2)ccc1N1CCCCC1=O 5441361 RVAHBUIGRZXQNZ-UHFFFAOYSA-N 336.435 4.083 0 40 EIAB O=C(OCc1ncc(-c2ccccc2)o1)c1c(F)cccc1Cl 5872517 SRILAZDDSPDVQF-UHFFFAOYSA-N 331.730 4.491 0 40 EIAB Cc1ccc(CN(C)C[C@@H](O)COc2ccc3ccccc3c2)cc1 6083447 QXFGNIAWGPBCAC-OAQYLSRUSA-N 335.447 4.020 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2cc1O 6083476 MRYWLTTUOHDULX-UHFFFAOYSA-N 325.795 4.471 0 40 EIAB CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6378870 GFOMFROIIBQABZ-UHFFFAOYSA-N 348.362 4.243 0 40 EIAB CCCC(=O)c1cn(CC(=O)N2CCCC[C@H]2C)c2ccccc12 6569710 RVAFYIKDHOFALF-OAHLLOKOSA-N 326.440 4.025 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CCSc1ccc(F)cc1 6652450 FWORWUPFGNCVAJ-ZDUSSCGKSA-N 333.428 4.194 0 40 EIAB O=C(/C=C/c1cccc(Cl)c1)OCC(=O)c1c[nH]c2ccccc12 6835595 SDCOVPKSVAEWQG-CMDGGOBGSA-N 339.778 4.261 0 40 EIAB O=C(Nc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8280130 ULZBHAZQDVKMRP-QGZVFWFLSA-N 338.407 4.217 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccc(C)cc1 8558442 FBCGKWKNVWJZDA-LJQANCHMSA-N 343.492 4.202 0 40 EIAB COc1cccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)c1 9478543 LSEWQOHCQPDHFH-HNNXBMFYSA-N 341.436 4.144 0 40 EIAB O=C(NOCc1ccccc1)c1cc2c(s1)-c1ccccc1CC2 9855181 NSVTXJCSWQDXOF-UHFFFAOYSA-N 335.428 4.375 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3)c(=O)oc2c1 11595026 PTIKZYUQZUVKRZ-UHFFFAOYSA-N 339.366 4.120 0 40 EIAB C[C@H](O)c1nc2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 12627948 ZWDYYHUGIACZJP-VIFPVBQESA-N 335.190 4.085 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(Cl)c1 12749019 YDVIKTGVVSKTQU-AWEZNQCLSA-N 345.826 4.459 0 40 EIAB Cc1ccc(CCCNC(=O)c2ccccc2Br)cc1 13647447 FQWQPHMNQIQPNR-UHFFFAOYSA-N 332.241 4.120 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c(OC)c1 13930888 YDYBPQDVZSINQJ-AWEZNQCLSA-N 344.480 4.368 0 40 EIAB COc1ccc(-n2ncc3c2C[C@H](c2cccc(C)c2)CC3=O)cc1 14164179 NGZLYEKFIAOZMD-INIZCTEOSA-N 332.403 4.102 0 40 EIAB O=C1C[C@H](c2cccc(F)c2)c2sc(Nc3ccccc3)nc2N1 15110016 BKOGAQMXKCKQOR-CQSZACIVSA-N 339.395 4.500 0 40 EIAB Cc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)c2ccccc2n1 15375274 PRMWFEWUFQAQQR-UHFFFAOYSA-N 343.386 4.086 0 40 EIAB O=C(Nc1cccc2cccnc12)[C@@H]1COc2ccc(Cl)cc2C1 15612027 DLOKRBWSFJPNJW-AWEZNQCLSA-N 338.794 4.078 0 40 EIAB FC(F)(F)c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 15924170 AEPVWAAMUKUJTP-UHFFFAOYSA-N 328.146 4.423 0 40 EIAB Cc1ccccc1Nc1nc(NC2CCCCC2)nc2c1cnn2C 17136017 JMKCTKWEJNXLSX-UHFFFAOYSA-N 336.443 4.160 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C)cc1 20040895 DQOGQKLGIKPHLS-BEFAXECRSA-N 327.424 4.038 0 40 EIAB CCOc1cccc(CNC(=O)CSc2ccc(Cl)cc2)c1 20112304 ITPNJLCNKXMHMZ-UHFFFAOYSA-N 335.856 4.147 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 20142142 IYZXWRNEBYOOKW-ZDUSSCGKSA-N 327.380 4.123 0 40 EIAB C[C@@H](NCc1cccc2cccnc12)c1ccc(-n2ccnc2)cc1 23625028 ZJKQOGCKAOYQDK-MRXNPFEDSA-N 328.419 4.271 0 40 EIAB Cc1cccc(-n2ccnc2SCC(=O)c2ccc(F)cc2)c1 26046221 DJVSHICHRFTMFP-UHFFFAOYSA-N 326.396 4.295 0 40 EIAB Cc1ccc(C(=O)C2CCN(Cc3c(C)noc3C)CC2)c(C)c1 26639654 SKMYJJQHMDLAHL-UHFFFAOYSA-N 326.440 4.003 0 40 EIAB COc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1 32544543 ATVTXWBBQLPFHR-UHFFFAOYSA-N 335.285 4.281 0 40 EIAB CCc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2C)s1 32930303 MVWITAZRLNITMI-UHFFFAOYSA-N 328.412 4.236 0 40 EIAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccccc1F 36359782 VUOSRTDVCDBLLO-CYBMUJFWSA-N 337.354 4.144 0 40 EIAB COc1ccc(CN(C(=O)c2cc(C)nc3ccccc23)C2CC2)cc1 36783973 WWBJHVIVTIPHHZ-UHFFFAOYSA-N 346.430 4.357 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1C 38755171 XJWCYCBLFKMZHC-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB CCOc1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)ccc2c1 41091996 QLBRMHOVAXIVSZ-LIRRHRJNSA-N 347.480 4.096 0 40 EIAB Clc1nc2c(Br)cc(Br)cc2s1 43220509 ICDJWAROGHMGPR-UHFFFAOYSA-N 327.428 4.475 0 40 EIAB CN(Cc1ccc(O)cc1)C(=O)c1cccnc1SC1CCCC1 56541991 ANUCLWGAQXIEDO-UHFFFAOYSA-N 342.464 4.094 0 40 EIAB CC(C)[C@@H](NCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 57562965 GHJAWHRYKCONAR-GOSISDBHSA-N 334.822 4.405 0 40 EIAB COc1ccc(OC)c(-c2csc(-c3cccc(C(=O)O)c3)n2)c1 58356668 CSAWBHWBMHYPCD-UHFFFAOYSA-N 341.388 4.193 0 40 EIAB C[C@H]1CN(C(=O)c2cccc3ccccc23)C[C@@H](c2ccccc2)O1 58427124 SLOUOPQKWSRCJR-KKSFZXQISA-N 331.415 4.442 0 40 EIAB CC(C)c1noc(C2(NC(=O)CCC3CCCC3)CCCCC2)n1 65257776 ONTILCBPUGKAPK-UHFFFAOYSA-N 333.476 4.439 0 40 EIAB Cc1ccc(-c2noc(C[S@@](=O)Cc3ccccc3Cl)n2)cc1 69350876 RQQVEWPNHSTTRI-HSZRJFAPSA-N 346.839 4.147 0 40 EIAB CCOc1ccccc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 71841890 XBIRNCUVMUCMQA-ZWKOTPCHSA-N 339.435 4.188 0 40 EIAB O=C(Nc1ccc2oc(=O)ccc2c1)c1c(Cl)cccc1Cl 80582888 KXBHGSKJGIYAGX-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB COc1cccc2cc([C@H](C)NCc3ccc([S@](C)=O)cc3)oc12 85299263 MJVYCTUFHLBTKM-RKNYENMMSA-N 343.448 4.030 0 40 EIAB Cc1csc(-c2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2)n1 89867354 DLPUSNHQZGQXKP-UHFFFAOYSA-N 327.413 4.102 0 40 EIAB Cc1nc(-c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)cs1 95396820 GZLDOEDHIHYAEK-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c(C)c1 95998821 UQHFZRVUAHZJML-MRXNPFEDSA-N 328.416 4.144 0 40 EIAB O=C(NC[C@@H](O)c1ccsc1)Nc1cc(-c2ccco2)ccc1F 96435477 ADWMBAKNGNYQPH-OAHLLOKOSA-N 346.383 4.002 0 40 EIAB O=C(CCc1ccc(Cl)s1)NC[C@H]1CCOc2ccccc21 108736152 BDXALZCGYVBXMO-GFCCVEGCSA-N 335.856 4.017 0 40 EIAB C[C@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccs1 194945075 TVDLNMZMFCOIGO-ZDUSSCGKSA-N 345.439 4.112 0 40 EIAB Cc1oc(-c2ccsc2)nc1C[S@](=O)CCc1cccs1 195579382 TZWMQXIQUSKLKC-OAQYLSRUSA-N 337.491 4.264 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1 207991049 JGSYMKHPEZKPPA-HHNLSAEISA-N 340.854 4.138 0 40 EIAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1C 211505262 NFHVZSARLJWWKT-YBEGLDIGSA-N 341.388 4.363 0 40 EIAB NCCCNc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 222683755 SKPCOAUAIRFBRC-UHFFFAOYSA-N 327.815 4.441 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1ccc(OC)cc1 222976034 IUHBTHSOEOXTKE-FQEVSTJZSA-N 341.451 4.128 0 40 EIAB CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC1CCCCC1 225033939 NRLXLZSEQGMAJN-IBGZPJMESA-N 344.499 4.043 0 40 EIAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1cccc2c1CCCC2 225320578 RKMDSZLLGRHYQI-QGZVFWFLSA-N 337.463 4.381 0 40 EIAB O=C(c1ccc(-c2ccsc2)cc1)N1[C@H]2CC[C@H]1c1cncnc1C2 225671652 QKLLGUCPOWUKML-LPHOPBHVSA-N 347.443 4.107 0 40 EIAB Cc1cccc([C@H](NC(=S)Nc2ccncc2)c2ccccc2)c1 225701768 SARBNAFCRBAISZ-LJQANCHMSA-N 333.460 4.466 0 40 EIAB CCO[C@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@H](C)C1 225901060 OXETXLGTHPOHQY-VBKZILBWSA-N 342.439 4.167 0 40 EIAB CCN(C[C@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 245318979 YOJGDBUKZJWVEZ-BOFXEDATSA-N 337.548 4.233 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCCc1ccc(-c2ccoc2)s1 390831844 VJWGTSDMJWOUES-CQSZACIVSA-N 341.432 4.134 0 40 EIAB CN(Cc1ccsc1)C(=O)C(C)(C)c1cc(C(F)(F)F)ccn1 1616040518 NVKHCDUAMCXHQE-UHFFFAOYSA-N 342.386 4.098 0 40 EIAB CCc1ccc2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc2c1 421620 VJDLBQPTSVUUEP-SFHVURJKSA-N 337.810 4.305 0 40 EIAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(C)c(C)c3)noc1-2 426649 DAIQHMTXAAZHPO-UHFFFAOYSA-N 348.402 4.318 0 40 EIAB C[C@]12C[C@H](NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2 427440 FOQKVBWGKLXQOR-LPHOPBHVSA-N 342.826 4.148 0 40 EIAB O=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1 482481 KWHAXEQFEJTDSJ-UHFFFAOYSA-N 349.361 4.340 0 40 EIAB O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)c(F)c1 993760 HSBKIBMJLQTJOS-UHFFFAOYSA-N 336.775 4.351 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(CC)cc1)C2 1369853 PBPZLSSNOGQANV-RTBURBONSA-N 345.556 4.331 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(-c2cc(C)ccc2C)o1 4517427 JNMYDURCDHPYHQ-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB Clc1ccc(OCc2ccccc2)c(CNC[C@@H]2CCCO2)c1 4657494 VBMPONWIUCXWGW-SFHVURJKSA-N 331.843 4.188 0 40 EIAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854339 YBWJMJFPZRDGGM-IBGZPJMESA-N 341.430 4.075 0 40 EIAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 5689795 GWLLZGNRXPCJLR-MRXNPFEDSA-N 342.826 4.009 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)[nH]n3)c3ccccc3n2)cc1 5696253 KJZPTPWEZCYETK-UHFFFAOYSA-N 342.402 4.494 0 40 EIAB COC(=O)c1sc2nc(C)nc(NC3CCCCCC3)c2c1C 6587670 YHTZYRKOOHKKQV-UHFFFAOYSA-N 333.457 4.229 0 40 EIAB O[C@](c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F 6590350 BKUMAGSGDZLWQD-INIZCTEOSA-N 332.281 4.107 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1Cl)S[C@@H](C)C(=O)N2 6679364 CAYCNNAUTLTMPL-JVXZTZIISA-N 342.251 4.188 0 40 EIAB CCn1c(C2CC2)nn(CN2CC=C(c3ccccc3)CC2)c1=S 8105958 URIUJCNGMRYLPD-UHFFFAOYSA-N 340.496 4.058 0 40 EIAB Cc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 8230624 YYLGAMHTENGDRP-UHFFFAOYSA-N 337.448 4.350 0 40 EIAB Cc1cc(OC(=O)c2cc(=O)[nH]c3ccccc23)cc(C)c1Cl 8861088 QPJBMSNBQDZTFI-UHFFFAOYSA-N 327.767 4.018 0 40 EIAB COc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 11644853 WBTJTLBNBUBDFS-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ncccc3O)s2)cc1 12527054 JIAQYWYMOUFPSR-UHFFFAOYSA-N 339.420 4.034 0 40 EIAB O=C(Nc1ccccc1F)c1ccc(OCc2cscn2)cc1 12899099 IFNUCXOELXOAFU-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB COc1ccc([C@H](C)NC(=O)CCC(=O)c2ccc(C)s2)cc1F 12901939 GEWRXZCQIDDKOV-LBPRGKRZSA-N 349.427 4.045 0 40 EIAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccccc1 14076204 QGOAOMHYTXZYHZ-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)NCc3ccccc3C)o2)cs1 14197154 XCJZJRGECGXBNJ-UHFFFAOYSA-N 341.436 4.019 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1F 15390541 WGMZEEFMFFCLNL-LLVKDONJSA-N 333.790 4.374 0 40 EIAB c1ccc(-n2cc(CNCc3cccnc3)c(-c3cccs3)n2)cc1 17310103 IOMHXRQMZLFCDD-UHFFFAOYSA-N 346.459 4.286 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C(C)C)cc1 19310791 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EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1 32752878 HBNPRCIXSMXBIB-CQSZACIVSA-N 336.391 4.364 0 40 EIAB CCOC(=O)c1cc(CC)sc1NC(=O)CCc1cccs1 32893337 KNKAQAQVCZWJRX-UHFFFAOYSA-N 337.466 4.120 0 40 EIAB Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(F)cc1Cl 33040098 FDAGOXUGRCZJLJ-CHWSQXEVSA-N 334.822 4.465 0 40 EIAB CCOc1ccccc1NC(=O)Nc1cccc(Br)c1 44844959 FSLMXCSFPCLVBA-UHFFFAOYSA-N 335.201 4.492 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2cccc(SC)c2)cc1 47583270 JKOLLDZJPISNPN-UHFFFAOYSA-N 346.477 4.394 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)NCc3ccoc3)cn2)cc1C 57710200 MPRDDYKASFOHIM-UHFFFAOYSA-N 337.379 4.405 0 40 EIAB O=C(Nc1nnc(SCc2cccs2)s1)[C@H]1CC=CCC1 57747026 VWOSRAMFQUKREO-JTQLQIEISA-N 337.495 4.187 0 40 EIAB C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccn1 58454572 QYFNXCIYILTTAU-LLVKDONJSA-N 338.436 4.451 0 40 EIAB C/C(=C\C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C)C1CC1 65854273 XWPHFBIZFINBSP-NTCAYCPXSA-N 337.467 4.112 0 40 EIAB CC(C)(C)n1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)cn1 65985917 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40 EIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccc(Br)c(Cl)c1 95096016 GERLPSVNIVEVPF-GMSGAONNSA-N 345.542 4.121 0 40 EIAB Fc1cc(Br)c(OC(Cl)(Cl)Cl)cc1F 95215437 UVHDBWLOAKBECE-UHFFFAOYSA-N 326.351 4.434 0 40 EIAB C[C@H]1C[C@H](c2ccsc2)CN1Cc1nnc(-c2cccs2)o1 95401048 WYOQIJNWQJCASY-AAEUAGOBSA-N 331.466 4.238 0 40 EIAB c1ccc([C@@H](NC2CCN(Cc3cccnc3)CC2)c2ccco2)cc1 95419555 JLCIWFGDFCYYKU-JOCHJYFZSA-N 347.462 4.018 0 40 EIAB Cc1noc(C)c1C[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 95422810 YOQQOGUMPZQHFB-UONOGXRCSA-N 338.455 4.067 0 40 EIAB O=[S@](Cc1cccc(Cl)c1)Cc1csc([C@@H]2CCCO2)n1 95442864 IPAQWOLVPFCIHC-QKKBWIMNSA-N 341.885 4.097 0 40 EIAB Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(C)(C)c1ccccc1 95954353 BHIBLLPXTQANPA-UHFFFAOYSA-N 338.451 4.050 0 40 EIAB Cc1ocnc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 95984744 HGLCUYHLNTZJPJ-UHFFFAOYSA-N 343.333 4.250 0 40 EIAB Cn1ccc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cccc21 96231945 TWSLBFWIEFHJPZ-IBGZPJMESA-N 344.418 4.032 0 40 EIAB COc1ccccc1[C@@H]1CCN(Cc2nnc(-c3cccc(C)c3)o2)C1 96469703 ACFBIROFTOCISF-QGZVFWFLSA-N 349.434 4.043 0 40 EIAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1F 96659759 LFDGJCVMEGHHCB-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB COc1ccc2oc([C@H](C)NCc3nnc(C(C)C)o3)c(C)c2c1 97112145 GEIOPLUSGPRZJY-LBPRGKRZSA-N 329.400 4.107 0 40 EIAB CC(C)Nc1cc(F)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1 97230093 OSLNSVIWHMGJAY-CQSZACIVSA-N 349.431 4.206 0 40 EIAB Cc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)cc(C)c1Cl 224259014 RXZOSMLVMYEADQ-OAHLLOKOSA-N 331.843 4.256 0 40 EIAB CCCOCc1cc(C(=O)NCc2ccccc2Cl)ccc1OC 224410743 IGOGYDXTEZIVEE-UHFFFAOYSA-N 347.842 4.205 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccccc1OC 224893470 IIRQRCSCJRCTNF-QAPCUYQASA-N 327.424 4.038 0 40 EIAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 224919103 PLLGCUQZXYAASP-UHFFFAOYSA-N 347.333 4.060 0 40 EIAB CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)c(C)c1 224931428 YBZYSCAMLGPNJA-GOSISDBHSA-N 341.451 4.267 0 40 EIAB CCc1nc2ccc(NC(=S)NCCc3ccccc3)cc2s1 225207112 QUHGSKUEGGLWIY-UHFFFAOYSA-N 341.505 4.388 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NC2CCCCCC2)c(C)c1 225353789 YORPCFCJEJOSIE-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB CC(C)Oc1cccc(NC(=S)NCCCc2ccccc2)c1 225385704 NNQVMBHBNGJYFB-UHFFFAOYSA-N 328.481 4.393 0 40 EIAB CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccccc1 252571541 YCYPDMPTFFPSFR-UHFFFAOYSA-N 347.443 4.493 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1cccnc1-c1cccnc1 253474689 JHQGYOXJBCSCKH-JXMROGBWSA-N 349.821 4.127 0 40 EIAB CCC1=N/C(=C\c2c(C)nn(-c3cccc4ccccc34)c2C)C(=O)O1 408997124 RIBVSORDSQBYMJ-PDGQHHTCSA-N 345.402 4.349 0 40 EIAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1O[C@H](C)CC 409314447 KNTJNEJKRDPRMO-PILJQMSFSA-N 349.452 4.319 0 40 EIAB CCc1ccc([C@@H]2C[C@H](C)CCN2c2nccc(-c3cnccn3)n2)o1 517071641 KMOGGPMBFVKPOC-KDOFPFPSSA-N 349.438 4.067 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl 36274 GZHNGKHJGJRGIR-UHFFFAOYSA-N 330.161 4.244 0 40 EIAB CC[C@]1(C)C[C@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 343507 HPAWIRFVASVWBY-RTWAWAEBSA-N 329.484 4.321 0 40 EIAB CCC(=O)Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1 386468 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6274186 HRNCFRQWEKBKSX-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cn1 6609183 YGCDVYZTQUACGW-NSHDSACASA-N 332.856 4.343 0 40 EIAB Cc1nc(SCc2nc(-c3cccs3)no2)c2ccccc2n1 7044744 WZOLFJTWOFBCOK-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 7092799 OKSHOUJNSYMMOZ-VEVIJQCQSA-N 336.347 4.120 0 40 EIAB COc1ccc(CNC(=S)Nc2ccccc2C(C)(C)C)cc1 7529597 VHICNWFAMZDWJJ-UHFFFAOYSA-N 328.481 4.479 0 40 EIAB S=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)NC1CC1 7530462 TYJYXKYGYDYRGQ-UHFFFAOYSA-N 339.489 4.336 0 40 EIAB O=C(CSc1ccc(F)cc1F)c1ccc(N2CCCC2=O)cc1 7826383 ARVLBUKLLUFVMG-UHFFFAOYSA-N 347.386 4.067 0 40 EIAB CN(Cc1ccsc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8751639 QYVSEVKUNLKGKR-UHFFFAOYSA-N 337.448 4.083 0 40 EIAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(C)c1 9281501 DGQJEAJAMBHXCN-UHFFFAOYSA-N 348.446 4.279 0 40 EIAB Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1 10328895 PMIZPSQZRZAKHW-QFIPXVFZSA-N 346.474 4.110 0 40 EIAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10458047 YDYFGYHTPGIMEO-UHFFFAOYSA-N 344.842 4.050 0 40 EIAB COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C(C)C)cc2)cc1 11801664 MGSHAMHRVRXMAQ-UHFFFAOYSA-N 336.391 4.370 0 40 EIAB COc1ccc(NC(=O)c2ccc(NC(=O)OCC(C)C)cc2)cc1 12749439 CMUSBGQTOJVTTA-UHFFFAOYSA-N 342.395 4.152 0 40 EIAB CC[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12935152 MOOTVQREWWKCQT-ZDUSSCGKSA-N 335.403 4.297 0 40 EIAB O=C(COc1ccc(-c2nnco2)cc1)c1ccc2ccccc2c1 15280301 KEGWZGUFNJVLEI-UHFFFAOYSA-N 330.343 4.152 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)NCCSc1ccc(Cl)cc1 20240071 WLVMORMGGYYGID-XCVCLJGOSA-N 335.831 4.401 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CCCOc2ccccc2)cc1 20453265 XAJDMEWJKWZLID-INIZCTEOSA-N 327.424 4.122 0 40 EIAB O=C1CCCN1c1cccc(-c2csc(Nc3ccccn3)n2)c1 22421041 AKLQZEYJBNDWBU-UHFFFAOYSA-N 336.420 4.076 0 40 EIAB O=C(O)C/C(=C/c1ccc(C(=O)O)cc1)c1nc2ccccc2s1 28605483 GFAHKYWZFLISEC-LCYFTJDESA-N 339.372 4.010 0 40 EIAB COc1ccc(CN[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 31813214 CQATYJFSTOXRAE-JOCHJYFZSA-N 347.414 4.303 0 40 EIAB C/C=C/c1cc(C(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC 32841384 PHCOKXGBAZBHQI-LHRNQBEKSA-N 337.419 4.328 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC3CCCCCC3)cc2)C1 38852351 IFYCVTVAYDZXEI-QGZVFWFLSA-N 328.500 4.371 0 40 EIAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 45927486 SOXFKDMZIAYACE-GDBMZVCRSA-N 343.496 4.348 0 40 EIAB C[C@H](SCc1ccc(F)cc1Br)C(=O)NC(C)(C)C 48406627 JIWWDSCBEKQSSS-VIFPVBQESA-N 348.281 4.125 0 40 EIAB C[C@@H]1CCCC[C@@H]1OCCN(Cc1cccs1)C[C@@H]1CCCO1 58345000 UJBUNJBNRVMAAW-AOIWGVFYSA-N 337.529 4.324 0 40 EIAB COc1ccc2nc(C)c(C(=O)NC3(c4ccccc4)CCC3)cc2c1 58356304 QKMPPKHZGQMPGZ-UHFFFAOYSA-N 346.430 4.361 0 40 EIAB CC[C@@H](c1ccccc1)c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 65259439 XSXZSIJYVMDVFW-AEFFLSMTSA-N 347.418 4.132 0 40 EIAB O=C(C1CCC1)N1CCC(c2nc(-c3ccccc3)cs2)CC1 69809342 XHBRHWGGYVSEPV-UHFFFAOYSA-N 326.465 4.316 0 40 EIAB Cc1cccc(-c2noc(CN[C@@H](c3ncccc3C)C(C)C)n2)c1 70019808 GWQHSKONIVBYCP-GOSISDBHSA-N 336.439 4.235 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2cnn(C)c2C)S1 71288910 JFZZGPSDKGTJES-HNNXBMFYSA-N 345.472 4.022 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CC[C@@H]2CCCC[C@@H]2C1 71847952 RAEBRTNCRWLDCF-JKSUJKDBSA-N 326.440 4.189 0 40 EIAB Cc1nccn1-c1cccc([C@H]2CCCN2CCCc2ccccc2)n1 72378683 IBZOFIFQLKWQNW-OAQYLSRUSA-N 346.478 4.345 0 40 EIAB C[C@H](Oc1ccccc1NC(=O)CCc1cnn(C)c1)c1ccccc1 75139575 BYRIRCSHVNOJRV-INIZCTEOSA-N 349.434 4.131 0 40 EIAB CNC(=O)c1cccc(CN[C@@H]2CCSc3c(Cl)cccc32)c1 95420987 UQRXRRGFFHUQRK-MRXNPFEDSA-N 346.883 4.026 0 40 EIAB Cc1nc2c(s1)[C@@H](N(C)Cc1noc(-c3ccsc3)n1)CCC2 95427801 PGWIRNZAFOQBQF-ZDUSSCGKSA-N 346.481 4.072 0 40 EIAB CCOCc1ccccc1NC(=O)NC(C)(C)c1nc(C)c(C)s1 96413375 YBOZKQLOPJMBSQ-UHFFFAOYSA-N 347.484 4.353 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)CCCC1=N2 102668861 CJCXYXGASKZOPZ-HNNXBMFYSA-N 326.425 4.062 0 40 EIAB CC(=O)O[C@H]1CC[C@@]23C[C@]2(C=C[C@H]2[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]23)C1 118936495 FUGNGPAKVKQMRY-DGWDJNBYSA-N 328.452 4.060 0 40 EIAB COC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl 216805799 LHHVBRHDJLBMMV-UHFFFAOYSA-N 329.154 4.498 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2cc(C)ccc2C)cc1 223980755 FYMNZZFWHLGLHS-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(C(C)C)c1 224636235 WVKHJSWRKSLCNV-OAHLLOKOSA-N 341.517 4.313 0 40 EIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)c(C)c1 225476278 FKPQGXXTQFXVCX-AWEZNQCLSA-N 342.464 4.122 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1 225629200 FECINIBPDDBKLO-UHFFFAOYSA-N 337.419 4.303 0 40 EIAB CN(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccc(Cl)cn1 225648103 ORNBLNHHNYNKDH-UHFFFAOYSA-N 339.782 4.199 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccccc1OC 225733449 DLHYBERKIHCQMT-VQIMIIECSA-N 341.451 4.347 0 40 EIAB COc1cccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 225770244 SMIQHFHYZHBWSK-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccc(CSCC(=O)NCCSC2CCCCC2)cc1 409027284 FOXVUUWQQQAOIN-UHFFFAOYSA-N 337.554 4.410 0 40 EIAB COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Cl)c1OC 409104283 CFWMUTZAUHAASV-DHDCSXOGSA-N 347.823 4.443 0 40 EIAB COC(=O)CCCC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360772 ICTYAVZZJYUTNI-UHFFFAOYSA-N 342.235 4.250 0 40 EIAB O=C(CCSc1ccccc1)NCc1cncc(-c2ccoc2)c1 575620795 QIPWCIHSRHBCBL-UHFFFAOYSA-N 338.432 4.140 0 40 EIAB CC[C@@H](C)c1cc(-c2nc(C3(c4cccc(OC)c4)CC3)no2)on1 585084349 NYOISUPLVYISQZ-GFCCVEGCSA-N 339.395 4.327 0 40 EIAB CCOc1ccc(C(C)=O)cc1COc1cccc(-n2cccn2)c1 606428782 HGHVLOPXLUGQPQ-UHFFFAOYSA-N 336.391 4.053 0 40 EIAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 626558150 NSMAELPMQQOMRW-QGGXVJLZSA-N 344.842 4.242 0 40 EIAB C[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[C@H]1c1ccccc1 1641879529 JUQYNNPYDABHCC-WMLDXEAASA-N 344.405 4.029 0 40 EIAB CC1(C)C[C@@H]2CN(Cc3nccs3)CC[C@@H]2N1c1cccc(F)c1 2037988614 AOPNESNWHOUBJI-PBHICJAKSA-N 345.487 4.162 0 40 EIAB Cc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1 304226 WQVVIQIDEQGBEG-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB CCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 483759 FPARACPOUNLZSN-SNVBAGLBSA-N 339.457 4.254 0 40 EIAB CCCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 498692 BFDOGVPOJCQRBP-UHFFFAOYSA-N 329.787 4.413 0 40 EIAB O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1Cl 1340568 UJUAJALIIDHUJY-UHFFFAOYSA-N 337.810 4.409 0 40 EIAB O=C(O)c1cccc(-n2cc(-c3cccc(C(F)(F)F)c3)cn2)c1 1400846 DNZWHNULRGEYBG-UHFFFAOYSA-N 332.281 4.256 0 40 EIAB Cc1cccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn23)c1 2183279 KVRSRLBTFYBONA-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 2655318 UQBKRZVBFJWHGZ-ORAYPTAESA-N 342.439 4.179 0 40 EIAB Cc1ccc(N2C(=O)S[C@H](Nc3ccc(C)cc3C)C2=O)cc1 3079895 VPBMVIUHUWORQO-INIZCTEOSA-N 326.421 4.250 0 40 EIAB COc1cccc(OC)c1C(=O)NC(c1ccccc1)c1ccccc1 3100562 ACLQORVTQSYOOP-UHFFFAOYSA-N 347.414 4.223 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 3217629 XJVIDQWHTPOLJY-MRXNPFEDSA-N 331.799 4.016 0 40 EIAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 3220104 VGOKIWSGKCWUIA-MRXNPFEDSA-N 336.460 4.423 0 40 EIAB CCCNC(=O)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764149 IGCHEKBYQJDGIF-YJBOKZPZSA-N 327.472 4.315 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1c(F)cccc1F 4176822 SOTIWKIDHNRTQW-UHFFFAOYSA-N 347.342 4.218 0 40 EIAB COc1ccc(CSc2nncn2-c2ccccc2C)cc1F 4501076 FVUDCXGNRQUVJH-UHFFFAOYSA-N 329.400 4.016 0 40 EIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cccs3)n2)cc1 5180471 SHQWHCPPNAMUIK-UHFFFAOYSA-N 329.450 4.071 0 40 EIAB O=C(OCc1ncc(-c2ccccc2)o1)c1cc2c(s1)CCC2 5308534 ZGLPRWMYLFNTSJ-UHFFFAOYSA-N 325.389 4.249 0 40 EIAB CC(C)=CCC[C@H](C)CCOC(=O)CCC(=O)Nc1nccs1 5721651 CLRVJBYUYCQVCJ-AWEZNQCLSA-N 338.473 4.178 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 5965441 FIAWMMJQYLRGSE-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB O=C(CSCc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 6313793 FMYDBYPHQKHXHU-SFHVURJKSA-N 329.440 4.253 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(Cl)nc(Cl)c1 6649164 JHBUFSBYTPEHIR-LLVKDONJSA-N 339.247 4.355 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 7294636 FXBHFEJWHKQNDX-KGLIPLIRSA-N 327.449 4.154 0 40 EIAB O=C(COc1ccccc1F)N[C@@H](c1ccccc1)c1cccs1 7889225 VMUSVYXWMLASHS-IBGZPJMESA-N 341.407 4.172 0 40 EIAB Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1C 8051752 LLVAIBGNTLILFL-UHFFFAOYSA-N 334.419 4.473 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135160 OIOQPOIFHAGKHC-UHFFFAOYSA-N 330.771 4.437 0 40 EIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1 9458875 QSESDNPICINVLW-NSHDSACASA-N 335.762 4.088 0 40 EIAB c1ccc(OCCn2c(CN3CCCCCC3)nc3ccccc32)cc1 11692527 DFJFUMBLRARXKS-UHFFFAOYSA-N 349.478 4.491 0 40 EIAB Cc1nc2c(c(S[C@H](C)C(=O)Nc3cccc(C)c3C)n1)CCC2 12016721 BWCQGRJVIMILAU-CYBMUJFWSA-N 341.480 4.010 0 40 EIAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 12024151 NOISTRXORYOSHP-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)co1 12771867 CYHFRBBFKWXLOG-UHFFFAOYSA-N 348.811 4.104 0 40 EIAB O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(Cl)cc1 13550384 WOBWBGCBEQZLRO-UHFFFAOYSA-N 347.802 4.174 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCOc2ccccc21 14160645 CICVBIDTDSPFQX-LJQANCHMSA-N 334.419 4.131 0 40 EIAB Cc1c(CCC(C)C)c(=O)n2c3ccccc3nc2n1Cc1ccco1 14165369 PJQDWKHOGFHWHR-UHFFFAOYSA-N 349.434 4.188 0 40 EIAB COc1cc(NC(=S)Nc2cc(C)cc(C)c2)cc(OC)c1OC 16213348 BIFXWXVTYXTCOQ-UHFFFAOYSA-N 346.452 4.138 0 40 EIAB Cc1nc(-c2cccs2)c(CCC(=O)NCc2ccco2)s1 19819622 KYSLKBBECBYCCJ-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(NC3CC3)s2)c1 22173693 YHSCOMCTTOIANW-NSHDSACASA-N 333.482 4.093 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1cn(CC)c2ccccc2c1=O 22234481 LDGXAUJFAXRGEO-UHFFFAOYSA-N 348.446 4.399 0 40 EIAB CN1c2ccccc2C(=O)N[C@H]1c1ccccc1OCc1ccccc1 24098522 NISUOLAUDSNAAX-OAQYLSRUSA-N 344.414 4.144 0 40 EIAB Cc1c([C@@H](C)NC(=O)c2sc3ccccc3c2Cl)cnn1C 25000864 NBUXBWWCXDQXCA-SECBINFHSA-N 333.844 4.088 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccccc1 27662565 PNBJIIGNWVFPEN-QGZVFWFLSA-N 328.481 4.095 0 40 EIAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Cl)cc1 28043313 GYSDVZFNTDQCHB-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2ccc(C)cc2)cc1 31682502 SMPLAGWLHCAGNX-AWEZNQCLSA-N 327.449 4.167 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2oc(C3CC3)nc2c1 32818723 WCHRCKZGGHYYDO-UHFFFAOYSA-N 332.403 4.375 0 40 EIAB CCCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21 35588073 UVNOISAKHWEPPJ-UHFFFAOYSA-N 328.500 4.088 0 40 EIAB CC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1 38305194 CAOIUNFSPMSYIQ-QZTJIDSGSA-N 328.456 4.303 0 40 EIAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(Br)cc2F)o1 40097441 REFNBSJVMINCPN-VIFPVBQESA-N 341.180 4.372 0 40 EIAB Cc1nn(C)c(C)c1CCC(=O)N1Cc2ccccc2-c2ccccc21 40145841 OFEHODZNLZMVBP-UHFFFAOYSA-N 345.446 4.183 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1 44886187 RFFXRFKCJUHQIU-IBGZPJMESA-N 343.492 4.202 0 40 EIAB O=C(NCc1ccc(Cl)cc1)Nc1cccc(OC(F)F)c1 47908078 IIJPEGNOIBCVKC-UHFFFAOYSA-N 326.730 4.263 0 40 EIAB CCc1c(C(=O)N(C)Cc2cccc(Cl)c2)[nH]c(C)c1C(C)=O 48183105 XVPFJXSLIKMXDQ-UHFFFAOYSA-N 332.831 4.014 0 40 EIAB O=C(CNCc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 52537499 JGGONKRIDJXKNH-UHFFFAOYSA-N 343.641 4.375 0 40 EIAB C[C@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl 57816041 JRBMEBKRDFUZIT-KXBFYZLASA-N 342.870 4.354 0 40 EIAB CN(C(=O)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 69773007 PAPTYCCYDDEWQB-IBGZPJMESA-N 338.357 4.221 0 40 EIAB CC(C)c1nnc(CCC(=O)N(c2ccc(Cl)cc2)C(C)C)o1 80910419 QXMXTQKMJCIBTG-UHFFFAOYSA-N 335.835 4.221 0 40 EIAB CCS[C@H]1CCC[C@@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 84811956 NYFAUAKPMYCECJ-CABCVRRESA-N 338.521 4.267 0 40 EIAB Cc1ccnc(-c2ccc(NCc3noc(-c4ccsc4)n3)cc2)n1 86208616 JYXJEVRGDPAEGT-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB O[C@H](c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl 95079917 FDRODISLZBQQCO-LJQANCHMSA-N 347.805 4.427 0 40 EIAB Cc1cccc(N(CC(F)(F)F)C(=O)c2ccnn2C(C)C)c1C 95427933 HOAVKBGVIVUGGQ-UHFFFAOYSA-N 339.361 4.290 0 40 EIAB C[C@H]1C[C@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 95458254 FMUJCOXACXOINZ-JKSUJKDBSA-N 345.487 4.002 0 40 EIAB CO[C@@H](CNC(=O)Cc1cccc2ccccc12)c1ccccc1C 96104983 ZZXUSZYMVXZFJH-NRFANRHFSA-N 333.431 4.195 0 40 EIAB C[C@@H](Nc1cccc(Cn2cccn2)c1)c1nc(-c2ccccc2)no1 96480879 MJOBZWRYCAFZEI-OAHLLOKOSA-N 345.406 4.155 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 113959853 IIKXXKQGZYPTAP-PMACEKPBSA-N 341.451 4.429 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cc(C)ccc1C 113960269 FPGXPAHXKAVFBV-YJBOKZPZSA-N 329.415 4.477 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSC1CCCC1 223152237 HHUAXSZKIISICQ-KRWDZBQOSA-N 335.513 4.253 0 40 EIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224185393 RTEHXHAZVIMATQ-RBUKOAKNSA-N 348.475 4.080 0 40 EIAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1Cl 225630020 DNNWBUOANIFCFK-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1C 225793026 RFYFICHGFBNDPT-UHFFFAOYSA-N 331.419 4.245 0 40 EIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1C 225907286 PEISWEFLYLXREV-IBGZPJMESA-N 336.476 4.493 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3F)nc2c1 226270362 MVFMVPZWZCODGY-UHFFFAOYSA-N 338.260 4.159 0 40 EIAB CCOC(=O)[C@@H]1CN(N=O)[C@H](c2ccccc2)C[C@H]1c1ccccc1 245239029 DPZKOOVUUPQRNK-OTWHNJEPSA-N 338.407 4.078 0 40 EIAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781644 UFBTUTCUWJTLMO-JEBQAFNWSA-N 339.464 4.070 0 40 EIAB Cc1oc(-c2ccsc2)nc1CN1CC[C@H](c2ccncc2)C1 566569595 YBZHXMIBBNCDGE-HNNXBMFYSA-N 325.437 4.096 0 40 EIAB CCOC(=O)CCCC(=O)c1cc(OC(F)(F)F)ccc1Cl 575361540 PZTKOKUQOIVXTL-UHFFFAOYSA-N 338.709 4.155 0 40 EIAB Clc1ccc(C[C@@H](NCCC[C@H]2CCOC2)c2ccccn2)cc1 645853101 RXCWBEZHSXPYNI-FXAWDEMLSA-N 344.886 4.425 0 40 EIAB CCCCCc1c(Br)c(O)cc(O)c1Br 1888987334 INKUHDWQKDJMNG-UHFFFAOYSA-N 338.039 4.356 0 40 EIAB Fc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 205869 ZQBUZNPHZFDPCF-HOTGVXAUSA-N 328.778 4.217 0 40 EIAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(C)cc2)C1 329530 UCYWDXGWUDLHAW-IBGZPJMESA-N 342.826 4.106 0 40 EIAB CN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)C1CCCCC1 1003894 NRORKVGFCKFVPC-UHFFFAOYSA-N 332.513 4.263 0 40 EIAB CC[C@H](COC(=O)c1ccc(N(CC)CC)cc1)NC1CCCCC1 1710574 PLQKKAZRAIJJLE-GOSISDBHSA-N 346.515 4.391 0 40 EIAB CC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 2092810 VLJBAHSCBUFIGT-IEBWSBKVSA-N 335.488 4.496 0 40 EIAB biogenic Cc1ccc2[nH]cc(CCNC(=O)Nc3cccc(Cl)c3)c2c1 2341270 LBKPQTYDYCNCHA-UHFFFAOYSA-N 327.815 4.494 0 40 EIAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 3271859 XDEYTBJLAPSTGO-UHFFFAOYSA-N 343.467 4.337 0 40 EIAB COc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 3422945 DMMUXKVBRCWUFK-UHFFFAOYSA-N 340.404 4.334 0 40 EIAB O=C(OCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1 3513614 UNXNSTVXYJQDIK-UHFFFAOYSA-N 327.767 4.124 0 40 EIAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccc(Cl)c1)CC2 5422327 ZDDYPIVSFKMRRG-LBPRGKRZSA-N 345.826 4.117 0 40 EIAB Cc1ccc(-c2noc(-c3ccccc3C(=O)NCC(C)C)n2)cc1 5557480 WPTPCGJCLMZFJO-UHFFFAOYSA-N 335.407 4.098 0 40 EIAB CCCCC1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 6510674 JEUAYPHZXBFBTF-UHFFFAOYSA-N 344.499 4.458 0 40 EIAB Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)oc2c(Cl)cccc12 6608947 JMOGGVIWCLTQHU-CQSZACIVSA-N 346.814 4.020 0 40 EIAB Cc1ccccc1OCCC(=O)Nc1nc2ccc(F)cc2s1 6790598 DYOQFHYJYJAYNY-UHFFFAOYSA-N 330.384 4.151 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 6879932 PBTPFZIAFGFCHW-FMIVXFBMSA-N 342.826 4.132 0 40 EIAB c1ccc(-n2c(SCCc3ccccn3)nnc2-c2ccco2)cc1 7035112 ALUIOGPKACQJPH-UHFFFAOYSA-N 348.431 4.257 0 40 EIAB CC(C)Sc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 7573083 OSRDPYBTZCEYOZ-UHFFFAOYSA-N 328.850 4.336 0 40 EIAB Cc1ccc(C)c(N(CC(=O)c2ccccc2)C2=NCCCS2)c1 8410765 LYKYSEIDALCJTA-UHFFFAOYSA-N 338.476 4.486 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccccc2)cc1Br 8723051 CFRZZQSUKDPINE-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 11565949 CFVNVNIJOHVZSV-UHFFFAOYSA-N 337.416 4.114 0 40 EIAB O=c1[nH]c2c(c3ccccc13)[C@@H](c1ccccc1)N1C=CC=CC1=N2 12810156 JWLOGJIOBBIUPE-LJQANCHMSA-N 325.371 4.047 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3F)c12 12817502 STGSDWWMGMUQHF-UHFFFAOYSA-N 345.761 4.453 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccccc1OC[C@@H]1CCCO1 12939936 BFQOGMQSHCGOJV-HNNXBMFYSA-N 331.799 4.150 0 40 EIAB CCCCc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 14068823 UCZRNCWTTUXTPN-UHFFFAOYSA-N 329.347 4.152 0 40 EIAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1Cc2ccccc2O1 15588662 ZQNCYCWYQUAQPB-INIZCTEOSA-N 346.411 4.392 0 40 EIAB Cc1ccc(Cn2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2=O)cc1 15883146 MASJCKREPOGJMD-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1cc(C)n(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)n1 17070676 WHPNAPSBMLTBGT-UHFFFAOYSA-N 336.292 4.104 0 40 EIAB O=c1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)c[nH]1 18067588 WZWPYXSBBOYPAX-UHFFFAOYSA-N 335.794 4.093 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C)ccc1Br 20045747 KYRJYPHUNNOTKS-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)C1 22531068 JWXQADRPFBUSRO-ROUUACIJSA-N 336.479 4.410 0 40 EIAB CCCCc1nnc(NC(=O)c2ccccc2SC(F)F)s1 23365147 GSURYBWBKFKDOY-UHFFFAOYSA-N 343.424 4.448 0 40 EIAB CCc1c(C(=O)Nc2ncc(C)s2)cnn1-c1cccc(Cl)c1 24679576 VDBFLKINVSUPCZ-UHFFFAOYSA-N 346.843 4.105 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@H]21 25530105 WLTGVPPFUWPJRC-UKRRQHHQSA-N 330.453 4.127 0 40 EIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)NC1CCCCC1 28235087 SLDPBMSSAIAUBN-UHFFFAOYSA-N 344.434 4.142 0 40 EIAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(C2CCCC2)n1 28241320 QHLBRNDGWTUQTP-UHFFFAOYSA-N 339.773 4.491 0 40 EIAB O=C(Nc1ccon1)c1ccc(COc2ccc3ccccc3c2)o1 32611342 CJWGZTSOOZNEBV-UHFFFAOYSA-N 334.331 4.252 0 40 EIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3cccc4cccnc34)oc2c1 32623221 SVYCKQJRSOHTSM-UHFFFAOYSA-N 344.370 4.210 0 40 EIAB COc1cc([C@@H](C)NC(=O)CC(C)(C)C)ccc1OCC(F)(F)F 32914576 DIUZCGUVWAIARX-LLVKDONJSA-N 347.377 4.250 0 40 EIAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 40072749 QWXQSERQBRSHJL-KGLIPLIRSA-N 330.350 4.007 0 40 EIAB COc1ccccc1OCc1ccc(C(=O)N[C@@H](C)CCC(C)C)o1 40128626 ZMWXPNMLTMGDGI-HNNXBMFYSA-N 345.439 4.422 0 40 EIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)[C@H](C)c1cccs1 41908370 HYESZZZVDJUIEJ-LLVKDONJSA-N 348.493 4.300 0 40 EIAB FC(F)(F)c1ccc(SCc2noc(-c3ccco3)n2)nc1 43522160 OBKPQXIIERPRHX-UHFFFAOYSA-N 327.287 4.036 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 43861120 FBMLBYJYBCFLLB-ZDUSSCGKSA-N 341.455 4.073 0 40 EIAB NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 45887704 AVZHCAYLAFSTKP-UHFFFAOYSA-N 338.219 4.457 0 40 EIAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)N3CCC(C)CC3)cc2)cs1 52774637 DSIWIDYGHMVTLI-AWEZNQCLSA-N 343.496 4.177 0 40 EIAB Cc1nc(NC(=O)CSC2=Nc3ccccc3CS2)sc1C 54745987 SFMRTAJEMZRDBL-UHFFFAOYSA-N 349.506 4.366 0 40 EIAB CC(=O)c1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1 62649884 WEPZGSHHJCQKCF-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 79109638 GKVCLBCFBQHXGF-ZWKOTPCHSA-N 348.556 4.042 0 40 EIAB C[C@@H](Cc1ccoc1)NC(=O)C1c2ccccc2Oc2ccccc21 84926344 UEOVORUBHODRIW-AWEZNQCLSA-N 333.387 4.265 0 40 EIAB CC(C)CCNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 95472278 AZJIHPDEPLEHFN-KRWDZBQOSA-N 332.875 4.478 0 40 EIAB CC(C)(C)OC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 95635098 LMHBCGKSOKSNDF-UHFFFAOYSA-N 334.416 4.331 0 40 EIAB in-vitro C[C@@H](N[C@H]1CCc2c(F)cc(Br)cc21)c1ccncc1 95967104 HASZEFNXAZPMFZ-HWPZZCPQSA-N 335.220 4.321 0 40 EIAB Cc1c(O)c(-c2cc3ccccc3[nH]2)cc2c3c(c(=O)oc12)CCC3 96343741 UPFCKFMBAMHHCN-UHFFFAOYSA-N 331.371 4.444 0 40 EIAB CO[C@](C)(CNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 96392416 IRTCXUIZFNDKEW-LJQANCHMSA-N 343.810 4.378 0 40 EIAB C[S@](=O)Cc1ccc(Cl)c(NC(=O)CCCC(C)(C)C)c1 96409252 IFVHJUKGXQWRSG-OAQYLSRUSA-N 329.893 4.373 0 40 EIAB O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(SC(F)F)cc1 103704851 RHMDPWYWFIDUNR-ZDUSSCGKSA-N 348.374 4.066 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 113945508 ZFVXLHAOYFFYGZ-MRXNPFEDSA-N 349.430 4.322 0 40 EIAB Nc1cc2nn(-c3ccc(Oc4ccccc4)cc3)nc2cc1Cl 216765430 HXLNVUXLHAMWLT-UHFFFAOYSA-N 336.782 4.448 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1C 219504223 RTZXBWCKYGYZER-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223094069 UGPCKCSFQWDFEX-OAQYLSRUSA-N 337.463 4.384 0 40 EIAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224702630 YOMJBNKIJXXJIR-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB CCSc1nnc(NC(=S)Nc2ccc(Cl)cc2)s1 225466733 NAEKJRCDVKEYSU-UHFFFAOYSA-N 330.891 4.112 0 40 EIAB O=C1CCCN1c1cccc(NC(=S)NC2CCCCCCC2)c1 225518241 LRUDATJWEAVZLO-UHFFFAOYSA-N 345.512 4.213 0 40 EIAB CCCOC1(C(=O)Nc2cnc(OCC)c(C)c2)CCC(C)CC1 225912472 YFZKFGKGCVARTK-UHFFFAOYSA-N 334.460 4.103 0 40 EIAB COc1cccc(OC)c1CCC(=O)Nc1cc(Cl)ccc1C 225995158 DKIZLVASYSXXIP-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CC(C)c1nn(C)cc1NC(=O)N[C@@H]1CC(C)(C)c2ccccc21 280723051 JVPAQUFFJJLSAN-OAHLLOKOSA-N 326.444 4.088 0 40 EIAB CC(=O)Nc1cc(NC(=O)N(C)[C@H](C)C2CCCCC2)ccc1F 282590663 XZOWHXUVQDZZOZ-GFCCVEGCSA-N 335.423 4.217 0 40 EIAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(C)C2=O)c1 408806653 ATFPCNGLFAFJTH-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Cl)c1O 409096105 JHQGSIVBAUIPIC-ZSOIEALJSA-N 333.796 4.140 0 40 EIAB COC(=O)CCCCC(=O)c1cc(OC(F)(F)F)ccc1Cl 575361514 NUAJGIIVKNRPQI-UHFFFAOYSA-N 338.709 4.155 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 575618699 BCCPPEVFRHGGOM-INIZCTEOSA-N 342.826 4.119 0 40 EIAB Clc1cc2[nH]cc(-c3nnnn3-c3ccccc3)c2cc1Cl 88088 WYMOIZNILBQZPP-UHFFFAOYSA-N 330.178 4.117 0 40 EIAB Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 154637 AKOYDZUCVDUCOH-UHFFFAOYSA-N 326.787 4.478 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(F)c1 190390 LUCVGCFWVRFSMD-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB Cc1ccc(C)c(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)c1 315122 JCDPBWOISZLLCZ-UHFFFAOYSA-N 344.414 4.323 0 40 EIAB Cc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1F 426726 OSRQARQDNGAWFO-UHFFFAOYSA-N 347.187 4.043 0 40 EIAB COc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 489575 GBIFCRZAZCBEGU-KRWDZBQOSA-N 337.419 4.121 0 40 EIAB biogenic Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(C(C)C)cc1 1385029 MEWYEONCQPCCMG-UHFFFAOYSA-N 341.842 4.168 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(Cl)n1 1401760 FDXOBDGIXVRJKY-UHFFFAOYSA-N 344.263 4.455 0 40 EIAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccccc1 1660122 NWHZCAHINMSRQA-ZCQKWSGTSA-N 327.383 4.135 0 40 EIAB C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccccc1 1924300 AQIKGBCXTHAVOJ-CYBMUJFWSA-N 348.431 4.002 0 40 EIAB CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 2512688 FLWSDZNURMVBJZ-UHFFFAOYSA-N 337.419 4.314 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2cc(F)ccc2C)c1 3330510 CTYYUHSDWHQAAO-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 4524666 FIVGCQMFLIGFEW-UHFFFAOYSA-N 337.206 4.228 0 40 EIAB CCn1c(SCCOc2ccccc2)nnc1-c1ccc(F)cc1 4736168 VAFRXUUEWBKUOR-UHFFFAOYSA-N 343.427 4.275 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4947917 AIEJHOKPOVBUOQ-BPLDGKMQSA-N 338.469 4.217 0 40 EIAB OC1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1 5944232 NRSHITQKQUGKQX-UHFFFAOYSA-N 325.437 4.074 0 40 EIAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1Br 6035146 UPXJSTJAULIOOW-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1F 6790650 DNLLOEZWVHJQNJ-UHFFFAOYSA-N 335.378 4.434 0 40 EIAB CCCCn1c(-c2ccc(OC(F)F)c(OCC)c2)n[nH]c1=S 6890885 LZRMNSQKMRFXJB-UHFFFAOYSA-N 343.399 4.408 0 40 EIAB CCNc1nnc(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)s1 7248618 DJNPPYRFLXVYLA-SNVBAGLBSA-N 347.469 4.182 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 8140453 KEYPRTYZRQCJRE-BBRMVZONSA-N 332.444 4.342 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 8493101 NNVXBSDUKXTPSD-ILCGBQQYSA-N 327.468 4.237 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 8496407 YKEWFZMGCQIHHA-INIZCTEOSA-N 327.424 4.497 0 40 EIAB CCc1c(C(=O)Nc2ccc3ccccc3c2)nnn1-c1ccccc1 8715186 QRPRTFYTKLFAGN-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 8769687 JNYRHRCJDYTZLT-IWERZKIRSA-N 333.501 4.194 0 40 EIAB O=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 10319306 JEXMOBFOIPMZLS-UHFFFAOYSA-N 344.823 4.325 0 40 EIAB Cc1nc2ccccc2n1CCNc1ncnc2cc(Cl)ccc12 12506629 DMBBDVHSHZIMAS-UHFFFAOYSA-N 337.814 4.053 0 40 EIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3)c12 12764007 OCTZJVYORDYXBQ-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCCC2)cc1 12809883 IUPMUJYWPGJCSN-PXNSSMCTSA-N 337.467 4.342 0 40 EIAB CN(C)[C@H](CNc1ncnc2ccsc12)c1ccccc1Cl 14123775 FBLVADMIRHDNKC-CQSZACIVSA-N 332.860 4.060 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)COc2cccc(C)c2C)c1 14601721 LYCMJLNVBQURCH-UHFFFAOYSA-N 343.423 4.118 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCCSc1ccccc1 15136597 QRNAACQVGPZWSL-UHFFFAOYSA-N 337.444 4.127 0 40 EIAB O=C(O)[C@H](NCc1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12 20739145 QFOPLAWJPQIGOL-HXUWFJFHSA-N 346.386 4.343 0 40 EIAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc3ncccc23)cc1 22203346 TZDUOYCQHKXPHA-AWEZNQCLSA-N 333.387 4.225 0 40 EIAB COc1cc(Cl)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1OC 22435404 UEHKFLNMAGPWFZ-STQMWFEESA-N 349.789 4.239 0 40 EIAB COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1OC(F)F 25055884 UCRVPYKGAVASJW-LBPRGKRZSA-N 335.350 4.429 0 40 EIAB CN(C)[C@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1 25382815 IIBKPKGHEYKCMF-QGZVFWFLSA-N 342.439 4.073 0 40 EIAB Cn1c(SCc2cccc3ccccc23)nc2sccc2c1=O 29864857 KGBZTUXIIGUWSD-UHFFFAOYSA-N 338.457 4.441 0 40 EIAB CC1(C)CCC[C@@]2(C)[C@@H]1C[C@H]1O[C@@]1(C)[C@]21CC[C@](C)(CC(=O)O)O1 31158320 CMOXPNCOCAKUIY-BQLFOJHWSA-N 336.472 4.163 0 40 EIAB biogenic,in-vitro O=C(O)/C=C\c1ccccc1Oc1ccc(Br)cc1F 33290935 VDHMQMOFCCSGMC-YVMONPNESA-N 337.144 4.478 0 40 EIAB Nc1ccc(NC(=O)c2cccc3ccccc23)c(Br)c1 36738510 XKLVOYQMMQAZRS-UHFFFAOYSA-N 341.208 4.437 0 40 EIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 37868438 INUWBBWLQIDWRJ-FQEVSTJZSA-N 329.403 4.157 0 40 EIAB Cc1nc(CN(C)C(=O)Nc2ccc(OC(C)C)cc2F)cs1 52263777 SYTYSGSAMLUAPK-UHFFFAOYSA-N 337.420 4.042 0 40 EIAB Oc1nc(-c2ncccn2)nc2cc(-c3cccc(Cl)c3)sc12 54757200 JYUWAAHZPRDBAV-UHFFFAOYSA-N 340.795 4.174 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412059 XTDCLCCGBUZYGP-UHFFFAOYSA-N 337.810 4.471 0 40 EIAB CCSc1ccc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cn1 63611438 SJSZAYLCFNPBJW-UHFFFAOYSA-N 340.452 4.032 0 40 EIAB CNc1nc2c(s1)[C@@H](c1c(C)sc3ccccc13)CC(=O)N2 66091356 QPTVNJLMIDBPAL-SNVBAGLBSA-N 329.450 4.182 0 40 EIAB C[C@H](COCc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 72285826 CMCLYCLMFXIHLM-WBVHZDCISA-N 344.480 4.050 0 40 EIAB CC[C@@H](Nc1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(F)cc1 72291860 MAKWDOLSHKRUIL-MRXNPFEDSA-N 336.432 4.069 0 40 EIAB CNc1nc(CNc2nc(-c3ccccc3)nc3ccccc23)cs1 72301715 FGCZTSVCVRBUKM-UHFFFAOYSA-N 347.447 4.407 0 40 EIAB Cc1nccn1-c1cccc([C@@H]2CCCN2CCCc2ccccc2)n1 72378682 IBZOFIFQLKWQNW-NRFANRHFSA-N 346.478 4.345 0 40 EIAB COc1ccc(-c2nc(C[S@](=O)CC3CCCCC3)co2)cc1 77478074 OAHYCGWFQBDZRH-QHCPKHFHSA-N 333.453 4.179 0 40 EIAB CN(C)Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 83851200 JKJIYFZKJOVJEZ-UHFFFAOYSA-N 330.431 4.252 0 40 EIAB Cc1ccc(CNCc2cccc3cccnc23)c(O[C@@H]2CCOC2)c1 89623634 VWPOITHDBOCHOX-HXUWFJFHSA-N 348.446 4.001 0 40 EIAB COc1cc([C@@H](C)NCc2cscn2)ccc1SC(F)F 95421394 HNPXFACTXZONPP-SECBINFHSA-N 330.425 4.317 0 40 EIAB Cc1nc(C(=O)Nc2ccc(Sc3nncs3)cc2)c(C)s1 95433566 GYVQXDHSRGBATL-UHFFFAOYSA-N 348.478 4.015 0 40 EIAB COCCn1c(C(=O)Nc2cccc3c2ccn3C)cc2ccccc21 95473961 FRGJXAOEAVAMIH-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB Cc1c(CNC(=O)N[C@H](c2nccs2)C2CC2)oc2ccccc12 96440334 GASSZVJFMLCMIC-INIZCTEOSA-N 341.436 4.148 0 40 EIAB O=C(Oc1ccccc1OCc1cscn1)c1ccccc1F 97164816 FBLWOXDXKNPMNQ-UHFFFAOYSA-N 329.352 4.080 0 40 EIAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cscn2)cc1 102982308 VNBUZJHTAQKOIB-UHFFFAOYSA-N 338.392 4.039 0 40 EIAB CCCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 103174963 YOXFSLSONXZYDR-WZGNDQMWSA-N 341.495 4.450 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCCC2=O)c(Cl)c1 104805939 FWUTVZJHISQPPT-IHRRRGAJSA-N 346.858 4.232 0 40 EIAB COC(=O)N[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917452 CEZKLEHYJURHTB-PJCVOBQUSA-N 349.515 4.115 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CCCOc2cc(F)ccc21 181438878 SASWDUWQWRBYEB-CYBMUJFWSA-N 347.415 4.195 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)cc2Cl)c1 191148193 JGZMRJZNUBUMJQ-LBPRGKRZSA-N 333.815 4.157 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1 218971012 HEAWNRPRLOJZKV-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB COc1ccc(/C=C/C(=O)NCc2ccc3ccccc3c2)cc1OC 222747328 ZCSMJRVCTMUROG-FMIVXFBMSA-N 347.414 4.187 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C)c(C)c2)cc1 223439684 BCNZUJZLHJSHBX-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)NCC1CCCCC1 223457298 MDKYIGKUROAYQN-UHFFFAOYSA-N 329.868 4.409 0 40 EIAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 223724172 ZPNBFIGTEYBFLL-UHFFFAOYSA-N 337.872 4.284 0 40 EIAB COc1ccc(C(=O)N2CCCCC2)cc1COc1cccc(C)c1 224113882 PHHODCBGSAOCMP-UHFFFAOYSA-N 339.435 4.209 0 40 EIAB COc1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 224198259 QLNWTPXFDFZAOW-LJQANCHMSA-N 325.452 4.450 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C 224452361 HHJRNVBXPBTTKQ-KRWDZBQOSA-N 325.452 4.430 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(Cn2ccnc2C)cc1 225298748 XSHCTSZOXYECEV-MRXNPFEDSA-N 333.435 4.039 0 40 EIAB CN(C(=O)c1ccc(-c2cc(N)ccc2Cl)o1)c1ccccc1 226304095 UVDOWSHVDJLOPF-UHFFFAOYSA-N 326.783 4.459 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCCCCC1 408585824 JVJBIRPJDFPFHQ-UHFFFAOYSA-N 345.892 4.130 0 40 EIAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccccc2)cc1 408844495 TXPCXHCOOBWVOC-HMMYKYKNSA-N 339.398 4.225 0 40 EIAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1coc(-c2ccc(Cl)cc2)n1 530178994 KHVKOBBMTSVCTB-RYUDHWBXSA-N 348.830 4.069 0 40 EIAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 364217 CGYJAPKDNYDGIP-CQSZACIVSA-N 325.408 4.356 0 40 EIAB CC[C@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccccc12)c1ccccc1 530226 LQEIGWJPBJYIJW-AWEZNQCLSA-N 336.391 4.087 0 40 EIAB NNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 540813 CXNKEHZWMXTZDF-UHFFFAOYSA-N 347.447 4.071 0 40 EIAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 547405 VHJIUGITLGXKPA-UHFFFAOYSA-N 342.489 4.356 0 40 EIAB COc1ccc(/C=C2/C(=O)Nc3ccccc32)c2c(OC)cccc12 555634 ZEPTWTMWCZLVOW-FOWTUZBSSA-N 331.371 4.350 0 40 EIAB O=C(c1ccc(Cl)cc1)c1cccc(I)c1 2392541 QTQRRDGLXXELQP-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB CC(C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 2554679 ACTHPERTLCEIBT-NSHDSACASA-N 332.256 4.325 0 40 EIAB Cc1sc2ncnc(OCCOc3ccccc3Cl)c2c1C 3303494 AHSOQUSHEJNASQ-UHFFFAOYSA-N 334.828 4.419 0 40 EIAB FC(F)(F)[C@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 3455687 HTMJJNSCXMVTPQ-JTQLQIEISA-N 341.402 4.349 0 40 EIAB Cc1ccc(Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 5394378 DUMGITPPIPNEJA-UHFFFAOYSA-N 327.387 4.438 0 40 EIAB Cc1ccccc1Cn1c(CCCNC(=O)C(C)C)nc2ccccc21 5545947 IVRMUFLJRPMCNA-UHFFFAOYSA-N 349.478 4.098 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1ncnc2ccccc12 5560428 HRBKKVPIEDQUTM-IIDMSEBBSA-N 342.439 4.013 0 40 EIAB Cc1cccc(NC2=NN=C(c3cc(C)n(C)c3C)CS2)c1C 5694615 FHOQBSJTECNQBO-UHFFFAOYSA-N 326.469 4.178 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccccc1OC 6084869 MMWHLGVCWUEBOD-UHFFFAOYSA-N 349.814 4.073 0 40 EIAB CCOc1cc(C)c(C[C@H]2SC(=O)N(CC)C2=O)cc1C(C)C 6952864 WPDLXBTWEVLBEE-MRXNPFEDSA-N 335.469 4.144 0 40 EIAB Cc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1 8199910 JFDCPBYCOGTFSR-UHFFFAOYSA-N 326.406 4.201 0 40 EIAB CC[C@@H](CO)NCc1c(OCc2ccccc2)ccc2ccccc12 8326252 XRVQDIGYBPVKFV-IBGZPJMESA-N 335.447 4.279 0 40 EIAB CCN(CC)c1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8717370 OXBIWWONYGMPNW-HNNXBMFYSA-N 341.499 4.327 0 40 EIAB COc1ccc([C@@H](C(C)C)N(C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 8992643 GQALBBCARRXNIU-IEBWSBKVSA-N 333.472 4.198 0 40 EIAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C)c(Cl)c1 9071097 VXQUUNKHCXIAHK-UHFFFAOYSA-N 335.835 4.296 0 40 EIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)CC(C)(C)C)ccc21 9164821 UDJSGICBAOGNOF-UHFFFAOYSA-N 330.472 4.387 0 40 EIAB CCCn1c(NCc2c[nH]nc2-c2ccccc2)nc2ccccc21 9261996 NJQCMVPWKUTMGW-UHFFFAOYSA-N 331.423 4.449 0 40 EIAB CC[C@@H](Nc1ccc2c3c(cccc13)CC2)C(=O)Nc1cc(C)on1 9368918 ZMMCLHZGZJDQCE-MRXNPFEDSA-N 335.407 4.064 0 40 EIAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 12884622 NHUPLYIYWHMOBZ-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(C)c2OC)cc1 14258280 VRDWHEBBMRHYSV-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB Cc1ccc(C)c(NC(=S)NCCc2c[nH]c3ccc(F)cc23)c1 17071436 IXOPKVJVAHNIEZ-UHFFFAOYSA-N 341.455 4.453 0 40 EIAB Cc1ccc(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)c(C)c1 21659886 TYZOHFKJNONFNU-QGZVFWFLSA-N 338.451 4.216 0 40 EIAB CC(C)n1nccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 22292448 VQWKIFLQOPVVEH-UHFFFAOYSA-N 330.775 4.025 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC 22537992 YVNGVROFJCXXDH-INIZCTEOSA-N 341.451 4.049 0 40 EIAB CCOc1ccc2ccccc2c1C(=O)NCCOc1ccccc1 23142309 DCDRUDOVXWAXJZ-UHFFFAOYSA-N 335.403 4.047 0 40 EIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c(C)c1 24813780 PINLZESFIKPDGI-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663746 FWDZURFFSFZLPW-GOSISDBHSA-N 336.907 4.419 0 40 EIAB Cc1cccnc1NC(=O)c1ccc(COc2ccc(F)cc2F)o1 27983584 QCBMYBVUNPZGTL-UHFFFAOYSA-N 344.317 4.093 0 40 EIAB C[C@@H](C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1)n1cccn1 28504812 SWLWUTPAISRCOT-YWZLYKJASA-N 345.402 4.096 0 40 EIAB C[C@H]1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)C1 29509761 VONGUDKHHJTQCL-AWEZNQCLSA-N 328.481 4.290 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1C 32476865 XYHBFXNQNKSONQ-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB CCOc1ccccc1-c1noc(CN[C@@H](c2ccccc2)C2CC2)n1 36433565 LJTVGGPYGMXVFN-FQEVSTJZSA-N 349.434 4.376 0 40 EIAB O=C(NCc1cc(-c2ccccc2F)on1)c1c(F)cccc1Cl 38748198 CYIDRUOUVCXJFG-UHFFFAOYSA-N 348.736 4.203 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccccc2)CC1 39772414 OABDAVLVNWHNDQ-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1 40059899 PZWKDLMXLBANII-SECBINFHSA-N 341.741 4.138 0 40 EIAB Cc1ccc(-c2nc(CSc3nnc(C4CC4)n3C)co2)c(C)c1 40494151 OYSKWCAWTZCYKL-UHFFFAOYSA-N 340.452 4.257 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2nnc(C)s2)cc1 43408660 WYEDZYOQIWWGEX-OAHLLOKOSA-N 346.456 4.004 0 40 EIAB CCC[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 58407299 PYGDTLKNOLLSDL-CQSZACIVSA-N 347.484 4.160 0 40 EIAB Cc1ccc(-c2cc(C(=O)NC(C)(C)C)c3c(C)noc3n2)s1 58511453 IGGGCANSITTWMQ-UHFFFAOYSA-N 329.425 4.096 0 40 EIAB CC(C)Cc1noc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)n1 62580839 CYQPDCIEPUFMMV-UHFFFAOYSA-N 340.254 4.354 0 40 EIAB O=C(C1=NO[C@@H](c2ccccc2)C1)N(C1CC1)[C@H]1CCc2ccccc21 64809116 VVMZJCHWWNYQGQ-LEWJYISDSA-N 346.430 4.183 0 40 EIAB CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2OC)cc1 72331751 GMXODXVELJXFHZ-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1cc(F)ccc1F 84840182 YFEQCLQWNPNEAF-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB CC[C@H](C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1 85555055 AUDLLYJYSFJEIZ-FQEVSTJZSA-N 347.462 4.250 0 40 EIAB CC(C)(C)c1noc(CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 89725300 LMQZSFZFKVRRML-UHFFFAOYSA-N 336.439 4.138 0 40 EIAB CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccc(C)s1 96104775 CLYQFQAGBDSTKZ-BPLPYTOXSA-N 347.505 4.296 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2ccccc2Cl)cc1C 96659439 JXVJNHBFOULLOC-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C1CCCCCCCCCCC1 100936972 ZVXZYLUIOPONDY-PBWTXFEYSA-N 329.484 4.467 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cn3cc(Cl)ccc3n2)C1 101515130 HYYJOSJJVPAYDW-ACJLOTCBSA-N 331.847 4.029 0 40 EIAB C[C@@H]1CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C2=C(O)C1 101545533 UNIZIMLURLYACS-BLVKFPJESA-N 330.391 4.349 0 40 EIAB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(O)C[C@H](C)CC1=N2 102602519 IRZBQEJIIHYIIU-JDNHERCYSA-N 328.803 4.157 0 40 EIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1 113969699 BREVKZIZHAGURI-IBGZPJMESA-N 327.424 4.444 0 40 EIAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C)nc2C)s1 152279708 SZPZSLUHGPVZTN-CYBMUJFWSA-N 332.473 4.251 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2)cc1 219487632 LQSUSSNZXOMEMG-JXFKEZNVSA-N 341.451 4.366 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219582160 UGJHMXZAIAGQAT-QAPCUYQASA-N 329.415 4.477 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2cc(C)ccc2C)cc1 223980882 TWQYVBIMVBCGIL-UHFFFAOYSA-N 343.492 4.289 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc(C)c1 224440545 OYENXOQCSATZCP-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C 225595432 ZRNXVBAXZDACIA-NSHDSACASA-N 328.250 4.284 0 40 EIAB C[C@@H]1CCCN(c2c(Br)cc(N)cc2Br)C1 226316543 GPXXELZRHFTZPQ-MRVPVSSYSA-N 348.082 4.030 0 40 EIAB CC(C)N(c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C 226323561 CNRIYIYOCYWCKV-HZPDHXFCSA-N 331.504 4.010 0 40 EIAB COc1ccccc1NCCC(=O)c1ccc(Br)cc1 226762460 LZOWWKBSNFQHJE-UHFFFAOYSA-N 334.213 4.143 0 40 EIAB C[C@H]1CCC[C@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 521394009 HSNAAGPUGCCJQJ-PCODUJHASA-N 342.439 4.410 0 40 EIAB Cc1cc(Cl)ccc1OCc1nc(-c2ccc3nc[nH]c3c2)no1 547162273 RKWFXQLLKOSFFZ-UHFFFAOYSA-N 340.770 4.154 0 40 EIAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)c(C)o1 575609783 GYNUJHFCHMOVCB-SFHVURJKSA-N 341.432 4.088 0 40 EIAB CC(C)(C)N(Cc1ccsc1)C(=O)c1coc(-c2cccnc2)n1 622902669 ORCMJWKUYAWUQB-UHFFFAOYSA-N 341.436 4.239 0 40 EIAB CC(C)(C)c1ccc(Cl)cc1NC(=O)Cc1cnn2ccccc12 1530375746 WKBSJZIDAHTSLR-UHFFFAOYSA-N 341.842 4.466 0 40 EIAB COc1ccc2c(Cl)c(C(=O)NCc3ccccc3)sc2c1 45996 AIOMZQHAXDMUBA-UHFFFAOYSA-N 331.824 4.493 0 40 EIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 131889 GNRJDHXQODWHCL-OUKQBFOZSA-N 337.419 4.314 0 40 EIAB Fc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 340640 AQOUASCFRHIMFY-UHFFFAOYSA-N 329.338 4.103 0 40 EIAB O=C(OC1CCCC1)c1ccc(Br)cc1Br 363891 PJSDARSBFFEHNB-UHFFFAOYSA-N 348.034 4.311 0 40 EIAB CCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1OCC 422226 RLXFSGIKVSGHEQ-UHFFFAOYSA-N 340.379 4.210 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2ccccc2c1 3330250 NGZFHRAZFLSEQS-FQEVSTJZSA-N 348.446 4.390 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccccc1 3333953 IAYOTLGMXMTJJO-UHFFFAOYSA-N 339.826 4.106 0 40 EIAB O=C(COC(=O)c1ccccc1)Nc1ccccc1-c1ccccc1 3466381 PDRMCHIXVJFYLX-UHFFFAOYSA-N 331.371 4.149 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3560919 CGLJCFXQGBIANB-UHFFFAOYSA-N 339.313 4.165 0 40 EIAB COc1ccc([C@@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@H]32)cc1 3905313 OEQNJRVAURILHT-LPHOPBHVSA-N 331.419 4.096 0 40 EIAB CSc1ccccc1C(=O)Nc1nc(-c2ccncc2)cs1 4303501 LGSLMLFRWUGKFY-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1 4393790 JPUSHEKTPNKYBC-CYBMUJFWSA-N 339.366 4.054 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)/C=C/c2ccccc2)o1 4585554 LHISJSHSAMGPOB-VAWYXSNFSA-N 337.404 4.110 0 40 EIAB O=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4882588 RFUVNHLSTXCMKN-LQDVMPOASA-N 333.863 4.009 0 40 EIAB CCCCn1nc(NC(=O)CCC)c2cc3cc(OC)ccc3nc21 5556562 ZYSBXXKDSQHZIK-UHFFFAOYSA-N 340.427 4.132 0 40 EIAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 6003986 RSRJHQBTDDBRBW-CYBMUJFWSA-N 331.437 4.204 0 40 EIAB c1ccc(OCCNc2ncnc3sc4c(c23)CCCCC4)cc1 6510176 VBTXFCSSGCNOFE-UHFFFAOYSA-N 339.464 4.451 0 40 EIAB COc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1cccs1)=N2 6556714 LDSOPXXGHHHCAT-UHFFFAOYSA-N 347.443 4.499 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CSc2nc3ccccc3o2)C1 7780570 IXAKJWOCSHFBQV-BFUOFWGJSA-N 344.480 4.347 0 40 EIAB Cc1cc(C)cc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1 7794217 XGKRQTKWCIDVRQ-UHFFFAOYSA-N 337.375 4.081 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3cc(Cl)ccc3s2)cc1 8560670 KEWGONGBCKZQJC-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CCc1ccc(N2C[C@H](c3nc(-c4cccc(C)c4)no3)CC2=O)cc1 9318697 HCXWILKDQCUPGV-QGZVFWFLSA-N 347.418 4.128 0 40 EIAB COc1cccc(CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 9455997 LCDDTGKPVCUXAY-FQEVSTJZSA-N 337.444 4.205 0 40 EIAB Cc1nnc(CSc2nc(-c3cccs3)nc3ccccc23)o1 9499560 UBLSAWSBJZBLAI-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccc(Br)s1 10782798 HTUHTYNBZOOHPO-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB Cc1cccc(CNC(=O)Cc2sc(C)nc2-c2cccs2)c1 11905899 CKPGPUYTFKNNLY-UHFFFAOYSA-N 342.489 4.347 0 40 EIAB O=C(CC1CCCC1)N1CCC(c2onc3c2CCCCC3)CC1 12119967 NIYXSGXWMRRBGB-UHFFFAOYSA-N 330.472 4.230 0 40 EIAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCn2cccc2[C@H]1C(C)C 12147490 SHMLMFDFUGPITR-HXUWFJFHSA-N 348.450 4.040 0 40 EIAB Cc1ccc(CNc2ncc(-c3ccccn3)c(-c3ccco3)n2)o1 12223316 NWWDVPWUCDPWGK-UHFFFAOYSA-N 332.363 4.312 0 40 EIAB Cc1ccc(-c2nc(N3CCC[C@H](C)C3)ncc2-c2ccncc2)cn1 12232730 CHGLKJBBUHUQCS-HNNXBMFYSA-N 345.450 4.145 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cn3cc(Cl)ccc3n2)C1 12323489 HYYJOSJJVPAYDW-FZKQIMNGSA-N 331.847 4.029 0 40 EIAB COc1ccc(/C=C2\C(=O)Nc3ccccc32)c2c(OC)cccc12 12468843 ZEPTWTMWCZLVOW-VBKFSLOCSA-N 331.371 4.350 0 40 EIAB O=C(c1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3[nH]2)CC1 12535518 WFULDCPLUFBJPM-UHFFFAOYSA-N 345.446 4.071 0 40 EIAB Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](C)C2 12653613 PPISIGQOAHKBEF-OAHLLOKOSA-N 349.478 4.009 0 40 EIAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(C)=O)c1 13006141 GKMBBMZIAJQXKL-UHFFFAOYSA-N 325.286 4.465 0 40 EIAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3cscn3)[nH]c2cc1C 13226769 YFSARKUXABSURV-MRXNPFEDSA-N 340.452 4.004 0 40 EIAB CC(C)(C)c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 13550353 RMOJNFNSEBDPRS-UHFFFAOYSA-N 330.240 4.395 0 40 EIAB O=C(CCCOc1ccccc1)NCCSCc1ccccc1F 13613695 ZMOPJJPHLXVGSQ-UHFFFAOYSA-N 347.455 4.034 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1C 13670332 WFJPVENRLYACOF-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1ccc(CCN(C)C(=O)Nc2cccc(Cl)c2)cc1OC 14015371 RSCNWHWFYFEBQU-UHFFFAOYSA-N 348.830 4.064 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCC2)o1 15860164 RUYUWYGAUKAFSA-KRWDZBQOSA-N 346.858 4.198 0 40 EIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 16088281 ZLPVKKDHZDNWCK-FQEVSTJZSA-N 337.444 4.063 0 40 EIAB Cc1cccc2sc(NC(=O)[C@@H]3Cc4ccccc4S3)nc12 21447399 AMTWYBTYIJDXET-AWEZNQCLSA-N 326.446 4.260 0 40 EIAB O=C(NC12CC3CC(CC(C3)C1)C2)C1(c2cccc(F)c2)CCC1 22841589 WXSBYKMDALRESX-UHFFFAOYSA-N 327.443 4.332 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)n[nH]2)s1 23108132 XFYMKCYYXICNAE-KBPBESRZSA-N 329.469 4.099 0 40 EIAB O[C@H](Cn1c(-c2cscn2)nc2ccccc21)c1ccc(F)cc1 25225778 RPBNRFTULGQQRI-QGZVFWFLSA-N 339.395 4.033 0 40 EIAB CCOc1ccc(NC(=O)C[C@@H]2COc3cc(C)cc(C)c32)cc1 27345153 QROCPJTXQMJLPF-OAHLLOKOSA-N 325.408 4.207 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3cccnc3)o2)cc1C 28006644 NLYWXGKXUPAUFE-INIZCTEOSA-N 349.434 4.163 0 40 EIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)[C@H]1C[C@H]1c1ccccc1 28241827 YXFOTMPWWXBDAU-ROUUACIJSA-N 337.810 4.268 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCSc1ccc(C)cc1 30859742 VMHSJYRLAJTEMA-MRXNPFEDSA-N 343.492 4.233 0 40 EIAB Cc1ccc(-c2nc(C(=O)Nc3nc(C4CC4)cs3)cs2)o1 31287543 TZCZOSDCMUESPS-UHFFFAOYSA-N 331.422 4.298 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1F 31537152 PZMIIQYSQWWQJZ-UHFFFAOYSA-N 349.365 4.034 0 40 EIAB COP(=O)(OC)[C@@H](/C=C(/Cl)c1ccc(Cl)cc1)N(C)C 33373978 DHZCWIZTPPQFDC-SRXBQZRASA-N 338.171 4.293 0 40 EIAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 38756295 UMMUIWQBJSNCHM-QGZVFWFLSA-N 341.451 4.348 0 40 EIAB CC1(C)CCCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)C1 39767259 KAILKJPFLWQXQX-UHFFFAOYSA-N 348.918 4.201 0 40 EIAB C[C@@H](Sc1ccccc1F)C(=O)Nc1cccc2ncccc12 40049311 ZURPRKSCXTZXMU-GFCCVEGCSA-N 326.396 4.493 0 40 EIAB O=C(Nc1cccc2c1CCCC2)N1CCC[C@@H](C(F)(F)F)C1 40098194 WRBVASWGCCTVQD-CYBMUJFWSA-N 326.362 4.372 0 40 EIAB O=S(=O)(Cc1ccccc1)Cc1coc(-c2ccc(Cl)cc2)n1 44640751 LRNXPRGOQYMXLI-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB O=C(C[C@H]1CCCO1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 49621381 BJDDJPUUVNONCG-UTKZUKDTSA-N 335.403 4.208 0 40 EIAB CC(C)Cc1noc(CN[C@H](c2cccnc2)C2CCCCC2)n1 65539733 YRILXHRVLGQBME-IBGZPJMESA-N 328.460 4.074 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(NCc3ccccn3)cc2)c1 69434442 WPDJPUFIJOXWHL-UHFFFAOYSA-N 347.418 4.345 0 40 EIAB CC(C)c1nccn1Cc1cccc(NC(=O)/C=C/c2cccnc2)c1 69518125 VUJUESCPSBKMDL-CMDGGOBGSA-N 346.434 4.102 0 40 EIAB CCc1nc(CC(=O)Nc2scnc2-c2ccc(F)cc2)cs1 69557616 XWHSHADVAKHFFO-UHFFFAOYSA-N 347.440 4.149 0 40 EIAB CC(=O)Nc1cc(NC(=O)c2nc(C(C)C)cs2)ccc1Cl 69618380 DENCTDFQATUHTH-UHFFFAOYSA-N 337.832 4.131 0 40 EIAB O=C(c1cccc(OCc2ccccc2)c1)N1CCCc2ncccc21 71793279 VCMYDNAXLCIQCA-UHFFFAOYSA-N 344.414 4.254 0 40 EIAB COc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2F)c(C)c1 72190881 KKQZXWRNNHFQSK-UHFFFAOYSA-N 329.371 4.053 0 40 EIAB CCN(C)c1ccccc1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 72282555 IZQRMDGMRWIFHY-UHFFFAOYSA-N 340.427 4.054 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(F)cc1Cl 72331680 SBZAQPDRYDELSO-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB Cc1sc2c(C3CCN(Cc4ccncc4)CC3)nc(C)n2c1C 72351261 OOLJHKRKEPGDKA-UHFFFAOYSA-N 340.496 4.096 0 40 EIAB C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F 79029628 NVTCGDWNNCBRNZ-CYBMUJFWSA-N 330.378 4.260 0 40 EIAB Cc1nc(C)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Cl)cc2)o1 95449927 WMXLUXMNABVBSK-LBPRGKRZSA-N 346.736 4.368 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 96415165 JYCLMSDMTJJAPA-PXAZEXFGSA-N 333.382 4.214 0 40 EIAB C[S@@](=O)Cc1cc(NCc2ccc(F)cc2F)ccc1Cl 97084916 KAYAMLIKWIBDFP-NRFANRHFSA-N 329.799 4.109 0 40 EIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 219039590 UTWAKZAODHVNTC-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219039653 UTWAKZAODHVNTC-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB CCCOc1ccccc1CCCNC(=O)c1ccc(OCC)cc1 219956647 XTOGOCPUSUDARV-UHFFFAOYSA-N 341.451 4.237 0 40 EIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Cl)S1 222559011 ZWDRDVQDXSTWIW-XZJROXQQSA-N 329.856 4.324 0 40 EIAB O=C(Cc1cccc(Cl)c1)NCCOc1ccc2ccccc2c1 223641509 DTJJBQDPCDWDLR-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@H]3[C@@H]12 257173271 IBROMFNXVVTFTM-CWJKEVGVSA-N 348.446 4.426 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1Cl 408588842 ZOGAWHXBGVHFMH-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CC(C)C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1cccc1 575442995 CHKDCQAXLGPCHN-ZDUSSCGKSA-N 325.334 4.128 0 40 EIAB CC(C)n1ncc(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1C1CC1 1615558168 RMSAICRRNMHNOX-MRXNPFEDSA-N 327.403 4.149 0 40 EIAB C[C@H](C(=O)Nc1nc2c(o1)CCCC2)c1cccc(Br)c1 1637312850 RUVBRWMUABGSEZ-JTQLQIEISA-N 349.228 4.058 0 40 EIAB O=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 71552 OVWBIJOVHFXXBG-UHFFFAOYSA-N 347.399 4.491 0 40 EIAB Cc1ccc(C(=O)Oc2cccc(C(=S)N3CCCCC3)c2)cc1 193163 GMZCPCXUXHAPSI-UHFFFAOYSA-N 339.460 4.376 0 40 EIAB C[C@@H]1CCc2sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c3c2C1 496325 VXWLXALUCVCXRD-LLVKDONJSA-N 342.489 4.294 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 3351736 ATLQBARUTPQUGB-UHFFFAOYSA-N 329.705 4.169 0 40 EIAB CC(=O)Nc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 3553806 WRJFUILRWIVOSL-UHFFFAOYSA-N 337.206 4.133 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1 4072400 VZRSWXSTSYEMGN-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1 4725009 QJKZTNUEVIQERO-FMIVXFBMSA-N 343.452 4.246 0 40 EIAB CCOC(=O)CC(=O)CSc1nc2c(C)cc(C)cc2cc1CC 4849492 XBURLEAYTURUKA-UHFFFAOYSA-N 345.464 4.028 0 40 EIAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)cc1 6230384 RQDKBNNYJVAKLU-UHFFFAOYSA-N 339.366 4.270 0 40 EIAB Fc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12 6559938 ONKKDYJXTGAGJI-UHFFFAOYSA-N 330.366 4.443 0 40 EIAB Fc1ccc(NC(=S)NCCOc2ccc3ccccc3c2)cc1 8108866 QIVHBDXQUXYUMK-UHFFFAOYSA-N 340.423 4.344 0 40 EIAB O=C(NCc1ccccc1)c1cccc(OCCOc2ccccc2)c1 8121356 IAKVJRANFOHYQZ-UHFFFAOYSA-N 347.414 4.074 0 40 EIAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1ccccc1Cl 8710136 GLPOXWAQMCVBSX-LLVKDONJSA-N 331.828 4.107 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 9107191 GKWMCVLDHVDLEK-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB CC1=C(C)[C@H](c2c(C)n(C)c3ccccc23)N(Cc2ccco2)C1=O 9668897 GKGUYGIPISCSMG-HXUWFJFHSA-N 334.419 4.500 0 40 EIAB CC[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(C)cc1 12974626 HDOLTEKVHRPXFL-HNNXBMFYSA-N 327.453 4.133 0 40 EIAB O=C(Oc1cccc(N2CCCC2=O)c1)c1cccc(C(F)(F)F)c1 15637095 GRESLVJBCFBXKL-UHFFFAOYSA-N 349.308 4.051 0 40 EIAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ccncc3)sc1-2 17584204 ZSMUQJPVRAXWCE-UHFFFAOYSA-N 336.416 4.170 0 40 EIAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccccn1 18702091 LZQSAUDIEXQPCJ-UHFFFAOYSA-N 337.345 4.199 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20040204 OMOJYPSWCGENBM-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB COc1ccc(CN(C)c2nc(C)nc3sc(C)c(C)c23)cc1F 22357385 WJXKNAVUSDYUQO-UHFFFAOYSA-N 345.443 4.401 0 40 EIAB O=C(/C=C/c1ccccc1OC(F)F)NCC1(c2ccccc2)CC1 22521741 DQWPMEJVZINBTL-ZHACJKMWSA-N 343.373 4.149 0 40 EIAB CCOCCCNC(=O)c1cccnc1Sc1ccc(C)c(C)c1 23074894 DUZBXOSQXGIODB-UHFFFAOYSA-N 344.480 4.006 0 40 EIAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(CN(C)C)cc3)c2c1 24794810 SACMZBGLLTWFOD-UHFFFAOYSA-N 335.451 4.028 0 40 EIAB Cc1nc(-c2ccco2)nc2sc(C(=O)NCC3CCC3)c(C)c12 26142838 WUFHFNCLTXHZFC-UHFFFAOYSA-N 341.436 4.098 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)cc1 27384463 JIAYTLKVDREPMG-VUSFMPOISA-N 336.435 4.175 0 40 EIAB C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1 28805367 VAMQWEYJEPSTOZ-LBPRGKRZSA-N 329.831 4.053 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 28910094 IMLOLQXFLYJOIE-CYBMUJFWSA-N 337.341 4.098 0 40 EIAB Cc1nn(C)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 28923015 ZVAFGTLKTJTLPN-LJQANCHMSA-N 349.825 4.371 0 40 EIAB Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 32609935 WCYOKQZYGIGOKA-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 32754136 DHYDKFSOLCNUPD-SFHVURJKSA-N 337.419 4.020 0 40 EIAB COCc1c(C(=O)OCc2cccc(F)c2F)oc2ccccc12 32823753 LOZUGZKNHPEIMG-UHFFFAOYSA-N 332.302 4.214 0 40 EIAB C[C@@H](c1nnnn1-c1ccccc1)N(C)Cc1ccc(C(C)(C)C)cc1 32916348 BQEIUYPGZJQNJF-INIZCTEOSA-N 349.482 4.153 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CCCOc2ccc(OC)cc2)cc1 36623383 ZQHKCTWUBQMHGH-MRXNPFEDSA-N 341.451 4.294 0 40 EIAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2c2cccs2)n1 40516130 LVUAHGIIUQFKDF-ZDUSSCGKSA-N 347.484 4.115 0 40 EIAB CC(C)c1cc(Br)ccc1OCC[C@@H]1CCCCN1 42770424 QTMKXLCAEVNSRG-AWEZNQCLSA-N 326.278 4.484 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)s1 43277833 VPZIUERSWBFOTC-UHFFFAOYSA-N 343.471 4.485 0 40 EIAB Cc1nc(-c2ccc(CC(=O)N[C@H]3CCc4ccccc43)cc2)cs1 46179696 FCRNDRKQAQJQSM-IBGZPJMESA-N 348.471 4.465 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 47209477 CNGTUDCVYLLYTM-AWEZNQCLSA-N 341.407 4.253 0 40 EIAB CC(C)Oc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cn1 49763992 QIWXZOOKQFHPRZ-SFHVURJKSA-N 339.439 4.021 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN[C@H](C)c1ccccc1OC 57870851 WAITZZGIUHKLHE-OAHLLOKOSA-N 340.467 4.109 0 40 EIAB COc1ccc(Cc2cnc(Nc3ncnc4ccccc34)s2)cc1 58593174 DJSXPWMLMYOXQL-UHFFFAOYSA-N 348.431 4.429 0 40 EIAB CCn1cc(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c2ccccc21 62515520 MUJGQCMOPAREEN-KKSFZXQISA-N 348.446 4.263 0 40 EIAB Cc1noc([C@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 64334911 QPLCTYRHOBCQAV-GXFFZTMASA-N 347.484 4.082 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1 69738982 DGARJUGWZITOSO-LBPRGKRZSA-N 340.379 4.132 0 40 EIAB CC(=O)c1csc(NC(=O)c2ccc(-c3ccsc3)nc2C)n1 71185533 VWQHQGQZRFQBTH-UHFFFAOYSA-N 343.433 4.030 0 40 EIAB COc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760799 IFHYLWLIKPUGOZ-UHFFFAOYSA-N 342.342 4.403 0 40 EIAB O=C(Nc1ncc(-c2ccccc2)s1)[C@@H]1CCOc2ccccc21 76791273 CMGYDWLRHYYJRT-OAHLLOKOSA-N 336.416 4.315 0 40 EIAB C[C@H](CCc1ccccc1)OC(=O)c1ccc2nc(N)sc2c1 84638198 XKAZYCCMAXBNTB-GFCCVEGCSA-N 326.421 4.057 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Cc1ccc[nH]1 90063919 GKOWTCASNOAFMS-AWEZNQCLSA-N 339.464 4.209 0 40 EIAB CCO[C@H](C)c1nccn1Cc1csc(-c2cccc(OC)c2)n1 95976416 MZSVPEHKOHCZOK-CYBMUJFWSA-N 343.452 4.161 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2ccc(F)c(-n3cccc3)c2)c1C 96434890 NWLSEIWIWFZVQQ-UHFFFAOYSA-N 341.390 4.094 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1 96445958 ZWSCSMCMDWEPMI-GFCCVEGCSA-N 331.416 4.001 0 40 EIAB Cc1nc2ccccc2c(N2CCC(OC3CCOCC3)CC2)c1C 97371922 UAVLHLFZDMORKK-UHFFFAOYSA-N 340.467 4.016 0 40 EIAB Cc1cc(C)cc(C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2C)c1 100577831 FJHHMJBLNFJIIM-KSSFIOAISA-N 341.838 4.325 0 40 EIAB CS[C@H](C)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 103404967 RVXVXRLGCSZLNA-SSDOTTSWSA-N 346.399 4.226 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 113970194 FBKOVHYIDJAYGL-SFHVURJKSA-N 327.424 4.498 0 40 EIAB CCc1ccc([C@H](C)NCc2ccc(-n3ccnc3C)nc2)s1 126496787 YULWCCRXVZOZAI-ZDUSSCGKSA-N 326.469 4.050 0 40 EIAB COc1ccc(NC(=O)Nc2ccc(O)cc2C)cc1OC(C)C 190282201 VHDBVQFACYJQCS-UHFFFAOYSA-N 330.384 4.140 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 218966851 FLKGUKFNJUOOLI-QGZVFWFLSA-N 325.452 4.128 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1C 224926000 GMKRWFNPLVJIPB-NRFANRHFSA-N 337.463 4.348 0 40 EIAB Cc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1Cl 225079646 BBFMOMDHROGXIG-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1c(F)cccc1F 225250558 XGPOSNJEMXFFIU-GFCCVEGCSA-N 331.362 4.250 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)CCc2ccccc2F)c1 225432619 TUJNLNOJBOQXJF-UHFFFAOYSA-N 343.442 4.295 0 40 EIAB CCc1ccc(NC(=O)c2snnc2-c2cccc(OC)c2)cc1 225765596 BSVXFLNQIPWZLD-UHFFFAOYSA-N 339.420 4.028 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@H](Cc2ccc3cnccc3c2)CC1 257299754 RRKQQGGIESLYAO-INIZCTEOSA-N 349.434 4.016 0 40 EIAB O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1 500900790 TZNKAGOHDABQEE-CVEARBPZSA-N 335.407 4.126 0 40 EIAB Clc1ccc([C@@H](Cc2cccnc2)NCC2CCOCC2)cc1 546873172 DHLWWYJOBAQLPS-LJQANCHMSA-N 330.859 4.035 0 40 EIAB CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1 565322016 LDEXAXQTYJEBKM-GOSISDBHSA-N 341.459 4.013 0 40 EIAB CC(C)(CC(=O)N1CC[C@@]2(CCCOC2)C1)Cc1ccc(Cl)cc1 585081250 SSFQTZUIVXHJDU-FQEVSTJZSA-N 349.902 4.328 0 40 EIAB Cc1ccc(NC(=O)Cc2nc(C3CCCCC3)cs2)cc1O 1635794368 DJDXFVCSLCOABG-UHFFFAOYSA-N 330.453 4.386 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c1 1776000900 PBHHOXFDFVXPQU-KRWDZBQOSA-N 339.439 4.021 0 40 EIAB Cc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)CC2=O 125016 YDYPQVKDHUKGLR-QGZVFWFLSA-N 330.767 4.221 0 40 EIAB biogenic COc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1 412028 ZDFBCELRDRTOHI-UHFFFAOYSA-N 329.359 4.474 0 40 EIAB Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 427681 WOPUGMNDPRRTGL-GFCCVEGCSA-N 331.437 4.110 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 479890 CPWCFFCSYBULII-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB COc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 554670 GXDYAPBUVMXHJY-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Cc1cc(C)cc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c1 581871 QANJWBOQZIWRGP-UHFFFAOYSA-N 341.835 4.062 0 40 EIAB Clc1ccc(OCCOCCOc2ccc(Cl)cc2)cc1 1599571 SDSHYQWZTHPGLQ-UHFFFAOYSA-N 327.207 4.468 0 40 EIAB O=C1C[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 2173763 KAEAITWIXLBOTC-XPWALMASSA-N 328.411 4.415 0 40 EIAB CN(C)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 4059050 PFIXPBZMGFHMKS-UHFFFAOYSA-N 329.450 4.190 0 40 EIAB O=C(Nc1ccccc1Cl)c1ccc(Br)cc1F 4070165 GLCLQSQDAYMXSI-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 4671167 AWDHBGKVQYBCHT-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB Cc1ccc(NC(=O)COCc2nc3ccccc3s2)c(C)c1 6788951 KXBVIXXEIYVKPE-UHFFFAOYSA-N 326.421 4.068 0 40 EIAB Cc1occc1-c1nnc(SC[C@H]2CCCO2)n1-c1ccccc1 6979558 UFZCQPXSCDFADE-OAHLLOKOSA-N 341.436 4.107 0 40 EIAB Cc1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1C 7070196 XWAJCYKKOAUQEH-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB Cc1ccccc1-n1ccnc1SCC(=O)NC1CCCCCC1 7283404 ZLSSUGYRWGYKGM-UHFFFAOYSA-N 343.496 4.112 0 40 EIAB Cc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 7346006 TYDSYIXXECKJBC-UHFFFAOYSA-N 333.391 4.176 0 40 EIAB Cc1ccc(CSc2nc(CC(=O)NCCC(C)C)cs2)cc1 8936153 QVLJLFVVOMUDGJ-UHFFFAOYSA-N 348.537 4.449 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)NC(C(C)C)C(C)C)CC1 9062895 XROUBZKMWXOLKR-UHFFFAOYSA-N 330.516 4.004 0 40 EIAB CSc1ccc(Cl)c(C(=O)NCc2ccccc2CN(C)C)c1 9917212 ORQYKSKQZOXAIM-UHFFFAOYSA-N 348.899 4.054 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccccc3)cc(C(=O)O)c12 12395966 NKMPEDPNAQDAKJ-UHFFFAOYSA-N 347.349 4.233 0 40 EIAB CC(C)c1ccc(CN(C)[C@@H](C)C(=O)NCc2cccs2)cc1 12767472 FRSZFMJMNNWBIN-HNNXBMFYSA-N 330.497 4.008 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 13001328 UZOQMCDCKQAGFT-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 14553019 OWZQIBPKKUCGBZ-LBPRGKRZSA-N 334.213 4.164 0 40 EIAB CCCOc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 15669848 LDHBJDJRINGMNJ-UHFFFAOYSA-N 336.391 4.310 0 40 EIAB CCOCCCNC(=O)c1ccccc1Nc1cccc(C)c1C 17401286 YIODYIVBXGABDC-UHFFFAOYSA-N 326.440 4.203 0 40 EIAB CC(C)c1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)no1 19452771 VVFPRAMRHFJFGF-UHFFFAOYSA-N 327.409 4.098 0 40 EIAB C[C@@H](NCc1ccc(-c2ccccc2F)o1)[C@H](O)c1ccccc1 20312678 LLHIIAUCPXOGKE-VLIAUNLRSA-N 325.383 4.297 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(C)cc1 22912966 HZUWZYGIHQPFJK-HUUCEWRRSA-N 329.465 4.362 0 40 EIAB O=C(CCc1ccc(-c2ccccc2F)o1)NOCc1ccccc1 23040095 XREXRZDCGSCZJC-UHFFFAOYSA-N 339.366 4.266 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)c3c(C)nn(C)c3C)cc2)cc1 23174968 OSVVIXPRSRFJGQ-UHFFFAOYSA-N 335.407 4.390 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1F 24077849 SLQVKSONYRYANJ-ZDUSSCGKSA-N 340.398 4.423 0 40 EIAB Cc1cc(=O)oc(C)c1C(=O)OCc1sc2ccccc2c1Cl 26017277 MXORFFQHDQEQKC-UHFFFAOYSA-N 348.807 4.482 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)s1 27921318 IFGWFEYMOMUESQ-UHFFFAOYSA-N 325.437 4.170 0 40 EIAB CCc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 27970465 NRDUYYVUISMTKD-UHFFFAOYSA-N 333.435 4.363 0 40 EIAB Cc1nn(-c2ccc(NC(=O)Cc3cccs3)cc2)c(C)c1Cl 28239509 QQRQWQZUJHGVAQ-UHFFFAOYSA-N 345.855 4.385 0 40 EIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1cccc(F)c1 28305888 SXAGWVNTVKFIRI-UHFFFAOYSA-N 347.752 4.115 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(C)=O)c1 30865276 XSWIICQNPIYQQQ-INIZCTEOSA-N 331.799 4.339 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 31133654 HDIWHJQGTUXHPT-WDEREUQCSA-N 339.844 4.055 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 31663501 DBTSNQDVZQPXJR-UHFFFAOYSA-N 339.370 4.146 0 40 EIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C(C)C)cc2)cc1 35480819 QNZFVWPGCSTSBC-UHFFFAOYSA-N 335.411 4.232 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccnc2Sc2ccccc2)C1 36714461 UTKSLGCZAKSYFA-HUUCEWRRSA-N 326.465 4.351 0 40 EIAB COc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc(OC)c1 40097728 CVHPHLDRQNUAAI-LLVKDONJSA-N 334.803 4.240 0 40 EIAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1F 40107077 FKUKNFFUXSXSJR-UHFFFAOYSA-N 326.302 4.404 0 40 EIAB O=C(Nc1cccnc1)c1ccc2ccn(Cc3ccccc3)c2c1 40286696 XYOOSRJIYROWTO-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 48253537 XJIYZGOWINQQKP-CRBCFSCISA-N 336.222 4.309 0 40 EIAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc2ccccc2n1 48265418 QXKJCJFUDBNUGK-UHFFFAOYSA-N 348.299 4.323 0 40 EIAB CC(=O)c1ccc(-c2ccc([C@H]3CC(O)=Nc4c3cnn4C)o2)cc1 49543972 XEHHBPOSYFXNME-AWEZNQCLSA-N 335.363 4.006 0 40 EIAB Cc1ccc2c(CC(=O)OCc3noc(C(C)(C)C)n3)coc2c1C 50257273 LDARDCVNLLXBKR-UHFFFAOYSA-N 342.395 4.016 0 40 EIAB c1coc(-c2noc(CNc3ccccc3N3CCCCCC3)n2)c1 56164040 JPXIHNSUKQDDDP-UHFFFAOYSA-N 338.411 4.322 0 40 EIAB CC(C)CN(C)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 58011011 LJEGQGCUMBTODI-LJQANCHMSA-N 338.451 4.032 0 40 EIAB COCc1cccc(CNC(=O)CCc2ccc(C(C)C)cc2)c1 58099667 WWCVYYMMYRRSFT-UHFFFAOYSA-N 325.452 4.205 0 40 EIAB O=C(COC(=O)c1ccsc1)c1ccc2c(c1)Cc1ccccc1-2 60901182 AKRSJEMRQJBLJG-UHFFFAOYSA-N 334.396 4.359 0 40 EIAB Cc1ccoc1C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 62233840 WOPFEFDKFPSNJU-UHFFFAOYSA-N 344.411 4.207 0 40 EIAB Cc1ccc(C[C@H]2CCCN(Cc3noc(CC(C)C)n3)C2)cc1 65254203 DCIGGPDFGMXYGK-GOSISDBHSA-N 327.472 4.031 0 40 EIAB CCSCc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 65531821 UNURJZXHOZENHA-INIZCTEOSA-N 346.521 4.416 0 40 EIAB c1cn(-c2ccc3cn[nH]c3c2)c(-c2ccc([C@@H]3CCCCO3)o2)n1 67742961 XWGVTBMPDHGHRG-INIZCTEOSA-N 334.379 4.250 0 40 EIAB O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]1c1ccc[nH]1 68103019 WLYUBUWOSQPDQG-QGZVFWFLSA-N 327.815 4.056 0 40 EIAB C[C@H](OC(=O)c1cccc2cnccc12)C(=O)c1ccc2c(c1)CCC2 72312550 FLDBGKZPOQOHCB-AWEZNQCLSA-N 345.398 4.152 0 40 EIAB O=S(=O)(c1ccc(Cl)s1)N1CCC(c2cccs2)CC1 75157069 OOMFYTZNZYAKDW-UHFFFAOYSA-N 347.914 4.031 0 40 EIAB Cc1csc(CN(C)Cc2ncc(-c3ccccc3Cl)o2)n1 75748724 JQWZCXFNNCWKAX-UHFFFAOYSA-N 333.844 4.392 0 40 EIAB Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(Br)cc2)cc1 76082230 GTKSAFUNXMBERJ-GUYCJALGSA-N 334.257 4.142 0 40 EIAB FC(F)(F)COc1cc(Cl)ccc1NCc1nnc(C2CC2)o1 86208399 SXLXTSREIXBYNE-UHFFFAOYSA-N 347.724 4.154 0 40 EIAB C1=C([C@@H]2CCCC[C@H]2NCCc2nnc(-c3ccco3)[nH]2)CCCC1 89672844 LKEVLVPXNHSYAR-DLBZAZTESA-N 340.471 4.256 0 40 EIAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(Nc2ccccc2)cc1 89845714 ROKBDKSRPMYQRJ-UHFFFAOYSA-N 346.386 4.340 0 40 EIAB Cc1ncsc1CN(C)C(=O)c1ccc(Oc2ccccc2)o1 95407186 VZLKAGMIGDQSMS-UHFFFAOYSA-N 328.393 4.109 0 40 EIAB COc1ccc2c(OCc3csc([C@H]4CCCO4)n3)ccnc2c1 95442472 AEIURQGOERGEDO-QGZVFWFLSA-N 342.420 4.130 0 40 EIAB COc1c(Cl)cccc1NC(=O)N[C@@H](c1nccs1)C1CC1 96434298 RYHPDJRYTLUQRL-GFCCVEGCSA-N 337.832 4.078 0 40 EIAB COc1cc(CNc2cccnc2OC(C)C)c(SC)cc1OC 97002737 UKYPCXLATGHIGL-UHFFFAOYSA-N 348.468 4.220 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 103479331 IPYLRZNOWBRKOU-MROQNXINSA-N 337.261 4.395 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 222860523 RXJGKSHGXOTHFE-SFHVURJKSA-N 331.843 4.246 0 40 EIAB CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 223450989 CEVLYZJVRYWVCF-FQNOHDAGSA-N 349.471 4.058 0 40 EIAB C[C@@H](CCc1ccccc1)OC(=O)c1snnc1-c1ccccc1 223832188 RXOJIWFQZYGSLX-AWEZNQCLSA-N 338.432 4.383 0 40 EIAB CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224669779 OQESLLDIIVHTRR-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB O=C(NCCOc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 225112370 AUXKYIALTYLLJJ-UHFFFAOYSA-N 343.854 4.347 0 40 EIAB S=C(NCCCc1ccccc1)Nc1ccccc1Br 243360254 LZXQUAQKUITNAF-UHFFFAOYSA-N 349.297 4.368 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)cc2)S1 260763044 IEPSDEGHUBKREL-XFBWCDHKSA-N 329.856 4.324 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2O)ccc1OC 408607561 MVEPBWOZXCPDCD-WEVVVXLNSA-N 347.798 4.105 0 40 EIAB CCc1cc2c(Nc3cccc(C[S@](C)=O)c3)nc(C)nc2s1 603300031 ZPBANLPSJBXZGY-QHCPKHFHSA-N 345.493 4.184 0 40 EIAB Cc1nc(C(C)C)oc1COc1cccc2c1[C@H](O)CC(C)(C)O2 1615555984 GCLDTIDMZKTBBO-CYBMUJFWSA-N 331.412 4.280 0 40 EIAB C[C@]12C[C@@H](c3ccccc3)N(C3CCCC3)[C@H]1CCCCC(=O)N2 2037834652 ZCBUBJFLUNJWOL-ZJOUEHCJSA-N 326.484 4.194 0 40 EIAB O=C(CSc1nnc(-c2ccccc2O)o1)c1ccc(Cl)cc1 411881 CHLPXIDKWUXGMX-UHFFFAOYSA-N 346.795 4.071 0 40 EIAB CC1(C)Cc2c(sc3nc(-c4ccc(Cl)cc4)oc(=O)c23)CO1 544053 MSIZMLLWZNQALN-UHFFFAOYSA-N 347.823 4.421 0 40 EIAB CC(C)Oc1ccc(C(=O)OCC[C@H]2CCCN3CCCC[C@H]23)cc1 1805980 FMEJIPSHYUISGF-YLJYHZDGSA-N 345.483 4.285 0 40 EIAB biogenic CC(=O)c1cccc(NC(=O)COc2c(Cl)cccc2Cl)c1 3611447 RXUKRVLJTANOEV-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB Cc1cccc(-c2nnc(NC(=O)c3c(F)cccc3F)s2)c1 4072464 BHTPKEKYICYLPB-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc2ccccc2c1 4121600 PFRXKGHUBZMKFB-UHFFFAOYSA-N 348.427 4.245 0 40 EIAB CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 6785736 PATHSCLOCSCHLN-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB Cc1ccc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c(C)c1 8313904 AZWPCEPGJPPUPU-UHFFFAOYSA-N 346.810 4.070 0 40 EIAB CC1CCN([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)CC1 8318233 HCIVKSLZTFPCSE-GFCCVEGCSA-N 328.428 4.060 0 40 EIAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1 9227678 LYZSVJFDDIQDGF-XNTDXEJSSA-N 327.430 4.470 0 40 EIAB c1ccc2nc(-c3nn4c(C5CCCCC5)nnc4s3)ccc2c1 9484519 GSIBITHOIZTEGZ-UHFFFAOYSA-N 335.436 4.449 0 40 EIAB O=C(O)/C=C/c1cccc(OCc2ccc(Br)cc2)c1 11861501 AWPXHQBGOCSOOF-RMKNXTFCSA-N 333.181 4.126 0 40 EIAB O=C(Nc1ccncc1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 12539066 CPVBEDHSIFVLFX-HXUWFJFHSA-N 342.402 4.028 0 40 EIAB CC(C)c1ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc1 12857940 OAGRKNLUENKUHQ-UHFFFAOYSA-N 341.455 4.242 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 15519721 NPZMWPXCUQNCKY-HUUCEWRRSA-N 329.465 4.096 0 40 EIAB COc1ccc(CN(C)Cn2c(=S)oc3ccccc32)cc1OC 16353138 RPCOXPBYUXMRRV-UHFFFAOYSA-N 344.436 4.070 0 40 EIAB COc1cc(-c2cc(=O)c3cc(Cl)cc(Cl)c3o2)ccc1O 20272609 QWAZSNUFPUOAQZ-UHFFFAOYSA-N 337.158 4.481 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 20450962 DFIGXKLHYYXWTP-CXAGYDPISA-N 329.827 4.475 0 40 EIAB COc1ccc(NC(=O)c2cccnc2Nc2cccc(OC)c2)cc1 22072055 XRGLPOCWKDJENI-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1Cl 25396760 LWXIXNVGLIGSDI-JTQLQIEISA-N 348.233 4.081 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccc(F)cc1 28496878 BMRXCZJJUXVRSV-KPKJPENVSA-N 343.361 4.090 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)nc1 30009475 WTGQQUJPJDAJHU-ZIAGYGMSSA-N 327.428 4.043 0 40 EIAB CCc1cccc2c(-c3csc(CCN4CCCC4=O)n3)c[nH]c12 30447773 UDJVVQKSOJJKPV-UHFFFAOYSA-N 339.464 4.019 0 40 EIAB COc1ccc(CCC(=O)N(Cc2cccc3[nH]ccc23)C2CC2)cc1 32089659 AKMVHKJEDINBQF-UHFFFAOYSA-N 348.446 4.300 0 40 EIAB O=[S@@](CCOc1cccc(Cl)c1)Cc1cccc2cccnc12 32801183 VSBUOAFWCVUZHB-HSZRJFAPSA-N 345.851 4.216 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCc4ccccc43)c12 36613718 DZOVLIZGWYQAIM-KRWDZBQOSA-N 347.418 4.216 0 40 EIAB COc1cc(CN[C@@H](C)c2ccc(Cl)s2)cc(OC)c1OC 46837477 IELUDRUIIFMJST-JTQLQIEISA-N 341.860 4.278 0 40 EIAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 47710987 DKZWYQDRAJRJGP-UHFFFAOYSA-N 347.802 4.182 0 40 EIAB O=C(NC1CCN(c2ccc(F)cc2)CC1)c1sccc1C1CC1 65591237 HCJSBXIMUWSHCX-UHFFFAOYSA-N 344.455 4.163 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)/C=C/c2cscn2)c1 69348615 BWJMNHMKOIORBN-CMDGGOBGSA-N 349.459 4.089 0 40 EIAB O=C(c1ccccc1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 71805038 UZURYFZMIRKQEQ-LEWJYISDSA-N 335.447 4.061 0 40 EIAB COc1ccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1C 84093645 ANJQZRRVWWPLTB-FQEVSTJZSA-N 338.451 4.169 0 40 EIAB O=C(Nc1cnn(Cc2ccccc2)c1)NC1CCCCCCC1 84544708 FIXHOFGJMPUDHH-UHFFFAOYSA-N 326.444 4.166 0 40 EIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2Cl)cc1 95117437 RTBCNNBUXJSWPJ-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB COC(=O)Nc1cccc(NCc2nc3ccccc3n2C(C)C)c1 95428567 AUYWJSRHDOFZJZ-UHFFFAOYSA-N 338.411 4.408 0 40 EIAB CCOc1cccc2cc([C@@H](C)NCC3([C@H](O)C(C)C)CC3)oc12 95463505 VXEZLIGFOPPMRK-AUUYWEPGSA-N 331.456 4.279 0 40 EIAB C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1ccc(F)cc1Cl 95963509 KTGXYVUOCKSJMA-KPZWWZAWSA-N 336.790 4.077 0 40 EIAB CCc1nnc([C@@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)o1 96014090 IHYNLKUXOTZSAR-VXGBXAGGSA-N 329.400 4.107 0 40 EIAB Cc1cc(C)n2c(CNc3cccc(Oc4ccccn4)c3)cnc2n1 97051014 BJDYNZGNSHDEPA-UHFFFAOYSA-N 345.406 4.146 0 40 EIAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 170569282 XBZHWOYUIYZEIZ-INIZCTEOSA-N 346.434 4.328 0 40 EIAB Cc1cc(C)c(NC(=O)CCc2nc(-c3cccs3)no2)c(C)c1 198448391 SUGAXXKHOWAOON-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 216890904 DSMRRZMLYJSSMS-CMDGGOBGSA-N 332.783 4.114 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccc(Cl)cc1 219573163 HAAFLSFSHLXYID-QGZVFWFLSA-N 349.833 4.386 0 40 EIAB COc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225575663 HSZMVYYITYWCLZ-MRXNPFEDSA-N 342.464 4.284 0 40 EIAB COc1cc(CNC(=O)c2cc(C)c(C)cc2C)ccc1OC(C)C 225648811 LKAOEARJTGRRHM-UHFFFAOYSA-N 341.451 4.338 0 40 EIAB COc1ccccc1NC(=O)NCCCc1cccc(OC(C)C)c1 225768846 JQDCXQXEZNVMJT-UHFFFAOYSA-N 342.439 4.237 0 40 EIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ncccc12 225905106 VXINICGOAWZDIY-FQEVSTJZSA-N 344.455 4.413 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2N)c(Cl)c1 226347186 PXQFIIIPZRWVEP-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)cc(Cl)c1O 409113807 OBBWPDPLYVPNOE-ZROIWOOFSA-N 343.810 4.351 0 40 EIAB COc1cccc2cc([C@@H](C)NCC3([C@H](C)CCO)CCC3)oc12 539509311 IKHDUYSMOQTGGB-HUUCEWRRSA-N 331.456 4.281 0 40 EIAB C[C@H]1CC[C@H](Cc2nc(-c3ccc(OC4CCOCC4)cc3)no2)C1 545792588 RSHNHNVNYDCAPZ-GJZGRUSLSA-N 342.439 4.273 0 40 EIAB CC1=Nc2ccccc2C12CCN(Cc1ncc(Cl)s1)CC2 583651990 XRPWAIISWDDZIM-UHFFFAOYSA-N 331.872 4.436 0 40 EIAB COc1cc(NC(=O)c2cc(C)c(C(=O)O)o2)c(C2CC2)cc1Cl 630204262 KOOZJTOISACKIU-UHFFFAOYSA-N 349.770 4.078 0 40 EIAB COC(=O)c1ncoc1C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 1615615938 UFPXLPZEXVUSNI-GFCCVEGCSA-N 348.830 4.055 0 40 EIAB O=C1c2ccc(Cl)cc2C(=O)N1c1cccc(C(F)(F)F)c1 362486 OUWGIVIMDRATPW-UHFFFAOYSA-N 325.673 4.159 0 40 EIAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cccc(C)n1 381971 ORWUNGVPEFXEBK-HXUWFJFHSA-N 345.402 4.170 0 40 EIAB c1ccc(-c2nnc(OCCN3CCCCC3)c3ccccc23)cc1 532384 CVPQOTLXDNZNLW-UHFFFAOYSA-N 333.435 4.162 0 40 EIAB O=Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc12 573932 NPFZMWVDZOCGPL-UHFFFAOYSA-N 347.201 4.399 0 40 EIAB O=C(NCc1ccc(Cl)cc1Cl)C1=Cc2ccccc2OC1 1391518 KIKONIRDRWBDGO-UHFFFAOYSA-N 334.202 4.086 0 40 EIAB COc1ccc(CN2C(=O)CCSc3ccc(Cl)cc32)cc1 1392661 WGWJVTHLXOPRGB-UHFFFAOYSA-N 333.840 4.378 0 40 EIAB O=C(O)CCCCc1ccc(CCCCC(=O)O)c2ccccc12 1767582 SDWSCQAOXYYSOV-UHFFFAOYSA-N 328.408 4.435 0 40 EIAB C[C@@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1 2026568 BZGLBXYQOMFXAU-GFCCVEGCSA-N 330.255 4.415 0 40 EIAB in-vitro CC(=O)Nc1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1 3300304 YHYZXYDRAKENMT-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(Cl)c1OC 3553971 XYMZHHSLCQGYDK-INIZCTEOSA-N 345.826 4.165 0 40 EIAB COc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4412080 HYZKAKLQEGSNFA-HUUCEWRRSA-N 336.218 4.221 0 40 EIAB COc1ccc(C(=O)[C@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 4485935 UDWNCDGXVGJRDP-LBPRGKRZSA-N 326.421 4.243 0 40 EIAB O=S(=O)(/C=C/CSc1nc2ccccc2s1)c1ccccc1 4550425 QSZGXNRNCININZ-WUXMJOGZSA-N 347.486 4.376 0 40 EIAB C[C@@H]1CC[C@]2(CO)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 4716546 PHKSUFCCGLWIMC-UDDICAGYSA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccco1 4909746 IBESICJGPQWAHS-QGZVFWFLSA-N 341.798 4.278 0 40 EIAB Clc1ccccc1OCc1nn2c(-c3cccs3)nnc2s1 4939227 TYHFQZLWKILIGW-UHFFFAOYSA-N 348.840 4.147 0 40 EIAB Cc1ccc(N2C(=O)S/C(=C/c3nc4ccccc4n3C)C2=O)cc1 5236059 YNNARVHKKAUSDF-LFIBNONCSA-N 349.415 4.123 0 40 EIAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCCCC1 5403670 IDUVZRCUZPNQBF-UHFFFAOYSA-N 334.872 4.455 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1 5444016 RUCUAIVMEQZLDQ-JHMRYYBSSA-N 343.467 4.039 0 40 EIAB O=C(O)/C=C/c1ccccc1OCc1ccc(Br)cc1 6473537 DZRAXUOGPGTDBR-JXMROGBWSA-N 333.181 4.126 0 40 EIAB COc1ccc(NC(=O)[C@H](C)n2cc(C(C)=O)c3ccccc32)cc1 6956494 UWLZPRRLTMYNED-ZDUSSCGKSA-N 336.391 4.052 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1F 7094333 XVSTWENVODZHJE-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB COc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OCC(C)C 8036298 IBMCALSQGWNFSW-UHFFFAOYSA-N 335.350 4.261 0 40 EIAB CC1CCN(C(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 8470147 QCDIPNVVDHAZPH-KPKJPENVSA-N 348.446 4.211 0 40 EIAB CCN1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 8845109 WGJOQJSQFDHTPA-KRWDZBQOSA-N 339.483 4.343 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 9141670 VULPPHRAYQSMNR-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB Cc1cccc(CSCCNC(=O)Cc2ccc(Cl)cc2)c1 10329282 IIDYYRQDVOQJIS-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB COC(=O)c1ccccc1Nc1nc(C(F)(F)F)nc2ccccc12 11906965 UHYHDIKNFKKRLR-UHFFFAOYSA-N 347.296 4.179 0 40 EIAB COc1ccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)cc1 11952416 JPRJNZDLACTVRR-UHFFFAOYSA-N 341.388 4.238 0 40 EIAB COc1nc2cc(C)ccc2cc1CN(C)[C@H](C)Cc1ccccn1 12148175 WPQULQIPSZNRHL-MRXNPFEDSA-N 335.451 4.010 0 40 EIAB Cc1ccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)cc1C 12168449 WYEIUXKRFJPMJR-UHFFFAOYSA-N 348.402 4.235 0 40 EIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3C)c2C1 12568811 UCYRIZWNIBNWGW-UHFFFAOYSA-N 345.446 4.174 0 40 EIAB Cc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 18038393 FDITWSSWIQMEGD-INIZCTEOSA-N 343.452 4.024 0 40 EIAB Clc1ccc([C@H](Nc2ccccn2)n2nnc3ccccc32)cc1 19143720 VAXJQBCXJCDLAO-GOSISDBHSA-N 335.798 4.139 0 40 EIAB Cc1ccc2cc(C(=O)Nc3ccc(N4CCCC4)nc3)c(C)nc2c1 31633774 IXMSIMUQAFERIZ-UHFFFAOYSA-N 346.434 4.099 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 32603670 LJLZQLHCPYFWFP-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB COc1ccc(OC)c(NC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 32609945 FBABSJJPZXFTTJ-AWEZNQCLSA-N 328.412 4.203 0 40 EIAB COc1ccc(CCC(=O)N(Cc2ccco2)c2ccccc2)cc1 32837022 JHWHQZNKFRDTKQ-UHFFFAOYSA-N 335.403 4.454 0 40 EIAB Cc1cccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1C 32915716 LMDYXTHNCUWTPJ-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB CSCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 32999893 SCIKEYAXOUXLRC-UHFFFAOYSA-N 330.453 4.385 0 40 EIAB O=C(CCCCCOC(=O)c1ccccc1)OCc1ccccc1 34498645 ZGTJZBPSILKDAB-UHFFFAOYSA-N 326.392 4.147 0 40 EIAB COc1ccccc1C(=O)Nc1nc(C)c(Cc2ccccc2)s1 36639546 JNYLLYJRSPPPOP-UHFFFAOYSA-N 338.432 4.303 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 44902689 SOPBREZOCRFJHE-IBGZPJMESA-N 341.451 4.176 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)on1 47287629 KFOWZXKCOQGPLG-CQSZACIVSA-N 330.453 4.291 0 40 EIAB COC(=O)N(C)c1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 56449499 DEGGYMYEVUKVGD-JKSUJKDBSA-N 330.428 4.066 0 40 EIAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-c2ccccc2F)s1 58086741 IPWNRONASUYGMK-ZDUSSCGKSA-N 333.428 4.053 0 40 EIAB Cc1cccc(CCNC(=O)c2cnc(-c3ccccc3F)s2)c1 60323233 VCCGIPYACPHIGW-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCCO)o3)cc2C1 60657063 GEAFIAYZNKNWPR-NSHDSACASA-N 338.498 4.034 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1 67197902 GCEUSUXSTMECCC-MRXNPFEDSA-N 339.435 4.153 0 40 EIAB Cc1cccc(OC(F)F)c1NC(=O)c1cc(C)n(C(C)(C)C)n1 69615704 XZRZCXKDPONLMR-UHFFFAOYSA-N 337.370 4.109 0 40 EIAB Cc1nnc(COc2ccc(NC(=O)CCC3CCCCC3)cc2)o1 69780346 NZJICWRGQPXRGV-UHFFFAOYSA-N 343.427 4.256 0 40 EIAB C[C@@H](O)C1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 71910306 NGEHUENTJKJMTE-CYBMUJFWSA-N 338.407 4.211 0 40 EIAB O=C(Nc1ccc(-c2cncnc2)cc1)c1nc(Cl)ccc1Cl 71910446 RGDKGNVPGIGDHI-UHFFFAOYSA-N 345.189 4.098 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccncc1 72295359 CRBFRUASNBNMDY-LJQANCHMSA-N 333.391 4.150 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1cn[nH]c1-c1cccc(Cl)c1 72328887 UDZFLRPBHJFNHB-KRWDZBQOSA-N 337.810 4.147 0 40 EIAB Cc1ccc(Nc2nccc([C@H]3CCCN(C4CCCC4)C3)n2)nc1 72377353 OLPDDUAPMJNFPX-INIZCTEOSA-N 337.471 4.046 0 40 EIAB O=C(c1ccsc1)N(CCc1cccs1)Cc1cccnc1 75154736 NZSASVBQKNVXHQ-UHFFFAOYSA-N 328.462 4.090 0 40 EIAB O=C(c1nc2ccccc2s1)N1CCC(c2ccsc2)CC1 75157121 PUIGHUUXGVPMIY-UHFFFAOYSA-N 328.462 4.378 0 40 EIAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccncc1)c1ccc(F)cc1Cl 77669982 KVTZTYGQNJSRSS-VXGBXAGGSA-N 335.810 4.338 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(OCc3cccc(F)c3)c(F)c2)o1 79030594 QDEJPWUCKWKSFK-NSHDSACASA-N 345.349 4.408 0 40 EIAB CCn1c([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)nc2ccccc21 79336570 ALCVBCDCPZJHOE-HDMKZQKVSA-N 349.434 4.116 0 40 EIAB c1ccc(CCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193869 PPJMKUXFXZBJBP-UHFFFAOYSA-N 346.415 4.384 0 40 EIAB Cc1ncsc1CCN[C@H](C)c1ccccc1Br 97032978 UPYRDHOPKFVKSS-SNVBAGLBSA-N 325.275 4.107 0 40 EIAB Cc1csc([C@H](C)CNC(=O)Nc2ccc3[nH]c(C)cc3c2)n1 97113243 DCRCDJMFOWHQLR-SNVBAGLBSA-N 328.441 4.166 0 40 EIAB c1ccc(OCc2cscn2)c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 97377006 IGWZEKRACFEXMG-QGTPRVQTSA-N 342.464 4.092 0 40 EIAB Cc1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 222940975 WHTPCBGLZKAAPH-GFCCVEGCSA-N 330.225 4.349 0 40 EIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222947927 KKZWJHUCOMWAEG-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)c1 224222836 RISRFELEGQLTMR-ZWKOTPCHSA-N 335.432 4.160 0 40 EIAB CCCc1ccc(OCCNC(=O)c2ccc(C)cc2Cl)cc1 225004839 RVBMPUWBSLPWHT-UHFFFAOYSA-N 331.843 4.410 0 40 EIAB CCCCC[C@](C)(OC)C(=O)Nc1cnc(OCCCC)c(C)c1 225887095 IQALACZCQVAMOY-IBGZPJMESA-N 336.476 4.493 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc(-c2ccco2)on1 253471373 BXWAAPYDJREDCY-GFCCVEGCSA-N 336.347 4.042 0 40 EIAB S=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 260658735 ALDWHKDOQNOJGR-SUNYJGFJSA-N 330.497 4.483 0 40 EIAB CN(C)c1cccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)c1 390831016 PCNFEQHOUCVGSU-KRWDZBQOSA-N 334.529 4.279 0 40 EIAB CCCCOc1ccc(-c2nnc([C@H]3CCCCO3)o2)cc1OC 521393898 NETPHCUVIYSNFV-OAHLLOKOSA-N 332.400 4.166 0 40 EIAB C[C@H]1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)[C@@H]1CO 561689492 QAVZJPFEWMMZFK-BJOHPYRUSA-N 326.774 4.033 0 40 EIAB c1cnc2nc(C3CCN(c4nc5cnccc5s4)CC3)ccc2c1 1888924336 MKEVIDHQKCCEJH-UHFFFAOYSA-N 347.447 4.019 0 40 EIAB CC[C@@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 110827 FKTMCTAFNMWWPV-MRVPVSSYSA-N 327.211 4.485 0 40 EIAB CSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 345001 XEQUSMSJTVQARW-LPQFERQCSA-N 348.431 4.104 0 40 EIAB COc1ccc(CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 387108 PCQSLOVTAZWUIC-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB COc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 531603 YTQPVPOLZNOGKH-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB CCOc1cccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)c1 533532 BESAIHPYOBNRPG-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)oc2c1 557806 FBBKEZSPYDMLBN-UHFFFAOYSA-N 343.770 4.000 0 40 EIAB Clc1cc2c(c(CSc3nc4ccccc4[nH]3)c1)OCOC2 802582 JFZADMMBIZNUPS-UHFFFAOYSA-N 332.812 4.375 0 40 EIAB Nc1nc(Nc2cccc(F)c2)sc1C(=O)c1ccc(Cl)cc1 1427374 YJUGPWSWCZCWJT-UHFFFAOYSA-N 347.802 4.492 0 40 EIAB Cc1ccc(C2(c3ccc(C)c(O)c3C)CCN(C)CC2)c(C)c1O 1706798 IEBVPYMUUCMJCE-UHFFFAOYSA-N 339.479 4.343 0 40 EIAB in-vitro CCOC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1 2073540 QAGQCBQCALUQFJ-UHFFFAOYSA-N 345.826 4.478 0 40 EIAB O=C(C[C@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 3160214 CLDJHQMKVKSHRC-VIFPVBQESA-N 336.429 4.297 0 40 EIAB CCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(C)cc1C 3290365 TUQXBBQSVCEYKD-UHFFFAOYSA-N 326.421 4.394 0 40 EIAB C[C@@H]1c2ccccc2C(C)(C)C[C@@H]2c3cccc(C(=O)O)c3C(=O)N12 4029027 NQBARXGSXIAIJK-SJKOYZFVSA-N 335.403 4.324 0 40 EIAB biogenic Cc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2)s1 4070354 CZQBSCPMADPVSM-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C 4692056 LZCICCXBBYHFCF-LQYKEEECSA-N 346.511 4.164 0 40 EIAB Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)oc2ccccc12 5256233 WCCUHMXUSIZWCE-UHFFFAOYSA-N 331.375 4.238 0 40 EIAB COc1cc(OC)cc(-c2nnc(SCc3ccccc3C)o2)c1 5435485 ZGPSWNJHKKWMMC-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB Cc1ccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 5814521 ZQXQPRKXSZLPCE-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N(C)c1ccccc1 6506342 YYICZWUQUAQBKX-LLVKDONJSA-N 345.855 4.360 0 40 EIAB O=c1c(SCc2ccc(Cl)cc2)nccn1-c1ccccc1 6915152 VVGVFFGFICVHSD-UHFFFAOYSA-N 328.824 4.178 0 40 EIAB Cc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c1 8708538 XWCNRNVOJQVSKX-UHFFFAOYSA-N 326.343 4.140 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccccc1F 8863066 KZSWXIURBRGMOU-GOSISDBHSA-N 346.471 4.234 0 40 EIAB CCN1C(=O)c2cc(NC(=O)C(C)(C)C)ccc2Oc2ccccc21 9134602 KQGKJJYCEJEBJM-UHFFFAOYSA-N 338.407 4.444 0 40 EIAB c1nc(NCc2ccc(CN3CCCCC3)cc2)c2ccsc2n1 9365078 FFZCQCJEDDULOB-UHFFFAOYSA-N 338.480 4.289 0 40 EIAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 12619645 QZTFGGZJQFLZDI-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCC3)cc12 12781564 JBDHKYOKJYNEFW-UHFFFAOYSA-N 345.855 4.285 0 40 EIAB COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1F 12867388 DPHNWKMICCJAGP-QGZVFWFLSA-N 333.790 4.369 0 40 EIAB COc1ccccc1CNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 13720692 RXUDAFJEIVUBKX-HNNXBMFYSA-N 337.419 4.298 0 40 EIAB Brc1cccc(NC2=NN=C(c3ccccc3)CS2)c1 15453065 WVEMYPIRPIXHJZ-UHFFFAOYSA-N 346.253 4.368 0 40 EIAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc2ncccc12 16469763 KUOFYSSPGBRTLO-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB Fc1ccccc1C1(NCc2n[nH]nc2-c2ccccc2)CCCC1 19373952 BMGQWKGDYCOSDP-UHFFFAOYSA-N 336.414 4.170 0 40 EIAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1Cc1ccco1 19926960 FNJHBCGDNBIETI-AWEZNQCLSA-N 328.220 4.361 0 40 EIAB Cc1ccccc1N1CCN(C(=O)c2csc3ccccc23)CC1 20418734 DIEIOJULIFHIJD-UHFFFAOYSA-N 336.460 4.172 0 40 EIAB COc1cccc(CNC(=O)CSc2c(C)c(C)cc(C)c2C)c1 21329652 NNVRYRQZASQIRS-UHFFFAOYSA-N 343.492 4.337 0 40 EIAB CCOC(=O)c1oc2ccccc2c1CN1CCc2sccc2C1 22277652 BRDNUMKJEFQSOO-UHFFFAOYSA-N 341.432 4.229 0 40 EIAB CCCCC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 27710181 YQDHQRBZJMVDBA-UHFFFAOYSA-N 327.424 4.100 0 40 EIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1C 27994025 MVPTZZZADWKBAN-UHFFFAOYSA-N 340.354 4.115 0 40 EIAB Fc1ccc([C@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)cc1 29657575 LVPXVEDFENXEOB-QGZVFWFLSA-N 344.411 4.116 0 40 EIAB CCOc1ncccc1C(=O)Nc1nc(C)c(-c2ccccc2)s1 29921726 LYNARYAFAXAFDK-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 32610516 SOEJPOAAFQVRSP-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccc(F)c1 33982214 XPKVLOSMAOEFKN-INIZCTEOSA-N 339.819 4.005 0 40 EIAB O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ncccc2Cl)C1 40134934 OOPQHNMKXIMVNR-HNNXBMFYSA-N 349.906 4.181 0 40 EIAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)SCC(O)=N2 49545106 KUFCURUBYWKYLB-OAHLLOKOSA-N 342.449 4.061 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 51354346 NFCCPAWECUXJOJ-UHFFFAOYSA-N 348.200 4.052 0 40 EIAB CCSc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 55704451 FLKAHVJQLUTKKL-UHFFFAOYSA-N 341.476 4.486 0 40 EIAB C[C@H](C(=O)Nc1ccc(F)cc1)n1c(-c2cccs2)n[nH]c1=S 58380307 JOUIYWKKRIHRBX-SECBINFHSA-N 348.428 4.008 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2c(C)cnn2CC2CC2)c1 58404806 FZLNHUKZGAHFPV-UHFFFAOYSA-N 335.860 4.229 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351553 DCWDULGUNRPDIG-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB Cc1cccc(-c2noc(Cc3nnc(-c4ccc(C)c(C)c4)o3)n2)c1 65185474 KSTFXTXEGVGUAA-UHFFFAOYSA-N 346.390 4.303 0 40 EIAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1sccc1C1CC1 67143091 NOZLEUWRXDIBAM-UHFFFAOYSA-N 340.448 4.114 0 40 EIAB Cn1c(CNC2(c3ccc(Cl)cc3)CCCCC2)nnc1C1CC1 69590407 PUEBIVLHFAQMSM-UHFFFAOYSA-N 344.890 4.295 0 40 EIAB Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2cccnc2)cc1 72274459 QDKHZMBRZCYDCI-FQEVSTJZSA-N 346.409 4.102 0 40 EIAB CCN(C)C[C@H]1CCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 72303460 WDLOGYMLZLZNOB-OBXNSHGQSA-N 342.527 4.151 0 40 EIAB CC(C)c1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1 75572841 IWVHQYOIIHFWEV-UHFFFAOYSA-N 332.488 4.299 0 40 EIAB Cc1noc(C)c1CNC(=O)Nc1cccc(OC2CCCC2)c1C 78550535 PNBPPJKCOQYAQR-UHFFFAOYSA-N 343.427 4.243 0 40 EIAB Cc1cc(C)cc(C(=O)c2ccccc2CN2CCSCC2)c1 85651668 LUXSFINEUAQKJQ-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB Clc1ccc(-c2nc(-c3ccccc3Br)no2)cn1 89262794 UQOYCTVBSZDUGR-UHFFFAOYSA-N 336.576 4.215 0 40 EIAB C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1nc(-c2ccccc2)cs1 95420778 AWGYECJCXKDAAG-FASAQXTFSA-N 336.460 4.119 0 40 EIAB COc1ccc([C@@H](C)N[C@@H](C)Cc2ccc(C)s2)cc1NC(C)=O 95422780 BJBPOYBBUPDQGU-GXTWGEPZSA-N 346.496 4.305 0 40 EIAB Cc1noc(C)c1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 96447150 CGNYUKQDRDUNSW-GFCCVEGCSA-N 336.395 4.236 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 113956338 ZFHOUMVFYSEWOR-KRWDZBQOSA-N 347.842 4.213 0 40 EIAB C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl 147192412 NKMRDMHAHZINGL-VIFPVBQESA-N 344.267 4.353 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219863353 HCBCDVHPYDHLQA-GOSISDBHSA-N 336.479 4.397 0 40 EIAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1C 223761240 OHZFJPHTJKFWJJ-KRWDZBQOSA-N 347.480 4.050 0 40 EIAB CCN(CC)[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225150353 HRIHGWHVZRDLOZ-KRWDZBQOSA-N 329.465 4.175 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)cc2C)cc1 225639237 QYJJVNNTCIMDBA-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB CO[C@@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccco1 225653802 RFWZVHLSRVQAOY-KRWDZBQOSA-N 327.405 4.126 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 226301647 CVCZAYSILQJSHN-RYUDHWBXSA-N 332.831 4.300 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252506848 WQVMLLJZZDUUPC-KYFSNAEOSA-N 339.564 4.383 0 40 EIAB O=C(NC1(c2cccs2)CCCC1)c1ccc(C(F)(F)F)nc1 390829039 WDYFKFYNELPHKR-UHFFFAOYSA-N 340.370 4.361 0 40 EIAB COc1ccc2cc(C(=O)NC3CCCCCCC3)c(C)nc2c1 408713745 RWJGLWYMCAQUAB-UHFFFAOYSA-N 326.440 4.395 0 40 EIAB COc1ccc(/C=C(/C(=O)Nc2cccnc2)c2ccccc2)cc1 408906909 KISSINVEBDHBBE-XSFVSMFZSA-N 330.387 4.270 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F 575610485 NUPZFXIOQBMUBB-GOSISDBHSA-N 341.407 4.018 0 40 EIAB O=C(O)c1csc(CN2CCCCC[C@H]2/C=C/c2ccccc2)n1 580720469 JTWMBCQIQBYEQJ-OFAQMXQXSA-N 342.464 4.299 0 40 EIAB CC[C@@H](c1ccc(F)cc1)c1nnc([C@@H]2COc3ccccc3C2)o1 1615546494 OQEJXTZFUNZAFJ-RDJZCZTQSA-N 338.382 4.469 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC 149712 BFNGBNMJBRKHFT-CMDGGOBGSA-N 331.799 4.318 0 40 EIAB CCC(CC)C(=O)Oc1c(C(=O)N(C)C)cccc1-c1ccccc1 1602644 SJQYKKXAVLJHJT-UHFFFAOYSA-N 339.435 4.397 0 40 EIAB COc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1 2627598 YQROCFDCPQYVCZ-UHFFFAOYSA-N 338.841 4.261 0 40 EIAB COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 3344810 YOCWSWWDVIITJG-UHFFFAOYSA-N 329.827 4.039 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 3849881 UPBHDNBADOAHCA-SVMVYQPLSA-N 332.484 4.242 0 40 EIAB O=C1C[C@@H](c2cccc(F)c2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 5886383 YRESJNCXKRKYGY-AWEZNQCLSA-N 341.773 4.343 0 40 EIAB CC(C)n1nccc1NC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl 7039736 LVDXJGKVMLUZLH-JTQLQIEISA-N 342.226 4.177 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F 7402224 MRUMJYRVMVCVBG-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB Cc1cc(-c2nnc(CN[C@@H](C)c3ccccc3Cl)o2)c(C)o1 7499797 SJIRYZAGGIHOLN-NSHDSACASA-N 331.803 4.451 0 40 EIAB CN(Cc1ccco1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 8272415 IGJSYAVDRVSLBY-UHFFFAOYSA-N 332.359 4.360 0 40 EIAB CCN(CC)c1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8717364 PAXVZGLWSIPIQN-UHFFFAOYSA-N 341.499 4.471 0 40 EIAB CCCCc1c(C)nc2nc(-c3cccc4ccccc34)nn2c1O 8742972 AMDKUMLNXOBVDU-UHFFFAOYSA-N 332.407 4.301 0 40 EIAB CC(C)Cc1ccc([C@H](NC(=O)NCc2ccccn2)C(C)C)cc1 9795975 PLRHTCNENBXUCP-HXUWFJFHSA-N 339.483 4.477 0 40 EIAB CCn1/c(=N\C(=O)c2cccc(Cl)c2)sc2cccc(OC)c21 12378109 GAPSCLGYUGXOHN-HTXNQAPBSA-N 346.839 4.126 0 40 EIAB Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12604138 RQHXBABKEVNKJI-JXOMPUQVSA-N 331.419 4.248 0 40 EIAB Cc1ccccc1Cn1cnc2cc(-c3ccccc3)sc2c1=O 12796616 HPBVCSQHQWRMPA-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB CC(C)C(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 12817976 DZGDCOBZPWAKKH-UHFFFAOYSA-N 340.467 4.292 0 40 EIAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 12933507 ORDNCZIQCKSMDD-AWEZNQCLSA-N 340.423 4.455 0 40 EIAB CC(C)c1ccccc1NC(=O)C[C@H](C)NCCc1ccc(F)cc1 14232328 PVCHQBZIZOZVJQ-INIZCTEOSA-N 342.458 4.499 0 40 EIAB Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 14242428 CPVSOHKKLCRMMH-UHFFFAOYSA-N 342.395 4.400 0 40 EIAB CCOc1ccc2nc(NC(=O)c3cccc(C)c3OC)sc2c1 14257989 XLUJRNHSPAJQMC-UHFFFAOYSA-N 342.420 4.264 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1 15309297 YXSFDNTYXPBSRK-OAHLLOKOSA-N 342.414 4.222 0 40 EIAB Cc1cc(Nc2cccc(Cl)c2C)n2nc(-c3ccco3)nc2n1 15780335 ZTCSCVRDFRALTL-UHFFFAOYSA-N 339.786 4.398 0 40 EIAB O=C(CSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 15940599 ZYOCFRRKIBXLEZ-UHFFFAOYSA-N 334.444 4.403 0 40 EIAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3)n2)cc1 19373025 ODDINEOAYQNFBG-QGZVFWFLSA-N 331.423 4.097 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C)ccc1OC 20110154 JOWYIRFEYKXJOH-KRWDZBQOSA-N 327.424 4.417 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2)cc1OC 20452236 RVIKYCZVOCVZPG-UHFFFAOYSA-N 337.828 4.088 0 40 EIAB COC(=O)c1ccoc1CSc1nc(-c2ccccc2)cs1 24103654 RHCRGIYOIUKXNP-UHFFFAOYSA-N 331.418 4.482 0 40 EIAB O=C(/C=C/c1ccc(Br)cc1)Nc1nc(C2CC2)cs1 26050514 HLEQARORMOIXIO-FPYGCLRLSA-N 349.253 4.435 0 40 EIAB CC[C@H]1CCCN(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 26781032 DAEXSSOBURHTQY-SFXFZMGTSA-N 349.559 4.092 0 40 EIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 26978393 ORRHVRBJDUOZKN-ORAYPTAESA-N 342.439 4.179 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc2ccc(F)cc2s1 27664147 TZAKCODTQACNJY-AWEZNQCLSA-N 348.374 4.371 0 40 EIAB COc1ccc(N(Cc2ccco2)C(=O)c2cccc(OC)c2)cc1 27795672 FOXHTRULNQQYKB-UHFFFAOYSA-N 337.375 4.144 0 40 EIAB CC(=O)N1C(=S)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C 31829541 WJCFTHCUULIELA-SFHVURJKSA-N 339.460 4.118 0 40 EIAB CC(=O)c1cccc(NC(=O)Cn2ccc3cc(Cl)ccc32)c1 32100946 JZVSFYDSIXVURQ-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1 32752879 HBNPRCIXSMXBIB-AWEZNQCLSA-N 336.391 4.364 0 40 EIAB Cc1ccccc1OCCN(C)C(=O)c1cc2ccc(F)cc2s1 36390230 QOKYJCBCTGNAJJ-UHFFFAOYSA-N 343.423 4.500 0 40 EIAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(C)CC1 36674475 YCVSPNKAKPUCEC-UHFFFAOYSA-N 344.480 4.456 0 40 EIAB Cc1cccc(C)c1OC1CCN(C(=O)NCc2cccs2)CC1 42838076 YXZQUJONDGKHJT-UHFFFAOYSA-N 344.480 4.118 0 40 EIAB O=C(Nc1ccc2cc[nH]c2c1)c1csc(NCc2ccco2)n1 44900864 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Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H]1CC=CCC1 85470995 VQFCRGHUXVCLIC-CYBMUJFWSA-N 330.428 4.230 0 40 EIAB Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c(C)n1-c1cccnc1 89580087 YNTOZLWICJMPAI-LJQANCHMSA-N 345.446 4.119 0 40 EIAB Cc1nc(CCCC(=O)Nc2c(F)cccc2NC2CC2)cs1 89709081 KTDKDKQBWQVANJ-UHFFFAOYSA-N 333.432 4.126 0 40 EIAB O=C(Cc1ccon1)Nc1cc(Cl)ccc1NCc1ccccc1 95418612 UUFSAHNJMSGREG-UHFFFAOYSA-N 341.798 4.121 0 40 EIAB O=C(c1ccco1)N1CCC(N[C@H](c2ccccc2)C2CCC2)CC1 95421817 MRJDQPBPCXTSSJ-HXUWFJFHSA-N 338.451 4.015 0 40 EIAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(-n2cccn2)cc1 96404405 GHFRTVPTTFNEIR-FATZIPQQSA-N 328.412 4.021 0 40 EIAB CN(C(=O)c1cccc(F)c1Cl)c1ccc(-c2ccccc2)nn1 96472896 OXVPRQKZRTYUTP-UHFFFAOYSA-N 341.773 4.213 0 40 EIAB C[C@H](NCc1ccc(C2OCCO2)cc1)c1ccccc1OC(F)F 96477564 HUFAYRMIUOMTFI-ZDUSSCGKSA-N 349.377 4.184 0 40 EIAB O=C(Nc1cccc(OCc2nnc(C3CCC3)o2)c1)c1ccccc1 96480919 ULWOPDDZOJSMFV-UHFFFAOYSA-N 349.390 4.168 0 40 EIAB CCc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@@H]3C2=O)cc1 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225327874 ULXBRPOBOZKFQN-UHFFFAOYSA-N 336.501 4.139 0 40 EIAB Cc1cccc(-c2noc(CCC(=O)Nc3c(C)cccc3C)n2)c1 225813417 UJFYMGFDRXQMCZ-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c2cccnc12 225882760 UYEPOGSDSLUXGX-LJQANCHMSA-N 330.428 4.167 0 40 EIAB CCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225900739 PZJUPKKNCQIMMD-IFXJQAMLSA-N 334.460 4.103 0 40 EIAB Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)c(O)c1 408993193 VQSVHHCTGMMYJT-UHFFFAOYSA-N 342.420 4.134 0 40 EIAB COc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 217186 MXUIMIRXMOAKOB-UHFFFAOYSA-N 332.403 4.146 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCc3ccccc3F)nnc12 929327 WBAULZQHPJPEKM-XIKOKIGWSA-N 329.444 4.478 0 40 EIAB COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCCC2 1965161 WOGDHVRGUAWSNU-UHFFFAOYSA-N 343.448 4.283 0 40 EIAB CC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 2623629 CFXDIPARHZNWFM-UHFFFAOYSA-N 341.411 4.063 0 40 EIAB Cc1c(-c2cccc(NC(=O)C3CCCCC3)c2)nc2ncccn12 4033180 KYABBTGNFKPSOX-UHFFFAOYSA-N 334.423 4.224 0 40 EIAB Cc1ccc(SCC(=O)Nc2nc3c(F)cccc3s2)cc1 4496500 NGZQJRXXOMSEAX-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 4834949 ASVBTHOQXWKOFQ-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB c1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 4997050 PLNGVJPJZAVFCC-UHFFFAOYSA-N 337.404 4.389 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)Nc1cccc2ccccc12 6186235 FMSFADTVZLEIBG-UHFFFAOYSA-N 349.390 4.451 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CSCc1ccc(F)cc1 6313790 HYEVWYFWDHWPCA-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB CCCN1C(=O)S/C(=C\c2cn(CCC)c3ccccc23)C1=O 6325155 VYBDGLCIDBLVQK-WJDWOHSUSA-N 328.437 4.498 0 40 EIAB COc1cccc(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 6333058 BUACPZUHKOYMRL-UHFFFAOYSA-N 341.741 4.131 0 40 EIAB CCOc1ncccc1C(=O)Nc1cc(C(C)(C)C)ccc1OC 7000754 IWBDPGFJIPRTIJ-UHFFFAOYSA-N 328.412 4.039 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(Br)cc3F)cc2n1 8798688 QRJBPWHCOHXZIZ-UHFFFAOYSA-N 349.159 4.290 0 40 EIAB Cc1cc2nc(C)n(CC(=O)N(CC(C)C)CC(C)C)c2cc1C 9250286 ZQDHEJDRKDKICT-UHFFFAOYSA-N 329.488 4.102 0 40 EIAB Cc1cccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1C 10903479 SOQCIFRKBODEMS-UHFFFAOYSA-N 347.462 4.095 0 40 EIAB C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1 11903086 QYAHCTYPAYSEEB-AWEZNQCLSA-N 335.432 4.263 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 12752378 CXJMDTRXORMHBP-ZDUSSCGKSA-N 330.453 4.020 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(F)cc3)c12 12755584 GDVMLJWLMFLGLP-SNVBAGLBSA-N 339.370 4.039 0 40 EIAB CCC(C)(C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 16384500 VVOQRNOZFLLFEU-KRWDZBQOSA-N 348.537 4.062 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c(C)c1 18155805 JFWAHTOTLIRFHK-OTWHNJEPSA-N 333.431 4.377 0 40 EIAB Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4)CC3)o2)s1 19217857 JQTFKWWMVKNZAT-UHFFFAOYSA-N 339.464 4.486 0 40 EIAB Cc1cccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 24924439 ROUUPTONRRNQJN-UHFFFAOYSA-N 345.761 4.398 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC)cc1 30855280 XTLZJCUSJQPDTQ-FQEVSTJZSA-N 349.430 4.322 0 40 EIAB CN(CCCc1nc(-c2cccs2)no1)Cc1ccc(F)c(F)c1 32760739 AVTASEVBKHGQAD-UHFFFAOYSA-N 349.406 4.141 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 33653262 XOOSECQHUWTSOR-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1ccccc1F 36621053 WDHPOLIMFDSLQZ-INIZCTEOSA-N 339.819 4.005 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 44839091 CADRPNZLGQNFFK-UHFFFAOYSA-N 333.435 4.100 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 44886208 ANLIDOVDIWNFRT-KUHUBIRLSA-N 345.414 4.259 0 40 EIAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 54661496 GJTMUUXWSISGEJ-IBGZPJMESA-N 347.418 4.065 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129684 VGROWMXEGGBPOT-UHFFFAOYSA-N 342.801 4.088 0 40 EIAB COc1cc(C)cc2c1OCC[C@@H]2NC(=O)Nc1ccc(Cl)cc1 58281775 OWPWJMQGEFTPKJ-HNNXBMFYSA-N 346.814 4.302 0 40 EIAB OCc1ccc(OCc2ccccc2Cl)c(Br)c1 62703367 ITROHYREUVULOB-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB CN(CCCc1ccccc1)C(=O)c1c2c(nc3ccccc13)CCC2 65477342 LEKSFMYESBORSY-UHFFFAOYSA-N 344.458 4.428 0 40 EIAB CCN(Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)cc1)C(C)C 69417520 MLVQOYOITXWHIX-KRWDZBQOSA-N 339.483 4.145 0 40 EIAB Cc1cccc(OC(F)F)c1NC(=O)CCc1c(C)noc1Cl 69419187 LYXDSCMGAVRRAH-UHFFFAOYSA-N 344.745 4.118 0 40 EIAB Cc1noc(C)c1CNc1c(N2CCCC2)cccc1N1CCCC1 69744614 SWWPLYRMROXTBX-UHFFFAOYSA-N 340.471 4.104 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)ccc1O 71750310 QPGQPBQQGQGQRJ-GOSISDBHSA-N 337.463 4.494 0 40 EIAB CN(C(=O)CCc1nc(-c2ccco2)no1)c1ccc2ccccc2c1 71796183 UTAMMZANJKOCSI-UHFFFAOYSA-N 347.374 4.078 0 40 EIAB CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C)C1 72305256 CLZCHNXWRMROKB-GJZGRUSLSA-N 340.920 4.193 0 40 EIAB Cc1cc(C(=O)NCc2cccc(CO)c2)c(C)n1C1CCCCC1 78757639 WFUWYONEHTWEKR-UHFFFAOYSA-N 340.467 4.032 0 40 EIAB CCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c(C)c1 79146930 CZGLLOUKAVIXKQ-UHFFFAOYSA-N 335.407 4.140 0 40 EIAB COCc1nc(CN[C@@H](c2ccccc2F)C2CCCC2)cs1 88765603 BBDPJLMDPZRAMU-GOSISDBHSA-N 334.460 4.450 0 40 EIAB O=C([C@H](N[C@@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 89825757 AMMVVOCZZCQNTQ-NHCUHLMSSA-N 334.463 4.017 0 40 EIAB CCCC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccc(C)o2)c1 89949378 IECFJQFWVWQKGE-UHFFFAOYSA-N 338.411 4.329 0 40 EIAB C[C@@H](N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 95958773 JVVWCCXGHIASHJ-OXQOHEQNSA-N 332.451 4.055 0 40 EIAB CCc1cnc([C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 95968988 JFAQBXBPEXRCND-STQMWFEESA-N 345.468 4.074 0 40 EIAB NC(=O)c1ccc(COc2ccc(Cl)cc2C(F)(F)F)cc1 95992750 NXWKLJHYSMVEDN-UHFFFAOYSA-N 329.705 4.037 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(-n2cc[nH]c2=S)c1 109027406 ANJBLUNBUMNONK-IHRRRGAJSA-N 327.453 4.300 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1ccc(OC(C)C)cc1 218984135 ZRQSWKLICPEICY-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)cc1C 223613555 RRPMYINUABLFTE-UHFFFAOYSA-N 333.431 4.194 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 224124014 FXKCXKFJDDMHLJ-UHFFFAOYSA-N 342.870 4.303 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Oc1cc(C)cc(C)c1)C(=O)O 225120442 MKOZFQPJWVXKPD-QGZVFWFLSA-N 334.799 4.040 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(C)cc1 225624542 HIAIWPBAQXEHNY-NRFANRHFSA-N 337.463 4.348 0 40 EIAB Cc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1Br 226273169 QQKXTMOZFASNQL-LLVKDONJSA-N 334.213 4.063 0 40 EIAB S=C1CO[C@@H](c2ccc(Br)cc2)N1c1ccccc1 32109 NVQZAJRGCJUBGY-HNNXBMFYSA-N 334.238 4.312 0 40 EIAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 172751 NWKAAWRLKQJWIP-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB CC[C@@H](C)NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 251363 SSOHIGUJYPUQSI-SNVBAGLBSA-N 331.416 4.039 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCC[C@@H](C)C1 410750 HCNDCAUYRWKGLM-OAHLLOKOSA-N 342.508 4.456 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)o1 1090486 GAPQSRHTOCYNHZ-SXGWCWSVSA-N 342.420 4.311 0 40 EIAB CC(C)N1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 1370270 YRKFSSLTFSMBQS-IAGOWNOFSA-N 335.879 4.255 0 40 EIAB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 1621905 CIAOQAUAMGXMOH-UXHICEINSA-N 327.383 4.127 0 40 EIAB S=C(Cc1cc(-c2ccccc2)nc2ccccc12)N1CCOCC1 1873671 VKXZKCYVYFWINA-UHFFFAOYSA-N 348.471 4.104 0 40 EIAB CCN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1 2739371 NYIGRORBVKWDLL-UHFFFAOYSA-N 332.241 4.040 0 40 EIAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 2746511 QJNJXXQOYUYPMO-NRFANRHFSA-N 344.414 4.462 0 40 EIAB O=c1cc(CNc2ccc(F)cc2F)c2cc3c(cc2o1)CCC3 3371541 XQJGEPWRUSNQOH-UHFFFAOYSA-N 327.330 4.172 0 40 EIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(C)s1 4174595 MXGCDYOMGMEECE-LLVKDONJSA-N 327.862 4.009 0 40 EIAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc21 4264972 RBUBMNHFJJGQQD-UHFFFAOYSA-N 339.464 4.423 0 40 EIAB CCCCOc1cc(Br)c(CNCC(C)C)cc1OC 4670851 MPHZXGJRPMEDJB-UHFFFAOYSA-N 344.293 4.382 0 40 EIAB CC(C)c1ccc(C2=NNC(=O)[C@@H](c3c[nH]c4ccccc34)C2)cc1 5189675 JCFRSLMYECGBRY-QGZVFWFLSA-N 331.419 4.299 0 40 EIAB CC(C)c1cc(O)c2c(c1O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 5733675 MCMQSPNBTJWIEO-PJSUUKDQSA-N 330.424 4.287 0 40 EIAB CCCCC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 6652839 KOUVZMCZDKHCJX-UHFFFAOYSA-N 344.499 4.458 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(Cl)c1 7402147 LHTYDCOEUMHDQD-UHFFFAOYSA-N 333.863 4.381 0 40 EIAB CCOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1 7899545 UQAAHSBQZJUXRN-UHFFFAOYSA-N 335.403 4.047 0 40 EIAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1CCC1 8009869 DGMDHWZWYPWBQB-UHFFFAOYSA-N 345.446 4.298 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCSc2ccccc2)cc1 8361309 JCSKHKMVBGKRQB-HNNXBMFYSA-N 331.506 4.384 0 40 EIAB Cc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11114281 YENPXCPFORYQSZ-HXUWFJFHSA-N 336.460 4.374 0 40 EIAB CCN1C=C(c2csc(C)n2)[C@@H](c2ccc(Cl)cc2)NC1=O 12321263 MTCWXQUHJZWVQT-OAHLLOKOSA-N 333.844 4.232 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 12769176 ASUALTOORFMYAL-RYUDHWBXSA-N 335.753 4.200 0 40 EIAB Clc1ccc(C2=NN=C(NCc3ccco3)SC2)c(Cl)c1 12814568 DCNWBERHBDDGBU-UHFFFAOYSA-N 340.235 4.183 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)CCc1c[nH]c2ccccc12 12933754 OBTLRTGNPAWHQD-UHFFFAOYSA-N 349.459 4.369 0 40 EIAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccc(F)cc3)c2cc1C 13125639 LCLLITCGEILUFR-UHFFFAOYSA-N 347.393 4.196 0 40 EIAB CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 14819293 CGKWSLSAYABZTL-GOSISDBHSA-N 340.375 4.019 0 40 EIAB endogenous,in-man CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4s3)cnc21 17574026 DCDKJHKUCTYPJS-UHFFFAOYSA-N 336.420 4.479 0 40 EIAB COc1cccc2cc(CN3CCC(N4CCC[C@@H](C)C4)CC3)oc12 19496482 CNXAZZWCLQSJSK-MRXNPFEDSA-N 342.483 4.138 0 40 EIAB Cc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 19840756 CRRWRRGTRDGUFJ-UHFFFAOYSA-N 346.474 4.495 0 40 EIAB CCCn1c(NC(=O)c2c(C)noc2C(C)C)nc2ccccc21 21126869 ZTVQZMAINXCWHV-UHFFFAOYSA-N 326.400 4.118 0 40 EIAB FC(F)(F)c1cccc(-c2nc3nc(Cl)c(Cl)nc3[nH]2)c1 22912013 BRODSJBKQDYMJU-UHFFFAOYSA-N 333.100 4.346 0 40 EIAB in-vitro O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(Br)c1 25067100 GRGPLUBBNFCJEN-UHFFFAOYSA-N 348.225 4.153 0 40 EIAB COC(=O)c1cccc(COC(=O)c2occc2-c2ccccc2)c1 31680252 ADDDEBFOMNIFGJ-UHFFFAOYSA-N 336.343 4.090 0 40 EIAB CCCc1cc(C(=O)Nc2ccc(NC(=O)NC)cc2)sc1C 32903302 MGHZCMWVOOIJSO-UHFFFAOYSA-N 331.441 4.013 0 40 EIAB Cc1nc2ccccc2nc1COC(=O)c1ccccc1C(F)(F)F 32942964 WEPNWERPAWZIIU-UHFFFAOYSA-N 346.308 4.314 0 40 EIAB C/C=C/c1ccc(OCCCCn2nnc3ccccc32)c(OC)c1 35143501 NTYNZQRZENLOMJ-FPYGCLRLSA-N 337.423 4.332 0 40 EIAB COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 35476540 IWBDVFYFWQCZLU-AWEZNQCLSA-N 348.399 4.043 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 40103244 IOANEIPZLFEMKF-NXEZZACHSA-N 332.778 4.451 0 40 EIAB O=C1CCCN1c1ccccc1NC(=O)N(Cc1ccccc1)C1CC1 40104197 KDVZWJNZYXKLMW-UHFFFAOYSA-N 349.434 4.010 0 40 EIAB CCOc1ccc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc2c1 41091997 QLBRMHOVAXIVSZ-AUUYWEPGSA-N 347.480 4.096 0 40 EIAB CC[C@H](C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 57142916 WGBOXHUGMHGKEO-AWEZNQCLSA-N 335.403 4.410 0 40 EIAB biogenic CC(C)[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 57452438 XBPBNVRLQHBGRH-VQTJNVASSA-N 340.442 4.132 0 40 EIAB CCCCCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C(C)C 58060266 WBYBOKVWHOZCRK-KRWDZBQOSA-N 335.492 4.027 0 40 EIAB Cc1cccc2c1C(=O)N[C@H](c1cc3cccc(C)c3nc1Cl)N2 58128903 GZRUPPXNEQNBMZ-GOSISDBHSA-N 337.810 4.359 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)N1CCc2ccccc2C1 58851717 PKTJSGZKRUXHQE-UHFFFAOYSA-N 335.451 4.267 0 40 EIAB CCOc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1OCC 59224607 NZZNIEYRUCNVJE-UHFFFAOYSA-N 348.830 4.459 0 40 EIAB CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)C1CC1 60372685 PNVKXKWLOOPNKB-UHFFFAOYSA-N 349.356 4.003 0 40 EIAB O=C(Nc1ccc2ncccc2c1)c1ccc(OC[C@H]2CCCO2)cc1 60788348 SNIYTNUQEAIGCI-LJQANCHMSA-N 348.402 4.045 0 40 EIAB Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1sccc1C1CC1 70804530 XBZJVGJQDZFUNG-UHFFFAOYSA-N 342.464 4.324 0 40 EIAB CC[C@H](N[C@@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 71910802 VVFFZJJRJPOFBX-UONOGXRCSA-N 338.860 4.060 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 72329200 XSWHUWSRNYIHFW-CQSZACIVSA-N 349.434 4.139 0 40 EIAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(CC(C)C)C3)nc2)n1 72353254 JBKGVHFPTWIZPZ-QGZVFWFLSA-N 339.487 4.067 0 40 EIAB CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccccc2)n1 72379084 WCRMGQMGHXLGKM-LJQANCHMSA-N 332.451 4.167 0 40 EIAB CCc1noc([C@@H](C)SCc2cc(Cl)cc3c2OCOC3)n1 76322675 CGWFBLNTEGIZCW-SECBINFHSA-N 340.832 4.146 0 40 EIAB Cc1nc(CC(=O)Nc2cc(F)ccc2SCC(F)F)cs1 78189272 CBXJPNYITNAUDD-UHFFFAOYSA-N 346.399 4.129 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C 84671156 IAHRTAWQLDSBGB-BXUZGUMPSA-N 346.496 4.475 0 40 EIAB COc1ccc(F)cc1NC(=O)c1cc(C)ccc1Br 93789812 ISSJQKJQKTZGPT-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB COc1cccc2cc([C@H](C)N[C@@H]3CCO[C@]4(CCSC4)C3)oc12 95988096 AYNGBCPHNOORSQ-ZBQZNYHESA-N 347.480 4.147 0 40 EIAB CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccccc3Cl)cc2)C1 96122339 CLPORECJGABKSF-OAHLLOKOSA-N 345.830 4.209 0 40 EIAB C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccncc1 96403767 AHUOPBWZFZNZQO-SECBINFHSA-N 327.281 4.122 0 40 EIAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2ccccc2c1 102179299 MURSHOVUOUQSHH-WBAXXEDZSA-N 337.419 4.148 0 40 EIAB Cc1cc(F)ccc1C(=O)Nc1ccc(Br)cc1F 103248340 FERLFLYOOVAWQJ-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB CCOC(=O)c1c(-c2c(Cl)cncc2Cl)noc1C1CC1 117751432 PUYSIVFTVLBVQM-UHFFFAOYSA-N 327.167 4.098 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118929311 NTIDOCUQWIFRTK-PFIRBALFSA-N 334.500 4.179 0 40 EIAB c1ccc(-c2cnc(Nc3cc(C[C@@H]4CCNC4)ccn3)s2)cc1 143325771 XBONBWPSZFGBJS-HNNXBMFYSA-N 336.464 4.101 0 40 EIAB CCCCCCc1ccsc1[Sn](C)(C)C 196445568 VICPXQBDZGOMDF-UHFFFAOYSA-N 331.113 4.416 0 40 EIAB CCOC(=O)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 216937017 ORYUEYNZSGLTIH-UHFFFAOYSA-N 328.751 4.290 0 40 EIAB Cc1ccc(CCCNC(=O)COc2cccc3ccccc23)cc1 218912259 IRVPTBAHVMPTJJ-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccccc2)c1 218964609 LFZQXSONZVYDLY-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COCc2ccccc2)c1 224355987 LAZYRYINJJDDLW-INIZCTEOSA-N 341.451 4.330 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1 224410193 URLQGAIXGDMFKB-KRWDZBQOSA-N 337.463 4.082 0 40 EIAB CC[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(OC)cc1 225488872 MCNBXSSJHQSVAH-HNNXBMFYSA-N 336.407 4.411 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1 225569577 JPIMKXVXYJIHSU-OAQYLSRUSA-N 337.463 4.381 0 40 EIAB C[C@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 585140799 JPSIQVAIYLTRAH-YOEHRIQHSA-N 333.501 4.400 0 40 EIAB CCOc1cncc(CN[C@@H]2CCCOc3c(Cl)cccc32)c1 621343328 CIWOHLHNTMXMBF-QGZVFWFLSA-N 332.831 4.137 0 40 EIAB Cc1nc(-n2nnc3cc(C)c(C)cc32)c2c3c(sc2n1)CCCC3 91391 ZMLWUGVANYFLAE-UHFFFAOYSA-N 349.463 4.229 0 40 EIAB CCN(CC)C(=O)C[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1 554336 VIVYUPKFFHUSEU-TZIWHRDSSA-N 331.500 4.326 0 40 EIAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(F)c2)cc1 570292 AIJGTRCCLMNPMZ-GFCCVEGCSA-N 346.427 4.130 0 40 EIAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](C)C3 2219583 VOFGTLFGJBGVST-JTQLQIEISA-N 325.799 4.123 0 40 EIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1CCCO1 2639718 LEHXISVXXBFNSN-OAHLLOKOSA-N 340.404 4.206 0 40 EIAB CCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 2796187 IUBCHPRKPXITEC-ATVHPVEESA-N 341.794 4.473 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 3217239 MGSRUMKBLUDONI-MRXNPFEDSA-N 345.826 4.324 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)c3c(F)cccc3Cl)ccc12 3566505 RDTSARNVIGBILP-UHFFFAOYSA-N 332.714 4.113 0 40 EIAB Clc1ccc(Cc2nn3c(-c4cccs4)nnc3s2)cc1 4511854 RYXIAOMGZHKVDR-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)/C=C/c1ccccc1)C2 4888121 LSGJJWILUVPJIQ-NWWDTLLWSA-N 326.484 4.002 0 40 EIAB CCc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCCN32)cc1 4936849 GCDJUTGELUPWRY-GOSISDBHSA-N 325.843 4.479 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1 5127090 XGIGWNJGNLCHCI-UHFFFAOYSA-N 341.379 4.212 0 40 EIAB CCCOc1ccccc1OCC(=O)Nc1ccc(OC)c(Cl)c1 5463560 OWQMELYKAHSQGI-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB c1ccc(COc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 6077179 OCLBLUIJOMDAGH-UHFFFAOYSA-N 344.374 4.034 0 40 EIAB COc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6152134 ZEUVBFJMOFRXPR-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)cc1 6816175 JNIWTAMWSAPEQI-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)Cn1ccc2cc(Br)ccc21 6958867 MBDKDTJJINQYIC-SWLSCSKDSA-N 349.272 4.099 0 40 EIAB Cc1occc1-c1nnc(SCCSc2ccccc2F)n1C 7236662 ZQHVUSCMZUQUTK-UHFFFAOYSA-N 349.456 4.407 0 40 EIAB O=C(CN1CCc2ccccc21)Nc1ccc(N2CCCCCC2)cc1 8192457 VYGBDWGXFQHADI-UHFFFAOYSA-N 349.478 4.068 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 8498981 JUJMUBCVZSZPSG-SIHNGCNOSA-N 327.468 4.156 0 40 EIAB O=C(NCCOc1ccccc1)c1cccc(Oc2ccccc2)c1 9054042 JFYBDPBMMPVLOC-UHFFFAOYSA-N 333.387 4.288 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc2ccccc2n1 10286347 QDUSFWHMPCUGAM-UHFFFAOYSA-N 333.416 4.117 0 40 EIAB COc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 11618704 AQVFEPBFTNZEFF-UHFFFAOYSA-N 332.403 4.413 0 40 EIAB CN(Cc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)[nH]n1 12551705 WSNDITLKIXXQMT-UHFFFAOYSA-N 325.799 4.002 0 40 EIAB O=C1CCc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2N1 12769329 ZEIVRHTXHWUKGU-UHFFFAOYSA-N 336.174 4.097 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1ccccc1C(=O)c1ccccc1 12810649 ATZAZOUEUVHPPV-NRFANRHFSA-N 341.410 4.335 0 40 EIAB CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 12986991 AWICXXJEMHDYDL-UHFFFAOYSA-N 335.190 4.340 0 40 EIAB CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccc[nH]3)o2)c1C 14186460 DHKGSNZYYWPTGN-UHFFFAOYSA-N 341.436 4.485 0 40 EIAB CC(C)c1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)cc1 17295998 YGDFJZJJNFMWNG-UHFFFAOYSA-N 336.435 4.029 0 40 EIAB COC(=O)C1(Cc2ccccc2-c2c[nH]c3ccccc23)CCOCC1 19592461 YGRFCNPXTIVGSY-UHFFFAOYSA-N 349.430 4.347 0 40 EIAB CC(C)(C)c1ccc(-c2noc(COc3ccc(C=O)cc3)n2)cc1 22120845 YZJYCXKNLHFLIC-UHFFFAOYSA-N 336.391 4.426 0 40 EIAB CC[C@@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)N1CCCC1 24798514 NSHRFAINUIBZHK-INIZCTEOSA-N 346.858 4.204 0 40 EIAB CN(C)[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 25332189 FFFCIFLFVFRLRK-KRWDZBQOSA-N 340.448 4.041 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 25879574 FUOYQKSIPDWDEF-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1N1CCCC1 28008960 JZZGIRVJYLZGNV-VAWYXSNFSA-N 333.391 4.080 0 40 EIAB COc1c(C)ccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C 31722710 OVXWMXXDLISTDC-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB O=C(NCCSc1ccccc1)C1(c2ccccc2)CCCC1 32413235 AHKDKZOJQYSXBP-UHFFFAOYSA-N 325.477 4.407 0 40 EIAB Cc1cccc(COc2cccc(C(=O)O[C@@H]3CCCCC3=O)c2)c1 32901724 PNYPPRYSJHDSDD-HXUWFJFHSA-N 338.403 4.243 0 40 EIAB CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CCc2ccccc21 32905682 KHEKIZICMFCXEO-MRXNPFEDSA-N 348.215 4.348 0 40 EIAB Cc1ccc(-c2nc(-c3nnc(Nc4ccccc4)s3)c(N)o2)cc1 35681794 YPHHELZOTNJYHB-UHFFFAOYSA-N 349.419 4.494 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2F)o1 36740256 ZNABNNHXWKUZDO-UHFFFAOYSA-N 345.393 4.155 0 40 EIAB O=C(NCc1cccnc1)c1cc2sccc2n1Cc1ccccc1 37525806 LJLBVRHRQJBAEZ-UHFFFAOYSA-N 347.443 4.076 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1 38754911 RYFDHDOJELBNGZ-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CC(C)(C)c1cn2nc(NCCc3c[nH]c4ccccc34)sc2n1 40039753 NNRYCMLPCLZCSL-UHFFFAOYSA-N 339.468 4.224 0 40 EIAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 40096169 IRWAYAJXUDSTFC-SECBINFHSA-N 336.741 4.155 0 40 EIAB CCc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 41774530 JXLRGBVWLHENML-KRWDZBQOSA-N 337.463 4.175 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N(C)C2CCCCCC2)cc1Cl 43953771 AJWXZUIQZFJYLK-UHFFFAOYSA-N 337.851 4.485 0 40 EIAB CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1ccccc1 45929000 AWJCZLSDIDGXRY-UHFFFAOYSA-N 338.432 4.485 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)[nH]n1 57412582 VTXADSNNZSACNW-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB O=C(Nc1ccc2ncccc2c1)c1c[nH]c(=S)n1-c1ccccc1 58329212 MUVHJFKQESFSNQ-UHFFFAOYSA-N 346.415 4.335 0 40 EIAB COc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(C)C)cs1 58343929 LTBWPKNNBJGEIP-OAHLLOKOSA-N 330.453 4.079 0 40 EIAB CCCc1noc([C@@H](C)Nc2cccc(NC(=O)OCC)c2C)n1 58440264 PERCBRGRHSYTCR-GFCCVEGCSA-N 332.404 4.072 0 40 EIAB CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 60376138 DPMVEZCHJVTKKC-SJORKVTESA-N 345.874 4.009 0 40 EIAB CCOC(=O)/C=C/c1ccc(OCc2ccc(C)c(OC)c2)cc1 62715706 VDFXCRBKQQBCNM-FMIVXFBMSA-N 326.392 4.159 0 40 EIAB Cc1cc(C(=O)N2CCn3cccc3[C@@H]2C)c(C)n1Cc1ccccc1 65610887 XNNOUKAKRPJRIU-SFHVURJKSA-N 347.462 4.172 0 40 EIAB CCN(C(=O)C[C@H](C)c1cccnc1)[C@@H](C)c1cccc(OC)c1 70040462 XXTOHTZJKRIWSK-HOTGVXAUSA-N 326.440 4.194 0 40 EIAB CSCc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1C 71909683 QDABUXWUFWJFTB-UHFFFAOYSA-N 339.464 4.306 0 40 EIAB O=C(C[C@H]1CCOc2ccccc21)N1CCCC[C@H]1c1nccs1 72287471 PYHNWDDJDPDFKH-ZBFHGGJFSA-N 342.464 4.153 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1cnc(Oc2ccccc2)nc1 75172112 FYIIJSTUWQZVMU-UHFFFAOYSA-N 339.782 4.104 0 40 EIAB COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1)C(C)(C)C 79065316 SZLOATODEVANAI-UHFFFAOYSA-N 340.467 4.243 0 40 EIAB Fc1cccc2c1nc(-c1cnn(Cc3ccccc3)c1)n2C1CC1 89841044 PNKQMLICHWEVGF-UHFFFAOYSA-N 332.382 4.422 0 40 EIAB C[C@@]1(NCc2cnn(-c3ccc(F)cc3)c2)CCCc2ccccc21 95397862 WZUFCTKSOZDLLX-OAQYLSRUSA-N 335.426 4.353 0 40 EIAB Cc1csc(CNc2cccc(CSC3CCOCC3)c2)n1 95429213 SPRDLOJWJHOWDW-UHFFFAOYSA-N 334.510 4.476 0 40 EIAB CCOc1cccc2cc([C@H](C)NCC3([C@H](O)C(C)C)CC3)oc12 95463506 VXEZLIGFOPPMRK-IFXJQAMLSA-N 331.456 4.279 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)NC[C@H](C)c2nc(C)cs2)c1 95939107 MBDMIBLYBUSVBC-AAEUAGOBSA-N 333.457 4.084 0 40 EIAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@@H](C)c1ccncc1 95948076 JZUUPCJMZHROMU-HOTGVXAUSA-N 333.435 4.226 0 40 EIAB Cc1csc(CN(C)C(=O)Nc2cccc(OC(F)F)c2C)n1 96411501 NFRIRHTVPRJZRS-UHFFFAOYSA-N 341.383 4.025 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)N2CCCc3cccc(C)c32)cs1 117126627 NXKQPJFOZNRRBI-CQSZACIVSA-N 344.480 4.071 0 40 EIAB Cc1cccc(CSCC(=O)N[C@H](C)CCc2ccccc2)c1 222739945 YHTJDBPKLHTFTB-QGZVFWFLSA-N 327.493 4.366 0 40 EIAB Cc1ccc(NC(=S)NCCCSCc2ccccc2C)nc1 225602243 MRPWIZBLPCMSPH-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](CC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 253617098 DGNCIMCPMIGWCU-QSYBLCTMSA-N 334.500 4.481 0 40 EIAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 557007685 MIRDVDRPRQPJGT-CYBMUJFWSA-N 333.790 4.117 0 40 EIAB CC(C)(C)OC(=O)OCCCC(F)(F)C(F)(F)Br 1083809817 OCYJXGRXLYZZCU-UHFFFAOYSA-N 339.123 4.341 0 40 EIAB CSc1ccc2nc(N3CC[C@@H](c4ccccn4)C3)sc2c1 2298087839 CRQLOYBDWJMLBO-GFCCVEGCSA-N 327.478 4.407 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)c1 189468 WZYJMALVQHCRKX-UHFFFAOYSA-N 341.461 4.241 0 40 EIAB CC(C)CC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 208921 CEWISSOMPPKNKS-UHFFFAOYSA-N 330.240 4.497 0 40 EIAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 213955 NNIDFDGGXNCJLZ-GFCCVEGCSA-N 332.494 4.080 0 40 EIAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)cc1 798415 BNRZOAPBMGXRLQ-JTQLQIEISA-N 331.828 4.336 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)C3CCCCC3)cc2c1 1262029 JWQBOSGBUIZLIG-UHFFFAOYSA-N 340.467 4.154 0 40 EIAB CCOC(=O)N[C@H](SCc1ccccc1)C(Cl)(Cl)Cl 2065292 CYWPGROLGQQYNO-SNVBAGLBSA-N 342.675 4.362 0 40 EIAB O=C1NC2(CCCCCC2)C(=O)N1Cc1c(Cl)cccc1Cl 3407854 NISRWHFLJUVBJM-UHFFFAOYSA-N 341.238 4.138 0 40 EIAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(F)cc3)[nH]c2c1 4273887 RWGYTRNDYKVNJB-JTQLQIEISA-N 330.384 4.074 0 40 EIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)nc(Cl)c1 4280581 FAQJOJWRHNIMRB-UHFFFAOYSA-N 325.239 4.087 0 40 EIAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N1CCCCC1 4700574 HFHVNOSGAGXLBG-UHFFFAOYSA-N 336.435 4.144 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1[C@@H](O)CC(C)(C)C2 5323348 MDHWTKOAIQEJKN-WBMJQRKESA-N 339.435 4.185 0 40 EIAB O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(F)cc1 5557152 WUAJCHANDCTZJN-UHFFFAOYSA-N 328.368 4.320 0 40 EIAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cccs1 5601805 QIXACMZGJWISAL-UHFFFAOYSA-N 331.418 4.341 0 40 EIAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1 6260073 AJKQACJIMVEPGC-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB C[C@H](NC(=S)NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 6763590 KKWVPEDVGLWNGA-YLSINNKHSA-N 344.867 4.105 0 40 EIAB CC(C)c1ccc(NC(=S)N(CCO)Cc2ccccc2)cc1 7526942 CJUKVLYLRUDPIH-UHFFFAOYSA-N 328.481 4.001 0 40 EIAB COc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1OC 7755650 JVUHLAQAZDMVBR-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F 7968320 LPQOWCFAHJGOGA-QMMMGPOBSA-N 329.705 4.163 0 40 EIAB Cc1ccc(CNC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1 8271235 CEBMWNSOQSEAKK-UHFFFAOYSA-N 347.462 4.047 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cccs1 8395787 JXDBXIHFCYCWBC-UHFFFAOYSA-N 348.427 4.203 0 40 EIAB Cc1[nH]c(C(=O)N(C)[C@H](C)c2ccccc2)c(C)c1C(=O)OC(C)C 8404618 DTSTWDJQJKBBCG-OAHLLOKOSA-N 342.439 4.030 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 8735798 RKBHKCZCGQVVDJ-KGLIPLIRSA-N 335.831 4.070 0 40 EIAB COc1ccc(-c2ccnc3[nH]n(-c4ccc(C)c(C)c4)c(=O)c23)cc1 10157181 SIKVNDKBVNVNMV-UHFFFAOYSA-N 345.402 4.006 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2)cc1 10429360 PKNSRJVCTFMYFZ-AWEZNQCLSA-N 344.842 4.346 0 40 EIAB Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@H](O)c2ccccc2)CC1 12187996 JTEUEPDPZVLPDL-NRFANRHFSA-N 349.474 4.277 0 40 EIAB Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1F 12756734 ZJCBEUDVXWNCIG-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1ccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)o1 13992679 ORCKLKXDJAWLIZ-UHFFFAOYSA-N 341.499 4.294 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2cccs2)CC3=O)cc1 14164235 KWAPGWDIDGEVAB-CYBMUJFWSA-N 338.432 4.164 0 40 EIAB O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1cccs1 14202048 WRURWXCJRJCDDF-UHFFFAOYSA-N 337.444 4.223 0 40 EIAB O=C(Nc1ccccc1SC(F)F)c1cc(=O)[nH]c2ccccc12 14603390 LIXJALDGHYRPJR-UHFFFAOYSA-N 346.358 4.095 0 40 EIAB COc1ccccc1Oc1ccc(I)cc1 15020586 FGVNCPWOQYKDHX-UHFFFAOYSA-N 326.133 4.092 0 40 EIAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736526 UFBPKFOWDPKQNQ-LBPRGKRZSA-N 332.831 4.452 0 40 EIAB COc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c1 20671970 QAYYFWDIPBNSOA-AWEZNQCLSA-N 347.418 4.390 0 40 EIAB C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 21797288 PXLUQLCGDKGGTR-CYBMUJFWSA-N 325.799 4.017 0 40 EIAB CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 22527224 YYAMQBAVROSTGY-INIZCTEOSA-N 341.835 4.050 0 40 EIAB Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(-c2ccc(F)cc2)n1 28219965 BPBZXERLMXRYSV-UHFFFAOYSA-N 346.312 4.242 0 40 EIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 28220041 UEACYZRPVNZBRH-UHFFFAOYSA-N 343.789 4.154 0 40 EIAB CNC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2C)cc1 32903308 KINCNMZPXXZGBF-UHFFFAOYSA-N 339.420 4.213 0 40 EIAB CCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccncc2)cc1 32931655 VDHYBIZCSJFFDK-UHFFFAOYSA-N 345.402 4.149 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(Cl)cc2)[C@@H](c2cccc(O)c2)C1 36366154 GUQGBMAMCZHNQA-OAHLLOKOSA-N 339.782 4.355 0 40 EIAB O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccccc2F)on1 40087704 NBHDOIVYRMQHOF-UHFFFAOYSA-N 348.280 4.334 0 40 EIAB Cn1c([C@H]2CCCCN2C(=O)NCc2ccccc2)nc2ccccc21 40156442 VRPWFYPNJRRDEZ-LJQANCHMSA-N 348.450 4.010 0 40 EIAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)cc1 44935872 SKROQPJTEZETHC-OAQYLSRUSA-N 336.479 4.472 0 40 EIAB Cc1csc(C(=O)Nc2cccc3ccc(-n4ccnc4)nc23)c1 49028091 GVDWWIYSMWABRA-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB O=C(c1cccs1)N1CCC(Oc2nc3ccccc3s2)CC1 49028613 BRNQSEVQLWOPKZ-UHFFFAOYSA-N 344.461 4.041 0 40 EIAB CCC(=O)Nc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1 52339324 VBKXOUIIAGOZLG-UHFFFAOYSA-N 345.406 4.283 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1Cc1ccccc1Cl 55524175 CAVHBVIRTCBCDF-AWEZNQCLSA-N 339.826 4.064 0 40 EIAB Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(F)c1 58160682 WFLYBYOBTNDCEU-UHFFFAOYSA-N 348.421 4.452 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1cnn(C(C)C)c1C(F)(F)F 58323221 ZOJVGHXWDYGBEW-GFCCVEGCSA-N 339.361 4.282 0 40 EIAB C[C@H](NCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 69699920 DLTFKNQJOLAFNQ-SFHVURJKSA-N 344.458 4.243 0 40 EIAB COc1ccc(OC)c(NC(=S)Nc2cccc(Cl)c2F)c1 71326175 IVZJALJYZLEAAO-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB CCc1cccc(CC)c1NC(=O)Nc1cnn(Cc2ccccn2)c1 71911708 HWXGGPVKIKLUER-UHFFFAOYSA-N 349.438 4.095 0 40 EIAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C(=O)c1ccccc1 72218897 UUHMASQEIDRTBD-HXUWFJFHSA-N 349.478 4.358 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1 72238570 AQOXBOXJOCVUMH-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)o1 75144324 PUSSUCYVCCTOBJ-UHFFFAOYSA-N 345.761 4.019 0 40 EIAB Cc1ccc2c(CNc3ccn(-c4ccccc4)n3)cc(=O)oc2c1C 79875057 CQZIKCLCLDYBHD-UHFFFAOYSA-N 345.402 4.208 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NCCc2cccc3cccnc23)c1 95419928 HDUZUDZJTWYNQM-OAHLLOKOSA-N 333.435 4.087 0 40 EIAB CCC(CC)n1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)n1 95428432 ACZRHTANTFNGNH-UHFFFAOYSA-N 341.440 4.015 0 40 EIAB CCOC(=O)Nc1cccc(NCc2ccc(COC)cc2)c1C 95428587 MUUWWFKRIFYKAS-UHFFFAOYSA-N 328.412 4.322 0 40 EIAB Cc1nnc([C@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)o1 96007792 CJXLFABIYNWKOE-GOSISDBHSA-N 348.406 4.473 0 40 EIAB O=C(NCc1cccc(F)c1)c1ccc(Oc2cccc(F)c2)o1 96183904 KESLCNIDMGGOTQ-UHFFFAOYSA-N 329.302 4.280 0 40 EIAB CCc1noc([C@H](C)SCCCC(=O)Nc2c(C)cccc2C)n1 96413050 GPMDRPAISAOABI-AWEZNQCLSA-N 347.484 4.462 0 40 EIAB Cc1nc(-c2ccccc2NC(=O)Cn2cnc3ccccc32)cs1 208008367 VSMYJGIQXUTNRJ-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2cc(C)ccc2C)cc1 218948011 LPVILVOPGSKERQ-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224292935 HANSZIVVLPOLIH-UHFFFAOYSA-N 341.451 4.373 0 40 EIAB COc1ccccc1CCCNC(=O)C1(c2ccccc2)CCCC1 225424739 PMSXIHPIIROGEF-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225477259 HTQFHCFJQOKVTL-CQSZACIVSA-N 342.464 4.138 0 40 EIAB CC(C)(C)SCCNC(=O)CSCc1ccc(Cl)cc1F 225542640 OOQRHKLOOOYUGL-UHFFFAOYSA-N 349.924 4.360 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1Cl 225658372 RPGWKOCJKMLUFT-AWEZNQCLSA-N 347.842 4.244 0 40 EIAB O=C(NCc1ccc(-c2ccco2)nc1)c1cccc(C(F)(F)F)c1 225751338 DFSNUDFNCOQUSJ-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB CCc1cc(Br)cc(CC)c1NC(=O)c1coc(C)n1 226096607 SBABIBVNCNXZDP-UHFFFAOYSA-N 337.217 4.123 0 40 EIAB O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccc(Cl)o1 566465659 IYBNBMGYEIKLAF-UHFFFAOYSA-N 338.816 4.079 0 40 EIAB CC1=NCCSCc2ccccc2CSCCNC(C)(C)C1 575329243 CTYXFIPCLTVCHO-UHFFFAOYSA-N 336.570 4.386 0 40 EIAB biogenic COC(=O)c1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)C(C)C)cc1 585145587 YRSUQBRKRHNZRV-IBGZPJMESA-N 339.435 4.491 0 40 EIAB COc1ccccc1-c1ccc(CN[C@@H]2CCCn3nccc32)cc1 631301762 SKYJLMKJFLCBAP-LJQANCHMSA-N 333.435 4.183 0 40 EIAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccco1 170926 CLSPNLOZZIKLID-UHFFFAOYSA-N 348.733 4.079 0 40 EIAB CCOC(=O)[C@@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 492806 LASBQQRIPFOWKP-INIZCTEOSA-N 347.455 4.043 0 40 EIAB biogenic COc1ccc(-c2nc(N)c3c4c(sc3n2)CC[C@@H](C)C4)cc1 501094 VSBYZMZUBFJLAP-SNVBAGLBSA-N 325.437 4.074 0 40 EIAB COC(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 1503420 WTPJKKKBUZGFNA-UHFFFAOYSA-N 331.677 4.333 0 40 EIAB CN(C)C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1670744 RVEVXAOGITYJOC-JOCHJYFZSA-N 331.459 4.268 0 40 EIAB C=CC(=O)Oc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1 2218976 ICITWMHLOOTUIT-UHFFFAOYSA-N 340.375 4.176 0 40 EIAB O=[P@](Nc1ccccn1)(OCC(F)(F)F)Oc1ccccc1 3151889 JZGLCNMRSVNPGW-JOCHJYFZSA-N 332.218 4.260 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4cc(C)cc(C)c4)ncnc32)cc1 4323004 JJXIJSIGNSOYNE-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB CCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 6325810 FCHUREQGVSPUAT-SFQUDFHCSA-N 339.416 4.322 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 6430907 NNZBBCCUPWNWRY-UHFFFAOYSA-N 339.313 4.220 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1C 6667886 WNZNHTOLZAZKCE-UHFFFAOYSA-N 339.844 4.080 0 40 EIAB Cc1ccc(C)c(-c2ccc(=O)n(Cc3ccc(F)cc3Cl)n2)c1 6767423 UTMHGLZZTXAFBD-UHFFFAOYSA-N 342.801 4.368 0 40 EIAB Cc1cc(C)cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 7056360 DXUFGVXPMWVGJI-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB O=C(Nc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 8004158 HSYOOCZFFLLOQH-UHFFFAOYSA-N 328.843 4.191 0 40 EIAB CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 8188653 DZABJAAQOZPBHR-UHFFFAOYSA-N 336.391 4.213 0 40 EIAB CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349313 CEKITHKVTUOQTJ-INIZCTEOSA-N 348.450 4.224 0 40 EIAB CCCOc1ccccc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 8936888 AGKBNRVEIUBWRX-UHFFFAOYSA-N 337.375 4.143 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3nccs3)cs2)c(C)c1 9447514 KXFMZDZWOUWAAW-UHFFFAOYSA-N 329.450 4.065 0 40 EIAB COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc(Cl)c1OC 9516290 TXLNOZCNWDAHDY-SWLSCSKDSA-N 337.847 4.152 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 10444841 RLNFIYIPHJGIBX-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1F 11369364 KNAUCNLHSZFMMN-UHFFFAOYSA-N 332.762 4.080 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2ccccc2)C1 12441513 GMCUGOLAHOHCSS-MRXNPFEDSA-N 336.218 4.207 0 40 EIAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCCO1 13324300 KJKARWKNWLOOHS-MNEFBYGVSA-N 341.476 4.204 0 40 EIAB COc1ccc(-c2noc(CNc3ccc(F)c(Cl)c3)n2)cc1 13367126 UHCQGOMXBKRSGU-UHFFFAOYSA-N 333.750 4.150 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)CCCOc1ccc(Cl)cc1 13670176 RDWVHWIGVJVHSF-CQSZACIVSA-N 329.827 4.477 0 40 EIAB CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 13917735 IPFOWEUMNGCEDZ-LBPRGKRZSA-N 343.254 4.113 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)cc1 13931706 GEUAUWMGORTUNN-MRXNPFEDSA-N 344.480 4.450 0 40 EIAB CCc1cccc(CC)c1NS(=O)(=O)Cc1ccc(Cl)cc1 14291480 ZUPFCDUERGPCIJ-UHFFFAOYSA-N 337.872 4.407 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 15526228 MZEMSKRYAUXZDJ-VGOFMYFVSA-N 336.435 4.337 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 16098912 POEIWTGPAPHYTL-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CCOC(=O)c1cc(NC(=O)Cc2ccc(C)c(C)c2)ccc1Cl 20495142 BTZLRIBNONUNBS-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCCC1=CCCCC1 21003078 NOXFLBGXKNQKIU-UHFFFAOYSA-N 349.858 4.051 0 40 EIAB Clc1snnc1CSc1nnc(NC2CCCCC2)s1 21249836 MGLCZYBWAUJPDQ-UHFFFAOYSA-N 347.922 4.080 0 40 EIAB O=C(Nc1ccccc1F)c1cccnc1Nc1cccc(F)c1 22072834 JKHBYIFFOVDTKZ-UHFFFAOYSA-N 325.318 4.356 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1F 24077846 SLQVKSONYRYANJ-CYBMUJFWSA-N 340.398 4.423 0 40 EIAB CC(C)(C)C1CCC(C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 24901968 FDVZXQRKSVIWDP-UHFFFAOYSA-N 326.444 4.058 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1 25413178 LRKIKBFPKVFKIQ-UHFFFAOYSA-N 325.408 4.304 0 40 EIAB CC[C@H](NC(=O)Cc1ccccc1F)c1ccccc1OC(F)F 27358759 SNUHQQGIKZCTLI-HNNXBMFYSA-N 337.341 4.237 0 40 EIAB COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2OC)cc1 27795699 FUMGHSDJWHADGJ-UHFFFAOYSA-N 337.375 4.144 0 40 EIAB CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 28266477 PACHQRJMHRVMEL-UHFFFAOYSA-N 347.418 4.401 0 40 EIAB Cc1ccc2[nH]/c(=N/C(=O)c3cc(C)nc4ccccc34)sc2c1 28818177 PQNPLCMAGSYSRT-UHFFFAOYSA-N 333.416 4.136 0 40 EIAB O=C(c1cccc(OCc2ccccc2)c1)N1CCOc2ccccc21 30577905 UOBGMUFHBDITOX-UHFFFAOYSA-N 345.398 4.305 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(C)=O)c1 30865846 FZNWHNZEPYGAGE-SFHVURJKSA-N 325.408 4.302 0 40 EIAB COc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)cc2)c1 32091268 HSBKYAPKDMSQLH-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB O=C(CCSc1ccccc1F)NC12CC3CC(CC(C3)C1)C2 32808539 PUNDYGQNENCBLX-UHFFFAOYSA-N 333.472 4.393 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN[C@H]1CCCC[C@@H]1C 35075101 XYNAGHMHYXSCDA-QSFXBCCZSA-N 328.500 4.096 0 40 EIAB C[C@H](OCCCNC(=O)c1ccc2ncsc2c1)c1ccccc1 40050732 XJSLTEHWWJNQRN-AWEZNQCLSA-N 340.448 4.194 0 40 EIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1Cl 44253262 DUGUMKDIRJMZER-UHFFFAOYSA-N 327.808 4.151 0 40 EIAB CCCc1nnc(NC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)s1 47378536 KUTBPIVECNMMBH-NSHDSACASA-N 336.436 4.245 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351382 MEDQWOZACAXPAA-DNVCBOLYSA-N 329.415 4.477 0 40 EIAB Cc1ccc(F)c(NC(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)c1 69454994 GCOWFHDNBWLLDQ-CYBMUJFWSA-N 338.386 4.407 0 40 EIAB CN(C(=O)/C=C/c1ccco1)[C@@H](c1cccc(F)c1)c1ccccn1 69581736 YEKBHOFEQVOVRG-CFGKVWFZSA-N 336.366 4.075 0 40 EIAB CCc1nnsc1C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 69739387 JEXJBCYUANXONX-UHFFFAOYSA-N 345.374 4.298 0 40 EIAB CN(C(=O)C1CCCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F 69809100 JZTHSOZFJKDBSC-SFHVURJKSA-N 330.378 4.098 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)O[C@@H](c1ccccc1)c1ccccn1 71834003 DMOXHCMUNIDECE-QHCPKHFHSA-N 343.426 4.446 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)N(CC)[C@H]2CCCC[C@@H]2C)cs1 71910046 HOYAPFPYCFSQDE-LZWOXQAQSA-N 338.517 4.210 0 40 EIAB Cc1csc(Nc2ccc(NC(=O)CCc3cscn3)cc2)n1 75136849 ABLIUAOSASVMHY-UHFFFAOYSA-N 344.465 4.223 0 40 EIAB O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 76061508 YJLLTYWMUPJGRW-INIZCTEOSA-N 349.409 4.229 0 40 EIAB COc1ccc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC 78420595 KUOQEPMQMAWIOY-LJQANCHMSA-N 339.439 4.067 0 40 EIAB O=C(CCC1CCCCC1)NCCOC(=O)CCC1CCCCC1 84543942 JPHYWHJALDBDPC-UHFFFAOYSA-N 337.504 4.367 0 40 EIAB CCc1ccc(-c2nc(C[S@](=O)Cc3ncc(C)o3)cs2)cc1 95409613 HPQDMUCYMBLMIH-HSZRJFAPSA-N 346.477 4.118 0 40 EIAB COc1cc(CN(C)C(=O)N2[C@H](C)CCC[C@H]2C)ccc1SC 95454500 YEDDUPJSSSWDJK-ZIAGYGMSSA-N 336.501 4.232 0 40 EIAB C[C@@H](c1c(F)cccc1F)[S@](=O)Cc1ccn(C2CCCC2)n1 95966843 MJIBKWVUFYBCES-MYODQAERSA-N 338.423 4.286 0 40 EIAB CCCO[C@@H]1CCCN(C(=O)Nc2ccc3oc(CC)nc3c2)CC1 96410695 CGQFOKJEOHPZFJ-OAHLLOKOSA-N 345.443 4.203 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)NC[C@H](C)c2cccs2)o1 96503262 WPTDRQWZLFDXQB-DZGCQCFKSA-N 348.468 4.138 0 40 EIAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NCCCC)[C@@H](C)C=C(C)[C@H]1[C@H]2C 100741249 KQNWOQWLNRLDSK-AOHBXGRTSA-N 335.488 4.322 0 40 EIAB biogenic COc1ccccc1-c1c(C)nn2c(O)cc(Cc3ccccc3)nc12 102803108 WVXBEBQMOZLHAA-UHFFFAOYSA-N 345.402 4.010 0 40 EIAB CC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118926635 XKGLMCHEWAJRKU-YHKBIIBQSA-N 331.500 4.103 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1C 219504314 RTZXBWCKYGYZER-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(OC)cc2)cc1 223754786 IYVFBGSNNWKLEU-OAHLLOKOSA-N 343.492 4.368 0 40 EIAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COC(C)C 224427316 FGCITNYGBSFGCI-UHFFFAOYSA-N 343.423 4.190 0 40 EIAB CC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCC1 225597167 HXTDYQZJAIDZNT-UHFFFAOYSA-N 330.472 4.070 0 40 EIAB CC(C)Oc1cccc(NC(=O)Cc2cccc(Br)c2)c1 225618932 XFWPIHRAVCZCGI-UHFFFAOYSA-N 348.240 4.418 0 40 EIAB O=C(C1CC1)N1CCC[C@@H]1c1ncn2cc(-c3cccs3)ccc12 306143790 YMHQFXUBLHXREH-MRXNPFEDSA-N 337.448 4.136 0 40 EIAB O=C(Cc1noc2ccccc12)N(Cc1cscn1)c1ccccc1 390833166 DAANJCWDTXVSNB-UHFFFAOYSA-N 349.415 4.060 0 40 EIAB O=c1oc2ccccc2cc1C1=CS[C](Nc2cccc(F)c2)N1 409416300 RDTSLNLJFMXIQT-UHFFFAOYSA-N 339.371 4.126 0 40 EIAB O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1cccc(O)n1 548962578 SELBIIIQFHTMQB-KRWDZBQOSA-N 330.815 4.102 0 40 EIAB Clc1cnn(C2C[C@@H]3CC[C@H](C2)N3C/C=C/c2ccccc2)c1 1775976015 TULJMJDONKWGEC-NGKFSYFYSA-N 327.859 4.418 0 40 EIAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(C(F)(F)F)cc1 445827 LNYRMHLHNXNZLL-NTEUORMPSA-N 335.256 4.189 0 40 EIAB Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 1187419 XRKBVRPJIGXRLQ-UHFFFAOYSA-N 329.831 4.003 0 40 EIAB CCCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1 2286592 OOAUYIWBTNHHMH-UHFFFAOYSA-N 338.860 4.240 0 40 EIAB CCOC(=O)[C@]1(CCCCCCOc2ccc(Cl)cc2)CO1 2570829 DZLOHEOHWICNIL-KRWDZBQOSA-N 326.820 4.001 0 40 EIAB biogenic,investigational CCCCOc1ccc(CC(=O)NCc2ccccc2)cc1Cl 2750057 MYRGYQOPRHPJHA-UHFFFAOYSA-N 331.843 4.378 0 40 EIAB CCOC(=O)N[C@H](Sc1ccc(C)cc1)C(=O)c1ccccc1 3066359 FHHTUFYQWOBXEX-QGZVFWFLSA-N 329.421 4.042 0 40 EIAB CCOc1ccc(OCCC(=O)N[C@H]2CCCc3ccccc32)cc1 3359781 HGEFOCGKJRCPFN-FQEVSTJZSA-N 339.435 4.048 0 40 EIAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccco1 4375339 LZLJACYDOVEZOC-UHFFFAOYSA-N 332.812 4.029 0 40 EIAB COc1ccc(Cc2nnc(Cn3ccc4ccccc43)s2)cc1 4675746 XOAZCMQZYMFWHO-UHFFFAOYSA-N 335.432 4.141 0 40 EIAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1cc(C)on1 4849329 IIMXXZATXQKMBR-UHFFFAOYSA-N 341.436 4.133 0 40 EIAB CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4882259 JSCHDMDXTYLNBN-AYHJJNSGSA-N 330.472 4.097 0 40 EIAB COc1ccc2nc(Cl)c(C=O)c(N(C)c3ccccc3)c2c1 4935222 FRYYLWARUZUWQW-UHFFFAOYSA-N 326.783 4.477 0 40 EIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c(C)c1 5053352 ASQVBAOBQJYAIH-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB O=C(/C=C/c1c(Cl)nc2ccccn12)OC/C=C/c1ccccc1 5562279 RRARWCDXKQINRF-SQXBUMSNSA-N 338.794 4.258 0 40 EIAB O=C(CCCOc1ccccc1)NCCOc1cccc2ccccc12 5873851 MCKJWEPQHJMNNQ-UHFFFAOYSA-N 349.430 4.194 0 40 EIAB Cc1c(Cl)cnn1[C@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 6527581 PUIVAPHRKNSZIW-HDPALTEOSA-N 346.862 4.305 0 40 EIAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1F 7878866 BWNAFHKJMLZDGV-SNVBAGLBSA-N 338.835 4.098 0 40 EIAB CCOc1cc(CNC(C)(C)C)cc(Br)c1OCC 8253801 MZCPTOKUOLUZLG-UHFFFAOYSA-N 330.266 4.135 0 40 EIAB C[C@@H](c1ccccc1)N(C)S(=O)(=O)/C=C/c1ccc(Cl)cc1 8520682 PKYUDZQFMSAYAC-FNDVETGQSA-N 335.856 4.334 0 40 EIAB Cc1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc1C 9669154 JZJSRTANYSGPMF-UHFFFAOYSA-N 340.814 4.182 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 11914662 AXKDMZGXLLKJFF-UHFFFAOYSA-N 337.379 4.085 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c3c([nH]c12)CCCC3 12229179 MKBIPTAEHZXEIF-UHFFFAOYSA-N 348.402 4.070 0 40 EIAB CC1(C)C[C@@H](N(Cc2ccco2)C(=O)Oc2ccccc2)CCO1 12297120 ASGSARYRWXVQDF-HNNXBMFYSA-N 329.396 4.238 0 40 EIAB biogenic CCOc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)o1 12619192 JHUQHFKOXCSHAN-UHFFFAOYSA-N 342.420 4.040 0 40 EIAB Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc2o1 12747923 YYMLXEGQBLINKL-JTQLQIEISA-N 330.771 4.196 0 40 EIAB Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCCC2)c1 12782217 UASGSKCAXINGKU-FXAWDEMLSA-N 337.467 4.342 0 40 EIAB Clc1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccccn1 13211788 QRSUWSNQYICRFH-UHFFFAOYSA-N 334.810 4.389 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2Cl)cc1 15028456 ZZGDLBXRBLIEGA-GFCCVEGCSA-N 335.856 4.146 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1c(C)cc(C)cc1C 20110462 HBDAGOMNWUMXLS-SFHVURJKSA-N 327.424 4.417 0 40 EIAB CC(C)n1nccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1 22290027 OSOPZORTMIVSCK-UHFFFAOYSA-N 345.406 4.055 0 40 EIAB CCCCC[C@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 22884073 RJRSZLZBUVZHJF-ZDUSSCGKSA-N 347.484 4.369 0 40 EIAB CC(=O)c1ccc(SCC(=O)NC2CCCCCCC2)c(F)c1 24016975 CHQICLOXQCFDOR-UHFFFAOYSA-N 337.460 4.350 0 40 EIAB COc1cccc(CC(=O)NCC2(c3ccccc3)CCCCC2)c1 25250401 VMSOSKWXJJXBCX-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB Cc1cccc(-n2ccnc2SCc2nnsc2Cl)c1C 29989911 OKUGRBXBLKPWEX-UHFFFAOYSA-N 336.873 4.286 0 40 EIAB CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 30728846 CGBFTMGKAPXWPF-YRCTWBNTSA-N 344.495 4.408 0 40 EIAB biogenic,in-vitro CC(=O)c1cccc(NC(=O)Cn2ccc3c(Cl)cccc32)c1 32102297 JUZYHAUOQHNCBP-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1Cl 32611700 OSERUPMFHIHUJA-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 32739362 HDUMISNRHRRKAB-UHFFFAOYSA-N 349.862 4.167 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H](C)c3ccccc3)sc2n1 32906137 HKVGMQGFNVPGPB-NSHDSACASA-N 339.464 4.150 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccccc1F 36619725 HMIFMOXXMLUTAI-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB O=C(O)c1ccc(Nc2ccnc3ccc(Br)cc23)cc1 40175590 REPLPPMEMSENAQ-UHFFFAOYSA-N 343.180 4.439 0 40 EIAB Fc1cccc(-c2nnc3sc(/C=C/c4cccs4)nn23)c1 40288166 NFFYNDRUZXTQPN-VOTSOKGWSA-N 328.397 4.224 0 40 EIAB Cc1ccc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 45951965 UGUXZYRMSDWWOB-UHFFFAOYSA-N 347.418 4.291 0 40 EIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1OC 49545434 ZIZFGRXDNSNHCE-UHFFFAOYSA-N 341.436 4.147 0 40 EIAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2cccnc2)C1 49548805 FOTAILYGUFGQND-CQSZACIVSA-N 338.798 4.103 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2c1C 54631665 MDXSLUHWDVFFTP-UHFFFAOYSA-N 332.359 4.143 0 40 EIAB CC(C)c1noc(CCCNC(=O)Nc2cccc3ccccc23)n1 58053504 HAKQGDDXMGARNS-UHFFFAOYSA-N 338.411 4.101 0 40 EIAB C[C@H]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 65566024 BLSLURWNCRBCBY-QMMMGPOBSA-N 341.636 4.066 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccc(Sc3nncs3)cc2)s1 65609173 QHGTVHHWTQVWIS-UHFFFAOYSA-N 348.478 4.015 0 40 EIAB Cc1occc1C(=O)N(C)[C@H](c1cccnc1)c1ccc(F)cc1F 69704430 UZZHXIQQSSKORZ-GOSISDBHSA-N 342.345 4.123 0 40 EIAB C[C@H](c1ccccn1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 71909746 HXZQSXUKKIPWIR-CQSZACIVSA-N 344.842 4.308 0 40 EIAB Cc1noc([C@H](C)NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 72049641 QPLCTYRHOBCQAV-GWCFXTLKSA-N 347.484 4.082 0 40 EIAB C[S@](=O)c1c(Cl)cccc1NC(=O)c1ccc(F)cc1Cl 72310012 ATSCREHLBLGCMN-OAQYLSRUSA-N 346.210 4.122 0 40 EIAB Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2ccccn2)cc1 78552695 FQHFNCPZDQCBIZ-HXUWFJFHSA-N 346.409 4.102 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 78826182 IWDDZAMBFVGDRV-KRWDZBQOSA-N 344.252 4.200 0 40 EIAB O=C(c1cc2c(s1)CCC2)N1CCCCC[C@H]1c1ccncc1 84615084 XFHZZYHEQQIFSJ-INIZCTEOSA-N 326.465 4.389 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@@H]1c1c(F)cccc1F 89768102 RLQXYMSQSLMRSA-QLFBSQMISA-N 349.421 4.066 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)C[C@H](O)c1ccco1 95413278 UJBRODXKVWCLAA-PBHICJAKSA-N 346.427 4.009 0 40 EIAB C[C@H](OC(=O)CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 95468921 BWDJRPHDBVRKQY-GHTZIAJQSA-N 337.463 4.073 0 40 EIAB COc1ccc(-c2cc3nc(C)c(Cc4ccccc4)c(O)n3n2)cc1 102800976 WPMSKSCDYNOHRM-UHFFFAOYSA-N 345.402 4.010 0 40 EIAB Cc1cc(NC(=O)CCc2ccncc2)ccc1Oc1ccncc1 192591141 NLTBEFMIKHKRNN-UHFFFAOYSA-N 333.391 4.149 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2ccc(OC)cc2)cc1 222870516 COXOGZWWKWWGEJ-HXUWFJFHSA-N 341.451 4.074 0 40 EIAB CCCCOCc1cc(C(=O)Nc2cccc(F)c2)ccc1OC 224436181 GUEAFCKSEHBXKV-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1Cl 224552806 DEQUTTHTVYSMBA-GFCCVEGCSA-N 333.815 4.238 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)c1 225183650 KLRRGWXBYUFBST-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB COc1cccc(CCCNC(=S)Nc2cc(C)cc(C)c2)c1 225552320 XTBBBULYTZCNKN-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2cccnc12 225883654 FAEWLKLZRMGYKW-IBGZPJMESA-N 330.428 4.023 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(C(F)(F)F)c2)C1 228833991 MUIHOFZZNGNLKI-ZDUSSCGKSA-N 330.350 4.127 0 40 EIAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cnc3ccccc3c2)ccn1 257257027 KNUZTZYPXMIRHW-HXUWFJFHSA-N 345.446 4.176 0 40 EIAB Cc1c(NC(=O)c2cc3cc(Cl)ccc3o2)cccc1C(=O)O 408613393 WVORSWWYMNTKHV-UHFFFAOYSA-N 329.739 4.345 0 40 EIAB CCC1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 408707540 OBOSADGERIQWFU-UHFFFAOYSA-N 343.254 4.017 0 40 EIAB O=C(NC1(c2ccc(F)cc2F)CCC1)c1cccc2cnccc12 536492194 LZVVNPWPAXXFFP-UHFFFAOYSA-N 338.357 4.322 0 40 EIAB O=C(O)c1ccc(CN2CCC([C@@H](F)c3ccccc3F)CC2)o1 576123694 XNDDBBHDPLGAPU-QGZVFWFLSA-N 335.350 4.040 0 40 EIAB CCO[C@H](c1noc([C@H](C)Cc2ccc(C)cc2)n1)C1CCOCC1 1615571595 MRRLAQSFXAOENT-QAPCUYQASA-N 344.455 4.228 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 59708 XUJIFCNCEQOBQU-NYYWCZLTSA-N 332.197 4.110 0 40 EIAB COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc(OC)c1O 79727 KJWNBEBXNISKDR-MRXNPFEDSA-N 349.386 4.037 0 40 EIAB C[C@H](Oc1ccccc1)c1nn2c(-c3cccc(F)c3)nnc2s1 1018179 HQUFEJYTKMWFKX-NSHDSACASA-N 340.383 4.132 0 40 EIAB CCOC(=O)c1cnc(SCc2ccccc2Cl)nc1Cl 1689518 UTVSBQWOLBMHCU-UHFFFAOYSA-N 343.235 4.252 0 40 EIAB O=C(NCc1ccc(C(=O)O)cc1)Nc1ccc(Cl)c(Cl)c1 2617470 MRSKOOCJBDXXFC-UHFFFAOYSA-N 339.178 4.013 0 40 EIAB O=C(COc1ccccc1Cc1ccccc1)N1CCc2ccccc21 2633668 UDDSDKZQLHORPX-UHFFFAOYSA-N 343.426 4.246 0 40 EIAB CCCCOc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O 2716363 YJKQQVKCQGDOTI-UHFFFAOYSA-N 327.399 4.203 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1C 3251621 NGNZLCWCBMNTDR-AWEZNQCLSA-N 329.465 4.060 0 40 EIAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 4111194 DRVTZMNXHLUOAG-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB COc1cccc(C(O)(c2ccc(F)cc2)c2cccc(OC)c2)c1 4255576 IBGRBNRPXFDQNZ-UHFFFAOYSA-N 338.378 4.127 0 40 EIAB CC(C)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 4328190 WKANPGHSPHNOPX-UHFFFAOYSA-N 327.862 4.078 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)c1cccc(OC(C)C)c1 4487035 WAKGYPGIQAJPTR-UHFFFAOYSA-N 327.409 4.039 0 40 EIAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(O)cc1 4491984 CBIXWXTVMPMPRJ-UHFFFAOYSA-N 333.343 4.010 0 40 EIAB c1ccc(-n2cnnc2SCc2coc(-c3cccs3)n2)cc1 4835167 QTBIYFZYJTUPKK-UHFFFAOYSA-N 340.433 4.276 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc3ccccc23)cc1 5545807 UIHDWDWOZXUPIA-HNNXBMFYSA-N 325.433 4.188 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c(C)c1 5576983 UBSRZLBYXSICSH-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB O=C(CSc1ncccc1C(=O)O)c1ccc(Cl)cc1Cl 6471229 ASHDMYPLRSLFMK-UHFFFAOYSA-N 342.203 4.062 0 40 EIAB Cc1cc(C)c2c(CC(=O)Nc3nnc(C(C)C)s3)coc2c1 6809843 VFQJSCKTAOFVOS-UHFFFAOYSA-N 329.425 4.206 0 40 EIAB aggregator Cc1cc(C)n(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)n1 6826061 MNJAVAITNPCGTK-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCSc3ccccc32)c1 7269226 GNCDALBFOQIXCD-RHSMWYFYSA-N 327.449 4.116 0 40 EIAB O=c1c2ccsc2ncn1Cc1ccccc1Oc1ccccc1 7495382 QPMIJZJBKBLFMP-UHFFFAOYSA-N 334.400 4.299 0 40 EIAB COc1cccc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)c1 7699066 UKOSREPKBDAEEP-UHFFFAOYSA-N 345.442 4.486 0 40 EIAB O=C(NC1CC1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 8293257 GYPLTDOCJATHKF-MRXNPFEDSA-N 336.218 4.392 0 40 EIAB C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCc2ccccc21 8308438 XBVWQKQXOJRBKZ-NSHDSACASA-N 335.234 4.383 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9364945 PADDRIGXSKVZBP-UHFFFAOYSA-N 348.402 4.194 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)Nc3nnc(C4CC4)s3)sc2n1 9368784 HFWZINFOJZQETA-UHFFFAOYSA-N 344.465 4.203 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cccs1 9479664 AEADGQAZDAEKTC-LBPRGKRZSA-N 340.404 4.084 0 40 EIAB Cc1ccc(CN(C)CC(=O)N[C@H](c2cccs2)C(C)C)cc1 11210212 HULSBZNBWXOFTK-IBGZPJMESA-N 330.497 4.002 0 40 EIAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 12080453 WWJVOGUSXDDUAQ-PZJWPPBQSA-N 345.377 4.463 0 40 EIAB FC(F)n1ccnc1CSc1nnc(C2CC2)n1-c1ccccc1 12539258 NLMYIQSTOBIDPJ-UHFFFAOYSA-N 347.394 4.029 0 40 EIAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1ccccc1C 12982553 ZYHCYGGAYWKPTD-MAUKXSAKSA-N 342.508 4.243 0 40 EIAB Cc1ccc(CN2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)cc1 13945734 XEDJJHNVACNXON-OAQYLSRUSA-N 340.511 4.214 0 40 EIAB CCCCCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 14199987 NWYGXIJCRIBDHU-UHFFFAOYSA-N 348.468 4.056 0 40 EIAB COCCn1c(SCCOc2ccccc2C)nc2ccccc21 15860704 ZIDDHIYZQUDMKV-UHFFFAOYSA-N 342.464 4.162 0 40 EIAB CCn1cncc1CN(Cc1ccccn1)Cc1ccccc1Cl 19578557 ACQXSEDCINXQFU-UHFFFAOYSA-N 340.858 4.154 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1cccc(C)c1 20455647 YZMYGLILOSUZCP-IBGZPJMESA-N 325.452 4.210 0 40 EIAB O=C1CCCc2c1c(Nc1ccc(F)cc1)nn2-c1ccc(F)cc1 20672137 CZVONYVVPQBNKP-UHFFFAOYSA-N 339.345 4.413 0 40 EIAB Cc1cc(C(=O)COC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c(C)[nH]1 22410530 ALKZFSYHOHSHKQ-SFHVURJKSA-N 347.842 4.451 0 40 EIAB O=C(c1ccc(OC(F)F)cc1)n1cccc/c1=N\C1CCCCC1 22533447 YQJOUMPDAORPOY-OQKWZONESA-N 346.377 4.011 0 40 EIAB COc1ccc(Br)cc1CN[C@H]1CCOc2ccccc21 25357001 WEILFKJMEHAYDB-HNNXBMFYSA-N 348.240 4.071 0 40 EIAB O=C(OCCOc1ccc(Cl)cc1)c1cccc2ncccc12 32872080 ZXNUAVIHTCDGQJ-UHFFFAOYSA-N 327.767 4.124 0 40 EIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1 38772211 DRVYDFCGWMAURZ-IBGZPJMESA-N 347.480 4.069 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)c1ccccc1Br 40620996 HGAJIYWXDYYCBE-UHFFFAOYSA-N 332.241 4.200 0 40 EIAB CCCCN1C(=O)c2c(oc3ccccc3c2=O)[C@@H]1c1ccc(C)cc1 41105011 MTAUVHIFZBGTDC-IBGZPJMESA-N 347.414 4.447 0 40 EIAB Brc1ccc(OC[C@@H]2CCCNC2)c(-c2ccccc2)c1 42774900 GFDVZENRIRNCLX-CQSZACIVSA-N 346.268 4.495 0 40 EIAB Cc1cc(NC(=O)N[C@@H](C)c2ccccn2)ccc1Br 48333977 SRLNQIUAXSUZOV-NSHDSACASA-N 334.217 4.035 0 40 EIAB Cc1nc2sccn2c1CNC1(c2ccccc2F)CCCC1 57822821 XOIQNQSDDKBRGM-UHFFFAOYSA-N 329.444 4.402 0 40 EIAB O=C(CCOCC(F)(F)F)Nc1ccc2c(c1)oc1ccccc12 58138534 ZKOONAXFSCHAJE-UHFFFAOYSA-N 337.297 4.494 0 40 EIAB CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)CC 58154683 NRNUNTRHVYYPFH-SNVBAGLBSA-N 342.233 4.001 0 40 EIAB CN(Cc1ccc(O)cc1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 65515080 OZRWDGDFELHHIH-UHFFFAOYSA-N 346.839 4.374 0 40 EIAB CN(Cc1csc(-c2cccs2)n1)C1Cc2ccccc2C1 69418364 QMQASPHMGDZCJK-UHFFFAOYSA-N 326.490 4.471 0 40 EIAB CCN(C(=O)CCc1c(C)noc1Cl)[C@H](C)c1ccc(F)cc1 69421284 BNRXVYCHYDPXOS-GFCCVEGCSA-N 338.810 4.318 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N(C(C)C)C1CC1 70006848 BJHJIQOYBAHUMU-VAWYXSNFSA-N 341.430 4.041 0 40 EIAB C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1OC(F)F)C1CC1 71921449 DMWUJBRYDPGYAQ-LBPRGKRZSA-N 347.365 4.441 0 40 EIAB Cc1oc(C)c(C(=O)NCCc2nc3ccccc3n2C(C)C)c1C 72290294 JZSGNOKBBCTTCA-UHFFFAOYSA-N 339.439 4.108 0 40 EIAB Cc1nc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)oc1C 84492670 ORYDLIRCIHJCSJ-UHFFFAOYSA-N 347.846 4.183 0 40 EIAB Cc1cc(C)c(C)c(OC(=O)c2ccccc2N(C)C(=O)C2CC2)c1 95352971 CYNNWJHPEYYABK-UHFFFAOYSA-N 337.419 4.204 0 40 EIAB OC1=Nc2ncn(-c3ccccc3)c2[C@H](c2cccc(O)c2)SC1 95476794 OERTTYWLQLZEMG-KRWDZBQOSA-N 337.404 4.002 0 40 EIAB C[S@](=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)o2)c1 96451281 VJJAHOUNJBHHEE-XMMPIXPASA-N 341.388 4.062 0 40 EIAB CC(C)CN(C(=O)Nc1cnn(-c2ccccc2Cl)c1)C1CC1 97212611 RXMSFBWCOPRVBR-UHFFFAOYSA-N 332.835 4.178 0 40 EIAB COC(=O)c1ccc(CN2c3cc(OC)ccc3C(C)=CC2(C)C)o1 223230806 OQDQOZIQOKHQOO-UHFFFAOYSA-N 341.407 4.277 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCOc2cccc(C)c2C)cc1 223901346 GZMPIWWTEVIDET-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB CCCOCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OC 224411894 PSJBCBYIAJHDID-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1C 224825050 LKDOBGZZFKEFAM-FQEVSTJZSA-N 333.435 4.121 0 40 EIAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 225127803 KWWJCZZYXLGGOL-UHFFFAOYSA-N 336.265 4.270 0 40 EIAB CC[C@H](C)Oc1ccc(I)c2cccnc12 225391087 JZALNZKWTUWOBF-VIFPVBQESA-N 327.165 4.017 0 40 EIAB Cc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2C)cc1C 225700746 FOAODGCFBYDBGZ-SFHVURJKSA-N 325.452 4.128 0 40 EIAB C[C@@H](NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccccc1 225768996 GKTLFSKEWOTJFS-LLVKDONJSA-N 343.839 4.350 0 40 EIAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225809716 XMVNLBVENDWOGU-JLTOFOAXSA-N 327.424 4.382 0 40 EIAB O=C(NCc1cccc2ccccc12)c1conc1-c1ccccc1 225869533 ZMTFQORRIZTBQW-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB Cc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)nc1 225872388 OQLFYYKYIFAVST-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nc(N)sc2c1 226314195 AWVGCDCCIYGMCZ-UHFFFAOYSA-N 349.415 4.293 0 40 EIAB COc1c(C(=O)NCCCn2ccc3ccccc32)oc2ccccc12 252509952 YZAYADWIYKNBRU-UHFFFAOYSA-N 348.402 4.216 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 253505511 XBSQQVJXPODPRW-DNNXKHSDSA-N 344.495 4.386 0 40 EIAB CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@@H]3[C@H]12 257173270 IBROMFNXVVTFTM-BVOGOJNSSA-N 348.446 4.426 0 40 EIAB c1cncc(-c2ccc3c([C@H]4CCCN4Cc4ccoc4)ncn3c2)c1 306143493 YDRXSDYXEDLOJU-LJQANCHMSA-N 344.418 4.326 0 40 EIAB Cc1ccc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)c(C)c1 524729159 GRQPCXOWXWFQAA-UHFFFAOYSA-N 348.354 4.450 0 40 EIAB biogenic O=C(NC[C@H]1CSc2ccccc21)C1(Cc2ccccc2)CCC1 1129182757 UQWSWRVVAVPTTB-KRWDZBQOSA-N 337.488 4.405 0 40 EIAB O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1cccc(F)c1 1136330092 ZUTBTFXLTPFNNC-HXUWFJFHSA-N 334.394 4.280 0 40 EIAB C[C@@H]1CCCN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1 509364 AICUOFFLXFLZMX-SNVBAGLBSA-N 345.244 4.110 0 40 EIAB CSc1nc(SC)c2c3c(sc2n1)CO[C@H](C(C)C)C3 535209 XVPZXQPNEDIPNB-VIFPVBQESA-N 326.512 4.232 0 40 EIAB Cc1nc2sc(C(=O)c3ccccc3F)c(N)c2c2c1CCCC2 535466 UTSOHYBBAZYXAG-UHFFFAOYSA-N 340.423 4.436 0 40 EIAB Cc1ccn2c(NC[C@@H]3CCCO3)c(-c3ccccc3F)nc2c1 883983 BXGHXNWPEFYDTL-AWEZNQCLSA-N 325.387 4.040 0 40 EIAB CC1(C)CCN(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)C1 1680707 FVTFMKWTHZZTJA-VQTJNVASSA-N 341.495 4.402 0 40 EIAB Cc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1C 2404800 QZHQKRNVPCRQJI-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB Cc1ccc([S@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1 3128436 OFLRZTHODSJPTL-DEOSSOPVSA-N 336.456 4.039 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 3166650 GMJPYZNYHDVOST-UHFFFAOYSA-N 340.320 4.342 0 40 EIAB CN(C)c1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 3273838 IXNDAGDUTXGFKF-UHFFFAOYSA-N 338.432 4.233 0 40 EIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 3597926 SITCTBSLWOKSGF-QPJJXVBHSA-N 349.308 4.129 0 40 EIAB CCCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 4265131 QAVCLESTFGDLSB-ZDUSSCGKSA-N 346.521 4.025 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)C1CCCCC1 4600349 YTYCONDCODKXDZ-UHFFFAOYSA-N 348.402 4.006 0 40 EIAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2CC(C)C 4856967 HVOIUCZOOPEFEE-AYHJJNSGSA-N 345.556 4.323 0 40 EIAB O=C(/C=C/c1ccco1)Nc1scc(-c2ccccc2)c1C(=O)O 4859563 WWJDTCKZONJWRU-CMDGGOBGSA-N 339.372 4.358 0 40 EIAB Cc1sc2nc(SC/C=C/c3ccccc3)n(C)c(=O)c2c1C 5014596 BUEOFAKMFGXWGU-JXMROGBWSA-N 342.489 4.417 0 40 EIAB CCOCCC(=O)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12 5029848 VIROKEWJJUKPAS-HXUWFJFHSA-N 334.419 4.225 0 40 EIAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccc(Cl)c1)CC2 5422315 ZDDYPIVSFKMRRG-GFCCVEGCSA-N 345.826 4.117 0 40 EIAB CCCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1OC 6891106 IKHXVEUJIOUMNO-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB c1ccc2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc2c1 7216111 DKRFGJUMHHDHMM-HXUWFJFHSA-N 346.430 4.343 0 40 EIAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c1 7929057 UJHUVYACOUDPOR-GOSISDBHSA-N 345.398 4.107 0 40 EIAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)COc1ccccc1 10157724 YLXHVXITBTYJAX-UHFFFAOYSA-N 337.419 4.303 0 40 EIAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(F)cc2)cc1 10166004 CKBIIXMBWBMLQR-UHFFFAOYSA-N 327.359 4.065 0 40 EIAB CC(=O)N[C@H](CC(=O)Oc1ccc(Cl)cc1C)c1ccc(C)cc1 11464033 POXFSBXWEYQYSW-QGZVFWFLSA-N 345.826 4.130 0 40 EIAB CCN(Cc1ccncc1)Cc1c(-c2ccco2)[nH]c2ncccc12 12222124 NTYKXMIZGWFDBP-UHFFFAOYSA-N 332.407 4.240 0 40 EIAB COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12658103 WGYHVQYXJNPQAA-ZDPVWBBSSA-N 332.484 4.099 0 40 EIAB CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)s1 12756604 RMTZGMULKCSSHS-UHFFFAOYSA-N 348.855 4.022 0 40 EIAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccsc3)no2)c(C)c1 12906735 COTFTRBNVKGABH-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Cl)c1OC 12979264 AOGLSGDPKRENPE-MDWZMJQESA-N 329.783 4.240 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 13565488 LIQGXQPKBKGTSG-CYBMUJFWSA-N 339.826 4.230 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 13710230 QHFXRMMLVFQGAJ-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(C)cc1 13759663 QFVFNHCHJJYDQS-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c(C)c1 13931407 RNMGDUUYQZIFGI-ZDUSSCGKSA-N 328.437 4.080 0 40 EIAB O=C(c1ccc(Br)cc1F)N1CCCc2ccccc21 14183041 HGEJGMISHWNHLL-UHFFFAOYSA-N 334.188 4.181 0 40 EIAB COc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1OC 14471577 FTLCIKVKAFHETA-UHFFFAOYSA-N 327.163 4.230 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)c2ccccc2o1 16753674 QRMSMEOGLPEFRS-UHFFFAOYSA-N 333.265 4.064 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1[C@H]1c2ccccc2C=CN1C(C)=O 17041950 CUVGSISUAFZDNL-SZPZYZBQSA-N 344.414 4.135 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(Br)cc1F 19477034 NROBITGORXKCCG-UHFFFAOYSA-N 339.164 4.241 0 40 EIAB CC(C)c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 20034545 BPXBEPJEEDYTQG-UHFFFAOYSA-N 346.239 4.231 0 40 EIAB O=c1[nH]c(Cc2ccccc2F)nc2sc(-c3ccccc3)cc12 20370119 YAGJPRIIYYQDEE-UHFFFAOYSA-N 336.391 4.382 0 40 EIAB CC1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 21898448 GVUHAKHJIPWTCN-UHFFFAOYSA-N 328.460 4.008 0 40 EIAB O=C(CCCc1cccs1)Nc1nc(CN2CCCCC2)cs1 22238261 PRJQSNLPEZKDLT-UHFFFAOYSA-N 349.525 4.152 0 40 EIAB CCOc1cc(/C=C/C(=O)N(C)Cc2ccc(C)cc2)ccc1OC 23055111 VQWOWMNTAFEEQG-ACCUITESSA-N 339.435 4.074 0 40 EIAB COCc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 25334772 DCPLTAAJAHGYDX-UHFFFAOYSA-N 335.856 4.358 0 40 EIAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27663932 MIHUQSXSUJXUJU-QGZVFWFLSA-N 328.481 4.014 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n1 28219780 BOXPRIISHHGZEB-UHFFFAOYSA-N 328.322 4.103 0 40 EIAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1 28805364 VAMQWEYJEPSTOZ-GFCCVEGCSA-N 329.831 4.053 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 30857925 XQFVSBCGHLWACY-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccs1 32797224 FSFLOSGLGAYLIT-LLVKDONJSA-N 342.386 4.226 0 40 EIAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F 32851134 HFLSHCPPMBBRGF-BDJLRTHQSA-N 332.806 4.083 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(OC)c2)cc1 38753447 AYFKLSOMFUNKOZ-LJQANCHMSA-N 327.424 4.221 0 40 EIAB COc1ccc(CNc2ncnc3c(Br)cccc23)cc1 41470753 DNRWKSCTUWEYIP-UHFFFAOYSA-N 344.212 4.013 0 40 EIAB C[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 44103268 HSGJVTCVFTZKGF-GFCCVEGCSA-N 341.386 4.057 0 40 EIAB CCSc1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 44938699 ZSCXFDYNUVBWRV-UHFFFAOYSA-N 337.448 4.296 0 40 EIAB COc1ccc(-c2nnc(CN(Cc3ccc(C)o3)C(C)C)o2)cc1 52163622 ZJFZFRBHOFAVEH-UHFFFAOYSA-N 341.411 4.057 0 40 EIAB CC1(C)CC(N(Cc2ccccc2)Cc2cccnc2)CC(C)(C)N1 57810546 DBEQXGYEUSFBBN-UHFFFAOYSA-N 337.511 4.393 0 40 EIAB CN(C)c1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1 58714862 QDHRVRQWAJBXLC-UHFFFAOYSA-N 332.856 4.159 0 40 EIAB COCc1c(C(=O)Nc2ccnn2C(C)C)sc2ccccc12 69536019 DIMNRKKFKHXKCV-UHFFFAOYSA-N 329.425 4.077 0 40 EIAB C/C=C/C=C/C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 69622313 FHDWTQCOZLEKCT-YNRRLODASA-N 332.831 4.037 0 40 EIAB Cc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 72414403 PVZTUENQFDVTSY-UHFFFAOYSA-N 344.263 4.089 0 40 EIAB C[C@H](OC(=O)Cc1ccc(F)c(F)c1)c1cnc2ccccc2c1 79075385 DCJKEEOLDIIVNC-LBPRGKRZSA-N 327.330 4.360 0 40 EIAB Cn1cccc1[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2)o1 79666232 AKJWBZDNCRTBFR-LJQANCHMSA-N 349.434 4.332 0 40 EIAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc2ccccc2n1 84595090 KHJOBADREIZFBC-QGZVFWFLSA-N 336.366 4.018 0 40 EIAB C[C@@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccs1 88233145 NTJITOHBIIQNGH-LLVKDONJSA-N 339.420 4.418 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 89262306 JNFAGIPJJIIDNF-UHFFFAOYSA-N 335.146 4.409 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 96415166 JYCLMSDMTJJAPA-SJKOYZFVSA-N 333.382 4.214 0 40 EIAB S=c1sc(SCCCc2cn[nH]c2)nn1-c1ccccc1 97593774 OUIIPZROFWQFTJ-UHFFFAOYSA-N 334.495 4.111 0 40 EIAB CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1-c1c(C)cccc1C 100483822 GLZGZARXNNMGBA-FQEVSTJZSA-N 335.455 4.325 0 40 EIAB Cc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 101084868 YNGAATVRGZSMNI-MAUKXSAKSA-N 328.799 4.418 0 40 EIAB C[C@@H]1CC[C@]2(CO)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCc1ccoc1 104646183 PHKSUFCCGLWIMC-FPWFTKFVSA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro CCC[C@@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1cc(F)ccc1C 107543086 XDSHYHWFEAJAAR-BEFAXECRSA-N 343.446 4.329 0 40 EIAB COc1ccccc1CC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 206873933 AGGLWDKSMRLWLF-GOSISDBHSA-N 341.426 4.173 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)c(C)c1 219307043 IFVILMGLFRSESX-UZLBHIALSA-N 341.451 4.347 0 40 EIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219957502 JSGJDJMBDIBATC-SFHVURJKSA-N 339.435 4.426 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Br)cc1 224803666 SQKSICONKNIWFQ-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB COc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cn1 225520437 SJAPOKDUOPGGSI-UHFFFAOYSA-N 349.459 4.166 0 40 EIAB CC(=O)c1ccc(CCNC(=O)c2cc3ccccc3s2)s1 225672573 FQDOJSVHKUDRPY-UHFFFAOYSA-N 329.446 4.138 0 40 EIAB COC(=O)C1(Cc2ccc(-c3ccc(C)cc3C)cc2)CCOCC1 257227468 FPLADLJCYYDAPL-UHFFFAOYSA-N 338.447 4.483 0 40 EIAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cccc(Br)c1)OC2(C)C 257227846 FREWYDHKVBEZRY-UHELNEPMSA-N 339.273 4.322 0 40 EIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 408708428 ZQHMIWKBZAQVEY-NSHDSACASA-N 345.270 4.265 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C)c2ccccc12 511240553 LJXDTRBEASDJRK-UHFFFAOYSA-N 341.432 4.348 0 40 EIAB O=C(CCc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(F)C2 1775986158 XZQLYOGWQYPRFG-GJZGRUSLSA-N 329.337 4.130 0 40 EIAB CCOc1cccc2sc(N3CC[C@@H](c4ccccn4)C3)nc12 2298091170 AJTJRRFLKGPDCA-CYBMUJFWSA-N 325.437 4.084 0 40 EIAB Cc1ccc(N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 46664 TYNDDYOITSAMBG-CYBMUJFWSA-N 347.629 4.126 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@@H]2C 183402 KPUIORAMYKZOGW-DAQZSUFXSA-N 329.440 4.489 0 40 EIAB biogenic CC(C)(C)Nc1c(-c2cccnc2)nc2ccc(Br)cn12 904286 VSHCVRCPSUZGBQ-UHFFFAOYSA-N 345.244 4.369 0 40 EIAB Cc1ccc2[nH]c(CNC(=O)c3ccc(Cl)cc3Cl)nc2c1 1385873 MTHMKXDASMLELO-UHFFFAOYSA-N 334.206 4.108 0 40 EIAB CCCCN1C(=O)[C@](Cl)(Cc2ccccc2)C(=O)c2ccccc21 2145174 MBKPWPHUWSIVGA-FQEVSTJZSA-N 341.838 4.236 0 40 EIAB CCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1 2629008 CUXYHNGPTASUPT-UHFFFAOYSA-N 326.425 4.242 0 40 EIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 2653994 RIGPAIZXGLFGDX-UHFFFAOYSA-N 349.261 4.483 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCO2 3353465 YELHVBBATKQGRW-KBPBESRZSA-N 340.423 4.368 0 40 EIAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc21 3396153 SLLMZOVZIWBOCG-NSHDSACASA-N 335.234 4.383 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2cccc(F)c2)cc1OCC 3430349 XQCSTIYLYSSUKX-ZDUSSCGKSA-N 331.387 4.114 0 40 EIAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 3881633 AOYBIWCQSGSYJF-RMMWZPCPSA-N 328.452 4.037 0 40 EIAB biogenic CCOC(=O)c1sc2nc(NC(=O)c3ccccc3)sc2c1C 4088245 DJUNHBWPWXQFLL-UHFFFAOYSA-N 346.433 4.095 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@@H]2c1c(Cl)cccc1Cl 4276794 PIUUUIBMRNBSSW-WBVHZDCISA-N 347.201 4.226 0 40 EIAB COc1ccc([C@@]2(c3ccccc3OC)OC(=O)c3ccccc32)cc1 4692317 LAFMFNVPWWILDH-JOCHJYFZSA-N 346.382 4.166 0 40 EIAB c1ccc(-c2nc(NCCc3ccccn3)c3ccccc3n2)cc1 5638034 VKFANENWXCZVNM-UHFFFAOYSA-N 326.403 4.346 0 40 EIAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 5748448 AIYIRMPXLZCNMR-ZDUSSCGKSA-N 345.826 4.189 0 40 EIAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCc2ccccc2C1 8118302 TUVCFJAMYCSZEI-CYBMUJFWSA-N 348.368 4.091 0 40 EIAB C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1Cl 8497943 HBCVVNMSWITLTQ-LBPRGKRZSA-N 340.250 4.043 0 40 EIAB Cc1ccc(-c2nc3ncccn3c2NC(=O)c2cccs2)cc1 8845480 SJPFVAAGPXNHEK-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)sc1Cl 9365733 OBCVULJAASWBPW-UHFFFAOYSA-N 330.192 4.078 0 40 EIAB CC(C)C[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccccc1 10093996 DNSVFIOMQZWQLE-GOSISDBHSA-N 342.508 4.010 0 40 EIAB Cc1cc(C(=O)Nc2cc(F)ccc2C)c2cnn(C(C)C)c2n1 10958270 VDRZDGYYXKBEGY-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB O=C(Nn1cnc2ccccc21)c1cc2c(s1)-c1ccccc1CC2 12822073 NILTXFNDMSKZIA-UHFFFAOYSA-N 345.427 4.247 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 12942047 DHVLVXYOEKKURT-CYBMUJFWSA-N 338.329 4.065 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)s1 13371046 SEEBOWQBMHMZBF-TXEJJXNPSA-N 334.510 4.227 0 40 EIAB COc1cccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 14094305 VHLNOYMRXXQCIT-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB CSc1ncccc1C(=O)Nc1ccc(C)cc1Br 15316191 WVUJQJVRRHFFIK-UHFFFAOYSA-N 337.242 4.127 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(OC(C)C)c1 20041776 BGEBUKOAKGKGRK-SFHVURJKSA-N 331.387 4.409 0 40 EIAB COCc1c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)oc2ccccc12 24040130 LUGFLBPLBMHSJE-LLVKDONJSA-N 345.345 4.348 0 40 EIAB CC(C)[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 25159071 SBAMSOBELZIFLE-LJQANCHMSA-N 337.398 4.139 0 40 EIAB O=C(C(c1ccccc1)c1ccccc1)N1CCOc2ccccc21 30578404 LKRCTXHMRSFDTQ-UHFFFAOYSA-N 329.399 4.244 0 40 EIAB COc1cccc(CC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 32398262 FKQRHTWBXRWFGQ-LJQANCHMSA-N 329.465 4.347 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1Cl 32644444 WMQDYWJQRJOCLC-UHFFFAOYSA-N 343.814 4.185 0 40 EIAB C[C@H](OCCCNC(=O)c1ccc(F)cc1Cl)c1ccccc1 32907562 FCAMDJUNKVSPJT-ZDUSSCGKSA-N 335.806 4.377 0 40 EIAB CC(C)n1nccc1C(=O)Nc1nc2ccc3ccccc3c2s1 36701758 IODOCBQNLMKEDI-UHFFFAOYSA-N 336.420 4.479 0 40 EIAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)c4ccccc43)c2)cs1 38488482 NYOOLHUEGDCGSH-QGZVFWFLSA-N 348.427 4.427 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(F)cc2)cc1 40009490 SQGCTELUOOJCAN-SFHVURJKSA-N 345.439 4.290 0 40 EIAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 45927490 SOXFKDMZIAYACE-GOEBONIOSA-N 343.496 4.348 0 40 EIAB C[C@@H](C(=O)Nc1cccc(F)c1)n1c(-c2cccs2)n[nH]c1=S 58425362 CVCYFCOVCGUSCJ-VIFPVBQESA-N 348.428 4.008 0 40 EIAB Cc1csc(-c2ccc(C(=O)N3CCC[C@H]3c3ccccn3)cc2)n1 69325601 BKSWJNAUUPTOIH-SFHVURJKSA-N 349.459 4.491 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)S[C@@H]1CCCc2ccccc21 69896567 YHJVPRVWUBKUPG-WMLDXEAASA-N 343.496 4.175 0 40 EIAB Cc1cc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c(C)o1 71850966 ZACRQKPRKFMXFF-UHFFFAOYSA-N 344.480 4.006 0 40 EIAB CCCN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214456 KFAGRCPORBYQAP-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 72232229 LRDOKESKKGJKOW-NVXWUHKLSA-N 341.455 4.093 0 40 EIAB CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C)c(NC(C)=O)c1 74644507 WHDQVLNCNWLBMH-HXUWFJFHSA-N 336.435 4.103 0 40 EIAB CCc1ccsc1CNC(=O)c1sccc1Br 75110340 BZGAFWOQWFHKKJ-UHFFFAOYSA-N 330.272 4.065 0 40 EIAB O=C1CCCN1c1cccc(-c2csc(-c3cccc(O)c3)n2)c1 78592984 AFWYIOWGUMUPPC-UHFFFAOYSA-N 336.416 4.310 0 40 EIAB CCc1cnc(CN(C)CCCC(=O)Nc2c(C)cccc2C)s1 89289665 LZWJIDMFNRLEBL-UHFFFAOYSA-N 345.512 4.173 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89529270 OACCLSHGWKLGFO-MOPGFXCFSA-N 334.419 4.207 0 40 EIAB Cc1cc([C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 95419431 OOGUYISZOWZHQH-ZIAGYGMSSA-N 326.469 4.357 0 40 EIAB CCOc1ccc(NC(=O)CCn2ncc3ccc(Cl)cc32)cc1 96181979 VIJUHYGPZURXEP-UHFFFAOYSA-N 343.814 4.117 0 40 EIAB CCCCNC(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 96409025 GSFCLMRFFNEFHT-HSZRJFAPSA-N 336.501 4.190 0 40 EIAB Cc1ncsc1CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 96482820 NZJOEPWWFQOBMC-UHFFFAOYSA-N 345.468 4.361 0 40 EIAB CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223434403 CLIFMUCMBJKCBF-UHFFFAOYSA-N 341.885 4.425 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccccc1 224359060 IROQDHBFWBKXJA-HNNXBMFYSA-N 327.424 4.193 0 40 EIAB COc1ccccc1NC(=O)NCCSCc1cccc(C)c1 225766049 NWPWCVAGNDRXKL-UHFFFAOYSA-N 330.453 4.059 0 40 EIAB CCCCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225830606 SNEXZRIPVVFOSA-UHFFFAOYSA-N 349.434 4.253 0 40 EIAB CCCCOc1ncc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225889971 HHKWGXWLBZOANN-KUHUBIRLSA-N 334.460 4.103 0 40 EIAB CCc1cccc(C)c1NS(=O)(=O)c1cc(C(C)C)ccc1OC 408700788 LWAAPJUCBARKKS-UHFFFAOYSA-N 347.480 4.490 0 40 EIAB Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 409023420 WEFABPHQQZHNGW-UHFFFAOYSA-N 337.847 4.451 0 40 EIAB COc1ccc(F)c(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 1131499343 KPPYYPHOHBGRFU-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB Cc1nc2c(s1)[C@H](N[C@H](C)CCc1n[nH]c3ccccc13)CCC2 1657520235 OMYTVYGHGYVKJS-SJKOYZFVSA-N 340.496 4.316 0 40 EIAB CC(C)CC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888860176 QHBDTUPHIZHJCZ-UHFFFAOYSA-N 331.847 4.035 0 40 EIAB CCOC(=O)CSc1ncnc2scc(-c3ccccc3)c12 132299 NLBUXXCPNGXUPA-UHFFFAOYSA-N 330.434 4.014 0 40 EIAB Oc1ccc(-c2nc3ccccn3c2NCCc2ccccc2)cc1 413679 WTTUSSYVNCRROD-UHFFFAOYSA-N 329.403 4.362 0 40 EIAB CCCN(CCC)C(=O)c1ccccc1C(=O)N(CCC)CCC 484224 UDMBCEPMBBQFOH-UHFFFAOYSA-N 332.488 4.211 0 40 EIAB COc1ccc(-c2cc(O)c3cc(OC)c(OC)cc3c2)cc1OC 490967 ZXJFDCQXOXWZHQ-UHFFFAOYSA-N 340.375 4.247 0 40 EIAB biogenic Cc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)o1 522447 HDOHYFBYRAKYJQ-XLIONFOSSA-N 331.375 4.225 0 40 EIAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1 579003 LPNOXEKVOASMLF-UHFFFAOYSA-N 345.354 4.294 0 40 EIAB COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC 818108 SCVVMLNKRDQMPW-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB COc1ccc(CCSc2nnc(-c3ccc(OC)cc3)o2)cc1 3453366 SSOFGAIBUINLTI-UHFFFAOYSA-N 342.420 4.089 0 40 EIAB CCCNC(=O)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764150 IGCHEKBYQJDGIF-QAPCUYQASA-N 327.472 4.315 0 40 EIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1C 4033064 UBMFJHWIIZJFJK-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB COc1ccc([C@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1F 4772784 MYLHJWVTMYGUNH-NQIIRXRSSA-N 343.442 4.137 0 40 EIAB CC[C@@H](c1ccccc1)c1nn2c(-c3cccs3)nnc2s1 4939192 ODFXNYIMNBBYHF-LBPRGKRZSA-N 326.450 4.456 0 40 EIAB CCC[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 4981426 IQGKXCIZIPCLSZ-INIZCTEOSA-N 327.815 4.488 0 40 EIAB Cc1csc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 5689358 FPJUBJITMUGWFE-UHFFFAOYSA-N 347.509 4.173 0 40 EIAB O=C(c1cc(=O)c2ccc(O)cc2o1)c1ccc(Cl)cc1Cl 6513192 CANJQZFRAWCZJH-UHFFFAOYSA-N 335.142 4.036 0 40 EIAB Cc1ccc(-n2c(C)nn(CN(C)Cc3ccccc3)c2=S)cc1 6986099 UBYOXARMAHWGEM-UHFFFAOYSA-N 338.480 4.110 0 40 EIAB O=C(CCc1ccccc1)OCc1nc(-c2ccc(Cl)cc2)no1 7339324 MBYMBPNYPZYXOT-UHFFFAOYSA-N 342.782 4.066 0 40 EIAB COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 7402135 YHBXPGKTAFQJMP-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB CC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 8725165 KNSOPKLMFBEXIO-AWEZNQCLSA-N 326.421 4.261 0 40 EIAB COc1ccccc1CCC(=O)N[C@H]1CCSc2c(F)cccc21 9456306 HGEQOWNMOJXCRO-INIZCTEOSA-N 345.439 4.120 0 40 EIAB Cc1noc(C(C)C)c1C(=O)NCCC12CC3CC(CC(C3)C1)C2 9835194 MOZWEWZXJPVDOB-UHFFFAOYSA-N 330.472 4.443 0 40 EIAB C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 10809074 BVWLCVOXGUWLSC-SECBINFHSA-N 330.211 4.054 0 40 EIAB C[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)c1ccccc1 11190983 WTYJWKCJHLULNG-NSHDSACASA-N 343.429 4.300 0 40 EIAB O=C1S/C(=C\c2cccs2)C(=O)N1CCOc1ccc(F)cc1 11896189 BADXSIXXLHVYIS-UVTDQMKNSA-N 349.408 4.003 0 40 EIAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccccc1F 12235647 RQLHDASFITURKI-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCCCCC1 12883339 TXVCKPLAKGEHSN-SHJAMOMRSA-N 331.500 4.321 0 40 EIAB biogenic Clc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 13692122 GHTZAMWSNRVANH-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB CCc1nnc(NC(=O)c2ccccc2SCc2ccco2)s1 14016816 ZTPCDEJDUBICDY-UHFFFAOYSA-N 345.449 4.238 0 40 EIAB Cc1ccc(SCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 15976875 RJUNHTSLURQSMU-UHFFFAOYSA-N 339.382 4.422 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)c1c(C)[nH]c2ccccc12 16140495 YZVHQLYMPHQFAQ-UHFFFAOYSA-N 349.478 4.248 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 17067698 XRVLLFYDUHEVGE-AWEZNQCLSA-N 330.387 4.136 0 40 EIAB CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)c(OCC)c1 17299835 BIZXHGQMSQSCTC-SEJMYLSOSA-N 349.452 4.319 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2CCCCC2)cc1 20481317 NYPBEMMZIISGGR-OAQYLSRUSA-N 334.463 4.484 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2ccsc2)n1 21916600 OLHDRKNIJIPDPB-UHFFFAOYSA-N 346.452 4.212 0 40 EIAB CCOc1ccc(SCC(=O)Nc2nc(C3CC3)cs2)cc1 25561393 YEAAJVNUZFELIN-UHFFFAOYSA-N 334.466 4.150 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(-n2cccc2)cc1 28221170 PGIAXCJXBJTSMB-CYBMUJFWSA-N 326.346 4.247 0 40 EIAB C[C@@H]1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)C1 29509760 VONGUDKHHJTQCL-CQSZACIVSA-N 328.481 4.290 0 40 EIAB c1ccc(CN[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 31923728 ACMFQJCYOBJMBZ-HXUWFJFHSA-N 331.415 4.489 0 40 EIAB FC(F)(F)c1ccc(-c2nc3c4ccccc4nc(S)n3n2)cc1 32937951 HBJBKKWKCIJFCQ-UHFFFAOYSA-N 346.337 4.252 0 40 EIAB CCOc1ccccc1NC(=O)/C=C/c1cnc(-c2ccccc2)nc1 33659803 SGGIYZPEFHCOKD-OUKQBFOZSA-N 345.402 4.194 0 40 EIAB O=C(CNCCC1=CCCCC1)NC(c1ccccc1)c1ccccc1 35311552 NZECZLXIMUOTPT-UHFFFAOYSA-N 348.490 4.372 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@H]1Cc2ccccc2C1=O 35316510 RBPKYYKROVTQNM-IAGOWNOFSA-N 329.440 4.221 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38849547 PTCDCJVWLFQDQH-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB CN(Cc1csc(-c2ncccn2)n1)[C@H]1CCCc2ccccc21 51232897 ZCOHJKRWSNFEDU-KRWDZBQOSA-N 336.464 4.110 0 40 EIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 57626720 ULYLRUWNCIPQDB-QKLQHJQFSA-N 344.499 4.012 0 40 EIAB c1ccc(Cc2nnc(SCc3ccn(-c4ccccc4)n3)o2)cc1 58208656 UYCGGGLXPKMNAF-UHFFFAOYSA-N 348.431 4.138 0 40 EIAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@@H](C)CC1 58423885 DNJLYVNFWALJEU-CQSZACIVSA-N 342.439 4.133 0 40 EIAB CC(C)c1nc2ccc(NC(=O)CC(C)(C)CC(=O)O)cc2s1 71834544 OKESRGYXHJEDSO-UHFFFAOYSA-N 334.441 4.249 0 40 EIAB C[C@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1nccs1 71879860 VVIPBFSMEUFMDO-ZDUSSCGKSA-N 347.484 4.019 0 40 EIAB Cc1c(C[S@@](C)=O)cccc1NC(=O)CC(C)(C)c1ccccc1 72286764 GCTWSGYXYOSXGZ-DEOSSOPVSA-N 343.492 4.180 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 78458603 KDXSQFWDJDLREP-QRWLVFNGSA-N 341.451 4.292 0 40 EIAB CN(Cc1ccccn1)C(=O)c1sc2cc(F)ccc2c1Cl 83865618 NSTLOPIYTPXCMZ-UHFFFAOYSA-N 334.803 4.361 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)cc1C 84177739 RBBMFQOUSFBYHQ-GOSISDBHSA-N 337.398 4.296 0 40 EIAB COc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1O 95429085 IESLZNIWLWDWMF-UHFFFAOYSA-N 342.439 4.306 0 40 EIAB C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(Cl)ccc1N(C)C 96413425 LXZXHASYRZYMQQ-LBPRGKRZSA-N 332.835 4.026 0 40 EIAB O=C(CCc1ccsc1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 97016157 XKHONGJIJBRHRW-DLBZAZTESA-N 347.480 4.169 0 40 EIAB Cc1cc(Cl)cnc1NC(=S)NCCCc1ccc(F)cc1 223967393 OCHFCDHBVYFREM-UHFFFAOYSA-N 337.851 4.102 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(C)c(C)c1 224971117 SIJJPAGGPNMILL-HXUWFJFHSA-N 330.516 4.007 0 40 EIAB CSC1(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)CCC1 390835449 NZYCHBWSEULBNT-ZDUSSCGKSA-N 331.485 4.080 0 40 EIAB Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc(F)cc3)C2=O)c1 408841831 HVQBAQPBHQEANK-UDIJICLVSA-N 326.396 4.498 0 40 EIAB COCCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 409243164 ZJHIXOVQQXCUAV-XYOKQWHBSA-N 346.235 4.066 0 40 EIAB Fc1cc(F)cc(C2(c3nc(Cc4cccnc4)no3)CCCC2)c1 528080241 BOKFPFKRMCNNQS-UHFFFAOYSA-N 341.361 4.194 0 40 EIAB CC1(C)CC(=O)c2cnc(SCc3cc(C(C)(C)C)on3)nc2C1 631021450 DIGJXPHPAPUJOQ-UHFFFAOYSA-N 345.468 4.210 0 40 EIAB CC[C@@H](Oc1ccccc1C)c1nnc(Cc2cn3ccccc3n2)o1 1616017820 QJBRKTDVQGSVCW-MRXNPFEDSA-N 348.406 4.147 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1cccc(N(C)C)c1 1889051534 VBOJHBBGRCJIPK-CQSZACIVSA-N 338.476 4.328 0 40 EIAB CCCC(=O)N1CCC[C@@H](Cc2cnc3c(ccn3CC)c2)CC1 2037838547 NDUCLVLAVYHOIN-MRXNPFEDSA-N 327.472 4.028 0 40 EIAB CCc1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1C 93815 IFLVLADRSVCURQ-UHFFFAOYSA-N 340.448 4.297 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 253042 QZUFZGKEBRQBRS-UHFFFAOYSA-N 327.311 4.001 0 40 EIAB CCOc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 528205 VYXMYKLGALMOPK-RTBURBONSA-N 334.423 4.132 0 40 EIAB CCCCNC(=O)Oc1cc(Cl)c2oc(=O)sc2c1Cl 3117234 KSKUUHBYHYFSSH-UHFFFAOYSA-N 336.196 4.050 0 40 EIAB Cc1nn(-c2ccccc2)nc1C(=O)OCc1cccc2ccccc12 3339959 ARKORSOQIUDTKJ-UHFFFAOYSA-N 343.386 4.086 0 40 EIAB CC(C)(C)c1ccc(COC(=O)c2cc(=O)c3ccccc3o2)cc1 3448658 HPOWGXXGSFTTRJ-UHFFFAOYSA-N 336.387 4.448 0 40 EIAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(N)=O)cc1 3851815 LKRCOUPMEPHNEE-HXUWFJFHSA-N 345.402 4.078 0 40 EIAB biogenic CCCC[C@H](CC)C(=O)Nc1nnc(CCc2ccccc2)s1 4696299 VRYRQYMMLJOJBO-HNNXBMFYSA-N 331.485 4.478 0 40 EIAB CCCCc1nc2cc(N)c(C)nc2n1Cc1ccccc1Cl 4832099 CAXVMVYYYKSBMN-UHFFFAOYSA-N 328.847 4.366 0 40 EIAB Cc1nc(SCC(=O)c2cc(C)n(C)c2C)n(CC(C)C)c1C 5178204 GFQAROJXANVXRE-UHFFFAOYSA-N 333.501 4.086 0 40 EIAB O=C1c2cccc3c(O)ccc(c23)C(=O)N1c1cccc2ccccc12 5731752 PXSYDDKMYPCVFR-UHFFFAOYSA-N 339.350 4.499 0 40 EIAB O=c1[nH]cnc2c1oc1nc(-c3ccccc3)cc(-c3ccccc3)c12 6402951 QLPFWTBYBXCBRZ-UHFFFAOYSA-N 339.354 4.398 0 40 EIAB COc1cc(NC(=O)CCCSc2ccccc2)cc(OC)c1 6609077 GOXAGDAVDQTRAV-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB COC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 6610182 HFWMXAWIFQPJCL-UHFFFAOYSA-N 339.416 4.176 0 40 EIAB Cc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1 7505259 XULNMZSOMLHHKI-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB O=S(=O)(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1 7814606 FRNYZUXMEJKQPT-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cncn1-c1ccc(F)cc1 8134420 HSSOZLLZRGDCMK-UHFFFAOYSA-N 349.287 4.283 0 40 EIAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1Cl 9418591 QOMRPMTVOKHKGP-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccncc1 9482847 LNSZFEISWIAWFE-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 9586162 HBCDTVYTWKGRNY-INIZCTEOSA-N 340.467 4.278 0 40 EIAB O=C(CN1CCc2sccc2C1)Nc1c(Cl)cccc1Cl 10341098 KWTQPZNHNOSXPE-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB COc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1OC 10542606 NCJJDZYVURITHR-UHFFFAOYSA-N 341.407 4.278 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12736482 WNNAXJRUAKSABZ-VGSWGCGISA-N 348.490 4.222 0 40 EIAB CC(C)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 13042019 VATZLINWOJIQNN-UHFFFAOYSA-N 329.343 4.028 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)cc1 13931707 GEUAUWMGORTUNN-INIZCTEOSA-N 344.480 4.450 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)cc1 20453574 GYRSRPBPSKZLSQ-KSSFIOAISA-N 329.465 4.443 0 40 EIAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(Cl)c1 23230054 IPTIIIMATMEBOE-KRWDZBQOSA-N 335.856 4.038 0 40 EIAB Cc1ccnc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 24580979 ZVSIHISJFARHSC-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1nc2ccc(NC(=O)N(C)Cc3cccc(F)c3)cc2s1 40103267 JJPMOVQAUJTRPW-UHFFFAOYSA-N 329.400 4.408 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1cnn(-c2ccccc2)n1 40119892 HLPGJFBTNSAHHA-HNNXBMFYSA-N 332.407 4.207 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(OC)cc1 44842765 CCGHNSOMFPPLLZ-APWZRJJASA-N 341.451 4.347 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 44848667 ABPSPAFOMLNLIZ-HOTGVXAUSA-N 343.492 4.313 0 40 EIAB CC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 47001695 OGZVZCKDSIILBG-LJQANCHMSA-N 342.508 4.107 0 40 EIAB CCCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(C)no2)s1 48261300 MQYXFPNQSVQTLW-ZDUSSCGKSA-N 333.457 4.068 0 40 EIAB C[C@@H](NCc1cnc(N2CCCC2)nc1)c1cccc2ccccc12 48681907 SOOINOOFOWWROC-MRXNPFEDSA-N 332.451 4.081 0 40 EIAB C[C@@H](c1ccco1)N(C(=O)Cc1coc(-c2ccccc2)n1)C1CC1 56183165 GZSCUAVFJFHUKR-AWEZNQCLSA-N 336.391 4.229 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 57416227 BYQZCQVDSSLMMW-LLVKDONJSA-N 328.799 4.321 0 40 EIAB Cc1nc(S[C@H](C)c2ccc(F)c(Cl)c2)sc1CC(N)=O 58160028 OQKKZROZLWKQIS-MRVPVSSYSA-N 344.864 4.125 0 40 EIAB CC(C)(C)n1ncc(NCC2(c3ccccc3)CCC2)c(Cl)c1=O 64537801 ZLMJWMOYQKAJBU-UHFFFAOYSA-N 345.874 4.186 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C 65322256 YBMVCAYRTWJCGN-UHFFFAOYSA-N 342.487 4.342 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H]1c1ccncc1 69417422 CZNMJPQFBVTUFJ-KZNAEPCWSA-N 326.827 4.202 0 40 EIAB CC(C)N1CC[C@@H](Nc2nc(-c3ccsc3)nc3ccccc23)C1 71832806 ZQZNLSYYJHAHRU-OAHLLOKOSA-N 338.480 4.253 0 40 EIAB CC(C)(c1ccccc1)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890753 AFFZLCOLBYCOEF-UHFFFAOYSA-N 346.390 4.476 0 40 EIAB O=C(Nc1ccc(Br)c(F)c1)c1cc(F)ccc1F 88085571 HUWRJCYTPPACSE-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB CCOc1ccc(Cl)cc1[C@H](C)NCCc1nc(C(C)C)no1 89578056 YSNPKYQHVOCKJG-LBPRGKRZSA-N 337.851 4.138 0 40 EIAB c1cc(CNc2cccc(-c3nnco3)c2)cc(-c2ccncc2)c1 95428647 KAJPYQLBHZMADO-UHFFFAOYSA-N 328.375 4.411 0 40 EIAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc4ccccc34)O2)n1 96040884 OEYHVOAARFWUHQ-AQNXPRMDSA-N 349.434 4.026 0 40 EIAB Cc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 96446169 IAAPWCDVNCBMGX-YEBMWUKDSA-N 348.443 4.096 0 40 EIAB Cc1csc(C2=C(O)CN([C@@H]3CCCc4ccccc43)C2=N)n1 102733590 QZWISXZAABWFPZ-CQSZACIVSA-N 325.437 4.091 0 40 EIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 113969818 KNKOOXAJLVMWRZ-SFHVURJKSA-N 327.424 4.498 0 40 EIAB COC(=O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccccc12 216953604 MBJRRESSZAXVBN-UHFFFAOYSA-N 327.767 4.078 0 40 EIAB COc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1 225313661 RGMBIGVOTMSOBT-UHFFFAOYSA-N 349.883 4.190 0 40 EIAB COc1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl 225368468 RASIGMOOTCRCSM-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)cc1F 225676734 AEVFBBDKAGPUOX-UHFFFAOYSA-N 326.198 4.495 0 40 EIAB COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1nnc(C(C)C)o1 285360180 FDSXPMQCOPPKEQ-GOEBONIOSA-N 329.444 4.175 0 40 EIAB O=C(N=c1cc[nH]cc1)N1CCCCC[C@H]1c1ccc(Cl)cc1 504161857 HMBDDEWPJHIQCC-KRWDZBQOSA-N 329.831 4.306 0 40 EIAB CCOc1cccc2c1Oc1nc(-c3ccc(C)cc3)nc(O)c1C2 585148652 DYCCKQWFFKCVHY-UHFFFAOYSA-N 334.375 4.253 0 40 EIAB COc1cc(OC)c(NCCC(=O)c2cccs2)cc1Cl 53627 RQHJUUUSZKXBMA-UHFFFAOYSA-N 325.817 4.104 0 40 EIAB Cc1cccc(CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c1 213998 OSBQYRZJBXBKDE-UHFFFAOYSA-N 335.432 4.016 0 40 EIAB Cc1cc(C)cc(-c2nnc3sc(Cc4ccc(F)cc4)nn23)c1 385139 ZMNCFJLKIZKFLK-UHFFFAOYSA-N 338.411 4.200 0 40 EIAB CCCCC(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 2238828 RQZFECTZWWITLQ-UHFFFAOYSA-N 331.803 4.116 0 40 EIAB O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1 2474660 HNQXMVIOIUZZEU-QFIPXVFZSA-N 349.430 4.147 0 40 EIAB COc1ccccc1OCc1ccc(C(=O)NC2CCCCC2)cc1 2751743 MYGXITCLXOJAJA-UHFFFAOYSA-N 339.435 4.337 0 40 EIAB Cc1ccc(C)c(C(=O)OCC(=O)c2ccccc2Br)c1 3227550 FQRYRIBQKGGIMX-UHFFFAOYSA-N 347.208 4.106 0 40 EIAB Cc1cc(C)n(C(=O)CCCCCCCC(=O)n2nc(C)cc2C)n1 3278356 PHCHDMJSWJPOMC-UHFFFAOYSA-N 344.459 4.025 0 40 EIAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)c1cccc(Cl)c1 3378845 NSBZDVSSUUYYAZ-LLVKDONJSA-N 334.824 4.475 0 40 EIAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccccc1 3562874 BVHLYOWTALIEFB-UHFFFAOYSA-N 341.461 4.125 0 40 EIAB Cc1cc(C)n2c(SCC34CC5CC(CC(C5)C3)C4)nnc2n1 6611502 KEKHADBUDFTEDW-UHFFFAOYSA-N 328.485 4.050 0 40 EIAB Cc1cccnc1NC(=O)c1oc2ccc(Br)cc2c1C 6821262 JZHMFIPBECOOQJ-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB O=C(O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1 7881359 GUALWGDGQMMHAS-OAHLLOKOSA-N 347.370 4.070 0 40 EIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cccc(Cl)c1 8291399 OMPBCPMHHPNDRM-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@@H](c1ccccc1)O2 12297025 IIBKUPHYBRWTHU-INIZCTEOSA-N 334.371 4.425 0 40 EIAB biogenic Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1 12422160 KNHMHGVDPJNRLV-UHFFFAOYSA-N 346.308 4.249 0 40 EIAB CC(C)c1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 12781165 ZCUWFBKAIQGOHJ-OAHLLOKOSA-N 331.481 4.064 0 40 EIAB Cc1ccc(F)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12809662 LDPAZOUAAVZBAE-UHFFFAOYSA-N 325.383 4.224 0 40 EIAB Cc1ccc(/C=C/C(=O)NCCSCc2ccccc2F)cc1 13632548 QCTDXFXWVYNFFR-ZHACJKMWSA-N 329.440 4.197 0 40 EIAB COc1cccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)c1 13729224 JMLUKYPZTJZFKB-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB Cc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 14155322 SZUATMFOVFUOPK-UHFFFAOYSA-N 337.847 4.337 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc21 20492368 CHLMAMJFPQIPSG-MOPGFXCFSA-N 327.399 4.177 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(OC)cc1 20625026 MIQJPWGAVGWVQC-HNNXBMFYSA-N 336.407 4.411 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(C)cc2)CC3=O)cc1 20633087 UQURQFJJQZWOPJ-KRWDZBQOSA-N 346.430 4.410 0 40 EIAB Cc1nc(Cc2nnc(SCc3ccc(Cl)s3)o2)cs1 21867775 NXEDMQZUKYEXSY-UHFFFAOYSA-N 343.886 4.433 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 21933739 BNZWOSSHVSMQGD-CYBMUJFWSA-N 335.856 4.016 0 40 EIAB Cc1ccc([C@H](NC(=O)[C@H]2CC2(Cl)Cl)c2ccccc2)cc1 23683828 LZMLYMKRCLFSMF-HZPDHXFCSA-N 334.246 4.394 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@H](C)c1cccs1 24780935 UHZDINNFWZAXTH-GFCCVEGCSA-N 330.428 4.439 0 40 EIAB O=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccccc1)C1CC1 24867558 IMUDJJYDCDEFMN-UHFFFAOYSA-N 344.418 4.025 0 40 EIAB CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c1 28294867 JGZPDLUAIGKZCF-UHFFFAOYSA-N 345.449 4.226 0 40 EIAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc2c(s1)CCC2 30253565 RFDQLBPQYLOCBH-MRXNPFEDSA-N 343.448 4.047 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccc(F)cc1 30873755 QMLKGSQMCCYSOD-OAHLLOKOSA-N 331.456 4.196 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1 32341457 RIJCEEDWBWNWKG-CQSZACIVSA-N 349.883 4.157 0 40 EIAB CN(Cc1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 32808502 YOYZSVFMIYNKRN-UHFFFAOYSA-N 334.448 4.178 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 38752455 CRDWNNYWVYNSCB-CQSZACIVSA-N 325.742 4.414 0 40 EIAB CCOc1ccc(NC(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)cc1 38935565 MPQGBQYZDWPFFB-MRXNPFEDSA-N 340.423 4.115 0 40 EIAB Cc1ccc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 39590864 CMXZYUFYKWQPSI-UHFFFAOYSA-N 342.489 4.464 0 40 EIAB CCOc1cc(C(=O)N2CCc3sccc3[C@@H]2CC)ccc1OC 39996896 VDJRXSZRCHMCMZ-HNNXBMFYSA-N 345.464 4.305 0 40 EIAB COc1ccc(OC)c(NC(=O)N[C@H](c2cccs2)C(C)C)c1 40024002 CCNDWSXJYYLFQS-INIZCTEOSA-N 334.441 4.284 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccc(Cl)cn2)n(-c2ccccc2)n1 71286299 PQASADNWCZVDTI-UHFFFAOYSA-N 340.814 4.296 0 40 EIAB C[C@H](Sc1nnc(-c2cccnc2)n1C)c1ncc(C(C)(C)C)o1 84667929 KEZJIWFLOCIOJI-NSHDSACASA-N 343.456 4.016 0 40 EIAB COc1ccc(C)cc1NCCC(=O)N1CCC[C@@H]2C[C@@H](C)CC[C@@H]21 89618842 NDVUPQVGBBBQNP-WDYCEAGBSA-N 344.499 4.233 0 40 EIAB FC(F)n1ccnc1CSCc1cc(Cl)cc2c1OCOC2 89884684 RODYPECUMIWNAD-UHFFFAOYSA-N 346.786 4.232 0 40 EIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nccs1 95477826 QXINDOWFIQIQPP-CQSZACIVSA-N 345.855 4.411 0 40 EIAB Cc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 96446170 IAAPWCDVNCBMGX-RZFZLAGVSA-N 348.443 4.096 0 40 EIAB Cc1cc(-c2noc(CCc3nnc(C4CCCC4)o3)n2)ccc1F 96471684 WBLQVHVWCAEIRL-UHFFFAOYSA-N 342.374 4.010 0 40 EIAB C[C@@H](OC(=O)[C@H]1CC1(Cl)Cl)c1nc2ccccc2n1C(F)F 97010020 LDFRMINIFRRKCQ-HTQZYQBOSA-N 349.164 4.229 0 40 EIAB CC(C)c1ccc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 105675695 NBZWKSXFOKSUSU-JKSUJKDBSA-N 333.545 4.359 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 113970457 LVYHUYSAGGCHHM-HNAYVOBHSA-N 329.415 4.477 0 40 EIAB O=C(NCCc1ccccc1)c1cc2cc3ccccc3nc2s1 223127386 DQKAXNCOSUXOTF-UHFFFAOYSA-N 332.428 4.422 0 40 EIAB CCOc1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 225460886 XRTSLEKHXMGCAX-SFHVURJKSA-N 326.465 4.449 0 40 EIAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225769342 IEPFIKGSDOEICK-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)oc1C(=O)O 563966840 NIUPCBLDWHHTEB-UHFFFAOYSA-N 338.407 4.147 0 40 EIAB O=C(c1ccccc1F)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646676069 YLJQPDLZLURQLU-UHFFFAOYSA-N 337.316 4.159 0 40 EIAB FC(F)(Br)c1nc2cc(Br)ccc2o1 1848350518 PXNIDOJWJOWACX-UHFFFAOYSA-N 326.922 4.035 0 40 EIAB Clc1cnn(C2C[C@@H]3CC[C@H](C2)N3CCCOc2ccccc2)c1 1888860455 IYTYZKDGCCWKJR-JWTNVVGKSA-N 345.874 4.174 0 40 EIAB COc1ccc2c(c1)c(C(=O)CSc1ccccc1)c(C)n2C 314060 RUYJGQYYWHXUAC-UHFFFAOYSA-N 325.433 4.470 0 40 EIAB FC(F)(F)c1cnc(N2CC=C(N3CCCCC3)CC2)c(Cl)c1 1401399 PONFAOXLUYDTKT-UHFFFAOYSA-N 345.796 4.334 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc2ccccc12 1922909 AFEJTLFLBHVFBH-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB O=C(NCCc1cccc(Cl)c1)c1ccc(Br)cc1 2736656 NFRCPPVEAWBKOL-UHFFFAOYSA-N 338.632 4.075 0 40 EIAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1 4547920 ASCIIIYRFWDHMK-ZSOIEALJSA-N 348.185 4.347 0 40 EIAB CCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 4943160 VLKZWMVSFVXOJF-MRXNPFEDSA-N 333.435 4.275 0 40 EIAB COc1ccc(CCC(=O)Oc2ccc3ccc(OC)cc3c2)cc1 6548416 DDYCAZOGMQKAFA-UHFFFAOYSA-N 336.387 4.395 0 40 EIAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1Cl 6747665 LMXBQJNPYAOQDO-UHFFFAOYSA-N 345.782 4.377 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)n1nnc2cc(Cl)ccc21 6925818 RKRNOYNOGJUOLA-UHFFFAOYSA-N 341.585 4.472 0 40 EIAB COC(=O)c1ccc(Cn2ccc3cc(Br)ccc32)cc1 6950388 KHUIQJDHWLGGGY-UHFFFAOYSA-N 344.208 4.239 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccccc32)c1 7269231 GNCDALBFOQIXCD-PBHICJAKSA-N 327.449 4.116 0 40 EIAB COc1cc(CNCc2ccco2)ccc1OCc1cccs1 7523949 JUKQNRNGGUSLNT-UHFFFAOYSA-N 329.421 4.219 0 40 EIAB Cc1cccc(OCCC(=O)Nc2nc3c(C)cccc3s2)c1 7725248 XIRORVBBCBWOGC-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB Cc1nnc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)s1 7735110 NCROOKKFPUFFME-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 7918121 QRAYESHDGIDXCN-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB O=C(COC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1 7973886 SRLVSZNTTCZPDT-UHFFFAOYSA-N 329.355 4.361 0 40 EIAB COc1cc(C)c(C[C@@H]2SC(=O)N(CC(C)C)C2=O)cc1C(C)C 8333867 KSWIFZRJAZBXNA-KRWDZBQOSA-N 349.496 4.390 0 40 EIAB CSc1nc2ccc(NC(=S)NCc3ccco3)cc2s1 8718884 JZAOROOSICMDJF-UHFFFAOYSA-N 335.479 4.098 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)no1 9205002 FFNFQKMXBHZPLV-UHFFFAOYSA-N 325.349 4.105 0 40 EIAB O=C(NCCc1cccs1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10092527 KNSIVOVJQKNPLK-CABCVRRESA-N 339.382 4.229 0 40 EIAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@H]1c1cccs1 12541494 OCMHSUOAVFSELN-HNNXBMFYSA-N 341.411 4.050 0 40 EIAB COc1cccc(-c2noc(CN3CCCc4cc(C)ccc43)n2)c1 12555818 OMHBAJIGRPBCMZ-UHFFFAOYSA-N 335.407 4.006 0 40 EIAB CCc1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 12977150 OEONDGAULSNMNG-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1 13391325 QSTKVXWOLGPHFX-UHFFFAOYSA-N 327.380 4.124 0 40 EIAB COc1ccc([C@H](C(C)C)N(C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 13681148 GQALBBCARRXNIU-HKUYNNGSSA-N 333.472 4.198 0 40 EIAB O=C(COc1ccccc1Cl)n1cccc/c1=N\C1CCCCC1 14903728 GWUPVADOESPOMZ-DYTRJAOYSA-N 344.842 4.094 0 40 EIAB Cc1nc2cc(NC(=O)CCC(=O)c3ccc(Cl)s3)ccc2o1 15601287 FITOMFUJTYQJEP-UHFFFAOYSA-N 348.811 4.453 0 40 EIAB CCCc1cc([C@@H]2CCCCCN2Cc2cn(CC)nc2C)no1 19525417 DHHUXLPZKZTAAJ-IBGZPJMESA-N 330.476 4.269 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(=O)O)ccc1Cl 20285157 VRCGWTBGVXSANI-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB Clc1ccc(-c2nc3ccccn3c2CN2CCSCC2)cc1 20366174 STESNBNKMJEHDD-UHFFFAOYSA-N 343.883 4.204 0 40 EIAB OC1=Nc2n[nH]cc2[C@H](c2ccc(OCCc3ccccc3)cc2)C1 20745079 VKKSAAZSIDMNHU-KRWDZBQOSA-N 333.391 4.155 0 40 EIAB C[C@@H]1CC(=O)N(Cc2ccc(Br)cc2)c2ccccc2N1 21793369 HNGGXBRVFPRDAH-GFCCVEGCSA-N 345.240 4.186 0 40 EIAB COc1ccc2ccccc2c1CNC[C@@H](c1ccccc1)N(C)C 22925587 DXFNBOIYPQEZEY-NRFANRHFSA-N 334.463 4.241 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCSCc1ccsc1 24192274 OIRIKZGCSLEMQL-UHFFFAOYSA-N 341.501 4.493 0 40 EIAB Cc1nc(SCc2ccc(C(C)(C)C)cc2)sc1CC(N)=O 24901653 CSFQCSLDGOZDDZ-UHFFFAOYSA-N 334.510 4.069 0 40 EIAB CCCc1cc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)sc1C 25155732 WSEDLGPHLKJLKE-UHFFFAOYSA-N 326.425 4.046 0 40 EIAB C[C@H](Nc1ccc2c(c1)OCCCO2)c1nc(-c2cccs2)no1 26994074 OISSBMCALOSVRX-NSHDSACASA-N 343.408 4.133 0 40 EIAB O=C(c1cc2c(F)cccc2s1)N1CCO[C@@H](c2ccccc2)C1 27909125 RWMCDWSWBKKUMS-MRXNPFEDSA-N 341.407 4.254 0 40 EIAB Cc1cnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 32893880 ZOKPEPRBNOUAHQ-UHFFFAOYSA-N 338.432 4.196 0 40 EIAB Oc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 35615918 SDOUZDLVDYISOW-UHFFFAOYSA-N 345.358 4.179 0 40 EIAB COc1ccc(CNCCc2c(C)[nH]c3ccc(C)cc23)cc1OC 36657744 CAIFDCRWIFXENL-UHFFFAOYSA-N 338.451 4.134 0 40 EIAB O=C(CCSc1ccccc1Br)Nc1nccs1 40128182 PJMBOLKXTRDNNL-UHFFFAOYSA-N 343.271 4.027 0 40 EIAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CCCc2ccccc21 46539905 VJMXLTPZRHSULP-LJQANCHMSA-N 333.435 4.032 0 40 EIAB Cc1nc2ccccc2n1CC(=O)N(Cc1ccco1)c1ccccc1 48354702 NFZMKKYPXRXENX-UHFFFAOYSA-N 345.402 4.171 0 40 EIAB CCOc1ccc(NC(=O)c2cc3cc(OCC)ccc3n2C)cc1 49728948 XBTDCGTUEYDMPG-UHFFFAOYSA-N 338.407 4.228 0 40 EIAB COc1ccc(F)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 58167168 OTGNGBOZFGZICM-UHFFFAOYSA-N 336.366 4.072 0 40 EIAB CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(C(C)(C)C)cc1 58263980 CPSDCMUQSYIZJT-UHFFFAOYSA-N 339.407 4.087 0 40 EIAB COCc1nc(C(=O)N(C)C2CCC(c3ccccc3)CC2)cs1 65053407 RHYABZRSCUZEBQ-UHFFFAOYSA-N 344.480 4.088 0 40 EIAB c1csc(-c2nc(CSc3nncc4ccccc34)no2)c1 65552218 KWLKQXYCEHDEQA-UHFFFAOYSA-N 326.406 4.034 0 40 EIAB O=C(CN1Cc2ccccc2C1=O)Nc1ccccc1-c1cccs1 65625211 CALYHYQSKQLAFG-UHFFFAOYSA-N 348.427 4.010 0 40 EIAB C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 66592776 RTPSOLPMBCBKDF-LBPRGKRZSA-N 334.341 4.009 0 40 EIAB COc1cccc(C[S@@](=O)Cc2nc(-c3ccccc3)oc2C)c1 69491123 YNQHQZLPFNMXPY-DEOSSOPVSA-N 341.432 4.108 0 40 EIAB CCN(C(=O)c1cc(C)on1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 69700261 QVIGTPLEWUDIJX-HXUWFJFHSA-N 349.434 4.247 0 40 EIAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216649 AIUWHQIRQCVIIK-HXUWFJFHSA-N 349.478 4.439 0 40 EIAB CC(=O)Nc1cccc(NC(=O)N[C@H](C)Cc2ccc(C)s2)c1C 72291990 CXKPIDUGFRNEDO-LLVKDONJSA-N 345.468 4.076 0 40 EIAB COc1ccc2ccccc2c1CN1[C@H]2CC[C@@H]1Cc1nc(C)ncc12 72340968 OCDHPYUMOFHCFC-IERDGZPVSA-N 345.446 4.209 0 40 EIAB O=C(c1cc(C2CC2)on1)N(CCc1cccs1)Cc1ccco1 75170179 QPKYBOOINFVIMF-UHFFFAOYSA-N 342.420 4.092 0 40 EIAB CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CCC1 81548017 KAXCDDMSEKAKNB-UHFFFAOYSA-N 325.412 4.017 0 40 EIAB C[C@](O)(CN[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 95467445 DTQBCYIHDQFTNM-RTWAWAEBSA-N 343.417 4.398 0 40 EIAB C[C@H](NCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCC(=O)N2 97033125 BKPLPDQGQFGNHJ-AWEZNQCLSA-N 347.418 4.077 0 40 EIAB C[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102132994 GLEPXNKRPNZLGY-YXMPFFBPSA-N 340.439 4.399 0 40 EIAB Cc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C1=O 102681924 RIZSTACIMQUWKD-XAMWDVODSA-N 333.431 4.177 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2Oc3ccccc3[C@@H]2C)n1 107050803 RFSHLQKWWGPALO-QRTARXTBSA-N 342.464 4.070 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1 138623754 UAPPWENLUJZXHZ-UHFFFAOYSA-N 327.443 4.415 0 40 EIAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 216369906 DOPCRAPGOPXDMF-SFHVURJKSA-N 347.480 4.069 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 218931961 LNSQZUAQMHDIRZ-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccccc1 219489956 WATZTEGJPNOCGD-MAUKXSAKSA-N 339.435 4.181 0 40 EIAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222621970 BUONUFUSWZBZFJ-RRQGHBQHSA-N 326.469 4.053 0 40 EIAB Cc1ccc(NC(=S)NCCOc2ccc(C)c(Cl)c2)cc1 224191833 NEPJWDRARDIZAJ-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB COc1ccc(C(=O)NC2CC2)cc1COc1cccc2ccccc12 224298469 IQXCMXZBNNUHRQ-UHFFFAOYSA-N 347.414 4.320 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(OC)c(C)c1 225055738 FTFJHNORUKGFCZ-CRAIPNDOSA-N 327.424 4.038 0 40 EIAB COc1ccccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225096619 NMZRCPGTIVIDAB-SFHVURJKSA-N 328.408 4.067 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(F)cc3)ccc21 225129913 KDYKRESJIFKTQB-UHFFFAOYSA-N 330.384 4.035 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)c(C)c1C 225212336 XSFXCGFZICGTDN-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB CC(=O)c1ccc(CCNC(=O)C2(c3cccs3)CCCC2)s1 225671589 TVPVIKXGOUBJAM-UHFFFAOYSA-N 347.505 4.183 0 40 EIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 531246922 AVRAIJUCJAKLTM-UHFFFAOYSA-N 325.748 4.026 0 40 EIAB C[C@@H](O)[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccc1F 1644392602 KRSPYWRWWFLHQG-VFNWGFHPSA-N 349.405 4.345 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(C)c(Cl)c1 414832 XEAOTOBHLAZOMK-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB O=C(COC(=O)C1CCC1)Nc1ccccc1Sc1ccccc1 2657630 QIVRHBHLRJOHCU-UHFFFAOYSA-N 341.432 4.120 0 40 EIAB COc1ccc(Cl)cc1-c1noc(-c2noc3c2C[C@@H](C)CC3)n1 2803669 VNOPDQGTRBFPLL-VIFPVBQESA-N 345.786 4.178 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F 3399195 QXYCRYKGGQAMRK-UHFFFAOYSA-N 331.293 4.275 0 40 EIAB Cc1ccc(OCCC(=O)Nc2ccc(C)cc2Br)cc1 3613337 NEBOTFNVPKDXHE-UHFFFAOYSA-N 348.240 4.474 0 40 EIAB O[C@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F 3847609 YYCKRUDDFXWNPC-SSDOTTSWSA-N 337.950 4.219 0 40 EIAB biogenic Cc1ccc([C@]2(CC(=O)NCC(C)C)CCO[C@@H](C(C)C)C2)cc1 4087946 QIAVYIRNOGKASV-TZIWHRDSSA-N 331.500 4.230 0 40 EIAB biogenic CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1CC)C2 4857073 XHKJFAGFDOQHKH-AYHJJNSGSA-N 345.556 4.331 0 40 EIAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C1CCCCC1 5904068 ZSCIIOFGCKEPHT-UHFFFAOYSA-N 340.467 4.155 0 40 EIAB CC(C)Cc1nn2cc(-c3ccc(Br)cc3)nc2s1 6748245 RDSZYAXQUGZSJV-UHFFFAOYSA-N 336.258 4.419 0 40 EIAB Cc1nc2ccccc2nc1COc1ccc(Br)cc1 6825247 XHGYGQYOXNPYFH-UHFFFAOYSA-N 329.197 4.280 0 40 EIAB O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1cccs1 7505311 YUYJIMBGMMTNLC-UHFFFAOYSA-N 346.458 4.312 0 40 EIAB CC1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)CC1 7604353 ZHSHSQRMSQSWTJ-UHFFFAOYSA-N 346.430 4.048 0 40 EIAB COc1cccc(C(=O)N[C@H](C)c2cccc3ccccc23)c1OC 8188480 RGJDYNIVJIQUBQ-CQSZACIVSA-N 335.403 4.348 0 40 EIAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1 8883679 RVNXLJCVKZYITQ-GFCCVEGCSA-N 340.370 4.225 0 40 EIAB COc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9547869 VAHZNFBZMLURDU-UYAOXDASSA-N 325.452 4.332 0 40 EIAB O=C(/C=C/c1cccs1)Nc1nnc(-c2cc3ccccc3o2)o1 9828023 SDRMDQJPZRKHIC-BQYQJAHWSA-N 337.360 4.196 0 40 EIAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2ccccn2)cc1 9967671 XNURJDOSTGEKBO-HNNXBMFYSA-N 328.481 4.250 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCc1cccs1 10092537 AVZPDLFILRMGIO-UHFFFAOYSA-N 330.840 4.231 0 40 EIAB CC(=O)c1c[nH]c(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c1 10963405 DWZMWMUUFONEMA-UHFFFAOYSA-N 338.451 4.011 0 40 EIAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11071548 YYQDKHMJEZKKGX-UHFFFAOYSA-N 332.403 4.106 0 40 EIAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CSc1ccccn1 11692535 LBSJNTKZLYCLKB-SFHVURJKSA-N 337.444 4.281 0 40 EIAB O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2ccccc2)C1 11693772 QFOKGFAEZSAMQF-INIZCTEOSA-N 336.218 4.207 0 40 EIAB CCC(CC)NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 12859342 XFRTTXBIJPETFX-UHFFFAOYSA-N 343.452 4.487 0 40 EIAB Cc1nc(COc2cccc(C(=O)Nc3ccccc3F)c2)cs1 12870327 ZTQJAZLZGBWALV-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1ccc2c(CN[C@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 13000870 GFIATOHGMGHFEE-GFCCVEGCSA-N 329.346 4.230 0 40 EIAB O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 13116608 WALSPJVXZJWMIB-WZGPROSRSA-N 328.456 4.278 0 40 EIAB COc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 13687024 IGQVCKWVEIRGKO-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 13947820 KGIMXFFBIGYYLS-AWEZNQCLSA-N 329.465 4.124 0 40 EIAB Cc1cc(Cl)ccc1OC(=O)CC[C@H]1Cc2ccccc2NC1=O 14849315 TWIPESGLGLDFEK-AWEZNQCLSA-N 343.810 4.145 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C)c1C 15480373 QTOUVDRDCWBHKV-FQEVSTJZSA-N 334.419 4.206 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2ccccc2Cl)cc1 17603598 YDRWSSLIEIGOGK-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)Oc2cc(C(C)C)c(Cl)cc2C)no1 21701552 FAEXTDCOJQOPPC-GFCCVEGCSA-N 336.819 4.474 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC[C@@H]1c1ccccc1 22328654 DSWBZXZJPUDAMN-OAHLLOKOSA-N 329.783 4.046 0 40 EIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3Cl)ccc2o1 24831918 UUSCXDBBIHGSHY-SNVBAGLBSA-N 329.787 4.229 0 40 EIAB Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc(F)cc1 28246686 CGYDPVDMUGKTTO-UHFFFAOYSA-N 340.423 4.111 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@H]1CCCc2ccccc21 28644054 AJMZLVHNYZJXJK-NRFANRHFSA-N 347.458 4.332 0 40 EIAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)c(F)c1 29677196 KVCCQCVIVUXGJV-SNVBAGLBSA-N 347.390 4.135 0 40 EIAB Cc1cccc(-c2noc(CN3CCc4sccc4[C@@H]3C)n2)c1 29708024 FFTLIXKNHYGWFV-ZDUSSCGKSA-N 325.437 4.226 0 40 EIAB CC(C)Cc1nc(CSc2ncnc3sc4c(c23)CCC4)no1 31441714 NSLNDIGXVRRCFL-UHFFFAOYSA-N 346.481 4.054 0 40 EIAB O=C(/C=C/c1ccncc1)Nc1cccc(OCc2ccc(F)cc2)c1 32356865 URDMPEAHDVYGLQ-RMKNXTFCSA-N 348.377 4.452 0 40 EIAB CCc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1 32642822 HSAUIZQYUBDRNI-UHFFFAOYSA-N 346.434 4.045 0 40 EIAB Cc1ccc2c(c1)C=C(C(=O)Nc1ccc3oc(=O)ccc3c1)C=CO2 33026942 YSEONKFGIUNCDM-UHFFFAOYSA-N 345.354 4.030 0 40 EIAB Cc1ccccc1OCCSc1nnc2sc3ccccc3n12 35714098 ATAISZKPXIEUSJ-UHFFFAOYSA-N 341.461 4.424 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2cccc(F)c2)C1 36358475 OTTIFOWDQQRJJS-OAHLLOKOSA-N 325.318 4.274 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1Cl 41157067 DWXULMFEEPNDOG-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB O=C(Nc1cccc2ccccc12)N1CCC(CN2CCCC2)CC1 48326520 CNNNWMDSGISSAM-UHFFFAOYSA-N 337.467 4.180 0 40 EIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)o1 54702737 JPZMZJYLLAAYSP-QGZVFWFLSA-N 339.782 4.408 0 40 EIAB COc1cc(C)cc2c1OCC[C@H]2NC(=O)Nc1ccc(Cl)cc1 58281776 OWPWJMQGEFTPKJ-OAHLLOKOSA-N 346.814 4.302 0 40 EIAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccnc(NC2CC2)c1 65548798 VTKTZBPOFMEVPZ-UHFFFAOYSA-N 341.842 4.119 0 40 EIAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)CCc2ccsc2)c1 65565066 FHUJKCURQQVNBG-UHFFFAOYSA-N 339.464 4.430 0 40 EIAB C[C@@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccccc2)cs1 71885981 UBADOVFQUCSBKD-CYBMUJFWSA-N 341.436 4.306 0 40 EIAB CC(=O)Nc1cc(NC(=O)NC(C)(C)c2cccc(C)c2)ccc1C 72290919 XZYZFJDCNGWVEZ-UHFFFAOYSA-N 339.439 4.319 0 40 EIAB O[C@H]1CCCC[C@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 86278384 JVCJQLDNNSNLMV-ZWKOTPCHSA-N 344.480 4.315 0 40 EIAB Cc1ccccc1NC(=O)NCc1sc(-c2ccco2)nc1C 90593455 XFJSHQAOFAJIDX-UHFFFAOYSA-N 327.409 4.342 0 40 EIAB c1ccc(OCc2nc(CN[C@@H]3CCCc4occc43)cs2)cc1 95959233 CBSZGCJLTNSUFT-QGZVFWFLSA-N 340.448 4.482 0 40 EIAB CO[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccsc1 96097404 DUZPWEUQZVZAJV-CYBMUJFWSA-N 330.236 4.172 0 40 EIAB Cc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cn1 96194412 KHLKPRDQOUPYAL-UHFFFAOYSA-N 347.403 4.278 0 40 EIAB CC(C)NC(=O)N1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 96241733 KZPAHICRIQQMSF-UHFFFAOYSA-N 349.478 4.146 0 40 EIAB Clc1ccc(-c2ncc(Cn3ccnc3-c3ccccn3)cn2)cc1 97227957 MISCNFLKHCLCFV-UHFFFAOYSA-N 347.809 4.104 0 40 EIAB Cc1ccc(-c2n[nH]cc2CNCc2cccc(N3CC=CC3)c2)cc1 101442183 CQWVZTNMCIGHBU-UHFFFAOYSA-N 344.462 4.051 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2o1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103077150 JVPLYRPRJVNTFD-JARUQAPTSA-N 344.480 4.249 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1C 113959369 CWJXGKGXIIOPGG-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118919872 NTIDOCUQWIFRTK-GDYGHMJCSA-N 334.500 4.179 0 40 EIAB CSc1cccc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)c1 206587394 ARWSQEFDNLTFJB-UHFFFAOYSA-N 328.368 4.455 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCSCc2ccccc2)c1 218996169 DPSIFDAYFUBGBW-UHFFFAOYSA-N 343.448 4.125 0 40 EIAB CC[C@@H](NC(=O)c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 223084826 RHHBESRJJHQCLY-QGZVFWFLSA-N 327.424 4.202 0 40 EIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC2CCCCC2)cn1 224038517 MJMXWHMMCHHGPS-AWEZNQCLSA-N 332.517 4.080 0 40 EIAB S=C1N[C@@H]2/C(=C\c3ccccc3)CCC[C@@H]2[C@H](c2ccccc2)N1 254708421 GKAOLMKVJJNZGU-CLMCRTRKSA-N 334.488 4.458 0 40 EIAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)n1 257318440 VNXXGQCTCXPNNH-KRWDZBQOSA-N 345.446 4.033 0 40 EIAB CCc1nc(COc2c(NC(C)=O)c3cccc(C)c3n2C)cs1 551981433 YIQANRHAIHJFGY-UHFFFAOYSA-N 343.452 4.043 0 40 EIAB Cc1ccc(C)c(C(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)c1 575614959 ANEILAVLWPWVIN-KRWDZBQOSA-N 333.435 4.049 0 40 EIAB COc1ccccc1-c1nn(CNc2ccccc2F)c(=S)o1 58776 ZHOOQAKXUITRIG-UHFFFAOYSA-N 331.372 4.090 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4OC)ccc1c23 175391 NTEYVMYRWPQEFR-UHFFFAOYSA-N 346.386 4.081 0 40 EIAB O=C(Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1 235771 VXNUIMSLVNPQCY-UHFFFAOYSA-N 337.806 4.215 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C 425775 WZNFKUJGIDMNDO-UHFFFAOYSA-N 339.420 4.081 0 40 EIAB Fc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 531223 KTMXCDZTOSOCSP-JKSUJKDBSA-N 328.778 4.217 0 40 EIAB FC(F)(F)c1cnc(-c2cnc(-c3ccncc3)nc2)c(Cl)c1 1397508 OVHFPHYEKPDWAP-UHFFFAOYSA-N 336.704 4.273 0 40 EIAB O=C(COC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 3228185 WHXRFRPGVRKWRV-UHFFFAOYSA-N 342.700 4.399 0 40 EIAB S=C(NCCc1ccc(Cl)cc1Cl)NCc1ccccc1 3291987 JPVVZDRWWSABSC-UHFFFAOYSA-N 339.291 4.200 0 40 EIAB COc1cc(SC)ccc1C(=O)O[C@H](C)C(=O)c1ccc(C)cc1 3513488 REIFEAJMKNUFLF-CYBMUJFWSA-N 344.432 4.154 0 40 EIAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 3904580 XVOWXCZBOOULSU-SLDRDFCHSA-N 333.387 4.014 0 40 EIAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1 4907261 URTZQZTWKZBPPM-UHFFFAOYSA-N 342.870 4.233 0 40 EIAB Cc1ccc2cccc(OCC(=O)Nc3ccc(F)cc3Cl)c2n1 5198600 NVPBPNMZTHLLEP-UHFFFAOYSA-N 344.773 4.353 0 40 EIAB COc1ccccc1CN1CCCO[P@]1(=O)Nc1ccccc1C 6523263 FCLBCGJLVNGOIA-XMMPIXPASA-N 346.367 4.446 0 40 EIAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3cccs3)oc2c1 6756408 SXTFZKRYGAGGNS-UHFFFAOYSA-N 339.376 4.413 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(CC(C)C)s2)c1 7643201 ZPWMSZMJRVDKRH-UHFFFAOYSA-N 347.484 4.186 0 40 EIAB O=C(Oc1ccccc1Cl)c1cc(Cl)c2c(c1)OCCCO2 7814571 SVNNYLLWVIMBLA-UHFFFAOYSA-N 339.174 4.374 0 40 EIAB O=C(CNc1ccccc1N1CCCCC1)Nc1c(F)cccc1F 8706751 BNSKOGXTEGQEIS-UHFFFAOYSA-N 345.393 4.006 0 40 EIAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137763 ZKVNKIDLAARSGV-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1 9320908 IBLHVTAUPMWVAA-QGZVFWFLSA-N 347.418 4.182 0 40 EIAB OCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 10315493 PZRGQNUXMDODTE-UHFFFAOYSA-N 349.261 4.078 0 40 EIAB Cc1c(CN(CCc2ccccc2)Cc2cccs2)cnn1C 12327074 AEZTXQZSSJJZIF-UHFFFAOYSA-N 325.481 4.035 0 40 EIAB Nc1nc(CSC2=Nc3ccccc3CS2)nc2ccccc12 12533284 AGGYXVSJHBGITN-UHFFFAOYSA-N 338.461 4.380 0 40 EIAB COc1ccccc1-n1c(S)nnc1-c1ccc(F)c(Cl)c1 12563506 UMFYGABQPPPSLG-UHFFFAOYSA-N 335.791 4.024 0 40 EIAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 12796227 CJJYOEBSCZXWCV-LBPRGKRZSA-N 349.887 4.281 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 12893954 CATYMHXFPKNEBH-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CCCCNc1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 13207074 VSIQFZPGRRAZGE-UHFFFAOYSA-N 340.427 4.143 0 40 EIAB Cc1ccc(-n2c(S)nnc2-c2ccccc2Br)cc1 13534198 FWRHKYLXARWQIA-UHFFFAOYSA-N 346.253 4.294 0 40 EIAB C=Cc1ccc(COC(=O)c2nnn(-c3ccc(CC)cc3)c2C)cc1 16841509 KAOTYQPYEBMXIB-UHFFFAOYSA-N 347.418 4.138 0 40 EIAB O=C(Cc1csc(Nc2ccccc2)n1)NCC1CCCCC1 16850092 OYQYHJFHFHRFDO-UHFFFAOYSA-N 329.469 4.126 0 40 EIAB CCN(Cc1cncn1C)c1cccc(OCc2cccc(F)c2)c1 19526664 ICGHURZAESEVIQ-UHFFFAOYSA-N 339.414 4.165 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2cc(Cl)ccc2Cl)c1 20447827 DXVPADQJQNJKLF-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1OCC 20461877 GWECZEGSZGXMPT-MRXNPFEDSA-N 341.451 4.294 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 20493776 MFICQMSNLOJXFF-INIZCTEOSA-N 343.492 4.412 0 40 EIAB Cc1cc(Sc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1 24832434 UYWQYVZNSYAQNC-UHFFFAOYSA-N 344.749 4.256 0 40 EIAB COc1ccc(CN[C@@H]2CCOc3ccccc32)cc1Br 25357169 IGYOFPABDNLUSZ-OAHLLOKOSA-N 348.240 4.071 0 40 EIAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(Cl)c(Cl)c1 25661461 QLIFEKVRCVRWOQ-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CCCC1 28305166 ORCZRUPZSGSMHJ-UHFFFAOYSA-N 337.345 4.079 0 40 EIAB CC(C)[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccs1 29097683 ALXZAWPRMBZWDZ-IBGZPJMESA-N 341.480 4.461 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)NCC1(c2ccccc2)CC1 30621120 JPYAZGFBTPAVCH-UHFFFAOYSA-N 338.432 4.173 0 40 EIAB c1ccc(-c2csc3ncnc(NCCc4ccccn4)c23)cc1 36264045 VNSDUASRCJVCQV-UHFFFAOYSA-N 332.432 4.408 0 40 EIAB Clc1cc(Cl)cc(-c2nn3c(-c4ccncc4)nnc3s2)c1 36358504 SUMHFGFDIWSPDQ-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB C[C@@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 40071283 ZVUILHDCYIJURD-OSMZGAPFSA-N 332.341 4.307 0 40 EIAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3C)cc2c1 40949395 KMQIDHVXEGEGNI-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB Cc1c([C@@H](C)NC(=O)Nc2nnc(C3CC3)s2)oc2ccccc12 47347565 NRTJVQYWKACBAH-SNVBAGLBSA-N 342.424 4.353 0 40 EIAB O=C(NCc1cccs1)Nc1ccc(Oc2cccc(F)c2)nc1 48343557 DAGICAUJKVQNTH-UHFFFAOYSA-N 343.383 4.396 0 40 EIAB O=S(=O)(Nc1cccc(Oc2ccccc2)c1)c1ccccc1 57432507 BYNAVRFXSMQDAK-UHFFFAOYSA-N 325.389 4.280 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCCCCCC1 58158732 BIMJSVKMVZVOHQ-UHFFFAOYSA-N 329.444 4.048 0 40 EIAB Cc1cccc(Nc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)c1 58163114 WZMYJAXJEXUFEQ-UHFFFAOYSA-N 337.404 4.307 0 40 EIAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H](c2ccccc2)CC1 66762201 HGLWTAIPTFLRGW-MRXNPFEDSA-N 346.858 4.365 0 40 EIAB O=C(C[C@H]1OCCc2ccsc21)N1CCC[C@@H]1c1ccsc1 69564725 WBKFQBCPHUVFED-HUUCEWRRSA-N 333.478 4.177 0 40 EIAB CCOC1CCN(C(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)CC1 69571301 RXTIVTMNHYKCPP-CYBMUJFWSA-N 348.418 4.152 0 40 EIAB Cn1ccc2c(C(=O)N3CCC(OC4CCCCC4)CC3)cccc21 71862932 WOWJTZZDLYSVNZ-UHFFFAOYSA-N 340.467 4.132 0 40 EIAB CO[C@@H](C(=O)NCCc1cc(Cl)cc(Cl)c1)c1ccccc1 72040470 LNLOBONKSNHCQL-MRXNPFEDSA-N 338.234 4.040 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1cnc(C)c(Cl)c1C 72265136 DVNXCCLCJQEJCU-UHFFFAOYSA-N 325.195 4.266 0 40 EIAB Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(Cl)c2c1 72329835 AZULIHLMOQDNBZ-UHFFFAOYSA-N 349.814 4.477 0 40 EIAB CC(=O)Nc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1F 76511077 CJOQTKVSSPICHR-QGZVFWFLSA-N 344.386 4.135 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)N(C)Cc1cc2ccccc2o1 84008377 CRLJDECFWLULAV-UHFFFAOYSA-N 340.427 4.491 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(Cc3noc(CC(C)C)n3)C2)cc1 84148789 DCIGGPDFGMXYGK-SFHVURJKSA-N 327.472 4.031 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1OC 84734804 RHTOWYPPEAWLRK-INIZCTEOSA-N 331.391 4.234 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc3[nH]ccc23)s1 106945205 OGVONZFACFSWGW-NSHDSACASA-N 328.441 4.466 0 40 EIAB COc1cccc2cc(-c3nnc(-c4ccccc4F)o3)c(C)nc12 216606278 GUDJIGGIKWEWEM-UHFFFAOYSA-N 335.338 4.408 0 40 EIAB O=C(NCCCN1CCCc2ccccc21)c1cc2ccccc2o1 219951609 MJDSHKCIWRKMIF-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB CC[C@@H](NC(=O)CCc1ccccc1F)c1ccc(OC)c(OC)c1 223562407 SJVUIEDMYYVRCF-QGZVFWFLSA-N 345.414 4.043 0 40 EIAB COc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C 223639956 DDVUYMHGNXFMOO-MRXNPFEDSA-N 325.452 4.490 0 40 EIAB CC(C)c1ccccc1OCC(=O)NC(C)(C)Cc1ccccc1 224066499 MQGOAHNJZGQXCN-UHFFFAOYSA-N 325.452 4.326 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224602117 AFAMAXKQEBHLOP-AWEZNQCLSA-N 347.414 4.353 0 40 EIAB COc1ccc(CCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225315815 QOVIZCXNLKNQDF-UHFFFAOYSA-N 344.480 4.012 0 40 EIAB CC[C@H](NC(=O)Nc1ccccc1OC)c1ccc(OC)c(C)c1 225771016 HQYNMQBEMIBIGX-HNNXBMFYSA-N 328.412 4.285 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3)nc2c1 226281959 GTLOEXIZXNNZDM-UHFFFAOYSA-N 334.297 4.410 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCSCc2ccco2)c1 408927288 UYVXJXZMKGOZHZ-UHFFFAOYSA-N 349.521 4.179 0 40 EIAB CO[C@@H](C=C(C)C)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 514288265 ZKUVESFSLKJZMT-DWCFMXGVSA-N 328.408 4.489 0 40 EIAB biogenic,in-vitro Cc1ccc(CN(Cc2nnc([C@@H]3CCCOC3)o2)C(C)(C)C)cc1 585123493 RHXOWVQIUAMIRX-QGZVFWFLSA-N 343.471 4.073 0 40 EIAB O=C(c1ccoc1C1CC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 646251764 AXJIBSPMCBUPKP-UHFFFAOYSA-N 349.434 4.128 0 40 EIAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1OC 1388685 INFOKYJHFGKWRY-UHFFFAOYSA-N 331.224 4.093 0 40 EIAB CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)c(C)c2)N1 1849706 IESZLNMUODLFMA-SFHVURJKSA-N 345.899 4.419 0 40 EIAB Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn12)[C@@H](C)CCC3 2328177 VCGPFEVZMUYTGI-JTQLQIEISA-N 335.436 4.149 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1 2796057 WAUPNGQNNOZQOB-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 3606558 XVYYEDTWUAMDBA-SCLBCKFNSA-N 329.827 4.301 0 40 EIAB Cc1ccccc1Nc1nc(C(=O)NCc2ccc(F)cc2)cs1 4687867 HMNLNAKIYQWIPF-UHFFFAOYSA-N 341.411 4.264 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(CC)cc1 4910046 RDHHYKYCIWVZNE-IBGZPJMESA-N 335.407 4.187 0 40 EIAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc2nsnc2c1 5007252 BDDCSMIZKBVHRD-UHFFFAOYSA-N 341.411 4.030 0 40 EIAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c1 5307775 UVPXVXVHAADDNG-UHFFFAOYSA-N 343.448 4.039 0 40 EIAB COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c(OC)c1 5461209 YMLPTXDDQUZJOD-UHFFFAOYSA-N 339.391 4.248 0 40 EIAB CCCc1cc(=O)oc2cc(OCC(=O)c3ccc(C)cc3)ccc12 5546835 KGRZHRPLVLEIQX-UHFFFAOYSA-N 336.387 4.316 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 5864689 FOVAAQFMXCBZJK-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(F)cc1 6307493 ZSNHSJIPEAVWIQ-UHFFFAOYSA-N 331.387 4.149 0 40 EIAB Cc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1Cl 6876679 BBFRXBNSYWIYSH-UHFFFAOYSA-N 346.770 4.052 0 40 EIAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(Cl)c1Cl 6881925 VAACTTPNVPNLFH-CHWSQXEVSA-N 341.282 4.444 0 40 EIAB O=c1[nH]c(/C(Cl)=C/c2cccc(F)c2)nc2sc3c(c12)CCC3 7488883 ZNRCXSGBPVDTGO-WQLSENKSSA-N 346.814 4.349 0 40 EIAB Cc1noc(C)c1C(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 7980112 XVYMQOBNPZLZJT-SECBINFHSA-N 349.843 4.083 0 40 EIAB Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2nc1C 8060911 RWNKXGCFXYYMQL-UHFFFAOYSA-N 329.762 4.291 0 40 EIAB CN(CCCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1 8115107 YJHCPONPWOJWKR-UHFFFAOYSA-N 332.447 4.092 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(Cl)c2)CC1 9062873 MRZXMUQJYLOMTF-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB CCCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 9154789 LSNIXLSEEYJRCE-UHFFFAOYSA-N 335.404 4.036 0 40 EIAB Cc1ccccc1OCC(=O)N(Cc1ccco1)Cc1cccs1 9204337 NYQMTPZXIGHFFR-UHFFFAOYSA-N 341.432 4.257 0 40 EIAB CSc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(F)cc1)N2 10156733 LETFIIDOGHIKSF-INIZCTEOSA-N 338.411 4.195 0 40 EIAB Cc1noc(-c2cnc(N3CCCCCC3)nc2-c2ccco2)c1C 12186789 AOKDFOMUUZDEFZ-UHFFFAOYSA-N 338.411 4.389 0 40 EIAB C=Cc1ccc(CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 12415912 YPPYGONGKUUCKS-UHFFFAOYSA-N 334.444 4.476 0 40 EIAB Cc1cc(C)c(-c2csc(NC(=O)CN3CCCCC3)n2)cc1C 12484515 JJOZCSLOGVZCAQ-UHFFFAOYSA-N 343.496 4.160 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1OCC 12755029 UJOVWZQELROTSZ-UHFFFAOYSA-N 349.814 4.485 0 40 EIAB C[C@@H](Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1)C(=O)O 12863146 AMASOMUMKBLQNJ-MRVPVSSYSA-N 328.151 4.033 0 40 EIAB COc1ccc(C)cc1NC(=O)c1csc(-c2ccsc2)n1 12980758 ICKNXPMSQQXFQS-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 13608570 HXDYCAPPCZSTGL-UHFFFAOYSA-N 344.842 4.051 0 40 EIAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13672961 QMMOHIZLNGGURO-AWEZNQCLSA-N 341.451 4.492 0 40 EIAB Cc1cnc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)s1 14084062 NQXGALHVVDIYKK-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB O=C(/C=C/c1ccc(Cl)s1)Nc1ccc2c(c1)OCCCO2 14410645 JMWNHCYASNCPHV-QPJJXVBHSA-N 335.812 4.215 0 40 EIAB CCOc1cccc(CNC(=O)c2cc3ccccc3cc2OC)c1 20049380 YOBWRWFVCRCMOG-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2c(C)cccc2C(C)C)c1 20447904 BKZVVXIJEBNTEO-UHFFFAOYSA-N 327.424 4.317 0 40 EIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)nc2)o1 31633200 FAQQBCVEFMSXMN-MXLWSZSJSA-N 337.423 4.050 0 40 EIAB Cc1nc2cc(NC(=O)CCSCc3csc(C)n3)ccc2o1 32451749 BMLZPPBUIIAXDG-UHFFFAOYSA-N 347.465 4.163 0 40 EIAB Cc1ccccc1OCCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 32759857 FAVCZXNWQYNRGM-UHFFFAOYSA-N 342.826 4.281 0 40 EIAB CC(C)c1nc2ccccc2c2nnc(SCc3ccccn3)n12 35314727 XYTHOGAAWWBLMI-UHFFFAOYSA-N 335.436 4.088 0 40 EIAB Cc1nc2cc(NC(=O)c3cnn(-c4ccccc4C)c3C)ccc2o1 36394508 PRVYIKUOKZRMQG-UHFFFAOYSA-N 346.390 4.191 0 40 EIAB Cc1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 37530373 NGLDSLCGXAOBKG-BZSNNMDCSA-N 333.516 4.010 0 40 EIAB COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)C2)cc1 38566794 WZRBLWJZMWJTQU-CQSZACIVSA-N 330.815 4.370 0 40 EIAB CCOc1ccc([C@H]2CCCN2C(=O)c2cnc3ccccc3n2)cc1 39983297 NJXYEACOEYTPIO-HXUWFJFHSA-N 347.418 4.006 0 40 EIAB CCCCOc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 41155746 RMBLVTAXCHANHN-HNNXBMFYSA-N 325.408 4.293 0 40 EIAB Cc1cccc(CS(=O)(=O)Cc2csc(-c3ccccc3)n2)c1 45286053 DSNURCKCLYCAQQ-UHFFFAOYSA-N 343.473 4.234 0 40 EIAB O=C(/C=C/c1cccs1)Nc1ccc(-c2cn3cccnc3n2)cc1 48205934 ZVWZJSJMJQZHIM-CMDGGOBGSA-N 346.415 4.110 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2ccccc2n1 48365310 RQJKSAXRRCLVRC-UHFFFAOYSA-N 343.386 4.461 0 40 EIAB COc1cc(C)ccc1S(=O)(=O)Nc1cccc(Cl)c1Cl 54363351 BHESRNOKPJBQRA-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB O=C(NCc1cccc2ccccc12)NCC1(c2ccccc2)CC1 63798300 ZZDBNYUQCXLMIE-UHFFFAOYSA-N 330.431 4.371 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C 71843937 SIWFRZQWKUWBDM-CVEARBPZSA-N 345.487 4.282 0 40 EIAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 72218957 OANYZIWHXRFGQH-HXUWFJFHSA-N 349.478 4.358 0 40 EIAB Cc1noc(C)c1[C@H](C)Nc1nccc(Oc2ccc(F)cc2)n1 72946703 YPIRQVVDDOFWHF-JTQLQIEISA-N 328.347 4.186 0 40 EIAB CC(C)(CO)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12 75105666 KODSBYIRQHPEQF-UHFFFAOYSA-N 339.464 4.419 0 40 EIAB CCN(C(=O)N[C@@H](C)c1cc(C)ccc1OC)[C@@H](C)c1cccnc1 75613243 FRHAHMYEOZBSST-HOTGVXAUSA-N 341.455 4.252 0 40 EIAB CC(=O)Nc1nc(CSCc2nc(-c3ccco3)oc2C)cs1 78714535 FIXHEZDGBHRZDC-UHFFFAOYSA-N 349.437 4.091 0 40 EIAB Cc1nccn1-c1ccc([C@H](C)NCc2ccn(C3CCCC3)n2)cc1 90547186 KZIWOMTWDCZWHD-INIZCTEOSA-N 349.482 4.343 0 40 EIAB Cc1sc(Cl)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 96231559 BGNAHIVNJSXUQP-UHFFFAOYSA-N 336.722 4.256 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@H]2O 118914531 FYVKKXPWOJKVKR-KWQGSUNZSA-N 334.500 4.133 0 40 EIAB O=C(CSC1CCCC1)NCc1cncc(-c2ccsc2)c1 218819537 HDPBPWNLDXEAPH-UHFFFAOYSA-N 332.494 4.102 0 40 EIAB CCOc1ccc2nc(S[C@@H]3C(=O)[C@H]4CC[C@@]3(C)C4(C)C)[nH]c2c1 221885953 DMHROJCTYQWEMO-SMNXXWJPSA-N 344.480 4.448 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccccc1 222965507 FVIKACKKCHKLNP-IBGZPJMESA-N 325.452 4.210 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1ccc(C)cc1Cl 225002153 KXNCADOEQVXGQS-UHFFFAOYSA-N 331.843 4.410 0 40 EIAB CC1(C)C[C@@H](NC(=O)Cc2ccccc2Cl)c2ccccc2O1 225439385 WUVYFCSNEPKBBX-MRXNPFEDSA-N 329.827 4.301 0 40 EIAB CO[C@@H](CNC(=O)c1ccccc1SC)c1cc2ccccc2o1 245130880 VCOUWOLXTZPGIP-KRWDZBQOSA-N 341.432 4.272 0 40 EIAB c1cc(Nc2cnccn2)nc(C2CCN(C3CCCCC3)CC2)c1 257235457 GXYRAFMHRQVLNA-UHFFFAOYSA-N 337.471 4.127 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)s3)N21 260786542 YAQCRXBVTJKPFZ-KCXAZCMYSA-N 329.494 4.431 0 40 EIAB CCN(CC)c1cccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c1 408975705 LUOVDCVYQGVGIV-RGEXLXHISA-N 334.419 4.186 0 40 EIAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)c1 409222574 CBGGYFKHERYAKV-CPNJWEJPSA-N 348.446 4.385 0 40 EIAB COCc1ccc(CN[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 559158149 RXHJJJOAWLXHFJ-ZDUSSCGKSA-N 345.393 4.429 0 40 EIAB CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc2ccoc2c1 575603153 JKBQXUZEAVEALN-MRXNPFEDSA-N 338.411 4.408 0 40 EIAB O=C(NCC[C@@H]1CCc2ccccc21)c1cc(F)c2ncccc2c1 1534542819 ITMJJFYKDJEJNW-HNNXBMFYSA-N 334.394 4.224 0 40 EIAB Cc1ccc(NCc2cn(C)nc2-c2cccnc2)cc1N1CCCC1 1615000895 GGBKSCBLVJFTEQ-UHFFFAOYSA-N 347.466 4.003 0 40 EIAB Cc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 271278 KPHDVFMQPVPPDN-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CCN(CC)CCOC(=O)C1[C@@H]2c3ccccc3-c3ccccc3[C@@H]12 1699489 IEEYLWQONYFJSB-WOJBJXKFSA-N 335.447 4.049 0 40 EIAB O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2ccccc2s1 3367702 WRBNULJPRATXJR-AWEZNQCLSA-N 328.462 4.264 0 40 EIAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)O)ccc21 4676091 SJRQMAXWOVWAKF-CYBMUJFWSA-N 338.407 4.254 0 40 EIAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc2c(s1)CCCC2 5307704 ORHKSXOAFIOHNN-UHFFFAOYSA-N 343.448 4.039 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)o2)o1 5824448 YAOSBVLBUJIUDY-UHFFFAOYSA-N 325.364 4.032 0 40 EIAB O=C(Nc1cccc(Cl)c1)O[C@@H]1CCN2Cc3ccccc3N=C12 6252715 JAHDVMFOICOGHL-MRXNPFEDSA-N 341.798 4.207 0 40 EIAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 6577801 POCFCSWCKQCOOT-OAHLLOKOSA-N 349.386 4.186 0 40 EIAB aggregator CC(C)c1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc1 6727378 YEMXBUZCBRKZQE-QGZVFWFLSA-N 341.480 4.288 0 40 EIAB O=S(=O)(Nc1ccc2oc3ccccc3c2c1)c1cccs1 7055998 PEUWNAIZWWQGBR-UHFFFAOYSA-N 329.402 4.448 0 40 EIAB CCCCc1nnc(-c2cc3ccccc3n2Cc2cccnc2)o1 7453101 VIIRTHAQYGHDOY-UHFFFAOYSA-N 332.407 4.477 0 40 EIAB CN(C)C(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 7595597 BOXVQFJHELDMCO-UHFFFAOYSA-N 330.472 4.179 0 40 EIAB COc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1Cl 7849243 AJPLQCVCTOURDW-UHFFFAOYSA-N 328.799 4.250 0 40 EIAB COC(=O)c1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1Cl 8041291 OEYNXTZBBCKSMK-UHFFFAOYSA-N 347.798 4.166 0 40 EIAB Cc1noc(C(C)C)c1C(=O)Nc1nnc(C2CCCCC2)s1 8326158 UMZDSKGKDLGANG-UHFFFAOYSA-N 334.445 4.258 0 40 EIAB COc1ccc(NC(=O)CSCc2ccc(F)cc2Cl)cc1 8850606 XLUHVEREYXVKLS-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 9112110 HELGFGPSSNGGQU-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccccc1)C3 12222210 ROOQPXRRLAZDHS-UHFFFAOYSA-N 348.402 4.191 0 40 EIAB c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)nc1 12555149 YBGRPIVTZVJOEF-QFBILLFUSA-N 333.416 4.385 0 40 EIAB CCOc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12619189 RBWHOPBVXZCPMF-UHFFFAOYSA-N 342.420 4.040 0 40 EIAB Cc1c(C(=O)Nc2ccccc2O)oc2ccc(Br)cc12 12737289 UKULXKRXXDFNIN-UHFFFAOYSA-N 346.180 4.462 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(Cl)cc2)cc1 13613377 VXCNXJRIGCZTRI-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccccc1 13694984 ZDFXYNCHWMILPO-UHFFFAOYSA-N 348.427 4.203 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nccs1 13728796 QFOAQILWHHLOFC-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)CCc2ccco2)c1 14186074 XXPQQNAXVHKQSM-INIZCTEOSA-N 329.440 4.228 0 40 EIAB Cn1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21 16309343 IZRWGYOZUDYUCW-IBGZPJMESA-N 344.418 4.032 0 40 EIAB CCC(=O)N1CCCc2ccc(NC(=O)c3cccc(Cl)c3)cc21 17247847 CUEYDHBAZMKQPZ-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 20001408 UHQUIYGXGXSKAO-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB Cc1ccccc1CSCC(=O)NCCSCc1ccccc1 20237679 PKAKXPJFJWHFKD-UHFFFAOYSA-N 345.533 4.278 0 40 EIAB CN(Cc1nc2ccccc2o1)Cc1ccccc1N1CCCCC1 32806096 MJZZXMYKYQXKQY-UHFFFAOYSA-N 335.451 4.450 0 40 EIAB CSc1ccc(CN(C)Cc2nc(-c3cccc(C)c3)no2)cc1 32913837 VZIISFIPHLSAFM-UHFFFAOYSA-N 339.464 4.399 0 40 EIAB CS(=O)(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 33048501 XUTYXVDJEKSQQM-UHFFFAOYSA-N 331.821 4.002 0 40 EIAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38852418 CBBMOHQBZVOUKQ-IBGZPJMESA-N 344.474 4.044 0 40 EIAB CC[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2C)C1 40103634 NZQYOUUPAWBYSU-LBPRGKRZSA-N 325.250 4.411 0 40 EIAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(C)cs2)c1C 40159255 BBAXZJHGHZIXPX-LBPRGKRZSA-N 338.498 4.052 0 40 EIAB CSc1ccc(CN(C)C(=O)c2ccc(Br)o2)cc1 40159571 QFUMNSKRFWAGQN-UHFFFAOYSA-N 340.242 4.036 0 40 EIAB CC(C)c1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770500 ITEHGZXYACUISK-CYBMUJFWSA-N 326.278 4.341 0 40 EIAB Cc1nc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cs1 48742087 OROLSFQHYCQHHD-UHFFFAOYSA-N 329.400 4.068 0 40 EIAB O=C(OC[C@@H]1CCOC1)c1cc(-c2cccs2)nc2ccccc12 50472895 NDLDPCYECZUVRU-CYBMUJFWSA-N 339.416 4.157 0 40 EIAB Cc1nc(S[C@H](C)c2ccc3ccccc3c2)sc1CC(N)=O 56282391 NQVHLXSKOSRCJC-GFCCVEGCSA-N 342.489 4.486 0 40 EIAB COC(=O)Nc1ccc(OCc2cc(-c3cccs3)on2)cc1 58354941 JGIXSUXISMKFQT-UHFFFAOYSA-N 330.365 4.160 0 40 EIAB CSc1ccccc1C(=O)N(Cc1ccccn1)Cc1ccco1 62018016 ROVWZMIACZSHDP-UHFFFAOYSA-N 338.432 4.239 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc2ncccc12 65620828 CFRJSYGJALDBPD-UHFFFAOYSA-N 331.350 4.483 0 40 EIAB CNc1nc2c(s1)[C@H](c1c(C)sc3ccccc13)CC(=O)N2 66091355 QPTVNJLMIDBPAL-JTQLQIEISA-N 329.450 4.182 0 40 EIAB Cc1cc(NC(=O)c2ccoc2)n(-c2ccccc2C(F)(F)F)n1 73171146 LDVHXEBWCJKVLA-UHFFFAOYSA-N 335.285 4.045 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 89922270 NHKUBOHGHBABCN-ACJLOTCBSA-N 349.434 4.013 0 40 EIAB Cc1ccc([C@H](C)NC2CCN(C(=O)c3ccccc3Cl)CC2)o1 95419408 XZJJRNYRUBSTJE-AWEZNQCLSA-N 346.858 4.197 0 40 EIAB COc1ccc(OC)c(CNc2c(F)cccc2N2CCCC2)c1 95450109 HEEFZMSIKMRUIR-UHFFFAOYSA-N 330.403 4.055 0 40 EIAB CCCn1ccc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21 95956817 DXZDXIKEFJLYKK-UHFFFAOYSA-N 337.379 4.424 0 40 EIAB CSc1ccccc1C(=O)NCC[C@@H](O)c1cc2ccccc2o1 96097232 UMHOAVMTZJKNPM-OAHLLOKOSA-N 341.432 4.008 0 40 EIAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(Cl)c1C 96659454 HPMIQLDJKVZZEO-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB COc1ccccc1-n1nc(C)c(Cc2ccccc2Cl)c1O 100139209 DGUMREMJGBSUDH-UHFFFAOYSA-N 328.799 4.139 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(Br)cc1)C2 100871940 KNYLDGNGWUERDH-SUYBPPKGSA-N 336.273 4.394 0 40 EIAB CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1cnc([C@@H]2CCCO2)s1 101828388 KCMGUOXCSNYFNE-JONQDZQNSA-N 346.496 4.057 0 40 EIAB O=C(Nc1cc(F)ccc1F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102339929 COKNJODZPZTOIS-QQJLWGBUSA-N 325.786 4.481 0 40 EIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCc1ccccc1OC(F)(F)F 102854057 QUGPLYFWGWULSF-BZPMIXESSA-N 327.346 4.028 0 40 EIAB Cc1ccc(-c2n[nH]cc2CNCCc2c[nH]c3cccc(C)c23)o1 103173024 LUYVNRVZBNHWKY-UHFFFAOYSA-N 334.423 4.100 0 40 EIAB C[C@@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1 129454374 ULVCCLGGFDAOJJ-CQSZACIVSA-N 327.378 4.060 0 40 EIAB Cc1csc2c(Sc3nnc(C(F)(F)F)s3)ncnc12 192844576 MZDLPCKGUVINAC-UHFFFAOYSA-N 334.373 4.021 0 40 EIAB O=C(NCCCN1CCCc2ccccc21)Nc1cccc(Cl)c1 222633090 HMOBOYIPRCRMDK-UHFFFAOYSA-N 343.858 4.304 0 40 EIAB CCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1Cl 225152971 JQYPJZSKQJYHFZ-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB CSCC1(CC(=O)N(C)c2nc3cc(Cl)ccc3s2)CC1 593142596 PKLNTNNQDHIGEQ-UHFFFAOYSA-N 340.901 4.446 0 40 EIAB C[C@H](C(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1ccccc1 655269461 LFOBAJUMKQYBPV-INIZCTEOSA-N 345.446 4.140 0 40 EIAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 60388 BAPZHCNOYPQWRC-UHFFFAOYSA-N 347.414 4.474 0 40 EIAB O=C(O[C@H]1CSc2nc3ccccc3n2C1)c1ccccc1Cl 243228 UDVLWKKMRNMTJO-LLVKDONJSA-N 344.823 4.021 0 40 EIAB O=C(Nc1ccc(F)cc1)c1cc(Br)ccc1Cl 260842 AYECESSHVFNZSH-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB COc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OC 310661 PSUPOESUFMUAON-QGZVFWFLSA-N 333.387 4.331 0 40 EIAB CCOc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 547989 VHNJNUIOCKWWAF-UHFFFAOYSA-N 345.406 4.266 0 40 EIAB COC(=O)c1cccc(NC(=O)CCSc2ccc(C)cc2)c1C 555088 ZHDJKZLJGAOMFX-UHFFFAOYSA-N 343.448 4.211 0 40 EIAB COc1ccc(-c2c(C)nc3c(-c4ccsc4)cnn3c2N)cc1 1394950 LSIPSBSVYAELHE-UHFFFAOYSA-N 336.420 4.024 0 40 EIAB CCc1ccc(CN(C)C[C@@H](O)COc2cccc3ccccc23)cc1 2644541 YZFWDYAPPWGHIE-OAQYLSRUSA-N 349.474 4.274 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(Br)c1 2744217 BLPLELQJAAEKGK-ZIAGYGMSSA-N 330.225 4.500 0 40 EIAB CSc1cccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 3430081 UPDYQNVBUIXWCI-UHFFFAOYSA-N 343.448 4.140 0 40 EIAB Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 3549398 VDKFWFGDPASXHN-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB COc1ccc([C@@H](c2ccc(O)cc2)c2ccccc2C(=O)O)cc1 3850591 LRJHOBISVNWYQP-HXUWFJFHSA-N 334.371 4.279 0 40 EIAB biogenic CCOc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 5296182 UCXHAAWCZILIDX-INIZCTEOSA-N 349.430 4.495 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)CCC2 6628324 UPWSDRZOBAOYLP-UHFFFAOYSA-N 345.826 4.163 0 40 EIAB COc1ccc(C)cc1NC(=O)CSCc1cc(C)cc(C)c1 7209034 RIIYIAUVGYJEKV-UHFFFAOYSA-N 329.465 4.492 0 40 EIAB O=C(CSc1ccccn1)N[C@H](c1ccccc1)c1cccs1 8213133 CKNKJQDRGOGYKG-GOSISDBHSA-N 340.473 4.141 0 40 EIAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 8707235 VTNVDHLBSIDCLG-LLVKDONJSA-N 349.217 4.351 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)nc1 12562064 DIRXTHJDRDKNHB-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB O=C(CCCC(=O)c1cccs1)Nc1nc2c(s1)CCCCC2 12758472 QDOFPFJPGADUFC-UHFFFAOYSA-N 348.493 4.465 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 12779492 OMOSVTPCIKDKSI-SFHVURJKSA-N 348.849 4.292 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N=C1O 13879240 GZGZRNVWFMRFIZ-XFFZJAGNSA-N 335.841 4.163 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(C)c2OC)c1 14258470 WJIZRZASHZCSRO-UHFFFAOYSA-N 346.814 4.258 0 40 EIAB COc1ccc(-c2nc(CNC(=O)c3ccc(C)cc3)cs2)cc1 15832628 ROLDRCUFGMAOSS-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2oc1=O 16778176 IVNIEJZMGMKKBV-OAHLLOKOSA-N 339.416 4.004 0 40 EIAB Cc1nccn1CCCC(=O)Nc1cccc(-c2cccc(F)c2)c1 19288123 GFFPXPRFPJSDRZ-UHFFFAOYSA-N 337.398 4.417 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(OC(C)C)c1 20104795 CGGSNNVUBRVXCH-LJQANCHMSA-N 345.414 4.087 0 40 EIAB CCCCNC(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 20582973 SXQYFKKDRMMXSU-UHFFFAOYSA-N 341.242 4.160 0 40 EIAB CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 27340075 CTTSIMXULXNBDA-UHFFFAOYSA-N 336.391 4.203 0 40 EIAB Cc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1Cl 28406051 ZPEPLFZPUGAAQA-UHFFFAOYSA-N 327.819 4.132 0 40 EIAB O=C(Sc1nnc(Cc2ccc(Cl)cc2)o1)c1cccs1 35419925 AHDRPBCGYJDVMD-UHFFFAOYSA-N 336.825 4.308 0 40 EIAB COC(=O)c1c(COCc2cccc3ccccc23)cccc1OC 35973496 KPPFQPHRLCULJD-UHFFFAOYSA-N 336.387 4.352 0 40 EIAB CCO[P@@](C)(=O)[C@H](C(N)=O)c1csc2ccc(Cl)cc12 36377910 VGOZVZRZLDCLIO-HXPMCKFVSA-N 331.761 4.026 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 36561549 WDVQFLMTRBXVNA-CQSZACIVSA-N 347.842 4.211 0 40 EIAB O=C(Nc1ccccc1SC(F)F)[C@H]1CC(c2ccccc2)=NO1 41774998 HTOGKTOLFHHZNV-CQSZACIVSA-N 348.374 4.133 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(OC)cc1 44842775 CCGHNSOMFPPLLZ-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Br 47913114 YWZWYHFIEFPXEN-UHFFFAOYSA-N 348.118 4.193 0 40 EIAB Cc1csc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 48342136 OTFXJRRFQILWHE-IAQYHMDHSA-N 345.468 4.042 0 40 EIAB Cc1c(C)c2ccc(NC(=O)c3cc4ccccc4o3)cc2[nH]c1=O 49472370 DRRMYPXYIPKHIS-UHFFFAOYSA-N 332.359 4.143 0 40 EIAB Cn1ccc(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 53360782 GKLUBHQOGZNGSU-UHFFFAOYSA-N 347.443 4.017 0 40 EIAB CCCCN(C)c1ccc(C(=O)N2CCc3sccc3C2)cc1 58023450 DVGRSDUCZKZVHJ-UHFFFAOYSA-N 328.481 4.183 0 40 EIAB CC(C)[C@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC1 58262702 FQCWLGBKMSDMSW-LBPRGKRZSA-N 331.847 4.379 0 40 EIAB Fc1ccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCCN2)cc1 72202939 FKPVCFKQZVADLM-FQEVSTJZSA-N 330.422 4.109 0 40 EIAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72218956 OANYZIWHXRFGQH-FQEVSTJZSA-N 349.478 4.358 0 40 EIAB Fc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(F)cc2)cc1 79439293 QTUZDQRFYDFJHL-PMACEKPBSA-N 330.422 4.155 0 40 EIAB OC1=Nc2c(cnn2-c2ccc(Cl)cc2)[C@H](C(F)(F)F)SC1 79489128 RHPPKAXEKHCLNX-LLVKDONJSA-N 347.749 4.464 0 40 EIAB COCCn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 79501637 VXWLPQSNGHLGBJ-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB Cc1csc(SCC2CCN(C(=O)c3cccs3)CC2)n1 90608109 LPSCPNMHJCSNSZ-UHFFFAOYSA-N 338.523 4.158 0 40 EIAB Cc1nccn1-c1ccc([C@@H](C)NCc2nc3ccccc3o2)cc1 97081919 UKBNGOMVJXDTCU-CQSZACIVSA-N 332.407 4.173 0 40 EIAB C[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H]1C[C@H]2CC[C@H]1C2 104735534 GVRYMCWOINWJNV-KZDUYQQSSA-N 345.442 4.453 0 40 EIAB C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OC(F)(F)F)cc1 109024948 TUBKTVQKUHUFJP-REJLFOLJSA-N 327.346 4.199 0 40 EIAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 109037715 YYDJJHKWQILILX-UOVPBQLFSA-N 342.483 4.114 0 40 EIAB OC1CCN(Cc2cccc(NCc3cccc(Cl)c3F)c2)CC1 195539394 OPXJNDPNRCVKMU-UHFFFAOYSA-N 348.849 4.048 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)n1cc(C(=O)O)c2ccccc21 216772842 OFPMATKDMFYXEJ-UHFFFAOYSA-N 343.766 4.021 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223250711 SFAVMEZRRUKYNA-MRXNPFEDSA-N 337.463 4.302 0 40 EIAB COc1ccccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225096586 NMZRCPGTIVIDAB-GOSISDBHSA-N 328.408 4.067 0 40 EIAB CO[C@@H](CNC(=O)c1ccccc1Cl)c1cc2ccccc2o1 244998687 KPPDXYBMJBNBEN-KRWDZBQOSA-N 329.783 4.204 0 40 EIAB O=C(O)[C@@H]1CN[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 408979531 RIVJCCRNXUMKCC-QWHCGFSZSA-N 344.219 4.042 0 40 EIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3)nc1-2 409051997 FKLBBBPDRXVIIY-UHFFFAOYSA-N 336.416 4.170 0 40 EIAB CC(C)Cn1c(SCc2cccc(F)c2)nnc1-c1ccncc1 409092865 ZZTQPNIEYLRKFL-UHFFFAOYSA-N 342.443 4.428 0 40 EIAB CC1(C)C[C@@H]2CN(Cc3cncs3)CC[C@@H]2N1c1cccc(F)c1 2037989062 SYMGZGIOGQNMKU-KDOFPFPSSA-N 345.487 4.162 0 40 EIAB CSc1nc(-c2cc3ccccc3oc2=O)cn1-c1ccccc1 67679 LWXSTHJOXGGKST-UHFFFAOYSA-N 334.400 4.368 0 40 EIAB Cc1cccc(-c2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)c1 145971 NSLYOEMTULHMLQ-GFCCVEGCSA-N 334.448 4.439 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OCC 147388 YBXNTMKMPILLBD-UKTHLTGXSA-N 325.408 4.444 0 40 EIAB CSc1nnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s1 364123 BXTGXDLLDKPDDL-NSHDSACASA-N 335.498 4.201 0 40 EIAB C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 1473415 KFETYTDHVXYSQF-DOMZBBRYSA-N 340.250 4.084 0 40 EIAB CCOC(CNCc1cc(C)c2[nH]c3ccccc3c2c1C)OCC 1724135 UYLFNXPBGVPVRB-UHFFFAOYSA-N 340.467 4.427 0 40 EIAB COc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl 2621688 SEPMVOHUULEZHD-UHFFFAOYSA-N 345.704 4.500 0 40 EIAB COc1cccc(NC(=O)[C@H](NCc2ccccc2)c2ccccc2)c1 3369172 ROHSPNCTUSAAIJ-OAQYLSRUSA-N 346.430 4.165 0 40 EIAB COC(=O)c1ccc(COc2ccc(OCc3ccccc3)cc2)o1 3513328 VHEWZHOCXMLUOS-UHFFFAOYSA-N 338.359 4.224 0 40 EIAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1 3525655 BLEOZWZLONYHMM-UHFFFAOYSA-N 345.807 4.350 0 40 EIAB CCCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 3906188 YOMRIEHCCXJHIA-QGZVFWFLSA-N 325.387 4.363 0 40 EIAB O=C(CCc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107394 UAAGRYJYIMQKAI-UHFFFAOYSA-N 347.418 4.187 0 40 EIAB Fc1ccc(Cc2nnc3sc(/C=C/c4ccccc4)nn23)cc1 4667788 ICBDAZDCJKAXEK-DHZHZOJOSA-N 336.395 4.086 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)cc1 5002055 CLCNGQAMGUJMEK-UHFFFAOYSA-N 340.766 4.450 0 40 EIAB CCCCCOc1ccccc1CN1C(=O)C(=O)c2cc(C)ccc21 5152240 NEDWXODTIGZCMY-UHFFFAOYSA-N 337.419 4.294 0 40 EIAB C=C=Cn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 5234775 PWNZKZTUJHCRPY-QGZVFWFLSA-N 343.430 4.429 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)SC(=S)N1CCCC1 5288206 BBRKWMIURDBAER-GFCCVEGCSA-N 332.494 4.161 0 40 EIAB O=S(=O)(Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl 5568072 COBMKOVMMKMINS-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(C(=O)O)cc1 5668032 MKOWFEMGYHWEKT-VXPUYCOJSA-N 338.432 4.476 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 5729378 URVTWQTWQMNXDI-UHFFFAOYSA-N 343.370 4.431 0 40 EIAB Cc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 5814954 MCJZRANEZQOKBE-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C)c1C 6254953 ZBMSWLUICWPTQG-UHFFFAOYSA-N 347.480 4.306 0 40 EIAB Cc1ccsc1C(=O)Nc1c(F)cc(F)cc1Br 6588852 ZJNQRFIXFCJUMJ-UHFFFAOYSA-N 332.169 4.350 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@@H]21 6789429 DAVJIYRGNCDSPN-XHVUQVIVSA-N 335.447 4.376 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(F)c(Cl)c2)c1C 7551696 VVRIPXPZKAOMLE-LLVKDONJSA-N 337.778 4.277 0 40 EIAB COc1ccccc1[C@H](C)Nc1nc2cc(C)nn2c2ccccc12 7777104 BLYZWPBWFYOIJH-AWEZNQCLSA-N 332.407 4.373 0 40 EIAB Cc1cc(C)cc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1 7788345 ATAGHRSPPHUNCB-UHFFFAOYSA-N 326.415 4.046 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1C1CC1 7886251 NHDQHGNSBOVXKQ-AWEZNQCLSA-N 349.253 4.240 0 40 EIAB Fc1ccc(OCc2cc(-c3ccco3)on2)c(Br)c1 8222248 OMFDBERLFDZNNA-UHFFFAOYSA-N 338.132 4.415 0 40 EIAB COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC(C)C 8328190 YTHDSRCKYWKQLL-UHFFFAOYSA-N 339.435 4.471 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C)c1ccccc1 8332828 QJWIYGUTFFRBTJ-CYBMUJFWSA-N 337.448 4.047 0 40 EIAB COCc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 8708994 OZPVFXJDDRLBLE-LBPRGKRZSA-N 337.341 4.343 0 40 EIAB CCc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccn1 8715240 FQKYDRCDMQVWKD-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9063457 GFYKGIOMGXROHO-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB Cc1nn(-c2ccccc2F)c2nc(-c3ccccc3)cc(C(=O)O)c12 12395940 ASWYYFSNPSPNGL-UHFFFAOYSA-N 347.349 4.233 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(C(F)(F)F)c1 12435594 VPALSXRISBWGDF-UHFFFAOYSA-N 348.324 4.306 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1 12523590 QTYGEFZWIUHYPX-AWEZNQCLSA-N 344.842 4.346 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(C(C)(C)C)cc1 13670425 UUPFPEZDQJDPGJ-OAHLLOKOSA-N 331.481 4.165 0 40 EIAB COc1ccc(OC)c(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 14139419 RATUMOQTHCYIQZ-UHFFFAOYSA-N 339.391 4.248 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(F)c1F 14171204 ZOAUYFWNHCTFJD-UHFFFAOYSA-N 349.337 4.183 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14396375 FFTIMSAIFPKBMC-GJZGRUSLSA-N 331.843 4.245 0 40 EIAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C)ccc1Br 20045750 KYRJYPHUNNOTKS-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 20457208 FTNSKSNJPRGIJA-LBPRGKRZSA-N 348.240 4.418 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26295312 GPCQIZSFZDGULR-OCCSQVGLSA-N 332.341 4.088 0 40 EIAB CC(C)(C)C1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 29288788 DIWOJESDIFYVHF-UHFFFAOYSA-N 335.395 4.348 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(-c4ccccc4F)on3)ccc2o1 32830342 TYLBOMLYXKMWKG-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 36775817 VHGCIEFWHYLLLE-DOMZBBRYSA-N 330.453 4.064 0 40 EIAB CCCN(Cc1ccccc1)C(=O)c1cc(Br)cn1CC 37843713 XBRNSBSXFHBDLW-UHFFFAOYSA-N 349.272 4.323 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1 39763254 RWBQDTVHNOOWAO-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1CC=CCC1 40024689 NHPGGINZESDPEI-GFCCVEGCSA-N 326.421 4.040 0 40 EIAB COc1ccccc1OCc1ccc(C(=O)N[C@H](C)CCC(C)C)o1 40128624 ZMWXPNMLTMGDGI-OAHLLOKOSA-N 345.439 4.422 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)cc1OC 40162144 CQIYABKYJOATLD-UHFFFAOYSA-N 339.844 4.081 0 40 EIAB Cc1ccc(-c2csc(SCc3cn4cccnc4n3)n2)cc1 44921986 DAIKSUAYDXBYEY-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 53985504 HWLMSTYKDFSDFJ-LBPRGKRZSA-N 337.379 4.274 0 40 EIAB CCSc1nnc2c(n1)OC1(CCC(C)CC1)Nc1ccccc1-2 54363813 ZESZNRLKPTYYII-UHFFFAOYSA-N 342.468 4.361 0 40 EIAB CCN(C(=O)CN1CCC[C@H]1c1cccs1)c1ccccc1C 58084993 BZMSTNCJNRFLQS-KRWDZBQOSA-N 328.481 4.247 0 40 EIAB O=C(NC1(c2ccccc2)CCC1)C1CCN(Cc2ccccc2)CC1 58357619 XDZKMYNDLLWTJY-UHFFFAOYSA-N 348.490 4.094 0 40 EIAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)no1 66088960 GNCNBQYPZHCQOY-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB CN(CC(=O)Nc1ccc(F)c(Cl)c1)c1nc2ccccc2s1 70640838 NOBQGVUMXDCKKX-UHFFFAOYSA-N 349.818 4.164 0 40 EIAB COCc1c(C(=O)N(C)Cc2cnc(C)s2)sc2ccccc12 71862874 OUNBWHIWSWVXEG-UHFFFAOYSA-N 346.477 4.085 0 40 EIAB O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)C1CCCC1 71909691 OPJMFONEBCYLHX-HSZRJFAPSA-N 333.497 4.397 0 40 EIAB CCCCN1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 84744457 WSRBBJREQPONSK-UHFFFAOYSA-N 348.490 4.252 0 40 EIAB CCOc1ccc(Cl)cc1[C@@H](C)NCCc1nc(C(C)C)no1 89578053 YSNPKYQHVOCKJG-GFCCVEGCSA-N 337.851 4.138 0 40 EIAB Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 95422809 YOQQOGUMPZQHFB-ZIAGYGMSSA-N 338.455 4.067 0 40 EIAB Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccccc1)c1ccncc1 95996667 HIYSAOSTACENSC-HNNXBMFYSA-N 349.434 4.413 0 40 EIAB Cc1nccc(NS(=O)(=O)/C=C/c2ccccc2Cl)c1Cl 96004196 SMRLUCYYHDDAFC-VQHVLOKHSA-N 343.235 4.109 0 40 EIAB NC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(Cl)cc1 96346018 GAEZLCDDVKWFDW-UHFFFAOYSA-N 330.796 4.245 0 40 EIAB CCCCNC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 96409024 GSFCLMRFFNEFHT-QHCPKHFHSA-N 336.501 4.190 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102067637 SQBCHPAUYMODSD-HZVDNRATSA-N 345.398 4.099 0 40 EIAB C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cnc2ccsc2c1 110704145 JYHJNCFERKXGDJ-QEORTHHSSA-N 334.510 4.002 0 40 EIAB COc1ccc2cc(CN(C)Cc3nccn3C(F)F)ccc2c1 194582693 FHGPUFZJNUKBBE-UHFFFAOYSA-N 331.366 4.072 0 40 EIAB CCOc1ccc(-c2nc3ccc(N)cc3o2)cc1Br 216730544 GMONYAXVWOYHRL-UHFFFAOYSA-N 333.185 4.238 0 40 EIAB C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223244762 FHWGFYWXLQGQLU-CYBMUJFWSA-N 329.827 4.085 0 40 EIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223442028 DTDLQMTUEXYXDQ-GOSISDBHSA-N 325.452 4.485 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1F 223907321 HCOORKYUADGFEK-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB COc1ccc(C(=O)N2CCCC2)cc1CSc1ccccc1 224328381 FUIXHQNGCRCWHJ-UHFFFAOYSA-N 327.449 4.224 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COC(C)C 224432656 SJWITPKJYCLOJG-AWEZNQCLSA-N 345.414 4.250 0 40 EIAB COC(=O)c1cc(NC(=S)NC(C(C)C)C(C)C)ccc1Cl 225327591 YFTQKSJUVBWQQU-UHFFFAOYSA-N 342.892 4.094 0 40 EIAB Cc1nc(SCC(=O)Nc2ccccc2Cl)nc2c1CCCC2 409275590 WAUKQAJMKQRLBG-UHFFFAOYSA-N 347.871 4.048 0 40 EIAB CC(C)N1Cc2ccccc2C2(CCN(C(=O)c3ccccc3)CC2)C1 585105743 VWECYMJITOKRJO-UHFFFAOYSA-N 348.490 4.085 0 40 EIAB O=C(NC[C@@H](c1ccsc1)n1cccn1)Nc1ccccc1Cl 618256111 NJVCTCPNJHKSFM-HNNXBMFYSA-N 346.843 4.009 0 40 EIAB CSc1ncccc1C(=O)NC[C@@H](c1ccsc1)c1ccco1 618257311 UTHNPXQTXKAUSQ-AWEZNQCLSA-N 344.461 4.020 0 40 EIAB Cc1ccccc1NC(=O)N[C@@H](c1cccs1)C1CCOCC1 1565523586 RJARJWCHHMQPDY-QGZVFWFLSA-N 330.453 4.346 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccsc1 1775966439 DWKRXYPNHZGBNL-LBPRGKRZSA-N 335.475 4.002 0 40 EIAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCC2 127173 XIHCPWRFXLFNOQ-UHFFFAOYSA-N 328.437 4.146 0 40 EIAB O=C(OCn1cnc(Cl)c1Cl)c1cccc(C(F)(F)F)c1 161142 JZIPRTZKJZPLBH-UHFFFAOYSA-N 339.100 4.023 0 40 EIAB O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 357750 BOYBMRGXYRCGAE-UHFFFAOYSA-N 325.220 4.120 0 40 EIAB CN(C)c1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 386170 ZOHCMFLKKCZWSO-UHFFFAOYSA-N 349.525 4.237 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCC[C@H](C)C1 410751 HCNDCAUYRWKGLM-HNNXBMFYSA-N 342.508 4.456 0 40 EIAB O=C([C@@H]1COc2ccccc2O1)N(c1ccccc1)c1ccccc1 507371 JETAYAQTYKCPDR-FQEVSTJZSA-N 331.371 4.191 0 40 EIAB O=Cc1ccc(-c2ccc(I)cc2Cl)o1 570077 GQBBCYKPPMGSGA-UHFFFAOYSA-N 332.524 4.017 0 40 EIAB Cc1ccc(Cl)c2sc(NC(=O)COc3ccccc3)nc12 2713989 LRTOMNZMNCYEFD-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB COc1cnc(-c2ccccn2)nc1Sc1ccccc1Cl 3128550 CVUFZOYMERKZRC-UHFFFAOYSA-N 329.812 4.352 0 40 EIAB CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 3475121 PZGQXNXONXQYFQ-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 4283751 LWKFXDGNAOHLFX-UHFFFAOYSA-N 345.826 4.485 0 40 EIAB CC(=O)Nc1nnc(-c2ccccc2SCc2ccccc2)s1 4616597 BIIOFSLBTLTXQS-UHFFFAOYSA-N 341.461 4.456 0 40 EIAB CCOc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1 4678673 CLSQJAPGWYQBOQ-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(C)cc1 4910172 YYCRUPCYBNSOSQ-SFHVURJKSA-N 337.448 4.402 0 40 EIAB CC12CC3(C)CC(C)(C1)CC(C(=O)NC(=S)NC(C)(C)C)(C2)C3 4980471 FWZUWJDNCPRULB-UHFFFAOYSA-N 336.545 4.162 0 40 EIAB Cc1csc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1 5101551 MUQFAYSPHMVKIF-IUODEOHRSA-N 332.494 4.126 0 40 EIAB CCOc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 5169674 VEGPSRIKSOKVIS-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB COc1ccccc1COc1ccccc1C(=O)NCc1ccccc1 6462530 SEIDNEMOCVVVNE-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB Cc1ccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)cc1 6715323 FMLDOJPUUUKXDH-UHFFFAOYSA-N 333.439 4.242 0 40 EIAB O=c1c(SCc2ccccc2Cl)nccn1-c1ccccc1 6915149 HECHOSNWXHMZSF-UHFFFAOYSA-N 328.824 4.178 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(F)cccc2s1 7598928 OHINSUVDGFQDHS-UHFFFAOYSA-N 329.352 4.064 0 40 EIAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OCC)c2)cc1 7639449 YXERODVZVVZBEY-NTUHNPAUSA-N 341.407 4.145 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3ccccc3)n2)c(OC)c1 9762746 SIHYXPGRGHVWKC-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB O=C(CCc1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1 10427478 DCEMMDCMIIFVCK-UHFFFAOYSA-N 331.375 4.190 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12 11614023 BUGGNJBSARBKHF-UHFFFAOYSA-N 349.496 4.486 0 40 EIAB CC[C@H](Nc1ccc2oc(C)nc2c1)C(=O)Nc1ccc(F)cc1 12521781 ZVXZOAFIKSIUOP-HNNXBMFYSA-N 327.359 4.105 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C(=O)Nc2ccccc21 12562552 JSGLRNRIHMRPBC-WJDWOHSUSA-N 335.794 4.327 0 40 EIAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)n1 12851295 WHLYAJNUXUKCMS-ZDUSSCGKSA-N 337.448 4.313 0 40 EIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2C)cc1 12929932 XHSVTXICHWNSFN-FQEVSTJZSA-N 338.451 4.088 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1ccc(OCc2cscn2)cc1 12992032 XMRXAHOWRNWGTG-UHFFFAOYSA-N 346.358 4.253 0 40 EIAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(Cl)cc2)n1 13495361 IRPYFXYTNNYLFI-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB Fc1ccc2[nH]cc(CCNC(=S)Nc3ccccc3Cl)c2c1 17072319 HCWAQCBOGGWHGN-UHFFFAOYSA-N 347.846 4.490 0 40 EIAB COc1ccc(/C=C(\C)c2nc(C)c(-c3ccccc3)c(=O)[nH]2)cc1 18153844 CXISIZFSMMGDQS-BUHFOSPRSA-N 332.403 4.314 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccccc1 18214441 KKLQWMZYIRINSP-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB CC(=O)CCOc1n[nH]c2nc(-c3ccccc3)cc(C(F)(F)F)c12 20161643 UTHDHGMZXWEMQF-UHFFFAOYSA-N 349.312 4.002 0 40 EIAB O=C1O[C@](c2nc3ccccc3s2)(C(F)(F)F)Cc2ccccc21 24927252 XZPBYLQNTCBVKC-MRXNPFEDSA-N 349.333 4.467 0 40 EIAB CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 25108803 XXIMWENLELUUKN-STTHAQSSSA-N 339.435 4.327 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2O1 25623399 PIHYXGFZZJJXRG-RBBKRZOGSA-N 343.426 4.090 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)C1=NCCS1 26441793 WWWMCLIVIHAJBE-UHFFFAOYSA-N 345.855 4.477 0 40 EIAB CC(C)[C@@H](NC(=O)c1ccccc1OC(F)F)c1cccs1 26802654 TYLXIVXETJYAKB-CQSZACIVSA-N 325.380 4.477 0 40 EIAB CSCc1nc2ccccc2n1CC(=O)NC1CCCCCCC1 29490593 MHDPNLYROOJAGA-UHFFFAOYSA-N 345.512 4.128 0 40 EIAB COc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c2ccccc12 32760775 JUIFNKIPMGXLMK-UHFFFAOYSA-N 341.357 4.399 0 40 EIAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2C)cc1F 32863041 XOACXZWKKHTHDP-ZIAGYGMSSA-N 330.403 4.264 0 40 EIAB O=C(/C=C/c1ccccc1)N(CCc1ccncc1)c1ccccc1 35671321 HPXITQUMXMYAMH-VAWYXSNFSA-N 328.415 4.371 0 40 EIAB CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C3CC3)nc21 36617080 HQCOHQUQUVFOFJ-SSDOTTSWSA-N 343.374 4.321 0 40 EIAB COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC(C)C 36697909 NCQAMHWHDPDFPX-AWEZNQCLSA-N 325.408 4.074 0 40 EIAB COc1cc(CN[C@@H](c2ccccc2)C(C)C)cc(OC)c1OC 39985616 DXISTWNMQMYDLA-LJQANCHMSA-N 329.440 4.199 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1csc(-c2ccco2)n1 40052507 DDRSYECKXRDTMG-UHFFFAOYSA-N 348.387 4.112 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)c1cc(-c2ccccc2)on1 41971392 CWSCPJQUYILBKW-UHFFFAOYSA-N 347.418 4.190 0 40 EIAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1nc(C(C)(C)C)no1 48325778 DOFJQTWGBOQLIX-SNVBAGLBSA-N 329.429 4.006 0 40 EIAB CCc1ccc2c(CSc3nnc(C(C)(C)C)o3)cc(=O)oc2c1 48367680 LKPSIBULRPEMCE-UHFFFAOYSA-N 344.436 4.328 0 40 EIAB COC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 51354217 DMIMIXQNQLDRHM-UHFFFAOYSA-N 338.285 4.136 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(N3CCCC3)s2)cc1C 52911708 DIMXMADTQAAXQV-CYBMUJFWSA-N 347.509 4.119 0 40 EIAB CC(C)(C)[C@@H](NCC(=O)N1CCc2ccccc2C1)c1cccs1 54417197 DSAITJXZUGWSEM-IBGZPJMESA-N 342.508 4.010 0 40 EIAB Cc1sc(CNC(=O)c2ccco2)nc1-c1ccc(Cl)cc1 55426730 CDEFDEROUYJRKD-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB CCOC(=O)c1cccc(Nc2ccnc3c(F)ccc(F)c23)c1 64874884 UBSKNLQILAWKOF-UHFFFAOYSA-N 328.318 4.433 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)n1C1CC1 65158303 MHTSKQNGGUIAQA-UHFFFAOYSA-N 348.406 4.274 0 40 EIAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1csc(-c2ncccn2)n1 69593681 YKXOGASWMZVUFR-NSHDSACASA-N 346.406 4.071 0 40 EIAB COc1ccc2[nH]cc(C3CCN(Cc4nc(C)c(C)o4)CC3)c2c1 71824854 SRPXKDRJGPYQCJ-UHFFFAOYSA-N 339.439 4.161 0 40 EIAB CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nccs2)cc1 71879728 VHNVUBVNUPAOAF-CHWSQXEVSA-N 333.457 4.052 0 40 EIAB COc1cc(OC)c2nc(C)cc(Nc3ccccc3C(=O)O)c2c1 78401729 XKPZCZUXEOEGPR-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB CSCC[C@@H](N[C@H](C)c1cccc(C)c1)c1nnc2ccccn12 95419562 KVQVFBJSCAZXGB-NVXWUHKLSA-N 340.496 4.183 0 40 EIAB c1ccc(OCc2nnc(SC3CCC3)n2-c2ccccc2)cc1 95593594 XIFGJTSEVUPRCB-UHFFFAOYSA-N 337.448 4.491 0 40 EIAB Cc1noc(C)c1N(C)C(=O)Nc1c(Cl)cc(C)c2ncccc12 95965909 ZIZPNYCAYHQHDW-UHFFFAOYSA-N 344.802 4.470 0 40 EIAB Cc1ccc(NC(=O)N(Cc2ccco2)C2CCOCC2)cc1C 96025028 UUAKCDKOCGSZQK-UHFFFAOYSA-N 328.412 4.110 0 40 EIAB CCc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(F)cc2)C(=S)N1 101170038 KMAMYELVICOFMI-APWZRJJASA-N 342.439 4.323 0 40 EIAB CCCCCCC/C=C/C(=O)N1C(O)=C(C(C)=O)C(=O)[C@@H]1CC(C)C 114285052 QHXAUDQIMHYILR-PCUGXKRQSA-N 349.471 4.088 0 40 EIAB biogenic Cc1ccc(CCC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)o1 195553389 KRNQOKILKJTWHY-KRWDZBQOSA-N 329.444 4.004 0 40 EIAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 224084122 YKTAZHWZKKXPTL-CYBMUJFWSA-N 337.872 4.083 0 40 EIAB O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccoc1C1CC1 225589656 MFWNTSDDZXLJTF-LSDHHAIUSA-N 333.334 4.044 0 40 EIAB Cc1nccc([C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1 257280431 OKVBOXXQZKSCKU-HNNXBMFYSA-N 337.448 4.020 0 40 EIAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cccc3ncccc23)ccn1 257315540 VBWPWDANWNKEJT-SFHVURJKSA-N 345.446 4.176 0 40 EIAB CC(C)Cn1c(SCc2ccccc2F)nnc1-c1ccncc1 409097527 OAPZZADQOGTMHH-UHFFFAOYSA-N 342.443 4.428 0 40 EIAB Cc1nc2cccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)c2[nH]1 555078563 OHWMVXAWIFKTOG-UHFFFAOYSA-N 349.409 4.483 0 40 EIAB O=C(NC[C@H](c1ccsc1)n1cccn1)Nc1ccccc1Cl 618256112 NJVCTCPNJHKSFM-OAHLLOKOSA-N 346.843 4.009 0 40 EIAB CCOC(=O)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1 145888 SYDVUJBKMSUPLY-UHFFFAOYSA-N 327.771 4.204 0 40 EIAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)Sc1ccccc1 217606 ZLXPZPKHJBFPMB-UHFFFAOYSA-N 341.310 4.176 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)c(C)c1 253020 KHOIELQSQBSSKI-UHFFFAOYSA-N 337.375 4.479 0 40 EIAB CCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1 367874 DGFXEXFBTDKGCO-UHFFFAOYSA-N 341.407 4.090 0 40 EIAB Cc1cc(C)c2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2c1 412208 ONWWOCDFMKPMAX-UHFFFAOYSA-N 339.464 4.275 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 570296 ZMGDNKDVMKVHSB-UHFFFAOYSA-N 340.423 4.321 0 40 EIAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2CC(C)C 1369536 HVOIUCZOOPEFEE-ROUUACIJSA-N 345.556 4.323 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 2224495 YGXQXSVSEZMJSI-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB COc1cccc(NC(=O)[C@@H](NCc2ccccc2)c2ccccc2)c1 3369175 ROHSPNCTUSAAIJ-NRFANRHFSA-N 346.430 4.165 0 40 EIAB Cc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1 4326789 JSLXGGFSUSUMKF-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1C 5400693 CHYYVTIFHMYUFT-ZDUSSCGKSA-N 341.480 4.471 0 40 EIAB Cc1cccc(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 5589543 TUGZLHCTDXKRAR-LFIBNONCSA-N 340.473 4.266 0 40 EIAB O=C(CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCCC2 6178478 UPLNUEDPSKDVSS-UHFFFAOYSA-N 349.459 4.326 0 40 EIAB CC(=O)c1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)nc1C 6551172 YIXHKHAQVCEBQB-UHFFFAOYSA-N 343.330 4.317 0 40 EIAB COc1ccc(-n2cnnc2SCc2cccc(Cl)c2)cc1 6622249 WJFWSBJLRRTPFB-UHFFFAOYSA-N 331.828 4.222 0 40 EIAB CSc1nc(N2CCCCC2)c2sc3c(c2n1)COC(C)(C)C3 6662028 UVMHWSALFUSVEW-UHFFFAOYSA-N 349.525 4.255 0 40 EIAB CCC(C)(C)NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 6787941 NVJNYZHUJDGFIJ-UHFFFAOYSA-N 327.424 4.193 0 40 EIAB CSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)c(C)c2)n1 6810432 MFBUBIXQVINUFH-UHFFFAOYSA-N 329.208 4.033 0 40 EIAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCO3)s1 7069193 MLECNHZDCYQRHZ-UHFFFAOYSA-N 338.388 4.100 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)OCc1cc(-c2ccco2)on1 7319230 YQPKZPPJMPZWPD-UHFFFAOYSA-N 336.347 4.092 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1F 7344457 HRZALHNCZAHDDF-UHFFFAOYSA-N 349.818 4.395 0 40 EIAB CCCCNC(=S)N1CCC[C@H](c2nc3ccccc3s2)C1 7581562 FOXVGAWVAJKFEM-ZDUSSCGKSA-N 333.526 4.150 0 40 EIAB Cc1nc(COc2ccc(C(=O)Nc3cccc(F)c3)cc2)cs1 7940319 YXEPLMLUXPHHHS-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CSc1nc(Nc2ccc(C(=O)O)cc2)cc(-c2ccccc2)n1 7996585 TYFZSRYEMMZMMS-UHFFFAOYSA-N 337.404 4.307 0 40 EIAB CCCc1cc(=O)oc2cc(OCc3nc4ccccc4o3)ccc12 8222103 HJSNJNQACNAZLW-UHFFFAOYSA-N 335.359 4.466 0 40 EIAB COc1cccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)c1 8331667 YJCNUFHJOPYUKH-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1cc(C)ccc1C)C2 8677179 INQLBNYVUUSPRY-AYHJJNSGSA-N 345.556 4.385 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)c1nc(Cl)ccc1Cl 8703909 IQUKNUOIPYQMPX-UHFFFAOYSA-N 329.614 4.314 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)s1 8793750 YVGKJNWDZAPTNS-UHFFFAOYSA-N 347.802 4.179 0 40 EIAB O=C(CCc1nc2ccccc2o1)N1CC=C(c2ccccc2)CC1 9256505 YAXNOQHYCDHTIF-UHFFFAOYSA-N 332.403 4.076 0 40 EIAB Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)nc1 9338931 YVIXKDCICZIHRH-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 9690451 FTISNOKFZZPBLF-LURJTMIESA-N 331.174 4.228 0 40 EIAB Cc1cc(-c2cnc(N[C@@H](C)c3ccccn3)nc2-c2ccco2)on1 12089360 XOCVJEIERDGZFR-ZDUSSCGKSA-N 347.378 4.268 0 40 EIAB Cc1noc(-c2cnc(NCc3cccnc3)nc2-c2ccco2)c1C 12089707 OZHKFYVDISIQKI-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB Clc1ccc(-c2nnc3ccc(SCc4ccco4)nn23)cc1 12321158 VQQVYRIPRLRPBG-UHFFFAOYSA-N 342.811 4.330 0 40 EIAB O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c[nH]c2ccccc12 12360151 KWVDTPFQUMWORN-UHFFFAOYSA-N 333.174 4.296 0 40 EIAB O=c1c2sc3c(c2ncn1Cc1ccccc1Cl)CCCC3 12408982 OJHGIUVAGXWTFA-UHFFFAOYSA-N 330.840 4.039 0 40 EIAB C[C@H](NC(=O)NCc1ccccc1)c1ccccc1Br 12765215 UDAANFJYWFAHJE-LBPRGKRZSA-N 333.229 4.010 0 40 EIAB Cn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 12930375 ZQRGLHYTQUPWGL-UHFFFAOYSA-N 327.771 4.118 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709538 SIKOVHNKBTZQBZ-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 14291448 QKLNWXYOKDNLFK-UHFFFAOYSA-N 349.761 4.301 0 40 EIAB COc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1OC 20110936 IUYIYPWLKNDXTP-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccccc1 20457552 UKLDNYLYEPMYOJ-OALUTQOASA-N 327.424 4.120 0 40 EIAB CCc1nc2ccc(NC(=O)COc3ccc(F)cc3)cc2s1 22255008 PENJOIHKWKOGDD-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB Cc1cccc(-n2ncc(C(=O)N[C@@H](C)c3ccccc3C)c2C)c1 24830527 KYJISGKCGHCZHB-INIZCTEOSA-N 333.435 4.289 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCc2ccccc21 27823788 VXPLWYHBGUYAHX-UHFFFAOYSA-N 342.247 4.053 0 40 EIAB CCCNC(=O)[C@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 31423794 NKNHLDUTKILOOP-NSHDSACASA-N 338.860 4.143 0 40 EIAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccoc1C 32647655 GNZVIYVNNBXGQG-UHFFFAOYSA-N 343.814 4.355 0 40 EIAB Cc1cc(C)cc(-n2ncc3c(NCc4ccc(F)cc4)ncnc32)c1 35681873 IXMWQFRGMRHYLE-UHFFFAOYSA-N 347.397 4.184 0 40 EIAB Cc1ccccc1C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106710 FJWLPTIUHYVWFQ-UHFFFAOYSA-N 344.414 4.177 0 40 EIAB C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1nc2ccccc2[nH]1 46322316 XFFCYCZGLKQUBU-SNVBAGLBSA-N 338.798 4.189 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1cccnc1 53674458 ZDVLINNFWTYMND-FQEVSTJZSA-N 328.371 4.347 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 58231029 CANUIGALHIAZRZ-QAPCUYQASA-N 337.467 4.144 0 40 EIAB C[C@H]1CCN(C(=O)CSc2ccc(O)cc2)c2ccccc2S1 64037628 VCBYFPATSMDXLO-ZDUSSCGKSA-N 345.489 4.402 0 40 EIAB CC(C)(C)OCCSc1nnc(Cc2c(F)cccc2Cl)o1 66257546 DEIQIWYSCYEXSO-UHFFFAOYSA-N 344.839 4.360 0 40 EIAB CC(=O)Nc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 67667685 QZQGFTPZEUTJAQ-UHFFFAOYSA-N 340.320 4.093 0 40 EIAB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 69618714 AGCMKVLCNNBBLY-SFHVURJKSA-N 349.438 4.272 0 40 EIAB CCOCc1ccccc1NC(=O)NCCc1csc(C(C)C)n1 69629068 BWHLTWZBTUQEKC-UHFFFAOYSA-N 347.484 4.167 0 40 EIAB CO[C@H](CNC(=O)N[C@H](CC(C)C)c1ccccc1)c1ccccc1 71923388 RTKMDGYGUVLYRC-WOJBJXKFSA-N 340.467 4.461 0 40 EIAB CCCCO[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C 72311069 LDNZDFORIZAXHW-DLBZAZTESA-N 343.471 4.152 0 40 EIAB Cc1cccc(-c2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 72349951 BQBMDYBDYWURBZ-FQEVSTJZSA-N 346.478 4.170 0 40 EIAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CC(C)C)C3)nc2)n1 72353255 JBKGVHFPTWIZPZ-KRWDZBQOSA-N 339.487 4.067 0 40 EIAB Cc1cc(C)c(-c2cc(NC(=O)c3ccncc3Cl)[nH]n2)cc1C 72701050 AXKUTAYZUCIAKI-UHFFFAOYSA-N 340.814 4.303 0 40 EIAB c1ccc([C@H](NCc2cccc3c2OCCCO3)c2cccnc2)cc1 95349668 HHNMXEMGZODEIK-NRFANRHFSA-N 346.430 4.122 0 40 EIAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCC[C@@H]2c2cccs2)cc1 95351115 LQHAXQKJRFKEHW-SUMWQHHRSA-N 342.464 4.115 0 40 EIAB C[C@H]1CN(C(=O)c2ccnc(Oc3ccccc3)c2)c2ccccc2O1 95957300 ZHVJZBMRTREFEN-HNNXBMFYSA-N 346.386 4.302 0 40 EIAB CC[C@H](C(=O)NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 96097219 OLXIKQTVKQHBEZ-ZWKOTPCHSA-N 337.419 4.166 0 40 EIAB CC(=O)c1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 96137090 VAEJIDWNBBLCRK-MDZDMXLPSA-N 343.448 4.227 0 40 EIAB Clc1ccc(-c2csc(CN[C@H]3CCN4CCC[C@@H]4C3)n2)cc1 96484320 FKLACJKOWPDBLI-JKSUJKDBSA-N 347.915 4.180 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccccc1 107493429 XNAKAHJORJMFIG-SVFBPWRDSA-N 328.415 4.091 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)cc1C 113960023 YXVIDVWYGMWUST-CRAIPNDOSA-N 329.415 4.477 0 40 EIAB CCC(CC)Nc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 199799454 OUEBYFLXLWLAPS-UHFFFAOYSA-N 327.766 4.147 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1OC 216310117 MFHLXRVRYQUEPO-QGZVFWFLSA-N 347.842 4.165 0 40 EIAB O=C(c1cc(C2CC2)on1)N1CCS[C@H](c2ccccc2F)CC1 219114227 SDHIZOVEDJRSOC-KRWDZBQOSA-N 346.427 4.012 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1cccc(C)c1 219575157 VTKSDSMKEBKQPG-SFHVURJKSA-N 329.415 4.041 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223227055 LHMOXMYAXNLBIG-IAGOWNOFSA-N 337.463 4.437 0 40 EIAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccc(C)c(C)c1 224293144 DHLBLNVGGJTMFS-UHFFFAOYSA-N 339.435 4.127 0 40 EIAB CNC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480256 YYIIKOUDUMMYFL-UHFFFAOYSA-N 333.391 4.164 0 40 EIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc2ccccc12 225597810 HBWDJTIPRBSGIK-HNNXBMFYSA-N 331.415 4.136 0 40 EIAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498603 WGYHVQYXJNPQAA-GFYMANACSA-N 332.484 4.099 0 40 EIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21)c1ccccc1 409373549 XGMRNXHSJXPZND-UKAVVXHISA-N 341.410 4.082 0 40 EIAB CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)o1 575610182 LQEUGDXYNBHZGT-UHFFFAOYSA-N 326.352 4.260 0 40 EIAB CCC(CC)n1ncc(C(=O)Nc2cccc3oc(C)nc23)c1C 585087560 KQGUMDDSNCKSJV-UHFFFAOYSA-N 326.400 4.255 0 40 EIAB Cc1cc(OCC2(O)CCN(C3CCCC3)CC2)cc(C)c1Cl 585281972 VYQMRAFZNJLZKI-UHFFFAOYSA-N 337.891 4.105 0 40 EIAB CN(Cc1cc(O)ccc1Cl)c1ccc(C(=O)NC(C)(C)C)cc1 1643453847 MNXRDTCYYWLFSS-UHFFFAOYSA-N 346.858 4.210 0 40 EIAB CCc1nc2ccccc2c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c1C 104391 NHHBLYXTJNNTMJ-GJZGRUSLSA-N 339.483 4.022 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 570282 CQFYTEPRMYFPRB-UHFFFAOYSA-N 348.855 4.419 0 40 EIAB O=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)c(Cl)c1 1403177 KHSXMAFXDHVKQG-UHFFFAOYSA-N 345.189 4.098 0 40 EIAB Cc1ccccc1SC[C@H]1CSc2nc3ccccc3c(=O)n21 1405447 NXFKUKHWQRXXPF-ZDUSSCGKSA-N 340.473 4.144 0 40 EIAB Cc1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1Br 2624590 DXNBLRWXGJNPNZ-UHFFFAOYSA-N 343.224 4.420 0 40 EIAB O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Oc2ccccc21 2652823 HLUJMXZBXPSGAN-NRFANRHFSA-N 331.371 4.087 0 40 EIAB FC(F)(F)c1nc2ccccc2n2c(/C=C/c3ccccc3)nnc12 4053031 WVMCQDGCEIFSAW-ZHACJKMWSA-N 340.308 4.467 0 40 EIAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1 4309299 HLUPYAKKSXUGSB-UHFFFAOYSA-N 333.347 4.199 0 40 EIAB O=C(OCc1coc(-c2cccs2)n1)c1cc2c(s1)CCC2 4581417 UTCUYIKTXIXFTR-UHFFFAOYSA-N 331.418 4.310 0 40 EIAB CN(C)c1ccc(-c2nc3ncccn3c2Nc2ccccc2)cc1 4735154 OAPCGKGENUZPCP-UHFFFAOYSA-N 329.407 4.206 0 40 EIAB CCc1ccc2c(COC(=O)c3cc4ccccc4[nH]3)cc(=O)oc2c1 5531025 NQZLDWWWXRPNGZ-UHFFFAOYSA-N 347.370 4.194 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)c1 6287248 QQJDKXDTEKMLQF-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H]2CCCc3ccccc32)c1C 7546172 RJVYRMJVTMHWHI-RDTXWAMCSA-N 338.451 4.073 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](C)c2ccccc2)c1 7794353 QSXHXECNHKAOEQ-QGZVFWFLSA-N 325.452 4.417 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 8428968 CEUURHYTKJLZBF-UHFFFAOYSA-N 347.798 4.152 0 40 EIAB O=C(Nc1nnc(-c2ccco2)s1)c1ccc(Cl)c(Cl)c1 9109523 IDZCPVPOHLSPRH-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB Cc1ccccc1-n1nnnc1SCc1ccc(F)cc1Cl 9257667 RLAXSMYHNHBYJJ-UHFFFAOYSA-N 334.807 4.056 0 40 EIAB Cc1csc(N(C(=O)Cc2cccc(F)c2)c2ccccc2)n1 10213166 VSHRDXIIIVETJL-UHFFFAOYSA-N 326.396 4.498 0 40 EIAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCc2ccccc2C1 12389445 ZHKQJIYAIZINHH-GOSISDBHSA-N 340.810 4.005 0 40 EIAB Cc1nc(COc2ccc(C(=O)N(C)c3ccccc3)cc2)cs1 12901924 JNAADTFMXQLMRX-UHFFFAOYSA-N 338.432 4.307 0 40 EIAB CCOc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 12906146 TXMULGFVWLCDFM-CQSZACIVSA-N 339.391 4.088 0 40 EIAB CC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(C)cc1 12909464 SKIZQXBXFZWIBA-SFHVURJKSA-N 336.439 4.202 0 40 EIAB Cc1c(C(=O)Nc2nnc(C3CC3)s2)oc2c(Cl)cccc12 13008397 AKMYPJMMCOFAHJ-UHFFFAOYSA-N 333.800 4.376 0 40 EIAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 13671404 XDKPGLHVLQTJFL-XMHGGMMESA-N 347.370 4.246 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 14095665 KEOMQIXZUJUNRS-MRXNPFEDSA-N 333.435 4.194 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)c1 17450658 NZJVEHJJVPQCPL-CQSZACIVSA-N 342.464 4.122 0 40 EIAB O=C(CCSc1ccccc1)Nc1nnc(-c2ccccc2)s1 18702540 XNYCWVUHRHZFIN-UHFFFAOYSA-N 341.461 4.326 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1C 20454916 XPLFTEQDJWSNAU-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB CCOc1c(Cl)cc(CNCCc2ccc(F)cc2)cc1OC 22074640 UCIVWFNIIRCFEA-UHFFFAOYSA-N 337.822 4.219 0 40 EIAB CC[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 24971605 HOBCGDGBMOYCMS-HNNXBMFYSA-N 347.459 4.099 0 40 EIAB O=C(CSCc1csc(-c2ccco2)n1)NC1CCCCC1 31420498 FEIHOOWRZPIHJM-UHFFFAOYSA-N 336.482 4.085 0 40 EIAB C[C@@H](NC(=O)Cc1cn2ccccc2n1)c1ccc(Cl)cc1Cl 32083211 WFHYWIGHASDZEQ-LLVKDONJSA-N 348.233 4.061 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2C)c(OC)c1 32820698 IVALCJLQNGVQGS-IBGZPJMESA-N 339.435 4.298 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)Cc2ccccc2Cl)CC1 32876333 ANEDFQFYXKGIRU-UHFFFAOYSA-N 341.838 4.004 0 40 EIAB Nc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1 35048565 YZAJYGCOUNWNGD-UHFFFAOYSA-N 328.375 4.064 0 40 EIAB O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2F)CC1 35312229 DHGPWBZCSPVORX-UHFFFAOYSA-N 344.361 4.092 0 40 EIAB Cc1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)nc1 36391010 MRTUCDKCWPJQKH-UHFFFAOYSA-N 341.411 4.137 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccs1 40067805 RTDQVLIIQLTBQN-ZDUSSCGKSA-N 328.437 4.439 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CCc3ccccc3Cl)c2)n[nH]1 40152543 SWFWZEXREORDEB-UHFFFAOYSA-N 340.814 4.005 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)NCCOc1cccc2ccccc12 40866194 AWOCLGLGRARHQB-JLHYYAGUSA-N 335.378 4.187 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1F 44194851 VOAXMCHLSUPFPW-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB O=C1CCCc2cc(-c3csc(N4CCCCC4)n3)ccc2N1 48374299 CHJRKGAXEVNDCW-UHFFFAOYSA-N 327.453 4.075 0 40 EIAB O=C(/C=C/c1ccccn1)Nc1ccc(-n2cnc3ccccc32)cc1 55036516 RINQOEXIHNNPSN-JLHYYAGUSA-N 340.386 4.072 0 40 EIAB FC(F)c1cccc(NCc2nc(-c3ccc4c(c3)OCO4)no2)c1 58356666 YGKUXJXXLQRGEC-UHFFFAOYSA-N 345.305 4.015 0 40 EIAB COCCCCN(Cc1ccccc1)C(=O)Nc1c(F)cccc1F 62246759 OCGNFEIDDSGWSM-UHFFFAOYSA-N 348.393 4.426 0 40 EIAB COCCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CCCC1 65817577 GBTDAESPCRBVLN-UHFFFAOYSA-N 340.467 4.078 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 69131743 KBLDCFVVGSNQEM-UHFFFAOYSA-N 327.427 4.481 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71326130 TZNXYZUWBMTSJD-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB C[C@@H](c1cccnc1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 71909747 FSLSJLAWDQOZJI-AWEZNQCLSA-N 344.842 4.308 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1c1cccnc1 71911038 IKHKYSYHGCEIMI-KGLIPLIRSA-N 330.815 4.264 0 40 EIAB Cc1cc(NCc2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223365 LBNSSWAJSPPFHC-UHFFFAOYSA-N 327.428 4.027 0 40 EIAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 72292895 PKACCFLIOCAQCS-KSSFIOAISA-N 339.414 4.236 0 40 EIAB C[C@H](C(=O)Nc1cccc(Oc2ncccn2)c1)c1ccsc1 78063471 YYVJPDGMOFHXAS-LBPRGKRZSA-N 325.393 4.073 0 40 EIAB c1ccc(CN[C@@H]2CCCN(CCCc3nc4ccccc4o3)C2)cc1 84539311 CORMOUVZLRXHEH-LJQANCHMSA-N 349.478 4.015 0 40 EIAB c1ccc(-c2cccc(CNCc3ccc4c(c3)OCCO4)c2)cc1 84562771 JMAJEOIRNOWSDT-UHFFFAOYSA-N 331.415 4.415 0 40 EIAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc(OC(C)C)c2)S1 85412205 NPKPWHXPKLHLEM-INIZCTEOSA-N 345.468 4.431 0 40 EIAB CN(C(=O)Cc1cccnc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 89310253 LBJVBKPUZJKWKL-HNNXBMFYSA-N 342.748 4.040 0 40 EIAB CN(Cc1cnccn1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 92590797 ZGWIAMRENUGYFD-UHFFFAOYSA-N 347.340 4.387 0 40 EIAB CCO[C@H](C)c1nc(CSc2nccn2C(C)(C)C)cs1 95399132 JWSHFMHAVMCQMK-LLVKDONJSA-N 325.503 4.484 0 40 EIAB Cc1ccc(C[S@@](=O)Cc2csc(-c3ccccn3)n2)cc1C 95412200 ORNBBDZRSZUNAT-QHCPKHFHSA-N 342.489 4.271 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2ccccc2)c(O)c1 143840834 PLJWDHALGQHHLA-UHFFFAOYSA-N 343.379 4.096 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 195528603 ZVUILHDCYIJURD-SUHUHFCYSA-N 332.341 4.307 0 40 EIAB CCOc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1 222635621 ADRNZSSCXPRZNX-UHFFFAOYSA-N 332.831 4.493 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc2ccccc12 222871530 LTHXEOCFPSJJJW-INIZCTEOSA-N 333.431 4.486 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)CSc2ccc(Cl)cc2)c1 223978046 IDPAUFKHSSYWAT-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB COc1ccccc1Oc1ccc(NC(=S)NC2CCCC2)cn1 224036069 LRERCQRIROPFHX-UHFFFAOYSA-N 343.452 4.112 0 40 EIAB CCCCOCc1cc(C(=O)N(C)Cc2ccccc2)ccc1OC 224440138 GQOSAJGJIMEUOF-UHFFFAOYSA-N 341.451 4.284 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1 224694251 LQDMDFHHXCYLQV-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB CCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225477260 NWSNFVBCOQAUHW-UHFFFAOYSA-N 337.345 4.171 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225642851 PYANQVKPBLIUMU-INIZCTEOSA-N 338.451 4.392 0 40 EIAB O=C(NC[C@H](O)c1csc2ccccc12)c1ccc(Cl)s1 225692331 JMHLLASMDQWJQO-NSHDSACASA-N 337.853 4.080 0 40 EIAB CO[C@@H]1CC[C@H]2N(C(=O)c3ccc4oc(C)cc4c3)CC[C@@]2(C)C1 257249433 JIHTYVLLUAMVLZ-POAQFYNOSA-N 327.424 4.161 0 40 EIAB Fc1ccc2c(C3CCN(c4ccnc(C5CC5)n4)CC3)noc2c1 291197905 UBXQCBSGPZDGBU-UHFFFAOYSA-N 338.386 4.018 0 40 EIAB O=C(Nc1ccccc1Cl)N1CC[C@H](c2ccc3c(c2)CCO3)C1 618256225 OVXWSNPTVWWMAD-HNNXBMFYSA-N 342.826 4.296 0 40 EIAB O=Cc1nc(Br)c(-c2ccccc2-c2ccccc2)[nH]1 1857794585 BWWALYNFKOYRKI-UHFFFAOYSA-N 327.181 4.319 0 40 EIAB CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 201157 JILGKFNICBEHQQ-UHFFFAOYSA-N 349.433 4.188 0 40 EIAB CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(C)cc1 352917 PLBKNTHLKJOSGU-UHFFFAOYSA-N 333.391 4.372 0 40 EIAB Cc1ccc2cc(C)c(SCC(=O)NC3CCCCC3)nc2c1 412169 XMQHRVSBWCZDGA-UHFFFAOYSA-N 328.481 4.393 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2c(Cl)cccc2Cl)c1 483602 LZDKSXYYAFTFKA-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CCCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OCC)no1 498686 RJRCNDIJQZQHCV-UHFFFAOYSA-N 339.395 4.158 0 40 EIAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 525788 MFPKKSWIBKONEN-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB CCOC(=O)c1c(CNC2CCCCC2)oc2ccc(OC)cc12 553164 QBUJOQZTYZPHKA-UHFFFAOYSA-N 331.412 4.040 0 40 EIAB Cc1ccc(C)c(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)c1 2405581 OQRXKRMMWLSSLK-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCSCC2)c1 2515304 DGEZMUWQXWUGOG-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB CN1CCC(N(C)C(=O)c2cc3sc4ccccc4c3s2)CC1 3185468 IZMYBMSWABHUNQ-UHFFFAOYSA-N 344.505 4.282 0 40 EIAB O=C(c1ccc(F)cc1)[C@@H](O)Nc1cc(C(F)(F)F)ccc1Cl 3212858 GEOAWIDMZMOWMO-CQSZACIVSA-N 347.695 4.111 0 40 EIAB CC[C@@H]1CCCCN1C(=O)CSc1ccc(Br)cc1 3233417 SSPJSXJAWWELTC-CYBMUJFWSA-N 342.302 4.332 0 40 EIAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3350621 UOQWMTPHSCJKOS-UHFFFAOYSA-N 337.375 4.267 0 40 EIAB CCCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 3893232 STIDRODZRFWFTF-UHFFFAOYSA-N 329.469 4.365 0 40 EIAB CCc1ccc(C(=O)[C@@H](C)Sc2nc3ccc(OC)cc3[nH]2)cc1 4406435 NFWDUIOCGHMSFT-GFCCVEGCSA-N 340.448 4.497 0 40 EIAB CC(C)NC(=O)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 4671375 GGEOAMUDRYELJS-QGZVFWFLSA-N 341.842 4.262 0 40 EIAB Cc1ccc2c(c1)cc(C(=O)NCCc1ccc(Cl)cc1)n2C 4711993 GQOXHFUDHIEUIF-UHFFFAOYSA-N 326.827 4.113 0 40 EIAB Cc1ccc2sc(SCC(=O)NCCc3ccccc3)nc2c1 4753386 CCVAIGQANBLARG-UHFFFAOYSA-N 342.489 4.056 0 40 EIAB Cc1ccccc1CSc1nccn(-c2ccc(F)c(F)c2)c1=O 4853292 NLNGLSYWOWPRIX-UHFFFAOYSA-N 344.386 4.111 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2ccccc2OC1 5034339 UWUDDBMXEKROCH-UHFFFAOYSA-N 348.427 4.148 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 5101284 IYWXNCONOXNVSJ-TZRIAGMCSA-N 329.399 4.055 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1c(-c2ccccc2)nc2ccccn12 5269638 UYBVSDMGUKPQDU-UHFFFAOYSA-N 345.377 4.322 0 40 EIAB Cc1ccc(Cl)cc1-n1c(S)nnc1CCc1ccccc1 6401155 ILBJAKDJBYAKAZ-UHFFFAOYSA-N 329.856 4.303 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 6610910 PXMOPRWPUMHLNM-LBPRGKRZSA-N 340.448 4.497 0 40 EIAB CC(C)n1c(SCc2cccc(F)c2)nc2ccccc2c1=O 7236791 YAWWKFNHQFNLNU-UHFFFAOYSA-N 328.412 4.409 0 40 EIAB CCOc1ccc2nc(NC(=O)Cc3ccccc3C)sc2c1 7473476 WPDXHMHACAZFDJ-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccn1 8053987 IBIABEILFVRRRL-CQSZACIVSA-N 327.391 4.260 0 40 EIAB CC(=O)CCSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 8393276 BZHMOCNYBXZSKW-UHFFFAOYSA-N 337.448 4.314 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 9141866 LYSSHINGUQJJAS-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB O=C(COc1ccc(Cl)cc1)N(c1ccccc1)c1ccccn1 9644335 VUMUBZALESFCSS-UHFFFAOYSA-N 338.794 4.479 0 40 EIAB CCC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1 11238853 KOYKOYZCJSEASS-HNNXBMFYSA-N 342.464 4.368 0 40 EIAB COc1ccc(-c2nc3cnccn3c2NCc2ccc(F)cc2)cc1 12113293 PWGFAHIIOLKHJE-UHFFFAOYSA-N 348.381 4.156 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1ccccc1 12311505 FJRVLNHAHKUKFS-NEWSRXKRSA-N 346.467 4.166 0 40 EIAB Cc1ccc(-n2cnnc2SCc2nc3ccccc3o2)c(C)c1 12543257 JPEXPCPKLIHPMQ-UHFFFAOYSA-N 336.420 4.318 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)c(OC)c1 12602171 LBFOMQYAVKYCTE-WEVVVXLNSA-N 347.798 4.018 0 40 EIAB C[C@@H]1CN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@@H](C)O1 13071072 MDZVDOLYUVELRM-WHSLLNHNSA-N 348.446 4.201 0 40 EIAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 15582655 ASOXHLPGGHXCAY-UHFFFAOYSA-N 338.407 4.386 0 40 EIAB CCc1noc(CC)c1C(=O)Nc1ncc(Cc2ccccc2)s1 19521345 YUWZGVYNXCHVTM-UHFFFAOYSA-N 341.436 4.099 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 19934228 GRUUFBFPXKUWAT-GOSISDBHSA-N 347.842 4.213 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C 20450958 DFIGXKLHYYXWTP-SUMWQHHRSA-N 329.827 4.475 0 40 EIAB COc1ccc(CSCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 20482208 JXAKEBNSYIASPH-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB CC(C)(C)C(=O)NC(=S)Nc1ccc2c(c1)oc1ccccc12 21596362 QNEDKPUCJDBQCT-UHFFFAOYSA-N 326.421 4.445 0 40 EIAB Clc1snnc1CN1CCC[C@H]1c1nc2ccccc2s1 23865230 MEZPVDJPSGEZMO-NSHDSACASA-N 336.873 4.138 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 25091014 RZXXZEQRTVYVKJ-GFCCVEGCSA-N 337.810 4.322 0 40 EIAB CCCCC[C@@H](C)NC(=O)c1cccnc1SCc1cc(C)on1 26361676 UULFRBITMVBRGB-CYBMUJFWSA-N 347.484 4.369 0 40 EIAB O=C(CCSc1nc2ccccc2s1)NCCc1ccccc1 29506492 UNRQABIWGMXSLK-UHFFFAOYSA-N 342.489 4.137 0 40 EIAB COc1ccc2[nH]cc(C3=CCN(C(=O)C4CCCCC4)CC3)c2c1 32337823 DMUBNCBZKGYGBE-UHFFFAOYSA-N 338.451 4.373 0 40 EIAB C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1Br 32480244 BOCLIDSYOMIXMA-LLVKDONJSA-N 343.224 4.421 0 40 EIAB Cc1ccc2nc(C)cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)c2c1 32826913 IJHVDVPWYFMIOT-UHFFFAOYSA-N 344.418 4.000 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccncc1 32845910 OMWODDQBBDQPJL-FQEVSTJZSA-N 328.371 4.347 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 36561577 SJRRWEAGDFEHSP-HXUWFJFHSA-N 341.451 4.256 0 40 EIAB O=C(O)C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1cccs1 37088224 AFBWHWPFZJHGTQ-NSHDSACASA-N 346.235 4.066 0 40 EIAB Cc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nn1 38670541 KRNMHTQWYKMMQX-UHFFFAOYSA-N 338.798 4.434 0 40 EIAB CCOc1ncccc1CNC(=O)Nc1cccc(Cl)c1Cl 40097540 VPCLWVQMCKMVPQ-UHFFFAOYSA-N 340.210 4.109 0 40 EIAB COc1ccc(CN(C)C(=O)Nc2cccc3c2CCCC3)cc1F 40098147 MKQBUYOZDBWINM-UHFFFAOYSA-N 342.414 4.377 0 40 EIAB Cc1ccc(NC(=O)c2cc(C)oc2C)c(OC[C@@H]2CCCO2)c1 58179770 XMWKUIAGQJPRJW-HNNXBMFYSA-N 329.396 4.015 0 40 EIAB O=C(Cn1cc(-c2ccccc2)cn1)Nc1ccc2ccccc2c1 58404321 OSVZMDKHIVJDLJ-UHFFFAOYSA-N 327.387 4.342 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCCOc1ccc(Cl)cc1 59475208 XSLBTVSCPICPCJ-BJMVGYQFSA-N 336.218 4.202 0 40 EIAB CC(C)(C)OC(=O)NC[C@H]1CCCN([C@H]2CCCc3ccccc32)C1 63627678 LESKDYXXNAAZAE-APWZRJJASA-N 344.499 4.301 0 40 EIAB CN1CCCc2cc(NC(=O)c3ccc(OCC4CC4)cc3)ccc21 64843690 KKHAEPGFYHVLMO-UHFFFAOYSA-N 336.435 4.110 0 40 EIAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H](C)CC3)cs2)cc1 65493086 IPSRJAQHRBIWAI-CYBMUJFWSA-N 330.453 4.081 0 40 EIAB Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)on1 69594289 FQLIDBNPBURVAB-UHFFFAOYSA-N 328.290 4.041 0 40 EIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H](C)C(C)(C)C 71902334 JFHRWISSKZCMNN-CYBMUJFWSA-N 328.416 4.133 0 40 EIAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]1c1ccc[nH]1 78641833 KFHKWVZDHUWBOL-GOSISDBHSA-N 326.440 4.189 0 40 EIAB COc1ncccc1NC(=O)Nc1ccc(N2CCCCCC2)cc1 83915433 MLMPRVCGGVWQGI-UHFFFAOYSA-N 340.427 4.115 0 40 EIAB Fc1cc(F)c(F)c(CNCc2cnc(C3CCC3)s2)c1F 95415541 QNAZYRMMDVLZAU-UHFFFAOYSA-N 330.350 4.257 0 40 EIAB Cc1nc(C)c(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)s1 95479231 DZFZKJMFNMBHKA-UHFFFAOYSA-N 347.856 4.247 0 40 EIAB Cc1nnc([C@@H](C)OC(=O)c2cc(-c3ccccn3)ccc2Cl)o1 95974378 LGKSKJAJYCERLU-SNVBAGLBSA-N 343.770 4.011 0 40 EIAB Fc1ccc(-c2cnc(SCc3nnc(C4CCC4)o3)[nH]2)cc1 96405380 JOIBVIGPQWGZNF-UHFFFAOYSA-N 330.388 4.159 0 40 EIAB CCO[C@H](C)c1nc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cs1 96416442 IYCADFIYQKBQHT-HUUCEWRRSA-N 344.480 4.179 0 40 EIAB Cc1ccc(CCC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)o1 195553387 KRNQOKILKJTWHY-QGZVFWFLSA-N 329.444 4.004 0 40 EIAB COC(=O)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccccc12 216954176 BXRZXHPNRFNUHA-UHFFFAOYSA-N 327.767 4.078 0 40 EIAB CC(C)C(NC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(C)C 219675823 NPUUVKCOUNNVPV-GFCCVEGCSA-N 342.277 4.013 0 40 EIAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)CCC2 223215422 MVVQVGZFVNOZDY-AWEZNQCLSA-N 343.467 4.425 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C 223499950 MCHDCGJKWCZDDJ-GOSISDBHSA-N 347.462 4.348 0 40 EIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224323114 TZFUCTYXUXRPRJ-MOPGFXCFSA-N 349.459 4.414 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 224965830 AQRBOLDMJWSOKN-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB Cc1ccc(-c2noc(CN(C)C(=O)c3cc(C)c(C)cc3C)n2)cc1 225652784 UXEVZEFUXZPCIN-UHFFFAOYSA-N 349.434 4.242 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 253498201 NCMZQTLCXHGLOK-UMZDPGFTSA-N 330.468 4.450 0 40 EIAB COc1ccc(-c2nnc(SC(=O)c3ccc(Cl)cc3)o2)cc1 408692615 QRLCYFWCAXSSPW-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB FC(F)(F)c1ccnc2c(-c3cccc(Br)c3)cnn12 408952458 NWHIIPWNZRKUBJ-UHFFFAOYSA-N 342.118 4.178 0 40 EIAB O=C(Cc1cc(Cl)cc2c1OCC2)Nc1cncc2ccccc12 541595012 LHNWKYSEHJROHH-UHFFFAOYSA-N 338.794 4.004 0 40 EIAB Cc1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)s1 570991920 VEJUDUKFNNPMHP-INIZCTEOSA-N 347.484 4.061 0 40 EIAB COCC1CCC2(CC1)Nc1ccc(Cl)cc1C(=O)N2CC1CC1 639413418 FCZASEBXACZGCJ-UHFFFAOYSA-N 348.874 4.151 0 40 EIAB C[C@@H](C(=O)Nc1nc2c(o1)CCCC2)c1cccc(Br)c1 1637312851 RUVBRWMUABGSEZ-SNVBAGLBSA-N 349.228 4.058 0 40 EIAB CC(C)(C)NC(=O)[C@H]1CCN(C(c2ccccc2)c2ccccc2)C1 1889224963 XJKQFZVODUJURW-IBGZPJMESA-N 336.479 4.013 0 40 EIAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 270077 IMRXUDBZTAXAGF-HZPDHXFCSA-N 335.513 4.401 0 40 EIAB CSc1nnc2c(n1)O[C@@H](c1sccc1C)Nc1ccccc1-2 369006 QRTCVYXCJOTBJN-HNNXBMFYSA-N 342.449 4.134 0 40 EIAB Cc1ccc(C(=O)N2C(=O)c3ccccc3OC23CCCCC3)cc1 494147 CVYFLBSLCDBCJO-UHFFFAOYSA-N 335.403 4.330 0 40 EIAB CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 1006595 ZCHCLICLFANXGQ-UHFFFAOYSA-N 348.805 4.117 0 40 EIAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccn1)c1ccccc1 1683117 MCEVCJIDLHIYDE-UHFFFAOYSA-N 336.778 4.218 0 40 EIAB CC(C)[C@H](NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1 3433489 KEOUZLIQFOLQIG-SFHVURJKSA-N 333.391 4.436 0 40 EIAB O=C(O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 3466236 NDZQPXFPOCTXEF-UHFFFAOYSA-N 331.371 4.155 0 40 EIAB in-vivo Cc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 3560036 GPYGOXHUMYUNCA-UHFFFAOYSA-N 348.402 4.079 0 40 EIAB O=C(Cc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 3608566 IIFJYQSRHFESQN-KRWDZBQOSA-N 344.252 4.185 0 40 EIAB COc1ccc2nc(SCC(=O)c3ccc4c(c3)CCC4)[nH]c2c1 4252250 NYCVNTHMPZVRDW-UHFFFAOYSA-N 338.432 4.035 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 4666310 LUQNBQSNCJGCMS-ZDUSSCGKSA-N 343.423 4.478 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 4696251 MIEKHPVGUXVDBU-HZPDHXFCSA-N 336.435 4.057 0 40 EIAB CCOP(=O)(OCC)OP(N(CC)CC)N(CC)CC 5453749 SKZRXVHMXKIWOK-UHFFFAOYSA-N 328.330 4.095 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1c2ccccc2C[C@H]1C 5898197 QTRVUCMNVAUZIP-OLZOCXBDSA-N 344.842 4.127 0 40 EIAB C[C@H](Oc1cccc2cccnc12)C(=O)Nc1ccc(F)c(F)c1F 5937424 BLKMDCACYUNBGE-JTQLQIEISA-N 346.308 4.058 0 40 EIAB Cc1ccc(CN(C)c2ncnc3sc4c(c23)CC[C@@H](C)C4)o1 6602745 HHAIXBHLGRNDGL-LLVKDONJSA-N 327.453 4.354 0 40 EIAB COc1ccc(COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1F 7166250 HNBGJICNDSGYRF-NSHDSACASA-N 334.412 4.378 0 40 EIAB c1nc(Oc2ccc(-c3nnco3)cc2)c2c3c(sc2n1)CCC3 7984083 KXPPYWZZXZYQLE-UHFFFAOYSA-N 336.376 4.022 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1ccco1 8041786 YGMXSJCVVKIIFU-UHFFFAOYSA-N 347.480 4.006 0 40 EIAB CCn1cccc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O 8091027 XHMYHPWJECMHGI-XNTDXEJSSA-N 345.855 4.361 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156158 LTLNYGIJNZDMCU-LBPRGKRZSA-N 349.839 4.150 0 40 EIAB CCCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C 8746162 PQQQAPBJIOOFGT-INIZCTEOSA-N 327.424 4.498 0 40 EIAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063293 AWOOLVXVCYLUMF-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)C)ccc1O2 9135327 VDAUUCLDUSDRNU-UHFFFAOYSA-N 338.407 4.362 0 40 EIAB COc1ccccc1-c1noc(CNc2ccc(F)c(Cl)c2)n1 11158811 LBKQNZZNNOFLMK-UHFFFAOYSA-N 333.750 4.150 0 40 EIAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccccn1 11915037 DYUYBTLYPGXBEA-UHFFFAOYSA-N 338.432 4.389 0 40 EIAB CCN(c1ccccc1)[C@@H]1SC(=O)N(c2ccccc2C)C1=O 12113013 MJPHEZDHFXCQMF-QGZVFWFLSA-N 326.421 4.047 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)c1csc(-c2ccccc2)n1 12922387 LWCDGERYXHEVFK-UHFFFAOYSA-N 326.396 4.221 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1C 12978947 JVBYLLJZAPAKRA-UHFFFAOYSA-N 343.496 4.244 0 40 EIAB Cc1ccc(Oc2ccc(OCC(=O)Nc3cc(C)on3)cc2)cc1 13005702 IJTGVUCWCPNZIB-UHFFFAOYSA-N 338.363 4.101 0 40 EIAB Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 16752998 HZCLQDAYBXECFI-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 20025491 HVVNCPUCACRYOP-UHFFFAOYSA-N 343.276 4.114 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C1 21734285 OVECKDAXVBMALR-FRRDWIJNSA-N 334.510 4.281 0 40 EIAB Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c(C)c1Cl 21895434 CLBOYURDGPWRSZ-BETUJISGSA-N 345.874 4.261 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CC[C@H]2CCCC[C@H]2C1 21905403 WDHFCXZRAOLIIQ-KGLIPLIRSA-N 349.858 4.154 0 40 EIAB CC(=O)N(c1nnc(S[C@H](C)c2ccc(F)cc2)s1)C1CC1 25772394 XBXQIGQFVQESJX-SECBINFHSA-N 337.445 4.046 0 40 EIAB CC(=O)Nc1ccc(/C=C/c2cc(C(=O)O)c3cc(C)ccc3n2)cc1 26762915 ARWARPRSFMWKQE-RMKNXTFCSA-N 346.386 4.370 0 40 EIAB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)c(=O)o1 27788829 FSFIRJLWWZQBAR-QGZVFWFLSA-N 346.386 4.332 0 40 EIAB C[C@H]1CCCC[C@@H]1NC[C@H](O)COc1ccc(-c2ccccc2)cc1 35986620 HCVTZZOECXSSPG-XJABCFGWSA-N 339.479 4.262 0 40 EIAB CCN(CC)c1ccc(CNC(=O)c2occc2-c2ccccc2)cn1 40118593 DWBFFKNMFOGLEJ-UHFFFAOYSA-N 349.434 4.118 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(C(C)C)cc1 44901236 XGWKAMAXTXNXEL-FQEVSTJZSA-N 343.442 4.465 0 40 EIAB Clc1cccc2sc(-c3ccc(Cn4cnnc4)cc3)nc12 45920818 FUKSAAZYZLTOKJ-UHFFFAOYSA-N 326.812 4.257 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2cc3cc(Br)ccc3[nH]2)o1 48300330 IZWITXKKSPRDIE-JTQLQIEISA-N 347.212 4.323 0 40 EIAB O=C(Cn1ccc2ccccc21)O[C@@H](c1ccccc1)c1ccccn1 58088451 RLOQVTQLSUTRLC-QFIPXVFZSA-N 342.398 4.369 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 61966180 BKRQCWOYKHDZJV-UHFFFAOYSA-N 339.460 4.175 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nccs2)C1 65519156 VSAPVOQTZVWPBE-GFCCVEGCSA-N 340.370 4.182 0 40 EIAB Cc1nc(CSc2nnc(-c3ccccc3)c3ccccc23)no1 69591959 RHPBFIXFFRUCGP-UHFFFAOYSA-N 334.404 4.281 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(Br)nc1 72211582 PCDGHSGRWVGCSP-LBPRGKRZSA-N 341.249 4.306 0 40 EIAB Cc1cc(Cl)cc2c(N3CCC(c4ncc[nH]4)CC3)ccnc12 72477632 BRWKZZYJGZMOTF-UHFFFAOYSA-N 326.831 4.304 0 40 EIAB CS[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 76069478 ISULTEVNCFGRGX-LSDHHAIUSA-N 331.441 4.056 0 40 EIAB O=C(OC[C@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc12 84591046 JHLDSQLYXQJRPE-CYBMUJFWSA-N 339.416 4.299 0 40 EIAB COc1cccc([C@@H](NCc2cc[nH]c2)c2cc(F)ccc2OC)c1 86255641 OPMGNRUALHZHJG-HXUWFJFHSA-N 340.398 4.050 0 40 EIAB Cc1nnc(-c2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)o1 89736432 YXAARIOBNXQVLI-UHFFFAOYSA-N 347.296 4.316 0 40 EIAB CCc1nc([C@H](C)Sc2nnc(N)s2)oc1-c1ccccc1 95416405 NDSSLHICICXSHQ-VIFPVBQESA-N 332.454 4.191 0 40 EIAB COC(=O)Nc1ccc(CN[C@@H](C)c2nc3ccccc3s2)cc1 95420436 UCDGMBCBHXXQIL-LBPRGKRZSA-N 341.436 4.325 0 40 EIAB CCOc1ccc2c(c1)[C@H](N[C@H](C)c1csc(CC)n1)CCO2 95422311 VFAPVHSTEIGESD-IUODEOHRSA-N 332.469 4.279 0 40 EIAB COc1ccc(CC(=O)Nc2ncccc2-c2ccccc2)cc1F 95458288 MWKPVHGFBKKOFQ-UHFFFAOYSA-N 336.366 4.078 0 40 EIAB CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccccc2OC(F)F)CCO1 95465853 IQCOPHOTZXREMT-CJNGLKHVSA-N 341.398 4.002 0 40 EIAB CO[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccc(C)s1 96104720 DSYKMGQVGCYXFM-CQSZACIVSA-N 349.521 4.434 0 40 EIAB Cc1cc2nc(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2cc1C 96112335 LFBLJAYSWQPIIL-APWZRJJASA-N 345.462 4.051 0 40 EIAB biogenic,in-vitro Cc1cc(NC(=O)CCc2ccccc2F)ccc1Br 96656056 WESYIKOVMAFXLZ-UHFFFAOYSA-N 336.204 4.468 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 100831874 IZSDRPZNOODBAV-WCLQXYBISA-N 339.564 4.383 0 40 EIAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1C1CC1 102728889 XTCILICRSKQBSG-UHFFFAOYSA-N 331.828 4.188 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 113970105 SAFLDLBWRGZZPQ-KRWDZBQOSA-N 327.424 4.498 0 40 EIAB C[C@]12C=CC3(C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)OCCO3 118916973 UTPAAARZGVNSFQ-TXTPUJOMSA-N 328.452 4.037 0 40 EIAB O=C(O)c1cc(Cl)c(OCc2c(F)cccc2Cl)cc1O 216933226 HAFHOILYZFHSBI-UHFFFAOYSA-N 331.126 4.115 0 40 EIAB CC(C)(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2N1Cc1ccccc1 218904762 PLBNPVMWLDHABU-WFXMLNOXSA-N 328.500 4.125 0 40 EIAB biogenic Cc1ccccc1[C@@H]1CCN(C(=O)c2scnc2C)CCS1 219291774 DWOZJBMINRMMQI-HNNXBMFYSA-N 332.494 4.080 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1Cl 223454558 RQULPELWEVHEMS-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224106610 UNDYZBCIOWYJBD-OAHLLOKOSA-N 327.424 4.111 0 40 EIAB Cc1ccc(OCCNC(=O)COc2cccc3ccccc23)cc1C 224258259 ILAHBPOZFUEWFZ-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 225594167 RGRURVQGRWFQHU-AWEZNQCLSA-N 349.471 4.471 0 40 EIAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC1CCCCCCCCCCC1 247394349 MABQZFKFWMHSOX-RNIPGJKVSA-N 347.499 4.299 0 40 EIAB Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)c(Cl)c1 260842715 SDFBZGPFRWCZEK-OAHLLOKOSA-N 342.870 4.220 0 40 EIAB Cc1ccc(/C=C/C(=O)NCCSCc2ccc(C)cc2)cc1 408542784 AMUAEBZQKDFGNR-VAWYXSNFSA-N 325.477 4.366 0 40 EIAB COc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)c1 332859 KFFWUPBQCILDMY-OVCLIPMQSA-N 348.185 4.347 0 40 EIAB Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12 429799 XVXIIXYUAZVULU-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB Cc1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 1016976 HMPVQTKZHWAUIJ-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)CC)s2)cc1 1345572 XRTWJJPCMVTCFI-UHFFFAOYSA-N 333.457 4.003 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 1911467 HEHDMRZCUSWMKA-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB O=C(Nc1cc(Cl)ccn1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2206445 ACXBEPYLGCXLKV-AWEZNQCLSA-N 341.625 4.189 0 40 EIAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccccc1Cl 2264630 YGAFRMFKBPLTTF-XNTDXEJSSA-N 344.823 4.446 0 40 EIAB O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1ccccc1 3217556 WNWSZNYJFILBHP-UHFFFAOYSA-N 331.371 4.232 0 40 EIAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 3260355 XQCYMRVJHFWENS-UHFFFAOYSA-N 345.424 4.318 0 40 EIAB CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 4108127 YQLRGSDCFZFTHG-ZDUSSCGKSA-N 346.521 4.023 0 40 EIAB CC(=O)c1sc(NC(=O)CCSc2ccc(C)cc2)nc1C 4496513 VJJSSYIZAPTKQT-UHFFFAOYSA-N 334.466 4.083 0 40 EIAB COc1ccc(CNc2c(-c3ccccc3O)nc3ccccn23)cc1 4746136 XDUIMXRFODCPGK-UHFFFAOYSA-N 345.402 4.328 0 40 EIAB COc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1 4902274 RIDPZPRGFIRIQX-UHFFFAOYSA-N 346.386 4.228 0 40 EIAB CCOc1ccc(-c2ncncc2Oc2ccccc2OC)c(O)c1 5561685 TUFYGOHOTZRJCG-UHFFFAOYSA-N 338.363 4.049 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(Cc2ccncc2)cc1 6320180 XHKIIDLZLIYVCN-UHFFFAOYSA-N 333.391 4.325 0 40 EIAB Cc1ccc(C)n1-c1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 7468231 YCMHHGICOIJFJK-UHFFFAOYSA-N 334.375 4.045 0 40 EIAB Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2cccs2)cc1 7739630 BGIOXAKXQCFTDC-HXUWFJFHSA-N 337.444 4.341 0 40 EIAB Cc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c(C)c1 8209838 CGPNPAQXUABAKZ-UHFFFAOYSA-N 336.416 4.425 0 40 EIAB CCCn1c(C)cc(C(=O)CSc2ncnc3sccc23)c1C 8395626 GVOAWBCDRSWAMC-UHFFFAOYSA-N 345.493 4.495 0 40 EIAB CCc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9063006 HBPPSUFLMGEDJL-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB O=C(NC1CCCCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 9063643 CBRXKNKXZDJOGH-UHFFFAOYSA-N 346.490 4.267 0 40 EIAB CCOc1cccc2cc(C(=O)Nc3ccc(CC)cc3)c(=O)oc12 10384425 GDGYWPQWSFOZHQ-UHFFFAOYSA-N 337.375 4.006 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 11637191 BOHDYYFKGVAFLV-SFHVURJKSA-N 327.424 4.498 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12926196 XCYVJJQIPLBVSQ-INIZCTEOSA-N 335.447 4.324 0 40 EIAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccccc1Cl 13892899 NCOAQGMOCKLEQB-OQLLNIDSSA-N 345.807 4.282 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2cc(F)ccc2OC)c(OC)c1 15367106 FEOJNZMEHAYNIL-SFHVURJKSA-N 345.414 4.189 0 40 EIAB c1ccc(-c2noc(CN(Cc3ccco3)Cc3ccco3)n2)cc1 16418161 OQCXORCWGNALKD-UHFFFAOYSA-N 335.363 4.125 0 40 EIAB CCSc1nnc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)s1 16706200 GMKDUFIKYPZYAJ-IWUOWKGWSA-N 335.454 4.018 0 40 EIAB CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12 19898724 RECNLJXFJBWNTJ-UHFFFAOYSA-N 333.750 4.362 0 40 EIAB CC(C)c1cc(-c2nnc3sc(-c4ccccc4Cl)nn23)[nH]n1 22502163 YIGZTMFRNOMXCT-UHFFFAOYSA-N 344.831 4.020 0 40 EIAB CC(C)C(=O)N1CCCc2cc(NC(=O)NC3CCCCC3)ccc21 22504377 OWDJAPYKDIEBQR-UHFFFAOYSA-N 343.471 4.076 0 40 EIAB Cc1nc(C2(NC(=O)Cc3ccc4ccccc4c3)CCCCC2)no1 23508061 QYUFLSJLQJBGPA-UHFFFAOYSA-N 349.434 4.050 0 40 EIAB O=C(OCc1csc(-c2ccco2)n1)c1ccc2ccccc2n1 25454669 ILDFJLBBFPCSCK-UHFFFAOYSA-N 336.372 4.308 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27741347 OIVZYFFCWUTGQA-SFHVURJKSA-N 342.508 4.404 0 40 EIAB O=C(CCc1ccccc1)Nc1cnn(Cc2cccc(Cl)c2)c1 28303737 IKXBJUXHOSSUBN-UHFFFAOYSA-N 339.826 4.156 0 40 EIAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1cnc2ccccc21 31835996 YVICPUXFNCIDAC-INIZCTEOSA-N 348.450 4.226 0 40 EIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C 41076983 ULXUJSXTHXKURU-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB Cc1ccc2[nH]cc(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)c2c1 57354763 JYPJOVZCWYAONG-UHFFFAOYSA-N 337.766 4.207 0 40 EIAB Cc1cccc(C)c1NC(=O)c1n[nH]nc1Nc1ccc(Cl)cc1 57510736 DGWISPZILPJACK-UHFFFAOYSA-N 341.802 4.071 0 40 EIAB CC(C)c1cc(C(=O)N2CCC[C@@H]2C(C)C)c2cnn(C(C)C)c2n1 58363296 JVWMREXAJOESGE-GOSISDBHSA-N 342.487 4.396 0 40 EIAB CCCc1noc([C@H](C)Nc2cccc(NC(=O)OCC)c2C)n1 58440265 PERCBRGRHSYTCR-LBPRGKRZSA-N 332.404 4.072 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 59351942 XUKPXRGUFXVPGF-KGLIPLIRSA-N 347.842 4.302 0 40 EIAB CC(=O)c1c(-c2ccc(F)c(F)c2)c2cc(Cl)ccc2[nH]c1=O 61957976 OQCWPSJCYBJZKF-UHFFFAOYSA-N 333.721 4.329 0 40 EIAB O=C(NCc1csc2ccccc12)C1=NO[C@@H](c2ccccc2)C1 64720693 GCAYPTFLBHYNLI-QGZVFWFLSA-N 336.416 4.035 0 40 EIAB CCOc1ccccc1CNC(=O)COc1cc(C)ccc1C(C)C 64762318 MLXLQXWUSQORMZ-UHFFFAOYSA-N 341.451 4.212 0 40 EIAB Cc1ccc(-c2csc3ncnc(NCCNC(C)(C)C)c23)cc1 65591294 XXGPKKCERYXJLZ-UHFFFAOYSA-N 340.496 4.467 0 40 EIAB FC(F)(F)[C@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 69323109 ADIROIMBGJGWKP-NSHDSACASA-N 345.752 4.164 0 40 EIAB COCc1cc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)ccc1F 72291379 OIPJVSVJLDAQRS-INIZCTEOSA-N 348.443 4.104 0 40 EIAB C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2ccn(C)c2c1 83572641 DENKQTLFPSNNCW-HNNXBMFYSA-N 348.450 4.051 0 40 EIAB CN(C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1CCCCCC1 83855631 VRYUQGGFWFTTOS-RTBURBONSA-N 348.462 4.410 0 40 EIAB CC(=O)NCc1ccc(C(=O)N(c2ccc(Cl)cc2)C(C)C)cc1 84597289 ZZCFOPVQWFLQKM-UHFFFAOYSA-N 344.842 4.031 0 40 EIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)Cc1cccs1 85470987 FFVKNMFTWVEJDV-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB COCCn1ccc2ccc(C(=O)Nc3cccc4ncccc34)cc21 95478170 PAAVXXYQKUSRJN-UHFFFAOYSA-N 345.402 4.088 0 40 EIAB Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1nccn1CC(C)C 96478392 QEFSTKPUHYLQAH-CYBMUJFWSA-N 334.533 4.452 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCOCC1 97038086 ZWDXJBOFXKSCOL-MRXNPFEDSA-N 345.487 4.322 0 40 EIAB Cc1nn(C2CCCCC2)c(C)c1NC(=O)[C@H](C)C1CCOCC1 97229817 UXMMWHSWFTVDES-CYBMUJFWSA-N 333.476 4.006 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@@H]1C2 100770958 IHNZRJWSQGNGQN-ABKXIKBNSA-N 326.223 4.327 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 102067616 KTIYWLNOCNYWMN-HZVDNRATSA-N 347.414 4.323 0 40 EIAB CCS(=O)(=O)Nc1ccc(NCc2sccc2Cl)cc1C 193160832 FLAHQKFHDSKBJP-UHFFFAOYSA-N 344.889 4.084 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)o1 216893202 MAFXQNQNOJKGEA-VQHVLOKHSA-N 327.771 4.055 0 40 EIAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(C)c1 222544645 JGFOZLJPBRWMEF-QGZVFWFLSA-N 331.843 4.467 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223209546 ZYSGJBJMQODIIS-IRXDYDNUSA-N 337.463 4.437 0 40 EIAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1 225057567 GNDMNJXEJAZZOI-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1cccc(C2(CNC(=O)c3ccc(C)cc3C)CCOCC2)c1 225059162 HYNIBWLGHXMCIN-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB CO[C@@](C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 225642881 PFVUOLKBMAXAGX-HXUWFJFHSA-N 325.408 4.019 0 40 EIAB Cc1cc(C)c(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C 225651142 QURQGCPPFLVKQV-SFHVURJKSA-N 336.479 4.183 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)Nc3ccccc3)CC2)o1 227163752 DSOPSUNNAUQGSI-UHFFFAOYSA-N 327.428 4.384 0 40 EIAB COc1cccc(-c2nnc(SC(=O)c3ccccc3Cl)o2)c1 408670036 XTOYSPILJFBIQG-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB Cc1ccc2oc(-c3cc(Cl)cc4c3OCOC4)cc(=O)c2c1 138830 CVRAPDYUWARLSZ-UHFFFAOYSA-N 328.751 4.288 0 40 EIAB biogenic CCc1cc2cccc(C)c2nc1SCC(=O)NC1CCCC1 413144 SHGIGPIKMQRINA-UHFFFAOYSA-N 328.481 4.257 0 40 EIAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(O)cc1 422408 MPBSWWMCXWZSNR-UHFFFAOYSA-N 331.828 4.133 0 40 EIAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 550292 REGVLZIMFQMJOD-UHFFFAOYSA-N 342.398 4.370 0 40 EIAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(Cl)ccc1Cl 557663 MEQMPSHNWZMILI-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CCN(CC)C(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 561024 BMSLDXBVDNMCHK-UHFFFAOYSA-N 340.467 4.273 0 40 EIAB O=C(NCc1ccco1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3426913 OEWIRZAJRYCZDQ-UHFFFAOYSA-N 337.219 4.247 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1C 4119926 QASDXHISNTUJRF-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3ncccn23)cc1C 4734261 KWIFBNWHOHJFGU-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB CC(=O)[C@@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4783552 HQWPPVLSHLFTDY-LPCQMJKOSA-N 329.484 4.180 0 40 EIAB O=C1N[C@@H](Nc2ccc(F)cc2)S/C1=C\c1cccc(Cl)c1 5370707 MLQDKRCXKJYZRK-IHWMJMDHSA-N 334.803 4.079 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccccc2Cl)c1 5697705 QUGOSDHOUXIWBU-BQYQJAHWSA-N 329.827 4.165 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(F)cc1Cl 6969299 YPZIDMILQPDVTC-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCOc2ccccc21 7214948 BTYXIYKQNGQSOV-INIZCTEOSA-N 345.826 4.137 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1F 7706067 CTANWJBFNRZQKU-SNVBAGLBSA-N 332.375 4.408 0 40 EIAB COc1ccc(C)cc1CSc1nnc(-c2ccc(F)cc2)o1 7829810 QMVPBKVRAIPFSY-UHFFFAOYSA-N 330.384 4.485 0 40 EIAB Cc1ccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 9062611 SFHARBOLPGHBDF-UHFFFAOYSA-N 348.490 4.186 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)c(C)c1 9196508 WMKBBWVMOYUCIX-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB CCOC(=O)c1oc2ccc(NC(=O)c3ccccc3C)cc2c1C 9659849 UIXMCPDISBNDPF-UHFFFAOYSA-N 337.375 4.479 0 40 EIAB biogenic Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccccc2O)CC3=O)cc1 10156815 LRIDCJXCJDXQAB-OAHLLOKOSA-N 332.403 4.107 0 40 EIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1C(C)C 11368401 MTACLUFUCGLRMC-UHFFFAOYSA-N 334.419 4.265 0 40 EIAB O=c1[nH]c(SCc2c(Cl)cccc2Cl)nc2c1CCCC2 11905565 FXXZTOYNQANAAK-UHFFFAOYSA-N 341.263 4.248 0 40 EIAB c1ccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)cc1 12534193 QOTQNBVLGINKRG-UHFFFAOYSA-N 341.505 4.194 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(Br)cc1 12587573 RPLPPUADJVJGKL-TXEJJXNPSA-N 342.302 4.331 0 40 EIAB O=C(Nc1ccccc1)C1CCN(c2nc3ccccc3s2)CC1 12756069 PHMWURKBCLVCRT-UHFFFAOYSA-N 337.448 4.151 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(F)c3)s2)cs1 12887564 KQPGJPRBVWRXPM-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2Cl)c1 13648614 YMRKVURPKZYYEH-ZHACJKMWSA-N 343.810 4.477 0 40 EIAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccco4)nc32)cc1 15842254 JAOLROOTXZFYTF-UHFFFAOYSA-N 343.390 4.253 0 40 EIAB CCOC(=O)c1cc(C)nc(Nc2ccc(Cl)cc2Cl)n1 17066695 FQPSCKQSKJULPX-UHFFFAOYSA-N 326.183 4.012 0 40 EIAB Clc1ccccc1CN1CC[C@@H](c2nc(-c3cccs3)no2)C1 19348834 QXEGMPFEMDUOAO-CYBMUJFWSA-N 345.855 4.441 0 40 EIAB CCC(C)(C)c1ccc(OCCCCCCN2CCNCC2)cc1 19366353 XFNCEPNJAJVWKY-UHFFFAOYSA-N 332.532 4.219 0 40 EIAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccc1 19589170 HKRBJQBZMQZCSD-YPAWHYETSA-N 348.490 4.169 0 40 EIAB Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 19909418 BCTLLELASDCBBD-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1c(F)cccc1F 20021966 RSGWCOBEXGTVFB-UHFFFAOYSA-N 348.349 4.404 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(NC(C)=O)cc1 20042228 MMRUNJMTTRUHBB-SFHVURJKSA-N 340.423 4.058 0 40 EIAB Cc1ccc(CSCC(=O)NCc2ccc(OC(C)C)cc2)cc1 20456399 CZNPHHYYCQEJAD-UHFFFAOYSA-N 343.492 4.332 0 40 EIAB COc1cccc(NC(=O)c2cccnc2Nc2cccc(OC)c2)c1 22072097 SQKQBHPPRQLRAQ-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25091008 LGJMAXCFYSKPIX-LBPRGKRZSA-N 337.810 4.322 0 40 EIAB CCc1cc(-c2n[nH]c(C)c2-c2csc(C)n2)c(O)cc1OC 28462501 PPGZIRFFKYSRMN-UHFFFAOYSA-N 329.425 4.094 0 40 EIAB CSc1ccc(Cl)c(C(=O)N(C)Cc2nc3ccccc3[nH]2)c1 28985592 SRGFJWOIKTUXJP-UHFFFAOYSA-N 345.855 4.210 0 40 EIAB C[C@H](OC(=O)Cc1ccccc1F)C(=O)C12CC3CC(CC(C3)C1)C2 32876717 DVKWUJRJZFRGIG-JHMRYYBSSA-N 344.426 4.085 0 40 EIAB COc1ccc(OC)c(CS[C@@H](C)C(=O)Nc2ccccc2F)c1 32907806 DGUBCCGQOBIPLW-LBPRGKRZSA-N 349.427 4.103 0 40 EIAB CCn1ncc2c(C(=O)N3CCCC[C@H]3C)cc(-c3ccccc3)nc21 36616837 UYRYLDYJTKWPPI-OAHLLOKOSA-N 348.450 4.133 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c(C)c1 38856145 FFNDOBDOUJFZLB-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB COc1cccc(NC(=O)CNc2ccc(SC(F)F)cc2)c1 46168731 YSHAQCAGZDPSTH-UHFFFAOYSA-N 338.379 4.061 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)cc1 46747217 WSENMBJHAMXVKD-KRWDZBQOSA-N 344.480 4.181 0 40 EIAB O=C(NC1CC1)c1ccc(NC(=O)N2CCCCCCC2)cc1Cl 47588404 AKWVSVFOYIPKLP-UHFFFAOYSA-N 349.862 4.030 0 40 EIAB Cc1noc([C@H](C)Sc2ncc(-c3ccccc3)n2C2CC2)n1 48261271 REQAUZYXPPLULZ-NSHDSACASA-N 326.425 4.430 0 40 EIAB Cc1ccc(F)c(NC(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)c1 69454992 GCOWFHDNBWLLDQ-ZDUSSCGKSA-N 338.386 4.407 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccccc3-c3nnc(C)o3)c[nH]c2c1 69533246 KNDUWQDWSKCZMY-UHFFFAOYSA-N 346.390 4.016 0 40 EIAB Cc1nc(CNC2(c3cccc(Br)c3)CCC2)oc1C 69593528 KNZRHVLXSMGQET-UHFFFAOYSA-N 335.245 4.223 0 40 EIAB O=C(CCn1ccc2ccccc21)Nc1nc(-c2cccnc2)cs1 71284478 NSVIIFMWFDVHRT-UHFFFAOYSA-N 348.431 4.189 0 40 EIAB Cc1ccc(OCc2nnc(SCCc3scnc3C)o2)cc1 71905493 PQBGJFFUFZPXLH-UHFFFAOYSA-N 347.465 4.057 0 40 EIAB CCOc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72211870 PUKBGTPXWIKFOU-GOSISDBHSA-N 340.423 4.344 0 40 EIAB Cc1csc([C@@H](NC(=O)NC2(c3cccc(F)c3)CC2)C2CC2)n1 74666622 USXAHOGVNZLEMP-HNNXBMFYSA-N 345.443 4.030 0 40 EIAB C[C@@H](NCc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 79000535 DKWCMJGEGLGWDF-MRVPVSSYSA-N 329.252 4.005 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1C1CCCC1 79623382 ZGHQLHFKCFKUCW-KRWDZBQOSA-N 339.439 4.206 0 40 EIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)OCC3CC3)cc2)o1 84247727 MPWIWZCPWZEFNB-UHFFFAOYSA-N 334.375 4.279 0 40 EIAB CCc1oc2ccccc2c1CN1CCC[C@H](c2nc(C)no2)C1 91832664 LVGPLCRCXHSPAE-AWEZNQCLSA-N 325.412 4.066 0 40 EIAB CC1(C)CCCC[C@H]1CC(=O)NCC1CCN(c2ccncc2)CC1 93066386 INWLGGMVSHOYJY-SFHVURJKSA-N 343.515 4.021 0 40 EIAB C[C@H](C1CC1)N(Cc1ccccc1)Cc1cc2ccccc2c(=O)[nH]1 95945707 NAMOHXUVCAGGKP-MRXNPFEDSA-N 332.447 4.329 0 40 EIAB O=C(/C=C/c1cccs1)NCc1cc(C2CC2)n(C2CCCC2)n1 96104066 KHZHPCKOFUHMDG-MDZDMXLPSA-N 341.480 4.267 0 40 EIAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(C(C)C)no1 96346575 ULNOKWLROYPLII-UHFFFAOYSA-N 337.379 4.121 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Sc2nncs2)cc1 106527476 WAOSZSOUYULJEW-AVGNSLFASA-N 345.493 4.454 0 40 EIAB Cc1nc(C(C)C)ncc1-c1nnc(Cc2ccc(Cl)cc2)o1 216616479 KRCPMEJTNCNBNT-UHFFFAOYSA-N 328.803 4.203 0 40 EIAB CCCOc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1 218980613 AESHLIKWEAYDJE-UHFFFAOYSA-N 343.492 4.447 0 40 EIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(C2CC2)nc1 222596501 OFYNSIJXAOXFSH-UHFFFAOYSA-N 341.720 4.279 0 40 EIAB CC(C)c1ccc(CCCNC(=O)COc2ccccc2F)cc1 222779931 SKEODJFSAJHIFF-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223197300 OYJIXMUFSPSJTB-ZIAGYGMSSA-N 343.854 4.473 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1 223782115 DWZAGLAQAPBOIP-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1C 225381454 QJAJBTLFZNCPBJ-UHFFFAOYSA-N 343.492 4.365 0 40 EIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2F)cc1N 226266064 CQZYIAAIGUNXPK-ZDUSSCGKSA-N 327.403 4.039 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1C 226861816 LTNMNEHVYSUJON-UHFFFAOYSA-N 337.444 4.356 0 40 EIAB Clc1ccc(-c2ccc(CN[C@@H]3CCn4ccnc4C3)cc2)cc1 582621096 DAEWMRGGKNTYQU-LJQANCHMSA-N 337.854 4.308 0 40 EIAB COc1cccc(C2(c3noc(C4(C)CCC(OC)CC4)n3)CC2)c1 585084292 BVMQXTIDFUVERY-UHFFFAOYSA-N 342.439 4.005 0 40 EIAB O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccccc1F 132465 SJGCMEASFGZFCJ-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CCc1ccc2nc(SCC(=O)N3CCC[C@H](C)C3)c(C)cc2c1 412477 XNLIESPVEILUBA-AWEZNQCLSA-N 342.508 4.456 0 40 EIAB Cc1cccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c1 530564 JGIVPVIBFZAAMM-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB Cc1sc2nc(SCc3ccc(F)cc3)n(C)c(=O)c2c1C 531908 FEWKKUAKHUOHGW-UHFFFAOYSA-N 334.441 4.043 0 40 EIAB Cc1ccc(-c2nc3c(C)cccn3c2NC(=O)c2ccco2)cc1 1095688 NCKRTEOHTWLJTD-UHFFFAOYSA-N 331.375 4.463 0 40 EIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1C 1508371 BTSSODQBDDJFBE-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB CC[C@@H](CNc1cc(OC)cc2cccnc12)NC1CCCCC1 1591915 BQBNRUUEFJVRMO-INIZCTEOSA-N 327.472 4.356 0 40 EIAB CC(C)=CC(=O)Nc1nc(-c2cccc(Br)c2)cs1 1791050 PPBLVABCXRBYRJ-UHFFFAOYSA-N 337.242 4.477 0 40 EIAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1cccc(O)c1 1916080 XGMHKJADIFKBOL-UHFFFAOYSA-N 336.391 4.478 0 40 EIAB C[C@@H]1CCc2c(sc3nc(SCc4ccccc4)[nH]c(=O)c23)C1 1973095 IAYGBZPVLNPCMG-LLVKDONJSA-N 342.489 4.402 0 40 EIAB Cc1ccsc1/C=C1/C(=O)N(C)c2ccc(Br)cc21 3224492 MEMSNXKZGHBDAL-XYOKQWHBSA-N 334.238 4.336 0 40 EIAB Cc1csc(N(C(=O)Cc2ccccc2F)c2ccccc2)n1 3346001 LQRXFSKCZASLLT-UHFFFAOYSA-N 326.396 4.498 0 40 EIAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 4668822 XBICEJGHKYSLPS-UHFFFAOYSA-N 344.819 4.150 0 40 EIAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1 4994102 SDVGSVLYCHUUPB-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB Cc1cc2c(SCC(=O)Nc3ccccc3C)ncnc2s1 5017196 YTTYJHYJLXGABT-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB CCCCN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 5552451 XHZNYXFJSRJQPI-XFXZXTDPSA-N 340.242 4.286 0 40 EIAB Sc1nnc(Cc2c[nH]c3ccccc23)n1-c1ccccc1Cl 5814172 FKNFRVQZHURJPH-UHFFFAOYSA-N 340.839 4.282 0 40 EIAB Cc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2)c1 7454364 JCAICBLPWBFSPM-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Oc1ccccc1 7747150 BYTCJLOJOSANKG-UHFFFAOYSA-N 347.201 4.391 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc3ccccc13)C2 8367577 YJZJYIUMOHABEX-UHFFFAOYSA-N 330.431 4.411 0 40 EIAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2)n1 8917607 AMAGTYRXPXOUAT-UHFFFAOYSA-N 325.796 4.022 0 40 EIAB CCc1ccccc1NC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2 9047435 IBXXBMPXOUWVSH-OAHLLOKOSA-N 327.424 4.409 0 40 EIAB Cc1cc(C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1 9245006 QRQCPXHQWQCVQG-UHFFFAOYSA-N 343.370 4.431 0 40 EIAB CC(C)[C@H](NC(=O)NC1CCCCCC1)c1ccc2c(c1)OCCO2 10409722 VOFYJVYSZLLCBW-IBGZPJMESA-N 346.471 4.177 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc2c1CCC2=O 11100756 RKOTUJNSCFMTOM-GFCCVEGCSA-N 343.810 4.183 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1 12090325 XTUCBBAEPVCUGZ-UHFFFAOYSA-N 349.390 4.147 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccccc2)CCCC1 12101274 NSRBOMANBZVXMN-UHFFFAOYSA-N 332.447 4.339 0 40 EIAB c1csc(-c2nc(N3CCCCCC3)ncc2-c2cnccn2)c1 12184698 HYPJOCNRTUIPKF-UHFFFAOYSA-N 337.452 4.043 0 40 EIAB O=C(CCn1ccc2ccccc21)N1CCC(c2ccc(O)cc2)CC1 12631780 YLGGZFKXISEAER-UHFFFAOYSA-N 348.446 4.143 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1ccccc1OC[C@@H]1CCCO1 12748121 SSZXGPWMHWPPJN-HNNXBMFYSA-N 331.799 4.150 0 40 EIAB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2)cc1 12761007 QVWXHWAUWFAXSU-UHFFFAOYSA-N 329.465 4.163 0 40 EIAB O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 12783948 DSLYXMYVCZONMI-UHFFFAOYSA-N 342.247 4.019 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCc1ccccc1OC(F)F 12825536 OPOHOPXOUAXEEG-UHFFFAOYSA-N 341.357 4.300 0 40 EIAB Cc1cccc(CS(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 13668496 STYCZXNLLDGXDB-UHFFFAOYSA-N 345.464 4.258 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccccc1Cl)O[C@H](C)C2 14023455 JCQQKTLFROYEGL-LLVKDONJSA-N 331.799 4.314 0 40 EIAB C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc2c(c1)CCCC2 14180348 UEOHMWSLBSNFSO-MRXNPFEDSA-N 336.479 4.118 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1cccs1 14186010 OSHOIJDJLVSJRZ-NSHDSACASA-N 346.452 4.431 0 40 EIAB Cc1ccsc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 15008686 DZLXCOCRRVUQCE-ZSOIEALJSA-N 333.409 4.432 0 40 EIAB Cc1ccc(-c2csc3ncnc(N4C[C@H](C)O[C@H](C)C4)c23)cc1 18152907 WCEVVRBRGKLOTP-OKILXGFUSA-N 339.464 4.280 0 40 EIAB Cc1nn2c(O)cc(-c3ccccn3)nc2c1-c1ccc(Cl)cc1 19582039 XMIAKZFFRCWTCH-UHFFFAOYSA-N 336.782 4.126 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 19932672 ASFMYTSPCGWLED-CQSZACIVSA-N 347.842 4.211 0 40 EIAB Clc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1Cl 22130765 LRTAEWIIYOUKFW-INIZCTEOSA-N 335.278 4.358 0 40 EIAB CCCc1ccc([C@H](NC(=O)CCNC(=O)C(C)(C)C)C(C)C)cc1 22847355 JJJJNAVJWWZSHB-LJQANCHMSA-N 346.515 4.005 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCCc2ccccc21 28644051 AJMZLVHNYZJXJK-OAQYLSRUSA-N 347.458 4.332 0 40 EIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Oc1cccc(F)c1 32768054 RLQFLIAMZVVRLL-UHFFFAOYSA-N 346.745 4.067 0 40 EIAB CO[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 32833858 JUXGKUYAOXJWBR-NRFANRHFSA-N 346.430 4.230 0 40 EIAB CCCC(=O)Nc1ccc(C(=O)c2cc3c(OC)cccc3o2)cc1 32869617 QWAURWRQIQQVQZ-UHFFFAOYSA-N 337.375 4.411 0 40 EIAB CC(=O)Nc1nc(CSc2ccc(Br)cc2)cs1 32896050 HNVYNDNGRANQQV-UHFFFAOYSA-N 343.271 4.156 0 40 EIAB CCc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1 32915079 KLNMLZDCBWBKFV-UHFFFAOYSA-N 349.430 4.489 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)cc2)cc1 36357805 OVQGLQGZOCEVRN-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)cc1 36613417 QULQWOFFYLMUCO-CYBMUJFWSA-N 337.345 4.062 0 40 EIAB CCCCN(CCCC)S(=O)(=O)c1ccccc1Br 37395581 FBPROQBJGATNEL-UHFFFAOYSA-N 348.306 4.040 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(Oc2ccc(F)cc2)nc1 40107069 YVPICVWHJKUWHZ-UHFFFAOYSA-N 338.338 4.031 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1C 44840083 MERHZGJRWGITRZ-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@H](c2ccc(O)cc2)SC1 44894189 DMYZCXVCOLRTQZ-KRWDZBQOSA-N 337.404 4.002 0 40 EIAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Br 47913112 MXQJESJRFDCRAV-UHFFFAOYSA-N 348.118 4.193 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(F)c(F)c1 48150218 QRSBZSXUKYOVHO-GFCCVEGCSA-N 342.349 4.033 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2cnc(-c3ccccc3)s2)on1 48354921 JFCWBJYDKCINKS-CQSZACIVSA-N 339.420 4.084 0 40 EIAB O=C(c1ccccc1F)N1CCC(Nc2ccc3ccccc3n2)CC1 58011477 UBFFXGYBHPNRGQ-UHFFFAOYSA-N 349.409 4.091 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H]2c2cccs2)c1C 58161266 XIIZHANUUHWHCE-DZGCQCFKSA-N 344.480 4.304 0 40 EIAB CC(C)c1ccc(C[S@@](=O)Cc2nc(-c3cccs3)no2)cc1 66296683 ARVJBLBWBCGNBW-QHCPKHFHSA-N 346.477 4.370 0 40 EIAB COC(=O)Nc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1F 66489546 ZEDSAKGPPVWAJB-UHFFFAOYSA-N 340.713 4.049 0 40 EIAB O=C(c1ccc(Br)cc1)c1cnc2ccc(F)cc2c1O 67172449 QFHUEPQBZZFNOU-UHFFFAOYSA-N 346.155 4.073 0 40 EIAB Cn1cnnc1-c1ccccc1NC(=O)c1cc(Cl)ccc1Cl 68727212 ZQRXOTSOJXKZOF-UHFFFAOYSA-N 347.205 4.041 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2cccs2)c1 69378330 MBVURAISMSUZJP-CQSZACIVSA-N 330.453 4.305 0 40 EIAB O=C(NC1(c2ccc(F)cc2)CCC1)c1cc(Cl)c2c(c1)OCO2 69493950 LCFRZLTUIPZALZ-UHFFFAOYSA-N 347.773 4.017 0 40 EIAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(-c2ccccc2)o1 71279295 QPMJPOXPGDBRAY-CYBMUJFWSA-N 337.379 4.141 0 40 EIAB C[C@@H](NC(=O)CCc1ccsc1)c1nc(-c2ccncc2)cs1 72275215 LBLPMAAQMNNXMZ-GFCCVEGCSA-N 343.477 4.077 0 40 EIAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)C3CCC3)n2)cc1 72357885 AWNPGHRLEBRLAW-OAQYLSRUSA-N 334.463 4.444 0 40 EIAB CCc1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)cc1 76555516 SBIQRQQADNEOKJ-UHFFFAOYSA-N 349.478 4.274 0 40 EIAB Fc1cccc(-c2nnc(CNc3ccc(Br)cc3)o2)c1 78949908 ZYFWLQXHVGAULV-UHFFFAOYSA-N 348.175 4.250 0 40 EIAB O=C(Nc1cc(F)c(F)cc1Cl)N[C@@H]1CCOC2(CCCC2)C1 89762010 PFCKUGROZHTCGR-SNVBAGLBSA-N 344.789 4.232 0 40 EIAB FC(F)C(F)(F)C(F)(F)COc1ccccc1Br 95094064 KTQVALXUFWNWNG-UHFFFAOYSA-N 337.057 4.364 0 40 EIAB O=C(CCCc1ccccn1)N1C[C@@H]2CCCC[C@]21c1ccccc1 95412750 ZVSLEFDUBNBAKS-UGKGYDQZSA-N 334.463 4.332 0 40 EIAB CCOC(=O)c1sc(N[C@H](C)c2ccc(F)cc2F)nc1C 95427475 GBLNVZIRUYQXQN-MRVPVSSYSA-N 326.368 4.080 0 40 EIAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc2ccc(O)cc12 95431485 IDTBXDSXXPOXAA-LLVKDONJSA-N 343.329 4.230 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(Cl)cc3)c12 97134668 SXWDHBSKWSHSKO-UHFFFAOYSA-N 342.782 4.419 0 40 EIAB CC1=NC[C@]23CC(=O)[C@H]4[C@@H](CC[C@]5(C)C[C@H](O)CC[C@]45C)[C@@H]2CC[C@H]13 118936322 VHGQZHONFLYAGQ-UDHQNBHYSA-N 343.511 4.030 0 40 EIAB CCOC(=O)Cc1cccc(C(F)(F)F)c1NC(=O)OC(C)(C)C 199816279 NRZQGRIEGYCSLS-UHFFFAOYSA-N 347.333 4.158 0 40 EIAB CSc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222617456 CTTHFEXFEVJKJC-UHFFFAOYSA-N 339.395 4.257 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 224289721 ASURFSYUDFBKBN-OALUTQOASA-N 348.475 4.204 0 40 EIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@H]12 225693053 DAVJIYRGNCDSPN-CAMMJAKZSA-N 335.447 4.376 0 40 EIAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CCC[C@@H]1c1ccc(Cl)cc1 226076879 NPRKYUDASVOQTF-ZIAGYGMSSA-N 339.819 4.255 0 40 EIAB Cc1cc(Br)cc(C)c1C(=O)C(F)(F)Br 308830199 SVYGMFGMMCIBRI-UHFFFAOYSA-N 341.977 4.236 0 40 EIAB CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1cccc(C(=O)O)c1 685937472 WLAOVALSMYQYLF-UHFFFAOYSA-N 341.407 4.322 0 40 EIAB Cc1ccc(-c2cc(C(=O)N[C@@](C)(Cc3ccccc3)C3CC3)n[nH]2)o1 1570390454 QRRVWYUAYDIAPN-NRFANRHFSA-N 349.434 4.119 0 40 EIAB O=C(Nc1ccccc1)N1CCC[C@H](COc2ncccc2Cl)C1 1890131639 SWTFZINRHREINQ-AWEZNQCLSA-N 345.830 4.058 0 40 EIAB Cc1c(-c2ccc(O)cc2)c(=O)oc2ccc(Br)cc12 57827 GUYIOBAUSCWMBT-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB biogenic,in-vitro Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1C 131946 RXTVOMLXBLVLHN-UHFFFAOYSA-N 331.799 4.061 0 40 EIAB Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1C 189447 UJAKPGKDDYKRCY-UHFFFAOYSA-N 329.469 4.254 0 40 EIAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 510947 WHDGQXXUELGSCD-UHFFFAOYSA-N 330.387 4.120 0 40 EIAB CCC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12 560813 OILYBAQGZJLRGB-UHFFFAOYSA-N 334.419 4.490 0 40 EIAB CCc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 577748 YFLLUDJEEBGUHZ-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 2499122 FLJXFYGZLNWJDM-LBPRGKRZSA-N 331.437 4.254 0 40 EIAB C[C@H]1CCCCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 3283471 UNDWBEVAWGGZFA-ZDUSSCGKSA-N 339.464 4.026 0 40 EIAB O[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1cnc2ccccc21 4623980 FVNVSVXMBNUQRQ-LJQANCHMSA-N 344.414 4.143 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 5788600 JTFAPYUEBOLXAA-CXUGJCBMSA-N 333.516 4.176 0 40 EIAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(-c2ccccc2)cc1 6012100 XIENSYYHUCZNCB-OUKQBFOZSA-N 347.370 4.142 0 40 EIAB COc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)c1 6331840 HSCPZEGCDLRKHB-UHFFFAOYSA-N 332.812 4.140 0 40 EIAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F 7056190 ZFOCMFFNUGYQNI-UHFFFAOYSA-N 327.808 4.403 0 40 EIAB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C)c2)cc1 7602779 LJAWAPWNLGJEBI-UHFFFAOYSA-N 327.858 4.171 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ncc(C)s2)cc1OCC 8073610 DDXCMZBIXCNAJF-UHFFFAOYSA-N 334.441 4.281 0 40 EIAB Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1F 8260085 YDWRZZFOKCGWGF-UHFFFAOYSA-N 346.745 4.195 0 40 EIAB C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1cccs1 8706695 FVKHPXLTBBLSGS-SECBINFHSA-N 346.399 4.131 0 40 EIAB O=S(=O)(c1ccc(C2CCCCC2)cc1)n1cnc2ccccc21 9061828 VKGWQVNFFWGUGH-UHFFFAOYSA-N 340.448 4.321 0 40 EIAB O=C(COc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 9447687 IYVUPRIXWGVKCB-MRXNPFEDSA-N 338.432 4.039 0 40 EIAB O=C(C1CCCCC1)N1CCC(c2onc3c2CCCCC3)CC1 12119955 ZDGREKBVGLKMSR-UHFFFAOYSA-N 330.472 4.230 0 40 EIAB CC(C)C(=O)Nc1cccc(CNC(=O)c2c(F)cccc2Cl)c1 12981003 IQTPFWXGKMLGOK-UHFFFAOYSA-N 348.805 4.004 0 40 EIAB Cc1ccc(NC(=O)Oc2ccc3ccc(=O)oc3c2)cc1Cl 13149308 GMMGSHNFSUDOCY-UHFFFAOYSA-N 329.739 4.366 0 40 EIAB CC(=O)NCc1ccc(-c2nc(-c3cccc(F)c3)sc2C)o1 14103261 MJNZPMLFRYXPOA-UHFFFAOYSA-N 330.384 4.154 0 40 EIAB CCN1C(=O)[C@@H](Cc2cccc(F)c2)c2cc(Br)ccc21 15018154 DEXKSMRKFJGDDJ-HNNXBMFYSA-N 348.215 4.281 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CNCc1ccccc1Cl 17310509 QPPZYYCFFSNGBG-UHFFFAOYSA-N 325.843 4.432 0 40 EIAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 19927125 COAUVGSDHFECQS-KRWDZBQOSA-N 333.840 4.123 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1F)c1cccc(Br)c1 20029747 OXQSCFLWMDLSJD-VIFPVBQESA-N 340.167 4.218 0 40 EIAB O=C(NC1CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 20102761 BNJONLFTUMBVPP-UHFFFAOYSA-N 334.891 4.001 0 40 EIAB Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1C(=O)O 20151189 HYRVDTCWJJRXPA-UHFFFAOYSA-N 335.812 4.077 0 40 EIAB CC(C)CC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411027 KLJGYPUMWMBDBP-UHFFFAOYSA-N 343.408 4.126 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1ccc(Cl)s1 28410604 SYMNZGFDTCAHDB-JQWIXIFHSA-N 336.844 4.286 0 40 EIAB Cc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2ccccc2)no1 32072620 IUNQDELVAFXGTK-UHFFFAOYSA-N 342.424 4.153 0 40 EIAB O=C(Oc1ccc2c(-c3ccc(F)cc3)noc2c1)c1ccncc1 32094650 AOCBWBCZMZNCKZ-UHFFFAOYSA-N 334.306 4.248 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccs1 32747940 OFJJVXCRVBAYGU-ZDUSSCGKSA-N 348.468 4.135 0 40 EIAB Cc1cc(NC(=O)c2cc(Cl)ccc2F)n(Cc2ccccc2)n1 32754180 SCEANJNUNFHJKC-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB Clc1cc(Cl)cc(-c2nn3c(-c4cccnc4)nnc3s2)c1 36354549 BJWRLMAZHNGASU-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCSc1ccc(Cl)cc1 38752807 REORVDMFEWRJOA-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB COc1cc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cc(OC)c1OC 39979627 IMBLOKVOKWQGAT-HOTGVXAUSA-N 335.488 4.407 0 40 EIAB CC(C)OCc1cccc(CNC(=O)C[C@@H](C)c2ccccc2)c1 40122275 JZUOXZMDJJYRRL-QGZVFWFLSA-N 325.452 4.422 0 40 EIAB O=S(=O)(Cc1cccc(Cl)c1)Cc1cc(-c2ccccc2)on1 44636965 YDBJNCZXGSICBF-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)n[nH]2)cc1 44839088 NBPUZCBPORGUND-UHFFFAOYSA-N 343.789 4.108 0 40 EIAB CCOc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45889385 JVVSFUNABQALOZ-UHFFFAOYSA-N 341.436 4.146 0 40 EIAB Cc1nc2cc(C(=O)Nc3ccc(Br)cc3)ccc2o1 49677132 BGQGPKRSPFJZBE-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB CCOc1ccc2c(c1)cc(C(=O)Nc1cc(C)ccc1F)n2C 49728965 VMXQUCYNBCMILF-UHFFFAOYSA-N 326.371 4.277 0 40 EIAB CC(C)c1ccc(-c2noc(CSC(=S)N3CCCC3)n2)cc1 60697568 BDZCGRDJHUSPLP-UHFFFAOYSA-N 347.509 4.474 0 40 EIAB Cc1cc(C)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1 60791560 HVRRRZXRYKDHCS-OAQYLSRUSA-N 343.430 4.465 0 40 EIAB c1ccc2c(OCCn3cnc4cc5c(cc43)OCCO5)cccc2c1 64794876 KHFISGFEGPQKNU-UHFFFAOYSA-N 346.386 4.040 0 40 EIAB Cc1cc([C@@H]2CCCN2Cc2nc(-c3ccsc3)oc2C)on1 69490908 XVOARWDAELZSCF-HNNXBMFYSA-N 329.425 4.345 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccnc(Oc2ccccc2)c1 69745093 VRUUMOKVVGEQGT-GFCCVEGCSA-N 337.379 4.221 0 40 EIAB Cc1cc(CN(C)C(=O)Nc2c(Cl)cc(C)c3ncccc23)no1 69775620 WPTUIFKWVYNMHD-UHFFFAOYSA-N 344.802 4.157 0 40 EIAB Cc1nc(N2CCc3ccccc3C2)ccc1[C@H](O)c1ccccc1 72224935 SXDABTYZAYPVCX-JOCHJYFZSA-N 330.431 4.034 0 40 EIAB COC(=O)Nc1ccc(O[C@@H](C)c2nnc(-c3cccs3)o2)cc1 72311200 HLVACZJHOCDJPI-JTQLQIEISA-N 345.380 4.116 0 40 EIAB Fc1ccc(CN2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1 72376212 AIUVCZRMJFDCJQ-GOSISDBHSA-N 349.413 4.091 0 40 EIAB C[C@H](NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 73005577 FWBIXFSIOXTFKM-HNNXBMFYSA-N 349.409 4.324 0 40 EIAB Fc1c(F)c(F)c2c(c1F)OC(Cl)(Cl)C(Cl)(Cl)O2 91252134 FCZZGLKZBWLBED-UHFFFAOYSA-N 345.890 4.277 0 40 EIAB CCCCOc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C 95095404 PCFDAUYVSQNTJM-MRXNPFEDSA-N 329.444 4.347 0 40 EIAB CC[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)c1ccc(OC)cc1 95445220 FIAATPKBGVCVGS-MRXNPFEDSA-N 326.371 4.197 0 40 EIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 96658922 KFMUWIKZIHSODL-UHFFFAOYSA-N 331.481 4.195 0 40 EIAB Cc1nnc(CCC[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)o1 97379550 UEXQRCMDDIMKMO-BTKVJGODSA-N 347.267 4.127 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 100752938 BMSMPYBXRWNIIJ-UVHORLCMSA-N 331.500 4.103 0 40 EIAB biogenic O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc(Cl)cc1Cl 102326919 SCGBZCGXHBLFEM-FPMFFAJLSA-N 326.267 4.478 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104489162 YNAGVHDXBFFZOT-PRRWTPNDSA-N 337.548 4.232 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 113968852 WCZGMRNKUQVLDA-AWEZNQCLSA-N 347.842 4.131 0 40 EIAB C[Si](C)(C)c1c(C(F)(F)F)cc(C(=O)O)c(Cl)c1Cl 195983962 GTVGPHVELNLVJL-UHFFFAOYSA-N 331.193 4.256 0 40 EIAB Cc1nc2ccccc2nc1S[C@@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 221829362 GCSYATYZPFDPDT-SMNXXWJPSA-N 326.465 4.424 0 40 EIAB COc1ccc(CCC(=O)NCc2ccc3ccccc3c2)cc1C 222818313 QOZLRRAQFRKXOY-UHFFFAOYSA-N 333.431 4.406 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(F)cc1)CC(C)(C)O2 223271713 YOBISJVTCQWXJK-KRWDZBQOSA-N 327.399 4.095 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccccc1Cl 223411764 RJZCQLWVWBDASL-CQSZACIVSA-N 349.883 4.157 0 40 EIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)cc2C)cc1 225263680 NOZUBEFWVZQGSR-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB S=C(NCc1ccccc1)Nc1ccc(OC2CCCC2)cc1 225280122 OSRMAVMAGCGGTM-UHFFFAOYSA-N 326.465 4.495 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225624710 LPMOSIBYRVNUIL-CYBMUJFWSA-N 346.268 4.431 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1Cl 225726150 HTAZQOYVVRUKPM-QGZVFWFLSA-N 325.836 4.273 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccc(Cl)c2)S1 260759419 GLFJGAVLFDYZGY-XFBWCDHKSA-N 329.856 4.324 0 40 EIAB O=C(c1cccc(Br)c1)N1CC[C@H](c2cccs2)C1 820305021 GJLNCEUUKFDMCE-LBPRGKRZSA-N 336.254 4.140 0 40 EIAB CN(C)Cc1noc2ccc(NC(=O)Nc3ccccc3Cl)cc12 1888962479 UTCGSRCDMORXQP-UHFFFAOYSA-N 344.802 4.187 0 40 EIAB CCSc1nc2c(c(=O)n1-c1cccc(Cl)c1C)CCCC2 2087069740 ADUKUZDECMKJRJ-UHFFFAOYSA-N 334.872 4.185 0 40 EIAB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccccc1F 201397 KCJHYVRTTFTJFF-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB CCOc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1 318339 NUBUQFGLWLBZBV-UHFFFAOYSA-N 336.391 4.457 0 40 EIAB O=C(COc1ccccc1Cl)Nc1nc2ccc(F)cc2s1 1261962 KHBKMCIKCMIGHM-UHFFFAOYSA-N 336.775 4.106 0 40 EIAB O=C(c1cccnc1SCCC(F)=C(F)F)N1CCCCC1 1402594 MMNUQXFVUHCKBU-UHFFFAOYSA-N 330.375 4.268 0 40 EIAB CC1CCN([C@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 1555484 NPQYEFLERKBEHZ-HXUWFJFHSA-N 335.447 4.243 0 40 EIAB Cc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2Cl)s1 3047035 FSWSGVHYEPMQTB-UHFFFAOYSA-N 334.750 4.054 0 40 EIAB CC(C)C[C@@H]1CC(=O)c2sc(NC(=O)c3cccs3)nc2C1 3108037 ADIXZMDGKXMZJC-JTQLQIEISA-N 334.466 4.248 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 3377929 IXJPNJOATYOJII-KRWDZBQOSA-N 339.435 4.486 0 40 EIAB Fc1ccccc1Nc1nnc(SC[C@H]2CCCCO2)s1 3469171 RQIOVUCXPZGETB-SNVBAGLBSA-N 325.434 4.082 0 40 EIAB O=C(COc1ccccc1F)Nc1ccccc1C(=O)c1ccccc1 5859641 JBXOYUKBYDIMBT-UHFFFAOYSA-N 349.361 4.074 0 40 EIAB COc1ccc(CN[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 6652392 ZCRBTLZFDSYBPL-SFHVURJKSA-N 341.480 4.156 0 40 EIAB CCOc1ccc(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc1 7028511 TVQZEVMWNMIYND-CYBMUJFWSA-N 343.448 4.407 0 40 EIAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)(C)C)cc21 8959759 VGYIPLDUHMHCBO-UHFFFAOYSA-N 346.471 4.079 0 40 EIAB O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503763 VFZRNYIBDZQIJV-ZDUSSCGKSA-N 339.826 4.236 0 40 EIAB Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2)C2CC2)cc1 11234067 UZMGNSQAWSTKRE-IBGZPJMESA-N 329.827 4.295 0 40 EIAB Cc1cc(C(F)(F)F)nc2nc(NC(=O)c3cccs3)ccc12 12113580 PKRQRIKDVLQZMA-UHFFFAOYSA-N 337.326 4.271 0 40 EIAB CC(C)n1ncc2c(C(=O)N[C@@H](C)c3ccccc3)cc(C3CC3)nc21 12743084 HLLKRFUHBXOSHK-AWEZNQCLSA-N 348.450 4.381 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CCCC1 13803065 AXXLTDSEAHQAHF-UHFFFAOYSA-N 349.883 4.409 0 40 EIAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2cccs2)on1 14140559 OCFXZNONABVYSG-UHFFFAOYSA-N 336.319 4.257 0 40 EIAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1Cl 14153423 QIKXWUDRIWQMFD-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccnc1Cl 20143556 KKPTZJHAKCCIFC-UHFFFAOYSA-N 342.782 4.048 0 40 EIAB CCOc1ccc(C(=O)N2C(=S)CSc3ccccc32)cc1 28527770 DXFKTRKMKQGAPH-UHFFFAOYSA-N 329.446 4.165 0 40 EIAB COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCCc2ccccc21 28643757 UMIRGAAKQXWMLF-QGZVFWFLSA-N 329.827 4.085 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1 28909433 GVUFHWWYNFLXQP-LLVKDONJSA-N 341.436 4.052 0 40 EIAB O=C(CNc1ccc(OC(F)F)cc1)Nc1cccc2ccccc12 29396984 FGUQJIQVDAURGN-UHFFFAOYSA-N 342.345 4.492 0 40 EIAB Cc1ccc(-c2cc(CSCC(=O)NCCC(C)C)on2)cc1 30527455 UGNXCKFTGCBRDV-UHFFFAOYSA-N 332.469 4.046 0 40 EIAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 30754935 HTNMBDNJFDPXAJ-HNNXBMFYSA-N 329.465 4.282 0 40 EIAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 32845198 WPKUZMKFFPYSRP-AOOOYVTPSA-N 340.320 4.364 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)n1 33125113 NVZRTNIAMZKOJG-UHFFFAOYSA-N 335.432 4.255 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 33535989 YIMLMAOXIDIHSZ-GOSISDBHSA-N 337.463 4.244 0 40 EIAB Clc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1Cl 35316218 PESUIPBAPAUJNS-UHFFFAOYSA-N 335.146 4.439 0 40 EIAB CCOc1ccc(CN(CC)C(=O)c2sccc2C)cc1OC 39975999 ZETIVUGEXSMGJN-UHFFFAOYSA-N 333.453 4.126 0 40 EIAB Fc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 40086365 CXDQJWVKJLCDSN-FQEVSTJZSA-N 335.426 4.238 0 40 EIAB O=C(CCCOc1ccccc1)NCCOc1ccc2ccccc2c1 43733227 BZVUGRLETSQLIB-UHFFFAOYSA-N 349.430 4.194 0 40 EIAB Cc1ccoc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 55647112 NGAXOWFLMRKZQX-HNNXBMFYSA-N 336.391 4.053 0 40 EIAB CC(C)c1nnc(CN2CCc3sccc3[C@@H]2c2ccccc2)o1 58245998 RKEVQGKKHRIKRZ-SFHVURJKSA-N 339.464 4.402 0 40 EIAB O=C(CC(F)(F)F)Nc1ccc(Cl)cc1NC(=O)c1ccco1 58264035 IYBUBEZYQGIRHV-UHFFFAOYSA-N 346.692 4.076 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1(C)C 65493380 ICYFQUSHKHYEBU-YOEHRIQHSA-N 327.403 4.188 0 40 EIAB Clc1ccc(-n2ncc3c(N4CCCCC4)nc(Cl)nc32)cc1 67172372 CPIQGPXDCAENKV-UHFFFAOYSA-N 348.237 4.113 0 40 EIAB Cc1noc(C)c1CNC(=O)CS[C@@H](C)c1ccc(Cl)cc1 71882590 ZLFSXQCNVFREAO-LBPRGKRZSA-N 338.860 4.055 0 40 EIAB CNc1cc(C)c([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72219070 LRWYSGCIFSNIDJ-SFHVURJKSA-N 339.439 4.296 0 40 EIAB O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@H](c2ccn[nH]2)C1 72299569 QLVWPBNPHOULNV-ACBHZAAOSA-N 337.467 4.090 0 40 EIAB Fc1ccc(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1F 72369831 WFXGJIZWTOSDIT-OAHLLOKOSA-N 341.361 4.004 0 40 EIAB CC1=Nc2c(c(C)nn2-c2ccc(C(=O)O)cc2)[C@H](C(C)C)S1 72402928 NNNIRAMHFXEIFD-HNNXBMFYSA-N 329.425 4.373 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C 84195454 LWDANIZZCLRXGS-NVXWUHKLSA-N 327.428 4.010 0 40 EIAB C[C@H]1CCCCN1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 90399057 HBTWYTKLXFEOBB-PXNSSMCTSA-N 335.447 4.385 0 40 EIAB O=[S@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1 95419049 YLGSVHOKJCRKNA-JOCHJYFZSA-N 345.411 4.488 0 40 EIAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 96058318 CZFQZRXQKFPSLD-UFYCRDLUSA-N 326.509 4.359 0 40 EIAB CC(C)(C)c1n[nH]cc1CNCc1nc(-c2ccccc2)cs1 97159631 QZQJEMFGEJTLOZ-UHFFFAOYSA-N 326.469 4.121 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cc(C)ccc1C 113960271 FPGXPAHXKAVFBV-MAUKXSAKSA-N 329.415 4.477 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)C2)cc1 206884766 OCSXGQWLJYKGIH-WOGUSJMUSA-N 325.452 4.004 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 219543731 LTTRVPXCGWTHGO-SFHVURJKSA-N 325.452 4.128 0 40 EIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223369422 VOZHXXDXURKKLR-MOPGFXCFSA-N 349.459 4.156 0 40 EIAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2)c1 224091803 AMCDPZFARLFVKC-OAHLLOKOSA-N 327.424 4.193 0 40 EIAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 224601802 JQNIPRYWLCSEOI-CYBMUJFWSA-N 337.872 4.083 0 40 EIAB CCOc1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 225077933 WSZBNCTZQWDKES-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB Cc1ccc(NC(=S)Nc2ccc(F)cc2)cc1N1CCCC1=O 225460392 CUDKMWIQUBEALX-UHFFFAOYSA-N 343.427 4.070 0 40 EIAB CCOc1cc(CNC(=S)Nc2ccc(C)c(C)c2)ccc1OC 225769975 RQRHNNFTXYBUAT-UHFFFAOYSA-N 344.480 4.197 0 40 EIAB C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc2c(F)cccc2c1 582196043 GCKLWESSZVZNCJ-RDJZCZTQSA-N 348.421 4.467 0 40 EIAB Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2)n1C 109306 SACVVOSDOBZNDN-UHFFFAOYSA-N 347.447 4.026 0 40 EIAB CC(=O)Nc1cccc(Oc2ncnc3sc4c(c23)CCCC4)c1 1465696 BGQRYLZEHJWNAI-UHFFFAOYSA-N 339.420 4.321 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1 1914183 KBTBJPOIIVTWOW-AWNIVKPZSA-N 338.407 4.086 0 40 EIAB Cc1cccc(-n2c(C)nnc2SCCOc2ccccc2)c1 2128471 OITLIEIQPAZISS-UHFFFAOYSA-N 325.437 4.055 0 40 EIAB COc1ccc(CCC(=O)Nc2nc3ccc(C)cc3s2)cc1 2622572 LKTQXGVIXPICDN-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(SC(F)F)cc1 3256620 GXSXNTZRFALJLS-GHMZBOCLSA-N 345.484 4.466 0 40 EIAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cl)cc3)c2cc1C 5077437 JDKUYLCCQDSNQW-UHFFFAOYSA-N 342.778 4.420 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(C)c(C)c3O)[nH]n2)c1 5343574 PNPJKFSOTLZGGZ-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB O=C(CSc1cc(Cl)ccc1Cl)NCc1cccs1 6080401 FUZGMOKDOHRTAX-UHFFFAOYSA-N 332.277 4.463 0 40 EIAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCCCCC3)c2Cl)cc1 6083408 ONVFJVFYUTXMMA-UHFFFAOYSA-N 345.874 4.218 0 40 EIAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6152006 NGVPBKMSIRNQMN-UHFFFAOYSA-N 338.451 4.051 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1nc(Cl)ccc1Cl 6649172 ITTMZVBQSVTXSZ-LLVKDONJSA-N 339.247 4.355 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1 7775853 NERRRVBQHDXSTA-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1C 9461241 JTCONNVQQIRHAP-UHFFFAOYSA-N 348.446 4.279 0 40 EIAB Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1N1CCCC1=O 11682001 OYOSHMJURFHLBJ-UHFFFAOYSA-N 348.446 4.253 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1F 11916917 MPKNJAJUKRWQTF-UHFFFAOYSA-N 346.387 4.016 0 40 EIAB CCOCCCNc1c(C)c(C)nc2c(-c3cccs3)c(C)nn12 12113365 GANLBFMBJZWSPX-UHFFFAOYSA-N 344.484 4.222 0 40 EIAB COc1cccc(CNC(=O)C2(c3cccs3)CCCCC2)c1 12158361 SKXAXAVIDUQBDF-UHFFFAOYSA-N 329.465 4.275 0 40 EIAB O=C(c1ccccc1F)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188008 SEGYDDHUOUVLFC-QGZVFWFLSA-N 334.394 4.394 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(F)c3)o2)cs1 12619740 HVFKMHJXKBIRLP-UHFFFAOYSA-N 330.384 4.089 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12890303 FYYJEXIBDYXMNN-SFHVURJKSA-N 345.826 4.238 0 40 EIAB Cc1cccc(-n2ncc(C(=O)Nc3nc4ccccc4s3)c2C)c1 12934318 YQODPRFXAQBMMJ-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB Fc1ccccc1CNC(=S)Nc1ccc(Br)cc1 13937067 DMORZNBGRDFNNW-UHFFFAOYSA-N 339.233 4.075 0 40 EIAB COc1ccc([C@](O)(c2ccccc2C)c2ccccc2OC)cc1 17149199 ZLBMSKBKGPNEPE-QFIPXVFZSA-N 334.415 4.296 0 40 EIAB CN1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19588874 TVHNMYQZXZGOCY-IBGZPJMESA-N 345.450 4.439 0 40 EIAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)cc1 22784025 RPYCPFOIXXUWJP-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB Cc1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 24777682 SUIUZSHHCYZCRR-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CCOc1ccccc1NC(=O)Cc1c(C)[nH]c2ccc(F)cc12 24860717 NUEXDOFHEIZLRJ-UHFFFAOYSA-N 326.371 4.195 0 40 EIAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1cccs1 27923064 TYRURIAOIDTEFT-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 29146520 MVFYTOYQQPJLDA-UHFFFAOYSA-N 343.383 4.041 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)C1(C)C 32282650 COQILXKXMUTOMO-ZSZQSSIHSA-N 343.467 4.264 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1SCC(F)(F)F 32907863 ABPZNVXLNUGNID-ZYHUDNBSSA-N 332.391 4.045 0 40 EIAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)cc1 32999925 WCNGGQIYQYBREF-UHFFFAOYSA-N 331.371 4.352 0 40 EIAB CCc1noc(-c2ccccc2NC(=O)c2ccccc2Cl)n1 33012690 YZSBGMZSFOCAIU-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)c(C)c1 33907204 NIULVFSIQSIPMP-GZTJUZNOSA-N 338.432 4.409 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@H](c3cccc(O)c3)O2)C1 40450004 ISFDSEQAKHNOGE-LPHOPBHVSA-N 333.428 4.013 0 40 EIAB COc1cc2c(cc1C(=O)Nc1ccc(C)c(Cl)c1)OCCCO2 46077916 IEFYVXXKGSUYAU-UHFFFAOYSA-N 347.798 4.071 0 40 EIAB CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 48239902 RMDPYNMNZMEWGX-ZDUSSCGKSA-N 329.400 4.111 0 40 EIAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nc(C2CC2)cs1 49657999 WCEPSTRLYGJOGF-UHFFFAOYSA-N 330.457 4.102 0 40 EIAB CCc1nc2cc(NC(=O)CCc3ccc(OC)c(F)c3)ccc2o1 58015062 QXAWIPZWKDYXDB-UHFFFAOYSA-N 342.370 4.109 0 40 EIAB CC(C)c1ncc(-c2cc(C(=O)N(C)C(C)C)c3ccccc3n2)cn1 63835532 SPQNOIWWOKZAMX-UHFFFAOYSA-N 348.450 4.296 0 40 EIAB CCCCC[C@H](O)/C=C/[C@H]1O[C@H]1CCCCCCCC(=O)OC 64220130 KFOCHZHHOIMDSQ-YXQRUGASSA-N 326.477 4.155 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cl)s1)c1nc(-c2ccncc2)cs1 69776115 LIROSDWVPOPXSY-SECBINFHSA-N 349.868 4.411 0 40 EIAB Cc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359426 GGCQLRLORIEJRY-LJQANCHMSA-N 344.462 4.227 0 40 EIAB CSCc1nnc(S[C@@H](C)Cc2nc3ccccc3s2)o1 75105917 JHRMNNSYCHTOPX-VIFPVBQESA-N 337.495 4.266 0 40 EIAB COc1ccc(-n2c(C)nnc2SCCCc2ccccc2)cc1 75338655 HETQYLCNKFRLFL-UHFFFAOYSA-N 339.464 4.309 0 40 EIAB C1=C[C@H]2[C@@H](C1)[C@@H]1C[C@@H]2[C@H](OCCO[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1 100197774 PSUKSRYRAXNSIY-BIXNILLTSA-N 326.480 4.221 0 40 EIAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)C[C@H](C)CCc1ccccc1 108456744 LDCOVOLPMKTGPD-IKGGRYGDSA-N 325.456 4.228 0 40 EIAB Cc1cccc(CSCCNC(=O)c2ccccc2OC(C)C)c1 219733443 MFJHTZYXCAFBSF-UHFFFAOYSA-N 343.492 4.445 0 40 EIAB Cc1cc(NC(=S)NCc2ccccc2Cl)ncc1Cl 223933464 IMLZPXGXSUHGKO-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(N)c1 226347395 NIUNUCLMKCIWTB-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccnc1C1CC1 390833569 JLZFHDUIJWJDQJ-UHFFFAOYSA-N 346.390 4.139 0 40 EIAB CC1=N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)O1 408808101 DDBQQZHZANDTQZ-VCHYOVAHSA-N 334.350 4.145 0 40 EIAB Cc1cccc(Cl)c1NC(=O)c1cnc(-c2cccnc2)s1 564107461 HSYKOBMYPOSGIH-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1c(CN[C@H](Cc2c(F)cccc2Cl)c2ccco2)cnn1C 1616037010 DUZCGSYUEPZYRT-QGZVFWFLSA-N 347.821 4.188 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 53053 QWQABDQXMSDRSZ-DGCLKSJQSA-N 342.222 4.003 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)c1 134468 HYEADGFZORNDRY-LLVKDONJSA-N 348.855 4.174 0 40 EIAB CCc1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 214820 OEEUDXNMUZTEFV-KVWWFHCMSA-N 344.499 4.155 0 40 EIAB CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1 347398 BVHKZXBRUYQOSI-UHFFFAOYSA-N 329.490 4.394 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 525593 FMNPCVNWRFPDCA-ZPAWYTMASA-N 328.452 4.483 0 40 EIAB in-vitro O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1 819399 DXJZSITZSSFXCA-UHFFFAOYSA-N 333.800 4.063 0 40 EIAB CCCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 3906186 YOMRIEHCCXJHIA-KRWDZBQOSA-N 325.387 4.363 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc1 4276096 NMXICTQJVKTYJW-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C1CCCC1 4305466 BSBIWFUNXFWYGQ-GOSISDBHSA-N 340.492 4.158 0 40 EIAB COc1cc(Cl)c(C)cc1-n1c(=S)[nH]c2ccccc2c1=O 4865169 BZZSSTOXBSOHQZ-UHFFFAOYSA-N 332.812 4.019 0 40 EIAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 4871528 CMFJXPFWMDMVPG-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1N1CCCC1=O 5440673 XDBIWUKJOQGCGV-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)c(-c2ccccc2)o1 5959719 DARBCOBOCAAKBD-UHFFFAOYSA-N 335.359 4.134 0 40 EIAB COCc1c(C(=O)NCc2ccc(C)cc2)sc2cccc(F)c12 6789413 BAFIQZGUBSJGGV-UHFFFAOYSA-N 343.423 4.425 0 40 EIAB CCCCCNCc1cc(Br)c(OCC)c(OC)c1 7261225 GXMQIUOWIYGPKE-UHFFFAOYSA-N 330.266 4.136 0 40 EIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cccc(F)c1 7580634 AANSUMJYXXGOMC-UHFFFAOYSA-N 344.411 4.121 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 7871770 PJQQVDAJTCUHQY-CYBMUJFWSA-N 349.883 4.488 0 40 EIAB O=C(COc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 7890160 ZAXQBDDCEIORJO-IBGZPJMESA-N 341.407 4.172 0 40 EIAB COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCCC[C@H]23)c1OC 8169005 ZNYZKSLNUJUXPT-UPRAQXHNSA-N 343.398 4.477 0 40 EIAB O=C(Cc1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1 8189807 BASCUFQTDUQLQB-UHFFFAOYSA-N 330.359 4.270 0 40 EIAB C[S@](=O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl 8490447 POURLHWPIAISRS-OAQYLSRUSA-N 343.231 4.088 0 40 EIAB Cc1occc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 8724815 ICMLIBRFKRMSGA-UHFFFAOYSA-N 341.367 4.356 0 40 EIAB Cc1ccccc1OCCSCC(=O)N[C@H](C)c1ccc(F)cc1 8734354 PJZREIVEMGKXGQ-OAHLLOKOSA-N 347.455 4.124 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)c(OC)c1 8754812 MIULUNSRAJKHJW-HWKANZROSA-N 337.419 4.235 0 40 EIAB CSc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 8878543 RIVOKACETMZSKX-UHFFFAOYSA-N 332.475 4.388 0 40 EIAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C3CCCC3)ccc1O2 9134957 MAJQPDLEBQFBOJ-UHFFFAOYSA-N 336.391 4.482 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2Cl)c2cnn(C(C)C)c2n1 10808788 FWYPRFDMKWZRDK-UHFFFAOYSA-N 328.803 4.226 0 40 EIAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(C)(C)C)cc1 12528245 NAIJMTWOOLCBPI-LJQANCHMSA-N 338.451 4.197 0 40 EIAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 13796597 IERPKSAQPVBYCB-UHFFFAOYSA-N 328.437 4.452 0 40 EIAB CCCOc1ccccc1NC(=O)c1cccc(NC(=O)OCC)c1 15610918 ARTUUSBYTDDKTJ-UHFFFAOYSA-N 342.395 4.296 0 40 EIAB N=C1N=C(N2CCCCC2)S/C1=C/c1ccc2ccccc2c1O 16526021 BASHBPMZLFQARX-OLKMIDAGSA-N 337.448 4.452 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C(C)C 16780046 JOACTTDMLJGZNA-PBHICJAKSA-N 339.501 4.066 0 40 EIAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 18264501 RKBAQWSJYCZYND-GFCCVEGCSA-N 341.794 4.178 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2cccc(Cl)c2Cl)c1 20447823 OGAOZIGKMZYFEJ-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2ccnc2)cc1 21920924 GBURBXCGVWULOU-LBPRGKRZSA-N 343.789 4.156 0 40 EIAB COc1ccc(CC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 22527206 AMXNPNHNISOXDT-HXUWFJFHSA-N 341.451 4.150 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)C1(c2ccccc2)CC1 22976961 OHHKNVQZFGCACQ-UHFFFAOYSA-N 334.444 4.158 0 40 EIAB C[C@@H](NC(=O)c1ccccc1OCc1ccccc1Cl)C1CC1 25770952 TZPDVHDLQWJDJS-CYBMUJFWSA-N 329.827 4.447 0 40 EIAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c(C)o1 27922000 BOBMZUKUBCPEHJ-UHFFFAOYSA-N 337.423 4.319 0 40 EIAB Cc1cc([C@@H](C)NC(=O)N[C@@H]2CCOc3ccccc32)c(C)s1 28358524 ADTXQGSXOWUHLD-MLGOLLRUSA-N 330.453 4.249 0 40 EIAB CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)o1 32863512 FCQVNHHSTQLLMP-UHFFFAOYSA-N 333.457 4.049 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1ccsc1)c1ccccc1Cl 32903426 SXNYDIHRNUMTDP-INIZCTEOSA-N 336.888 4.214 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1Cc2ccccc2C1=O 35316508 RBPKYYKROVTQNM-IRXDYDNUSA-N 329.440 4.221 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1 36636050 LKZBSRPNHYQLNU-UHFFFAOYSA-N 332.407 4.014 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 40081570 ZQYIHYQAZLQBTQ-NYYWCZLTSA-N 334.375 4.366 0 40 EIAB CCOc1ccc(NC(=O)N(C)Cc2ccc(SC)cc2)cc1 40095573 YWWXGUPKSAMUQQ-UHFFFAOYSA-N 330.453 4.471 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CCc3ccccc3F)c2)[nH]c1C 48302569 DRUSMHNODIHNKQ-UHFFFAOYSA-N 337.398 4.404 0 40 EIAB CC(C)CCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccccc1 49466786 WZTNSUYHOMDNFL-RBUKOAKNSA-N 337.419 4.098 0 40 EIAB Cc1nccn1-c1ccc(NC(=O)c2cccc3cccnc23)cc1F 54324363 AFDPICSATWJMKT-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB Cc1nc(NC(=O)CC(F)(F)F)sc1Cc1cccc(F)c1 55582747 LNCFIOVZGJBGDQ-UHFFFAOYSA-N 332.322 4.072 0 40 EIAB CC(=O)c1cnn(CN(C)C(c2ccccc2)c2ccccc2)c1C 58080495 OXDPPMQSFKCVGD-UHFFFAOYSA-N 333.435 4.073 0 40 EIAB Cn1cnnc1-c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 68727136 AGAFAXVBILPLHT-UHFFFAOYSA-N 347.205 4.041 0 40 EIAB Cc1nc2c(I)c(Cl)cc(Cl)c2o1 72233747 UVMSZHIEKJMCIQ-UHFFFAOYSA-N 327.936 4.048 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 72329181 YUWGHLAEPNRBPJ-ZDUSSCGKSA-N 337.398 4.269 0 40 EIAB Fc1cccc(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1F 72369837 YOEJPHCJYCTMLQ-OAHLLOKOSA-N 341.361 4.004 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc1C 79361067 DLZNRGRLIZWGQR-JOCHJYFZSA-N 335.856 4.088 0 40 EIAB CC1(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)COC1 84673720 CRQVIHVBGOYTGF-UHFFFAOYSA-N 345.445 4.218 0 40 EIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 84734520 MAFGBGBKQOLHHM-HKUYNNGSSA-N 349.434 4.330 0 40 EIAB Cc1ccc(-c2nc(CN3CC[C@H](Nc4ccccc4)C3)cs2)o1 89656215 DYEXMUPXEVXTDR-INIZCTEOSA-N 339.464 4.398 0 40 EIAB CC(=O)N(C)c1ccc(NCc2cccc(-c3ccccn3)c2)cc1 95431706 VOSQIJXEVBGRKB-UHFFFAOYSA-N 331.419 4.343 0 40 EIAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 96122469 HCVYSOYHSWDYFD-INIZCTEOSA-N 344.842 4.208 0 40 EIAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2F)n1 96346416 ZQXTVGWIVKMIFN-UHFFFAOYSA-N 325.343 4.251 0 40 EIAB COC(=O)C[C@H](C)S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 96409802 PUGOUUJZFISPSY-VHSXEESVSA-N 340.832 4.136 0 40 EIAB CNC(=O)c1ccc(NCc2csc(C3CCCC3)n2)cc1Cl 97013676 BRLWSWPAWQRXLZ-UHFFFAOYSA-N 349.887 4.426 0 40 EIAB Cc1c(N[C@@H](C)c2nnc(CC(C)C)o2)cnn1-c1ccccc1F 97102920 RWZAPDZDCRVGHL-LBPRGKRZSA-N 343.406 4.074 0 40 EIAB Cc1cccc(C)c1N1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O 102550106 LXMXXHOFCGOTQV-QRVBRYPASA-N 333.431 4.377 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 104885856 KHZGEKXOYJUNQM-UTUOFQBUSA-N 328.403 4.428 0 40 EIAB COC(=O)/C=C/c1cccc(OCc2cccc(Br)c2)c1 216896976 KEDRREYRFDXCNL-CMDGGOBGSA-N 347.208 4.214 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 219605266 JFGBFFMCQNSOPQ-SFHVURJKSA-N 331.843 4.246 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccccc2OC(C)C)c1C 219740087 GEIAYTISNORXRW-UHFFFAOYSA-N 341.407 4.211 0 40 EIAB C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222994734 FIBGUDRXIDLUMS-AWEZNQCLSA-N 343.854 4.475 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1cc2cc3ccccc3nc2s1 223131157 PEKYUTHUQIBQLZ-UHFFFAOYSA-N 348.383 4.431 0 40 EIAB COCc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 224423349 JNUOIDMMLMXUSM-HNNXBMFYSA-N 327.424 4.362 0 40 EIAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(F)cc1 224920712 AVHCABIYDCUMLS-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H](C)c1ccccc1 225134359 CRPXPVWWDMRIRW-IRXDYDNUSA-N 337.463 4.253 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)cc1C 225331745 WKONHNNXNNRXQG-GOSISDBHSA-N 339.435 4.344 0 40 EIAB COc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1C 225429729 UISITVJMRBGFLX-UHFFFAOYSA-N 345.870 4.339 0 40 EIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 225642740 UOOOAOYMKOVLJC-UHFFFAOYSA-N 338.451 4.250 0 40 EIAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225738554 PRBDUQKKSACSEO-INIZCTEOSA-N 339.508 4.123 0 40 EIAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 252695206 WGYHVQYXJNPQAA-FIFVOOHXSA-N 332.484 4.099 0 40 EIAB CCN1C(=O)/C(=C/c2cc3c(cc2OC)CCCC3)c2ccccc21 409205728 FIQXMQUFUMHHMP-CPNJWEJPSA-N 333.431 4.481 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CCCO1 543428873 HNOTUDVFMDDQRB-CRAIPNDOSA-N 331.460 4.074 0 40 EIAB FC1(F)CCC[C@@H]1Nc1nc(-c2ccccn2)nc2sccc12 1559173627 XATQFWCRQLYOQZ-LBPRGKRZSA-N 332.379 4.353 0 40 EIAB CCOc1ccc(C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 1889224537 KXLHHWNYDZGWRT-UHFFFAOYSA-N 328.751 4.076 0 40 EIAB Cn1c(=O)c(-c2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2 33446 ZKGNACLKYZGBPQ-UHFFFAOYSA-N 337.378 4.417 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1C 130798 IADNAXWPXZYJIV-UHFFFAOYSA-N 331.799 4.061 0 40 EIAB Cc1sc2nc(C3CC3)nc(SCC(=O)NC(C)(C)C)c2c1C 414380 KMPZYHJYAGSQNH-UHFFFAOYSA-N 349.525 4.192 0 40 EIAB Clc1cccc(-c2nnc3sc(Cc4cccs4)nn23)c1 533556 ITRFHGIRQLXRLT-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1368552 JSCHDMDXTYLNBN-QZTJIDSGSA-N 330.472 4.097 0 40 EIAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1370443 RCNLQZJPDPOWGA-SEJPIABJSA-N 348.490 4.311 0 40 EIAB Cc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)cc3)c2c1 2434354 LPSZXNHGKGXHIS-UHFFFAOYSA-N 327.815 4.494 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 2621469 QAEIJPVIEKNTQE-UHFFFAOYSA-N 345.704 4.500 0 40 EIAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)O)cc12 3222783 ZUGVILCKSWTFMF-UHFFFAOYSA-N 326.299 4.112 0 40 EIAB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)NC2=S)cc1 3257491 VIMAWNUZRXXTCS-PDGQHHTCSA-N 336.460 4.381 0 40 EIAB O=C(CNCCC1=CCCCC1)Nc1ccccc1N1CCCCC1 4092889 IYSBINBSQKCRER-UHFFFAOYSA-N 341.499 4.096 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)cc1 4570765 DMZJAVZCFZJZKP-UHFFFAOYSA-N 336.460 4.020 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 4699953 TXABOXNAFDVSMJ-UHFFFAOYSA-N 329.705 4.376 0 40 EIAB O=C(NCc1ccccc1Cl)c1cccc2c1-c1ccccc1C2=O 4782859 SURFERPOUIVIOH-UHFFFAOYSA-N 347.801 4.481 0 40 EIAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)C)cc1 5164275 FEUFUZQPZAMUBA-UHFFFAOYSA-N 348.446 4.196 0 40 EIAB CC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@H](CC(=O)O)c1ccccc1 5379723 XGLBLPALHYSNIK-MJGOQNOKSA-N 340.419 4.370 0 40 EIAB C[C@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 6176176 WVZSEUPGUDIELE-VGOFRKELSA-N 339.479 4.016 0 40 EIAB biogenic Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1F 6789513 QNBIGGZNCRDJIY-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB COc1ccc2ccc(O[C@H](C(=O)N(C)C)c3ccccc3)cc2c1 7182595 NGBAXHSOVQRCNF-FQEVSTJZSA-N 335.403 4.057 0 40 EIAB CC(C)c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1 7526448 XXSDJILNPBPPHK-UHFFFAOYSA-N 333.545 4.406 0 40 EIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cccs1 7699906 HSYUTCFTSQLGOK-CSKARUKUSA-N 348.349 4.421 0 40 EIAB CSc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 8049629 JCNBYOOVPMUYGM-UHFFFAOYSA-N 345.512 4.449 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)cc1 8085527 QAPCMUIXGOLRBT-QGZVFWFLSA-N 330.453 4.142 0 40 EIAB C[C@@H](NC(=O)CN(C)Cc1ccc2ccccc2c1)c1ccccc1 8127467 PEKLXDGXGKPRLA-QGZVFWFLSA-N 332.447 4.149 0 40 EIAB O=C(O)C/C(=C/c1ccccc1C(=O)O)c1nc2ccccc2s1 8515105 LCMLADLUXMRCDO-XFXZXTDPSA-N 339.372 4.010 0 40 EIAB Cc1ccccc1SCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 8705703 VRJNTPJAEQGYDR-UHFFFAOYSA-N 340.448 4.074 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3c(C)cccc3C)CC2)c1 9062991 VZVGLQUDNWWETI-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB CC(C)[C@H](NC(=O)Nc1ccccc1F)c1ccc2c(c1)OCCO2 9977295 XQEFWQCRVDCJEA-SFHVURJKSA-N 344.386 4.116 0 40 EIAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)Nc1nccs1 14105018 CSRJKSRSHMEISG-ZZXKWVIFSA-N 330.356 4.407 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)n1 15011627 RKTAKBYOCUQGCF-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CCN2CCCC2)cc1 15831508 LIRCLKQCUHTKNQ-FQEVSTJZSA-N 342.527 4.465 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(F)cc(F)c1 16101626 CIRBODZJMYDORR-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1cccc(-c2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)c1 21801471 ACUZFXMHRUENKN-UHFFFAOYSA-N 333.439 4.327 0 40 EIAB CN(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cn1 22418703 CELMJBMREVOQGH-UHFFFAOYSA-N 333.391 4.192 0 40 EIAB O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1-n1cncn1 25004927 JMFPBVUUPMGOFU-OUKQBFOZSA-N 340.386 4.072 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1 25154553 WOBZYCOJDUWCPJ-UHFFFAOYSA-N 346.390 4.286 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 32609800 UKKIZXNWKLJANB-VIFPVBQESA-N 338.190 4.213 0 40 EIAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)Nc1ccccc1 32611093 OSODESFLLYXSHR-UHFFFAOYSA-N 329.350 4.119 0 40 EIAB c1ccc(COC2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 40024252 GAIOZHVTQANPOL-UHFFFAOYSA-N 347.462 4.054 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1OC(F)F 40090582 HKBIJKGIQYHMFC-HNNXBMFYSA-N 337.341 4.237 0 40 EIAB COc1cccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c1 40095286 MCNULLVLODHTPR-UHFFFAOYSA-N 342.292 4.175 0 40 EIAB CSc1ccc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 40133762 FVKXVGZBPMCUDF-LBPRGKRZSA-N 343.448 4.320 0 40 EIAB Cc1ccc(-c2nn(CN(CC(F)(F)F)C(C)C)c(=S)[nH]2)cc1 40158175 IIBWXDWEELKGOG-UHFFFAOYSA-N 344.406 4.146 0 40 EIAB Cc1c(NC(=O)c2ccc3c(c2)OCCCO3)cccc1-n1cccc1 46077854 UCKQBAZDYQQPHS-UHFFFAOYSA-N 348.402 4.199 0 40 EIAB CCC[C@@H](C)N(C)Cc1nnc(-c2ccc(Br)s2)o1 48230353 LIYPWUKKVRARJW-SECBINFHSA-N 344.278 4.181 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1ccc(-c2cnco2)cc1 54147123 BDPVIIKCZQTZPU-UHFFFAOYSA-N 345.402 4.116 0 40 EIAB CC(C)NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 55086955 PBHBGMZKCGAUGD-UHFFFAOYSA-N 345.830 4.147 0 40 EIAB CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 60479530 IRSZWWJXWUQSTJ-UHFFFAOYSA-N 340.448 4.319 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccccc1Br)CC(O)=N2 61721064 LOBWJZLQLSZMDI-QMMMGPOBSA-N 338.230 4.071 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 65594602 NLUMKFBJXHRPDY-AWEZNQCLSA-N 347.503 4.358 0 40 EIAB C[S@@](=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 69623212 FWJIQGVXBWCLEC-NRFANRHFSA-N 346.210 4.122 0 40 EIAB C[C@@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)n1ccnc1 71885792 LAWATHZRQYQNNA-ZDUSSCGKSA-N 325.343 4.014 0 40 EIAB CCCN1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214619 NHTHFPWXQVJZIU-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2nc(C)cs2)cc1 72271458 TXDBEYKKWRXSBO-YOEHRIQHSA-N 344.480 4.317 0 40 EIAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2n1C 72288902 ZFVXJVNBPSJDSS-HNNXBMFYSA-N 343.430 4.146 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1c(C)cccc1Cl)c1ccccc1 72333746 MIGUEDYAKZPLEY-HNNXBMFYSA-N 345.826 4.324 0 40 EIAB CCC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 72353845 MPVSPXGCEDRXIM-HXUWFJFHSA-N 336.479 4.405 0 40 EIAB CNC(=O)c1ccc(NCc2ncc(-c3cccs3)o2)cc1Cl 72911911 ITDXBLFKAHFPQC-UHFFFAOYSA-N 347.827 4.028 0 40 EIAB CCc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 75244851 ZJMVMHWZNNDUCU-UHFFFAOYSA-N 337.463 4.109 0 40 EIAB Cc1ccccc1C(=O)NC1CCN(CCCC2CCCC2)CC1 78971030 QPFIOONPOFOATJ-UHFFFAOYSA-N 328.500 4.160 0 40 EIAB C[C@@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)c2ccccc21 84715154 JOHDWSKQKOQHQZ-OAHLLOKOSA-N 347.418 4.210 0 40 EIAB CC(C)n1ccc2c(C(=O)NC3CCCCC3)c3c(nc21)CCC3 94992971 ODTANSMBWHQIOW-UHFFFAOYSA-N 325.456 4.168 0 40 EIAB O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2ccoc2)c1 95429216 OTBFSSKGZHLMKK-UHFFFAOYSA-N 341.432 4.007 0 40 EIAB Cc1cc([C@@H]2c3ccccc3CCCN2C(=O)c2ccco2)ccn1 96087135 NVLWLQBGXYNQCT-HXUWFJFHSA-N 332.403 4.161 0 40 EIAB CC(C)COc1cccc(CNc2nnc(-c3ccccn3)s2)c1 97137203 FBEAFXWWMBGWAR-UHFFFAOYSA-N 340.452 4.247 0 40 EIAB Cc1c(Cl)cccc1NC(=O)Nc1ccn(CC(F)(F)F)n1 97164602 SRCOBQHZJCICQW-UHFFFAOYSA-N 332.713 4.051 0 40 EIAB Cc1nc(COc2ccc(/C=C3/SC(=S)N=C3O)cc2)cs1 97998067 PEPOIXZRBZSYMP-AWNIVKPZSA-N 348.474 4.360 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 102485967 PHMRMSTXSJCVFT-LDSOLPTJSA-N 327.468 4.254 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 113968942 BDUBCTSQDKEPDI-IBGZPJMESA-N 327.424 4.444 0 40 EIAB CNc1cc(Br)ccc1-c1cc2ccccc2oc1=O 216937760 HAKHPUQWEYOTSF-UHFFFAOYSA-N 330.181 4.264 0 40 EIAB Cc1cc(C)c(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224194093 UEOBSGPHJHQEGI-UHFFFAOYSA-N 331.843 4.382 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccccc1F 224291018 JELLKJWZBSOAFE-UHFFFAOYSA-N 342.305 4.191 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 224608799 FJWLTKHNSNPECF-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2cc(C)cc(C)c2C)c1 224764018 UIBUYEBMCKCHJC-UHFFFAOYSA-N 339.479 4.432 0 40 EIAB COc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224987917 DLQJGNYJHLRLBW-UHFFFAOYSA-N 347.842 4.165 0 40 EIAB Cc1ccccc1O[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225090161 KASQBGRUBAVGNO-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1F 225394170 NNJITLMLHOTTFI-INIZCTEOSA-N 343.398 4.175 0 40 EIAB CSc1cccc(C(=O)NCc2cncc(-c3cccs3)c2)c1 225667335 AYHCXLQWMGWKLV-UHFFFAOYSA-N 340.473 4.462 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1snnc1-c1cccs1 225788313 UCUOIYBECVHGAI-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB COc1cccc(OC)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1 225993524 RFLUAKVDANWKCC-CYBMUJFWSA-N 347.842 4.167 0 40 EIAB COC(=O)CCC[C@H]1Cc2ccc(C)cc2N(C(=O)OC(C)(C)C)C1 256051311 IQEBTNAMNCJMJT-HNNXBMFYSA-N 347.455 4.252 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)n3CC)N21 260752930 AJVIWDBHCLEBAW-JLSDUUJJSA-N 340.496 4.191 0 40 EIAB Cc1cnc([C@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)o1 390834397 XYUVDZJIWGDUSS-ZDUSSCGKSA-N 340.383 4.071 0 40 EIAB O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ncoc1C1CC1 573319476 KOXZAOJTPDMICE-UHFFFAOYSA-N 348.406 4.004 0 40 EIAB CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ncccc13)O2 235652 YVUNNZGWXFMUMF-OAQYLSRUSA-N 329.403 4.453 0 40 EIAB biogenic O[C@@](CCN1CCCC1)(Cc1ccccc1)c1cccc(Cl)c1 1698648 YHSIXPJKZVWQQS-FQEVSTJZSA-N 329.871 4.256 0 40 EIAB CC[C@H](C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1 2161199 GGNAKHXMYIEERM-SFHVURJKSA-N 336.435 4.029 0 40 EIAB biogenic CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C)c(C)c1 2721945 VCGTYUFFEALVSJ-UHFFFAOYSA-N 336.391 4.214 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2772466 OCPCFMBTDAOLEB-LLVKDONJSA-N 344.263 4.341 0 40 EIAB CC[C@@H]1CCCCN1Cn1nc2c(Cl)cc(Cl)cn2c1=S 3369211 AOGZVYGQJQUGRR-LLVKDONJSA-N 345.299 4.394 0 40 EIAB CC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 3382448 ZNFNGFSLGYOPRF-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3487379 LGFHEXNASGAMLF-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 3547411 SXWIOXBVJRWDIZ-UHFFFAOYSA-N 329.827 4.087 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Br)c1 3603714 XUJSSOSGNOIQET-VQHVLOKHSA-N 346.224 4.418 0 40 EIAB CSc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 4517517 QWRGNWQTYFYRDZ-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)CCc3ccccc3)o2)c1 4585604 KJVRZVMAUPTQTN-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB C[C@H](NC(=S)Nc1ccccc1)c1ccc(Br)cc1 4619706 QFOOMDSCOQUQNB-NSHDSACASA-N 335.270 4.497 0 40 EIAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 5213576 LZJKKPAPXCBJBP-UHFFFAOYSA-N 336.825 4.427 0 40 EIAB Cc1ccc(OCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557267 ZAEWOEURBPQWBG-UHFFFAOYSA-N 327.468 4.239 0 40 EIAB O=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 5768420 WREJTLDPPCTXHQ-UHFFFAOYSA-N 339.572 4.134 0 40 EIAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 5965352 FKCQNYRZPJJPIC-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB CC1CCN(c2nc3ccccc3n2CC(=O)c2ccccc2)CC1 6294181 SALAVIQMNUVQCC-UHFFFAOYSA-N 333.435 4.156 0 40 EIAB CCCC(=O)c1cn(CC(=O)N2CCCC[C@@H]2C)c2ccccc12 6569709 RVAFYIKDHOFALF-HNNXBMFYSA-N 326.440 4.025 0 40 EIAB C[C@H](c1ccccc1)n1c(SC(F)F)nc2ccccc2c1=O 6786969 XONLUOAQZLWILA-LLVKDONJSA-N 332.375 4.321 0 40 EIAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](C)C1 7384229 RIAHUMHFOFRFFL-MSOLQXFVSA-N 336.479 4.013 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 8224120 AOKVYAFLGQYXDI-LLVKDONJSA-N 349.839 4.246 0 40 EIAB C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccnc1 8775087 YKCJXKWSFVRRQB-LBPRGKRZSA-N 336.416 4.194 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 9063164 UREIHQQEAACLEX-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB Cc1c(Cl)c(-c2c[nH]c(C(=O)N3CCCC3)c2)nc2ccccc12 9376259 IXMUHFHSRHYXQG-UHFFFAOYSA-N 339.826 4.428 0 40 EIAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc3ccccc23)c1 13167676 RRVXMZMKSFCBCD-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB c1csc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13692635 UFRPVNRJROURQB-UHFFFAOYSA-N 335.417 4.130 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1ccc(F)c(Cl)c1)c1ccccc1O2 15861289 IXZQOORXKXHNBP-RHSMWYFYSA-N 348.830 4.414 0 40 EIAB CCOc1cccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 16852188 AORSHJRRRHLOQC-UHFFFAOYSA-N 347.823 4.077 0 40 EIAB CCOC(=O)c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1C 17297421 WFGIJPBLGHZXHY-VXPUYCOJSA-N 338.432 4.256 0 40 EIAB Cc1cc(C)n2cc(CSc3nc4ccccc4s3)nc2n1 17355350 NEVOKQYILKYHEF-UHFFFAOYSA-N 326.450 4.248 0 40 EIAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 19523545 BDVMDFVEWODATH-IEBWSBKVSA-N 339.483 4.062 0 40 EIAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc2cccnc12 23074101 CFRGKZJXWCCLJS-SFHVURJKSA-N 348.402 4.045 0 40 EIAB Cc1nnc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1 23080941 XQSXMHCWIOWJPE-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1CNCCc1ccccc1 23424886 PYBBPUAPHNRWHU-UHFFFAOYSA-N 325.843 4.166 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3F)cc2c1 25765667 OLKODVOVIQRPJS-UHFFFAOYSA-N 328.318 4.082 0 40 EIAB CCCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 32622977 ZIRNGHZGYFKPML-UHFFFAOYSA-N 337.379 4.151 0 40 EIAB O=C(Nc1cccnc1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 32769306 PQQFCKSZLBQASA-HXUWFJFHSA-N 342.402 4.028 0 40 EIAB O=C(NCCCN1CCCCCC1)c1sccc1-c1ccccc1 32983671 MMRSUKWXGXUUAR-UHFFFAOYSA-N 342.508 4.411 0 40 EIAB COc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@H](C)[C@@H]2C)cc1OC 35464673 XCRBJSLPMIXFOO-SEWJXDGKSA-N 328.408 4.494 0 40 EIAB biogenic,in-vitro CCc1ccc([C@H](C)NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 36623092 CPQAQMUEZFEBPG-LBPRGKRZSA-N 347.842 4.411 0 40 EIAB O=C1CCCc2nc(NC(=O)C3(c4cccs4)CCCC3)sc21 38490479 IWUAYAUIRSFECM-UHFFFAOYSA-N 346.477 4.174 0 40 EIAB CCCCc1noc(CN2CCC(c3c[nH]c4ccccc34)CC2)n1 40049858 JWUGFZNIWQMSQY-UHFFFAOYSA-N 338.455 4.273 0 40 EIAB Cc1cc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc2[nH]1 40081350 RERNRZDJTILWIC-UHFFFAOYSA-N 349.312 4.065 0 40 EIAB COc1cc(OC)c(NC(=O)N(CC(C)C)C2CC2)cc1Cl 43413069 PXOQQZFQUYLFPB-UHFFFAOYSA-N 326.824 4.010 0 40 EIAB Cc1ccccc1-c1csc2c(=O)n(Cc3ccccc3)cnc12 44166960 GCSSVMUJLMXXMK-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB Cc1cc([C@@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)on1 47273770 MFVHMHBQIHKHHM-INIZCTEOSA-N 327.359 4.114 0 40 EIAB COc1ccc(-c2cc(C(=O)Nc3cccc4c3CCCC4)n[nH]2)cc1 51315552 IPMGMSNABQTHQM-UHFFFAOYSA-N 347.418 4.216 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(C)C)n[nH]3)o2)cc1 58417198 QQNHHDPDAHODOD-UHFFFAOYSA-N 338.411 4.068 0 40 EIAB COc1c(CN[C@@H](c2ccccc2)c2ccco2)c(C(C)C)nn1C 58419976 ZKXMJQWRLSCZDQ-IBGZPJMESA-N 339.439 4.024 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@@H](C)C3)s2)cs1 84275052 GOHCOPCUMXBUBH-GFCCVEGCSA-N 349.525 4.164 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)ccc1SCC(F)F 89871343 LUECQIZKZXILDJ-UHFFFAOYSA-N 344.362 4.167 0 40 EIAB CCC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@@H](C)Oc1ccccc1 89949915 MIRZNFXNRJKJHQ-CJNGLKHVSA-N 329.362 4.178 0 40 EIAB Cc1ccc(F)c(C(=O)Nc2cccc(CCN3CCCC3)c2)c1 94122813 NLPQKFVLMOMBAP-UHFFFAOYSA-N 326.415 4.025 0 40 EIAB CC(C)(C)OC(=O)N1CCC(Sc2ncccc2Cl)CC1 95450380 OZGVNZDMUSUYKH-UHFFFAOYSA-N 328.865 4.227 0 40 EIAB CCc1ccc([C@H]2CCCCCN2C(=O)CCc2ccncc2)o1 95960763 CHTDPCOXJUTNMW-GOSISDBHSA-N 326.440 4.314 0 40 EIAB O=C(NC(=S)Nc1ccccc1)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100733635 IOYIAMZZQINITQ-NRUSHDPLSA-N 328.481 4.106 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccccc2-c2cn3ccccc3n2)s1 206897249 OBVGVWBVUBNQAO-UHFFFAOYSA-N 348.431 4.327 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)cc1 223659793 ZCEBBHCFPDEYTI-FQEVSTJZSA-N 339.435 4.370 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 224927160 HEVVTDGTSJTZRO-QGZVFWFLSA-N 338.451 4.310 0 40 EIAB CCCSc1nnc(NC(=O)c2ccccc2SCC)s1 225155741 SGRNHFJSXIMACJ-UHFFFAOYSA-N 339.511 4.405 0 40 EIAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCC(C)(C)C)n1 225228306 SMEPZEDPNZRBNR-UHFFFAOYSA-N 347.463 4.000 0 40 EIAB CC(C)OC(=O)c1ccc(Nc2ccc(Br)cc2)c(N)c1 225424481 NOJGOFMPXKLTIA-UHFFFAOYSA-N 349.228 4.340 0 40 EIAB Fc1ccccc1CSCCCNC(=S)Nc1ccccc1 225611216 DMTAPYPRUXALKE-UHFFFAOYSA-N 334.485 4.436 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc2c(c1)CCCC2 225633439 OPUOJDICNBNPGD-NRFANRHFSA-N 335.447 4.381 0 40 EIAB CC(=O)N[C@@]1(C)C[C@H](c2cc(C)c(O)c(C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257246154 ISUYSEYZQBNVDJ-JYPYUCQASA-N 345.483 4.170 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)[nH]c3C)N21 260781009 SGKNYOTXVMTUPJ-COXVUDFISA-N 326.469 4.006 0 40 EIAB CCCC[C@H]1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C/CCCC(=O)O 299888271 CGCZPIJMGKLVTQ-SORNJVSUSA-N 334.456 4.178 0 40 EIAB Clc1nc2ccccc2[nH]c1=Nc1ccc(Br)cc1 408757951 SODXCVAYGHHPKL-UHFFFAOYSA-N 334.604 4.211 0 40 EIAB O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1Cl 409052824 ILBDVCOGAAWDFZ-ZROIWOOFSA-N 331.780 4.287 0 40 EIAB O=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 409147264 VUJRWHSJNBGQLF-CQSZACIVSA-N 335.787 4.290 0 40 EIAB CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 539434395 AQLSBNNENCGICH-ROUUACIJSA-N 348.402 4.026 0 40 EIAB COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1OC 245186 PIHFLCZIKJMZFE-UHFFFAOYSA-N 339.391 4.245 0 40 EIAB biogenic Cc1ccc(NC(=O)c2cccnc2Cl)c(Br)c1 258998 QFALPDMTLOOXNY-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 1277713 JRQAPZZAWWKLHC-UHFFFAOYSA-N 339.461 4.095 0 40 EIAB c1csc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)c1 1453767 CJZKZPCDYJENAU-APWZRJJASA-N 333.416 4.385 0 40 EIAB CCCC[C@H](CC)c1nnc(NC(=O)COc2ccccc2)s1 2070616 NBPPZKDRAQRHJM-ZDUSSCGKSA-N 333.457 4.239 0 40 EIAB Cc1nn(Cc2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)o2)c(C)c1Cl 2742680 HNAMKQLSJWGFRH-VXGBXAGGSA-N 349.862 4.198 0 40 EIAB Cc1ccc(C(=O)Sc2nnc3sc4ccccc4n23)cc1 3270810 FYRRQEUCPKSAMH-UHFFFAOYSA-N 325.418 4.185 0 40 EIAB CCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OCC 3434548 PUUXHVJIPKBTQA-UHFFFAOYSA-N 336.338 4.406 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2nc3ccc(F)cc3s2)c(C)c1 3438677 NWPYGIMHNLIVST-UHFFFAOYSA-N 344.411 4.378 0 40 EIAB Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl 3548924 SLDSEGNKAYTZJJ-KRWDZBQOSA-N 345.826 4.459 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 4027599 FMNPCVNWRFPDCA-FCMAGTKHSA-N 328.452 4.483 0 40 EIAB C[C@H]1C[C@@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC[C@H]1C 4099876 HSYKUCUHSYQGQW-VGMNWLOBSA-N 335.288 4.421 0 40 EIAB biogenic CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cs2)C1=O 4694871 KGQGPEDHWGFXAZ-SYNIEDPSSA-N 346.271 4.345 0 40 EIAB Cc1cc(C)n2c(Nc3ccccc3)c(-c3ccccc3O)nc2n1 4734206 LNLYKWOBUBMZED-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)nc1 5863859 UZWRYJFRJJQUOI-UHFFFAOYSA-N 330.796 4.216 0 40 EIAB CC(C)n1nccc1NC(=O)c1ccccc1COc1ccccc1 6610477 JGLZCFHFEBJXBQ-UHFFFAOYSA-N 335.407 4.295 0 40 EIAB NC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 9647642 UFLFQGDCSUHXTR-UHFFFAOYSA-N 346.415 4.201 0 40 EIAB CC1CCC(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 9792678 QXGKHLNGHBWQPY-GSQSYGFSSA-N 346.471 4.033 0 40 EIAB Cc1ccc(N(C(=O)c2cccs2)C(=O)N2CCCCC2)cc1 10254536 CZLYDKLCGHWMQO-UHFFFAOYSA-N 328.437 4.309 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544985 ALDGWCBZQZRAPD-NSHDSACASA-N 345.855 4.298 0 40 EIAB Cc1ccc(CCC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 10964292 UBLVFUBKIJMMBV-UHFFFAOYSA-N 347.462 4.356 0 40 EIAB CC[C@@H](C)C(=O)N1CCc2cc(-c3cn4ccc(C)cc4n3)ccc21 12088188 TZWQBOXVRSQULA-OAHLLOKOSA-N 333.435 4.245 0 40 EIAB O=C([C@H]1CCCO1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185408 OIQBHQSYGAKNKZ-HUUCEWRRSA-N 346.452 4.026 0 40 EIAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1[C@@H](C)CC 12683526 LEBQMMBJJZMGTI-AWEZNQCLSA-N 334.419 4.265 0 40 EIAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C)cc2)C1=O 12761482 BANLOBIRZJCSRT-LJQANCHMSA-N 342.826 4.006 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1C 12931332 HDSCIXZXOIEQQU-LBPRGKRZSA-N 341.382 4.150 0 40 EIAB O=S(=O)(Cc1ccccc1F)Nc1ccc(OC2CCCC2)cc1 13669162 XISDIEKXMSGVJD-UHFFFAOYSA-N 349.427 4.089 0 40 EIAB COc1ccc(CN(C)c2nc(C(F)(F)F)nc3ccccc23)cc1 14129415 JTQHAXIHUBMPFU-UHFFFAOYSA-N 347.340 4.294 0 40 EIAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nc2ccccc2o1 16210107 CVHZFCZGOGAAAK-UHFFFAOYSA-N 337.162 4.074 0 40 EIAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1cc2ccccc2o1 18203880 ZFPCOQBMZNSSCP-AWEZNQCLSA-N 331.375 4.110 0 40 EIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccs2)cs1 18235553 XHWZYESWHDYJCQ-UHFFFAOYSA-N 326.446 4.383 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)cc(C)c1Cl 20454513 NSOJETOLALSNGY-ZDUSSCGKSA-N 335.806 4.180 0 40 EIAB COc1cccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)c1 21579213 GXTIBRAXFANVAS-UHFFFAOYSA-N 334.331 4.349 0 40 EIAB COc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)cc1 21924489 VTLHEEWYSCUPJV-UHFFFAOYSA-N 346.430 4.338 0 40 EIAB O=C1/C(=C\c2cccc3ccccc23)NC(=S)N1c1ccccc1F 21936599 QAJIPPNHZWUQBN-SFQUDFHCSA-N 348.402 4.241 0 40 EIAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 23115967 DJRWKFHCYNOAIQ-HNNXBMFYSA-N 341.451 4.076 0 40 EIAB CC[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccccc1 24522726 VZCLBMTZPICKQX-QGZVFWFLSA-N 336.435 4.344 0 40 EIAB COc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 27222469 NTWGNJQSJZFTTJ-FQEVSTJZSA-N 347.462 4.107 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1 27581859 QGWYPPTWVMZQIY-FQEVSTJZSA-N 340.442 4.091 0 40 EIAB O=C(CNCc1cccs1)N1c2ccccc2CCc2ccccc21 35311534 DUDBGOYRPWBGKY-UHFFFAOYSA-N 348.471 4.301 0 40 EIAB Cc1ccc2[nH]c([C@H]3CCN(Cc4cn(C)c5ccccc45)C3)nc2c1 35446579 IOJBLSCRJBHMJT-INIZCTEOSA-N 344.462 4.353 0 40 EIAB biogenic,in-vitro O=C(Nc1cccnc1)c1cc2occc2n1Cc1ccccc1F 36366240 GREXJNUVYWMCPN-UHFFFAOYSA-N 335.338 4.069 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 36619720 ABCVFZUNHLOZAN-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB CCn1c(C(=O)Nc2c(C)nn(C(C)C)c2C)cc2sccc21 40786557 DIMPKVGJABVSJP-UHFFFAOYSA-N 330.457 4.369 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1ccc(Cl)cc1OC 43214378 YWFWEANWFJQWPR-UHFFFAOYSA-N 326.820 4.435 0 40 EIAB O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccccc2s1 44911842 QSEOCKROMSNGHM-GOEBONIOSA-N 344.480 4.309 0 40 EIAB O=S(=O)(Cc1cccc(F)c1)Cc1csc(-c2ccccc2)n1 45297351 FCTPCKZUDADXEX-UHFFFAOYSA-N 347.436 4.064 0 40 EIAB C[C@@H](NC(=O)CSc1ccccc1)c1cccc(OC(F)F)c1 46640553 HPCKKCXPGHBFMJ-GFCCVEGCSA-N 337.391 4.258 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 48287885 AJNWVANEWDYGDZ-IAQYHMDHSA-N 326.371 4.296 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)o2)c1 49025988 DGEVHXFHUPUKIF-UHFFFAOYSA-N 344.371 4.242 0 40 EIAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc[n+]1[O-] 60769248 WXXPCQZVYOWIOQ-UHFFFAOYSA-N 348.446 4.040 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(Cc1ccsc1)C1CC1 67075305 LWCSWBNAILSJNR-UHFFFAOYSA-N 342.439 4.411 0 40 EIAB CCC[C@H](C)N1Cc2cccc(NC(=O)Cc3csc(C)n3)c2C1 69736838 PIJQKSYQGLYXIN-ZDUSSCGKSA-N 343.496 4.137 0 40 EIAB COc1cccc(Oc2ccc(CNC(=N)Nc3ccccc3)cn2)c1 69812102 FLHRPVANRTZCBV-UHFFFAOYSA-N 348.406 4.019 0 40 EIAB Cc1csc(-c2cccc(NC(=O)N(C)Cc3ccco3)c2)n1 71855091 HVHMXHYLWSVYDO-UHFFFAOYSA-N 327.409 4.375 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216040 ISVTUFNGMVIKQN-INIZCTEOSA-N 331.460 4.144 0 40 EIAB O=C(Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1)C1CCC1 72405581 UICXFKCJGQSJGC-UHFFFAOYSA-N 337.379 4.147 0 40 EIAB c1cc(N2CCCCC2)ccc1-c1noc(-c2cc(C3CC3)on2)n1 73144803 QWYBXEBNADOAHV-UHFFFAOYSA-N 336.395 4.259 0 40 EIAB O=C(NCc1ccc(Cl)cc1)N(CCc1cccs1)C1CC1 75154833 YVAUGZJLTSVCAB-UHFFFAOYSA-N 334.872 4.318 0 40 EIAB COc1ccc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 78420528 WRNWOVYZNFICJE-LJQANCHMSA-N 339.439 4.067 0 40 EIAB O[C@H]1CCCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 84392874 FVOKCGBYNZRHBD-FQEVSTJZSA-N 345.433 4.334 0 40 EIAB O=C(c1cn2ccccc2n1)N(Cc1ccccc1)C1CCCCC1 84535579 VPUXBFPBVFFZID-UHFFFAOYSA-N 333.435 4.309 0 40 EIAB FC(F)(F)c1ccccc1-c1noc(-c2ccnc(Cl)c2)n1 89262841 HBNYVNZJADFQSZ-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C 89914105 LZVFXEKVYBHOGS-TZMCWYRMSA-N 326.362 4.387 0 40 EIAB Cc1nc(CC(=O)Nc2ccc(Cl)cc2Br)cs1 95418892 MHZUGPYWRZWDPB-UHFFFAOYSA-N 345.649 4.049 0 40 EIAB Cc1nnccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 95435271 HURYUXVFDBYSNT-UHFFFAOYSA-N 338.436 4.284 0 40 EIAB Cc1c(-c2nnc(-c3ccccc3)o2)sc2[nH]cnc(=S)c12 95471883 GJEXBQCXJDNXEW-UHFFFAOYSA-N 326.406 4.379 0 40 EIAB c1coc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1 96047183 IOBOGNWYEZDDHO-UHFFFAOYSA-N 330.497 4.219 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 96659754 RIVDNDZHEUMJPM-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(F)cc1 96759031 KERRMDWCKPGUPI-UKTHLTGXSA-N 326.396 4.158 0 40 EIAB O=C(c1cc2ccccn2c1)N1CCS[C@H](c2ccccc2)CC1 206987867 MJHXHWJZATVNRB-IBGZPJMESA-N 336.460 4.260 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219317293 BGIBGKYWZGGYDF-XLIONFOSSA-N 341.451 4.045 0 40 EIAB Cc1cccc(OCC(=O)NCCOc2ccc3ccccc3c2)c1C 223639215 NRRMSBRKQWJWAD-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB COCc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225186169 VOUGZWGVQSJLHO-HNNXBMFYSA-N 339.435 4.118 0 40 EIAB CSc1cccc(C(=O)NCc2cccnc2-c2ccsc2)c1 225647980 ZFKSNWCKEVZLRM-UHFFFAOYSA-N 340.473 4.462 0 40 EIAB CC(C)Oc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1 225783873 DIMBYEZUODHLHO-OAHLLOKOSA-N 344.480 4.228 0 40 EIAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260775307 QCVMBXZKBLUHAY-FSPWUOQZSA-N 340.496 4.109 0 40 EIAB O=C(COc1ccsc1)N(C1CC1)[C@@H]1CCCc2ccccc21 503487694 OPZNELVGNYMCBL-GOSISDBHSA-N 327.449 4.196 0 40 EIAB CC[C@@H](C)[C@@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 575444546 ZCDPBUSYYQJXGD-CXAGYDPISA-N 328.460 4.282 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 201125 FFNNGENLSBRBNR-HXUWFJFHSA-N 341.414 4.277 0 40 EIAB CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCCc2ccccc21 417478 XSIJQKATWPKMEU-LJQANCHMSA-N 339.487 4.328 0 40 EIAB COc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1OC 496518 RIMUXQQPTQFUMI-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Br 580010 NHKMHLVJGSTNAQ-HNNXBMFYSA-N 334.213 4.245 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccco3)c2)cc1 816347 CYPZWBGRMIWEBC-OAHLLOKOSA-N 349.386 4.491 0 40 EIAB CCOC(=O)[C@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1 2527053 KBTNNTIUTQHWSW-QGZVFWFLSA-N 333.790 4.146 0 40 EIAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1 2620812 ZJQONKCMTKRVOG-UHFFFAOYSA-N 336.372 4.458 0 40 EIAB O=C(/C=C/c1ccco1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3263149 OYPZZKKJWVZZGQ-ARKBFRDHSA-N 332.355 4.460 0 40 EIAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1 3356997 JKFLHRJYTQMMSE-UHFFFAOYSA-N 345.370 4.433 0 40 EIAB COc1ccc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1 4524465 HPQQJBVQTKZCHH-JWZKOSBISA-N 338.432 4.368 0 40 EIAB Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ncccn12 4734095 NAHHPCHDNDEVQS-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)c1 4939684 BCSRRJQCFDXKJI-UHFFFAOYSA-N 347.827 4.384 0 40 EIAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3C)C2=O)cc1 5214266 SQDRUEQRKGDVOD-WJDWOHSUSA-N 325.389 4.245 0 40 EIAB Cc1ccc(Cn2cccc(C(=O)Nc3c(C)cccc3C)c2=O)cc1 5270180 FHCYVENMNZQCKX-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB CCc1cccc2c(C(=O)CSC(=S)N3CCCC3)c[nH]c12 5287427 OMOXYTRTZBUILU-UHFFFAOYSA-N 332.494 4.027 0 40 EIAB Brc1ccc(COc2ccc(-c3nnco3)cc2)cc1 5460257 VJXYPZLHHZPKPG-UHFFFAOYSA-N 331.169 4.078 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(C)=O)c1 5577796 WNNQBHDCVUZXFS-UHFFFAOYSA-N 334.375 4.059 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 5587972 YGJMALGIBRHSEV-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 5865009 IUHVDYIRIYKAHD-GFCCVEGCSA-N 334.213 4.164 0 40 EIAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cccc(Cl)c1 5986554 UACQLAKCZGKFSP-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB O=C(CSc1ccc(Cl)cc1)NCc1ccccc1Cl 6124090 NLBYXPYMYJJMBH-UHFFFAOYSA-N 326.248 4.402 0 40 EIAB CCc1cccc2c(C=O)cn(CC(=O)Nc3cc(C)cc(C)c3)c12 6285656 GISOMFQHCVBNKC-UHFFFAOYSA-N 334.419 4.272 0 40 EIAB COc1cc(CNCc2ccccn2)ccc1OCc1cccs1 7275033 MCQWIMWGXLGXBN-UHFFFAOYSA-N 340.448 4.021 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 7294556 UIQJWLZAOLLICG-ZDUSSCGKSA-N 329.421 4.017 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 7405421 MJCQIBHVWQMXHX-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)CCCCC2 8039646 RFRUMFWOYCXYOF-UHFFFAOYSA-N 338.476 4.471 0 40 EIAB O=C(OCc1ccc(Cl)cc1)c1cc(O)c2ccccc2c1O 8277636 IHRDVRFMYMEJKX-UHFFFAOYSA-N 328.751 4.261 0 40 EIAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cccnc1 8329196 BEXUTHFBTCRQHZ-UHFFFAOYSA-N 337.376 4.258 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1cccc(F)c1 8863077 XENAAIRIUDHXLS-SFHVURJKSA-N 346.471 4.234 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc3sc(C)nc3c2)cc1 10219162 ARBSBCOCPNZZES-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB Cc1occc1-c1nc(NCc2ccco2)ncc1-c1ccncc1 12222867 TWTXDSWCMLSLPZ-UHFFFAOYSA-N 332.363 4.312 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cl)cc1)CC3 12321563 WCKQUOUXWCRNEV-UHFFFAOYSA-N 340.810 4.028 0 40 EIAB C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 12547206 LUQKEKGIHOKWFA-CQSZACIVSA-N 346.434 4.244 0 40 EIAB Cc1ccc(-c2nc(C(=O)Nc3nnc(C(C)C)s3)cs2)cc1 12780877 MFJGINIZBFNZKD-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12941434 QGIQGYNKCREKNE-JARZOMNASA-N 349.430 4.143 0 40 EIAB CCOc1ccc(CNC(=O)CCSc2ccc(C)cc2)cc1 13669528 LGZGXHABQZBUSQ-UHFFFAOYSA-N 329.465 4.192 0 40 EIAB CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1 14602580 SRGUQNQIQLUEBA-HXUWFJFHSA-N 341.451 4.430 0 40 EIAB CCCCn1nc(C)c(/C=C/C(=O)Nc2ccccc2OC)c1Cl 16030563 QAFNCJSXWIDBNQ-ZHACJKMWSA-N 347.846 4.306 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CCSc2ccccc2)cc1 20489157 LLDLPEAFBUUDOP-OAHLLOKOSA-N 329.465 4.445 0 40 EIAB CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OCC 22074376 XHHAKRRKFHQJOP-UHFFFAOYSA-N 333.859 4.470 0 40 EIAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccccc1 25847622 PECSUVHARDUVIB-UHFFFAOYSA-N 346.434 4.232 0 40 EIAB CC(=O)NCc1ccc(-c2csc(-c3sccc3C)n2)cc1 28334599 QIYOFNCUUZFQBM-UHFFFAOYSA-N 328.462 4.483 0 40 EIAB COc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 30754657 FZWRQKGDTXRZHU-UHFFFAOYSA-N 338.451 4.179 0 40 EIAB C[C@H](NC(=O)c1noc2c1CCCC2)c1cccc(C(F)(F)F)c1 40157119 YCNUWMBVRPCCED-JTQLQIEISA-N 338.329 4.063 0 40 EIAB CC(=O)c1csc(NC(=O)c2sc(-c3ccsc3)nc2C)n1 40468744 DLINSCHSFFTSMZ-UHFFFAOYSA-N 349.462 4.091 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCOc2ccccc21 43165001 KVCJDRKKDNUKDT-INIZCTEOSA-N 348.805 4.144 0 40 EIAB CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(Cl)c2)cs1 46185231 AWFXWQYJZOLPKI-UHFFFAOYSA-N 343.901 4.209 0 40 EIAB CCN(C)Cc1cccc(CNc2ncnc3c2oc2ccccc23)c1 48326083 GLXVAHWHEGIBOT-UHFFFAOYSA-N 346.434 4.440 0 40 EIAB Cc1nc(C)c([C@@H](C)NC(=O)c2cc(C3CC3)nn2C(C)(C)C)s1 56024198 ZKWRXQLHEZKGIY-LLVKDONJSA-N 346.500 4.080 0 40 EIAB CC(=O)c1c(C)cc(C)c(CNc2ccc(-n3nccn3)cc2)c1C 58194472 GMHMPOAAVOZLOW-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 59351961 NYVMNHYAICNSBN-FOIQADDNSA-N 341.451 4.292 0 40 EIAB COC(=O)Nc1ccc(OCCCOc2ccc(Cl)cc2)cc1 59422616 ZXESBXTVHSCSCT-UHFFFAOYSA-N 335.787 4.366 0 40 EIAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(O)cc3)c12 60481062 FPQJGMFQAXRFQK-UHFFFAOYSA-N 337.379 4.011 0 40 EIAB Cc1cc(C)nc(SCC(=O)N2CCC[C@@H]2CC2CCCCC2)n1 61570744 XHZLPILRYWRCFG-QGZVFWFLSA-N 347.528 4.147 0 40 EIAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)cc1 63887847 BLHACURGVMAVBL-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB Cc1cccc(C)c1NC(=O)CSCCCOc1ccccc1 65623548 OBLTTZVNLPOFEX-UHFFFAOYSA-N 329.465 4.444 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1 67197904 GCEUSUXSTMECCC-INIZCTEOSA-N 339.435 4.153 0 40 EIAB O=[S@](Cc1cccc(Cl)c1)Cc1coc(-c2ccccc2)n1 69491129 JKUGMEWWAKEAAH-QFIPXVFZSA-N 331.824 4.444 0 40 EIAB CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(SC(C)(C)C)cc1 69601895 UEQXYSHVXPWRQA-AWEZNQCLSA-N 336.501 4.468 0 40 EIAB Nc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)n1 71977726 VLPLICUQLPPAEG-UHFFFAOYSA-N 332.226 4.217 0 40 EIAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)c1 72349336 BWSVIXNCCNOYBT-FQEVSTJZSA-N 348.490 4.487 0 40 EIAB Cc1nccc(-c2cccc(NCc3cn4cc(Cl)ccc4n3)c2)n1 84290754 WKFWTNQELUYIHA-UHFFFAOYSA-N 349.825 4.365 0 40 EIAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1cccc(OC(F)F)c1 84660669 JICYOZWXWSJBRG-KPWVOAKYSA-N 328.355 4.437 0 40 EIAB CC[C@@](C)(NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1 84721213 HDLZVAIQLNXDQG-HXUWFJFHSA-N 341.455 4.101 0 40 EIAB C[C@H](NC(=O)CCC(=O)Nc1cccc(Cl)c1F)c1ccccc1 89905559 IBJOFXPJUBHPCE-LBPRGKRZSA-N 348.805 4.075 0 40 EIAB Fc1cccc(Cl)c1CCNc1ccc(O[C@H]2CCOC2)cc1 95454358 DAYJIYHIMPWOGY-HNNXBMFYSA-N 335.806 4.301 0 40 EIAB CC(C)Oc1ccccc1NC(=O)N(C[C@H](C)O)C1CCCCC1 95467057 STPDAAQSBVVQCS-HNNXBMFYSA-N 334.460 4.021 0 40 EIAB C[C@@](O)(CN[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 95467442 DTQBCYIHDQFTNM-LEWJYISDSA-N 343.417 4.398 0 40 EIAB COC(=O)c1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1Cl 96725867 JGXNUGWNHVEECU-UHFFFAOYSA-N 343.810 4.258 0 40 EIAB NC(=O)c1cccc(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 105493910 DCBONZGZJZDUHA-LJQANCHMSA-N 342.870 4.460 0 40 EIAB O=C(CCc1ccc(Cl)s1)NC[C@@H]1CCOc2ccccc21 108736149 BDXALZCGYVBXMO-LBPRGKRZSA-N 335.856 4.017 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)n1c(C)c(CO)c2ccccc21 216768184 MUGJWPFNGULPRH-UHFFFAOYSA-N 343.810 4.123 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccccc2C)c1 223600594 VLEYZNQCJKYICH-INIZCTEOSA-N 325.452 4.204 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1Cl 224436772 XFYJGYNBPZGLAN-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB COc1cccnc1NC(=S)N[C@H](CC(C)C)c1ccccc1 225496467 HTTLKNRPDHEJKW-OAHLLOKOSA-N 329.469 4.164 0 40 EIAB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592677 SMGNKNSQSQIPDI-INIZCTEOSA-N 332.488 4.172 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cn1 225662118 JOUNBOVALZSUHW-AWEZNQCLSA-N 343.496 4.133 0 40 EIAB Cc1cccnc1NC(=S)NCCCc1ccc(C(C)C)cc1 225807662 VHTNHWABTCOIES-UHFFFAOYSA-N 327.497 4.433 0 40 EIAB CCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225892679 PUGGQHJIMUEGRH-UHFFFAOYSA-N 330.428 4.023 0 40 EIAB CC(C)c1ccc([C@H](Nc2cnn(C)c(=O)c2Cl)C(C)C)cc1 507143314 NEMMLTQNHDFSKR-QGZVFWFLSA-N 333.863 4.366 0 40 EIAB CC(C)COc1ncc(C(=O)N2CCC[C@H](C(C)C)C2)cc1Cl 622542944 USHBLZLSXUQXOS-AWEZNQCLSA-N 338.879 4.278 0 40 EIAB O=C1N[C@](c2ccccc2)(C(F)(F)F)Sc2nc3ccccc3n21 83937 DOVXOVCWHSYBPS-HNNXBMFYSA-N 349.337 4.115 0 40 EIAB Cc1nc(SCC(=O)N2CCCC[C@@H]2C)c2c(C)c(C)sc2n1 414762 YYCFSPCJRDSIAU-JTQLQIEISA-N 349.525 4.110 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4F)ccc1c23 567817 KXPBSUYARQYKKB-UHFFFAOYSA-N 334.350 4.211 0 40 EIAB Cc1ccc(-c2nnc3c4ccccc4nc(C(F)(F)F)n23)cc1 1383108 NZPWLVIYNHIOOZ-UHFFFAOYSA-N 328.297 4.272 0 40 EIAB COc1cc2c(cc1OC)/C(=C\c1ccc(C(C)C)cc1)C(=O)OC2 2112376 ZNIBPUJCPPWAJD-GIJQJNRQSA-N 338.403 4.425 0 40 EIAB biogenic CCCCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 2721286 DRXZOAOKOWRSQM-UHFFFAOYSA-N 339.414 4.296 0 40 EIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(SC(F)F)cc1 3344251 CYOJLQAMZMCNBD-GFCCVEGCSA-N 348.418 4.391 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1cc(SC)ccc1Cl 3451628 FPERCFOZTSZHLR-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB C[C@@H]1CC[C@]2(CO)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 4716545 PHKSUFCCGLWIMC-JBCDFXQESA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro CCCCCC(=O)Nc1nc(-c2ccccc2OC(C)=O)cs1 5460003 MJPQRBOPUCEHHS-UHFFFAOYSA-N 332.425 4.254 0 40 EIAB CCCNC(=S)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7662632 AHNNTRRDPPTPQQ-OAHLLOKOSA-N 343.521 4.235 0 40 EIAB Cc1sc2ncnc(Sc3nnc(-c4ccco4)o3)c2c1C 8198897 NNGJDAOGYRVFHA-UHFFFAOYSA-N 330.394 4.102 0 40 EIAB Cc1ccc(-c2csc3ncn(C[C@H]4CCCCO4)c(=O)c23)cc1 8734884 QGVRAWGDGQEPRV-OAHLLOKOSA-N 340.448 4.003 0 40 EIAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccco1 9136221 WAZXRVDEPMKSML-UHFFFAOYSA-N 346.386 4.011 0 40 EIAB c1ccc2c(NCCCn3ccnc3)nc(-c3ccsc3)nc2c1 12741048 BAYYKWSPGNHDFX-UHFFFAOYSA-N 335.436 4.057 0 40 EIAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc(Br)cc1 12767858 JAXJQSWPHAXKHA-GFCCVEGCSA-N 333.229 4.010 0 40 EIAB CCOc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC 12827903 IVNATHORJUSVEQ-UHFFFAOYSA-N 346.452 4.072 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1 13709692 GZPVTYJANBDYET-CQSZACIVSA-N 349.883 4.157 0 40 EIAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1 13712235 LTXHRDJTDCZOIO-UHFFFAOYSA-N 348.446 4.279 0 40 EIAB Cc1ccccc1CN1CCC(c2nnc(-c3cccs3)o2)CC1 19237173 GBLGDLXLTPCFKV-UHFFFAOYSA-N 339.464 4.486 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(OC)cc1 20453915 DHHDRQVTYOYHOE-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 22394074 HSONXTAFDRQTGW-UHFFFAOYSA-N 346.390 4.341 0 40 EIAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(F)cc3F)c2)n1 27970765 PSXKNTHNIPWQMV-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB O=C(c1cc2c(F)cccc2s1)N1CCC[C@H]1c1cccnc1 29296100 IBMIKXLBFHQJFI-HNNXBMFYSA-N 326.396 4.413 0 40 EIAB O=C(Oc1ccccc1Cc1ccccc1)[C@@H]1Cc2ccccc2O1 29472158 OJXPDPZXRNIRJA-NRFANRHFSA-N 330.383 4.187 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C(C)C 30858974 IZQNWRMWSQSFME-INIZCTEOSA-N 341.451 4.292 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 30986850 ASJVLBMXGNBBBI-DOMZBBRYSA-N 328.378 4.126 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 31334915 WNJNRFNPFJIYHP-CQSZACIVSA-N 339.826 4.359 0 40 EIAB Cc1cc(CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)no1 31657940 XUYIGNSVLIWODL-UHFFFAOYSA-N 347.827 4.032 0 40 EIAB COc1ccccc1CC(=O)N[C@@H](c1cccs1)C1CCCC1 31805557 QRXDOZPQWJTMOW-LJQANCHMSA-N 329.465 4.347 0 40 EIAB CC[C@@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 38361134 ADAPUGNVJGEFRO-OAQYLSRUSA-N 339.479 4.309 0 40 EIAB biogenic O=C(Nc1cc(F)cc(F)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 46864154 AGVICQTZSIBIPK-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB COCCN(Cc1ccccc1)Cc1cc(-c2cccs2)on1 48364739 VWJWUWINNSMWSZ-UHFFFAOYSA-N 328.437 4.052 0 40 EIAB c1ccc(CCCN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169327 IYNNDDMHNSLUNS-IBGZPJMESA-N 333.435 4.159 0 40 EIAB biogenic,in-vitro CCCN(Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 58412068 QDCKNLCKXWVZTG-SFHVURJKSA-N 348.284 4.395 0 40 EIAB CC(C)CCC(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1 65622150 WLMKCRSZMIZUER-OAHLLOKOSA-N 335.398 4.114 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 68652774 LHIYPAQOKOOHHY-HNNXBMFYSA-N 337.423 4.005 0 40 EIAB Cc1ccsc1-c1nnc(S[C@@H](C)c2nc(C(C)C)no2)o1 69773507 XUUJSRJOYPCJKE-VIFPVBQESA-N 336.442 4.466 0 40 EIAB O=[S@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1F 69814458 SFFDRJMLXWFBRX-HSZRJFAPSA-N 333.359 4.069 0 40 EIAB O=C(Nc1ncccc1O)c1cn(Cc2ccccc2)c2ccccc12 69899684 YCXXSRZNIJHYQV-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB Cc1ccccc1CN(C)C(=O)CN(C)[C@@H](C)c1ccccc1Cl 71954397 ZINWHTRMBABYGB-INIZCTEOSA-N 344.886 4.300 0 40 EIAB CC(C)CC(=O)Nc1nc(-c2ccc(Br)s2)ns1 72427770 NNCCZXRMQDTVQH-UHFFFAOYSA-N 346.275 4.014 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 78458592 KDXSQFWDJDLREP-FOIQADDNSA-N 341.451 4.292 0 40 EIAB CSc1ccc(CN(C)[C@H](C)c2nc(-c3cccnc3)no2)cc1 79090588 CSXYOBJXAWLZHL-CYBMUJFWSA-N 340.452 4.047 0 40 EIAB CC(=O)N(C)Cc1cccc(NC(=O)N(C)C2CCCCCCC2)c1 79333238 VFEYKXAAXNKZDN-UHFFFAOYSA-N 345.487 4.242 0 40 EIAB CCn1c2ccccc2c2cc(/C=C/C(=O)Nc3nncs3)ccc21 95347428 YMDKZPGUSPIHKD-CSKARUKUSA-N 348.431 4.318 0 40 EIAB C[C@@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc2ccccc2o1 95423185 GGJSDLJECNOUKT-OAHLLOKOSA-N 336.435 4.028 0 40 EIAB C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1noc(-c2ccccc2)n1 95428095 NUANBCPFAZCTBF-SFDCACGMSA-N 346.839 4.400 0 40 EIAB Fc1cccc(Cl)c1CCNc1ccc(O[C@@H]2CCOC2)cc1 95454357 DAYJIYHIMPWOGY-OAHLLOKOSA-N 335.806 4.301 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@@]12CC[C@@H]3CC[C@H](C[C@@H](C3)C1)C2 101279301 PCLLZZCHYLHGSS-KWXDATOUSA-N 347.524 4.350 0 40 EIAB C[C@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102791658 HZPRINBWEYSSMZ-MMNPAVHPSA-N 331.431 4.120 0 40 EIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 216328145 GBWJFWBJLKXNOV-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(F)c1 223212471 KMRAZESFDUXNNO-LBPRGKRZSA-N 331.362 4.250 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1C 223218635 CBELBYXEZZPHAU-DLBZAZTESA-N 337.463 4.437 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1C 224271780 IZFVOBUNUJMKTH-KRWDZBQOSA-N 325.452 4.208 0 40 EIAB Fc1cccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 225836978 YXMYIFVGGDZJJJ-UHFFFAOYSA-N 328.334 4.331 0 40 EIAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2ccccc2)cc1C 409103897 ZQGBFKFWWZLYMH-UHFFFAOYSA-N 337.448 4.168 0 40 EIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 548117327 NJPZEOCQVWAUEJ-SCLBCKFNSA-N 325.456 4.056 0 40 EIAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 618255570 FRIJATWTMVJWSO-SFHVURJKSA-N 336.391 4.110 0 40 EIAB NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 35587 ZNKCNUISNSHKGD-UHFFFAOYSA-N 348.855 4.022 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccccc3)cc2)cc1 346665 YLDMIQSGZIOSKW-UHFFFAOYSA-N 331.371 4.467 0 40 EIAB c1ccc(CSc2nc3sc4c(c3c3nncn23)CCC4)cc1 532746 VMVYODJUSYWPAH-UHFFFAOYSA-N 338.461 4.120 0 40 EIAB O=C(OCCOc1ccc(Cl)cc1)c1cc2ccccc2cc1O 2616310 JUSVYRFJECLACW-UHFFFAOYSA-N 342.778 4.435 0 40 EIAB COc1ccccc1CCC(=O)Nc1nc2c(C)cccc2s1 2628784 XGGMHMORSXFSFP-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(Cl)cc1 4120023 ACTKYSZQKOICGK-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB O=C(CSc1ncnc2ccccc12)Nc1cccc(Cl)c1 4268521 LIGABSPJIXVMNW-UHFFFAOYSA-N 329.812 4.014 0 40 EIAB COc1cc(CNCc2ccco2)ccc1OCc1ccccc1C 5019495 UYKCNDZALBTAFU-UHFFFAOYSA-N 337.419 4.465 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 5411419 JDIXHDWKZGDVEE-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCOc1ccccc1NC(=S)NCCSCc1ccccc1 5980626 RRCGOIDFSMUYAA-UHFFFAOYSA-N 346.521 4.305 0 40 EIAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1Cl 6139664 HQXBAGVFBGDTMX-LLVKDONJSA-N 330.844 4.384 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 6540089 ULIQNYKGAKZUFD-UHFFFAOYSA-N 337.828 4.088 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 6593407 NNOVCLJWSDDZKU-UHFFFAOYSA-N 338.451 4.324 0 40 EIAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)c2ccccc2)cc1 6820963 ZDEBVTSIPBGEQZ-CQSZACIVSA-N 337.448 4.248 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 6949583 VLAPNCXEUKIPID-UHFFFAOYSA-N 340.467 4.163 0 40 EIAB Cc1cc(N)nc(SCc2cc3ccc(C)c(C)c3nc2Cl)n1 7049270 FYVZIRROCUJDRM-UHFFFAOYSA-N 344.871 4.478 0 40 EIAB Clc1ccc(-c2noc(CN3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 7590617 BSYRCJUYJNQRAO-DZGCQCFKSA-N 331.847 4.402 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@@H]2CCCC[C@@H]2C1 7989327 HDTJIAVVRNFQAF-NWDGAFQWSA-N 333.432 4.479 0 40 EIAB COc1ccc(CN(C(=O)c2ccc(-n3cccc3)cc2)C2CC2)cc1 8132196 ZTDNMUIKKBUXER-UHFFFAOYSA-N 346.430 4.291 0 40 EIAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](C(F)(F)F)C1 8883677 RVNXLJCVKZYITQ-LBPRGKRZSA-N 340.370 4.225 0 40 EIAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCc2sccc2C1 10924278 SBDCIJUTOKVKIX-UHFFFAOYSA-N 344.436 4.209 0 40 EIAB CCc1noc(C)c1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 12388849 RYWMGYZPHPWSGB-UHFFFAOYSA-N 345.815 4.032 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1F 12796376 LBXFZOCUXVMLQW-CHWSQXEVSA-N 335.806 4.432 0 40 EIAB Cc1ccccc1[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 12846690 KXAOXFJRPVHXQB-QGZVFWFLSA-N 337.448 4.096 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cccc(CN2CCCC2=O)c1 12936984 DOYAQAULZXGCTJ-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 12978630 GYDDJHJKDJHAAT-LJQANCHMSA-N 340.423 4.285 0 40 EIAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 13131555 ABPWFENKLHEUGN-RBUKOAKNSA-N 334.423 4.132 0 40 EIAB O=C(O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 13166510 XGTBUSOXQDFYNM-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB Cc1ccsc1CN(C)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14115048 CXIWLBDIIBUALA-NSHDSACASA-N 347.509 4.164 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 14398695 VECVYGKRWSUPMX-INIZCTEOSA-N 325.452 4.410 0 40 EIAB Clc1ccccc1OCCSc1nnnn1C1CCCCC1 14406153 PSCFLBKKCOHSME-UHFFFAOYSA-N 338.864 4.003 0 40 EIAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3nsnc3c2)ccc1Cl 15841247 MNTKNVBJTUEXON-SNVBAGLBSA-N 347.827 4.059 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1 20453263 XAJDMEWJKWZLID-MRXNPFEDSA-N 327.424 4.122 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)cc1 20924373 UKKOACGBHPZJRK-NSHDSACASA-N 337.826 4.131 0 40 EIAB Cc1ccc(C)c(Cn2c([C@@H](C)N3CCOCC3)nc3ccccc32)c1 21175794 OVBCJRLLAHUXSH-GOSISDBHSA-N 349.478 4.095 0 40 EIAB Cc1cc2ncn(CC(=O)N[C@@H](C)c3cc4ccccc4o3)c2cc1C 22319828 ASUQNQBBLWCXRY-HNNXBMFYSA-N 347.418 4.277 0 40 EIAB COc1cc(CN[C@H](C)c2cccc(Cl)c2)cc(OC)c1OC 22781603 HJINAYCDMYDJAC-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB CCC(C)(C)NCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 24841344 WRJWWDJEMFBRKA-LJQANCHMSA-N 344.886 4.324 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nncn1C 29615071 IFLHHUXRRRZRES-ZDUSSCGKSA-N 346.500 4.181 0 40 EIAB Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 32739235 QGAHTJLHCGKZSO-UHFFFAOYSA-N 338.329 4.459 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@H]1COc2ccccc2C1=O 35316505 GISZHYLEXPIQKP-CVEARBPZSA-N 345.439 4.058 0 40 EIAB O=C(NCc1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 36709354 BGRSDGKYLMPRDT-UHFFFAOYSA-N 327.434 4.098 0 40 EIAB Cc1nc2ccccc2nc1Cn1c(C(F)(F)F)nc2ccccc21 36729968 VNROSZOGDHVBCM-UHFFFAOYSA-N 342.324 4.355 0 40 EIAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(-n2ccnc2)cc1 40038942 CZTYEOBHFDIJQX-IAGOWNOFSA-N 348.450 4.336 0 40 EIAB CC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(F)c1 41780964 DJYUIIQDOQTOCU-XHBSWPGZSA-N 337.460 4.061 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 44849683 DZURGNNVTCSTNO-MRXNPFEDSA-N 349.430 4.322 0 40 EIAB Cc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n(C(C)(C)C)n1 45785130 NNBRYZDAKQSYBH-UHFFFAOYSA-N 345.491 4.274 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1c2ccccc2C[C@@H]1C 48250295 HCIUJFNGDIUTBY-HNNXBMFYSA-N 345.446 4.009 0 40 EIAB CCCCCOc1ccc([C@@H](C)NC(=O)c2ccncc2)cc1OC 48518141 CMEHIQZEBGBCBE-OAHLLOKOSA-N 342.439 4.150 0 40 EIAB O=C(NCc1ccco1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 50078065 CTNCFIVPMFMTPP-RGMRCXJASA-N 335.447 4.434 0 40 EIAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)c1 54668263 RIJQVJWHQJTFKH-FQEVSTJZSA-N 349.430 4.447 0 40 EIAB O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1c1ccccc1 57153807 YJZKQOYMBHATCO-QFIPXVFZSA-N 348.490 4.262 0 40 EIAB Cc1ccc(N(C)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57412405 YKAQIBAVLWBEIE-UHFFFAOYSA-N 325.799 4.315 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351372 BEDDBVZWXPIDDY-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB COc1ccc(Cl)c(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1 64828906 IUZYLHWXODWEEM-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCCc2ncccc21 69812126 BPEXBMPHSZEKKH-AWEZNQCLSA-N 334.341 4.097 0 40 EIAB CCOC1=C(CN(C)C)[C@H](c2ccc(F)cc2)Oc2ccccc21 71405272 SMZKINMCPJGVHA-IBGZPJMESA-N 327.399 4.269 0 40 EIAB CCc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccccc3)C2)n1 72379089 MHKUUTSFXGSQHI-LJQANCHMSA-N 346.478 4.209 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 72414236 SYOMRHCJNXVMQH-UHFFFAOYSA-N 326.421 4.159 0 40 EIAB CC1(C)OC(=O)c2c1ccnc2N[C@@H](c1ccccc1)c1ccccn1 79002339 BDEZQVLANNTWIO-SFHVURJKSA-N 345.402 4.084 0 40 EIAB Cc1nc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2nc1C 84057455 FKABORBAQLZCHL-UHFFFAOYSA-N 341.414 4.330 0 40 EIAB CCS[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 84811955 NYFAUAKPMYCECJ-HUUCEWRRSA-N 338.521 4.267 0 40 EIAB Cc1cc(CN2CCC(n3ccnc3)CC2)ccc1Oc1cccnc1 92648747 LPGWZSDKJSNNDI-UHFFFAOYSA-N 348.450 4.216 0 40 EIAB Cc1ccc([SH](=O)=NNc2ccc(C(=O)C(C)(C)C)cc2)cc1 96319145 AIGVEXSIBABFOK-UHFFFAOYSA-N 330.453 4.274 0 40 EIAB O=C(O)CS/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 96891472 PRNOAZCCKUBJHV-OQLLNIDSSA-N 343.429 4.318 0 40 EIAB CCS[C@H]1CCCC[C@H]1NCc1nc(CCc2ccccc2)no1 97165597 WUMJHCRAWFMXRZ-SJORKVTESA-N 345.512 4.009 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(-n2cc[nH]c2=S)c1 109027409 ANJBLUNBUMNONK-MELADBBJSA-N 327.453 4.300 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 219055324 SSNPPVYDPGMVLE-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 222759530 PWQVXVQXAMWIHT-CQSZACIVSA-N 331.843 4.490 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 223014085 CQXXKWQGWUJBBF-UHFFFAOYSA-N 347.480 4.261 0 40 EIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C 223505422 GSRQLXLGISLNRI-OAHLLOKOSA-N 335.444 4.099 0 40 EIAB Cc1nc(NC(=S)NC2CCCC2)c(Br)cc1Cl 224033091 KMESFYPKXUVLJU-UHFFFAOYSA-N 348.697 4.035 0 40 EIAB Cc1ccc(CS(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224171415 JYRAZJSFTOTARI-UHFFFAOYSA-N 337.444 4.189 0 40 EIAB CCn1nc(C)c2nc(C(C)C)nc(Nc3ccc(OC)cc3)c21 226688453 QDYKJCPYKHUFFG-UHFFFAOYSA-N 325.416 4.030 0 40 EIAB O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247514878 VDMHBLZZKLQJCE-HZSPNIEDSA-N 328.481 4.343 0 40 EIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc2ccccc2o1 248029148 NTQOHBOQTGDRHH-IEBWSBKVSA-N 346.430 4.189 0 40 EIAB COc1cc(C(=O)COCc2ccccc2)c(Cl)cc1Cl 390726398 DWWWVJCYPATDBE-UHFFFAOYSA-N 325.191 4.402 0 40 EIAB Cc1cc(C)c(Cc2noc(Cc3c[nH]c4ncccc34)n2)c(C)c1 547024342 AIVWCARXRRYBKM-UHFFFAOYSA-N 332.407 4.053 0 40 EIAB C[C@@H](NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F 585080292 ZCCQMCYCLXWIEG-CYBMUJFWSA-N 332.444 4.362 0 40 EIAB O=C(COc1cc(-c2ccccc2)nc2ccccc12)N1CCCCC1 163615 VPESDZBNLLFLLN-UHFFFAOYSA-N 346.430 4.293 0 40 EIAB c1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCC2)cc1 274338 LDIWVFCNNNPNON-UHFFFAOYSA-N 344.462 4.442 0 40 EIAB O=C1CN=C(c2ccccc2Cl)c2c(sc3c2CCCC3)N1 419066 WHKXFICFUBFFBN-UHFFFAOYSA-N 330.840 4.070 0 40 EIAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNc2ccccc2)CCCC1 571473 VUIDSLGOAMDLLG-GOSISDBHSA-N 334.463 4.302 0 40 EIAB O[C@H]1c2cc(Cl)cc(Cl)c2O[C@@]2(N3CCCC3)CCCC[C@@H]12 1573983 WLUNTGWRRIECID-QRTARXTBSA-N 342.266 4.402 0 40 EIAB O=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1c1ccccc1 1751849 DMGKGYMUARIOQO-UHFFFAOYSA-N 340.382 4.083 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)cc1C)C3 2443864 XZNOUYRMPFUTAW-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB Cc1cc(-n2c(C)cc(C(=O)COc3ccc(Cl)cc3)c2C)no1 3412772 OXGFPYLNKLRLNK-UHFFFAOYSA-N 344.798 4.306 0 40 EIAB C[C@]12Cc3conc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 3876108 NSYTUNFHWYMMHU-IYRCEVNGSA-N 329.484 4.383 0 40 EIAB biogenic Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 5199103 SDNZDMKSXSVZSH-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB C[S@](=O)c1ccccc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 5284348 DZEFGWYINSYASX-XMMPIXPASA-N 340.448 4.439 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(CN2CCCCC2)cc1 5981846 ZZIWPLYEKYTYJK-UHFFFAOYSA-N 338.451 4.242 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 6377320 OODXCWHASGSFHU-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccccc1Cl 7092982 WIHCKDKPRAIKGV-NSHDSACASA-N 345.855 4.346 0 40 EIAB CCOc1ccc2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1 7344352 MMJVQNKOUHLKKB-UHFFFAOYSA-N 334.375 4.352 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)cc1N1CCCC1=O 7944720 KEAZHJRGQIAJOY-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CC1CCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC1 8062063 DHPCTPUKHGSMKU-UHFFFAOYSA-N 334.514 4.167 0 40 EIAB Cc1nc2cc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)ccc2o1 8706794 ZUVBCHMVPNHXOP-HXUWFJFHSA-N 349.434 4.302 0 40 EIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccccc3)ccc21 9164875 YSWBJQSWALLKTL-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1C 10544574 OJLRCVWLIGGBSG-KRWDZBQOSA-N 333.435 4.200 0 40 EIAB Cc1cc(C)n(-c2ccc(SCc3cccc4cccnc34)nn2)n1 11142709 YDYXLDGUWGQUTI-UHFFFAOYSA-N 347.447 4.120 0 40 EIAB O=C(CSc1ncn(-c2ccccc2)n1)c1ccc2ccccc2c1 11475719 NPQYXSSKMKYHPE-UHFFFAOYSA-N 345.427 4.396 0 40 EIAB O=C(O)c1ccc(COc2ccccc2C(=O)Nc2ccccc2)cc1 11887587 OWSRHBTZNUCAPC-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)nc1 12360614 YOPCLWRHHIPDAA-UHFFFAOYSA-N 327.453 4.225 0 40 EIAB O=C(Cc1ccsc1)Nc1ccc2c(c1)nc1n2CCCCC1 12564052 AJPVBSRWIQBBGV-UHFFFAOYSA-N 325.437 4.005 0 40 EIAB COc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 12618520 RIYYUUKSCDDDDD-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB O=C(O)c1cccnc1SCCOc1c(Cl)cccc1Cl 12750871 JNIFOEPJNMCDGM-UHFFFAOYSA-N 344.219 4.258 0 40 EIAB COc1cc(OC)c(NC(=O)C[C@@H](C)c2ccccc2)cc1Cl 12774609 ITDNCWIXXSJWIE-GFCCVEGCSA-N 333.815 4.490 0 40 EIAB CC(C)Cn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccco1 12810404 WSBLXXMWSZIVAK-HNNXBMFYSA-N 343.452 4.020 0 40 EIAB O=C(CCC(=O)c1cccs1)NCc1cccc(C(F)(F)F)c1 13010625 BPERYNPOVPELCA-UHFFFAOYSA-N 341.354 4.046 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cccc(Cl)c1Cl 13265249 VCQWNMDJRBTWEZ-WBMJQRKESA-N 334.250 4.354 0 40 EIAB COc1cccc([C@@H](C)NC(=O)Cc2c(Cl)cccc2Cl)c1 13327894 XOPYKMYYJWLYJD-LLVKDONJSA-N 338.234 4.422 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2cccc(C)c2)CC3=O)cc1 14164242 KWUFRIVNBMVZLV-QGZVFWFLSA-N 346.430 4.410 0 40 EIAB C[S@@](=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 14350390 YVCDEFWUTQXEGC-VWLOTQADSA-N 347.439 4.248 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OC 16029676 XTMMFBMLHPUDCR-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC1CC1 16218183 NTSNXIFAEGATTN-UHFFFAOYSA-N 346.477 4.041 0 40 EIAB CCNc1c(NC(=O)c2cccc(Cl)c2)c(=O)oc2ccccc12 16681922 UVIKEWKNELTWRS-UHFFFAOYSA-N 342.782 4.131 0 40 EIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(Cl)c1 20138059 MPKLBRXXNBMJAR-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccccc2)cc1-c1ccc(CO)o1 20145044 GPDPWYZZTNEQMW-KPKJPENVSA-N 349.386 4.099 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 20528999 PZUHAJSKMAOLKT-UHFFFAOYSA-N 341.407 4.291 0 40 EIAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 20662106 DBPSZLJAKWWBCE-UHFFFAOYSA-N 343.434 4.353 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)C1(c2cccc(F)c2)CCC1 22847779 SIHYGENDQJAHAC-UHFFFAOYSA-N 339.410 4.235 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(F)cc1F 22976816 ULTHRGWLLLZOSB-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB Cc1nc(NC(=O)C[C@@H]2C=CCC2)sc1-c1nccn1C(F)F 24987440 YWNBCHMQCQJLMH-SNVBAGLBSA-N 338.383 4.005 0 40 EIAB CN1C(=O)N(Cc2ccc(C(C)(C)C)cc2)C(=O)C12CCCCC2 29464812 RXJZERBXIOWQRW-UHFFFAOYSA-N 328.456 4.081 0 40 EIAB CCOCc1ccccc1CNC(=O)c1ccccc1C(F)(F)F 30508556 CVYJSVSKZYFOMB-UHFFFAOYSA-N 337.341 4.172 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc1 30871016 VYUQAHBSJQMWTJ-AWEZNQCLSA-N 347.455 4.064 0 40 EIAB CC(C)[C@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccccc1 32672087 QDUHPVMHZYRKEX-SFHVURJKSA-N 345.826 4.089 0 40 EIAB Cc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2o1 32752868 IKAMFFSHZNERBZ-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(F)cc3)cs2)o1 32816070 SLMACZUJIKGTSN-GFCCVEGCSA-N 344.411 4.271 0 40 EIAB Cc1ccc(/C=C2\S/C(=N/c3ccc(F)c(Cl)c3)NC2=O)o1 35646948 ITBFERHCPNRIJF-QPEQYQDCSA-N 336.775 4.272 0 40 EIAB CCOc1ccc(Oc2ccccc2NC(=O)c2cc(C)no2)cc1 36877289 DPFOEOQQWPEDLQ-UHFFFAOYSA-N 338.363 4.426 0 40 EIAB N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 38127941 RZLPPZWSLSEFHW-CQSZACIVSA-N 328.612 4.484 0 40 EIAB in-vitro O=C(OCc1cc(-c2cccs2)on1)c1nc2ccccc2s1 38767070 OUVVOWDMEGYLGO-UHFFFAOYSA-N 342.401 4.370 0 40 EIAB NC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2F)c1 40106531 KUSTZMAGPVGTCT-UHFFFAOYSA-N 349.365 4.236 0 40 EIAB C[C@H]1CCc2sc(C(=O)Nc3cccc(-n4ccnc4)c3)cc2C1 40119363 IMUNHYJQYZVSPB-ZDUSSCGKSA-N 337.448 4.311 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1cccc(C)c1 44838939 XRBDHKWINSUBAN-IBGZPJMESA-N 329.415 4.041 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(OC(C)C)c1 44946771 NVJMIQQAQAFCRN-OAHLLOKOSA-N 327.424 4.442 0 40 EIAB CC(C)NC(=O)Nc1ccccc1NC(=O)CCCc1cccs1 47375585 KVAOAUQSRZSSCZ-UHFFFAOYSA-N 345.468 4.239 0 40 EIAB O=C(NCc1ccoc1)Nc1cccc(OCc2cccc(F)c2)c1 48162737 JOOBDOPOASEHFJ-UHFFFAOYSA-N 340.354 4.319 0 40 EIAB Cc1nc(C)c([C@@H](C)NC(=O)CCCC(=O)c2ccc(F)cc2)s1 58281559 LDJYHDLWYKZHPX-GFCCVEGCSA-N 348.443 4.129 0 40 EIAB COc1ccc(-n2ccc(CNc3nc4ccccc4s3)n2)cc1 58355714 PGADVOCZHBNMNX-UHFFFAOYSA-N 336.420 4.103 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)no1 58377566 WQMRVBGCTBYBCA-CQSZACIVSA-N 342.292 4.118 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351945 VBMVTGABRQWPIC-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)c(Cl)c1 59898252 VVWFZLZKOFVAFI-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)c(Cl)c1 65591090 JBIIVIAZGVEGNV-UHFFFAOYSA-N 342.153 4.171 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1cn[nH]c1-c1cccc(Cl)c1 72328855 YNTOZDVMBUDXSK-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 72331638 MSYPNDJZDMFDNP-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB c1ccc(CN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377362 VLYGXCVGADCECR-MRXNPFEDSA-N 337.452 4.014 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccncc2F)cc1 95400412 OMTWIABYZRGVKY-UHFFFAOYSA-N 349.365 4.034 0 40 EIAB Cc1nc(C(C)(C)NC(=O)c2ccc(F)c(Cl)c2F)sc1C 95986372 MUCWFDOBIJGLSI-UHFFFAOYSA-N 344.814 4.357 0 40 EIAB C[C@@H](NC[C@]1(CCO)CCOC1)c1cc2c(ccc3ccccc32)o1 97034659 DUHKCAMTTOUQPZ-VFNWGFHPSA-N 339.435 4.026 0 40 EIAB CCC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 100746165 OPDBPJWZYLLHKS-ZMRLAQFASA-N 344.451 4.141 0 40 EIAB CCN1C(=O)[C@@H](Cc2ccc(C)cc2)c2cc(Br)ccc21 101015086 QOHZQWVHXRPVSI-INIZCTEOSA-N 344.252 4.450 0 40 EIAB O=C(NC1CCCCC1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102716337 RGWGQLBFUPUQLE-PFNKYVCDSA-N 330.299 4.291 0 40 EIAB O=C(NCc1ccco1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 103537253 CTNCFIVPMFMTPP-UOBYYGQQSA-N 335.447 4.434 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)[C@@H]1C[C@H]2CC[C@H]1C2 108071617 QXEPLJMGGYGXHK-MQIPJXDCSA-N 340.448 4.215 0 40 EIAB COc1ccc(CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccncc2)cc1 108350932 LGGISAPQDZOUDA-ABSDTBQOSA-N 336.435 4.060 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c1 219541655 GRFSTAMSZLITKY-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CCOc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 223559675 SBLRJNWKGIVAIC-UHFFFAOYSA-N 335.403 4.047 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224425112 VBPVDTACWNWHSX-WMZOPIPTSA-N 325.452 4.299 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)NCC1=CCCCC1 225099685 OBGUACBKVCIUOL-UHFFFAOYSA-N 327.852 4.329 0 40 EIAB O=C(Cc1ccccc1F)NCCSCc1ccccc1Cl 225444508 ZWOHNHWFUSHOSO-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1C(F)(F)F 225598755 KVCYKIYVKFHDSD-LBPRGKRZSA-N 349.352 4.001 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 585081915 ZOYPFEDCYRIOFY-IBGZPJMESA-N 326.444 4.002 0 40 EIAB Fc1ccc(COc2ccc(CSc3cnccn3)cc2)cc1 607956066 YPRMSNDHPCRKNQ-UHFFFAOYSA-N 326.396 4.487 0 40 EIAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1 63179 XCGVQKJXGUTYFA-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CC1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 143779 ZDZSRZQASJUVNJ-UHFFFAOYSA-N 342.675 4.067 0 40 EIAB COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccco3)C[C@@H]21 221390 MRXPNSQWHZIUDF-INIZCTEOSA-N 338.407 4.492 0 40 EIAB c1ccc(SCc2cc(N3CCCC3)nc(-c3ccncc3)n2)cc1 1383079 VDFLPINNWTZJEA-UHFFFAOYSA-N 348.475 4.431 0 40 EIAB CN(C)CCOC(=O)c1ccc(COc2cccc3ccccc23)cc1 2750814 AJSNPOILTPJCQT-UHFFFAOYSA-N 349.430 4.137 0 40 EIAB COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1OC 3247830 MTQAEMUKWGKDOE-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1cccc(Br)c1 3516016 UCSDJEKMLHAESC-UHFFFAOYSA-N 340.604 4.120 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3cc2OC)c1 3517511 HZKQNYHMOUAITQ-UHFFFAOYSA-N 349.386 4.196 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3)cs2)cc1 4570725 MQVQVJNFKIKXGD-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(F)cc1 5584301 SCCKYRCSGJQDKS-UHFFFAOYSA-N 349.452 4.322 0 40 EIAB CCc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(F)cc1)=N2 6134981 SNGINLJKBQEYOD-UHFFFAOYSA-N 344.393 4.217 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccccc2F)o1 6653523 SPBULJXKQPPHPT-UHFFFAOYSA-N 329.356 4.067 0 40 EIAB O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 6840714 UBYVMULAFZKRHL-UHFFFAOYSA-N 344.370 4.489 0 40 EIAB c1ccc(Cn2cc(CNCc3ccco3)c(-c3ccccc3)n2)cc1 8428733 IGQZMJNLZKEEPF-UHFFFAOYSA-N 343.430 4.481 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 8765244 RJZJZSOGCXGQSA-UHFFFAOYSA-N 335.407 4.088 0 40 EIAB biogenic COc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1 8876373 NBPSCNCEZRKNLS-GUYCJALGSA-N 344.480 4.056 0 40 EIAB COc1ccc(CN(C)C(=O)/C(=C/c2ccco2)c2ccccc2)cc1 9699480 ZJBALXFQVZIXDP-RCCKNPSSSA-N 347.414 4.487 0 40 EIAB CSc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(C)cc1)N2 10156726 JACVZKOCGIADLP-KRWDZBQOSA-N 334.448 4.364 0 40 EIAB CSc1ccc(CC(=O)Nc2nc3c(F)cccc3s2)cc1 10252397 CYJGEAIQVCRERI-UHFFFAOYSA-N 332.425 4.339 0 40 EIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1 12062605 FZCIXGXWRFWRSR-UHFFFAOYSA-N 337.379 4.086 0 40 EIAB CC(C)OCCCN(Cc1ccc2ncccc2c1)Cc1ccccn1 12118138 SITWOXNIBKIDJU-UHFFFAOYSA-N 349.478 4.447 0 40 EIAB Cc1cc(C)n(-c2cc(Oc3ccccc3OC(C)C)nc(C)n2)n1 12389943 NISUYCVYMPWJGR-UHFFFAOYSA-N 338.411 4.167 0 40 EIAB O=C(C[C@@H]1C=CCC1)Nc1c(-c2ccc(F)cc2)nc2sccn12 12520733 KDIRDPKPSOMIJE-GFCCVEGCSA-N 341.411 4.497 0 40 EIAB CC(C)c1ccc(-c2nc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)cc1 13015390 TWVLHMKQKQAIKK-ZIAGYGMSSA-N 344.480 4.183 0 40 EIAB OCCOc1c(Cl)c(C(Cl)(Cl)Cl)nc2ccccc12 13283507 KAUWCTICILPGCH-UHFFFAOYSA-N 341.021 4.086 0 40 EIAB Cc1ccc(NC(=O)[C@@H](Sc2ncccn2)c2ccccc2)cc1 14075810 DKSASEDGYMLTCR-KRWDZBQOSA-N 335.432 4.257 0 40 EIAB Cc1ccccc1OCCn1cnc2c(Cl)cc(Cl)cc2c1=O 14139163 KTGCWFJUVVXLOZ-UHFFFAOYSA-N 349.217 4.091 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 14159811 VZJBTUMZBBRETN-UHFFFAOYSA-N 342.420 4.105 0 40 EIAB COc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14399166 HURGGQZDJUQSIM-CQSZACIVSA-N 347.842 4.049 0 40 EIAB CC[C@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC 14824901 RNCWKUCWPBNWOH-RJCOHJNNSA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro COc1ccc(-c2nc(CNC(=O)c3cccc(C)c3)cs2)cc1 15832630 UPHYUJVMXDYYBZ-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB c1ccc(Nc2cc(-c3ccsc3)nc([C@H]3CCCNC3)n2)cc1 19373268 SVQPTOBIESFBRS-AWEZNQCLSA-N 336.464 4.416 0 40 EIAB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1O 19964573 FLWMVIXHGXVXBF-UHFFFAOYSA-N 336.229 4.392 0 40 EIAB Cc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 20021955 MEDILIATPRFHSX-UHFFFAOYSA-N 326.396 4.434 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)OCc1noc(-c2ccsc2)n1 23005595 IMLMZKBMKIGEGZ-LLVKDONJSA-N 346.433 4.022 0 40 EIAB COc1ccc(OC)c(CN[C@H](C)c2cc3cccc(OC)c3o2)c1 28925821 WNZNNQXYLMBCFI-CYBMUJFWSA-N 341.407 4.309 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 33039541 XXPZMIDMEJXTEW-LSDHHAIUSA-N 342.405 4.213 0 40 EIAB Cc1ccc(OCc2nnc3sc(-c4ccccc4C)nn23)cc1 35655367 OQJYKCAFABNHNY-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1 36357497 KNKAYJSHOCANQR-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB CCCCCc1ccc(C(=O)OCC)cc1I 39951832 VSRMMQFUCDQJFN-UHFFFAOYSA-N 346.208 4.201 0 40 EIAB COc1cc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc(OC)c1 40097696 LRDCLHBMRSWLFX-GFCCVEGCSA-N 332.375 4.068 0 40 EIAB CCc1ncncc1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 56269744 WMGSNOYXTSOXBP-UHFFFAOYSA-N 345.830 4.266 0 40 EIAB CN(Cc1nnc(-c2ccccc2)o1)Cc1c(F)cccc1Cl 56696535 HVMGRUDHPLFMRC-UHFFFAOYSA-N 331.778 4.161 0 40 EIAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1nccc2ccccc12 58433833 VEYHAVQUVRBVSX-GOSISDBHSA-N 348.402 4.045 0 40 EIAB CN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCCc2ccccc21 60447253 DCPWQPGBBQJMKK-GOSISDBHSA-N 329.827 4.255 0 40 EIAB O=C(CCCOc1ccccc1)NCCSc1ccc(Cl)cc1 60958397 KTXDUZLXCFWFCJ-UHFFFAOYSA-N 349.883 4.408 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)o1 65533873 KRWGGACGYUIXMT-KDOFPFPSSA-N 347.418 4.132 0 40 EIAB CC(C)Oc1cc(C(=O)NCc2ccccc2F)cc2occc12 71195354 XZJPMQIUGUHNRJ-UHFFFAOYSA-N 327.355 4.289 0 40 EIAB Cc1cc(C)c(CNC[C@H](O)c2ccc(OC(C)C)cc2)c(C)c1 72286596 KZQDXZBEMADELV-NRFANRHFSA-N 327.468 4.222 0 40 EIAB Cc1cnc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)o1 72632750 QZYLYJWBCTXDPC-MRXNPFEDSA-N 338.455 4.293 0 40 EIAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@@H](O)c1ccc(F)cc1 78673093 RNYSWRHGNRINSN-ISVAXAHUSA-N 348.727 4.427 0 40 EIAB Cc1cccnc1CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 80117844 IQPSWKJPVARGMA-HXUWFJFHSA-N 335.451 4.142 0 40 EIAB C[C@@H](c1ccccn1)N(C(=O)NCC1(c2ccccc2)CC1)C1CC1 86361373 AFZLRXPKKPJBAL-INIZCTEOSA-N 335.451 4.048 0 40 EIAB CC(=O)Nc1cc(NCc2cn[nH]c2-c2cccc(C)c2)ccc1F 89784958 VDGXQCRBMPPHHC-UHFFFAOYSA-N 338.386 4.095 0 40 EIAB CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc[nH]n1 89869619 WNBFCCMEYRSMPX-UHFFFAOYSA-N 343.427 4.328 0 40 EIAB CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4cc3O)cnc21 95348789 QBCVZFRBVGXWIK-UHFFFAOYSA-N 346.390 4.123 0 40 EIAB COc1cc([C@H](C)N[C@H](C)Cc2c(C)noc2C)ccc1SC 95422811 LDNHWBJJLJCOLE-NEPJUHHUSA-N 334.485 4.304 0 40 EIAB Cc1ccc2c(c1)OCCC[C@H]2NCc1nccn1Cc1ccccc1 95423415 SSGRQHSRJZVBJH-HXUWFJFHSA-N 347.462 4.243 0 40 EIAB Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cc(F)cc(F)c1 95433553 WHYKXWJRAKMZLG-UHFFFAOYSA-N 334.753 4.338 0 40 EIAB CCc1onc(C)c1NC(=O)Nc1ccccc1OC(F)(F)F 95942591 LCCXLVHAYASUKZ-UHFFFAOYSA-N 329.278 4.088 0 40 EIAB O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1ccc[nH]1 95997250 DPUMLNDDWKRSDE-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 97134868 DZOBQJCOHWQTRE-SECBINFHSA-N 338.190 4.213 0 40 EIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1sccc1SC 107129115 LADPCTODLOOKRE-UHFFFAOYSA-N 348.493 4.204 0 40 EIAB CC[C@H](C(=O)N(Cc1cccs1)C1CCOCC1)c1ccccc1 206673772 LBIGZRHLAYGLDB-IBGZPJMESA-N 343.492 4.450 0 40 EIAB O=C(Nc1cccs1)N(CCc1cccs1)C1CCOCC1 207963148 UWOLSSZTDUPSPC-UHFFFAOYSA-N 336.482 4.065 0 40 EIAB O=C(O)c1cc(OCc2c(F)cccc2Cl)cc(Cl)c1O 216932684 CJSUWIZQIYPLOG-UHFFFAOYSA-N 331.126 4.115 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219594947 XVAGLGPGJJTOPD-PXNSSMCTSA-N 341.451 4.045 0 40 EIAB COC(=O)c1cn(C(=O)CCSc2ccccc2)c2ccccc12 222571277 AGRXPUGVVYGQDZ-UHFFFAOYSA-N 339.416 4.251 0 40 EIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C 222903894 VHZLVBGREMEDQO-HUUCEWRRSA-N 331.510 4.080 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccc(F)cc1 223744893 VOMXZKMNSVISEK-FMIVXFBMSA-N 327.399 4.158 0 40 EIAB COc1ccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1Cl 225123091 FWWIPBFXMUWVGB-KRWDZBQOSA-N 334.799 4.040 0 40 EIAB C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(Oc2ccccc2)cn1 528005682 LBDAWVQNBQYXJB-HYUNPYRHSA-N 326.440 4.336 0 40 EIAB CCc1cc(C(=O)Nc2cc(C(C)(C)C)cc3cccnc23)cc(O)n1 529940141 BPILKTPRXDTSPK-UHFFFAOYSA-N 349.434 4.448 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1noc2c1CCCC2 575620585 LAXGVRZAAQEECU-GFCCVEGCSA-N 340.448 4.129 0 40 EIAB Cc1ncn(-c2ccc(NC[C@@H]3CCOc4ccccc43)cc2)c1C 643354086 AKDXKTZWMJFWCO-KRWDZBQOSA-N 333.435 4.467 0 40 EIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2[nH]cnc2c1 146215 HKTPTQZPWVDUND-UHFFFAOYSA-N 343.386 4.394 0 40 EIAB Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1C 233211 JWXWILKTPOXEQQ-UHFFFAOYSA-N 335.359 4.368 0 40 EIAB CC(C)CN(CC(C)C)C(=O)c1ccccc1NC(=O)c1ccco1 351448 WJOXBWUGXJUTIG-UHFFFAOYSA-N 342.439 4.286 0 40 EIAB COc1cc(OC)c(C(=O)Oc2cc(C)ccc2C(C)C)cc1OC 365237 UDHAJPVPICVXDQ-UHFFFAOYSA-N 344.407 4.363 0 40 EIAB Cc1ccc(Nc2nc(N)nc(Nc3ccc4ccccc4c3)n2)cc1 1653039 SKUOTLRBEYFZRR-UHFFFAOYSA-N 342.406 4.403 0 40 EIAB COc1cc(C)ccc1S(=O)(=O)Oc1cccc(Cl)c1Cl 2182624 VIYOHDDLHFKEDB-UHFFFAOYSA-N 347.219 4.078 0 40 EIAB O=C(c1ccc(CN2CC=CC2)cc1)c1cccc(Br)c1 2514893 HGQZFGHKTRBOMN-UHFFFAOYSA-N 342.236 4.052 0 40 EIAB CCCOc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 2621691 RBOCDZRSPHYZTD-UHFFFAOYSA-N 330.384 4.477 0 40 EIAB Cc1ccc(-c2csc(=S)n2CC(=O)N2CCCCC2)cc1 2655834 HOPOMWKKIPQYMJ-UHFFFAOYSA-N 332.494 4.267 0 40 EIAB Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 2706852 DPDNIUCKXHBCLF-UHFFFAOYSA-N 337.419 4.149 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 3555990 IMTRJBOHNXZBRQ-UHFFFAOYSA-N 337.297 4.053 0 40 EIAB Cc1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 4356581 IPAABTGAAYIUCE-UHFFFAOYSA-N 336.416 4.473 0 40 EIAB O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(F)cc2)o1 4538714 NHAGFVMCEACIIM-UHFFFAOYSA-N 325.295 4.036 0 40 EIAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccccc1 4814992 WBRYXGGTCDIRTB-MOPGFXCFSA-N 346.434 4.002 0 40 EIAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854368 YOWKYMKXRCIRBH-QGZVFWFLSA-N 341.411 4.326 0 40 EIAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C1=O 4856330 RIZSTACIMQUWKD-JSJNYSNDSA-N 333.431 4.177 0 40 EIAB N=C1NC(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 5649656 SDLBXIXTAMAVRD-WUXMJOGZSA-N 339.203 4.392 0 40 EIAB CC(C)c1cc(O)c2c(c1O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1 5733676 MCMQSPNBTJWIEO-LRDNONRASA-N 330.424 4.287 0 40 EIAB CSc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F 5885683 VHWFOGSMIKIMBM-UHFFFAOYSA-N 347.383 4.228 0 40 EIAB Cn1c(C(=O)c2ccccc2)c(C(=O)c2ccccc2)sc1=S 5886777 SSPJHPINVJIFDR-UHFFFAOYSA-N 339.441 4.278 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl 6051494 AHYATNDADNIRJP-LLVKDONJSA-N 336.218 4.350 0 40 EIAB [O-][n+]1c2c(n(O)c1-c1ccc(Cl)cc1)-c1cccc3cccc-2c13 6226642 WIIKJJDAFZAFJV-UHFFFAOYSA-N 334.762 4.480 0 40 EIAB COc1cc(C)c(NC(=O)c2oc3ccccc3c2C)cc1OC 6258874 BVXPNVGFDYLOGF-UHFFFAOYSA-N 325.364 4.319 0 40 EIAB Cc1ccccc1C(=O)NCCc1csc(-c2cccs2)n1 6661257 IDRTUUKCUINNJZ-UHFFFAOYSA-N 328.462 4.153 0 40 EIAB CCN(C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 6939069 UXWBZOSDJIYNIY-HNAYVOBHSA-N 339.907 4.433 0 40 EIAB COc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 6940796 GTVGXWWRBVWNDU-UHFFFAOYSA-N 347.418 4.498 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)ccc1Cl 7605991 XMTBNGCJOWRBAV-OLZOCXBDSA-N 335.806 4.432 0 40 EIAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Cl)C1=O 7981244 SOYVTOBFCLFZGN-IBGZPJMESA-N 342.826 4.087 0 40 EIAB COc1ccc(OCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8132791 QLFAPANVKDWWDX-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB COc1ccc(CN(C(=O)c2ccc3ncsc3c2)C2CC2)cc1 8428862 JHWGBPTZTGDHBA-UHFFFAOYSA-N 338.432 4.110 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 8494289 ANEJNYIYAVTQBK-QGZVFWFLSA-N 349.883 4.406 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1 8706021 CDULGUUSBZHAHC-UHFFFAOYSA-N 334.828 4.311 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(-c2ccccc2)no1 8916783 JYGASYUGLYNLFB-UHFFFAOYSA-N 342.782 4.321 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9512398 XUNOJFBHQJVWOW-MRXNPFEDSA-N 349.386 4.181 0 40 EIAB COc1ccccc1-c1ccnc2[nH]n(-c3ccc(C)c(C)c3)c(=O)c12 10157184 VPFKPAKKZYOZEU-UHFFFAOYSA-N 345.402 4.006 0 40 EIAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1 12418115 VXIHAEZSNHRDEK-GFCCVEGCSA-N 329.400 4.356 0 40 EIAB CCc1sc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1C 12628671 XKUUOPRRDJTNAD-OAHLLOKOSA-N 339.464 4.473 0 40 EIAB C[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1 12764051 XXNQZAYOZKHZHD-LBPRGKRZSA-N 326.396 4.440 0 40 EIAB Cc1ccc(-c2nc(CN(Cc3ccc(F)cc3)C3CC3)no2)cc1 12777636 FHPKUMJXEKWCSS-UHFFFAOYSA-N 337.398 4.349 0 40 EIAB CC(C)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 12980226 HBWPEDPSDIQXGU-UHFFFAOYSA-N 325.408 4.153 0 40 EIAB COc1ccccc1NC(=S)NCc1ccc(Cl)cc1Cl 13577444 BQWGSBGPQSCRAW-UHFFFAOYSA-N 341.263 4.489 0 40 EIAB C[C@@H]1CCCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)C1 13668827 CFGSGSPULYIXHA-GOSISDBHSA-N 348.490 4.117 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1cccs1 14163363 XBQULIUNJZZFFR-JTQLQIEISA-N 332.450 4.193 0 40 EIAB COc1ccc(OCCCC(=O)Nc2cccc3cccnc23)cc1 14517590 XBEKWTXYVFHUOW-UHFFFAOYSA-N 336.391 4.041 0 40 EIAB CN1/C(=C\C=C2/N=C(c3ccccc3)OC2=O)C(C)(C)c2ccccc21 16101956 DRLIYWXDCOMNNN-PHGFRJIASA-N 344.414 4.185 0 40 EIAB COc1ccc(-c2onc(C)c2-c2ccnn2-c2ccccc2)c(O)c1 16756728 VBPOXYJSBFCDGS-UHFFFAOYSA-N 347.374 4.217 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C 20105771 OGFCIPMMWKOJMT-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB Cc1cc(C(=O)COC(=O)c2sccc2-n2cccc2)c(C)s1 22474129 AEGFHZDQTZBGMX-UHFFFAOYSA-N 345.445 4.257 0 40 EIAB CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1ccc(F)cc1 22476756 PIXKEAWNXRHARP-UHFFFAOYSA-N 344.411 4.446 0 40 EIAB Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccco2)c1 22505072 YTOGEPNXZLHQMJ-UHFFFAOYSA-N 338.432 4.373 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCCc2ccc(OC(C)C)cc2)c1 22528494 XGOCZKFAXJFXIC-UHFFFAOYSA-N 339.479 4.382 0 40 EIAB COc1ccccc1CC(=O)Nc1ccccc1N1CCCCCC1 22829165 LBNNGHGPJPMPEX-UHFFFAOYSA-N 338.451 4.257 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 24780822 KVFYJRZBIMQZDN-CYBMUJFWSA-N 338.436 4.115 0 40 EIAB Cn1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 27156232 SOEGYYDRRILUEW-UHFFFAOYSA-N 340.433 4.011 0 40 EIAB Fc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222475 XEORSQHNGCVMDU-FQEVSTJZSA-N 335.426 4.238 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)N1C(=O)CSc2ccccc21 28527696 SDGBQQCTNSDNBF-UHFFFAOYSA-N 332.812 4.319 0 40 EIAB CCOCc1ccccc1CNC(=O)c1ccc(C)c(-n2cccc2)c1 30178030 AJLKOUCPKYSGNY-UHFFFAOYSA-N 348.446 4.252 0 40 EIAB Fc1ccc(-c2ccc(CNC[C@H]3COc4ccccc4O3)o2)cc1 32740379 WPFALZCPSHKESS-KRWDZBQOSA-N 339.366 4.015 0 40 EIAB Cc1cccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc12 35313368 OHLJAGZJVAWBFI-UHFFFAOYSA-N 339.464 4.356 0 40 EIAB CC(C)CNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 37526140 JTZDTOWBTJMUKL-UHFFFAOYSA-N 330.428 4.276 0 40 EIAB CC(C)CCN(CCC(C)C)C(=O)c1cc2ccccc2[nH]c1=O 40072302 PGWZDMATWPLYAX-UHFFFAOYSA-N 328.456 4.063 0 40 EIAB CC1=C[C@@]2(Nc3cccc(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545293 OTFQPYVFPSLVDS-NRFANRHFSA-N 345.402 4.443 0 40 EIAB CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 44946713 SNFBLXDATAKEQK-SFHVURJKSA-N 344.414 4.068 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1 46184437 ZBULMZXEBIURRY-UHFFFAOYSA-N 334.778 4.009 0 40 EIAB CCCCOc1ccc2cc(C(=O)N[C@H](C)c3cccnc3)[nH]c2c1 47752319 FYYKGEJNGLVNAS-CQSZACIVSA-N 337.423 4.233 0 40 EIAB O=C(Nc1cccc(C(=O)N2CC[C@H]2c2ccccc2)c1)c1ccco1 53085884 RIMPAJIFVPWCHR-SFHVURJKSA-N 346.386 4.119 0 40 EIAB C[C@H](CC[C@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 58417637 STAQJLYYZSFGBZ-GDBMZVCRSA-N 336.435 4.399 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1occc1C 65620654 XCEORCONEHMNPE-CYBMUJFWSA-N 340.423 4.021 0 40 EIAB Cc1ccc(NC(=O)Cc2c(C)[nH]c3ccccc23)c(CN(C)C)c1 69744492 JAOOTKNIFOSERW-UHFFFAOYSA-N 335.451 4.028 0 40 EIAB CN(C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72212687 RKJDAVUKQAKDJO-GOSISDBHSA-N 339.439 4.011 0 40 EIAB CC(C)c1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)n[nH]1 72275263 LRXAUOZVFYNFJM-UHFFFAOYSA-N 346.500 4.010 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)O[C@@H](c2ccccn2)C(C)C)cs1 72287218 GSNOSKSQFFSWCS-CXAGYDPISA-N 348.468 4.119 0 40 EIAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(CC(C)(C)C)C2)n1 72353601 CHSILKWQWOMIPF-MRXNPFEDSA-N 326.488 4.016 0 40 EIAB CCOc1ccc(NC(=O)N2CC(Cc3ccccc3Cl)C2)cc1 75104719 IKOPRCAGDQBAQM-UHFFFAOYSA-N 344.842 4.445 0 40 EIAB CCn1cc(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c2ccccc21 83843368 MUJGQCMOPAREEN-IIBYNOLFSA-N 348.446 4.263 0 40 EIAB CC[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1c(C)nn(C)c1C 86425600 FRSIQIJMDMNPPH-CJNGLKHVSA-N 344.459 4.016 0 40 EIAB Nc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Br 94187490 RHWRFVCIEZEHQH-UHFFFAOYSA-N 349.272 4.186 0 40 EIAB CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 95409996 IWMJYFIZEHOASA-NWDGAFQWSA-N 333.457 4.295 0 40 EIAB Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C2OCCO2)cc1 95967974 UUVHILTUIKMJJT-ZDUSSCGKSA-N 346.496 4.471 0 40 EIAB COC1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 96104494 IHRFURMXQBDRMP-UHFFFAOYSA-N 344.842 4.208 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3C[C@@H]2c2ccccc2)c(C)c1 103814499 CWSOSCYIFYAMMI-SOMHSPELSA-N 345.442 4.233 0 40 EIAB O=C(NCCSc1ccccc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103977197 MYWRXXIJLJGOMI-QAQJPARQSA-N 349.927 4.473 0 40 EIAB C[C@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 109035260 HZPRINBWEYSSMZ-ILXVDBEPSA-N 331.431 4.120 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCSC(C)(C)C)cc(C)c1Cl 113942448 GXABHVZZZRNIOM-ZDUSSCGKSA-N 343.920 4.372 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 219313332 QMEDMNZZTXADCS-PKOBYXMFSA-N 341.451 4.045 0 40 EIAB Cc1ccc(CC(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 222598657 OSHGDROUEVZXKK-UHFFFAOYSA-N 335.498 4.084 0 40 EIAB Cc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 222942245 KOXDROWIDFLGPO-UHFFFAOYSA-N 339.826 4.039 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCC2 223200741 PROHELNVDMCYHH-CYBMUJFWSA-N 349.883 4.009 0 40 EIAB COc1ccc(F)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C 223691428 NAOAGVLGMRZDLJ-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB COc1ccc(C(=O)NCCC(C)C)cc1COc1cccc(C)c1 224115515 GEUXTVUUWSSGLR-UHFFFAOYSA-N 341.451 4.359 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OC 224412438 ZZNVUVHQKMGYIB-UHFFFAOYSA-N 327.424 4.437 0 40 EIAB O=C(CSCc1cccc(Cl)c1)NCCSC1CCCC1 225029267 QGDMNGSOOHJHKJ-UHFFFAOYSA-N 343.945 4.365 0 40 EIAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccccc1C 225470383 MOFDLACIZIUDCS-SFHVURJKSA-N 347.480 4.050 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)c1 225533069 TZSMZCGCRKBTOM-SFHVURJKSA-N 337.463 4.229 0 40 EIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1C(F)(F)F 225598730 KVCYKIYVKFHDSD-GFCCVEGCSA-N 349.352 4.001 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)NCCC2=CCCCC2)cc1 225772815 CTTLRMATPFJSOP-UHFFFAOYSA-N 327.453 4.134 0 40 EIAB CCOC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OC(C)C 225787741 IJRYJDNWBVIIFZ-UHFFFAOYSA-N 333.428 4.169 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cc2cccc(C)c2oc1=O 226034667 OSHAADSYPGFOOS-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc(F)c3)oc12 226270699 JTHHGEUJQSVWRU-UHFFFAOYSA-N 338.260 4.443 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 226301510 ZCBGOBKRWZUCNX-TXEJJXNPSA-N 332.831 4.300 0 40 EIAB O=C(c1ccccc1)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 257230382 GCBRIKWLZZWQFO-HXUWFJFHSA-N 335.447 4.256 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1OC 69567 UQXJTBNZVHJCHP-WEVVVXLNSA-N 331.799 4.318 0 40 EIAB biogenic Cc1nc2c(-c3ccc(F)cc3)cnn2c(N)c1-c1ccc(F)cc1 1386226 PSDWHWJVINNOMO-UHFFFAOYSA-N 336.345 4.232 0 40 EIAB CC(=O)Oc1ccccc1C(=O)Oc1cc(C)ccc1C(C)(C)C 3348994 OFWVKYIQHDKNFV-UHFFFAOYSA-N 326.392 4.437 0 40 EIAB Cc1cc(C)c2nc(C(F)(F)F)nc(NCc3ccccn3)c2c1 4192088 RKBKKNCFMFMSPU-UHFFFAOYSA-N 332.329 4.273 0 40 EIAB Cc1cccnc1N(C(=O)c1cccs1)C(=O)c1cccs1 4600456 ITPLFIQEXPWRFY-UHFFFAOYSA-N 328.418 4.000 0 40 EIAB CCc1ccc(OCc2nnc(NC(=O)C3CCCCC3)s2)cc1 4695026 BTHKOZPHYMTZCJ-UHFFFAOYSA-N 345.468 4.198 0 40 EIAB Cc1cc2cc3c(N)c(C(=O)NC(C)(C)C)sc3nc2cc1C 4848770 BBIMWCCFABSYGQ-UHFFFAOYSA-N 327.453 4.177 0 40 EIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1Br 5557272 QMQVFQOSMBYLSZ-UHFFFAOYSA-N 334.257 4.148 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccc(Br)c1)c1ccccc1 5557662 LPBBRCRBYMJHMD-OCHBPSSRSA-N 330.225 4.340 0 40 EIAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)C(F)(F)F 7343500 ZHOXARVMIVPEIJ-UHFFFAOYSA-N 339.704 4.384 0 40 EIAB O=C([C@H]1CC=CCC1)N1CCC(c2nc3ccccc3s2)CC1 8037501 OKOOODLVOSHXCC-HNNXBMFYSA-N 326.465 4.359 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2C1 8185319 NVZIORKRSCNNNF-SECBINFHSA-N 338.835 4.242 0 40 EIAB CCOc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 9885195 XXMPRNDUVIWDLX-UHFFFAOYSA-N 341.798 4.028 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCCC2 9913528 XCHLUHNJCAMSLJ-UHFFFAOYSA-N 339.420 4.238 0 40 EIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc(F)cc(F)c1 10491411 NCDQBFKWCAZQJF-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(F)cc(F)c1 10668408 CYNSNUKSDJACDG-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB Cc1noc(-c2cnc(N3CCC[C@@H](C)C3)nc2-c2ccco2)c1C 12186782 HZBSZZWQHDJYTF-GFCCVEGCSA-N 338.411 4.245 0 40 EIAB O=C(NC(=S)Nc1ccccc1)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 12436553 CICPWWXJNUEUBB-LVFIWVQCSA-N 328.481 4.106 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2cccnc12 12795781 FMDNVJZOALACSA-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)nc2C)c(Cl)c1 13006211 ICXSFQREZZMDPK-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CN(CCOc1cccc(Cl)c1)C(=O)c1cc2cc(F)ccc2[nH]1 13012257 JBHQSMLEQJWLFT-UHFFFAOYSA-N 346.789 4.111 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2=O)cc1 14426965 ZRZYKDUJEXSZJZ-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CCN(CC)c1ccc(C[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 16678524 LMGPROAZELKXSM-HXUWFJFHSA-N 335.451 4.114 0 40 EIAB COc1ccc(C(=O)NCC23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 17968933 SSKGQYPTOKCOFG-BAUKFBFWSA-N 333.859 4.003 0 40 EIAB O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1nccs1 19927197 KTHGHDWBHVEAQD-LLVKDONJSA-N 331.249 4.229 0 40 EIAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 22762808 DJZFFTXJURCEHM-JQOLXWHASA-N 329.406 4.440 0 40 EIAB FC(F)(F)c1nc2ccccc2n1Cc1nnc(-c2ccccc2)o1 29299906 IJKPJMZSOMUMPG-UHFFFAOYSA-N 344.296 4.153 0 40 EIAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(Cl)c3)c2C)c1 29460399 WANJANAJNNAMJH-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nncn1C 29615069 IFLHHUXRRRZRES-CYBMUJFWSA-N 346.500 4.181 0 40 EIAB COc1ccc2nc(S[C@H](C)c3nc(-c4ccco4)no3)[nH]c2c1 29737589 WEXDRXMQVZISFI-SECBINFHSA-N 342.380 4.068 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 38772464 XJZUDDPLFHGFTC-CABCVRRESA-N 329.465 4.194 0 40 EIAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38833770 SVWALLMTQFUFIT-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB Clc1cccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)c1 40174595 QHBILQFWOCGIGO-UHFFFAOYSA-N 341.827 4.294 0 40 EIAB CCc1ccc2oc(C(=O)Nc3nnc(C4CC4)s3)c(C)c2c1 54644960 HPUXBKPBPOKLCD-UHFFFAOYSA-N 327.409 4.285 0 40 EIAB O=C(Nc1cccnc1)N1CCc2sccc2[C@@H]1c1cccs1 57768611 DHPXYHQLIPSFHW-MRXNPFEDSA-N 341.461 4.384 0 40 EIAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 65491122 IGLCUIUJSQUBEK-DZGCQCFKSA-N 339.391 4.109 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C)c3sc(C)nc3C)c2)cs1 69381931 QJOIJRFHQMCDCK-VIFPVBQESA-N 346.481 4.011 0 40 EIAB CCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCC2)cc1Cl 71116113 PZYKAMSVGDJMIL-UHFFFAOYSA-N 347.846 4.191 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CC[C@@H]2CCCC[C@H]2C1 71847954 RAEBRTNCRWLDCF-HOTGVXAUSA-N 326.440 4.189 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)NCCC1=CCCCC1 71858501 KCRLKZUQZXGLEJ-UHFFFAOYSA-N 343.515 4.218 0 40 EIAB COc1ccc(-c2csc(CNC(=O)c3cccc(C)c3)n2)cc1 72264941 FJVBKEUDNMONJO-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)c1nc(-c2ccccc2)oc1C 75143068 VTTOIMOBSKZHDM-KRWDZBQOSA-N 335.407 4.268 0 40 EIAB Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc2)cs1 76068868 WOMMHKYKCRDEEC-LBPRGKRZSA-N 347.484 4.037 0 40 EIAB O[C@@H]1CCCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 84392877 FVOKCGBYNZRHBD-HXUWFJFHSA-N 345.433 4.334 0 40 EIAB O=Cc1cccc(OCc2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 89262901 AEDMIFGWPVNCQF-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB C/C1=N\CCSCc2ccccc2CSCCNC(C)(C)C1 95101065 CTYXFIPCLTVCHO-XDJHFCHBSA-N 336.570 4.386 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 95389726 WMEDBOLNZAPMDO-HZPDHXFCSA-N 339.782 4.132 0 40 EIAB COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 95419359 XYKWCHDODVTSRF-LSDHHAIUSA-N 340.423 4.064 0 40 EIAB O=C1C[C@H](CN[C@@H]2CCSc3ccc(F)cc32)c2ccccc2N1 95423599 QATPZMCCAIZREM-MLGOLLRUSA-N 342.439 4.078 0 40 EIAB CN(C(=O)c1ccc2sccc2c1)c1cccnc1N1CCCC1 97015052 JGKZRZRFRGUELY-UHFFFAOYSA-N 337.448 4.173 0 40 EIAB Cc1nn(C)c(Oc2cccnc2)c1CNc1cnc2ccccc2c1 97115575 LKLDYSJHIJWVGK-UHFFFAOYSA-N 345.406 4.076 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(O)c2)cc1OC 98066579 UWLRKATYLQICBZ-UHFFFAOYSA-N 335.787 4.095 0 40 EIAB CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccco2)nc1C 101815997 DYPGUHMBPTZMCA-UHFFFAOYSA-N 340.354 4.440 0 40 EIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NCc1ccccc1OC(F)(F)F 102854059 QUGPLYFWGWULSF-YRGRVCCFSA-N 327.346 4.028 0 40 EIAB CCN(CC)c1c(C)c(-c2ccccc2)[nH][n+](=O)c1-c1ccccc1 103836340 FYZIHNGSYKMPII-UHFFFAOYSA-N 334.443 4.418 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COc1cccc2cccnc12 193820194 ZCWVZJFFSPDWLT-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB O=C(CCc1c(Cl)cccc1Cl)NCCCc1ccco1 225363756 YUKRHGSQHSJFDE-UHFFFAOYSA-N 326.223 4.268 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 225389334 BZVMYKOHSCXHPO-MRXNPFEDSA-N 341.904 4.289 0 40 EIAB CN(Cc1ccccc1NC[C@H]1CCC=CO1)C(=O)c1cccs1 225582462 QSLAJVDVXPVFFV-MRXNPFEDSA-N 342.464 4.125 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1Cl 225708326 CXOCXSOBHSFUAU-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(C)c2)no1 225813442 GTBUEISDAWYQAB-UHFFFAOYSA-N 349.434 4.487 0 40 EIAB CCN(Cc1ccccc1)C(=O)COc1cccc(C(F)(F)F)c1 225814734 XZOAKNYARZOYED-UHFFFAOYSA-N 337.341 4.133 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 408705711 LUIVWDRFIAFLSU-UHFFFAOYSA-N 325.742 4.416 0 40 EIAB O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cncs1 512394769 JYINZKKMSJRTHM-MGCOHNPYSA-N 327.236 4.126 0 40 EIAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(C2CCC2)CC1 585281718 QDEUCSOFAUGPPL-UHFFFAOYSA-N 344.282 4.406 0 40 EIAB COC(=O)CCc1ccccc1C(=O)N(C)C[C@H](C)C1CCCCC1 1615610686 MLGPIVYCLDONRW-INIZCTEOSA-N 345.483 4.081 0 40 EIAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1 63165 IXVQMMNRFBJQPI-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1CC)CCC2 130384 UFJCYANAZCZRPF-UHFFFAOYSA-N 342.464 4.400 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 479334 BZIWENTZTLBJII-LBPRGKRZSA-N 330.815 4.121 0 40 EIAB CCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21 529804 BZEFKMKJXDVVLV-UHFFFAOYSA-N 336.420 4.308 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 2622595 HQIMHIHJWLFOMP-NSHDSACASA-N 344.461 4.424 0 40 EIAB CCC(CC)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 2658175 UGTFKHZVIDIDAS-UHFFFAOYSA-N 333.863 4.120 0 40 EIAB Cc1cccc(C)c1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 2743679 ZQRRLCXNDAKONJ-UHFFFAOYSA-N 337.345 4.035 0 40 EIAB Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1Cl 3369425 BZHIKPWRENPDCE-RMKNXTFCSA-N 342.855 4.118 0 40 EIAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cccc2ccccc12 4325815 LMTCMRQJHVUEIO-UHFFFAOYSA-N 348.383 4.431 0 40 EIAB Fc1cccc(Oc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 4355256 POIWTASLUBZQKT-UHFFFAOYSA-N 340.745 4.400 0 40 EIAB COc1ccc(OC)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1 5701674 QOOBIUYVTBBUFX-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB O=C(Nc1cccc(Cl)c1)O[C@H]1CCN2Cc3ccccc3N=C12 6252714 JAHDVMFOICOGHL-INIZCTEOSA-N 341.798 4.207 0 40 EIAB Cc1ccccc1NC(=O)Cn1ccc2cc(Br)ccc21 6614658 FWEHFFSXBRFEAL-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccs1 6747859 WPTFRLMWVLOAEE-KRWDZBQOSA-N 341.411 4.233 0 40 EIAB Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2ccc(C)o2)c(Cl)c1 6947416 MOQGCOXGTNOZIJ-VOTSOKGWSA-N 347.798 4.053 0 40 EIAB Cc1sc(-n2cccc2)c(C(=O)Nc2nc3ccccc3[nH]2)c1C 7734913 IQVICIMDLVLLPG-UHFFFAOYSA-N 336.420 4.284 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 7756921 LTMHKMNQCLFTOP-UHFFFAOYSA-N 340.423 4.272 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 7912816 VOFMWJNALPFZFV-UHFFFAOYSA-N 325.408 4.284 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 8209432 NOOWNZBUJDPXGG-UHFFFAOYSA-N 340.423 4.295 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)c(F)c1 8279393 AUEKLLNGKZMPLZ-JTQLQIEISA-N 332.375 4.408 0 40 EIAB COc1cccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 8331640 MZFXTKOHKOBKON-UHFFFAOYSA-N 341.407 4.493 0 40 EIAB CN(C)CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 8373881 REGGAOJEQONVIJ-UHFFFAOYSA-N 327.255 4.295 0 40 EIAB CCCOc1ccccc1NC(=O)c1nc(Cl)ccc1Cl 8705481 RIBWUZWRHBCBSB-UHFFFAOYSA-N 325.195 4.430 0 40 EIAB O=C(O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 8729536 FHESYNCDSOLDNQ-ZZXKWVIFSA-N 327.561 4.460 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1OC 10554365 NOJFCSLEIPZSTR-UHFFFAOYSA-N 340.832 4.155 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)nc1 14304110 OYAXHTCESCTPTE-UHFFFAOYSA-N 334.375 4.200 0 40 EIAB CCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)O)cc2)cc1 19075690 UUDWUJCRVHUGIE-AWNIVKPZSA-N 340.375 4.183 0 40 EIAB COc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1 19565661 LKLCXKZIKBLJRJ-MRXNPFEDSA-N 330.478 4.287 0 40 EIAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)cc1 19910723 CQLHEJAEIMNCIB-UHFFFAOYSA-N 334.423 4.126 0 40 EIAB COc1ccccc1C(=O)c1cc2cc(Br)ccc2o1 20362305 FUGYJKNLPNODOQ-UHFFFAOYSA-N 331.165 4.435 0 40 EIAB CCC(CC)C(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 22329257 DQOSAYSHERTCHE-UHFFFAOYSA-N 328.456 4.319 0 40 EIAB CCCc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 27582509 PDNVJMCAEYTJNM-UHFFFAOYSA-N 342.424 4.015 0 40 EIAB CSc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 28051566 XSHXAXFMMQZLNH-UHFFFAOYSA-N 340.278 4.005 0 40 EIAB CCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 29046462 CZSZQARANBFDJQ-UHFFFAOYSA-N 343.807 4.069 0 40 EIAB CCCCn1nnc(NCc2ccc(-c3cccc(Cl)c3C)o2)n1 32617110 YIXKQJSQDMHETO-UHFFFAOYSA-N 345.834 4.307 0 40 EIAB CCCC(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 32623866 WHRNEPWITARIQL-UHFFFAOYSA-N 337.379 4.151 0 40 EIAB CSc1ccc(CN(C)C(=O)c2ccccc2OC(F)F)cc1 40159566 XYXAADMADMNXOR-UHFFFAOYSA-N 337.391 4.282 0 40 EIAB Cc1cc(Nc2ccc(O)cc2)n2nc(-c3ccccc3)c(C)c2n1 40216612 SISBOHQMVYQORD-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB Cc1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1C(F)(F)F 42649291 QKEALBWNTQNAFJ-UHFFFAOYSA-N 335.285 4.111 0 40 EIAB CCCc1cc(Br)ccc1OCC[C@H]1CCCCN1 42770291 SHIFCZZXVWGMKP-OAHLLOKOSA-N 326.278 4.313 0 40 EIAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2c2ccsc2)n1 44940792 RZBZXUBOOQNDML-AWEZNQCLSA-N 347.484 4.115 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2ccccc2SC)ccc1Cl 44945778 KDUPFGMXJTVAFI-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB CCOc1ccccc1CS[C@@H](C)C(=O)Nc1ccccc1OC 45090251 FINKWLUXJWFDJI-AWEZNQCLSA-N 345.464 4.354 0 40 EIAB CC(C)OCc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1 48354968 GNQSQKNCBOUQLG-UHFFFAOYSA-N 349.377 4.143 0 40 EIAB CCCn1ccc2cc(NC(=O)c3cnc4onc(C)c4c3)ccc21 58363166 YRNYCFDFDOUASV-UHFFFAOYSA-N 334.379 4.148 0 40 EIAB O=C(c1sccc1C1CC1)N1CC=C(c2c[nH]c3ncccc23)CC1 67142773 SJSATMQLLUSJAR-UHFFFAOYSA-N 349.459 4.431 0 40 EIAB COC(=O)c1ccccc1NC(=O)/C=C/c1cc2cc(C)ccc2o1 67339667 FMUZQTWDWIDCDN-CSKARUKUSA-N 335.359 4.180 0 40 EIAB CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)C2(C)C)no1 67890006 VQXFJKPZADBMCU-QAPCUYQASA-N 332.488 4.137 0 40 EIAB biogenic,in-vitro FC(F)(F)[C@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 70040566 ZOMGGUPVNKQMIS-AWEZNQCLSA-N 349.400 4.135 0 40 EIAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCC2)cn1)C1CCCC1 72215543 WADDMIBSSGUGMS-UHFFFAOYSA-N 329.444 4.349 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@@H]2CCCC[C@H]21 75108213 VIMWLXBDGDXBMK-QZTJIDSGSA-N 346.471 4.045 0 40 EIAB O[C@H](CNCc1ccccc1)c1cccc(OCc2ccccc2)c1 75772289 IMXPVDJTXSLWFX-JOCHJYFZSA-N 333.431 4.089 0 40 EIAB CC(C)n1c(C(=O)Nc2cccnc2)cc2c1c1ccccc1n2C 96037261 YOFUXEZUKQINIO-UHFFFAOYSA-N 332.407 4.361 0 40 EIAB O=C1Nc2cc(Cl)ccc2/C1=C\c1c(Cl)nc2sccn12 105638286 FEZMMTKTBYZWIW-RMKNXTFCSA-N 336.203 4.195 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223711838 QQJONLJRYVXXAI-UHFFFAOYSA-N 325.452 4.030 0 40 EIAB Cc1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)nc1 223971534 PQODAGFORYCDGT-UHFFFAOYSA-N 325.481 4.188 0 40 EIAB Cc1ccc(OCCCC(=O)NCCOc2ccccc2Cl)cc1 224143085 NAEHSUOHGXAEFU-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB CCCCc1ccc(C[C@@H](Oc2ccccc2OC)C(=O)O)cc1 225128706 ZNOLQIYOJJTALL-LJQANCHMSA-N 328.408 4.113 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1Cl 225168929 QRQFUBWLWGRKFH-UHFFFAOYSA-N 347.842 4.164 0 40 EIAB CCOc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225360441 IHXFQUUBOMHLOT-UHFFFAOYSA-N 341.407 4.135 0 40 EIAB CC(C)n1cccc1CNC(=O)c1ccc2sc(Cl)nc2c1 225984310 IGBDNVJBLOXHOG-UHFFFAOYSA-N 333.844 4.262 0 40 EIAB Cc1noc(C)c1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 333638891 BWQJCOUYKWXIIN-CYBMUJFWSA-N 325.368 4.034 0 40 EIAB C[C@H]1CCCC[C@H]1OCCNCc1cnn(-c2ccc(Cl)cc2)c1 513647344 GZCIKRCCTINKDC-HNAYVOBHSA-N 347.890 4.211 0 40 EIAB Cc1ccc(-c2cc(C(=O)N[C@](C)(Cc3ccccc3)C3CC3)n[nH]2)o1 1570390455 QRRVWYUAYDIAPN-OAQYLSRUSA-N 349.434 4.119 0 40 EIAB Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 46665 TYNDDYOITSAMBG-ZDUSSCGKSA-N 347.629 4.126 0 40 EIAB Cc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1 137140 ZGELFQFBUHCRHA-UHFFFAOYSA-N 337.386 4.339 0 40 EIAB aggregator CN(CCN(C)C(C)(C)C)C(=O)C(c1ccccc1)c1ccccc1 2275025 OUPLFPPBLRTXTE-UHFFFAOYSA-N 338.495 4.007 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1 2655316 UQBKRZVBFJWHGZ-BFUOFWGJSA-N 342.439 4.179 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 3329035 HHKVUCYTNIECOY-UHFFFAOYSA-N 347.480 4.492 0 40 EIAB Cc1ccc2oc(=O)cc(CSc3cnc4ccccc4n3)c2c1 3656805 FHYPXUAPIXOJDY-UHFFFAOYSA-N 334.400 4.337 0 40 EIAB Cc1nn(C)c(Cl)c1NC(=O)OCc1ccc(Cl)cc1Cl 4088928 HLYZKMCHUPJAEN-UHFFFAOYSA-N 348.617 4.437 0 40 EIAB CCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 4684087 RWQXCROPEVOBED-IAGOWNOFSA-N 326.477 4.397 0 40 EIAB Cc1cccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137519 NQPFYLYMWYCWQW-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB C[C@@H]1CCCCN1CCCCOc1ccccc1Br 6183146 MXCILNRXBYPLIP-CQSZACIVSA-N 326.278 4.483 0 40 EIAB COc1ccc2nc(SCc3cc(-c4ccco4)on3)[nH]c2c1 7240989 TWJPECLAMJRRRY-UHFFFAOYSA-N 327.365 4.112 0 40 EIAB Cc1nc2ccccc2n1CC(=O)O[C@@H](C)c1ccccc1Cl 7734829 XHEQYZKLMGSYGO-LBPRGKRZSA-N 328.799 4.303 0 40 EIAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1 8072127 IDPRDUKVXYLQQR-UHFFFAOYSA-N 325.452 4.458 0 40 EIAB CCc1cc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)cc1O 8569477 MAHVSWNEDMQEHX-UHFFFAOYSA-N 337.404 4.327 0 40 EIAB Cc1ccc(C)c(COc2cccc3ccc(N4CCOCC4)nc23)c1 8769646 XYUIEPNTSKUJGN-UHFFFAOYSA-N 348.446 4.267 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1 9063065 ZTMIYXYPYCVMCO-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB Cc1ccc2c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)coc2c1C 10812931 SNEDDMHUGVAQJW-UHFFFAOYSA-N 342.483 4.018 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 11170328 DTARVFPAUUZYFC-ZIAGYGMSSA-N 347.842 4.383 0 40 EIAB CCOC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 12442082 XUWKSUNDDVHXDB-UHFFFAOYSA-N 346.387 4.012 0 40 EIAB CC(C)(C)c1ccc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1 12592238 ZPEHESCSIAXVGM-IBGZPJMESA-N 342.464 4.013 0 40 EIAB Cc1ccc2nc(NC(=O)CSc3nc(C)cs3)sc2c1 16659624 HKODQQAQNXFUKI-UHFFFAOYSA-N 335.479 4.100 0 40 EIAB COc1cccc(NC(=O)c2cccnc2Nc2ccccc2OC)c1 22072099 UEVMQUCONOVEFU-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 22508512 SOUQHXOGRIHXFA-GOSISDBHSA-N 336.479 4.410 0 40 EIAB Cc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)c(Cl)c1 22559160 LWBBOMDQQUMFHZ-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB CCc1noc(CSc2nnc(Nc3cccc(C)c3C)s2)n1 24968305 OVRMKKSDKSLSMB-UHFFFAOYSA-N 347.469 4.136 0 40 EIAB CN(C)C1(CNC(=O)c2cc(Cl)sc2Cl)CCCCCC1 25443544 BDCVTBLWOPDOON-UHFFFAOYSA-N 349.327 4.439 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cccn2)o1 28229251 IQTURBFHCUZHJZ-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccn1 31903963 YCWQPHUCOMDZSB-UHFFFAOYSA-N 348.468 4.068 0 40 EIAB COc1ccc2[nH]c([C@H]3CCN(Cc4cccc(Cl)c4)C3)nc2c1 35446738 BUAMBZAEJUGOAF-AWEZNQCLSA-N 341.842 4.214 0 40 EIAB biogenic,in-vitro CSc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 35596696 HDXYSGXLEVTURC-UHFFFAOYSA-N 349.459 4.335 0 40 EIAB Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 36620705 FDRGZJZRAYVYOZ-LJQANCHMSA-N 329.465 4.138 0 40 EIAB CCCOc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1 40144275 FIDGVQHMGLGVDG-UHFFFAOYSA-N 340.448 4.357 0 40 EIAB CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(SC)cc2)cc1 42081785 CTDWIJAQCFFCBU-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB C[C@@H](Sc1nnc(C(C)(C)C)o1)c1nnc(-c2cccs2)o1 43240582 QXZIBYKIBWLEEY-MRVPVSSYSA-N 336.442 4.332 0 40 EIAB O=C1OCCN1CCc1nc(-c2cc(Cl)sc2Cl)cs1 45816885 QGIXSOHCXUSBJU-UHFFFAOYSA-N 349.264 4.173 0 40 EIAB COC(=O)c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 51354215 DPOMEUMKADDHIN-UHFFFAOYSA-N 338.285 4.136 0 40 EIAB CCN(CC)C(=S)SCc1nn(-c2ccccc2)c2c1CCC2 58157296 SSTBDLAMJVQUAA-UHFFFAOYSA-N 345.537 4.221 0 40 EIAB CSc1nc(C(=O)N[C@@H](C)c2cc(C)sc2C)c2ccccn12 60563841 BTECEOWYXYXOJJ-NSHDSACASA-N 345.493 4.226 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)oc1C 65089622 CPCGRPSMSRGAHB-UHFFFAOYSA-N 348.362 4.194 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(SC(C)(C)C)cc1 69601901 UEQXYSHVXPWRQA-CQSZACIVSA-N 336.501 4.468 0 40 EIAB O=[S@](Cc1ccc(F)cc1)Cc1csc(Cc2ccccc2)n1 69739009 ZJYYERPTBYHNEY-QHCPKHFHSA-N 345.464 4.322 0 40 EIAB Fc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72358576 FEWNBQXSSHAZST-SFHVURJKSA-N 348.425 4.057 0 40 EIAB Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1nnc(C2CC2)o1 78702115 UCGYQLSZZKIEQE-XMMPIXPASA-N 346.496 4.310 0 40 EIAB Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@@H](c1cscn1)N2 84229715 RTKBFPIASRXYRK-IBGZPJMESA-N 349.459 4.261 0 40 EIAB Cc1ccc2nc(C3CN(Cc4c(F)cccc4Cl)C3)[nH]c2c1 85467286 LVTXXIHZNKPKLQ-UHFFFAOYSA-N 329.806 4.263 0 40 EIAB COCc1ccc(SCc2nnc(Cc3ccccc3C)o2)cc1 89690457 UCQUOEIPIRWNKZ-UHFFFAOYSA-N 340.448 4.408 0 40 EIAB CCCc1ncc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)s1 89960534 XFWWWYGABFIIDH-UHFFFAOYSA-N 326.425 4.046 0 40 EIAB C[S@](=O)c1ccc(CN[C@@H](c2cc3ccccc3o2)C2CC2)cc1 95409644 VSGRGLCDHKQWKL-HYBUGGRVSA-N 339.460 4.411 0 40 EIAB O=C(/C=C/c1ccncc1)/N=c1\[nH]c2ccccc2n1C1CCCCC1 95423238 GSAVZPDGQLLIIW-ZHACJKMWSA-N 346.434 4.010 0 40 EIAB CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2csc(C)n2)c1C 96404548 WKUJAQYYHSKYGE-JOCHJYFZSA-N 335.494 4.028 0 40 EIAB Cc1ncsc1-c1nc(CSc2ccnc3ccccc23)no1 96471980 JXPIWEOTDVBKOU-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB C[C@H](C(=O)N[C@H](C)c1ccc(F)c(C(F)(F)F)c1)C1CCOCC1 96484919 IPNDSAQBGIQIQT-WDEREUQCSA-N 347.352 4.084 0 40 EIAB Cc1c(NC(=O)C[C@H]2CCc3ccccc32)cnn1-c1ccccc1 129401626 HEAAUHNVOJESPF-QGZVFWFLSA-N 331.419 4.239 0 40 EIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1 136490355 SXXMXLYOCWCRLF-UGSOOPFHSA-N 344.480 4.119 0 40 EIAB c1cc2c(o1)CCC[C@@H]2NCc1ccc(COC2CCOCC2)cc1 193042427 TUHZIHJWHCLSMF-FQEVSTJZSA-N 341.451 4.142 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)CCSCc1ccccc1 218998014 UBVQOEAEMQSGCQ-KRWDZBQOSA-N 343.492 4.202 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)[nH]c3C)N21 222671507 SGKNYOTXVMTUPJ-KBRIMQKVSA-N 326.469 4.006 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccccc1 222994370 GRRRHEZWKPJPTG-HXUWFJFHSA-N 325.452 4.210 0 40 EIAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(C(C)C)cc2)c(C)c1 223719632 SLCQALCQMXEGJB-UHFFFAOYSA-N 331.481 4.214 0 40 EIAB CC(C)Sc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 225308584 JOFYJNMNDIQZQX-UHFFFAOYSA-N 347.509 4.489 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ncccc1C 225680177 LVHRFSQXRMIDBH-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB COc1cccnc1NC(=S)NC1(c2ccc(C)cc2)CCCC1 225875251 CNJZASPVBMLZSX-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccs2)c2sccn12 257241056 HWKKBUVPDZTVHL-LBPRGKRZSA-N 331.466 4.133 0 40 EIAB CCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21 408713113 KRLAJRGFNQJYTL-UHFFFAOYSA-N 342.398 4.427 0 40 EIAB CC1C[C@@H]2CC[C@H](C1)N2Cc1csc(-c2ccc(C(=O)O)cc2)n1 514617677 WVXQDRJGRISLRB-MYFMFCSTSA-N 342.464 4.271 0 40 EIAB Cc1ccc(CCC(=O)NCc2cncc(-c3ccoc3)c2)cc1F 675008443 YXAFNDCJJUJEQE-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB CC(C)CSCCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 1618105914 AKVYILNWGMKAHJ-QGZVFWFLSA-N 327.921 4.493 0 40 EIAB Fc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 426360 IAKNIVLIZXTOCB-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB O=C(c1ccccc1Cl)N1CCN=C1SCc1ccccc1F 429433 WOVXVLUWMAFCBY-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1 498667 YAZZRSRSFPKDSY-UHFFFAOYSA-N 344.374 4.178 0 40 EIAB CCC[C@H]1C[C@@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O 518493 WSDGNMGDWQSZKD-SGTLLEGYSA-N 346.452 4.474 0 40 EIAB biogenic Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)c1cccs1 1352872 GDTQNTIKALNAKW-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1ccc(Cl)cc1 2041391 QPGXUASVOKGSDH-QGZVFWFLSA-N 336.774 4.454 0 40 EIAB COC(=O)[C@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 2042214 SNOIQCGJNNGWFH-FQEVSTJZSA-N 345.398 4.308 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)NCc1cccc(C(F)(F)F)c1 2663039 ZUGHEHWVYSALER-UHFFFAOYSA-N 346.352 4.436 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1Cl 2746522 OQUFNNWGLXKTBS-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CC(=O)Nc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1 3282139 XQSLPWFAUCDPQC-UHFFFAOYSA-N 337.297 4.021 0 40 EIAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc2ccccc12 3390892 ORZKOMAMQNUBSL-BUHFOSPRSA-N 331.371 4.035 0 40 EIAB Cc1noc2c1[C@@]1(C)CC[C@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 4025686 CWEKHXSSQMBRHH-UVJZNVBJSA-N 327.468 4.320 0 40 EIAB O=C(C1CCCCC1)N1CCN=C1SCc1ccc(Cl)cc1 4120052 WYJZYMKBZHZCGK-UHFFFAOYSA-N 336.888 4.352 0 40 EIAB Fc1ccc(NCc2nnc(SCc3ccccc3F)o2)cc1 4161540 URQMUZKHXHWNBE-UHFFFAOYSA-N 333.363 4.252 0 40 EIAB Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(-c3ccccc3)c2c1 4942355 MPNKLIBDSNULSX-HOTGVXAUSA-N 333.435 4.219 0 40 EIAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c1 5342970 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O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1cccs1 13695060 XMMHCXKYQQUDNY-UHFFFAOYSA-N 340.448 4.080 0 40 EIAB O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1 14361892 AWAKKUNJEDRERU-INIZCTEOSA-N 330.225 4.426 0 40 EIAB CCCCN(C(=S)Nc1ccccc1)c1ccc(C(=O)O)cc1 16638777 AQCJZCGOZWPTPJ-UHFFFAOYSA-N 328.437 4.388 0 40 EIAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1C 18195084 XKANBNSXKYARAL-UHFFFAOYSA-N 337.448 4.236 0 40 EIAB CC(C)c1ncc2c(n1)C1(CCN(CC3CCCCC3)CC1)OCC2 19454239 ZIPAVRXARIFRMS-UHFFFAOYSA-N 343.515 4.044 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)N1CCc2sccc2C1 22381185 BVRAYOUFOIZDJB-UHFFFAOYSA-N 340.370 4.035 0 40 EIAB COc1cc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1OC 22435396 UEHKFLNMAGPWFZ-OLZOCXBDSA-N 349.789 4.239 0 40 EIAB COc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222512 VTMURGWGJZTGJW-NRFANRHFSA-N 347.462 4.107 0 40 EIAB CC(C)(C)c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)no1 45810718 FZAQRWZOTGSNKY-ZDUSSCGKSA-N 342.468 4.314 0 40 EIAB O=C(NC1CCCCCCC1)c1cnn(-c2ccc(Cl)cc2)c1 45941254 ZJZHSHRZOGLCFI-UHFFFAOYSA-N 331.847 4.368 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 46722305 MVWMPRLNZBHMPC-MSOLQXFVSA-N 349.365 4.150 0 40 EIAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 56540380 CCTBKWHXLRQBIF-GOSISDBHSA-N 326.371 4.397 0 40 EIAB Cc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)s1 58265427 VIITZKDILGXCTM-UHFFFAOYSA-N 349.402 4.070 0 40 EIAB Cc1nc(CN(C)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cs1 62652518 MKEHTNDNKFLVBR-CYBMUJFWSA-N 347.484 4.141 0 40 EIAB CCOc1ccc2c(c1)CN(c1ncnc3sc(CC)cc13)CC2 63992386 RIKUMSUMTCHGOU-UHFFFAOYSA-N 339.464 4.215 0 40 EIAB Cc1ccc2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)[nH]c2c1 65492147 JMUXZJHDMUWLEU-NRFANRHFSA-N 341.414 4.391 0 40 EIAB COc1ccc(-c2cnc(C[S@@](=O)Cc3cccc(C)c3)o2)cc1 69737830 VHKCSRZDGMJIQF-XMMPIXPASA-N 341.432 4.108 0 40 EIAB Cc1nc(C2(NCc3csc(C(C)C)n3)CCCCCC2)no1 71792443 YDWVSXGZAYTXBQ-UHFFFAOYSA-N 334.489 4.297 0 40 EIAB O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)C1CCCC1 71909690 OPJMFONEBCYLHX-QHCPKHFHSA-N 333.497 4.397 0 40 EIAB Cc1cccc(CSCC(=O)N2CCCC[C@H]2c2cccn2C)c1 76093562 CPDJALLKTWOZED-IBGZPJMESA-N 342.508 4.321 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 78457908 ZONOGRIIVYWGFU-CQSZACIVSA-N 331.843 4.467 0 40 EIAB CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1C 79183163 MHTGZLONLKAUDQ-HZPDHXFCSA-N 340.398 4.143 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 79320669 HUKIDKDCCLNDOL-PXAZEXFGSA-N 345.874 4.158 0 40 EIAB Cc1ccc2ncc(CN[C@H]3CCCOc4cc(Cl)ccc43)n2c1 95989231 DHMUFGJUTCXJKS-KRWDZBQOSA-N 341.842 4.300 0 40 EIAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccncc1 96117345 COJDJTOIOGKYRU-HNNXBMFYSA-N 325.799 4.024 0 40 EIAB CCc1nc(-c2noc3ccc(C(=O)Nc4cccnc4C)cc23)co1 96266522 CHLLBQBGXBINKQ-UHFFFAOYSA-N 348.362 4.001 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 96659329 BJGKFEXNTCKRDM-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB CO[C@@H](C)c1nc(CSCc2cn3c(C)cccc3n2)cs1 97083838 SUHATEZAPMAEFF-LBPRGKRZSA-N 333.482 4.240 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CCCC1=C1CCC[C@@H]12 100548606 GYXYSDLSMHXYGV-XSLAGTTESA-N 341.838 4.356 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(CN2CCCCCC2)cs1 105656338 OIGCTOSBOKFXJZ-HRCADAONSA-N 347.528 4.284 0 40 EIAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@@H]1c1ccccn1 106168015 IXRMHCSRIDKMBI-LZLYRXPVSA-N 326.827 4.202 0 40 EIAB COc1cccc(Cc2csc(Nc3ccccc3OC)n2)c1 211138597 SGTQXILZSCSERQ-UHFFFAOYSA-N 326.421 4.495 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3ccc(F)cc3Cl)cc2)o1 216894291 VKZGEXGWTRHBIU-FPYGCLRLSA-N 345.761 4.194 0 40 EIAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222621908 BUONUFUSWZBZFJ-XKQJLSEDSA-N 326.469 4.053 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc(Cl)cc1F 224074569 JSFGDFYZHRDAEC-SFHVURJKSA-N 347.817 4.224 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](C)c1ccccc1 224440996 FOISYPVDJNOAJP-PBHICJAKSA-N 331.843 4.417 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COCC(C)C 224446268 DYYOHZWZSITBME-INIZCTEOSA-N 341.451 4.359 0 40 EIAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225186292 OTAYXWPUFHQAHX-OAHLLOKOSA-N 339.435 4.118 0 40 EIAB CC[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(OC)c(OC)c1 225719083 BIZHPNKYDHQQGS-OAHLLOKOSA-N 348.443 4.281 0 40 EIAB O=C(/C=C/c1cccs1)NCc1ccnc(-c2ccsc2)c1 225754493 YMFVSTHQTSEDBB-ONEGZZNKSA-N 326.446 4.201 0 40 EIAB O=C(Nc1ccc(Cl)cc1)SC1=NN=C2CCCCCN2C1 226822553 RLJDHYHTBGGTGK-UHFFFAOYSA-N 336.848 4.207 0 40 EIAB CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257216658 CVOHXOTYQITSSZ-BLVIHDEWSA-N 345.483 4.189 0 40 EIAB Cc1noc(C)c1-c1ccc(CNC(=O)c2c(F)cccc2Cl)o1 1888906601 FVJAJYHXYLTZFD-UHFFFAOYSA-N 348.761 4.274 0 40 EIAB O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(Cl)c2)CC1 2037909125 XFBCMUPVNUVYMH-FQEVSTJZSA-N 345.870 4.136 0 40 EIAB CN(Cc1ccccc1)c1nc(-c2ccco2)cc(C(F)(F)F)n1 213246 XUSBMOALNRAJLL-UHFFFAOYSA-N 333.313 4.392 0 40 EIAB Cc1ccc(S(=O)(=O)[C@]2(Cc3ccccc3)C=CCCC2)cc1 478258 VOYAVHJILAWLGD-HXUWFJFHSA-N 326.461 4.490 0 40 EIAB COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCCC2 2697840 QJKVBYKATKCJEL-CMDGGOBGSA-N 347.461 4.127 0 40 EIAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1 2698866 CTGITJZTXSCAPP-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB CC(C)c1ccc(N2C(=O)CC(c3nc4ccccc4s3)=C2N)cc1 3227180 XXTJRSADNZHFAE-UHFFFAOYSA-N 349.459 4.484 0 40 EIAB O=C(c1c(Cl)cccc1Cl)n1oc(=O)cc1-c1ccccc1 4042521 PUEXUWNDXYQEBJ-UHFFFAOYSA-N 334.158 4.104 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 4081424 UITNBJRZYAEYLY-ANWZHMNCSA-N 344.495 4.386 0 40 EIAB biogenic O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccn1 4676956 HCZLEFWWURSPCG-UHFFFAOYSA-N 345.402 4.165 0 40 EIAB COc1ccccc1CNc1ncc(-c2cccc(Cl)c2)n1C 4678250 ORWKAORBFOHYKR-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 5576867 GYQFKZYCWSMGAE-HNNXBMFYSA-N 347.846 4.114 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2ccccc2s1 6113166 YSVIUFJHAVVXMB-UHFFFAOYSA-N 335.384 4.422 0 40 EIAB CCCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OCC 6323425 PYAXSQQBTSOUIR-VBKFSLOCSA-N 349.452 4.320 0 40 EIAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(F)c1 7127806 KMQFEURICLCSFE-UHFFFAOYSA-N 331.730 4.491 0 40 EIAB COc1ccc2c(CC(=O)Nc3cccc4ncccc34)coc2c1 7757857 HFNQPSNKFFSTIP-UHFFFAOYSA-N 332.359 4.171 0 40 EIAB CCOCCCNCc1cccc(OCc2ccccc2Cl)c1 8253197 CJFPYAOMFWKLPS-UHFFFAOYSA-N 333.859 4.435 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 8493577 XGWZRDGEUOSWRG-LLVKDONJSA-N 339.313 4.120 0 40 EIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)c(F)c1 8704187 YSFSOSUVXVXYQR-UHFFFAOYSA-N 348.296 4.109 0 40 EIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccsc3)nn12 12322450 TVVQZJXRLKDHKA-UHFFFAOYSA-N 348.840 4.243 0 40 EIAB c1ccc([C@@H]2OC(c3ccco3)=Nc3cc4c(cc32)OCCO4)cc1 12854788 HDCFLCDERXUKSG-IBGZPJMESA-N 333.343 4.249 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12890311 FYYJEXIBDYXMNN-GOSISDBHSA-N 345.826 4.238 0 40 EIAB CN(Cc1ccsc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 12971647 IBRUMDBZNBVLAG-CQSZACIVSA-N 336.457 4.266 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C[C@@H](O)c2ccccc2)cc1 12995968 CNUZOMJKZZDSHE-LEWJYISDSA-N 325.452 4.346 0 40 EIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccccc3)nc12 14257657 VUGYIKXORXJGAZ-UHFFFAOYSA-N 341.461 4.040 0 40 EIAB COC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 14788116 HKIZJXLOCQGFSX-UHFFFAOYSA-N 337.375 4.017 0 40 EIAB C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(-n2ccnc2)cc1 18048018 RUWNAFXJLBDIMQ-CQSZACIVSA-N 331.375 4.110 0 40 EIAB O=C(CC1CCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19405470 JZWCJYLPRZLTCR-GOSISDBHSA-N 338.455 4.106 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1 20029789 QFXDBSGYGKIBDS-AWEZNQCLSA-N 337.872 4.305 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 20044583 LTUWMJMEICSBTL-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 20452291 YIYHJYQPFHKWFK-FQEVSTJZSA-N 337.444 4.063 0 40 EIAB CCCC(=O)Nc1cc(-c2nc3ncccc3o2)cc(Cl)c1OC 20611374 KCPGKHLCUQMDIQ-UHFFFAOYSA-N 345.786 4.290 0 40 EIAB C[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2Cl)no1 20888844 RDCKNFCWQHHHDW-JTQLQIEISA-N 345.761 4.020 0 40 EIAB O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2ccc(F)cc2)o1 25768283 NWZYSUGHHGMRLP-UHFFFAOYSA-N 328.368 4.283 0 40 EIAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)n1C 33232487 DPLQJWABVHHCDL-OAHLLOKOSA-N 339.464 4.311 0 40 EIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 37868429 INUWBBWLQIDWRJ-HXUWFJFHSA-N 329.403 4.157 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38849548 PTCDCJVWLFQDQH-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB Cc1ccccc1CC(=O)N(C)Cc1cc(Br)cs1 48069597 DJPILKLDFKAQMQ-UHFFFAOYSA-N 338.270 4.020 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)o1 58391337 YZVBERHWTYXGFI-ZYUDAIQPSA-N 333.391 4.241 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)c1cccc(Cl)c1 63808586 AYGZATQBRXHZTR-UHFFFAOYSA-N 349.862 4.064 0 40 EIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1 64572794 CROKPYYJQPWFQG-CYBMUJFWSA-N 335.494 4.010 0 40 EIAB CN(C)c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 65696707 PPJFZNAFQKUIIU-SFHVURJKSA-N 342.870 4.253 0 40 EIAB CC[C@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC 66065961 RNCWKUCWPBNWOH-YNJIXTKQSA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro Cc1cccc(NC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1 69460715 MZPWVJJAXPBTKB-UYAOXDASSA-N 335.451 4.143 0 40 EIAB CCc1nc(CCNC(=O)c2cc(Cl)sc2Cl)cs1 69485662 FEHCLZOLVDTZQZ-UHFFFAOYSA-N 335.281 4.046 0 40 EIAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](C(F)(F)F)CC(O)=N2 71279235 AUELAXXBQIEMIG-SNVBAGLBSA-N 331.338 4.099 0 40 EIAB C[C@H](NC(=O)c1cc(C2CC2)on1)c1cc(Cl)ccc1Cl 72274693 VWVROVOYDDJQFN-QMMMGPOBSA-N 325.195 4.350 0 40 EIAB Cn1ccc2c(NC(=O)Cn3ccc4c(Cl)cccc43)cccc21 72324882 HEIHJEXAXFZUFF-UHFFFAOYSA-N 337.810 4.425 0 40 EIAB biogenic CCc1ccc(C(=O)N2CCOc3nc4c(C)cccc4cc3C2)cc1 72334526 WNNINEUNILZNLQ-UHFFFAOYSA-N 346.430 4.140 0 40 EIAB Fc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1 72358611 UMFGJIORRXRAQL-MRXNPFEDSA-N 348.425 4.057 0 40 EIAB Cc1c(C(=O)N2CC=C(c3cccs3)CC2)oc2c1C(=O)CCC2 89568160 MAPBJZDUKISPGQ-UHFFFAOYSA-N 341.432 4.098 0 40 EIAB Cc1ccc2ccccc2c1NC(=O)CCn1c(C)c(C)sc1=O 95417365 BZTNVSBYYMWCSA-UHFFFAOYSA-N 340.448 4.017 0 40 EIAB CO[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccsc1 96097403 DUZPWEUQZVZAJV-ZDUSSCGKSA-N 330.236 4.172 0 40 EIAB COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 96417984 PXUXXBXXCNVGEV-CQSZACIVSA-N 344.386 4.118 0 40 EIAB Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cccnc1 107162733 VOTASDDYWYIKTC-UHFFFAOYSA-N 334.423 4.126 0 40 EIAB CC[C@H]1CCc2nc(NC(=O)c3cc(C(C)=O)cs3)sc2C1 170945164 TWOSSCRVRCLLGT-JTQLQIEISA-N 334.466 4.174 0 40 EIAB CN(CCc1ccccn1)C(=O)c1ccc(C(F)(F)F)cc1Cl 179876850 ITLUSCGSYVJYFC-UHFFFAOYSA-N 342.748 4.069 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)cc1 223439625 BCNZUJZLHJSHBX-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1cccc(C)c1 224106738 XEYWQRGRDNDIPQ-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1ccc(Cl)c(C)c1 224201114 KYATYHNLNJMTLD-UHFFFAOYSA-N 347.842 4.374 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc(OC(C)C)c2)cc1C 224544302 AGQWQTPPTXRZOK-UHFFFAOYSA-N 327.424 4.362 0 40 EIAB CCCNC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 225427310 OHXCNBYFQNQZCM-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB COc1ccc(CCNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225657039 STNQQFRHWMIMDB-UHFFFAOYSA-N 341.451 4.108 0 40 EIAB CCOCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1 225720884 XQLONBVIARHTHA-UHFFFAOYSA-N 349.471 4.026 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1C 225756943 PFOWYWJKRUOHPN-OAHLLOKOSA-N 328.437 4.161 0 40 EIAB CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)c(N)c1 226347545 UBLKNXVYGJFYQK-UHFFFAOYSA-N 336.391 4.082 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 252484138 FPPIBIWFLOCAII-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257320283 VWAWUIMBKFEDKZ-MRXNPFEDSA-N 330.403 4.114 0 40 EIAB COc1cc(F)c([C@@H](C)NCc2cccc3c2NCCC3)cc1OC 585136580 LSZIAHSUXHIEFE-CYBMUJFWSA-N 344.430 4.052 0 40 EIAB CCOC(=O)c1cnc(C(F)(F)F)nc1Nc1ccccc1Cl 123865 PFSOBHXODUPUPQ-UHFFFAOYSA-N 345.708 4.069 0 40 EIAB CCN(CC)C[C@@H](O)c1cc2cc(Br)ccc2s1 338776 RQLHMDGRXVRMOL-GFCCVEGCSA-N 328.275 4.039 0 40 EIAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1CCCO1 483936 LYLIYECAEZMBJK-GFCCVEGCSA-N 343.235 4.234 0 40 EIAB Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(C(C)C)C1=O 981452 YZGVCOHPTFOVJU-LFIBNONCSA-N 326.421 4.230 0 40 EIAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1377484 ZXAVIVIOAORLJP-IRXDYDNUSA-N 333.863 4.009 0 40 EIAB Cc1ccc(C)c(SCC(=O)Nc2nnc(-c3ccccc3)o2)c1 2618370 RQWIKAIWLUIHOM-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CC(C)CCC[C@H](C)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C 2781640 WLBOIEROULCXTD-VIFPVBQESA-N 339.789 4.037 0 40 EIAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)c1cccc(Cl)c1 3504365 XKQCWDJIBINVIE-GFCCVEGCSA-N 343.839 4.284 0 40 EIAB Cc1cc(C)c2nc(NS(=O)(=O)/C=C/c3ccccc3)sc2c1 4529284 WAXVBIVKIMADOH-CMDGGOBGSA-N 344.461 4.326 0 40 EIAB Fc1ccccc1[C@@H]1C=C(C23CC4CC(CC(C4)C2)C3)NC(=S)N1 4670990 UPKAHAZHIKRGTE-UTNBAMHJSA-N 342.483 4.445 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 4738614 XYUKOWNZXPLBHY-UHFFFAOYSA-N 338.451 4.249 0 40 EIAB CCCCNc1ncc2c(n1)C[C@@H](c1cccc(Cl)c1)CC2=O 4741298 GGFKOASEAHZNAI-CYBMUJFWSA-N 329.831 4.255 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1Cl 4910008 BRDXIVWZFHHGTD-KRWDZBQOSA-N 341.798 4.278 0 40 EIAB O=c1[nH]c(CSc2ccccc2F)nc2sc3c(c12)CCCC3 5174287 QMXYZRZKENQEQO-UHFFFAOYSA-N 346.452 4.295 0 40 EIAB Cc1cccc(CC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c1 5441799 CUBSCEPSCBKYFL-UHFFFAOYSA-N 336.435 4.002 0 40 EIAB COc1cccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)c1 5627172 OSIVISAABJUPOU-ZDUSSCGKSA-N 338.432 4.363 0 40 EIAB CSc1cccc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 5688949 LJYIEARUANYFLL-GFCCVEGCSA-N 328.437 4.050 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1OC(F)F 6508199 UTQYOHKODAWZKP-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc(Br)cn3)cc2c1C 6672073 PHWBUFBVYNHLAV-UHFFFAOYSA-N 344.212 4.195 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NC1CC1)c1ccccc1 7003116 KWUWPAGMIMJHSU-MRXNPFEDSA-N 334.341 4.137 0 40 EIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1cccc(Cl)c1 7757053 IFUVVAXSGOMDPR-UHFFFAOYSA-N 332.806 4.082 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCSc2ccccc21 7777490 NWMPKDAGFAMCPG-AWEZNQCLSA-N 333.840 4.316 0 40 EIAB Nn1c(SCCCc2ccccc2)nnc1-c1ccccc1Cl 7990397 PYAAXWMVDVTEGP-UHFFFAOYSA-N 344.871 4.037 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1ccc(NC(=O)c2ccco2)cc1 8076566 KBXLXQPOWDSSHP-UHFFFAOYSA-N 342.301 4.062 0 40 EIAB COCc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 8076771 VDNCGITYXRUEPL-UHFFFAOYSA-N 334.213 4.156 0 40 EIAB O=C(O)c1ccc(-c2ccc(Br)cc2Br)o1 8728942 YVSRVWHCEQINNZ-UHFFFAOYSA-N 345.974 4.170 0 40 EIAB CC(C)c1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 9426677 LOGIQOHHQDOYML-UHFFFAOYSA-N 341.889 4.187 0 40 EIAB O=C(NCCc1ccc(Cl)cc1Cl)Nc1ccccc1F 10223344 XBBOVSVHFMYBDC-UHFFFAOYSA-N 327.186 4.497 0 40 EIAB COC(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10336406 TVUXAXUYJAQOEO-UHFFFAOYSA-N 339.435 4.342 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cnccn1 11512540 MJUFLGAEFOPOCC-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB Cn1/c(=N\C(=O)c2cccc(Cl)c2)sc2cccc(Cl)c21 12180814 SZFICXRJAXKZJS-OBGWFSINSA-N 337.231 4.288 0 40 EIAB Cc1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 12978631 GYDDJHJKDJHAAT-IBGZPJMESA-N 340.423 4.285 0 40 EIAB O=C(CC1(C(=O)O)CCCC1)Nc1cc(C(F)(F)F)ccc1Cl 13255883 ZEPOSZBVVLRDHG-UHFFFAOYSA-N 349.736 4.332 0 40 EIAB Cc1cccc(CNC(=O)CSCc2c(F)cccc2Cl)c1 13632338 AVTJQWKXMRMSLL-UHFFFAOYSA-N 337.847 4.337 0 40 EIAB O=C1OC(c2ccccc2F)=N/C1=C\c1c(Cl)cccc1Cl 13928059 ZCANNUOICXUDOE-ZSOIEALJSA-N 336.149 4.477 0 40 EIAB O=C(NCCC1=CCCCC1)c1ccc(F)cc1Br 14941556 HVSHJDAAZQUSPG-UHFFFAOYSA-N 326.209 4.209 0 40 EIAB O=C1C[C@@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 15110003 WYDDATYYOZKJBO-AWEZNQCLSA-N 339.395 4.500 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1OC 16030693 QYBSEPAJIMCFAY-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB COc1cccc(CN2CCCCC[C@H]2c2c(Cl)cnn2C)c1 19288583 JVHKTQPODJOONS-KRWDZBQOSA-N 333.863 4.199 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 20025543 ZAGKMMOOEDCYPX-LBPRGKRZSA-N 348.240 4.257 0 40 EIAB Cc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1N 20030722 QSGQSTPTUGNKFL-UHFFFAOYSA-N 333.229 4.209 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCCC2)cc1 20460786 DZGWJEZDIOITQD-OAQYLSRUSA-N 334.463 4.090 0 40 EIAB COc1cc(CN[C@H](C)c2ccccc2Cl)cc(OC)c1OC 22781133 MPACXDOWWOTFBM-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB C/C=C/c1cc(C(=O)N(C)Cc2ccc(C)cc2)cc(OC)c1OC 23175277 QHSKSOGVMGNPHC-VOTSOKGWSA-N 339.435 4.318 0 40 EIAB CN(C)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCCC1 25443404 ALEDKMSRXSYOPL-UHFFFAOYSA-N 343.298 4.378 0 40 EIAB Cc1nc2ccccc2nc1NCc1ccc(C(=O)N(C)C(C)C)cc1 25567450 WPYVDLJMXYCYEQ-UHFFFAOYSA-N 348.450 4.031 0 40 EIAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cccc2ccccc12 29657322 DNYBOHAIZNMZDM-CQSZACIVSA-N 335.451 4.000 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)c[nH]1 29794934 QAOZAVCPZVTAND-UHFFFAOYSA-N 342.811 4.297 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C)cc1OC 30753232 UJHJHTIPTIMFTO-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(Cl)cc1Cl 31053432 AHBRANBSNUJZOH-UHFFFAOYSA-N 347.249 4.151 0 40 EIAB CC(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 32754926 ZRZUUTBQHWZHKC-UHFFFAOYSA-N 327.808 4.403 0 40 EIAB CCOc1ccccc1CS[C@H](C)C(=O)Nc1ccccc1F 32907797 JXOZJXDRRYCPCM-CYBMUJFWSA-N 333.428 4.485 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2cccc(F)c2F)C1 36359221 NRSBFTYTDIWQAZ-LLVKDONJSA-N 343.308 4.413 0 40 EIAB CNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618452 BSPNMKCVBLGFPQ-UHFFFAOYSA-N 347.349 4.056 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36621134 NXDUCVLRJMAJCY-GOSISDBHSA-N 349.883 4.428 0 40 EIAB NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 38540402 LSNOXFPGBSGJIK-UHFFFAOYSA-N 339.442 4.182 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccsc1 40138985 XGEDHRDVIQFTIB-HZPDHXFCSA-N 328.437 4.118 0 40 EIAB COc1ccccc1NCc1n[nH]c(=S)n1-c1cccc(C)c1C 40163746 CZMVZSHEFNKTEJ-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB COc1ccc(Nc2nc(Nc3ccc(C)cc3)c3cn[nH]c3n2)cc1 40227596 NCYYJAKMLIKERZ-UHFFFAOYSA-N 346.394 4.157 0 40 EIAB Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@@H]1C2 43735990 CWEKHXSSQMBRHH-IJQKITLXSA-N 327.468 4.320 0 40 EIAB biogenic COC(=O)Nc1cccc(NC(=O)N2CCc3sccc3[C@H]2C)c1 47711644 MELOKDQHGZWIMB-LLVKDONJSA-N 345.424 4.078 0 40 EIAB O=C(Nc1cccc(N2CCCC2)c1)N[C@H]1CCCc2ccccc21 65475505 ZNGAWYSDZRQTGO-FQEVSTJZSA-N 335.451 4.486 0 40 EIAB CCCc1c(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)[nH]c(C)c1C(C)=O 65815185 BBAGXYIVCSUFLY-RYTJFDOTSA-N 342.483 4.129 0 40 EIAB CC(C)(C)c1ncc(C(=O)N(CC(F)(F)F)c2ccccn2)s1 69569964 JQPKSVQTBNPQEW-UHFFFAOYSA-N 343.374 4.045 0 40 EIAB Clc1cc(Cl)cc(-c2nc3cc(-n4cnnc4)ccc3o2)c1 70461367 ZOINJJIVUHWTHV-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CC[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 71186279 QCFAAOIKUAOOKA-OCCSQVGLSA-N 347.846 4.142 0 40 EIAB CCc1ccc(-c2n[nH]c(SCc3ncc(C(C)C)o3)n2)cc1 71904407 ACNCROXZRCBRCP-UHFFFAOYSA-N 328.441 4.438 0 40 EIAB CCc1cc(N)cc2nc(Cc3ccc(Br)cc3)oc12 73642639 VOFKNLCVGMKQNY-UHFFFAOYSA-N 331.213 4.326 0 40 EIAB CCc1ccc([C@@H]2C[C@H](C)CCN2c2cc(C)nc(COC)n2)o1 75055712 LRVLVWLKPCWRKN-CJNGLKHVSA-N 329.444 4.064 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(CN2CCCC2)cc1 84661327 FYPHJVJLNYYTKL-OAHLLOKOSA-N 328.481 4.177 0 40 EIAB O=C(c1cc(-c2ccncc2)on1)N1CCC(=Cc2ccccc2)CC1 89828167 ICNJSALGUNFYFV-UHFFFAOYSA-N 345.402 4.056 0 40 EIAB CCn1nc(C)c(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1C 96489628 SDNGPPJGHXBTAY-INIZCTEOSA-N 338.455 4.041 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 219067282 NIXMWGDGBKCJSK-GOSISDBHSA-N 325.452 4.128 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 222734402 YQVVDCNGQNPMGS-GJZGRUSLSA-N 341.426 4.349 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 222760942 AFTHXBILPAQJSG-UHFFFAOYSA-N 345.398 4.244 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)Cc1ccccc1 223130202 UTDHDTZGYOWKCL-SFHVURJKSA-N 329.415 4.121 0 40 EIAB Cc1ccccc1CS(=O)(=O)Nc1ccc2c3c(cccc13)CC2 224167829 DXULUZWGHZZURG-UHFFFAOYSA-N 337.444 4.189 0 40 EIAB S=C(Nc1nccc(-c2cccs2)n1)NC1CCCCCC1 225184525 FZBATFAMSXTVJL-UHFFFAOYSA-N 332.498 4.214 0 40 EIAB Cc1cccc(CCCNC(=O)Cc2cccc(Br)c2)c1 225616767 RUVBHQULDJHYQL-UHFFFAOYSA-N 346.268 4.049 0 40 EIAB CC(C)c1nn(C)cc1NC(=O)N[C@H]1CC(C)(C)c2ccccc21 280723048 JVPAQUFFJJLSAN-HNNXBMFYSA-N 326.444 4.088 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 390834358 WZDRSCBOGNJAMG-LLVKDONJSA-N 333.819 4.077 0 40 EIAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccccc1Cl 408805719 CHBNFHMRVSFZBB-UHFFFAOYSA-N 333.795 4.242 0 40 EIAB CCc1oc2ccccc2c1CC(=O)N(Cc1cccnc1)C(C)C 528056762 BFZCGWJPZSENRW-UHFFFAOYSA-N 336.435 4.370 0 40 EIAB COCc1cccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c1 626263558 BQWDARPHTUOJLN-UHFFFAOYSA-N 346.377 4.312 0 40 EIAB CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 1126868154 AFFOYJFRPFGCBX-QFIPXVFZSA-N 348.490 4.301 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)cc1F 1617093934 MCTLKDOIGIWVFU-UHFFFAOYSA-N 346.365 4.325 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 42801 LDXWVWBTIBPGSJ-OCCSQVGLSA-N 341.238 4.175 0 40 EIAB CCc1ccc(Oc2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1 86764 SDGRFMCMUNHDSO-UHFFFAOYSA-N 338.359 4.381 0 40 EIAB Cc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 249395 PRNLZIMKGNPMMW-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CC(C)Cc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 322907 LGUUJDDVGABBEQ-UHFFFAOYSA-N 330.240 4.296 0 40 EIAB CSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@H](C)CC4 413193 YVRAYUQORPIMFR-MRVPVSSYSA-N 330.482 4.063 0 40 EIAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2)cc1 528202 VYXMYKLGALMOPK-OALUTQOASA-N 334.423 4.132 0 40 EIAB Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)Cc1cccs1 802342 QZXFWWVWOVBBBJ-UHFFFAOYSA-N 340.404 4.083 0 40 EIAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc2c(c1)CCC2 1340865 JWHCHIPWKCWOPG-UHFFFAOYSA-N 335.451 4.376 0 40 EIAB CCN(CC)CCC[C@H](C)Nc1c(C)cnc2cc(OC)ccc12 1729634 KCQTYUFADUWGIA-INIZCTEOSA-N 329.488 4.474 0 40 EIAB CCCOc1ccc([C@H](O)[C@@H](c2ccccc2)N2CCCC2)cc1 2250656 ZQANJCYEINMFHT-RTWAWAEBSA-N 325.452 4.346 0 40 EIAB O=C1N(c2ccccc2)c2ccc3ccccc3c2[C@@]1(O)C(F)(F)F 3163917 KDKRGFAUAWGRBG-SFHVURJKSA-N 343.304 4.268 0 40 EIAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 3255489 VCKRVSOGLPCGHM-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB CCOc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 4784121 WNGDXUZQQJYJBQ-UHFFFAOYSA-N 338.432 4.385 0 40 EIAB CNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C)c1C 5144965 GPFGOFADBHYVQF-UHFFFAOYSA-N 344.480 4.274 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 5592871 GSMROYZTLGUXRR-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB C[C@H](CN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 6176175 WVZSEUPGUDIELE-VGSWGCGISA-N 339.479 4.016 0 40 EIAB biogenic O=C(COc1ccccc1-c1ccccc1)NCc1ccc(F)cc1 6305927 OXQLUKAKHAQSFN-UHFFFAOYSA-N 335.378 4.188 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1ccc(Br)o1 6612227 FDSMIUCMRGUGBN-UHFFFAOYSA-N 338.182 4.009 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Br)cc1 7645569 JUJDOLOQJCNRDV-VIFPVBQESA-N 340.167 4.218 0 40 EIAB CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)-c1ccccc1C2 7980478 ZIMVNHCJKJAQDI-UHFFFAOYSA-N 349.459 4.405 0 40 EIAB O=c1[nH]nc(Cc2ccc(-c3ccc(Cl)cc3)o2)c2ccccc12 8670330 QJDSYRXWISKBJN-UHFFFAOYSA-N 336.778 4.427 0 40 EIAB Cc1cccnc1NC(=O)c1cc(Br)ccc1Cl 8747112 REJBLDOXXFDZNJ-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 11239199 LAZQPDHHWRUAGK-QGZVFWFLSA-N 333.790 4.186 0 40 EIAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C 12542548 GCNHCBKSDYYEKE-ZDUSSCGKSA-N 334.366 4.344 0 40 EIAB CC(=O)c1csc(NC(=O)c2csc(-c3ccc(C)cc3)n2)n1 12894273 XSONQOUNQORVLI-UHFFFAOYSA-N 343.433 4.030 0 40 EIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 13022907 OKFQGAIDEPFEHM-LBPRGKRZSA-N 330.453 4.163 0 40 EIAB CC(C)c1ccc(N2C[C@@H](c3nc(-c4ccccc4)no3)CC2=O)cc1 13036976 FIHSEIUBUSXSCL-KRWDZBQOSA-N 347.418 4.381 0 40 EIAB Cc1cc(C)c2nc3c(cc2c1)CN(CCOc1ccccc1)CCO3 13563743 PGZIBRZGPKURPA-UHFFFAOYSA-N 348.446 4.125 0 40 EIAB O=C(Nc1nc2c(s1)CCC2)c1ccc(C2SCCS2)cc1 15636722 VBEUMEYSHNKGMR-UHFFFAOYSA-N 348.518 4.363 0 40 EIAB CC(=O)OC[C@@]12CO[C@H](CCc3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 16027978 FVFIDPRIGRPKRH-YHXSNJQLSA-N 342.479 4.416 0 40 EIAB biogenic O=C(Nc1ccc(N2CCCC2)nc1)c1cc2c(F)cccc2s1 22326578 OPBUUUQXGLFMBD-UHFFFAOYSA-N 341.411 4.288 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)c1 22500242 TUFZZWLWUZWNIT-KBPBESRZSA-N 345.464 4.062 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1 22558479 QHNOUEJQLYZTIN-UHFFFAOYSA-N 347.340 4.256 0 40 EIAB CC(C)c1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 22760169 IOGMAAJSOOVBBL-UHFFFAOYSA-N 349.418 4.209 0 40 EIAB O=C(Nc1ccccc1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 22996469 WWLGWPUWHLUPJY-UHFFFAOYSA-N 334.219 4.372 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1cnc2ccccc2c1 23353150 BHUOZXPJTAYZMA-UHFFFAOYSA-N 328.371 4.406 0 40 EIAB O=C(NCc1ccccc1CN1CCCC1)c1cccc2ccccc12 24189799 CXXCSXWPGBPNGN-UHFFFAOYSA-N 344.458 4.366 0 40 EIAB Cc1cc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)no1 25251324 NULMFCMIZVVTBB-SFHVURJKSA-N 333.391 4.163 0 40 EIAB O=C(C[C@@H]1C=CCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 25910455 JKPZOIDHCSJDSS-CABCVRRESA-N 342.464 4.165 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 27384263 PVSUMHTVMONAKG-KRWDZBQOSA-N 329.440 4.092 0 40 EIAB CCSc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 29704451 FBCDZHOLPBFWCN-CYBMUJFWSA-N 345.464 4.307 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccncc3)ccc2c1 32716696 KUYVWYJVUJPJDN-HUUCEWRRSA-N 334.419 4.224 0 40 EIAB Cc1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2F)n1 36357105 RWPKTLLMHRQYOL-UHFFFAOYSA-N 349.365 4.377 0 40 EIAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3Cl)C2=O)c(C)c1 36635771 LNXSGKSWDQLVHG-HNNXBMFYSA-N 342.826 4.009 0 40 EIAB COc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)ccc1C 40049082 MEGRKXYVMCJSTA-SFHVURJKSA-N 326.440 4.100 0 40 EIAB CCOc1ccc2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c1 41091995 QLBRMHOVAXIVSZ-IFXJQAMLSA-N 347.480 4.096 0 40 EIAB Brc1ccc(O[C@@H]2CCCNC2)c(-c2ccccc2)c1 42774888 HGLJJCMVUQGTFT-OAHLLOKOSA-N 332.241 4.247 0 40 EIAB Cn1cccc1CN(Cc1cccs1)C(=O)/C=C/c1cccs1 49521739 HMRWBQITUNJHQA-CMDGGOBGSA-N 342.489 4.390 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1cccc(OCC(C)C)c1)SCC(O)=N2 49545483 PMIPEYBANAXELX-QGZVFWFLSA-N 345.468 4.188 0 40 EIAB O=C(Nc1cccc2cnccc12)c1ccn(-c2cccc(Cl)c2)n1 57396431 CAOFBGGLFYSQMS-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB Cc1ccc(-c2nnc(NC(=S)Nc3ccccc3)s2)cc1 59505210 MRRGVBLTINETKV-UHFFFAOYSA-N 326.450 4.322 0 40 EIAB CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(CO)CC2)c(C)c1 69564026 RIHRKDOWBFHFKH-CQSZACIVSA-N 336.501 4.122 0 40 EIAB Cc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2cccnc2)Cc2ccco2)c1 69652841 HNZXMRABPJUPER-LEWJYISDSA-N 346.430 4.316 0 40 EIAB O=C(c1sccc1-c1ccccc1)N1CCC[C@H](n2ccnc2)C1 69899555 FGEIFDYJOLIFPM-INIZCTEOSA-N 337.448 4.089 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cccc(Cl)c2)C1 72403175 TYZSPIVKWBXACX-CQSZACIVSA-N 327.771 4.301 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccncc1Cl 73012036 CDLMTZYBWIGAAO-GOSISDBHSA-N 340.785 4.394 0 40 EIAB CC(=O)Nc1cccc([C@H](C)OC(=O)c2nccc3ccccc23)c1 73091324 RWKOUFJHGRDCPT-ZDUSSCGKSA-N 334.375 4.111 0 40 EIAB c1ccc(Cn2ccnc2SCc2nc3ccccc3s2)nc1 79037917 LLIUGTFBQOVVEU-UHFFFAOYSA-N 338.461 4.228 0 40 EIAB CCn1nc(C)c(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1C 89480646 NXCQJPATFOIOOV-LLVKDONJSA-N 349.504 4.157 0 40 EIAB O=C(CCC(F)(F)F)N1CCC(Oc2ccccc2Cl)CC1 89814438 OZESHBUDMQSFLX-UHFFFAOYSA-N 335.753 4.052 0 40 EIAB O=C(COC/C=C/c1ccccc1)Nc1ccc2nc(C3CC3)oc2c1 95966927 PTAHLEIHSJULEF-QPJJXVBHSA-N 348.402 4.374 0 40 EIAB O[C@H](C1CCN([C@H]2CCCCc3ccccc32)CC1)C(F)(F)F 95968376 JCCCIRUULSLXLX-DLBZAZTESA-N 327.390 4.089 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@]1(C)CO2 96306228 SYRZSOPNMJQENZ-PZJWPPBQSA-N 332.403 4.104 0 40 EIAB CCSc1cc(Cl)ccc1C(=O)O[C@H](C)c1nnc(C)o1 96503103 XBYYPSGMXBZKPX-MRVPVSSYSA-N 326.805 4.061 0 40 EIAB Clc1ccc(-c2cnc(CN3CCC(c4cn[nH]c4)CC3)o2)cc1 97203066 RPNQFLMDUKDIBM-UHFFFAOYSA-N 342.830 4.098 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 101115064 KQYUGGMMKPPZTR-YKCBXCCJSA-N 329.399 4.098 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 102067632 SQBCHPAUYMODSD-SLUIBLPYSA-N 345.398 4.099 0 40 EIAB CC(C)Sc1ccccc1NC(=O)N1CCC(N2CC=CC2)CC1 102317018 VJWRBCYLFVAEGP-UHFFFAOYSA-N 345.512 4.055 0 40 EIAB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(-n2cccc2)ccc1Cl 170609911 NFXSKTFPTFBFTD-ZNMIVQPWSA-N 326.827 4.073 0 40 EIAB COc1ccccc1/C=C/C(=O)NCCOc1ccccc1C(C)C 223745631 REUZDTZLORSGPL-OUKQBFOZSA-N 339.435 4.027 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225707294 NKMLPCOETPGHRU-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB CCN(C(=O)c1ccnc(C)c1)[C@@H](c1ccc(F)cc1)c1ccccn1 225720930 ZXXCEERZVFZFTM-FQEVSTJZSA-N 349.409 4.176 0 40 EIAB COc1ccc(C2(NC(=S)Nc3ccc(C)cn3)CCCC2)cc1 225872509 QSTONFLQBUMHRL-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(F)cc3)nc2c1 226270288 SMLZYTJBKGQBAO-UHFFFAOYSA-N 338.260 4.159 0 40 EIAB CCOc1ccc(Br)c2sc(C(=O)O)c(Cl)c12 228939989 AGCCXNFKKKXKHC-UHFFFAOYSA-N 335.606 4.414 0 40 EIAB O=C(CCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCC(=O)N2 252501882 UKFZPUMUKPCZFW-UHFFFAOYSA-N 342.826 4.186 0 40 EIAB Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)c2cn(C)nc2C)cc1 266731603 BJBGXKNCVIYYGA-HNAYVOBHSA-N 340.471 4.035 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 408706487 ZTNXDFAZBGIHPU-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccccc1 409207371 SVISMJMIXJKEDR-ZZEZOPTASA-N 342.851 4.457 0 40 EIAB Cc1noc(C)c1NC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 585140647 ADWBGDQILHMMTO-UHFFFAOYSA-N 331.391 4.062 0 40 EIAB CCOC(=O)c1nc2c(Br)cccc2c(Cl)c1Cl 685936910 FHHNHTILLKYICF-UHFFFAOYSA-N 349.011 4.481 0 40 EIAB CCO[C@@H](c1noc([C@@H](C)Cc2ccc(C)cc2)n1)C1CCOCC1 1615571594 MRRLAQSFXAOENT-MAUKXSAKSA-N 344.455 4.228 0 40 EIAB COc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc1 176298 NGWVBAGWVPNKDA-NVNXTCNLSA-N 348.185 4.347 0 40 EIAB O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCCCC1 263922 QGOULTPSFBFXFI-UHFFFAOYSA-N 342.675 4.212 0 40 EIAB Cc1cccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc12 1277350 YLGKBNMZXWAUIA-UHFFFAOYSA-N 348.406 4.394 0 40 EIAB O=C(Nc1ccccc1)C(=Cc1ccccc1)C(=O)Nc1ccccc1 1689020 BKJBJHPKSZVLFR-UHFFFAOYSA-N 342.398 4.347 0 40 EIAB CCOP(=O)(Nc1cccc2c1-c1ccccc1C2=O)OCC 1692036 ALVICJTXIWWGDN-UHFFFAOYSA-N 331.308 4.491 0 40 EIAB O=C(c1cccc(Br)c1)c1cccc(CN2CC=CC2)c1 2515391 LPPXCFGDERAWJW-UHFFFAOYSA-N 342.236 4.052 0 40 EIAB Cc1sc2ncnc(N3C[C@H](C)O[C@@H](C)C3)c2c1-c1ccccc1 2887012 UNAJOSIFFBYPHL-STQMWFEESA-N 339.464 4.280 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 3407049 SWDCHBBBSDSGJL-UHFFFAOYSA-N 331.240 4.001 0 40 EIAB COc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 3433332 GOETULXXCIWVOL-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB O=C1C[C@@H](c2ccc3ccccc3c2)c2c(c3ccccc3oc2=O)O1 4721313 KWLRARSVXXWDPX-KRWDZBQOSA-N 342.350 4.387 0 40 EIAB Cc1ccccc1-n1nnnc1C1(Nc2ccccc2)CCCCC1 4871441 HBKMUJMTOMGDEY-UHFFFAOYSA-N 333.439 4.242 0 40 EIAB Fc1ccc(-c2ccc(CNCCCSc3ncccn3)o2)cc1 4984188 HQMIAUBNXULLAN-UHFFFAOYSA-N 343.427 4.148 0 40 EIAB CC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5013370 PAJXDWUIJQNEKO-UHFFFAOYSA-N 345.807 4.363 0 40 EIAB Cc1cccc2[nH]c(SCC(=O)N(CC(C)C)CC(C)C)nc12 7425280 RMLQAYOOYOGOQP-UHFFFAOYSA-N 333.501 4.104 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1Cl 8050661 RWXXBIYPZQEYQX-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 8288442 SLLXRLCCYRIYCM-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 8377351 VXCXCHWUQYTEBO-UHFFFAOYSA-N 340.648 4.401 0 40 EIAB NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 9861729 JLVCFVJZEJNRPZ-UHFFFAOYSA-N 340.386 4.139 0 40 EIAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F 12798295 QWONURNYVFMSMX-SNVBAGLBSA-N 327.277 4.215 0 40 EIAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12998558 JUIPISQKHSQKED-CQSZACIVSA-N 340.423 4.455 0 40 EIAB O=c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c[nH]1 13125348 VHPGFKIUIOOABO-UHFFFAOYSA-N 335.794 4.093 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1 14154987 LSECNHFWMPJIIN-CQSZACIVSA-N 344.414 4.390 0 40 EIAB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 15019150 PBSLVPUATYUUDN-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cccc(F)c1F 16616002 BJTMRPAMYRBXNK-UHFFFAOYSA-N 341.144 4.030 0 40 EIAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(N)c1C 19736751 SKFVGSIPDTWVLB-ZFWWWQNUSA-N 326.440 4.497 0 40 EIAB C[C@@H](NCc1ccc(-c2ccccc2F)o1)[C@@H](O)c1ccccc1 20312668 LLHIIAUCPXOGKE-JLTOFOAXSA-N 325.383 4.297 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C 20485669 JRYZVXQUMUBASU-MRXNPFEDSA-N 338.451 4.013 0 40 EIAB CC(=O)NCCCCCc1nc2ccccc2n1[C@H](C)c1ccccc1 20868246 MLQHJELMOAIZDA-QGZVFWFLSA-N 349.478 4.495 0 40 EIAB COc1cc(C(=O)Nc2cccc3cnccc23)ccc1OC(F)F 21217090 PPQVERASYBYUHG-UHFFFAOYSA-N 344.317 4.097 0 40 EIAB CCC[C@H](C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 24348526 CTYCVTCPTXYFKF-SCLBCKFNSA-N 348.537 4.062 0 40 EIAB COc1ccc(C(=O)c2ccccc2-c2ccc3c(c2)OCO3)cc1 26897445 UQOJZGJTMHBAAG-UHFFFAOYSA-N 332.355 4.322 0 40 EIAB Clc1ccccc1Cn1c(CN2CCCC2)nc2ccccc21 27757696 SJZBMWMMBUKNPZ-UHFFFAOYSA-N 325.843 4.334 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 28226707 ZJKQDKSPTPPOOD-UHFFFAOYSA-N 333.435 4.481 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1C 30847263 OXVLJTZLDXILAP-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 30873981 CSEVGGQHNVLMRR-OAHLLOKOSA-N 327.424 4.444 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)cc1 32932446 YLZCDXCVJXVUSM-UHFFFAOYSA-N 337.379 4.168 0 40 EIAB C[C@@]12Cc3cn[nH]c3C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 33655290 OIIHTRLQCQVVQC-LANMLWSUSA-N 326.484 4.343 0 40 EIAB CCOc1ccc(-c2noc(CNc3ccc(F)c(F)c3F)n2)cc1 40071584 QUDNYEQLGGULSO-UHFFFAOYSA-N 349.312 4.165 0 40 EIAB CCOc1ccccc1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 40087140 BKOOWIZZWXCCEC-UHFFFAOYSA-N 339.420 4.186 0 40 EIAB COc1ccc(NCc2n[nH]c(=S)n2-c2cccc(C)c2C)cc1 40163740 LAQHLRIVGNOHPP-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB CSc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1C 41897937 VTVSCXXBOPYODQ-UHFFFAOYSA-N 341.411 4.294 0 40 EIAB CC(C)(C)c1nnc(SCC(=O)Nc2cccc3ccccc23)o1 42569124 NLYMJGKQTDURNK-UHFFFAOYSA-N 341.436 4.251 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)NC[C@@H](C)c3ccccc3)ccc12 57866488 OLMZNNVPMWKTPO-CQSZACIVSA-N 336.391 4.027 0 40 EIAB Cc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 59477985 UFWBZRBDTXPYEC-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB CCOC(=O)c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)nc1 65946594 VDGQYSRMJRHJNO-UHFFFAOYSA-N 349.434 4.124 0 40 EIAB c1ccc(Nc2nnc(Sc3cnc4ccccc4n3)s2)cc1 71794483 ALOTXLCFKZZIJK-UHFFFAOYSA-N 337.433 4.376 0 40 EIAB O=c1c2ccccc2ncn1Cc1cccc(OCc2ccccc2)c1 72047601 KAUYEBYGSCRHBQ-UHFFFAOYSA-N 342.398 4.024 0 40 EIAB CCC(CC)c1cc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)on1 72295264 AJAYLTYBGCEIQU-GFCCVEGCSA-N 346.427 4.086 0 40 EIAB O=C(OC1CCCCCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 84374398 DZRFQXMFOVGXLA-GOSISDBHSA-N 345.439 4.074 0 40 EIAB CC1(C)CCC(Nc2cc(Cl)ccc2CS(C)(=O)=O)CC1 92169836 IYZDQUAGVNPWSA-UHFFFAOYSA-N 329.893 4.265 0 40 EIAB CC(C)[C@@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccccn1 95409950 CNNOFLIMJQRISO-KBXCAEBGSA-N 327.428 4.307 0 40 EIAB COc1ccc(Cl)cc1C(=O)c1cccc(Br)c1 95916316 RXKKNNULZYOEEW-UHFFFAOYSA-N 325.589 4.342 0 40 EIAB O=S(=O)(Nc1ccc(Cl)nc1)c1ccccc1-c1ccccc1 95948150 KUQHIKCLHAMVLT-UHFFFAOYSA-N 344.823 4.203 0 40 EIAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 96446745 OVGURIZOSNHUCM-ZOCIIQOWSA-N 332.403 4.323 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc(CN2CCCCCC2)cs1 105656335 OIGCTOSBOKFXJZ-JYJNAYRXSA-N 347.528 4.284 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(OC)c1 113951630 WWELHCTWZROKQX-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB C[C@H](NC(=O)CCc1cncn1C)c1ccc(Cl)c2ccccc12 193827652 GOCVYONBIZXYLQ-ZDUSSCGKSA-N 341.842 4.037 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 216374943 JZGNHBJAUKRENM-GOSISDBHSA-N 349.386 4.334 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(F)c2)cc1C(C)C 223386531 WRCHTWJHHMTEEE-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB Cc1cc(OCC(=O)NC(C)(C)Cc2ccccc2)cc(C)c1Cl 225185299 JAJXKWHSPMENKJ-UHFFFAOYSA-N 345.870 4.473 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)cc1C 225599044 KLMVUHZFEJEQKW-QGZVFWFLSA-N 335.444 4.181 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C)n1 225861607 DGRCZMBDTSKBJW-UHFFFAOYSA-N 342.414 4.378 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(C)ccc1C 408701477 YNNHXZMEPWJUTG-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2C)CC1 408707805 QXVWDBBBOGCFDG-UHFFFAOYSA-N 348.462 4.184 0 40 EIAB CCCN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 409243373 VXWQTDODROAGJI-BJMVGYQFSA-N 332.208 4.145 0 40 EIAB Cc1ncccc1CNC(=O)Nc1c(Cl)ccc2c1OC(C)(C)C2 529094746 GWMSLAINPMBFHG-UHFFFAOYSA-N 345.830 4.079 0 40 EIAB CC(C)c1nnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1 567435657 TUGUJSFPXJWXOJ-UHFFFAOYSA-N 346.431 4.326 0 40 EIAB CSCc1cccnc1C(=O)N1[C@@H](C)[C@@H](CC(F)(F)F)C[C@H]1C 602421366 KTEMUISDVGZOHI-NTZNESFSSA-N 346.418 4.136 0 40 EIAB O=C(c1ccnc(-c2ccco2)c1)N1CCCCC[C@@H]1c1ccncc1 1119701713 WGCADEOFKIKZOP-LJQANCHMSA-N 347.418 4.494 0 40 EIAB CC(C)c1nccn1CC1CN(Cc2ccc(Cl)c(Cl)c2)C1 2087139488 BCSJBKRYZNAMFN-UHFFFAOYSA-N 338.282 4.445 0 40 EIAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1 374196 NQPCBDAKEZWNCW-UHFFFAOYSA-N 343.736 4.071 0 40 EIAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc3ccccc23)N1 408723 VZLUBLQTLIFDKP-UXHICEINSA-N 342.398 4.009 0 40 EIAB biogenic Fc1ccc(-c2nc3ccc(Cl)cn3c2NC[C@H]2CCCO2)cc1 412143 PCYCSBYJLJGEJY-OAHLLOKOSA-N 345.805 4.385 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nccn2-c2ccccc2)c1 427343 VXGJKJHPTCTEBZ-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(C)C)cc1 525996 IHKLLBPTDNVQNQ-GOSISDBHSA-N 327.380 4.108 0 40 EIAB biogenic CC[C@H](C)OC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12 542163 MXHWYMCDLGFBJF-RYUDHWBXSA-N 340.427 4.093 0 40 EIAB O=Cc1cc(Cc2ccc(Cl)cc2)cc(Br)c1O 570148 PWYQVEORVYNFER-UHFFFAOYSA-N 325.589 4.211 0 40 EIAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 573329 AEZYMIFWLPPKTN-UHFFFAOYSA-N 342.398 4.370 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1 2651255 JZCWGMDQSMRURV-UHFFFAOYSA-N 326.827 4.460 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1C[C@@H]1C 3237946 QCIJAURBVFWLQS-AAEUAGOBSA-N 329.421 4.186 0 40 EIAB Cc1ccccc1CN(C)[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 3355117 ISVHPCPXQSCKQP-LAUBAEHRSA-N 336.479 4.009 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2)c1 3453996 AWVKWARDRDNNQL-UHFFFAOYSA-N 347.370 4.247 0 40 EIAB O=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 4593209 DSIGERPHEMPZEN-UHFFFAOYSA-N 331.371 4.201 0 40 EIAB O=C(/C=C/c1ccc(Br)cc1)n1cnc2ccccc21 5387749 MNNNLHMIPAKPKI-JXMROGBWSA-N 327.181 4.152 0 40 EIAB CC(C)c1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 5482049 FKZCMTLECRMOBN-OAHLLOKOSA-N 344.842 4.253 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c(O)c1 5542546 YWZKVCPNVHJOFH-UHFFFAOYSA-N 328.371 4.067 0 40 EIAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1F 6471934 KBNARCPOBZOLTJ-UHFFFAOYSA-N 335.806 4.263 0 40 EIAB CSc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1 6806384 VWRQGJYDBGNKMR-UHFFFAOYSA-N 329.450 4.216 0 40 EIAB CCc1nnc(S/C(=C\c2cccc3ccccc23)C(=O)O)o1 7508239 WVLTWWBCLHRKOB-UVTDQMKNSA-N 326.377 4.003 0 40 EIAB COc1cc(Cl)c(C)cc1N[C@H](C(=O)NC1CC1)c1ccccc1 7546263 GZLHPEAYNBXFGA-SFHVURJKSA-N 344.842 4.089 0 40 EIAB COCCNc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C)s1 7737293 UOSUCSVDASBISK-UHFFFAOYSA-N 347.484 4.161 0 40 EIAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(F)cc2)C(=S)N1 8023647 KMAMYELVICOFMI-VQIMIIECSA-N 342.439 4.323 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC2)cc1C 8231344 YJHVOJHBSKLFBV-UHFFFAOYSA-N 331.419 4.002 0 40 EIAB C[C@@H](Cc1nnc(NC(=O)C2CCCCC2)s1)c1ccccc1 9095460 SIKOZLXRXVHHPV-ZDUSSCGKSA-N 329.469 4.403 0 40 EIAB C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C1 10134994 XBNSTAMIWBWVRE-YWZLYKJASA-N 349.430 4.013 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10260355 UZVWVDUWNCSVEE-ZDUSSCGKSA-N 338.386 4.114 0 40 EIAB Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 11009330 IBAICLWDBQVLTA-UHFFFAOYSA-N 335.363 4.484 0 40 EIAB Cc1cc(O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1Cl 11239255 WGGGKEYIHMSDPC-KRWDZBQOSA-N 333.790 4.186 0 40 EIAB COc1cc(C(=O)O)cc(Cl)c1OCc1cccc(Cl)c1 11826710 SCKFNOVJHFJTJW-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB O=C(C1C[C@@H]2CC[C@H](C1)C21SCCS1)N1CCc2ccccc21 12971835 JGFMQMDGZQOARL-MQVJKMGUSA-N 345.533 4.188 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)O)cc2C)c1 13391189 UTKZOVGEUZEYPJ-UHFFFAOYSA-N 341.407 4.143 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494874 HPEUXMGAOLYJCH-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB OCCCCCNCc1ccc(OCc2ccccc2Cl)cc1 13726845 BDSBMPNGFQINGY-UHFFFAOYSA-N 333.859 4.171 0 40 EIAB Cc1nc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cs1 16504514 WQIVTTJEOHELSG-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB O=C(c1ccsc1)N1CCC(c2nc3ccccc3s2)CC1 17960240 BNGUSXQKZKZYIO-UHFFFAOYSA-N 328.462 4.378 0 40 EIAB O=C1CCCN1c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 18167938 WCPSGCVRMWAYRA-UHFFFAOYSA-N 345.855 4.276 0 40 EIAB COP(=O)(OC)[C@H](/C=C(\Cl)c1ccc(Cl)cc1)N(C)C 19593824 DHZCWIZTPPQFDC-KIWPFMIBSA-N 338.171 4.293 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 20108913 YUHBGZULRPRRBY-IBGZPJMESA-N 327.424 4.498 0 40 EIAB COc1ccc(CNC(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1 27351643 OGEJZQYWLCLTQS-UHFFFAOYSA-N 339.395 4.282 0 40 EIAB Cc1c(O)ccc2c(CN(C)[C@@H](C)c3cccs3)cc(=O)oc12 27554850 GFDIADMBAODXEO-LBPRGKRZSA-N 329.421 4.062 0 40 EIAB CC(C)Cn1nccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 27970418 DGJSLERPLWBVBS-UHFFFAOYSA-N 336.439 4.152 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 29024684 AVFGPADAKHTCAE-HNNXBMFYSA-N 325.408 4.414 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(C)=O)c1 30865840 FZNWHNZEPYGAGE-GOSISDBHSA-N 325.408 4.302 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc3c(s1)CCC3)O[C@@H](C)C2 32756244 PEOXLVMVRMQJNN-NSHDSACASA-N 343.448 4.211 0 40 EIAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 32914216 QESPPESNOULDFD-SUMWQHHRSA-N 345.402 4.082 0 40 EIAB C=C=Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 35167686 KNPICQJZTCIDQE-KRWDZBQOSA-N 343.430 4.429 0 40 EIAB CSc1ccc(CN(C)Cc2noc(-c3cccc(C)c3)n2)cc1 40088715 SHQZYRNEEOVBAY-UHFFFAOYSA-N 339.464 4.399 0 40 EIAB CCc1cccc(CC)c1NC(=O)N(C)CCOc1ccccc1 40098977 VSXGYNLXARLXOR-UHFFFAOYSA-N 326.440 4.354 0 40 EIAB O=C(NCc1ccc2ccccc2c1)C1(c2ccccc2)CCOCC1 41813844 DSMKOINVLWNWFM-UHFFFAOYSA-N 345.442 4.204 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 44884898 ZCOQRSXHWXOAPQ-ZDUSSCGKSA-N 348.240 4.014 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1Cl 57340213 FMGMLHFLISBRMD-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB CN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2)s1 58356474 FNCHAMHOVJOLQS-ACCUITESSA-N 334.444 4.482 0 40 EIAB Cc1noc(C)c1COC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3 58721023 CCZNLJFEZTXDQO-LLVKDONJSA-N 338.407 4.255 0 40 EIAB O=c1[nH]c2ccc(SCc3ncc(-c4cccs4)o3)cc2o1 71890057 YLTJXFKDVBWNCX-UHFFFAOYSA-N 330.390 4.130 0 40 EIAB Fc1cccc(CN2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1F 72369838 YOEJPHCJYCTMLQ-HNNXBMFYSA-N 341.361 4.004 0 40 EIAB Cc1cc(C)n2nc(S[C@H](C)CCSc3ccccc3)nc2n1 79109722 XCALGOWIUNNCET-CQSZACIVSA-N 344.509 4.404 0 40 EIAB Oc1ccc(N(CCc2ccccc2)Cc2nnsc2Cl)cc1 81015397 FZNQQGUWUPTUNE-UHFFFAOYSA-N 345.855 4.146 0 40 EIAB Cc1cc(=O)c(C(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)c[nH]1 81291320 QBXYCRVIGYVFDW-OAHLLOKOSA-N 346.430 4.202 0 40 EIAB C[C@@]12C[C@H](NC(=O)N1Cc1ccccc1)c1cc(Cl)ccc1O2 101084900 RLTCGGPMJODAEL-MAUKXSAKSA-N 328.799 4.105 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccccc2Cl)cc1 113969465 KJEORZKPTSRFLI-SFHVURJKSA-N 331.843 4.376 0 40 EIAB C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@@H](c2ccco2)C1 158425005 AOWQDWXCEBXKBY-DTWKUNHWSA-N 342.371 4.074 0 40 EIAB O=C(O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O 216936075 GHIIXNZYEXFPLL-UHFFFAOYSA-N 335.142 4.465 0 40 EIAB CSc1ccccc1NC(=O)COc1cccc2c1CCCC2 222981475 LWVBGLOYFHBMGO-UHFFFAOYSA-N 327.449 4.305 0 40 EIAB O=C(OCc1ccccc1Cl)c1snnc1-c1ccc(F)cc1 223843543 MCFVGWHKLYDHRW-UHFFFAOYSA-N 348.786 4.355 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225117711 FQWPTJCKAXNCMB-IBGZPJMESA-N 342.435 4.376 0 40 EIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ncccc12 225905120 VXINICGOAWZDIY-HXUWFJFHSA-N 344.455 4.413 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 257240398 HTGLPGCSHVMRJD-GOSISDBHSA-N 337.467 4.363 0 40 EIAB Fc1cccc(-c2ccc(CNc3ccc4nn[nH]c4c3)o2)c1F 1560381027 VDIYJWALDOYLGA-UHFFFAOYSA-N 326.306 4.108 0 40 EIAB O=S(=O)(Nc1ccccc1Cl)c1ccccc1C(F)(F)F 74691 IRLDTNRTAHYIMS-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1Cl 175984 VJDDAXZMQFKIDN-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2C)CC1=O 251970 JGWBPZNKQZZEHZ-CYBMUJFWSA-N 339.826 4.056 0 40 EIAB Cc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1C 380225 PLVJOEQPOZVDTB-UHFFFAOYSA-N 347.208 4.106 0 40 EIAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1ccc(Cl)cc1 411386 MDWMPVICWQMGMO-UHFFFAOYSA-N 346.795 4.071 0 40 EIAB C[C@@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2c2c(Cl)cccc21 488291 RGOIRMSFDXYJFH-YMTOWFKASA-N 327.767 4.247 0 40 EIAB biogenic Cc1ccc([C@]2(CC(=O)N3CCCC3)CCO[C@@H](C(C)C)C2)cc1 554069 YAWLRKLUJJGWHP-TZIWHRDSSA-N 329.484 4.080 0 40 EIAB O=S1(=O)CC[C@@H](Sc2ccccc2Cl)c2ccsc21 1398521 ISXORIDTQWHGJD-LLVKDONJSA-N 330.883 4.412 0 40 EIAB COc1ccc(OCc2cnc(OCc3ccccc3)s2)cc1 1402011 NMZMEDBHNIPSAG-UHFFFAOYSA-N 327.405 4.310 0 40 EIAB COc1ccc([C@@H](O)P(=O)(OCC(C)C)OCC(C)C)cc1 2281288 NOSBGNNBXLHPNW-INIZCTEOSA-N 330.361 4.224 0 40 EIAB CCC(CC)c1nnc(NC(=O)CCc2ccccc2OC)s1 2628758 URWQGXLSMZQNSX-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB O=C(CSc1nc2ccccc2o1)N[C@H]1CCCc2ccccc21 3273527 BUQHCWWPNQVKDC-HNNXBMFYSA-N 338.432 4.114 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1cccc(Oc2ccccc2)c1 3310997 ZRJXTQUWBDBWHY-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB C[C@@]1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl 3502002 QAGUSRBIQUJFMG-INIZCTEOSA-N 337.202 4.150 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849755 SVLVKYHISIXPST-HGDYXINXSA-N 332.484 4.401 0 40 EIAB biogenic Cc1noc2c1[C@@]1(C)CC[C@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 4025685 CWEKHXSSQMBRHH-JBQOJDCNSA-N 327.468 4.320 0 40 EIAB S=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1cccs1 4059451 HYADCKGBAXLVGN-KRWDZBQOSA-N 339.489 4.352 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107353 YSHFPOCLENQUDE-JLHYYAGUSA-N 345.402 4.267 0 40 EIAB Cc1c(C)n(-c2ccccc2)c2nc(C)n(-c3ccccc3)c(=N)c12 5486452 GADUKFOVEAOABP-UHFFFAOYSA-N 328.419 4.221 0 40 EIAB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 5910079 VUHHPCNWKDEWOX-VBNZEHGJSA-N 335.831 4.203 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)OCc1ccccc1 8845484 ANXCPDCAHALBAM-UHFFFAOYSA-N 344.374 4.145 0 40 EIAB Cc1ccc(/N=c2\scc(-c3cccs3)n2CCO)c(C)c1 9317419 SHJDCAGRQCWEJA-ZCXUNETKSA-N 330.478 4.120 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)nc(C(C)C)n2)c1C 9456077 CDJOSAUCPDLSLM-UHFFFAOYSA-N 345.468 4.031 0 40 EIAB COc1ccccc1NC(=O)NCCCSc1ccc(F)cc1 9513959 JQACAPXGSUMMDR-UHFFFAOYSA-N 334.416 4.138 0 40 EIAB Cc1ccc(-c2ccsc2C(=O)Nc2cccc(C(N)=O)c2)cc1 9576016 PQEKMOSXMMERQY-UHFFFAOYSA-N 336.416 4.075 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cn1 12534609 RDOGMVOGMNWCKP-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB C[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1 12764045 XXNQZAYOZKHZHD-GFCCVEGCSA-N 326.396 4.440 0 40 EIAB O=C(CCc1ccco1)N1CCC[C@H]1c1nc2ccccc2s1 14200003 VQZJLWMZSOLNSJ-HNNXBMFYSA-N 326.421 4.186 0 40 EIAB Cc1csc(N(C(=O)c2ccc(Cl)nc2)c2ccccc2)n1 14586834 CPDUCIOYHXUWAL-UHFFFAOYSA-N 329.812 4.478 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc4ncccc34)cc2)n1 14791869 AHCABJXIACDDKW-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CCOc1ccc2oc(C)c(C(=O)Nc3cccc(OC)c3)c2c1 15880495 IOTLMZDNPBWURT-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB biogenic Cc1nn(C(=O)Nc2ccccc2Cl)c2nc3ccccc3nc12 16266378 ZPFCJHPTVAYEPD-UHFFFAOYSA-N 337.770 4.022 0 40 EIAB Cc1nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2n1-c1ccccc1 16641671 OYJNQYXXCXTFIB-HNNXBMFYSA-N 333.435 4.206 0 40 EIAB CN(C[C@@H]1CC=CCC1)C1CCC2(CC1)CNCc1ccccc1O2 19585970 SABHVRWHBUEVHB-HOHBBMLPSA-N 340.511 4.138 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 20107026 GKNKNXUPQJRSNS-MRXNPFEDSA-N 343.492 4.423 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20491871 GQISRMXGZNCVEM-HOTGVXAUSA-N 327.424 4.038 0 40 EIAB COc1ccc([C@](C)(O)[C@H](CN2CCCCC2)c2ccccc2)cc1 21169985 PUNVHTFMJIWTCK-YADHBBJMSA-N 339.479 4.172 0 40 EIAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 23192116 QVKNOGOJPOMLML-AWEZNQCLSA-N 328.460 4.150 0 40 EIAB Cc1ccc(-c2ccc(OCC(=O)NCc3cccs3)cc2)cc1 23656527 ZKELMVKJPVGTIP-UHFFFAOYSA-N 337.444 4.419 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)C1(C)C 25156829 LYHLATABDYOCRS-WOJBJXKFSA-N 340.511 4.137 0 40 EIAB CCCOc1ccccc1C(=O)Nc1nc(-c2ccccc2)ns1 27664114 SKZQSXCOXCVIBS-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB Cn1c(NC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21 27924013 JTDQPYLACGEHIF-UHFFFAOYSA-N 327.387 4.493 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 32585805 DLDRRALVJNNAFF-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCc2ccccc2C1 32754459 JTDFLFSVRYPMDB-MRXNPFEDSA-N 348.446 4.011 0 40 EIAB O=C(NCc1ccco1)c1cc(Cl)cc(Cl)c1OC(F)F 32973879 WJSYNLOZIYVCCI-UHFFFAOYSA-N 336.121 4.118 0 40 EIAB C[C@@]12Cc3cn[nH]c3C=C1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 33655288 OIIHTRLQCQVVQC-DADBAOPHSA-N 326.484 4.343 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN[C@@H]1CCCC[C@@H]1C 35075100 XYNAGHMHYXSCDA-ZAAXVRCTSA-N 328.500 4.096 0 40 EIAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCO[C@@H]2CCCC[C@@H]21 40145740 IPVYZLOYBFPAAZ-KATAIJTDSA-N 339.435 4.178 0 40 EIAB C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1 41127114 MSUYONRLPUDOTM-OAHLLOKOSA-N 334.419 4.438 0 40 EIAB Cc1ccc2c(CSc3nnc(C(C)(C)C)o3)cc(=O)oc2c1 48375071 QNMZEWIHMMNZJI-UHFFFAOYSA-N 330.409 4.074 0 40 EIAB Cc1noc(C)c1CN(C)Cc1cccc(C(=O)Nc2ccccc2)c1 54174700 ALLHALQZUJQEAC-UHFFFAOYSA-N 349.434 4.176 0 40 EIAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc2c1OCCO2 58393610 HBMPSXPUJITVIL-UHFFFAOYSA-N 337.419 4.174 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(SC)c2)cc1OC 71761282 XLPQPUFECQUVEZ-UHFFFAOYSA-N 334.466 4.235 0 40 EIAB C[C@H](c1cccnc1)N(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 75582602 MEDWFALGFGYFMQ-HZPDHXFCSA-N 325.456 4.150 0 40 EIAB CC/C=C(/C)C(=O)N(CC)[C@@H](c1ccc(OC)cc1)c1cccnc1 79034560 IWWIJSGREJPBCB-JYKCAJKKSA-N 338.451 4.384 0 40 EIAB C[C@H](CNC(=O)Nc1cccc(F)c1)c1nc2ccccc2s1 84638437 RVNXNFDRJHHBRC-LLVKDONJSA-N 329.400 4.361 0 40 EIAB CCC1(CNC(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)CCCC1 89948189 ORVGEJCYCOWCLM-UHFFFAOYSA-N 331.460 4.354 0 40 EIAB Cc1nc(C(C)C)c(-c2nn3c(-c4ccco4)nnc3s2)s1 95480854 CEUWDMQZCLXDPH-UHFFFAOYSA-N 331.426 4.001 0 40 EIAB CC(C)(C)C[C@@H](NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F 95994608 XWEUFOJVCVFHJT-GFCCVEGCSA-N 337.769 4.071 0 40 EIAB Cc1ccc(NC(=O)Nc2ccc(O)cc2)c(OCC(F)(F)F)c1 97164675 LLMUZSLVDNFHIO-UHFFFAOYSA-N 340.301 4.286 0 40 EIAB CCC(CC)c1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)on1 97236432 RCJVZLHMJVEXIA-UHFFFAOYSA-N 327.306 4.244 0 40 EIAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102221279 JZXITSBQMHMWES-CBBWQLFWSA-N 328.481 4.170 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1C 222634430 XGAZVCYOLLLFBN-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccnc1 223914914 QWGTXSSFBPSURX-UHFFFAOYSA-N 343.839 4.482 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 224284560 WYLLIACBMCGUOO-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB COc1ccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225083284 BXWBDVQFBNOGQP-AWEZNQCLSA-N 341.190 4.077 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225750231 WYGBTBTYWYIQSN-QGZVFWFLSA-N 331.843 4.467 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@](C)(CCC)OCCC)cc1C 225906012 VBIXKGVDTJVEGL-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)c(C)n1 225911092 UQHNWJQIVPTREV-MGPUTAFESA-N 348.487 4.493 0 40 EIAB CCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1CC 231431218 JKOUGEMHMOQZDN-UHFFFAOYSA-N 341.517 4.141 0 40 EIAB O=C(NCc1ccc(-c2ccco2)o1)c1cccc(C(F)(F)F)c1 575609114 OQQOOGBLYOVGOG-UHFFFAOYSA-N 335.281 4.488 0 40 EIAB COc1ncc(C)cc1NC(=O)N1CCCCC[C@H]1c1ccco1 673765551 AGEFGDDQRFLUDE-HNNXBMFYSA-N 329.400 4.141 0 40 EIAB Clc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 82085 IINKJRJYJQONCI-UHFFFAOYSA-N 335.798 4.081 0 40 EIAB COc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 298337 IRKPDXUGYZIHSR-UHFFFAOYSA-N 346.382 4.402 0 40 EIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccccc1 581884 CLPKJOVGUJOMBM-UHFFFAOYSA-N 341.407 4.221 0 40 EIAB CCCc1cc2c(cc1CSc1ccccc1C(=O)O)OCO2 1696674 CIIVNAYSHDJNNA-UHFFFAOYSA-N 330.405 4.358 0 40 EIAB C[C@@H]1CCc2c(sc3ncn4c(-c5ccc(F)cc5)nnc4c23)C1 2887018 OPHFBAPJFYBRBK-SNVBAGLBSA-N 338.411 4.270 0 40 EIAB COc1ccc(-c2nnc(S[C@@H](C(C)=O)c3ccccc3)o2)cc1 3437100 NARWSNJHJDQJDZ-INIZCTEOSA-N 340.404 4.168 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OC 3482960 WFOKOTVFRNTEIE-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1F 4077220 HVTCJTRPNQSUCH-UHFFFAOYSA-N 339.395 4.011 0 40 EIAB Cc1cc2ccccc2n1CCNC(=O)Nc1cn(C)c2ccccc12 5265756 GDCJHLBEEYRTJP-UHFFFAOYSA-N 346.434 4.263 0 40 EIAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc(F)cc2)o1 6229187 DWHCSALZYNYDPF-ATVHPVEESA-N 333.318 4.430 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1cccc(/C=C/c2ccccn2)c1 8729333 LNODTLSSBRFYDN-JXMROGBWSA-N 348.377 4.409 0 40 EIAB CC1(C)Cc2cccc(OCc3cc(Cl)cc4c3OCOC4)c2O1 8783071 XQXCCFMCXUVIAF-UHFFFAOYSA-N 346.810 4.499 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9060202 HUHIRPOFQCQFJO-INIZCTEOSA-N 331.375 4.286 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 9062874 WJXXTUWCKXYKQF-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB Cc1ccc2c(CC(=O)Nc3cccc4ccccc34)cc(=O)oc2c1 9704916 QWVLRENANRKNFH-UHFFFAOYSA-N 343.382 4.436 0 40 EIAB Clc1ccccc1Cn1ncc2c(NC3CCCCC3)ncnc21 10490885 LLXWVRIKPRTTDE-UHFFFAOYSA-N 341.846 4.273 0 40 EIAB O=C(Nc1nnc(C2CCCCC2)o1)c1ccc2c(c1)CCCC2 10881409 HUZDALCLHOULOX-UHFFFAOYSA-N 325.412 4.248 0 40 EIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC(C)(C)C 11614024 SOSWLDMINUOPFN-UHFFFAOYSA-N 347.908 4.294 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 11996574 NCMZQTLCXHGLOK-FSLXVOFHSA-N 330.468 4.450 0 40 EIAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccccc1 12104725 HUDBPNGDFKSPID-CYBMUJFWSA-N 344.484 4.047 0 40 EIAB CCN1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 12539717 FXNJDCVASDVKAV-GOSISDBHSA-N 347.462 4.037 0 40 EIAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC1CCCCC1 12542115 AHXNIKSTCNVZJI-UHFFFAOYSA-N 343.515 4.046 0 40 EIAB Cc1cc(CSc2ncccc2C(=O)NC2CCCCCC2)no1 12687661 RMCHNIMEEQMFOP-UHFFFAOYSA-N 345.468 4.123 0 40 EIAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(N)=O)CC[C@@H](C)C3 12749043 FKFVPUGJLUFIRM-LLVKDONJSA-N 336.460 4.495 0 40 EIAB O=C(c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12972138 BORPOYYEPPUKJP-CYBMUJFWSA-N 340.423 4.455 0 40 EIAB O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2cccs2)n1 14197279 GGLUAUYYVGUUTQ-UHFFFAOYSA-N 342.367 4.100 0 40 EIAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1Cc1ccccc1 14737640 CTICGLUMTUVVMD-UHFFFAOYSA-N 343.430 4.386 0 40 EIAB C[C@H](NC(=O)CN(C)C1CCCCC1)c1ccc(Cl)c(Cl)c1 16334366 RKSCDTCXFMBOAF-LBPRGKRZSA-N 343.298 4.435 0 40 EIAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 17072294 IDNGCYIMAWTMQX-CIQGVGRVSA-N 347.480 4.034 0 40 EIAB Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 19736069 HUMQKPRTRLANCA-JTQLQIEISA-N 339.222 4.290 0 40 EIAB COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 19898844 QVOJRHCLQKQWKX-UHFFFAOYSA-N 349.415 4.324 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 20038103 JCOWVFOUOBRPAY-AWEZNQCLSA-N 347.842 4.222 0 40 EIAB CCOC(=O)c1c(-c2ccc(F)cc2)nc(SC)nc1C(C)C 22058950 GWYKHRDRVZCVAW-UHFFFAOYSA-N 334.416 4.305 0 40 EIAB in-vitro COc1ccccc1NC(=O)c1cccnc1Nc1ccccc1OC 22072147 DCNTWBAIRFTRDN-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB Cc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 25624135 MQRUNZQIZMHBNT-GOSISDBHSA-N 336.460 4.474 0 40 EIAB O=C(OCc1c(F)cccc1Cl)c1cnn(Cc2ccccc2)c1 28578266 YENQUWXFXJDAJF-UHFFFAOYSA-N 344.773 4.081 0 40 EIAB O=C(Cc1cccs1)Nc1ccn(Cc2cccc3ccccc23)n1 32611724 DNUKSQPHGHCCAF-UHFFFAOYSA-N 347.443 4.327 0 40 EIAB COc1ccc(C)cc1CC(=O)N1CC[C@H](C)Sc2ccccc21 32845027 LHEVJNSEBFXQBP-HNNXBMFYSA-N 341.476 4.464 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1ccccn1 36835734 BTPNMOKHCVYFRE-QFIPXVFZSA-N 341.414 4.011 0 40 EIAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38833829 BZAWMIGEMMJFQE-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 40155426 SSUNBTINVDBDDU-FZKQIMNGSA-N 342.826 4.377 0 40 EIAB CCSc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 55703938 XZXFOWDICUTMKN-UHFFFAOYSA-N 340.448 4.178 0 40 EIAB O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@H]1c1ccncc1 56403362 ZGWZXHSELGPTKF-HNNXBMFYSA-N 325.799 4.194 0 40 EIAB Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)c1 58357398 BQXOQCUWYRFXAZ-YJBOKZPZSA-N 327.424 4.139 0 40 EIAB CCCC(=O)Nc1cccc(NCCOc2ccccc2F)c1C 58434909 GRPQBDZKYZYOJE-UHFFFAOYSA-N 330.403 4.364 0 40 EIAB Cc1cccc(C(=O)OCc2coc(-c3ccccc3Cl)n2)c1O 64494255 UNJNTYCKKPGAAT-UHFFFAOYSA-N 343.766 4.366 0 40 EIAB C[C@H](NC(=O)C1CCOCC1)c1ccccc1Oc1ccccc1 65603553 YTRFMHZEZCKMGL-HNNXBMFYSA-N 325.408 4.083 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1occc1C 65620652 XCEORCONEHMNPE-ZDUSSCGKSA-N 340.423 4.021 0 40 EIAB Cc1ncc(CN(C)C(=O)c2ccc(-c3ccsc3)nc2C)s1 69664323 GKHZEDVEXAGQFA-UHFFFAOYSA-N 343.477 4.156 0 40 EIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(O)c(Cl)c2)S1 71284559 IXTXBZUXDUYBDU-CYBMUJFWSA-N 337.832 4.415 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1cccc2cccnc12 72274474 LPUSOPQFRMOTIQ-GOSISDBHSA-N 334.467 4.354 0 40 EIAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(CC(C)C)C3)n2)n1 72375915 RBISKDUPWGSTSI-QGZVFWFLSA-N 339.487 4.067 0 40 EIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(Br)sc21 85389960 LFQFJZNWQYFFBC-QMMMGPOBSA-N 342.645 4.472 0 40 EIAB Cc1nnc(CSCc2csc(-c3ccccc3)n2)n1C1CC1 95459951 HFMHPCIYANZSAD-UHFFFAOYSA-N 342.493 4.478 0 40 EIAB CCn1/c(=N\C(=O)c2ccc(C)c(C)c2)sc2cccc(OC)c21 97551160 UDNDQJMEXVAZKA-FMQUCBEESA-N 340.448 4.089 0 40 EIAB Cc1ccc(CCCNC(=O)COc2cc(C)cc(C)c2C)cc1 218968003 QGAIAPRTCPLYKE-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB CCCOc1ccc(C(=O)NCCSCc2ccccc2C)cc1 218980829 KUKLFCRYGMQOQX-UHFFFAOYSA-N 343.492 4.447 0 40 EIAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)oc12 223193674 WSQVCPINGUSJDE-ZDUSSCGKSA-N 335.403 4.421 0 40 EIAB COc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1C 223408639 WUSLMBLAXMHXAC-UHFFFAOYSA-N 331.843 4.248 0 40 EIAB Cc1cnc(NC(=S)NCc2ccccc2Cl)c(Cl)c1 223932941 RVSSEKZCLQTNOB-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 225591777 FNHIWFBTJAMFKR-UHFFFAOYSA-N 331.026 4.438 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)c(C)c1 225598977 BQTGWXGKNXCZOT-QGZVFWFLSA-N 335.444 4.181 0 40 EIAB CC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1 225915626 IKDCXACHHUPCAI-UHFFFAOYSA-N 347.455 4.126 0 40 EIAB O=C(Nc1ccc(-c2nncs2)cc1)N[C@H]1CCC12CCCC2 685938849 VWOILWQLJNKYNA-AWEZNQCLSA-N 328.441 4.049 0 40 EIAB CCc1ccccc1OCC(=O)Nc1ccc(C)cc1Br 131285 ROQBYRFWFLRCME-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB Cc1cccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1 226901 LJELSRDGWOYYLE-OAQYLSRUSA-N 344.414 4.046 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1Br 364280 GWWRMWMWOWGHCC-MRXNPFEDSA-N 330.225 4.257 0 40 EIAB CCC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12 560809 JTSWOZOIIMKWGA-UHFFFAOYSA-N 334.419 4.490 0 40 EIAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)O)cc12 3319610 QYQPMXGCKWQWTQ-UHFFFAOYSA-N 341.219 4.460 0 40 EIAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 3342375 OADBGAHJNNOUNU-JTQLQIEISA-N 327.277 4.215 0 40 EIAB CCSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 3420809 RJLFCCBMIRZZDV-UHFFFAOYSA-N 346.839 4.160 0 40 EIAB C[C@@H]1CN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 3534147 ZQCQQFAMDPNHDC-HUUCEWRRSA-N 342.464 4.285 0 40 EIAB C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 4488765 HZUOOGXVGUDHJW-PCAWENJQSA-N 329.421 4.030 0 40 EIAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)C1CCC1 5507548 QDTCRBCZSXOZQE-UHFFFAOYSA-N 339.416 4.159 0 40 EIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(C)C 5536418 AGRVSCKOHCYXSU-UHFFFAOYSA-N 327.211 4.343 0 40 EIAB CCc1cccc(C)c1NC(=O)COC(=O)[C@H](CC)c1ccccc1 5836801 YDARBTWNOXKQKP-GOSISDBHSA-N 339.435 4.233 0 40 EIAB COC(=O)c1c(NC(=O)CCC2CCCCC2)sc2c1CCC2 6126353 YQRHDIADGKGMJS-UHFFFAOYSA-N 335.469 4.322 0 40 EIAB CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1OCC 6138860 CTLITYREXRMECE-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB Cc1nc2ccc(NC(=O)COc3ccccc3Cl)cc2s1 6223698 WRXKZJJYFWCXTN-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CC(C)Sc1nc2sc3c(c2c2nnc(S)n12)CCCC3 6256558 DPBICLBZMGHCFJ-UHFFFAOYSA-N 336.511 4.007 0 40 EIAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)c(C)c1C 6667935 RSVKANFEVVSNQJ-CYBMUJFWSA-N 329.465 4.060 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(F)c(Cl)c2)c1C 7551699 VVRIPXPZKAOMLE-NSHDSACASA-N 337.778 4.277 0 40 EIAB Cc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1C 7735886 WUPPXOLJXXPWGO-UHFFFAOYSA-N 325.799 4.246 0 40 EIAB O=C(CCSc1ccc(F)c(F)c1)N[C@H]1CCOc2ccccc21 8029520 AOQOCBAVABIMMM-INIZCTEOSA-N 349.402 4.087 0 40 EIAB Cc1cc(NC(=O)COC(=O)c2ccccc2Cl)ccc1Cl 8336218 FRYQXMVHNXBVKJ-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(F)cc1 9329383 YUEKNZUDCBKKAI-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccccc1 10110872 FMSUNZDZPNOCMS-INIZCTEOSA-N 343.492 4.315 0 40 EIAB O=C(CN1CCc2sccc2C1)Nc1cc(Cl)cc(Cl)c1 10341021 KSTKUCIAUDNHQK-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccc(C)cc32)c1 10382489 LWMIQNUNUGPXLI-UHFFFAOYSA-N 347.340 4.311 0 40 EIAB Cc1cc([C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c(C)s1 12330482 SVUGMUSLHKKAKT-LJQANCHMSA-N 331.456 4.327 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1sccc1-n1cccc1 12765375 NUEDHPQHFRQTPB-UHFFFAOYSA-N 325.418 4.401 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 13710770 MMIKPOJKOFZWJJ-NEFAXPCMSA-N 327.468 4.156 0 40 EIAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 15092288 OEKKZBIAHZCSQI-HNNXBMFYSA-N 332.447 4.467 0 40 EIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccoc1C(F)(F)F 16739568 OOLADSIAIBBYCJ-SECBINFHSA-N 327.277 4.419 0 40 EIAB Cc1cccc(CN2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)c1 19234996 OJSDGMNTAJGXCV-SFHVURJKSA-N 336.439 4.409 0 40 EIAB CCOc1cc(CN2CCCCC[C@H]2c2cc(C)no2)ccc1O 19531847 SRZGRVYPWLKLJB-INIZCTEOSA-N 330.428 4.205 0 40 EIAB CCOc1ccccc1-c1nnc(NC(=O)c2ccccc2Cl)o1 19927168 CFCHSJQSQCUXAN-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1Cl 19933863 PGGYOXJTKUSASG-GOSISDBHSA-N 349.833 4.386 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C 32585723 SKKUBWBNXQRUAR-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1OC 33850238 DRMYCAIJOHLQEA-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(OC)c1 38772887 LBHNYGJHLJGEPI-MRXNPFEDSA-N 343.423 4.117 0 40 EIAB O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 40106716 CETHJWAHQPBRNC-UHFFFAOYSA-N 348.377 4.008 0 40 EIAB O=C(Nc1ccnn1C1CCCC1)c1ccc(Br)s1 40160009 JWZCWIUEGAWPGT-UHFFFAOYSA-N 340.246 4.075 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2)c(OC)c1 40287588 ZRMLCKCUJPIWCU-HNNXBMFYSA-N 349.390 4.013 0 40 EIAB CCOc1c(Cl)cc(C(=O)N(CC)C2CCCC2)cc1OC 45487091 HJTXHSBFKYTQFN-UHFFFAOYSA-N 325.836 4.152 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364420 FJBOOSCFBFRCFM-SFHVURJKSA-N 344.414 4.154 0 40 EIAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1 51951654 OTRULTXHXWDKOS-DLBZAZTESA-N 349.352 4.006 0 40 EIAB Cc1nnc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)s1 52605512 LESFISJLXDXATD-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB CCn1c2ccccc2c2cc(CN(C)Cc3nc(C)no3)ccc21 58166868 PWTRGCKDEGBVIL-UHFFFAOYSA-N 334.423 4.138 0 40 EIAB Cc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c2ccccc2n1 58356831 PJOHIHRPUIPCEB-IERDGZPVSA-N 346.430 4.145 0 40 EIAB CC[C@@H](C)C(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58419634 VYPNBFGQGDMZEK-GFCCVEGCSA-N 347.409 4.107 0 40 EIAB CCC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 60975367 JWQNKNGDCVWIIM-CQSZACIVSA-N 328.416 4.171 0 40 EIAB C[C@@H](Nc1nc2ccccc2s1)c1cccc(N2CCOC2=O)c1 68686742 GRFDKFUBSWJXOE-GFCCVEGCSA-N 339.420 4.426 0 40 EIAB CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 69185367 MSNMKSNVRZFTBG-INIZCTEOSA-N 326.396 4.122 0 40 EIAB Cc1cccc(N(C)C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1C 69587979 YEECEWYZBAIMJY-UHFFFAOYSA-N 346.434 4.038 0 40 EIAB Cc1c([C@@H](C)NC(=O)N(C)Cc2ccncc2)oc2ccc(F)cc12 69770465 QYHMEPYOMDTGPU-CYBMUJFWSA-N 341.386 4.178 0 40 EIAB CC(C)N1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214459 BSWGDKWDLUSTNH-INIZCTEOSA-N 333.476 4.388 0 40 EIAB CC(C)N1CCCCC[C@H]1Cc1c(C(N)=O)sc2ccccc12 72370760 LCTQVRMPRQXPBI-AWEZNQCLSA-N 330.497 4.196 0 40 EIAB Cc1ccc(CN(C)C(=O)Nc2ccccc2N2CCCC2)s1 76500857 HIWBRPMUGFRHFR-UHFFFAOYSA-N 329.469 4.321 0 40 EIAB CCOC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 85398392 KFWKBXGLTOETEB-UHFFFAOYSA-N 345.196 4.169 0 40 EIAB Clc1cccc(-c2cnc3n2C[C@H](CNC2CCCCC2)OC3)c1 96269352 PWHAZLDGQRLLIG-KRWDZBQOSA-N 345.874 4.025 0 40 EIAB biogenic,in-vitro c1cnc2oc(Nc3ccc(Nc4nc5cccnc5o4)cc3)nc2c1 96318517 NXLUCRVLBLZPKL-UHFFFAOYSA-N 344.334 4.246 0 40 EIAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c(OC)c1 102731929 JMUVVGCEEZVUJM-KRWDZBQOSA-N 340.379 4.214 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)NCc2ccc3ncccc3c2)c1 193756758 AUZGHOIGJIESAM-CQSZACIVSA-N 335.407 4.264 0 40 EIAB O=C(c1noc2c1CCCC2)N1CCCC[C@H](c2ccc(F)cc2)C1 206874772 XQYSCXSVMKJBBW-HNNXBMFYSA-N 342.414 4.102 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc2ccccc2c1 222836872 GSGHOJUACUHKJM-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 223411259 AWRDMZRPPWVNRO-CQSZACIVSA-N 333.884 4.321 0 40 EIAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccccc1 225480423 WFLKVMKNGJOYJW-INIZCTEOSA-N 342.464 4.219 0 40 EIAB COc1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)c1 225655899 QLSRXBWVIUDYQX-UHFFFAOYSA-N 343.423 4.397 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1 225680599 GXJOHFXLLBXOFI-ZDUSSCGKSA-N 347.455 4.182 0 40 EIAB CCO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)c(C)c1)C1CC1 225725009 GKEDYHVURSHHPQ-FQEVSTJZSA-N 331.456 4.460 0 40 EIAB Cc1cnc([C@@H]2CCCN(C(=O)c3cccc4cccnc34)C2)s1 257257346 KPDPANADUDVSEI-OAHLLOKOSA-N 337.448 4.020 0 40 EIAB Cc1ccc(CN2CCn3c(-c4cccc(F)c4)cnc3C2)s1 306141010 VIUXJYIYBVYMAO-UHFFFAOYSA-N 327.428 4.075 0 40 EIAB CC(C)Cn1cc(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)cn1 331681152 ZEBVMRRALYYHKN-FQEVSTJZSA-N 340.471 4.125 0 40 EIAB Cc1ncc(CN(C)[C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)s1 565102351 GZQHYUZCEKLVDK-ZDUSSCGKSA-N 345.251 4.016 0 40 EIAB CC(C)(C)c1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)no1 607781393 JXLXXPALMLIIJV-IBGZPJMESA-N 349.434 4.019 0 40 EIAB O=C(Cc1c(F)cccc1Cl)NCC(c1ccco1)c1ccco1 675007809 SAJIRLJATXXFIA-UHFFFAOYSA-N 347.773 4.156 0 40 EIAB O=c1cc(CN2CCC[C@H](c3ccccc3)CC2)c2ccc(O)cc2o1 1653297445 JTOKBISXWOUXQU-KRWDZBQOSA-N 349.430 4.268 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCc3ccc(F)cc32)c1 1658528175 AYEPMXJRPDTAGJ-UHFFFAOYSA-N 347.777 4.032 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)Nc1ccccc1F 1775968346 CMCWXCAGGWKTFC-ZDUSSCGKSA-N 346.383 4.002 0 40 EIAB CCOc1ccc(C(=O)C[C@@H](Sc2ccc(C)cc2)C(=O)O)cc1 44801 OUFNCLQTZLIOIN-GOSISDBHSA-N 344.432 4.212 0 40 EIAB CCC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267986 NHMCUUWCWNYGQI-HNAYVOBHSA-N 337.419 4.428 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@@H]1C2 352965 IHNZRJWSQGNGQN-JDNHERCYSA-N 326.223 4.327 0 40 EIAB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccc(F)c1 363392 KYEHBFDGKQPVSZ-UHFFFAOYSA-N 336.318 4.264 0 40 EIAB CCOc1cc(CO)ccc1OCc1ccc(Cl)cc1Cl 516847 XCAVHXKCDSQALP-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB COc1cccc2c1OCC(C(=O)Nc1cccc(C(F)(F)F)c1)=C2 1388126 WIUPZHPFMMGVIE-UHFFFAOYSA-N 349.308 4.129 0 40 EIAB CCC(=O)Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O 1789891 XPAJDEWTOOGTFA-UHFFFAOYSA-N 328.751 4.429 0 40 EIAB biogenic,in-vitro CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C)oc1C 2664010 DRKZJSHTUHELDD-LBPRGKRZSA-N 329.396 4.205 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=S)NC(=O)C1CCCCC1 3329429 NZEIFAOQGJGUDZ-UHFFFAOYSA-N 348.512 4.386 0 40 EIAB Cn1c(SCc2ccccc2F)nnc1-c1c[nH]c2ccccc12 4138467 MKECDNNCRQTUJK-UHFFFAOYSA-N 338.411 4.395 0 40 EIAB O=C(OCCCc1ccncc1)C1c2ccccc2Oc2ccccc21 5200897 WZCOCYALCHDZNX-UHFFFAOYSA-N 345.398 4.495 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 5442952 FBEBPUPEHKCVIR-QGZVFWFLSA-N 333.353 4.442 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5693430 NODMWGQCDYQKDU-CJNGLKHVSA-N 333.387 4.217 0 40 EIAB CCCCOC(=O)[C@H](OC(=O)Nc1ccccc1)c1ccccc1 5783841 ZPACLSKYMGHHMZ-QGZVFWFLSA-N 327.380 4.320 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nnc(C)n2-c2ccccc2)c1 6109190 BUOZIFTWBWHFKK-UHFFFAOYSA-N 337.448 4.168 0 40 EIAB CCC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 6324970 OBZPODHXSNSOQP-KRWDZBQOSA-N 336.479 4.163 0 40 EIAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(C)cc1 6743456 VCEMBSASRRBMIN-UHFFFAOYSA-N 349.478 4.242 0 40 EIAB CCOc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342919 QXHDZRCUPOMEQF-WJDWOHSUSA-N 340.404 4.179 0 40 EIAB C[C@@H]1Oc2c(C(=O)NCCc3c[nH]c4ccccc34)cccc2[C@@H]1C 8275942 PEDBDRRKYBNSPG-KGLIPLIRSA-N 334.419 4.025 0 40 EIAB O=C(NCc1cccs1)c1ccc(OCCc2ccccc2)cc1 8564312 SJMQMNBINQYBDY-UHFFFAOYSA-N 337.444 4.300 0 40 EIAB CCOc1ccc(Oc2c(-c3ccc(OC)cc3O)n[nH]c2C)cc1 8739968 RMPWZRITMISCQL-UHFFFAOYSA-N 340.379 4.290 0 40 EIAB biogenic C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 8774490 IJJLEVVPCDPBCS-GFCCVEGCSA-N 328.462 4.292 0 40 EIAB COc1ccc(CNc2nc3ccccc3n2C)c2c(OC)cccc12 12523748 FTADZMUBPGNGMQ-UHFFFAOYSA-N 347.418 4.356 0 40 EIAB c1ccc([C@H]2c3ccsc3CCN2Cc2nc(C3CC3)no2)cc1 12552828 UBZLSQGKXUPKTC-SFHVURJKSA-N 337.448 4.156 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1c[nH]c(=S)n1-c1ccccc1 12643968 WRTNAZGROXJWIW-UHFFFAOYSA-N 343.839 4.118 0 40 EIAB c1ccc(-c2nc(CSc3nnnn3C3CCCCC3)co2)cc1 12751034 WNNMPMOQZOUEIV-UHFFFAOYSA-N 341.440 4.126 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc(C)s2)cc1F 12901935 GEWRXZCQIDDKOV-GFCCVEGCSA-N 349.427 4.045 0 40 EIAB Cc1cc(C)c(NC(=O)CNc2nc3ccccc3s2)c(C)c1 12972233 AYLWVQUHRMXXCL-UHFFFAOYSA-N 325.437 4.272 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 13613756 DLCMLTGSIDHRFS-YRNVUSSQSA-N 343.810 4.477 0 40 EIAB O=C1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 14121360 FNHQMQUGBNTCEF-UHFFFAOYSA-N 338.190 4.059 0 40 EIAB NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 14523210 WQVRUGVUGKVFAC-UHFFFAOYSA-N 343.386 4.001 0 40 EIAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 14709765 KZQOZEJXZGVBFF-UHFFFAOYSA-N 349.409 4.451 0 40 EIAB c1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@H]2CCCO2)cc1 15973736 WEQRWCJMMPLWPX-DPPKGPFUSA-N 337.448 4.023 0 40 EIAB COc1cc(OC)c(NC(=S)Nc2cccc(F)c2)cc1Cl 17071320 YXZIBTWPGFBHGQ-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB CCC(=O)c1ccc(Br)cc1NC(=O)Cc1ccccc1 20102992 BKGRYZVUDZENPP-UHFFFAOYSA-N 346.224 4.223 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 20344971 DXCVLICWWVQFNQ-SNVBAGLBSA-N 339.222 4.290 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(C)cc1 20495569 XCVAAVOAXKDKOG-IBGZPJMESA-N 325.452 4.428 0 40 EIAB CC(C)c1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236239 COLDITWNNXDFOR-UHFFFAOYSA-N 338.382 4.053 0 40 EIAB Cc1noc(C)c1CSc1ncccc1C(=O)Oc1ccccc1 23819761 DLVJOLAODVFBQD-UHFFFAOYSA-N 340.404 4.198 0 40 EIAB CCOCCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 32514166 JJMJTYBAIZRVIA-FQEVSTJZSA-N 336.435 4.108 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 38755818 JUXPMVQAVSPBEO-ILCGBQQYSA-N 327.468 4.237 0 40 EIAB Cc1ccsc1C(=O)N[C@H](C)Cc1ccc(Br)cc1 40108457 QROCXYQPLQAZQU-LLVKDONJSA-N 338.270 4.180 0 40 EIAB Cc1nc(C)c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)s1 44869422 NHRABBPZDHGAJJ-SNVBAGLBSA-N 331.466 4.203 0 40 EIAB CCOc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ccsc2)n1 55995279 RBQWPIYNFRZFDW-ZDUSSCGKSA-N 336.844 4.173 0 40 EIAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)C(F)(F)F 57316734 CPKLJRCKNWOZBL-UHFFFAOYSA-N 341.676 4.044 0 40 EIAB CCCCN(CCCC)Cc1ccc([C@H]2C[C@H](C(=O)O)CC2=O)cc1 57327813 SDTONHOWMYEACA-RBUKOAKNSA-N 345.483 4.236 0 40 EIAB COc1ccc([C@H](C)C(=O)Nc2ccccc2CN2CCCC2)cc1 69519694 OLUXGWOVUPPDLS-INIZCTEOSA-N 338.451 4.033 0 40 EIAB Cc1ccsc1CNC(=O)N[C@H](c1ccccc1)c1ccncc1 69697047 AESRIYFFIRMEQD-GOSISDBHSA-N 337.448 4.040 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1cc(F)ccc1-n1ccnc1 72292841 KUEBHULTNXYRPN-UHFFFAOYSA-N 333.725 4.056 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1F 72331693 DICIOEHMRWZTEW-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB CC[C@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1 75146885 NFWWVIBDIUVBNI-KRWDZBQOSA-N 333.457 4.045 0 40 EIAB C[C@H](SCC(=O)NC1CCOCC1)c1ccc(Cl)c(Cl)c1 76394822 QMRPDFPKEONKKF-JTQLQIEISA-N 348.295 4.083 0 40 EIAB Nc1nc(Cl)cc(Nc2cccc(COC3CCCCC3)c2)n1 84374489 JAXMHEDAWPRHIN-UHFFFAOYSA-N 332.835 4.305 0 40 EIAB COCOc1ccc(OC)cc1CN[C@H](C)c1cccc(Cl)c1 89905208 ZHDYRFGKIWPBRN-CYBMUJFWSA-N 335.831 4.182 0 40 EIAB C[C@@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@@H](C)O1 95356644 VTCQGSQXOSMQPX-CHWSQXEVSA-N 340.452 4.049 0 40 EIAB C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 95419567 SONTWINKMISDTL-VBKZILBWSA-N 335.451 4.309 0 40 EIAB CC(C)n1ccc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc21 95476438 DVCOASWRRXBIHX-UHFFFAOYSA-N 332.407 4.029 0 40 EIAB Cc1cnc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)o1 97230692 PGFHXWQUKHPFAQ-ZDUSSCGKSA-N 327.359 4.160 0 40 EIAB Cc1cccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 170580254 UKFUKYJMVATBNX-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1cccc(OC)c1 216257087 MQHKBGXVTJUKKT-SFHVURJKSA-N 327.424 4.362 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 218962310 KJMYGEZANHERRP-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222589036 APLYOUDTQPHMQJ-IAOVAPTHSA-N 326.469 4.053 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1C 223218743 CBELBYXEZZPHAU-IAGOWNOFSA-N 337.463 4.437 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223445051 GMUVPMCZWLJFHY-KRWDZBQOSA-N 331.481 4.101 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1cccc2ccccc12 224287852 FWRYZJGFMJGMLM-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB CCc1ccc(OCC(=O)NCc2cc(CC)ccc2CC)cc1 224697331 GGSVQIZNWIPASH-UHFFFAOYSA-N 325.452 4.069 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 224927116 HEVVTDGTSJTZRO-KRWDZBQOSA-N 338.451 4.310 0 40 EIAB CC(C)C(NC(=S)Nc1ccc(Br)cc1)C(C)C 225326055 VZLBKRVRURASER-UHFFFAOYSA-N 329.307 4.416 0 40 EIAB COC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCC1 225626992 AYFNIDBJDUJWDB-UHFFFAOYSA-N 339.435 4.472 0 40 EIAB COc1ccccc1NC(=O)NCc1cncc(-c2cccs2)c1 225668110 VCDZZZISKBQPGY-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB COc1cc(C)c(C(=O)N[C@@H](C)COc2ccccc2)cc1C(C)C 225669340 VQPOAXXJSZRBQB-INIZCTEOSA-N 341.451 4.324 0 40 EIAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cn1 225900021 JYXJEZSGVXCFFB-KXBFYZLASA-N 334.460 4.184 0 40 EIAB Cc1cc(NC(=O)c2cccc3ccccc23)cc2sc(NN)nc12 226311512 IHTKYZIXYPHDCO-UHFFFAOYSA-N 348.431 4.296 0 40 EIAB Cc1noc([C@@H]2CCCN2C(=O)c2oc3c(C)ccc(C)c3c2C)n1 518148145 CAHFBMNFEIZLRT-AWEZNQCLSA-N 339.395 4.027 0 40 EIAB O=C(O)[C@H](c1ccsc1)N1CCC(c2c[nH]c3ccccc23)CC1 574458868 ZQPCRUHSXPDGFQ-SFHVURJKSA-N 340.448 4.235 0 40 EIAB O=C(CCc1ccccc1)NC[C@@H](c1ccco1)c1cccs1 585146802 RLYNNRUJBWYSQI-INIZCTEOSA-N 325.433 4.222 0 40 EIAB O=C(Nc1cc(Cl)cc2cccnc12)[C@H]1CCOc2ccccc21 590452687 AGNNVTBIBKYSNI-HNNXBMFYSA-N 338.794 4.393 0 40 EIAB COc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1 57974 BJRAVYIGDWDTIC-UHFFFAOYSA-N 331.165 4.231 0 40 EIAB biogenic Cc1ccccc1-c1nnc2sc(-c3ccc(Cl)cc3)nn12 523234 YNIPQKQXWBOHJZ-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 531893 TXGJTRLQWJYPRK-MRXNPFEDSA-N 333.435 4.275 0 40 EIAB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 571601 NXYQPKODCUDPAD-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB CCCCn1cnc2c(SCc3ccccc3Cl)nc(N)nc21 1675230 NTKOWYLNHQNNCM-UHFFFAOYSA-N 347.875 4.154 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1 2451623 MPZXABXCPHOVJY-UHFFFAOYSA-N 344.414 4.429 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2F)cc1 3611964 XOTUJCVMNMYQBX-UHFFFAOYSA-N 335.762 4.089 0 40 EIAB CCCCOc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 4330378 HBLARCGSFDJQOQ-UHFFFAOYSA-N 343.408 4.229 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1 4479478 DCAUSQSZXRFKEB-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)CSc3ccc(F)cc3)sc2C1 4496710 OTRSMFSRBVPDNM-SNVBAGLBSA-N 336.457 4.138 0 40 EIAB Cc1cc(C)n2cc(CSc3ccc(Br)cc3)nc2n1 4864565 NMMOYJJDOGFYPA-UHFFFAOYSA-N 348.269 4.401 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ncnc2sccc12 5299482 QXPCGKQGGQPXCL-UHFFFAOYSA-N 335.388 4.105 0 40 EIAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 6638933 YDTGXDPVOVASKX-FZKQIMNGSA-N 328.843 4.334 0 40 EIAB Cn1c(SCc2cc(Cl)cc3c2OCOC3)nc2ccccc21 8131852 OMVKOFMJKGLVSM-UHFFFAOYSA-N 346.839 4.386 0 40 EIAB FC(F)(F)c1cc(-c2ccco2)nc2c1cnn2Cc1ccncc1 8337903 AUKMTZWATWCIPP-UHFFFAOYSA-N 344.296 4.153 0 40 EIAB COc1cc(Cl)c(NC(=O)c2cc3ccccc3o2)cc1OC 10587189 FEDDMLFOGHQPDZ-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB O=C(/C=C/c1ccccc1Br)N1CCc2sccc2C1 10923343 JTVIOWSGEOOYGK-AATRIKPKSA-N 348.265 4.109 0 40 EIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 11201542 FVNWLSVULGUCCL-INIZCTEOSA-N 330.225 4.330 0 40 EIAB c1csc([C@H](CNc2ncnc3sccc23)N2CCCC2)c1 12747942 QIXMDIUHESGGMI-ZDUSSCGKSA-N 330.482 4.002 0 40 EIAB COc1ccc([C@@H]2N[C@H](c3cccnc3)Cc3cc(OC)ccc32)cc1 19557805 XAOHEWJYGGMQQO-VXKWHMMOSA-N 346.430 4.075 0 40 EIAB Cc1nc(C)c(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)s1 19560344 VLLZCVFWLVLISA-BDXSIMOUSA-N 340.492 4.462 0 40 EIAB COc1cccc(-c2nnc(CSc3nc4ccccc4o3)o2)c1 19928715 NWNZQXOQEGQIAD-UHFFFAOYSA-N 339.376 4.179 0 40 EIAB O=C(COCc1cc(-c2ccco2)on1)Nc1cccc2ccccc12 20534007 RNIZBLWDHSHJLX-UHFFFAOYSA-N 348.358 4.243 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(F)c1 20894245 MGWNPJBRWHZCBT-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 21933743 BNZWOSSHVSMQGD-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB O=C([C@@H]1Cc2ccccc2S1)N1CCC(Cc2ccccc2)CC1 21970528 MKXWMQMGNCDCTO-FQEVSTJZSA-N 337.488 4.185 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(NC2CCCC2)n1 22459414 QDCNDDZQEWNTLT-UHFFFAOYSA-N 333.457 4.286 0 40 EIAB COc1cccc(NC(=O)[C@H](C)Nc2cc(C)c(Cl)cc2OC)c1 22502162 OYNODNAYZUIYKM-LBPRGKRZSA-N 348.830 4.105 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)Nc3nc(C4CC4)cs3)c2)cs1 25562613 DCUQDNINVLNQTK-UHFFFAOYSA-N 330.438 4.033 0 40 EIAB O=C(/C=C/c1cccs1)N1CCC[C@H](c2nc3ccccc3o2)C1 27385667 LBAGSBRBHQCEOV-HBWSCVEGSA-N 338.432 4.309 0 40 EIAB Cc1cccc(OCc2ccc(C(=O)NCc3ccc(F)cc3)o2)c1 28238779 YCUCWZADSGQSRW-UHFFFAOYSA-N 339.366 4.236 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC(C)C)cc1 36561563 UVVZVINTCHEKPW-HXUWFJFHSA-N 341.451 4.256 0 40 EIAB O=C(CCC1CCCC1)NCc1cccc(OCc2ccccn2)c1 40106885 HGSQSTVAXDPWFO-UHFFFAOYSA-N 338.451 4.247 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1F 40478279 KFDOEYJBZJZCFB-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OCC 48252617 IEPCTAASJNVZPT-OWCLPIDISA-N 348.487 4.074 0 40 EIAB CCc1nc(-n2cccc2)sc1C(=O)NCc1ccccc1Cl 49006251 GQJXABWCVJKWJK-UHFFFAOYSA-N 345.855 4.080 0 40 EIAB O=C(O)c1cnc(-c2cccc(Cl)c2)nc1NCc1ccccc1 49469814 BZWVDIDWYDYPDS-UHFFFAOYSA-N 339.782 4.107 0 40 EIAB O=C(NC1CCN(c2ccccc2)CC1)c1cc2ccccc2s1 53262660 JWVTZIXJNKHUPL-UHFFFAOYSA-N 336.460 4.300 0 40 EIAB COc1ccc(C)cc1NC(=O)CN[C@H](C)c1ccc2ccccc2c1 57383350 DEKJTEPHLBHNQB-MRXNPFEDSA-N 348.446 4.446 0 40 EIAB CCCCNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58169068 NSISDZORGDBDKB-UHFFFAOYSA-N 335.423 4.266 0 40 EIAB COCC[C@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 60345403 FHJCMSGZRCWMHD-ZDUSSCGKSA-N 343.389 4.058 0 40 EIAB Cc1cccc([C@@H]2CCCN2Cc2csc(-c3cnn(C)c3)n2)c1 65533967 AGVLJQLMKZBORH-SFHVURJKSA-N 338.480 4.189 0 40 EIAB CC(C)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67889996 UAKIQGRZCBRFJJ-BEFAXECRSA-N 328.456 4.209 0 40 EIAB biogenic,in-vitro O=C(c1ccc2[nH]c(C(F)F)nc2c1)N(Cc1ccsc1)C1CC1 68553080 AGSNINHUCTZXMF-UHFFFAOYSA-N 347.390 4.367 0 40 EIAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 71909588 APZUUUGOTGMTGT-MYYSRTQBSA-N 348.512 4.212 0 40 EIAB CCN(CC)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72212932 OMNNCUXILXRLTK-IBGZPJMESA-N 337.467 4.295 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCOc3ccccc32)n1 72273925 KWONDEAZSHVOEP-CVEARBPZSA-N 342.464 4.071 0 40 EIAB CC[C@@H]1CN(Cc2nnc(-c3ccccc3C)o2)c2ccccc2O1 75840513 LRMSOGYGJOYRBJ-OAHLLOKOSA-N 335.407 4.223 0 40 EIAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@H]2CCC[C@H]21 81548864 YDLSQDWRHIWYKT-CXAGYDPISA-N 337.423 4.019 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(Cc2cccc3ccccc23)s1 95116302 LRRJGSBNRDTHIT-UHFFFAOYSA-N 325.437 4.267 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1ncccc1OCc1ccccc1 96319085 ZAYAPPXZAKUTCC-INIZCTEOSA-N 348.402 4.067 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)cc1 113959254 XTZPGZVHCNSSMW-UZLBHIALSA-N 341.451 4.347 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219486803 ZUFJOGQMBZBOQQ-MRXNPFEDSA-N 345.398 4.324 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219594878 XVAGLGPGJJTOPD-FXAWDEMLSA-N 341.451 4.045 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCSCc1ccccc1F 219739358 YEQFGPSKKYGYKT-UHFFFAOYSA-N 347.455 4.276 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222998421 GBWHUUQQIRIHGQ-MRXNPFEDSA-N 343.492 4.222 0 40 EIAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 223166111 BKIOBOUMBIGDKU-LJQANCHMSA-N 341.451 4.212 0 40 EIAB COC(=O)c1cc(NC(=O)CCc2ccc(C)c(C)c2)ccc1Cl 224205529 FUEMZQVQXUHHGG-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB Cc1ccc(OCCNC(=O)CCc2ccc(C)c(C)c2)c(C)c1 225169032 CLNFMWUCSIOARQ-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1c(F)cccc1F 225250599 XGPOSNJEMXFFIU-LBPRGKRZSA-N 331.362 4.250 0 40 EIAB CNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448225 HKZXJTUQVXIZBP-UHFFFAOYSA-N 333.391 4.164 0 40 EIAB COC[C@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1Cl 225598529 CZLJCFBAINTOPL-LBPRGKRZSA-N 325.836 4.273 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc2cccc(C)c2oc1=O 226035021 FDISZSIEKICPKZ-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CCOc1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257330461 XONUQQOHUBPMFP-BRVVMQMESA-N 345.483 4.246 0 40 EIAB COC(=O)CCc1ccccc1C(=O)N(C)C[C@@H](C)C1CCCCC1 1615610689 MLGPIVYCLDONRW-MRXNPFEDSA-N 345.483 4.081 0 40 EIAB Cc1ccc2nc(CN(c3ccc(Cl)cc3)C(C)C)cc(=O)n2c1 1653677944 YCZHNVCLKAAXEM-UHFFFAOYSA-N 341.842 4.071 0 40 EIAB Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Br)c1 38445 YBRXAFGRMPLYTJ-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 422798 QBDRVKMIADPSEQ-UHFFFAOYSA-N 337.448 4.074 0 40 EIAB O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccccc1Cl 425322 MAXZXHDQTCDIJW-UHFFFAOYSA-N 337.231 4.414 0 40 EIAB Clc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1 1260962 ZRGZOWSDFSPNSR-UHFFFAOYSA-N 338.758 4.153 0 40 EIAB O=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 1389019 GBQUOUSKDRVTGB-UHFFFAOYSA-N 331.400 4.362 0 40 EIAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccccc1C 1410554 GJZKRUYOVHZDSN-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB c1ccc(Cn2c3ccccc3n3c(Nc4ccccc4)nnc23)cc1 1433018 JQWKAHIHKSUWSH-UHFFFAOYSA-N 339.402 4.476 0 40 EIAB O=C(O)[C@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 2042223 CNEUIYKHILVQMV-IBGZPJMESA-N 331.371 4.220 0 40 EIAB COc1cc(C)c(CSc2ccc(NC(C)=O)cc2)cc1OC 3417121 PRNLLFNUNILYRU-UHFFFAOYSA-N 331.437 4.263 0 40 EIAB CN(C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1Cl 5573652 ZUSLYFXPBPWQOH-ABAIWWIYSA-N 330.255 4.271 0 40 EIAB COc1ccc2c(c1)OCC1=C2CC[C@]2(C)C1=CCC[C@H]2OC(C)=O 6614724 UJKBARGHRQTONW-NHCUHLMSSA-N 340.419 4.293 0 40 EIAB CCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2)C1=O 6629576 GUTVGPUFYBAICZ-FOWTUZBSSA-N 326.421 4.232 0 40 EIAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 6811373 NRRITZIBNXHYQH-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB CCc1ccccc1-n1nnc(C(=O)Nc2cccc(Cl)c2)c1C 6816224 NHMALMCZTIQQTP-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB CC(=O)c1cccc(NC(=O)CSCc2ccccc2Cl)c1 7094254 UUIVIZILFFDWMK-UHFFFAOYSA-N 333.840 4.415 0 40 EIAB CN(Cc1cccs1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8394395 ZIZLQCUMPFGUKR-UHFFFAOYSA-N 337.448 4.083 0 40 EIAB O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2ccccc12 8716915 UIOARAWRTQNPDH-UHFFFAOYSA-N 336.338 4.234 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 9062562 XHZLKAZEKKVLGJ-GOSISDBHSA-N 336.479 4.084 0 40 EIAB CSc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1 10285737 SXXODZAGBVNNBE-UHFFFAOYSA-N 328.462 4.290 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 10959211 SXIABHZZTNAFBV-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB COc1cccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 11916773 QKTWKUDAEKPDKA-UHFFFAOYSA-N 326.327 4.050 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)o2)cs1 12619268 DPFGFXGKQFBQIB-UHFFFAOYSA-N 326.421 4.258 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C(C)C)cc1 14343336 BZJQOVQECMKAEP-OAHLLOKOSA-N 327.424 4.075 0 40 EIAB COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1 15662391 XKNCWDXFNUNFLB-WFASDCNBSA-N 330.453 4.127 0 40 EIAB Cc1ccc(-c2n[nH]c(Nc3ccc(Cl)c(Cl)c3)nc2=O)cc1 16777324 RPQBPDXHPFJFGM-UHFFFAOYSA-N 347.205 4.191 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 18077336 LKBCKXPCCAQILL-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1 18364641 ZXLJEPYXPWXVAD-UHFFFAOYSA-N 341.436 4.337 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1cccc(C)c1C 20106615 XUZVJKOTVKPNQE-GOSISDBHSA-N 341.451 4.176 0 40 EIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccccc1 20145036 PXCJZLNSQDXHMC-XYOKQWHBSA-N 333.387 4.399 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(OC)cc1 20458473 PNERQWQHXCUTCT-RBUKOAKNSA-N 345.414 4.259 0 40 EIAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 21206587 LKFFPCKDONFZHB-UHFFFAOYSA-N 346.814 4.283 0 40 EIAB COc1cc(OC)c(CN[C@@H](C)c2cc(C)ccc2C)c(OC)c1 22786419 MGAUGHKHDYPOKZ-HNNXBMFYSA-N 329.440 4.180 0 40 EIAB CC(C)c1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C 24090645 ZZDBVJDLNSVIMI-UHFFFAOYSA-N 331.485 4.003 0 40 EIAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3ccccn3)cc2C1 28200043 KUDKPBJJUALESX-CQSZACIVSA-N 328.481 4.224 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 28231178 RSQAWUBGDGUHSR-PMACEKPBSA-N 345.446 4.290 0 40 EIAB Cc1nnc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)c2ccccc12 33942152 WSRUDUWCAAXFNN-OGWOLHLISA-N 326.465 4.424 0 40 EIAB O=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccc(Cl)cc1 39860652 BUKLXEOQJAYHJN-ZROIWOOFSA-N 331.780 4.287 0 40 EIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1Br 40438760 IRRXURZAWFUCRE-UHFFFAOYSA-N 333.160 4.322 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1cccc(-n2ccnc2)c1 47514576 WVXJSHLZTGVFPX-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB Cc1oc(Cn2ccc3ccc(Br)cc32)cc1C(=O)O 50165952 XCOVJISMCVGULK-UHFFFAOYSA-N 334.169 4.052 0 40 EIAB C[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 62300810 WDVCWHUDBXTGIM-WTANOLMUSA-N 341.430 4.257 0 40 EIAB O=C(NCCCCc1nccs1)Nc1ccccc1C(F)(F)F 65515182 SCKNBNAPCBTRGM-UHFFFAOYSA-N 343.374 4.306 0 40 EIAB O=C(Nc1cccnc1N1CCCCC1)c1ccc(Cl)cc1F 65862899 IPFGPRSERDKGLK-UHFFFAOYSA-N 333.794 4.117 0 40 EIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC(CO)CC1 69658635 DRQQGNGAMZVFEA-UHFFFAOYSA-N 336.501 4.122 0 40 EIAB Cc1cccc(-c2nnc(C3(c4cccc(F)c4)CCOCC3)o2)c1 71889908 SFAWAODBOHIVAV-UHFFFAOYSA-N 338.382 4.281 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1OC 77732717 HDUZHYCHQOCVCW-AWEZNQCLSA-N 345.464 4.440 0 40 EIAB O=C(Nc1cccc(F)c1)C1CCN(CCC2CCCCC2)CC1 78949947 IWVIRQFKMACSJX-UHFFFAOYSA-N 332.463 4.447 0 40 EIAB CC1(O)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 79106974 WQIOVGBWFNHFCI-UHFFFAOYSA-N 335.856 4.056 0 40 EIAB O=C(NCCCn1ccnc1-c1ccccc1)c1ccccc1Cl 85555027 WCMRMNBUDFBMHP-UHFFFAOYSA-N 339.826 4.024 0 40 EIAB C[C@H](N[C@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 95419569 SONTWINKMISDTL-XOBRGWDASA-N 335.451 4.309 0 40 EIAB O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1cccc(F)c1)CN2Cc1ccccc1 95951701 SETGIDMDBVUFBQ-CLAROIROSA-N 339.454 4.345 0 40 EIAB CS[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 96411733 XAPCLFDEDXQCHI-XHDPSFHLSA-N 349.887 4.145 0 40 EIAB Cc1nc(C[S@](=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)oc1C 97083624 JWGYHGXDZOPSCD-BSNNYGBQSA-N 347.358 4.200 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102299673 KRBRJHDNAYUDKD-YKTARERQSA-N 329.484 4.304 0 40 EIAB CCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 109767741 KFPQWAQWLFCWML-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 113948912 OMSGYUSDYSOHCP-HNNXBMFYSA-N 329.465 4.386 0 40 EIAB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 194429704 SXRANUOJLBQLQR-YBTHPKLGSA-N 327.902 4.332 0 40 EIAB COC(=O)c1cn(C(=O)CSCc2ccccc2)c2ccccc12 222570072 AISSAYUQZWZNLD-UHFFFAOYSA-N 339.416 4.002 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(C)c2)cc1 222755408 MROMGSHCTOSWMG-FQEVSTJZSA-N 341.451 4.286 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2cc(C)c(O)c(C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257246155 ISUYSEYZQBNVDJ-VEHAPZEISA-N 345.483 4.170 0 40 EIAB COC(=O)c1ccc(CN2c3c(OC)cccc3[C@H](C)CC2(C)C)o1 260622047 QNPADRBNXQOTIW-CYBMUJFWSA-N 343.423 4.367 0 40 EIAB CCCOC(=O)c1ccc(N=Nc2ccc(O)c(CC(=O)O)c2)cc1 299817119 DPHOCQNZARWEHS-UHFFFAOYSA-N 342.351 4.002 0 40 EIAB in-vitro O=C(N[C@@H](c1ccsc1)c1cccs1)c1noc2c1CCCC2 390827311 WXOGRPOPUYTUSR-HNNXBMFYSA-N 344.461 4.196 0 40 EIAB CC[C@H](NC(=O)c1cc(O)nc(C2CC2)c1)c1ccc(Cl)s1 548432144 DJMMKSYMESBXBE-NSHDSACASA-N 336.844 4.261 0 40 EIAB O=C(Nc1ccc(CN2CCc3ccccc32)cc1)Nc1ccccn1 588912265 GYBOUVMQWLFVMY-UHFFFAOYSA-N 344.418 4.288 0 40 EIAB COc1ccc(Br)cc1C1([C@@H](N)CC(C)C)CCC1 1772714953 QSYJLBKXFABELF-HNNXBMFYSA-N 326.278 4.253 0 40 EIAB COc1cccc([C@H]2Oc3cccc(OC)c3P2C(C)(C)C)n1 1772768991 YKAJTAYURKBDBW-NVHKAFQKSA-N 331.352 4.096 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 42274 OOPXYDOYGSQDRK-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(F)cc1 245491 UAXKMSSLKRJTIV-UHFFFAOYSA-N 331.350 4.393 0 40 EIAB CCc1ccc2nc(Nc3nc(C)c4c(n3)CCCC4)nc(C)c2c1 540737 VNQBCHXZWWPQEZ-UHFFFAOYSA-N 333.439 4.221 0 40 EIAB CCN(CC)C(=O)C[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1 554337 VIVYUPKFFHUSEU-CTNGQTDRSA-N 331.500 4.326 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 2209321 GWUGBGGKAOCMNX-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB O=C(c1ccc(Br)cc1)c1ccccc1Br 2567528 UVBUYAPAJGPEMU-UHFFFAOYSA-N 340.014 4.443 0 40 EIAB O=C(COC(=O)c1cccc(F)c1)Nc1ccccc1-c1ccccc1 3321654 KMWRQNMFJLULPL-UHFFFAOYSA-N 349.361 4.288 0 40 EIAB Cc1csc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)n1 3376269 GMEKEXGSMDCRRR-UHFFFAOYSA-N 348.493 4.411 0 40 EIAB CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)OC)cc2oc1=O 4151892 WNTZREHBSYHJTF-AWEZNQCLSA-N 346.423 4.165 0 40 EIAB O=C(COc1ccccc1F)Nc1nc(-c2ccc(F)cc2)cs1 5559065 ZMPBDSROOQZAHS-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 6629581 YKMODRIBABDBLL-RVDMUPIBSA-N 330.384 4.063 0 40 EIAB O=C(NCCc1cccc(F)c1)c1cc(C2CC2)nc2ccccc12 7124824 MOIOSCNJHJTILK-UHFFFAOYSA-N 334.394 4.224 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 7263845 IRWLDBHMRJUKCE-UHFFFAOYSA-N 329.705 4.376 0 40 EIAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2F)o1 7602141 VZOVBVJHQNXGBX-UHFFFAOYSA-N 332.404 4.036 0 40 EIAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCCC1 7989531 PMRGCTUDWSSZPY-CQSZACIVSA-N 348.796 4.418 0 40 EIAB COC(=O)c1cc(-c2cccnc2)nc2onc(-c3ccc(C)cc3)c12 8342520 STJNSEMPISJVBV-UHFFFAOYSA-N 345.358 4.047 0 40 EIAB COC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 8477664 FYXJQINGIXNJCE-UHFFFAOYSA-N 329.421 4.226 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1C 8762851 CLORUGJOLIYFBK-UHFFFAOYSA-N 328.412 4.090 0 40 EIAB COc1ccc2c(CC(=O)N(C)Cc3sccc3C)coc2c1 8762957 PVMLADGBNZKTGH-UHFFFAOYSA-N 329.421 4.012 0 40 EIAB O=C(Cc1ccc(Cl)cc1Cl)NCC1(c2ccccc2)CC1 9053888 MDSTYPOIWCUVOP-UHFFFAOYSA-N 334.246 4.384 0 40 EIAB CCOc1ccc(Nc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 9344382 FVNCXGVVTODWOE-UHFFFAOYSA-N 345.406 4.242 0 40 EIAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 12783474 GFAFFJANDKNARX-CHWSQXEVSA-N 347.459 4.012 0 40 EIAB C[C@@H](Sc1nnc2n1CCCCC2)c1nc2ccccc2s1 12812633 RWBWWNCWTWASKT-LLVKDONJSA-N 330.482 4.468 0 40 EIAB COc1ccc(C(=O)CSc2nccc3ccccc23)cc1OC 15109025 BYPVANQOSLMJRA-UHFFFAOYSA-N 339.416 4.227 0 40 EIAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)c(Br)c1 15315716 FJEPYRJAGCCZGD-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB Cc1ccccc1CNC(=O)Cc1scnc1-c1cccs1 15840241 XORSWOQHXDOSMD-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB BrC12C[C@H]3C[C@@H](C1)CC(c1nnc(-c4ccco4)o1)(C3)C2 16045567 QXAXFCPTLPEECW-IUOZQUQDSA-N 349.228 4.315 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NC(=O)/C=C\c1ccccc1 17041331 ZECDXOUDCHYBNM-KHPPLWFESA-N 330.840 4.175 0 40 EIAB Cc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 17172968 DXOKYTDFDGSPKO-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB Cc1ccccc1CNC(=O)Cc1csc(-c2cccs2)n1 17367224 DLCOBJHLKWNMSA-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB O=C(CC1CCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19405473 JZWCJYLPRZLTCR-SFHVURJKSA-N 338.455 4.106 0 40 EIAB CN(C)CCN(Cc1cccnc1)CC(C)(C)c1ccc(Cl)cc1 22862028 GKWPRYXHMJRCER-UHFFFAOYSA-N 345.918 4.076 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1Cl 22975449 UBPLRTYNDOOKRV-UHFFFAOYSA-N 346.239 4.229 0 40 EIAB CCCCNc1ncnc2sc([C@H]3COc4ccccc4O3)cc12 26503761 UWHDIATVQGLJSS-OAHLLOKOSA-N 341.436 4.416 0 40 EIAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc(F)cc1 29235679 JPHWHFXPMYLFMJ-UHFFFAOYSA-N 338.338 4.031 0 40 EIAB COc1cccc(-c2nc(CN(C)Cc3ccco3)cs2)c1OC 30978431 RFGYUEWYMHNOIS-UHFFFAOYSA-N 344.436 4.052 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)c(Cl)c2)s1)c1ccoc1 31037268 SBRBTBFNXTVQQE-UHFFFAOYSA-N 336.775 4.372 0 40 EIAB O=C(Cc1noc2ccccc12)N[C@@H](c1cccs1)C1CCCC1 32397048 JLHKPNIXNCGTEI-LJQANCHMSA-N 340.448 4.480 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1 32744461 UFPOBORGKUCTKS-NRFANRHFSA-N 345.446 4.330 0 40 EIAB Cc1nnc(COC(=O)c2ccccc2Nc2cccc(C)c2C)o1 32879277 OIHAAUFRZNQZOO-UHFFFAOYSA-N 337.379 4.095 0 40 EIAB CCc1ccc(Nc2ncnc3c2ncn3Cc2ccc(C)cc2)cc1 35681997 DZRAGALICVBBJJ-UHFFFAOYSA-N 343.434 4.489 0 40 EIAB Cc1ccccc1NC(=O)N1CCC(Cn2cnc3ccccc32)CC1 38536060 QCRCJSUTWAYQIM-UHFFFAOYSA-N 348.450 4.289 0 40 EIAB Cc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1 40150638 CJMIWSMWXJFPOV-UHFFFAOYSA-N 330.815 4.039 0 40 EIAB COc1ccc(NC(=O)NCCC2=CCCCC2)cc1OC(F)F 43995554 XXLMEJUSWLSDSL-UHFFFAOYSA-N 340.370 4.309 0 40 EIAB NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 45887319 HKSYVZFIYMKFSM-UHFFFAOYSA-N 338.219 4.457 0 40 EIAB COc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1 55043887 OSDUWIFNRWRJRD-UHFFFAOYSA-N 347.414 4.091 0 40 EIAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)CNc1c(F)cccc1N1CCCC1 69699034 VIILQXWETONDBY-UHFFFAOYSA-N 341.430 4.093 0 40 EIAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC1CCC1 72320769 OVMLHECGHFNLHR-QRWLVFNGSA-N 340.467 4.353 0 40 EIAB biogenic,in-vitro C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(OC(F)F)cc1 78556318 GCAIBUVSDPIQGC-KPWVOAKYSA-N 328.355 4.437 0 40 EIAB Cc1nnc(-c2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)o1 89643354 AQXRKBQIENVARH-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB c1ccc(-n2cnc(CNc3cccc(Oc4ccccn4)c3)n2)cc1 92216069 RGMNVQRUNIXICQ-UHFFFAOYSA-N 343.390 4.067 0 40 EIAB CC(C)CC(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 95461564 JUSHNMWPKVYQOI-FQEVSTJZSA-N 346.515 4.451 0 40 EIAB CC(C)c1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 95472342 AMQXHKIDOSKESL-INIZCTEOSA-N 345.468 4.305 0 40 EIAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccnc1)n2C 96146402 JAXOGTQJEYNICB-UHFFFAOYSA-N 346.434 4.039 0 40 EIAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 100580394 KBSWKXKTLUQVDA-GDIGMMSISA-N 335.403 4.405 0 40 EIAB COC1(OC)[C@@H]2C=C[C@@H]1[C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]12 101044632 BJDCWSGFUAZUJG-KHPKPNQKSA-N 330.427 4.315 0 40 EIAB O=C(Nc1cccc(CSc2ccccn2)c1)c1ccncc1F 126001033 ZLAYIMHOSXLZIV-UHFFFAOYSA-N 339.395 4.160 0 40 EIAB CCOc1ccc(CNC(=O)c2cc3ccccc3o2)cc1OCC 219944954 TWTPHWRYWIUPFZ-UHFFFAOYSA-N 339.391 4.160 0 40 EIAB CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(OC)c(C)c1 223255371 GTVXOTWWEZDARP-IBGZPJMESA-N 341.451 4.430 0 40 EIAB Cc1ccccc1OCCNC(=O)/C(=C/c1ccco1)c1ccccc1 223430006 ZXECAZLARDSAKV-CAPFRKAQSA-N 347.414 4.324 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1F 225394272 BDWNVOKDMQBSJH-INIZCTEOSA-N 343.398 4.175 0 40 EIAB CC[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(OC)c(C)c1 225792730 RJXYODJNBSUWFZ-KRWDZBQOSA-N 347.842 4.303 0 40 EIAB O=C(CCc1nc(-c2cccc(F)c2)no1)NC1CCCCCCC1 225801632 YVNWQFGXKDQFLO-UHFFFAOYSA-N 345.418 4.037 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(C)CCCCC2)c1 225864564 IRWDJYOFVMEBDN-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB Cc1cccc(C2(NC(=S)Nc3ncccc3C)CCCC2)c1 225871894 NKHFXQOVTWRTFI-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCCO[C@]1(C(=O)Nc2cnc(OCC)c(C)c2)CCC[C@@H](C)C1 225911446 ODFOMIZOIGHLKR-AUUYWEPGSA-N 334.460 4.103 0 40 EIAB CC(C)n1nccc1-c1cccc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257200821 AFAVIRCKSTYGEC-KRWDZBQOSA-N 340.471 4.236 0 40 EIAB O=c1cc(CN2CCC[C@@H](c3ccccc3)CC2)c2ccc(O)cc2o1 1653297446 JTOKBISXWOUXQU-QGZVFWFLSA-N 349.430 4.268 0 40 EIAB c1ccc2c(c1)nc(C1CC1)n2C1CN(c2cc(C3CCC3)ncn2)C1 1775970311 AYOMAIZCGODUCY-UHFFFAOYSA-N 345.450 4.033 0 40 EIAB COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 241657 FSSKADJQRJZMSY-UHFFFAOYSA-N 339.416 4.163 0 40 EIAB Cc1ccc(NCc2ccc(OCC(=O)NC(C)(C)C)cc2)cc1C 359913 BZHVMXDBXKLNBV-UHFFFAOYSA-N 340.467 4.209 0 40 EIAB Cc1nc(SCC(=O)Nc2cccc3ccccc23)nc2c1CCC2 582595 VLLDMGKUCFXMRT-UHFFFAOYSA-N 349.459 4.158 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 1617773 NGTXXSPAQKTCOA-UHFFFAOYSA-N 347.798 4.166 0 40 EIAB Cc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 2022097 WINNVZPCKSWFTO-UHFFFAOYSA-N 329.831 4.003 0 40 EIAB Cn1cc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cn1 2767304 NYJSCUCJDZNOFY-UHFFFAOYSA-N 343.839 4.477 0 40 EIAB CCOc1ccc(C(=O)[C@@H](Cc2ccccc2)N2CCCCC2)cc1 3384311 AEGFSIMEYMWKAI-OAQYLSRUSA-N 337.463 4.365 0 40 EIAB Clc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 4056713 HEDWETQQXGZNDG-UHFFFAOYSA-N 329.856 4.276 0 40 EIAB COc1ccccc1-c1nnc(Nc2nc3c(F)cccc3s2)o1 4137694 IYACVKALHBUEKK-UHFFFAOYSA-N 342.355 4.238 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 4813944 SBAGARNROXJDSI-RWSFTLGLSA-N 327.852 4.017 0 40 EIAB CCCCN(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 5026038 JMRPXKKYNKAQDD-UHFFFAOYSA-N 341.842 4.275 0 40 EIAB O=C(Cc1c(F)cccc1Cl)N[C@H]1CCSc2ccccc21 5425664 BSRUNAWPPORSGJ-HNNXBMFYSA-N 335.831 4.375 0 40 EIAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 5903972 YACHTQUDVMUUBC-UHFFFAOYSA-N 340.467 4.298 0 40 EIAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1cccc(F)c1 6927764 IRJHWYZKDSNVDK-UHFFFAOYSA-N 346.361 4.499 0 40 EIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 7227031 OOBPBFCBFZXZSN-UHFFFAOYSA-N 338.407 4.048 0 40 EIAB CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 7408349 HFWURVVRQMXLIR-UHFFFAOYSA-N 338.451 4.085 0 40 EIAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccccc1OC(F)F 7972627 UAFOMNZTCNLDAS-UHFFFAOYSA-N 344.720 4.131 0 40 EIAB Cc1nc(N2C[C@H](C)O[C@@H](C)C2)c2c(-c3ccccc3)csc2n1 8078488 HVGORPLHJIVSKN-STQMWFEESA-N 339.464 4.280 0 40 EIAB CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc21 8131069 SICXNSGIJAQIBB-SOUVJXGZSA-N 345.512 4.326 0 40 EIAB Cc1cc(C(=O)O)ccc1NC(=O)CSc1ccc(Cl)cc1 8391323 PEKGPNMOOJOWIE-UHFFFAOYSA-N 335.812 4.077 0 40 EIAB Cc1ccc(C(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1 8471225 UTFFWTMWQPFYJT-LDJQHZOJSA-N 341.410 4.444 0 40 EIAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9063459 NWBSPKQAVFTXOE-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB CN(Cc1ccccc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 9114390 RXNPMCWQONREOH-MRXNPFEDSA-N 330.428 4.204 0 40 EIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 9691856 SQHHJCXJWKGPON-NSHDSACASA-N 335.762 4.088 0 40 EIAB Cc1nn([C@@H](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1C 12194699 LFVHHSMRXBSAKI-XJKSGUPXSA-N 339.483 4.126 0 40 EIAB CC[C@H](C)C(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233048 YGOGDLVJMSZEGQ-NSHDSACASA-N 327.409 4.450 0 40 EIAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 12527105 JZFPJBUQMPGFEG-JTQLQIEISA-N 342.342 4.100 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)c2cn(C)c3ccccc23)c1 12610068 BYKZIPQVBFJVEV-UHFFFAOYSA-N 338.407 4.228 0 40 EIAB COC1=CC2=CC[C@@H]3[C@@H]4CC[C@]5(CO5)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 12654020 AKWAWNXESMOSLR-JWPBWTMGSA-N 328.452 4.037 0 40 EIAB biogenic Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H]1CCc2ccccc21 12922759 NEMDARSPMGQNQX-SUMWQHHRSA-N 328.843 4.253 0 40 EIAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccsc1 12935324 ONMLNCZBCREQHD-UHFFFAOYSA-N 341.461 4.020 0 40 EIAB O=C(CSc1ccccc1)Nc1ccccc1OC(F)(F)F 13017484 LYAFITDOYOQRLG-UHFFFAOYSA-N 327.327 4.316 0 40 EIAB CCCOc1c(Cl)cc(C(=O)N2CCc3ccccc32)cc1OC 13021976 VFKPMWGBSKNNJB-UHFFFAOYSA-N 345.826 4.340 0 40 EIAB CC(=O)NCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 14168140 VKDITQFVJMMCNA-UHFFFAOYSA-N 326.396 4.252 0 40 EIAB c1cncc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 15016184 AGMJZQSFAMHYAU-QFBILLFUSA-N 333.416 4.385 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2F)cc1 15581504 NGEPVZNJNQXMDG-YFPIXMDGSA-N 325.383 4.211 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1 17976304 APDPTEZNIIDUGX-YSGRDPCXSA-N 347.414 4.489 0 40 EIAB CC[C@@H](CN1CCCC1)n1cncc1-c1cnn(C2CCCCC2)c1 19654567 KUXRKQHFQUHXAI-SFHVURJKSA-N 341.503 4.299 0 40 EIAB CCN(C)[C@H]1CN(C(=O)CCc2ccc(F)cc2)C2(CCCCC2)C1 19704827 ZUSTVTGXLJENDY-LJQANCHMSA-N 346.490 4.014 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1C 20454918 XPLFTEQDJWSNAU-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1OC 20482173 NFFQUWRRUPAZOY-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1Cl 21185354 CWTAIZAISKNOMO-UHFFFAOYSA-N 341.741 4.131 0 40 EIAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc12 21403130 AEHHUPKEONXJIW-LLVKDONJSA-N 343.814 4.491 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 24577872 RKTXNFKANLJIKA-KDOFPFPSSA-N 342.439 4.186 0 40 EIAB CCCn1c(NC(=O)c2cc(-c3ccccc3)on2)nc2ccccc21 28233994 LBFCIOGSEWAPMO-UHFFFAOYSA-N 346.390 4.354 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccc3ccccc3c2)cc1 30446694 UJEDBMKXGNCYEV-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C 32585569 UZPSFGFTVVSVDS-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB COc1ccc(C(=O)N(C)c2nc(-c3ccc(F)cc3)cs2)cc1 34791430 HYDVYSNBYOSIEU-UHFFFAOYSA-N 342.395 4.234 0 40 EIAB Cc1cc2cccc(C)c2nc1SCC(=O)Nc1nccs1 35289534 MJIBUUROERFVRT-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB Cc1nc(NC(=O)COc2ccccc2)sc1Cc1ccccc1 36639420 HJXGLLRHVPPRBV-UHFFFAOYSA-N 338.432 4.060 0 40 EIAB Cc1cc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)no1 40012750 CMDYKMDTBXLBDT-UHFFFAOYSA-N 341.342 4.236 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc(OC)cc1 44883147 GNWCFHJFCHUVFH-RBUKOAKNSA-N 341.451 4.429 0 40 EIAB COc1c(C)cccc1C(=O)Nc1c(C)cc2nc(N)sc2c1C 45889939 QTIGAJQVBUAANH-UHFFFAOYSA-N 341.436 4.065 0 40 EIAB CN(C)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cn1 48262652 HCAFGTUAUSJKHS-KRWDZBQOSA-N 344.434 4.196 0 40 EIAB COC(=O)c1cccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)c1 58305213 MCCWFDOTSQADTK-QGZVFWFLSA-N 343.448 4.196 0 40 EIAB O=C(NCCCOC1CCCCC1)Nc1ccnn1C1CCCCC1 58326943 PEHBFJBEVRVDOE-UHFFFAOYSA-N 348.491 4.249 0 40 EIAB COc1ccc(C2(NC(=O)Nc3ccccc3F)CCCC2)cc1 58440419 QREOIMPQMOIHMV-UHFFFAOYSA-N 328.387 4.425 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H](C)c1nc(C)no1 65610979 PWWSWOINFASEFS-VIFPVBQESA-N 336.823 4.039 0 40 EIAB Cc1noc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 69419826 AJYVXQGNTHQWPN-LBPRGKRZSA-N 338.367 4.053 0 40 EIAB Cc1noc(C)c1CNC(=O)N[C@H](C)c1oc2ccc(F)cc2c1C 69697564 PUCHFXZZZBRVNA-LLVKDONJSA-N 345.374 4.046 0 40 EIAB O=C(CCc1ccsc1)N(Cc1ccccc1)CC1CCOCC1 69807908 JRCSTMZTQWZWGN-UHFFFAOYSA-N 343.492 4.136 0 40 EIAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 71888318 LTZQQLRQULPMAV-FQEVSTJZSA-N 333.435 4.168 0 40 EIAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCCCC1 72216710 KQNIOJSIHMRBHQ-FQEVSTJZSA-N 349.478 4.439 0 40 EIAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(OC(F)F)cc1 78556319 GCAIBUVSDPIQGC-RKFFSXRUSA-N 328.355 4.437 0 40 EIAB COCc1nc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)cs1 83914954 VXMNBJXOQYNEBS-VQIMIIECSA-N 328.481 4.191 0 40 EIAB Cc1csc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1 85474137 QJJRYTCOYCESCT-UHFFFAOYSA-N 347.486 4.341 0 40 EIAB Cc1cc(F)ccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 96012254 LUKAMPQEXFMYSY-UHFFFAOYSA-N 340.442 4.375 0 40 EIAB Cc1ccc2cccc(NC(=O)[C@@]34CC[C@](C)(C(=O)C3)C4(C)C)c2n1 100634993 NCGLJRQRWRTXEP-NHCUHLMSSA-N 336.435 4.267 0 40 EIAB CCOC(=O)c1s/c(=N/c2ccccc2)n(-c2ccccc2)c1C 100840836 WFGIJPBLGHZXHY-FMQUCBEESA-N 338.432 4.256 0 40 EIAB Cc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccco4)C3=C(O)C2)cc1 102581938 YCFGNBLDKQAEFH-LIRRHRJNSA-N 346.390 4.245 0 40 EIAB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102662907 XQGMEKZBGZRBBF-AUUYWEPGSA-N 346.390 4.245 0 40 EIAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1ccccc1Cl 107814926 RVAURQRUCXOZHP-HMMYKYKNSA-N 347.205 4.184 0 40 EIAB O=C(OCc1ccccc1Cl)c1snnc1-c1cccs1 223848071 CVSHYHZHLWIHMU-UHFFFAOYSA-N 336.825 4.277 0 40 EIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(C(C)C)cc2)cc1 224580874 VLMIZYSZMWKRTN-UHFFFAOYSA-N 347.480 4.424 0 40 EIAB O=C(NCCSCc1ccco1)C1(c2ccccc2)CCCC1 224703577 MZYMGEAAWJKCKI-UHFFFAOYSA-N 329.465 4.141 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 225468408 GRINLDSUFRZTJI-CQSZACIVSA-N 342.464 4.138 0 40 EIAB Cc1ccc(C)c(NC(=O)c2snnc2-c2ccc(F)cc2)c1 225777884 RPXRHPMHTWRGOC-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1C 226861704 WIJGOBNNQIHNPO-UHFFFAOYSA-N 337.444 4.356 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@@]12CC[C@H]3CC[C@@H](C[C@@H](C3)C1)C2 245238448 PCLLZZCHYLHGSS-BFMVXSJESA-N 347.524 4.350 0 40 EIAB Cc1cccc(OCc2ccc(C(=O)n3nnc4ccccc43)cc2)c1 409183238 QTNYADNIDCVCJM-UHFFFAOYSA-N 343.386 4.007 0 40 EIAB Cc1nn(CCNC(=O)Nc2ccccc2)c(C)c1-c1ccsc1 575614851 KRKJZYLJDOHJHV-UHFFFAOYSA-N 340.452 4.050 0 40 EIAB Cc1cc(C(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)cc(C)c1F 585126527 BHQRJPOTGYBFAR-INIZCTEOSA-N 349.409 4.015 0 40 EIAB O=C(NCCc1ccc(-c2ccco2)s1)c1c(F)cccc1F 2086896854 OTGPPANWPWHGIM-UHFFFAOYSA-N 333.359 4.259 0 40 EIAB COc1ccccc1N1C(=O)c2ccc(Oc3ccccc3)cc2C1=O 62702 ZGBDXSJQNJJKDF-UHFFFAOYSA-N 345.354 4.288 0 40 EIAB O=C1C(Nc2ccccc2)=C[C@H](c2ccc(O)cc2)N1c1ccccc1 191531 UEOMAONEBCYQBF-OAQYLSRUSA-N 342.398 4.476 0 40 EIAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Cl)cc1 387070 WOKZKWXQLDPSOO-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)o2)cc1 422790 QABHBUAGFPFRNQ-UHFFFAOYSA-N 340.404 4.029 0 40 EIAB O[C@@H](CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12 506754 AVIDNPPGLHHWKD-QFIPXVFZSA-N 334.463 4.156 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 512861 MGKMEWMVLKMKPD-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cc1ccc2cc(CN(C(=O)c3ccccc3)C(C)(C)C)c(=O)[nH]c2c1 522704 AUCVFDXOSGAQND-UHFFFAOYSA-N 348.446 4.277 0 40 EIAB O=C(NC1CCCCC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 548958 MQSYTCFBFGFFHN-UHFFFAOYSA-N 331.847 4.222 0 40 EIAB Cn1nc(-c2ccccc2)c2cc3c(F)c(F)c(F)c(F)c3nc21 1418681 OGOGFSINDUDMPX-UHFFFAOYSA-N 331.272 4.345 0 40 EIAB O=C1c2ccccc2C(=O)N1OCc1ccc(-c2ccccc2)cc1 1588713 JYUSHNFOXUEQIH-UHFFFAOYSA-N 329.355 4.081 0 40 EIAB CCCOc1ccc([C@@H](O)[C@H](c2ccccc2)N2CCCC2)cc1 2250659 ZQANJCYEINMFHT-LEWJYISDSA-N 325.452 4.346 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 3097281 IVFFJUAKHSVYDY-MGPLVRAMSA-N 326.223 4.309 0 40 EIAB CCCC[C@H](CC)C(=O)Nc1ccc(I)cc1 3159621 PEUOCYJGTOJYMW-NSHDSACASA-N 345.224 4.446 0 40 EIAB CCCOc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1 4784076 HDXVMBNSGGLDMY-UHFFFAOYSA-N 347.827 4.386 0 40 EIAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccsc1 4898667 NWSYQIQVPFXTHV-ZDUSSCGKSA-N 337.466 4.013 0 40 EIAB CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 5163343 DVWCRDAAQVJYAI-WMLDXEAASA-N 330.478 4.371 0 40 EIAB S=C(SCc1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1 5286735 SVFLJKJVYZZBOE-UHFFFAOYSA-N 339.873 4.004 0 40 EIAB CCc1cccc(CC)c1NC(=O)COc1cccc2cccnc12 6127961 JISLOWRZUSJDNT-UHFFFAOYSA-N 334.419 4.377 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1nc(Cl)ccc1Cl 6566249 HEIUUHXEJVUTRN-UHFFFAOYSA-N 339.203 4.355 0 40 EIAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 7769637 HPBREBZTGWCVFN-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)Oc1ccc2c(c1)OCO2 8060686 MNPGCCUOMHKOQS-UHFFFAOYSA-N 339.372 4.066 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 8291287 RHRISVMUDIAWAF-INIZCTEOSA-N 336.218 4.392 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 8403088 SHLAOEKSIHQSHQ-UHFFFAOYSA-N 338.451 4.324 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 8479249 ROVHVULPHBBQTA-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(Cl)c1 8496625 XOIFBOXGOIGMCU-UHFFFAOYSA-N 346.843 4.013 0 40 EIAB Cc1cc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)o1 10283803 IDAXBISCSUAJLH-IVKJLDKCSA-N 330.424 4.227 0 40 EIAB CCc1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1 12748143 SPSKVDVNZFUKKV-UHFFFAOYSA-N 338.392 4.128 0 40 EIAB C[C@@H]1[C@H](c2cccc3ccccc23)c2cc3c(cc2O[C@]1(C)O)OCO3 12857440 OKEDHTSICXDDKB-DZKUTHLPSA-N 348.398 4.437 0 40 EIAB CC[C@@H](C(=O)OCc1nc(-c2ccc(C)cc2)no1)c1ccccc1 12863264 GCFPLXQUUNOPGJ-QGZVFWFLSA-N 336.391 4.282 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC(C)C)cc1 14400215 VUAZPEPAUZAVHC-LJQANCHMSA-N 343.423 4.279 0 40 EIAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)Nc1nccs1 16705509 POZNLTHJCDKKEI-AATRIKPKSA-N 331.397 4.058 0 40 EIAB Cc1cc(-c2snnc2[C@@H]2CCCN(CC3CCCCC3)C2)on1 19120728 AWSPLLFRFPXNRZ-OAHLLOKOSA-N 346.500 4.261 0 40 EIAB CCc1c(C(=O)Nc2c(C)cc(C)cc2C)cnn1-c1ccccn1 19910843 INNVYBIHBPYXHK-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB Fc1ccc(CNCCc2c[nH]c3ccccc23)cc1Br 20122516 CLRYECXCYMTXTL-UHFFFAOYSA-N 347.231 4.402 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2cnn(-c3ccccc3)c2)cc1 25810921 DOVKUHZNMNOBDZ-OAQYLSRUSA-N 333.435 4.218 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(C)c1 28683293 HRJVLUFHAFCVSO-CQSZACIVSA-N 343.496 4.244 0 40 EIAB Cc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)o1 31497179 YZNMAMZKMHYYNC-OAHLLOKOSA-N 349.814 4.054 0 40 EIAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1 32765232 MSENKYLWPVVIKK-UHFFFAOYSA-N 338.382 4.029 0 40 EIAB Cn1c([C@@H]2CCCCN2C(=O)NCc2ccccc2)nc2ccccc21 40156441 VRPWFYPNJRRDEZ-IBGZPJMESA-N 348.450 4.010 0 40 EIAB CCOc1ccccc1CNC(=O)CSCc1cccc(Cl)c1 44847719 JDBVEKMEIVGIQA-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB FC(F)(F)c1cc(Cl)c(I)c(Cl)n1 47218579 NYZYDUMELBGQOU-UHFFFAOYSA-N 341.885 4.012 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1C 50490477 YCNKMASHZJDRAX-UHFFFAOYSA-N 349.390 4.274 0 40 EIAB COc1ccccc1NC(=O)CN[C@@H](C)c1cccc2ccccc12 57446631 MQJOMSKCKNFGEW-HNNXBMFYSA-N 334.419 4.138 0 40 EIAB C[C@@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1Cl 58065848 JLQKGBQZKHSTQA-KDOFPFPSSA-N 339.826 4.003 0 40 EIAB CC[C@@H](C)N(C(=O)CCCc1cccs1)c1ccc(C(N)=O)cc1 58157248 WHZAFMQEXQLANH-CQSZACIVSA-N 344.480 4.001 0 40 EIAB Clc1ccc(C2(c3nc(C4CCCC4)no3)CCOCC2)cc1 69974425 IEWYAJZULMHRQU-UHFFFAOYSA-N 332.831 4.477 0 40 EIAB O=C(CCc1ccc(F)cc1)N1CCCC[C@H]1Cc1ccccc1 72280399 MMCJCLLDLLICSB-FQEVSTJZSA-N 325.427 4.382 0 40 EIAB Cn1cccc1[C@H]1CCCCN1c1ncnc2c1oc1ccccc12 72310214 YFYPGFHCXHWTHP-MRXNPFEDSA-N 332.407 4.446 0 40 EIAB Cc1ccccc1CN1CCC[C@@H]1c1nnc(-c2ccsc2)o1 72390169 FFNHGOUBCGPOQO-MRXNPFEDSA-N 325.437 4.444 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2c(F)cccc2Cl)C1 72403744 ODTIVPLIKNIOAQ-NSHDSACASA-N 345.761 4.441 0 40 EIAB CC(C)CO[C@H](C)c1noc(CN2CCC(c3ccccc3)CC2)n1 74980944 SBBNZGZOPZDZIW-MRXNPFEDSA-N 343.471 4.183 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)Cc2ccsc2)s1 75606876 HVGCUVBPTOWEDC-JQWIXIFHSA-N 337.514 4.155 0 40 EIAB CCN(C(=O)N[C@@H](C)c1cc(C)ccc1OC)[C@H](C)c1cccnc1 75613246 FRHAHMYEOZBSST-JKSUJKDBSA-N 341.455 4.252 0 40 EIAB Cc1c(NC(=O)NCc2ccncc2)cccc1OC1CCCC1 78550528 JBSKIGPJMBODRO-UHFFFAOYSA-N 325.412 4.033 0 40 EIAB CC(C)n1cc(CCCC(=O)NCCc2ccncc2)c2ccccc21 79498675 UDYJTDQIHZFMGE-UHFFFAOYSA-N 349.478 4.299 0 40 EIAB Cc1cc(CN2CCC[C@@H]2c2noc(C3CC3)n2)c2ccccc2n1 84083428 XFMXMXBKSOXTBY-GOSISDBHSA-N 334.423 4.141 0 40 EIAB COc1ccc2nc(NC(=O)N(C)Cc3sccc3C)sc2c1 89702024 JZLGJAFXJOWSAH-UHFFFAOYSA-N 347.465 4.339 0 40 EIAB O=C(Nc1cc(F)c(F)cc1Cl)N[C@H]1CCOC2(CCCC2)C1 89762011 PFCKUGROZHTCGR-JTQLQIEISA-N 344.789 4.232 0 40 EIAB Cc1nc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)oc1C 95409037 SJXWMJKZAPVNJE-SFHVURJKSA-N 339.439 4.043 0 40 EIAB CCc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 96318723 VWRBEOHZIMLHTP-UHFFFAOYSA-N 343.858 4.257 0 40 EIAB CC(C)c1ocnc1C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 96407257 VUKJHCSLAHOLAJ-XMMPIXPASA-N 348.468 4.098 0 40 EIAB Cc1cccc(NC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 96420978 IMGHHHSPHABHLK-UHFFFAOYSA-N 333.435 4.193 0 40 EIAB Cc1csc(N(C(=O)c2ccccc2OCC2CC2)C2CC2)n1 96425288 BCQKOVLNPKPQBM-UHFFFAOYSA-N 328.437 4.050 0 40 EIAB Cc1csc([C@@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C2CC2)n1 96437457 XLEKPBZVRZXBJJ-NHYWBVRUSA-N 333.432 4.102 0 40 EIAB CC(C)c1ccc(N2C(=O)/C(=C/c3ccsc3)NC2=S)cc1 105556887 MKPKSXKMFYXEQB-DHDCSXOGSA-N 328.462 4.134 0 40 EIAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 107493891 IRKQIWIKQRNWIM-GVXVVHGQSA-N 340.345 4.039 0 40 EIAB O=C(c1ccc(-c2ccccc2F)o1)N1CCCc2cccc(O)c21 155603764 YBAYDOUBRAVMOX-UHFFFAOYSA-N 337.350 4.384 0 40 EIAB O=C(Cc1noc2ccccc12)N(Cc1ccsc1)c1cccnc1 171353354 PHGBNPXJOLESJO-UHFFFAOYSA-N 349.415 4.060 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 195530176 BCRLLYGESUBULV-ZOBORPQBSA-N 332.469 4.249 0 40 EIAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 218956291 FUVDUYKPKROTDH-SFHVURJKSA-N 339.435 4.046 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(OC(C)C)c2)c1 218966469 PJPNTQKRZBOUJF-UHFFFAOYSA-N 327.424 4.417 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1Cl 223250372 MDYFYEBANWNBKH-LBPRGKRZSA-N 329.827 4.328 0 40 EIAB COc1ccc(C(=O)NC2CC2)cc1COc1ccc(Cl)c(C)c1 224201613 GAEINWIWZPPXLE-UHFFFAOYSA-N 345.826 4.128 0 40 EIAB Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 248028623 PDHRRNVHIMWYKG-PNYFIKQUSA-N 327.468 4.049 0 40 EIAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccc(Cl)cc1 408526996 AJGSXRQBOORQLB-IZZDOVSWSA-N 335.794 4.449 0 40 EIAB O=C(N=c1cc[nH]cc1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 504161859 HMBDDEWPJHIQCC-QGZVFWFLSA-N 329.831 4.306 0 40 EIAB COc1ccc(Nc2cc(C3CCOCC3)nc(C)n2)cc1Cl 1888879450 BFRIJNHTFSCLMA-UHFFFAOYSA-N 333.819 4.085 0 40 EIAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 364218 CGYJAPKDNYDGIP-AWEZNQCLSA-N 325.408 4.356 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1 2436019 FIYRJZMYQPMPPH-UHFFFAOYSA-N 335.350 4.429 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1C(F)(F)F 3433137 LNYAIAUNOJRBKM-UHFFFAOYSA-N 347.292 4.226 0 40 EIAB COc1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3611747 QFICBGZMOLYDKZ-UHFFFAOYSA-N 337.778 4.285 0 40 EIAB COc1ccc(C(O)(c2ccc(OC)cc2)c2cccc(C)c2)cc1 4255584 CVEOHCDYVDNANP-UHFFFAOYSA-N 334.415 4.296 0 40 EIAB CCOC(OCC)c1cc(Cl)nc(SCc2ccccc2)n1 4287757 YMOJKACWKSCUGA-UHFFFAOYSA-N 338.860 4.494 0 40 EIAB Cc1noc(C)c1CSc1nnc(C2CC2)n1-c1ccccc1 4890096 ASALNKLUHYDFOV-UHFFFAOYSA-N 326.425 4.042 0 40 EIAB CCOP(=O)(Nc1ccc2c(c1)[C@H](O)c1ccccc1-2)OCC 4946029 PTPBECGSPXWTBF-QGZVFWFLSA-N 333.324 4.342 0 40 EIAB O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1F 5033568 VAXDVNNPPBDVCH-UHFFFAOYSA-N 336.775 4.351 0 40 EIAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 5094061 JFSBBWZBQIMJGO-HXUWFJFHSA-N 347.462 4.042 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 5373831 KCOYRRZFZNBZRJ-UHFFFAOYSA-N 348.446 4.245 0 40 EIAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccccc1Cl 5421707 UHWZQVYHJAQSPH-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB Cc1ccc2ccccc2c1CSc1nnnn1-c1ccccc1 5547860 SKXUXAAFFMJGGB-UHFFFAOYSA-N 332.432 4.416 0 40 EIAB COc1cc(NC(=O)c2ccc3ccccc3c2)cc(OC)c1OC 5577490 CVEIEBOERNEHGJ-UHFFFAOYSA-N 337.375 4.118 0 40 EIAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 6356067 YSBWPYOHMLOJIM-LNLFQRSKSA-N 327.468 4.291 0 40 EIAB Cn1c(CN2c3ccccc3Sc3ccccc32)n[nH]c1=S 7040724 HZPBGXZSFIVKCO-UHFFFAOYSA-N 326.450 4.281 0 40 EIAB CC(C)c1ccc(NC(=S)NCC2(N(C)C)CCCCC2)cc1 7583673 FZDSKEVKJGVORD-UHFFFAOYSA-N 333.545 4.361 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 8246851 CGWKJYPXCKEVJT-UHFFFAOYSA-N 345.855 4.168 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(Br)s1 8276390 FRRAYDLVDBPFGJ-ODTCBASBSA-N 328.275 4.219 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 8286804 OGGGVKQOYLKPCI-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N(C)C)ncnc32)c1 8415055 ZNQWJAZCAZYCPJ-UHFFFAOYSA-N 328.419 4.462 0 40 EIAB C[C@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1cccc(Cl)c1 8532154 OTBGQMDBMGVHNO-LLVKDONJSA-N 338.785 4.077 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)no1 8612349 QORRTNNTOVDQHP-UHFFFAOYSA-N 328.755 4.013 0 40 EIAB aggregator Cc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11114277 YENPXCPFORYQSZ-FQEVSTJZSA-N 336.460 4.374 0 40 EIAB Cc1ccc(CN(C(=O)COc2ccccc2C)c2ccccn2)cc1 11915876 ZJXRXMCEFPZTBA-UHFFFAOYSA-N 346.430 4.311 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1F 12987143 QRUQVOQMRBFERJ-UHFFFAOYSA-N 325.383 4.224 0 40 EIAB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)C1(c2ccccc2)CCCC1 13465422 TVSLBGTUONIWBK-ICSRJNTNSA-N 341.495 4.306 0 40 EIAB biogenic O=C(CCc1c[nH]c2ccccc12)Oc1ccccc1Br 14393430 KWOZXYCYEZXSQR-UHFFFAOYSA-N 344.208 4.469 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1 14495414 HLGPRNJXXFJEPN-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB FC(F)n1c(CSc2nnc(-c3ccc[nH]3)o2)nc2ccccc21 14902970 YYTURYSFXFRFLN-UHFFFAOYSA-N 347.350 4.102 0 40 EIAB CCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1OCC 17297626 VGLHPMOISDUROA-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB Cc1sc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1C 17478681 LXSSWNPIOPOJMH-UHFFFAOYSA-N 338.354 4.142 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20040354 KVHMEJQZQCQZAL-MRXNPFEDSA-N 327.424 4.335 0 40 EIAB CN(CCOc1ccccc1)C(=O)Cc1coc2cc3c(cc12)CCC3 21224064 OSWALNWPAPUPNB-UHFFFAOYSA-N 349.430 4.001 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(-c2cccs2)on1 32339111 XNPQKAILPNWREP-GFCCVEGCSA-N 342.445 4.370 0 40 EIAB O=C(CCCSc1nccc(C(F)(F)F)n1)c1ccc(F)cc1 32903546 FOVKPFKBNOOAPZ-UHFFFAOYSA-N 344.333 4.390 0 40 EIAB O=C1C[C@@H](c2ccsc2)c2snc(-c3ccc(F)cc3)c2N1 35324575 RZZTWXDAEPFCHI-LBPRGKRZSA-N 330.409 4.485 0 40 EIAB COc1cc(CNc2ccccc2C)cc(Br)c1OC 36815620 HQNJHUBYGBPEAN-UHFFFAOYSA-N 336.229 4.387 0 40 EIAB COc1ccc(NC(=S)Nc2ccc3nc(C)sc3c2)cc1 48041993 FPEAIIKPYDZJGF-UHFFFAOYSA-N 329.450 4.422 0 40 EIAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(-n2cccn2)c1 58181092 LWXMFBJSBTZXDS-UHFFFAOYSA-N 349.459 4.092 0 40 EIAB CC(C)C[C@H](NC(=O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 60367765 FSONITRSWBUOPV-INIZCTEOSA-N 344.421 4.249 0 40 EIAB CC(=O)c1c(C)nc(C)nc1SCc1ncc(-c2cccs2)o1 67429225 HCKCXGZCFPYEGK-UHFFFAOYSA-N 345.449 4.305 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1scnc1-c1ccc(F)cc1 69701773 OTJPRELEOPTYKL-UHFFFAOYSA-N 345.399 4.125 0 40 EIAB O=C1N=C(Nc2ccccc2)/C(=C/c2cccc3nccnc23)S1 71285451 YNYVUPLSNJSCIR-PTNGSMBKSA-N 332.388 4.348 0 40 EIAB COc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c(C)n1 72218106 PRWPVNWBDRLVMO-SFHVURJKSA-N 340.423 4.262 0 40 EIAB Cc1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)c(C)c1 72229507 WMQIBEAYJBTAOC-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB CC(C)Oc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)cc1 73924080 WXZZWUPCXLOSMK-RTBURBONSA-N 341.426 4.075 0 40 EIAB Clc1ccc(C2(NCc3nc4ccccc4o3)CCOCC2)cc1 78665137 HLXCFXCYKLCKDT-UHFFFAOYSA-N 342.826 4.277 0 40 EIAB CSc1ccc(CN(C)[C@@H](C)c2nc(-c3cccnc3)no2)cc1 79090581 CSXYOBJXAWLZHL-ZDUSSCGKSA-N 340.452 4.047 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCC[C@H]1CC1CCCCC1 84012021 PNAHIPGIRDHQFD-KDOFPFPSSA-N 346.519 4.242 0 40 EIAB COCCn1ccc2cc(C(=O)Nc3ccc4cc[nH]c4c3)ccc21 85876531 HTSXVWIEXPENKQ-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB biogenic COC(=O)Nc1cccc(NCc2cn[nH]c2-c2cccc(C)c2)c1 89678000 ZCTDIVFVIWBESQ-UHFFFAOYSA-N 336.395 4.176 0 40 EIAB c1ccc(OCCn2ccnc2)c(NCc2cccc3[nH]ccc23)c1 95428814 PUERTAQKAMBJBV-UHFFFAOYSA-N 332.407 4.056 0 40 EIAB O=C(CCc1ccsc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 97016161 XKHONGJIJBRHRW-IAGOWNOFSA-N 347.480 4.169 0 40 EIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 97022856 LLPUDYGWRZJCLD-SJKOYZFVSA-N 329.419 4.023 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3cccs3)nnc12 100265527 OAWOUVDHUZTGIK-BTDLBPIBSA-N 345.493 4.083 0 40 EIAB Fc1cccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c1 101322345 INQNHZYRYKKPDY-MRXNPFEDSA-N 326.762 4.127 0 40 EIAB Cc1cc2oc(=O)cc(CN[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2cc1C 103414891 SVPQALSVIUZZSG-CVYDXHPNSA-N 325.452 4.324 0 40 EIAB COc1ccc2oc([C@H](C)NC(=O)Nc3ccncc3)c(C)c2c1 106501341 FBOYAGBRKKNXKS-LBPRGKRZSA-N 325.368 4.028 0 40 EIAB CC(C)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 218960065 BQBHJWCVUDBGFV-QGZVFWFLSA-N 325.452 4.326 0 40 EIAB O=C(OCc1cccc(Cl)c1)c1snnc1-c1ccc(F)cc1 223842921 KBJCHDPQIJMBCX-UHFFFAOYSA-N 348.786 4.355 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccc(Cl)cc1 224450330 DEBAHCLIBMAVFJ-LJQANCHMSA-N 345.870 4.473 0 40 EIAB CCOc1ccc(CCCNC(=O)c2cc(C)ccc2C)cc1OC 225052546 GPHALBFRULKWNM-UHFFFAOYSA-N 341.451 4.073 0 40 EIAB Cc1cc(C)cc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1 225093859 HPQBAELBXANIIW-INIZCTEOSA-N 338.325 4.397 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225644698 GDOAYVIRRPSYPV-UHFFFAOYSA-N 338.451 4.394 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 225762360 QUYFURZHMRLXIC-UHFFFAOYSA-N 342.395 4.296 0 40 EIAB CCN(C(=O)c1c(-c2ccccc2)noc1[C@H](C)O)C1CCCCC1 253405130 RUTJPPLGXAPCSB-AWEZNQCLSA-N 342.439 4.190 0 40 EIAB biogenic,in-vitro CCCN(CCC)C[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531598 DSDLSTPXWGGGJD-DOADOZAASA-N 325.537 4.091 0 40 EIAB O=C(O)[C@@H]1CN[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 408979533 RIVJCCRNXUMKCC-STQMWFEESA-N 344.219 4.042 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc2c1 409186440 CAFHZRBUSYHAJP-UHFFFAOYSA-N 345.738 4.045 0 40 EIAB CC(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(C)c(C)c2)n1C 409204697 IKKUDHWBSPQXCT-MRCUWXFGSA-N 336.460 4.485 0 40 EIAB O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cc2ccccc2c(O)n1 577928694 BDQMQGMZXFIMET-AEFFLSMTSA-N 346.430 4.397 0 40 EIAB C[C@H](c1ccccc1)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]21 1857793337 UUSBFMLVGPMZAK-NJAFHUGGSA-N 330.472 4.079 0 40 EIAB C[C@H]1CCc2c(sc3ncn4c(CCc5ccccc5)nnc4c23)C1 98659 SVGHOZOHFYXKOE-ZDUSSCGKSA-N 348.475 4.249 0 40 EIAB C[C@H]1CCCN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1 509363 AICUOFFLXFLZMX-JTQLQIEISA-N 345.244 4.110 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1)c1ccc(F)cc1 1370197 MUQWRCUHTOKYPG-PMACEKPBSA-N 344.474 4.274 0 40 EIAB Fc1ccc(N2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 3207571 MGNBEMVWJYOMTH-UHFFFAOYSA-N 331.394 4.193 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)cc1 3245832 PVTIAUFXFPBHAD-CYBMUJFWSA-N 337.448 4.312 0 40 EIAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 3363906 LPCDCXXZBXDSGG-UHFFFAOYSA-N 344.842 4.003 0 40 EIAB C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@H]12 3881630 AOYBIWCQSGSYJF-SLHNCBLASA-N 328.452 4.037 0 40 EIAB biogenic O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 4979373 RTPMXBYLEYXEOX-UHFFFAOYSA-N 338.403 4.375 0 40 EIAB O=C(O)c1ccc2ncc(C(=O)O)c(Nc3cccc(Cl)c3)c2c1 5610184 XKIHOIBWGOLMNZ-UHFFFAOYSA-N 342.738 4.028 0 40 EIAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 6110553 BNTDOYVHSZCPGO-UHFFFAOYSA-N 343.386 4.285 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1C 6804386 MQFJMRWILGXGNX-UHFFFAOYSA-N 346.430 4.311 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccccc3C)c3cnn(C)c3n2)cc1 7448535 MRUQHBNEJNPCAY-UHFFFAOYSA-N 344.422 4.467 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1sc(-c2ccccn2)nc1C 8122924 DBMGVFITFUMCNV-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156159 LTLNYGIJNZDMCU-GFCCVEGCSA-N 349.839 4.150 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 8685350 KPNQPWXTWORWDM-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 8748114 VAGKXJVCZCFOAO-INIZCTEOSA-N 342.508 4.484 0 40 EIAB Cc1ccc2cccc(O[C@H](C)C(=O)NC3CCCCCC3)c2n1 9220841 XBNXGJQTWLWGIH-OAHLLOKOSA-N 326.440 4.150 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccs1 9494398 SNNFOLUMAVMYIV-LJQANCHMSA-N 340.448 4.191 0 40 EIAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)Nc2ccccc2)N1C 9515112 YHOSFZRLTVBOJA-AWEZNQCLSA-N 337.448 4.351 0 40 EIAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccs2)cc1 9547098 PTQXJMFELOQGJK-CQSZACIVSA-N 339.420 4.374 0 40 EIAB COc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1 10311714 XCGGBKBZBTZEBQ-ZHACJKMWSA-N 334.404 4.032 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)c3cc(C)no3)n2)c1C 10941211 LQLIZPFGSVQDCX-UHFFFAOYSA-N 344.440 4.187 0 40 EIAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(N(C)C)cc1 12521730 BXFRPGHTTCLPPM-UHFFFAOYSA-N 337.250 4.332 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1csc(-c2ccsc2)n1 12886003 YPPWPWSVZIAUSL-AWEZNQCLSA-N 326.446 4.289 0 40 EIAB Cc1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1 12895882 AXVIPNBAXHUMCX-UHFFFAOYSA-N 346.833 4.391 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)cc2C)cc1 15577760 VTRPUSFWCSLZMF-IBGZPJMESA-N 339.435 4.055 0 40 EIAB Cc1ccc(-c2nc(CNC(=O)c3ccc(F)cc3)cs2)cc1 15832479 OQWXEWMCLKDJKV-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB CCOC(=O)c1ccc(NC(=S)N(C)[C@@H](C)c2cccs2)cc1 17456036 GWTXMMUPCVEGTE-LBPRGKRZSA-N 348.493 4.315 0 40 EIAB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)no2)c(OC)c1 19120279 VHRBOVHKOMCDHD-QGZVFWFLSA-N 330.428 4.118 0 40 EIAB Fc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1F 19346905 RGAIAOHIKMADSY-HNNXBMFYSA-N 327.378 4.221 0 40 EIAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1C 19736753 SKFVGSIPDTWVLB-DZGCQCFKSA-N 326.440 4.497 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCc1ccccc1 20105300 FMAPHGFPFGFYTI-QGZVFWFLSA-N 325.452 4.326 0 40 EIAB COCc1cccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 22257412 BOYVQSDYVJHUBA-AWEZNQCLSA-N 327.449 4.364 0 40 EIAB C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccncc1 22622101 GSEKZCFKNWJIHK-JTQLQIEISA-N 326.343 4.185 0 40 EIAB COc1ccc2nc(NC(=O)[C@@H](C)Sc3ccccc3)sc2c1 24761121 FBAQITGABRXQMN-LLVKDONJSA-N 344.461 4.424 0 40 EIAB Cc1cccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1C 28683205 ARKKMJGADOKCGN-CYBMUJFWSA-N 343.496 4.244 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1ccccc1OCc1ccncc1 32064198 RYRJEVIWSGQGNG-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB C[C@H](CNC(=O)c1ccccc1OCc1ccncc1)c1ccccc1 32084255 SSVAIBSRBMJUPT-QGZVFWFLSA-N 346.430 4.194 0 40 EIAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1csc(-c2ccccc2)n1 38490052 FMXUKFAWBMKQSQ-UHFFFAOYSA-N 346.415 4.453 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 38853504 CTRSUBFMVLUQNM-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 43485878 WILGXBXVSPXPEI-ZDUSSCGKSA-N 345.393 4.448 0 40 EIAB Cc1ccc([C@H](C)NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)o1 43720380 LWCCSFZLLTWRBO-GJZGRUSLSA-N 348.468 4.101 0 40 EIAB COc1cccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 44883415 XFTCENUINHLHHY-UZLBHIALSA-N 341.451 4.366 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2ncc(C(C)(C)C)o2)cc1OC 48290984 BVUXYJWDWMQBBT-OAHLLOKOSA-N 344.455 4.326 0 40 EIAB O=C(Nc1nnc(C(F)F)s1)c1sccc1-c1ccccc1 58151882 FDVLLJKOHIBCBR-UHFFFAOYSA-N 337.376 4.457 0 40 EIAB Cc1nc(COc2ccc(CNc3ccc4c(c3)CCC4)cc2)no1 63522517 BWAIAACEWHNRTR-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB O=C(CSc1ccccc1)N[C@@H](c1ccccc1)c1ccncc1 69324148 PSTHUCYZGIGPQP-FQEVSTJZSA-N 334.444 4.080 0 40 EIAB Cc1noc([C@H](C)NC(=O)Nc2ccccc2Oc2ccccc2)n1 69379635 OBWVEQHZWGNUIR-LBPRGKRZSA-N 338.367 4.053 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215951 QQFVQMPFKOKNQK-INIZCTEOSA-N 331.460 4.144 0 40 EIAB Cc1cc2c(cc1C)[C@H](N(C(=O)CCOC(C)C)C1CC1)CCCO2 76093395 UELICCNBOJQZPH-LJQANCHMSA-N 345.483 4.323 0 40 EIAB C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)c1cnc2ccccc2c1 79075390 DCJKEEOLDIIVNC-GFCCVEGCSA-N 327.330 4.360 0 40 EIAB CC(C)c1nnc(CCC(=O)N2CC(C)(C)Sc3ccccc32)o1 88240686 KJRWGCUQGVZXRW-UHFFFAOYSA-N 345.468 4.043 0 40 EIAB N[C@H](c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl 95079915 VVBJXQJIAVQARJ-GOSISDBHSA-N 346.821 4.393 0 40 EIAB O=[S@@](Cc1cccc(Cl)c1)Cc1csc([C@H]2CCCO2)n1 95442867 IPAQWOLVPFCIHC-SPLOXXLWSA-N 341.885 4.097 0 40 EIAB CC[C@](C)(NC(=O)Nc1cccc([C@@H](C)OC)c1)c1nccs1 96418039 UYUPUGMTHBVDGR-PXAZEXFGSA-N 333.457 4.297 0 40 EIAB C[C@H](Nc1ccc(CN2CCCC2)cc1)c1ccc([S@](C)=O)cc1 97037127 JJCCIMQMVZPTNK-UPCLLVRISA-N 342.508 4.193 0 40 EIAB O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCOc2ccccc21 98113369 GHCRUFOJTXFMJU-UHFFFAOYSA-N 346.386 4.258 0 40 EIAB Cc1cc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)o1 127589734 VZTGMAFFVRKRBC-FNHZYXHNSA-N 342.439 4.177 0 40 EIAB CO[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1Cl 128259767 WTAUADSINRHXLV-QGZVFWFLSA-N 347.817 4.015 0 40 EIAB O=Cc1cn(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 216748648 RXZQXORZISEWNH-UHFFFAOYSA-N 348.185 4.480 0 40 EIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219957325 QHDVAFGUFRRBJO-SFHVURJKSA-N 339.435 4.426 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1sccc1C 222948443 CKFBTKVNCPWKNV-LSDHHAIUSA-N 331.510 4.224 0 40 EIAB CCOc1cc(C(=O)NCCCc2ccccc2F)cc2occc12 223270588 NWSOEVZKUYGMFR-UHFFFAOYSA-N 341.382 4.333 0 40 EIAB Cc1ccc(OCCNC(=O)[C@H](C)SCc2ccccc2)c(C)c1 223412723 OGZPSHRYRPKQQJ-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CSc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1 223734245 FEGHYYUXDICWRM-UHFFFAOYSA-N 349.521 4.185 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1ccccc1Cl 224131111 JAIASOPFLPGVRP-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)COc1cccc2c1CCCC2 225008844 KNMNCWSBCUYOHJ-KRWDZBQOSA-N 337.463 4.082 0 40 EIAB CN(C)[C@@H](C(=O)Nc1ccc2c3c(cccc13)CC2)c1ccccc1 225200614 ATVKCZHUBRWBBY-OAQYLSRUSA-N 330.431 4.180 0 40 EIAB CO[C@@H](CNC(=O)c1ccccc1Cl)c1ccc(Cl)s1 225700933 BHWRQEASUIINKU-NSHDSACASA-N 330.236 4.172 0 40 EIAB CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCC1 225829460 FZHCWLZCKPRFRP-UHFFFAOYSA-N 345.361 4.392 0 40 EIAB COc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cn1 225874761 LQPQKFJEJCZCNX-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB COc1cccnc1NC(=S)NC1(c2ccccc2C)CCCC1 225875206 UCBDBMVJRGMOQJ-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2O)S1 408796153 DTSKDWFSKFHIDR-UHFFFAOYSA-N 345.831 4.117 0 40 EIAB CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409100432 NGBJTFDUSQZNNT-LFIBNONCSA-N 326.421 4.150 0 40 EIAB COc1cccc([C@@H](C)NC(=O)Nc2ccc3ncsc3c2)c1 521442033 OITGMGHUNBVYRP-LLVKDONJSA-N 327.409 4.188 0 40 EIAB Cc1ccc2nccc(N3CC[C@@H](OCc4csc(C)n4)C3)c2c1 585083266 JSTOOHDCSMVOSP-MRXNPFEDSA-N 339.464 4.104 0 40 EIAB COC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 585125945 JGLMKMFSWSZIIQ-ORAYPTAESA-N 347.842 4.033 0 40 EIAB Cc1c[nH]c2ccc(NC(=O)N3C[C@@H](C)OC4(CCCCC4)C3)cc12 952885670 TZAJYQRMYDNDSW-OAHLLOKOSA-N 341.455 4.432 0 40 EIAB C[C@H](O)c1cnc(CNC2(c3cccc(Cl)c3)CCCC2)s1 1614997957 FLDLIYJJJKFIII-LBPRGKRZSA-N 336.888 4.409 0 40 EIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12 120991 WIWTURDIRZFYBL-UHFFFAOYSA-N 330.361 4.199 0 40 EIAB biogenic Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)o2)cc1 422893 HIKKJJRCQYBFQB-ZDUSSCGKSA-N 339.420 4.164 0 40 EIAB c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1 442667 UWQNTLVHUVARDK-UHFFFAOYSA-N 326.403 4.346 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)oc2c1 557728 IWMDPLKUMKBNMX-UHFFFAOYSA-N 345.358 4.192 0 40 EIAB Cc1cccn2c(NC[C@H]3CCCO3)c(-c3ccc(F)cc3)nc12 904161 PWHUGWXMODROND-MRXNPFEDSA-N 325.387 4.040 0 40 EIAB CCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 2601787 REVYVAXBRVQJMR-UHFFFAOYSA-N 341.480 4.261 0 40 EIAB Cc1ccccc1OCCSc1nnc(-c2ccccc2C)n1C 2616604 KPUAJGVGHKTTRY-UHFFFAOYSA-N 339.464 4.270 0 40 EIAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 4354897 LVLTWXBDJJNVNL-UHFFFAOYSA-N 329.407 4.044 0 40 EIAB O=C(Nc1ccc(Br)cc1)C1C2CC3CC(C2)CC1C3 4592057 XXRSEIQPRXNTLX-UHFFFAOYSA-N 334.257 4.460 0 40 EIAB COc1ccc2sc(/C=C/c3oc4ccccc4c3O)[n+](C)c2c1 4838696 FQPPZIAKRQRGSZ-UHFFFAOYSA-O 338.408 4.357 0 40 EIAB CCCOc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 5607356 QSDBWMZQTKLGEW-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 6508066 YILMSOSNBRMZDD-JTQLQIEISA-N 334.769 4.029 0 40 EIAB Cc1nc(NC[C@H](c2ccccc2)N(C)C)c2c(C)c(C)sc2n1 6598425 UYCURXFNUKLQAE-MRXNPFEDSA-N 340.496 4.331 0 40 EIAB Cc1cc(C)c2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 6811312 RHNQRZVEEMRAQQ-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1C 7070480 DLGIJKLOGBPELV-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 7402808 OWIYSDLOACZWHB-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 7602312 GKUUVHQFJRLZKN-UHFFFAOYSA-N 338.795 4.045 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC 8040803 XJUISJHLOFITCX-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB CC[C@H](C)NCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 8326716 KYAZAVCFDKWATR-ZDUSSCGKSA-N 334.847 4.211 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 9063092 PNMSUJLLMMHXIV-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB COc1ccc(Cc2cnc(NC(=O)c3cc(C)oc3C)s2)cc1 9910700 BCAWXQCEYFICNW-UHFFFAOYSA-N 342.420 4.205 0 40 EIAB Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)n1 10431159 LTZJJOJFKICYGB-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(Br)cc1F 11750475 ZXALEHYFOGVYEB-UHFFFAOYSA-N 348.215 4.050 0 40 EIAB CCOc1ccc2nc3c(cc2c1)CN(C1CCCCC1)C(=O)O3 12222202 URDJJPYBXVBPAM-UHFFFAOYSA-N 326.396 4.281 0 40 EIAB Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H](C2CCCCC2)C1 12290719 GQTCHMQOIJRJQX-KRWDZBQOSA-N 339.439 4.087 0 40 EIAB Cc1c(C)n(C[C@@H](O)CNC2CCCCC2)c2c(Cl)cccc12 12421930 PXXYMIAEVQQRMR-INIZCTEOSA-N 334.891 4.195 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccccc1 12852737 PFGUTWDELKVCTA-UHFFFAOYSA-N 334.423 4.153 0 40 EIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cccc(Cl)c1 12987365 SNSXTQMXXLHJJI-SFHVURJKSA-N 343.858 4.299 0 40 EIAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)c1 13670471 XEPSLTYKNVGJDE-CQSZACIVSA-N 337.872 4.137 0 40 EIAB COc1ccc(C[C@@H](NCc2ccncc2)c2ccc(OC)cc2)cc1 17317786 DKDDJOYZJOXQBO-JOCHJYFZSA-N 348.446 4.172 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)c1 18182101 MHNBDKKLXKAVGU-LLVKDONJSA-N 334.803 4.240 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Cl)cc2)c1 18182102 MHNBDKKLXKAVGU-NSHDSACASA-N 334.803 4.240 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C)cc1 20040892 DQOGQKLGIKPHLS-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB CCCCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2C)c1 20141524 WGGWJSVRFTVGQQ-UHFFFAOYSA-N 327.380 4.124 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 20483744 IPCDGBLLNKAVKW-GFCCVEGCSA-N 335.856 4.318 0 40 EIAB CNc1snc(C)c1C(=O)N(C)Cc1cccc(Cl)c1Cl 27401463 ULIXKRPOIHWJFM-UHFFFAOYSA-N 344.267 4.072 0 40 EIAB COc1ccc2cc(CN[C@@H](CN(C)C)c3ccccc3)ccc2c1 28316799 CJPOUODQWCFDSQ-QFIPXVFZSA-N 334.463 4.241 0 40 EIAB CCOc1ncccc1CNC(=O)c1ccccc1-c1ccccc1 30308341 INYMCOXIIYEYTF-UHFFFAOYSA-N 332.403 4.077 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 30862408 GBUZGNZPDBICFY-DLBZAZTESA-N 341.451 4.347 0 40 EIAB CC(C)CCC[C@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 32784569 SHVZZEAWVVREKE-INIZCTEOSA-N 330.472 4.148 0 40 EIAB Cc1csc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n1 32882215 MWKSKHRQDNSKFL-UHFFFAOYSA-N 342.464 4.488 0 40 EIAB CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 33677642 XFVBXGFXBJIZTO-UHFFFAOYSA-N 331.824 4.318 0 40 EIAB Cc1cccc(NC(=O)c2ccc(CSc3ncccn3)cc2)c1 36646440 MSDOARNPZIXODT-UHFFFAOYSA-N 335.432 4.330 0 40 EIAB CC(C)C[C@H](NC(=O)COCCOc1ccccc1)c1cccs1 40157316 QNOJRRTWEQGULN-KRWDZBQOSA-N 347.480 4.047 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C 41095355 BBJDCDTVEBBBTM-RHSMWYFYSA-N 339.501 4.031 0 40 EIAB CCOC(=O)CCCCCC(=O)c1ccc(CN2CCCCC2)cc1 43210880 KJMIEQBDETXVBG-UHFFFAOYSA-N 345.483 4.369 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2cccc(O)c2)SC1 44900729 SXZPAGFUDRPOBW-QGZVFWFLSA-N 337.404 4.002 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CCSc2ccccc2)cc1 44949424 OIMNJDVUSLYNBB-UHFFFAOYSA-N 329.465 4.272 0 40 EIAB Cc1csc(CCNc2nc(-c3ccncc3)nc3ccccc23)n1 45726282 AMIMDTXQJBNJSN-UHFFFAOYSA-N 347.447 4.111 0 40 EIAB c1ccc2c(c1)CCC[C@@H]2Sc1nnc(NC[C@@H]2CCCO2)s1 48273410 MIBSRCZVMLXRHG-ZFWWWQNUSA-N 347.509 4.299 0 40 EIAB Cc1cccc2c(=O)[nH]c(CN[C@@H](C)c3ccc4ccccc4c3)nc12 49609457 MDPQYJCHDUETOF-HNNXBMFYSA-N 343.430 4.236 0 40 EIAB CCOc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 51515846 SOSZDKRSMPDTQW-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB CCCc1noc(CN(Cc2ccccc2C(F)(F)F)C2CC2)n1 52045724 YWBVHVOTKFFJJC-UHFFFAOYSA-N 339.361 4.206 0 40 EIAB C[C@H](O)c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1 58218240 NBDQMYGULCORPB-NSHDSACASA-N 338.329 4.080 0 40 EIAB COc1ccccc1-c1nc(-c2cc(C(=O)N(C)C)cs2)cs1 58281890 XPXVAHDVJLXICG-UHFFFAOYSA-N 344.461 4.249 0 40 EIAB Cc1ccc(C)n1C1CCN(Cc2nc(-c3cccs3)no2)CC1 58434671 LGGRDQSVVQZPPO-UHFFFAOYSA-N 342.468 4.054 0 40 EIAB COC[C@H](C)c1nc(-c2ccc(CC[C@H](C)NC(C)=O)cc2)cs1 65495881 GTCWJPYXSCSJJM-KBPBESRZSA-N 346.496 4.017 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2nc(C)cs2)c1 69594146 UMTZWKZUJUYXIS-CQSZACIVSA-N 345.468 4.009 0 40 EIAB Cc1cc(C(=O)N[C@H](C)c2nc(-c3cccnc3)cs2)c(C)s1 69744200 IKNRYJRLAOFBEI-LLVKDONJSA-N 343.477 4.374 0 40 EIAB CC[C@@H](C)[C@@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 69778611 OVBBZOHPPPOFAZ-ZIAGYGMSSA-N 345.443 4.074 0 40 EIAB Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)C(C)C 71908525 QPSQIKPCEBJCMI-SFHVURJKSA-N 335.407 4.172 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1sccc1OC(F)F 72272592 LUUWCWSUSZWIJM-UHFFFAOYSA-N 336.319 4.257 0 40 EIAB CCc1nc2cc(NC(=O)Cc3coc(-c4ccccc4)n3)ccc2o1 83830562 CMOBMKIEAAUMAE-UHFFFAOYSA-N 347.374 4.226 0 40 EIAB C[C@@H](O)C[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 89894872 WIZQZZDDCSAAPU-APWZRJJASA-N 349.430 4.231 0 40 EIAB CCO[C@H](C)c1nc(COc2ccccc2OC(F)F)cs1 95399068 MTIFEGGMWLTFHU-SNVBAGLBSA-N 329.368 4.421 0 40 EIAB Cc1cc([C@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 95419432 OOGUYISZOWZHQH-KGLIPLIRSA-N 326.469 4.357 0 40 EIAB CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cc(F)ccc2F)CCO1 95465795 JMBQOVQXTUNXCD-BBRMVZONSA-N 326.387 4.070 0 40 EIAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 216443328 AXYZCHPZFSXCRQ-QGZVFWFLSA-N 337.872 4.406 0 40 EIAB O=c1c2ccccc2cnn1-c1nc2c(Cl)c(Cl)ccc2s1 216736440 QTJWTKMMLZQRJK-UHFFFAOYSA-N 348.214 4.302 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222579335 PKXKSKZHKBFBLA-UHFFFAOYSA-N 335.382 4.460 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223217590 ZCPOTPLXBNXUCN-KBPBESRZSA-N 343.854 4.473 0 40 EIAB Cc1cc(C)cc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)c1 225065768 SJBYILIRTBUPRS-INIZCTEOSA-N 349.224 4.141 0 40 EIAB CCOc1ccccc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225104688 PIEDWPZGHIQFAG-LJQANCHMSA-N 328.408 4.283 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2ccccc2Cl)cc1 225762011 UQSLCYDXAOOWBE-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CSc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 226041694 BQXJQTWHDQTJAP-UHFFFAOYSA-N 345.807 4.421 0 40 EIAB Cn1cc(CN(Cc2ccccc2)[C@H]2CCCC[C@H]2O)c2ccccc21 248136329 OUXWLMCCCZTPEC-XZOQPEGZSA-N 348.490 4.484 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCc1nc(C2CCCCC2)cs1 390831963 WGZKTWHEYIKWMH-CQSZACIVSA-N 344.480 4.275 0 40 EIAB Cc1ccc(OCCCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408705545 IHCFAMWLBFTHRH-SFHVURJKSA-N 325.452 4.292 0 40 EIAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1c[nH]c2ccccc12 408816382 YLOOSTCVYAOBCJ-UHFFFAOYSA-N 338.387 4.070 0 40 EIAB Cc1cscc1-c1noc([C@H]2CC(=O)N(C3CCC(C)CC3)C2)n1 518071361 TXLYLHKIOQTUBK-QRMWWUJWSA-N 345.468 4.001 0 40 EIAB CCc1nnc(-c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)o1 1118353088 LFDARHLHYNGWAN-UHFFFAOYSA-N 346.390 4.160 0 40 EIAB Cc1coc(-c2ccc3c4c2C(=O)O[C@H]4CCC3(C)C)c1C(=O)O 1772591120 HJMULBYFERPCOH-LBPRGKRZSA-N 326.348 4.236 0 40 EIAB CCCc1ccc(OCc2ccc(C(=O)n3cc(Cl)cn3)o2)cc1 115468 PDHZMMDZJUUJRN-UHFFFAOYSA-N 344.798 4.350 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 568281 BTYWYGBUGGLDMS-UHFFFAOYSA-N 346.858 4.199 0 40 EIAB O=C(CSCc1ccc(Br)cc1)Nc1ccccc1 571650 QKOOOIBUJQIGNH-UHFFFAOYSA-N 336.254 4.321 0 40 EIAB COCC/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(Cl)cc12 1791688 SFXQDEXSKGZZCN-HEHNFIMWSA-N 343.810 4.309 0 40 EIAB CCOc1ccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)cc1 2182622 CUERCEDHSKOJRX-UHFFFAOYSA-N 347.219 4.160 0 40 EIAB COc1ccc(-c2csc(N[C@H]3OC(=O)c4ccccc43)n2)cc1 2205742 AJHIXYKYCQQHOB-INIZCTEOSA-N 338.388 4.100 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1C 2299696 VZNKPVJIYXDMTG-NZXJAIKPSA-N 347.458 4.486 0 40 EIAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NC1CCCCCCCCCCC1 5375013 ABWCDIIQYWLBQU-ROUUACIJSA-N 335.488 4.443 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1Cl 5440499 HXQOELZRHDJSNB-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CC(=O)Nc1n[nH]c(Nc2ccccc2)c1-c1nc2ccccc2s1 6363393 WOZACEMNHBMWSX-UHFFFAOYSA-N 349.419 4.388 0 40 EIAB COc1ccc(-c2cnc3cc(-c4cccc(OC)c4)nn3c2)cc1 6745572 ITEKQUMVLIFTOU-UHFFFAOYSA-N 331.375 4.081 0 40 EIAB CCc1ccc2c(CC(=O)N(C)Cc3ccccc3OC)coc2c1 6859701 SMULJOHFTPWKGL-UHFFFAOYSA-N 337.419 4.205 0 40 EIAB COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1Br 7667361 HIZJKIXPLPRNBI-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)c1 7779096 IDQICFPRKRYSRP-CQSZACIVSA-N 335.369 4.385 0 40 EIAB Cc1cc2occ(CC(=O)Oc3ccc4ccc(=O)oc4c3)c2cc1C 7977944 YIEIHTWAZYCDDU-UHFFFAOYSA-N 348.354 4.304 0 40 EIAB COCCc1ccc(Oc2ncnc3sc4c(c23)CCC4)cc1 7983793 MDANACWEPAFZMU-UHFFFAOYSA-N 326.421 4.161 0 40 EIAB O=c1cc(-c2ccccc2Cl)[nH]n1-c1nc2ccccc2s1 9227011 KHQCJENFDCYFLD-UHFFFAOYSA-N 327.796 4.096 0 40 EIAB Cc1nc2c(c(SCc3cccc(Br)c3)n1)CCC2 12016942 INXJYRZZMCQSAX-UHFFFAOYSA-N 335.270 4.329 0 40 EIAB Cc1ccc(F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12800839 ONRXGBVFJBXJAC-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB Cc1cc(C(=O)O)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 13391263 JJZWKQNKIYRUIK-UHFFFAOYSA-N 341.407 4.008 0 40 EIAB CC[C@@H](C)[C@@H](NC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)O 13556718 VOXZMBVGBVSZLS-RHSMWYFYSA-N 338.492 4.163 0 40 EIAB CCCC(CCC)C(=O)Oc1cc(C)nn1-c1nc2ccccc2[nH]1 13639504 DVTPPRXJJFRGFP-UHFFFAOYSA-N 340.427 4.179 0 40 EIAB CC(=O)Nc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 13797277 KKVAVCKPKTWKJA-UHFFFAOYSA-N 333.844 4.416 0 40 EIAB Cc1ccc(NC(=O)Cc2csc(NCc3ccco3)n2)c(C)c1 13998690 FTBAQNWMPSPZFN-UHFFFAOYSA-N 341.436 4.146 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccc(F)cc2Cl)c1OC 14159620 MNHNMNJQLBCEGM-RMKNXTFCSA-N 335.762 4.148 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Cl)cc1F 14245580 IPJCHOLGNLUDOD-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB CCc1ccc(OCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 14258027 OBKSIAMNOSTQFO-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB Cc1cc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc(C)c1Cl 15860728 UAIYXNYIRWVPNX-HNNXBMFYSA-N 344.842 4.055 0 40 EIAB Cc1ccc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)o1 19617802 BVGKCUFNNXZOLF-OUKQBFOZSA-N 349.434 4.062 0 40 EIAB O=C(Nc1ccc2c(c1)CN(C1CCC1)CC2)C1(c2ccccc2)CC1 19733219 MDUXAWVCTXWAAN-UHFFFAOYSA-N 346.474 4.268 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1N 20344964 LHKGGLHCSJEDFF-JTQLQIEISA-N 339.222 4.290 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1 20455074 KKDVQVXXUGMOHQ-HNNXBMFYSA-N 327.424 4.442 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccccc2)c(Cl)c1 20487963 PCBHUXBPJHZLKU-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(F)cc1 22517178 NGKYUYXMEYDKMK-LJQANCHMSA-N 329.415 4.041 0 40 EIAB CCCc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1 27794651 WOQJQKBYHSNPLU-UHFFFAOYSA-N 346.239 4.058 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 30840585 CJVRIUAJBJOLPT-OXQOHEQNSA-N 339.435 4.135 0 40 EIAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1 32101247 NKKXQUHVMUBWFL-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB Cc1cccc(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 32341444 FVIFKAPYQFESTK-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CC(C)(C)NC(=O)c1cc2occc2n1Cc1ccccc1Cl 35529832 QNEYSCGXNFQIMH-UHFFFAOYSA-N 330.815 4.464 0 40 EIAB Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(F)cc12 35586338 QXJUJZATZPUOPG-UHFFFAOYSA-N 326.396 4.413 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 44845136 GACJDWNADSZEMP-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB CCOc1ccc([C@H]2CCCN2CC(=O)N2CCCC[C@@H]2CC)cc1 48332874 OUMBSRGZPCIPGD-AZUAARDMSA-N 344.499 4.013 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3cccc(-n4ccnc4)c3)cccc2c1C 58426280 ONQPLTJPJUPXMQ-UHFFFAOYSA-N 330.391 4.223 0 40 EIAB CN(C)C1(CNC(=O)Nc2cccc3cccnc23)CCCCCC1 58427906 UMBDTAKKBMLGOR-UHFFFAOYSA-N 340.471 4.011 0 40 EIAB CC[C@@H](c1nnc(SCC(C)C)n1-c1ccc(OC)cc1)N(C)C 66316889 ZMWWUSNXOGZTJL-INIZCTEOSA-N 348.516 4.037 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1 67024735 LAEZNIWVWJBZCD-IRXDYDNUSA-N 327.403 4.270 0 40 EIAB O=C(Cc1cccs1)N[C@@H](c1cccnc1)c1cc2ccccc2o1 69697767 CTTPYNFSXJTUKB-FQEVSTJZSA-N 348.427 4.338 0 40 EIAB Cc1nc2c(ccc3nc(NC(=O)NC4CCCC4)sc32)s1 70655598 KNJMEJYXNYSUGS-UHFFFAOYSA-N 332.454 4.279 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1OC 71279260 UKUDAPYBJBICNC-CQSZACIVSA-N 341.411 4.139 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)o1 71916415 YXTCCCFQKYVIIS-UHFFFAOYSA-N 343.386 4.379 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc3ncccc23)s1 72270329 DUGOXBAXPMEQLM-GFCCVEGCSA-N 325.437 4.141 0 40 EIAB C[S@](=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 72298056 NELYQYKGXUBJPG-VNQWHQNRSA-N 341.476 4.373 0 40 EIAB CCc1ncc(CN(C)Cc2ncc(-c3ccccc3OC)o2)s1 75720112 WYJYRVUNAGLYFQ-UHFFFAOYSA-N 343.452 4.001 0 40 EIAB O=C(Nc1cccnc1Cl)c1ccccc1Oc1cccnc1 78991862 SLBCBNXWTMSRSU-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB Fc1ccc(-c2n[nH]cc2CNc2ccn(-c3ccccc3)n2)cc1 79108739 SLZHUJXTYGSFPI-UHFFFAOYSA-N 333.370 4.014 0 40 EIAB O=C(NCC[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 81252607 OWNPQFBLWPQCQI-NRFANRHFSA-N 345.442 4.058 0 40 EIAB O=C(NCc1cccnc1)N(Cc1cc(F)ccc1F)C1CCCC1 81532329 UILJCMOJJZNTSO-UHFFFAOYSA-N 345.393 4.014 0 40 EIAB CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 87065669 NWEOLXIQJIPDJI-QGZVFWFLSA-N 346.858 4.359 0 40 EIAB O=C(CC1CCCCCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 89818860 UZDJEEBJYFNKLZ-QGZVFWFLSA-N 344.503 4.029 0 40 EIAB CC1(C)CCN(C(=O)c2ccc(Br)o2)c2ccccc21 96100835 ATVDHXFXDRMJOP-UHFFFAOYSA-N 334.213 4.370 0 40 EIAB Cc1noc(C)c1[C@H](C)CC(=O)N(c1ccccn1)C1CCCC1 96484093 DPOOSBZFDFZNET-CYBMUJFWSA-N 327.428 4.156 0 40 EIAB COc1ccc([C@@H](NC2CCSCC2)c2ccc(F)cc2)cc1 96999661 MRMDMBREBWOZJF-IBGZPJMESA-N 331.456 4.409 0 40 EIAB CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1cnc([C@H]2CCCO2)s1 108363209 KCMGUOXCSNYFNE-CAOSSQGBSA-N 346.496 4.057 0 40 EIAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224689990 HWZGUPYTGRHMJY-UHFFFAOYSA-N 327.808 4.003 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 225793061 LAJZPDPUTBELHO-UHFFFAOYSA-N 331.419 4.245 0 40 EIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225882799 FSIVUMWHJJMAFA-LJQANCHMSA-N 330.428 4.023 0 40 EIAB Cc1cccc(CNC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225916056 WJJMNGGOTPABLY-UHFFFAOYSA-N 346.434 4.075 0 40 EIAB Cc1cnc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)s1 257334067 YEJOLXAGTLKUDI-INIZCTEOSA-N 337.448 4.020 0 40 EIAB C[C@H]1CC[C@@H](Cc2nc(-c3ccc(OC4CCOCC4)cc3)no2)C1 545792590 RSHNHNVNYDCAPZ-LSDHHAIUSA-N 342.439 4.273 0 40 EIAB CC(C)(C)C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037978288 NHMRZFAFXSDSMG-PBHICJAKSA-N 332.463 4.078 0 40 EIAB CSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C 60904 QZQHBBHCYWZBTR-UHFFFAOYSA-N 325.437 4.014 0 40 EIAB CCOC(=O)c1ccc(NC(=O)COc2cccc(C(C)C)c2)cc1 113637 VFEVZBYAIOGEMX-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CCn1c(SCC(=O)c2cc(C)ccc2C)nnc1-c1ccco1 410334 FXVUKMSJEIANOQ-UHFFFAOYSA-N 341.436 4.150 0 40 EIAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)NCCc1ccccc1 521703 RYXMPHORPBJKNC-LJQANCHMSA-N 337.394 4.300 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1 2641589 JPBLAESNPFFOSB-RMKNXTFCSA-N 331.784 4.103 0 40 EIAB CCOc1cccc(C=O)c1OCC(=O)Nc1ccc(C(C)C)cc1 3324350 GEZKVJSORXWADT-UHFFFAOYSA-N 341.407 4.039 0 40 EIAB O=C(Nc1nc2c(Br)cccc2s1)c1cccs1 4348358 JUSDZIOSGNMNIX-UHFFFAOYSA-N 339.239 4.373 0 40 EIAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c2ccccc12 4667089 IMIDJONETGFMHA-UHFFFAOYSA-N 349.496 4.342 0 40 EIAB Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1 5152760 YMHRZAKADKPVPC-HXUWFJFHSA-N 346.430 4.122 0 40 EIAB CC(C)(C)c1cc(NC(=O)COc2cc(Cl)ccc2Cl)on1 5313585 KGSIVNVZVREAMQ-UHFFFAOYSA-N 343.210 4.296 0 40 EIAB C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 6510623 WNSBKDXCKAYCNT-SNVBAGLBSA-N 330.236 4.033 0 40 EIAB CCCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 6752592 BPWPZZQLMBQMMW-UHFFFAOYSA-N 341.499 4.466 0 40 EIAB CC(C)[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 8003636 KTEOBTMBQKEDNW-SFHVURJKSA-N 336.357 4.029 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 8041713 XUZVKVPFFCAUPJ-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB O=c1oc2cc(Cl)ccc2n1CN1CCC[C@H]1c1cccs1 8114271 HIFRPWMOMAFFIA-ZDUSSCGKSA-N 334.828 4.104 0 40 EIAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1 8706075 MKCDRWZDGNQFKA-AWEZNQCLSA-N 341.436 4.063 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)on2)cc1 8723840 QSQDONPXILIXDQ-INIZCTEOSA-N 329.400 4.141 0 40 EIAB O=c1cc(O)c2sc3nc(-c4ccccc4Cl)ccc3c2[nH]1 8783606 KWAVHVCINHEPIJ-UHFFFAOYSA-N 328.780 4.164 0 40 EIAB CC(C)CN1C(=O)CCc2cc(NC(=O)C3CCCCC3)ccc21 9137539 IDCZRCAXJJCWHM-UHFFFAOYSA-N 328.456 4.141 0 40 EIAB COc1ccc(NC(=O)c2cc3c(F)cccc3s2)c(OC)c1 10025548 ZMBOBHMEIBCOGK-UHFFFAOYSA-N 331.368 4.310 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)c(C)c1 10028788 FRLKTIOMODZZHB-UHFFFAOYSA-N 327.409 4.284 0 40 EIAB COc1cccc2cc(-c3csc(NC(=O)c4ccco4)n3)oc12 10747745 PZUAQSNGHVPZMI-UHFFFAOYSA-N 340.360 4.410 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 11400235 RTUJFMCEWWDZQS-CYBMUJFWSA-N 328.437 4.073 0 40 EIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccnc1Cl 12257963 SXCSTOPUMYKTTR-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB Cc1ccc2nc(CSc3nc4ccc(Cl)cc4[nH]3)cn2c1 12529513 HNQJJPDEWFSYGT-UHFFFAOYSA-N 328.828 4.465 0 40 EIAB O=C(CSCc1ccccc1)OCc1cc(-c2cccs2)on1 12727055 GDPRJVQHZCKRKC-UHFFFAOYSA-N 345.445 4.380 0 40 EIAB Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1C 12767098 WXFOKGVLDGITSW-UHFFFAOYSA-N 337.463 4.494 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1cccc(OCc2cscn2)c1 12823413 FBRUQZAHDDPFPP-UHFFFAOYSA-N 346.358 4.253 0 40 EIAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(Cl)cc(Cl)c1 12910391 LFHOOFDFOUTJBB-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB O=C(c1ccccc1O)N1CCC(c2nc3ccccc3s2)CC1 12937737 PZTCFZKSZYQDSI-UHFFFAOYSA-N 338.432 4.022 0 40 EIAB CCOc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 13131557 ABPWFENKLHEUGN-RTBURBONSA-N 334.423 4.132 0 40 EIAB CCOc1ccc2ccccc2c1C(=O)NCCc1ccsc1 13698199 UNESILFMYYXDBC-UHFFFAOYSA-N 325.433 4.273 0 40 EIAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccc(F)cc1 15019161 RNLFQYSSCJLKJS-OQLLNIDSSA-N 331.343 4.201 0 40 EIAB Cc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1C 15318683 NYFMBGKOBIIOCC-UHFFFAOYSA-N 325.408 4.034 0 40 EIAB CN1CCC[C@@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 19799359 ADLFYRFPLWANLJ-OAHLLOKOSA-N 338.480 4.015 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 20483683 JBFYNBRWMSYVRJ-KGLIPLIRSA-N 347.842 4.383 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 20493113 JZSIKLOTVNKZHS-OAHLLOKOSA-N 326.415 4.310 0 40 EIAB CCOC(=O)c1ccoc1COC(=O)c1oc2ccc(F)cc2c1C 21445817 CCOSFOSBFVLWNP-UHFFFAOYSA-N 346.310 4.007 0 40 EIAB Cc1cccc(NC(=O)c2cccnc2NCCc2ccccc2)c1 22072443 MDDHPLMXDLCBMM-UHFFFAOYSA-N 331.419 4.297 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1-c1ccc(Cl)cc1 22322303 CEJNYBVZAIGLQE-QGZVFWFLSA-N 337.810 4.147 0 40 EIAB COc1ccc([C@@H](NC(=O)c2ccc(C(C)=O)s2)C(C)C)cc1 23770922 BOJFTTIZRBSBTG-KRWDZBQOSA-N 331.437 4.086 0 40 EIAB Cc1noc(COC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 24161422 TXXKQALDTDQUBM-UHFFFAOYSA-N 334.784 4.117 0 40 EIAB Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C)cc1 24772816 IBOIECPBOMRUNG-AWEZNQCLSA-N 337.398 4.119 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1onc2c1CCCC2 27662388 HAYRKTPNAMBIHN-CYBMUJFWSA-N 342.439 4.257 0 40 EIAB O=C1CCCN1c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 29212777 UKSHNYRYBMLARI-UHFFFAOYSA-N 348.446 4.264 0 40 EIAB COc1ccccc1CC(=O)Nc1cc(C(C)(C)C)ccc1C(C)=O 30822824 IARXIEPBUSRGBQ-UHFFFAOYSA-N 339.435 4.377 0 40 EIAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1OC(F)F 32905591 YVQZZTYCJSNEII-UHFFFAOYSA-N 345.704 4.341 0 40 EIAB COc1cccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)c1 35442907 WKRPSRIYXLZWCT-AWEZNQCLSA-N 342.826 4.479 0 40 EIAB biogenic,in-vitro O=C(NCc1ccco1)c1csc(Nc2cccc(Cl)c2)n1 35596747 PIYIWRUBZCKAMP-UHFFFAOYSA-N 333.800 4.063 0 40 EIAB CCCCCCNc1nc(-c2cnn(C)c2C)cc(C(F)(F)F)n1 36614146 FLFSGXAZICYVPJ-UHFFFAOYSA-N 341.381 4.197 0 40 EIAB O=C(Cc1cccc2ccccc12)NCCc1cccc2cccnc12 39547972 OQZQLJLLUCZBOP-UHFFFAOYSA-N 340.426 4.289 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1 39742993 AYSVVJXJVXYPMV-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB Fc1cccc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)c1 40153838 MWTYPTFQUMBOGF-SFHVURJKSA-N 337.398 4.137 0 40 EIAB Cc1nc(C)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)s1 40157035 ZRRAZQIHTZJPAA-VIFPVBQESA-N 343.279 4.487 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCSc3ccccc32)o1 42956909 IZEXMNCFHXTVTH-OAHLLOKOSA-N 325.437 4.305 0 40 EIAB CC(C)(C)OC(=O)NCc1nnc(-c2ccc(Cl)c(Cl)c2)o1 43179040 XKMNEGYJJCIEPO-UHFFFAOYSA-N 344.198 4.068 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 44899740 KWGXRRZWUKZLCR-INIZCTEOSA-N 341.451 4.292 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)n[nH]2)cc1 51315406 GZKUPWDBVSDEOA-UHFFFAOYSA-N 335.407 4.345 0 40 EIAB O=[S@@](CCCOc1ccc(F)cc1)Cc1cccc(Cl)c1 58132294 MGDMCDJGEAZBOZ-OAQYLSRUSA-N 326.820 4.197 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)cc1 59351908 FVDORMWHJAATGN-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 59426623 IESFCIXPBGMCOS-UHFFFAOYSA-N 331.843 4.333 0 40 EIAB O=NN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 65748216 BLGRQBLVAJWKOT-UHFFFAOYSA-N 339.826 4.413 0 40 EIAB in-vitro C[C@H](c1cccnc1)N(C(=O)c1cc(-c2cccs2)on1)C1CC1 69508889 WRLKVNAFUCHXIW-GFCCVEGCSA-N 339.420 4.164 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 72328968 ICKNXSFKKJBVQE-UHFFFAOYSA-N 349.434 4.102 0 40 EIAB O=C(NCc1ccc(F)cc1Cl)c1ccc(Br)cc1 72331464 BDMQSMGGGVFFCO-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB COc1cccc(-c2cnc(CNc3cc(CO)ccc3Cl)o2)c1 72912181 XUFCOVXNQWQGSO-UHFFFAOYSA-N 344.798 4.108 0 40 EIAB CCOc1cccc2cc([C@H](C)NCC3([C@@H](O)C(C)C)CC3)oc12 95463508 VXEZLIGFOPPMRK-LIRRHRJNSA-N 331.456 4.279 0 40 EIAB C[C@@H]1CCCN1C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96264223 AOMMLHIDJUPJTK-CQSZACIVSA-N 335.451 4.168 0 40 EIAB CO[C@@](C)(CNC(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 96392419 HBBZORWYWUSSHV-HNNXBMFYSA-N 344.263 4.347 0 40 EIAB Cc1nc(COc2cccc(NC(=O)c3cccs3)c2)oc1C 96428987 XNJAILOVZKXEBY-UHFFFAOYSA-N 328.393 4.184 0 40 EIAB C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)c1ccncc1 96446956 LSNFPAUVZMAPMO-CVEARBPZSA-N 346.434 4.265 0 40 EIAB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102662911 XQGMEKZBGZRBBF-LIRRHRJNSA-N 346.390 4.245 0 40 EIAB Cc1cc2c(cc1C)N[C@@H]1C(=O)[C@@H](c3ccccc3Cl)OC1=N2 103963909 ZAXPPBWSPNFTPL-NVXWUHKLSA-N 326.783 4.122 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(F)cc1 113970486 OLHVYIYQMYVJDA-KRWDZBQOSA-N 335.806 4.261 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc2ccccc12 206762957 GUBBRIQHRFNRBW-JWTNVVGKSA-N 325.477 4.267 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 216311228 WEBWSDQTXFTZLI-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB Fc1ccc(C2(CNC(=S)Nc3ccccn3)CCCC2)cc1 223980214 QBNRTXZOFVLLOU-UHFFFAOYSA-N 329.444 4.019 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1Cl 224618663 GEYUCFUIECPLEC-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB COc1cccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225099273 HAXPWGDEWAPMGB-SFHVURJKSA-N 328.408 4.067 0 40 EIAB CCn1c(=O)sc2cc(NC(=O)c3cc(C)c(C)cc3C)ccc21 225128138 NSHBJVZHXWMHTA-UHFFFAOYSA-N 340.448 4.260 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccccc1Cl 225580441 OBMONCKTGSDKHD-CQSZACIVSA-N 339.936 4.281 0 40 EIAB CCOc1cccc(NC(=S)NCCCOC2CCCCC2)c1 225617831 QFTMWMAXXRLICC-UHFFFAOYSA-N 336.501 4.111 0 40 EIAB CN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)c1ccccc1 226303943 RARQRVSFPXSPLN-UHFFFAOYSA-N 326.783 4.459 0 40 EIAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCCC1 226330259 LQSCCGMRUWERIP-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1c1cncnc1C2 238900186 RKRZSXUVOORZAR-BONVTDFDSA-N 349.221 4.077 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@H]1C[C@H]1c1ccccc1 253370027 LCSQDVGQLONUGF-PCCBWWKXSA-N 328.415 4.091 0 40 EIAB CC(C)n1nccc1-c1cccc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257200822 AFAVIRCKSTYGEC-QGZVFWFLSA-N 340.471 4.236 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2Cl)S1 260788410 ZWDRDVQDXSTWIW-XFBWCDHKSA-N 329.856 4.324 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 408779066 QCGRHAPFWJVGSS-AWEZNQCLSA-N 343.448 4.124 0 40 EIAB Cc1cncc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)c1 545025904 KJLBMHOFQAMKOL-UHFFFAOYSA-N 327.334 4.188 0 40 EIAB CCCc1ncc(CNC(=O)C23CCC(C(F)(F)F)(CC2)CC3)o1 1615566195 XWQREUXQZOMUJB-UHFFFAOYSA-N 344.377 4.146 0 40 EIAB Brc1ccc(CSc2nnc(-c3ccco3)o2)cc1 63859 QNHLKXTUAQINRC-UHFFFAOYSA-N 337.198 4.384 0 40 EIAB CC(=O)O[C@H]1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)C1(C)C 118688 UAUUBSHOVAJNJQ-OALUTQOASA-N 339.391 4.213 0 40 EIAB Cc1ccc2cc(C)c(SCC(=O)NCc3ccccc3)nc2c1 421033 MLNCJHNCHNAHAW-UHFFFAOYSA-N 336.460 4.260 0 40 EIAB Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(C)c1Br 483479 SKAZLPOPDLKYRS-UHFFFAOYSA-N 348.027 4.258 0 40 EIAB CCC(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 540089 CDZBMRQFQCSEBC-UHFFFAOYSA-N 328.751 4.429 0 40 EIAB biogenic O=C(Cc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 2631122 KUMPZWRPALWMLE-UHFFFAOYSA-N 327.733 4.218 0 40 EIAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1 3380338 NUTDUIJESKMQHK-UHFFFAOYSA-N 347.370 4.274 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3)o2)c(C)c1 4496659 RXFFSKYBHVDLJB-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CO[C@@](F)(C(=O)Oc1ccc2c(c1)oc1ccccc12)C(F)(F)F 4593632 QWOJWQJXMMFGPU-HNNXBMFYSA-N 342.244 4.366 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 5521994 YAWHEQZZIKLBMV-UHFFFAOYSA-N 337.872 4.116 0 40 EIAB FC(F)Sc1ccc2[nH]/c(=N/C3=NCCCCC3)sc2c1 6189629 CJJYHEUSNGKAGB-UHFFFAOYSA-N 327.425 4.417 0 40 EIAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1cccc2ncccc12 6560507 QDPVBVISOCASPT-UHFFFAOYSA-N 348.402 4.153 0 40 EIAB COc1ccc2oc(C(=O)NCCc3ccc(Cl)cc3)c(C)c2c1 6609603 CUHPSCROYRQRJK-UHFFFAOYSA-N 343.810 4.376 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 6629565 GWIMHESPMJRNHJ-LFIBNONCSA-N 348.443 4.262 0 40 EIAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnccn2)cc1 6862428 TZJAKLJZBQSJSO-UHFFFAOYSA-N 339.782 4.483 0 40 EIAB CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 7572410 CTGXMHICWPNUGK-UHFFFAOYSA-N 337.467 4.338 0 40 EIAB Cc1cc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)no1 7834277 AKFWCASCTDGBNO-UHFFFAOYSA-N 327.767 4.446 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1cccnc1 8174879 KKVWCNKPTXYARL-CYBMUJFWSA-N 340.810 4.144 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccccc2N2CCCCC2)cc1 8429103 CZRSUEDXGVBXRI-QGZVFWFLSA-N 337.467 4.424 0 40 EIAB Cc1cccc(CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 11905597 AJCUXCPFGOIDDI-UHFFFAOYSA-N 336.460 4.270 0 40 EIAB Cc1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)no2)cc1 12235624 BIMBOGXSSJWFJP-UHFFFAOYSA-N 332.359 4.326 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)o1 12443862 YMGDSRQSJFXGAT-UHFFFAOYSA-N 337.379 4.085 0 40 EIAB CC(=O)c1c[nH]c(C(=O)N[C@H](c2ccc(C)cc2)c2cccs2)c1 12801126 XHGFWONUGOCWLS-GOSISDBHSA-N 338.432 4.107 0 40 EIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)c(C)c1 13675817 WUHRNJDGSUUYOU-AWEZNQCLSA-N 343.448 4.291 0 40 EIAB CCN(Cc1ccc2c(c1)OCO2)c1ncnc2sc(C)c(C)c12 14333606 SOHUPNQALABEGN-UHFFFAOYSA-N 341.436 4.063 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)cc1 15358173 JPLWCNOVOACSBC-NSHDSACASA-N 339.313 4.120 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 18114674 QGLDTDVFZFEJGX-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccccc2F)c1C 19558102 VCMCCADDKVTICR-QGZVFWFLSA-N 340.402 4.158 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC 20452811 BKBCKLYESIAWIR-INIZCTEOSA-N 341.451 4.131 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2C)cc1 20492687 FEQSCSPDZSXGJL-LPHOPBHVSA-N 341.451 4.429 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1cccc(Cl)c1 23692919 NXPZRKMTTKXFFT-ZDUSSCGKSA-N 349.883 4.459 0 40 EIAB O=C(NCCSC1CCCC1)c1cccc2c3c([nH]c12)CCCC3 25249996 XHVOZEQGJAUKOI-UHFFFAOYSA-N 342.508 4.452 0 40 EIAB O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)cn1 26860852 DZGCQVIIZQKVKO-UHFFFAOYSA-N 327.236 4.260 0 40 EIAB CCOCc1ccccc1CNC(=O)N[C@H](c1ccccc1)C1CC1 28347356 YJOGYWLBJWWTIO-HXUWFJFHSA-N 338.451 4.174 0 40 EIAB CCCCN(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 32873825 PAIZYXHJZIZIRC-IBGZPJMESA-N 337.419 4.013 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@H](c2ccc(O)cc2)C1 36357351 ULFAADPOFHYTCX-ZDUSSCGKSA-N 339.782 4.355 0 40 EIAB COc1ccc(OCCSc2nnc(C3CCCCC3)o2)cc1 40159055 SNUZEXFRQDTVQP-UHFFFAOYSA-N 334.441 4.297 0 40 EIAB O=C(O)/C=C/c1cc(Br)c(-c2ccccc2Cl)o1 40545507 HLIKLXBSKCBSNJ-AATRIKPKSA-N 327.561 4.460 0 40 EIAB O=S(=O)(Cc1ccccc1)Cc1csc(-c2ccc(F)cc2)n1 45315632 ISDYTSJOLOBXID-UHFFFAOYSA-N 347.436 4.064 0 40 EIAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccsc2)c(Cl)c1 48367021 NKFDCFIXTSIOMV-INIZCTEOSA-N 334.872 4.486 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2C)cc1 51354302 GKMSXYIWYDBINS-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB Cn1c(SCc2c(F)cccc2Cl)nc2ccsc2c1=O 67259727 AHTXMJQSZAXOKE-UHFFFAOYSA-N 340.832 4.080 0 40 EIAB CCCCN(CCCC)S(=O)(=O)c1cccc(C(F)(F)F)c1 68741339 NERGOFMFKYJJNA-UHFFFAOYSA-N 337.407 4.296 0 40 EIAB CN(C(=O)Cc1cccs1)[C@H](c1cccc(F)c1)c1ccccn1 69581770 YVRLMVBNSSMECU-LJQANCHMSA-N 340.423 4.073 0 40 EIAB CCCN1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214799 QOFMXBISKRAHRL-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB Cc1cnc([C@@H](NC(=O)C2CCC(n3cccc3)CC2)C2CC2)s1 72296839 HKNWZZGIGCROBY-JCYILVPMSA-N 343.496 4.252 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1nccc2ccccc12 72330308 FNTQWVKZABOMTF-UHFFFAOYSA-N 348.402 4.154 0 40 EIAB Cc1cc(C(=O)N(C)[C@H](C)c2cccnc2)cc(C)c1OC(F)F 78562116 YQDYEJPYFHKIIJ-CYBMUJFWSA-N 334.366 4.133 0 40 EIAB CCc1cnc(NC(=O)c2ccccc2Oc2cccnc2)s1 81228875 PWXFTGBFKISJGS-UHFFFAOYSA-N 325.393 4.145 0 40 EIAB O=C(CCc1ccco1)N[C@H](c1cccc(Cl)c1)c1ccccn1 89878959 OGMLKMHGAYRKKF-LJQANCHMSA-N 340.810 4.166 0 40 EIAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3ccncn3)c2)n1 91695725 BHKYUWNJQNNZMS-UHFFFAOYSA-N 344.340 4.290 0 40 EIAB C[C@H](SCc1nccn1C(F)F)c1nc(-c2ccccc2)no1 95418083 GVTCRQFCZWTLCV-JTQLQIEISA-N 336.367 4.323 0 40 EIAB O=C(N[C@H](CCO)C1CCCCC1)c1ccc(Cl)cc1Cl 95426650 ICINSIWSUACCAL-OAHLLOKOSA-N 330.255 4.055 0 40 EIAB FCCOc1cccc(NCc2csc(-c3ccccn3)n2)c1 95429335 PFANMHKIHCKVRA-UHFFFAOYSA-N 329.400 4.166 0 40 EIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cn[nH]c5)(C4)C2)C3)cc1 103141144 AVVBQRZWZDYOKA-AJHHTPGJSA-N 335.451 4.195 0 40 EIAB FC(F)(F)CN(Cc1ccccc1)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 103281790 DSPLIZUTOINTMK-SOUVJXGZSA-N 342.430 4.114 0 40 EIAB CCc1c2c(n(-c3cc(N)cc(C(F)(F)F)c3)c1C)CCCC2=O 199730670 LMVCTBISDJOAKG-UHFFFAOYSA-N 336.357 4.468 0 40 EIAB O=C(c1ccc2nc[nH]c2c1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206670060 OLOHSSNGZMWWOT-MRXNPFEDSA-N 337.398 4.112 0 40 EIAB COc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1C 223239072 KBPDGIIJLARPTB-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB CCCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC 224411028 XHQUITKFVKMMFQ-HNNXBMFYSA-N 327.424 4.113 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 225172715 LXWDLFIBFDXTFA-UHFFFAOYSA-N 330.431 4.470 0 40 EIAB C[C@H]1N=C(c2ccccc2F)c2cccn2-c2cc3c(cc21)OCCO3 225375000 QFEIJIUJMRDSBR-CYBMUJFWSA-N 348.377 4.300 0 40 EIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCOCC)cc1 225739623 KFOFSVUDVMFCPS-LJQANCHMSA-N 337.460 4.026 0 40 EIAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(F)cc1 226254827 HFXBXKDQILIPNQ-CYBMUJFWSA-N 327.403 4.039 0 40 EIAB CCc1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226309427 XOQIMYJMCXVOHP-UHFFFAOYSA-N 331.828 4.347 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COCC[C@@H]1C[C@H]2CC[C@H]1C2 252506114 QBRZVAUIHARCSG-INDMIFKZSA-N 337.548 4.233 0 40 EIAB Cc1ccc(CCCC(=O)Nc2ccc(-n3cccn3)cc2)s1 257173106 CSOHMRBLBJGLKB-UHFFFAOYSA-N 325.437 4.204 0 40 EIAB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1C 409131126 JTYBXJSLAVNVPH-MHWRWJLKSA-N 332.469 4.259 0 40 EIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCS[C@@H]2CCCC[C@@H]21 503429552 QQCJMUONQZUWKE-CEXWTWQISA-N 345.508 4.081 0 40 EIAB Cc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 585289243 OOMOGLZNWSROIW-XUVXKRRUSA-N 345.870 4.099 0 40 EIAB O=c1c2c(nc(SCC3CCC3)n1-c1ccc(F)cc1)CCCC2 1888947680 VDQRCCRWZYWVLY-UHFFFAOYSA-N 344.455 4.143 0 40 EIAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 209965 NHTQRJNOGFRURG-UHFFFAOYSA-N 339.464 4.032 0 40 EIAB C[C@H]1CCc2sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c3c2C1 496324 VXWLXALUCVCXRD-NSHDSACASA-N 342.489 4.294 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)OC2 869313 DKWIKERSUYXQCJ-UHFFFAOYSA-N 336.269 4.020 0 40 EIAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1cccc(F)c1 1434572 FQXFOUHFJPNCPM-NVNXTCNLSA-N 346.358 4.071 0 40 EIAB COc1ccc2nc(NC(=O)c3cc4c(s3)CCC4)sc2c1 2622539 LXAXCEJDDPBCJL-UHFFFAOYSA-N 330.434 4.107 0 40 EIAB COc1cccc2sc(Nc3nnc(-c4ccc(F)cc4)o3)nc12 4137645 TUNSTYGNRZSNSX-UHFFFAOYSA-N 342.355 4.238 0 40 EIAB CCCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21 5054464 GZLQUQSOMHOETJ-UHFFFAOYSA-N 339.439 4.466 0 40 EIAB C=C1C[C@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@]3(O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 5383447 JKPFAFOFFYRBDB-YGFCNAKASA-N 342.479 4.005 0 40 EIAB Cc1cccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)c1C 5552955 MISNQTYOKWZMBY-YVLHZVERSA-N 337.400 4.357 0 40 EIAB O=C(COc1ccc2cc(Br)ccc2c1)NC1CCCC1 5744279 ZLDLNQHENAGASY-UHFFFAOYSA-N 348.240 4.040 0 40 EIAB COc1ccccc1-c1nnc(SCc2cccc(C)c2)n1C 6147757 POFUQCUKFBGBFK-UHFFFAOYSA-N 325.437 4.091 0 40 EIAB CC(C)[C@H](NC(=O)c1ccccc1F)c1ccc2c(c1)OCCCO2 6790034 ZJRCGQMTJQAVFQ-IBGZPJMESA-N 343.398 4.114 0 40 EIAB COc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 6810055 GQFHIHRQQVLZSU-UHFFFAOYSA-N 331.169 4.175 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3c(F)cccc3F)s2)cc1 7319045 MXTZNVASBVUJQP-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB CCc1cc2c(SCC(=O)N[C@H]3CCCC[C@@H]3C)ncnc2s1 8394801 FQJQYDOCFNTAKD-FZMZJTMJSA-N 349.525 4.041 0 40 EIAB CC(C)(C)c1ccc(CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 8587323 KQZWJHUOAJXPAP-UHFFFAOYSA-N 328.481 4.239 0 40 EIAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2[nH]1 9322282 RXVDQLKTOLMOSU-UHFFFAOYSA-N 333.435 4.040 0 40 EIAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CC(C)C)nc3c12 9423745 MBFMLIQYAJIHNB-UHFFFAOYSA-N 337.402 4.023 0 40 EIAB CC(=O)c1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 12615870 JPLVVMDFHJVDHE-UHFFFAOYSA-N 342.445 4.255 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc12 12757575 DAVFYSXFGQDXCU-SECBINFHSA-N 333.844 4.088 0 40 EIAB Cc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1 12866680 UHILPOFZXVOLDC-UHFFFAOYSA-N 342.489 4.461 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)CCCNC(=O)c1ccsc1 12995347 ASNMTIXKKGGSBD-UHFFFAOYSA-N 344.480 4.194 0 40 EIAB CC(C)[C@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14167480 MQWPEDCHWUCPHQ-AWEZNQCLSA-N 335.407 4.178 0 40 EIAB Cc1c(-c2csc(N3CCN(C)CC3)n2)sc2ccccc12 15453850 SBDXNBVRZVVANP-UHFFFAOYSA-N 329.494 4.085 0 40 EIAB O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCCCC1 16848743 YKGVLRTWOLRIAM-UHFFFAOYSA-N 339.464 4.008 0 40 EIAB Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 19995193 USLBFDZEUDWTHL-UHFFFAOYSA-N 330.322 4.368 0 40 EIAB CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1C(C)C 20034464 GNTHDPKVARFGLW-UHFFFAOYSA-N 343.456 4.072 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(F)cc1 20460542 QKCOREWKBKSMKV-YJBOKZPZSA-N 329.415 4.477 0 40 EIAB O=C(NCCC1=CCCCC1)c1occc1COc1ccccc1 21297676 XJNWJPKGBZTTMM-UHFFFAOYSA-N 325.408 4.479 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)CCc1ccc(-c2ccccc2F)o1 22838246 BJEJHSPBWNGJFK-UHFFFAOYSA-N 341.386 4.007 0 40 EIAB NC(=O)c1ccccc1OCc1csc(-c2ccccc2Cl)n1 24950976 ULQSKGPILFDHHG-UHFFFAOYSA-N 344.823 4.141 0 40 EIAB COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 26894639 GICRIQQPXPKWNB-DLBZAZTESA-N 340.814 4.086 0 40 EIAB O=C(c1cccnc1Cl)N(Cc1cccc2[nH]ccc12)C1CC1 32090645 HCVIUIKMWSORTA-UHFFFAOYSA-N 325.799 4.021 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1cccc2ncccc12)c1ccccc1 32903431 WJROYKTVQGJCMD-OAQYLSRUSA-N 347.462 4.048 0 40 EIAB CCO[P@](C)(=O)[C@H](C(N)=O)c1csc2ccc(Cl)cc12 36377909 VGOZVZRZLDCLIO-BUXKBTBVSA-N 331.761 4.026 0 40 EIAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2Cl)C1=O 36635393 LYRMHQIKFFBFOS-AWEZNQCLSA-N 349.217 4.046 0 40 EIAB Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478363 YFMXPYRYUIQHGK-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCOCCCNC(=O)Nc1cccc(C2SCCCS2)c1 43834774 CPMCQPNUWLFKLW-UHFFFAOYSA-N 340.514 4.103 0 40 EIAB COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)nc2C)cc1 44676311 WZEASNLZWHUMQQ-UHFFFAOYSA-N 325.290 4.061 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2Cl)c1C(=O)N1CCCC1 46909657 CJLIZTWDRXUACY-UHFFFAOYSA-N 342.826 4.137 0 40 EIAB O=C(c1cnc(-c2ccccc2Cl)s1)N1CCCSCC1 50582996 VHDNPNJKLJBJCI-UHFFFAOYSA-N 338.885 4.043 0 40 EIAB C[C@@H](OC(=O)c1cccc(F)c1)c1nc2ccccc2n1C(F)F 58511914 YIBJLVMUKARPMJ-SNVBAGLBSA-N 334.297 4.489 0 40 EIAB O=C(NCCc1ccccc1C(F)(F)F)c1cc2c(s1)CCC2 64782642 CBXGZSXXCIEGQA-UHFFFAOYSA-N 339.382 4.228 0 40 EIAB CSc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1 65564912 SYAKARXMXUGOGD-UHFFFAOYSA-N 341.461 4.108 0 40 EIAB CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2cccs2)c1 69378325 MBVURAISMSUZJP-AWEZNQCLSA-N 330.453 4.305 0 40 EIAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2)o1 71279294 QPMJPOXPGDBRAY-ZDUSSCGKSA-N 337.379 4.141 0 40 EIAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCC1)C1CCCC1 72215603 HMLSOBRCDQREOW-UHFFFAOYSA-N 329.444 4.349 0 40 EIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2Cc2ccco2)n1 72366751 MHQCXMYZJXQRCY-GOSISDBHSA-N 336.439 4.321 0 40 EIAB O=C(c1ccccc1F)N(CCc1cccs1)Cc1ccco1 75154752 NZGJMCGIKLAWEI-UHFFFAOYSA-N 329.396 4.365 0 40 EIAB O=C1O/C(=C\NOCc2ccc(Cl)c(Cl)c2)c2ccccc21 100391786 PYXUVPZBGVVWLL-NVNXTCNLSA-N 336.174 4.184 0 40 EIAB O=C(c1ccccc1Cl)N(CCc1cccs1)C1CCOCC1 207962737 CEIMOTPZXIOXJM-UHFFFAOYSA-N 349.883 4.265 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222613285 HTOGNTOYMCUWGF-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1 223120578 ABKGJNCWUPJIEQ-ZWKOTPCHSA-N 340.496 4.023 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)COc1cccc(Cl)c1 223827881 JRARHFLYOLQYRL-UHFFFAOYSA-N 347.842 4.037 0 40 EIAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccc(C)c(C)c1 224285350 SXUUNGFAPDLHAY-UHFFFAOYSA-N 341.451 4.277 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224425011 VBPVDTACWNWHSX-AEFFLSMTSA-N 325.452 4.299 0 40 EIAB Cc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)n1 225661799 FLPWVFGSJNHFDM-HNNXBMFYSA-N 327.497 4.433 0 40 EIAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cccc(Cl)c1 225756197 NUKJHVMHNQNYBR-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2)c1 225765821 PNHIBHGBSONPKY-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COc1ccc(-c2cc(C(=O)O)cc3cc(OC)c(OC)cc23)cc1 256027921 JUCRRWLAKWQNPH-UHFFFAOYSA-N 338.359 4.231 0 40 EIAB Cc1nsc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 333964186 OSZWJFDHDAFVES-HNNXBMFYSA-N 340.452 4.004 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(C(F)F)cc1 386296725 JIFPGTRLVLTCEB-CQSZACIVSA-N 326.387 4.436 0 40 EIAB COC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CCO[C@@H]21 409189648 MFGRRBHZZKTYOW-HFTRVMKXSA-N 343.810 4.371 0 40 EIAB C[C@@H](CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2)c1nccs1 541416198 DNHJKFYTFINJRZ-IWUURBKTSA-N 332.513 4.312 0 40 EIAB CCOC(=O)c1sc2nc(C)nc(Nc3ccc(F)cc3)c2c1C 109441 WUFHUYUZMAAIJO-UHFFFAOYSA-N 345.399 4.368 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)o1 204897 XDJGRFVVVPCXCN-UHFFFAOYSA-N 332.359 4.326 0 40 EIAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1 426631 FTTRARDKZPWKFX-SNVBAGLBSA-N 334.366 4.356 0 40 EIAB O=C(Nc1c(Cl)cccc1Cl)c1cc2ccccc2c(=O)o1 483624 UUBUVEUNAFIHRA-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1cc(C)c(Cl)cc1OC 579881 HENSLWCHVYETGP-INIZCTEOSA-N 333.815 4.453 0 40 EIAB CCCn1c(=S)[nH]c2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1248207 GWEKNFAIHANUHW-UHFFFAOYSA-N 326.465 4.351 0 40 EIAB Fc1ccc(-c2cc3nc4c(c(N5CCCC5)n3n2)CCCC4)cc1 1341445 JFWPWAOOTOWPDD-UHFFFAOYSA-N 336.414 4.014 0 40 EIAB CCOc1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)cc1 2576752 AWEXUBOOHJBJNH-KPKJPENVSA-N 329.827 4.111 0 40 EIAB CCCCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 4330343 BTVKLAHNZMAYPU-UHFFFAOYSA-N 343.408 4.229 0 40 EIAB O=C(NCCOc1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 4694433 KSEGMVSNTRMCLV-UHFFFAOYSA-N 341.794 4.409 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c1 6425941 JNXYWSJRNSIXLZ-UHFFFAOYSA-N 338.432 4.252 0 40 EIAB O=c1[nH]c(=S)c(-c2ccccc2)cn1CCCOc1ccccc1 6575900 MDWNNFQKLYFXMQ-UHFFFAOYSA-N 338.432 4.042 0 40 EIAB O=C(Nc1nonc1-c1ccc(F)cc1)c1cccc2ccccc12 6719612 WVBGPVHKRGJSKM-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccccc3Cl)oc2c1 6811299 JMWHKTNNLJGQRS-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1cc(Br)ccc1NC(=O)Cc1noc2ccccc12 6834709 NYTXQDUEVSKEIQ-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB Cc1ccc(-c2ccc3c(C)nn(-c4nc(C)cc(C)n4)c3n2)cc1 6997038 PAUDVBJFORQLJB-UHFFFAOYSA-N 329.407 4.111 0 40 EIAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1cccc2ccccc12 7099048 WIPFMQNLBHBKJP-PDGQHHTCSA-N 346.411 4.471 0 40 EIAB O=C(COc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 7755965 ZTAUBGDQYGWDOE-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB COc1ccccc1-c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8209376 OMLUBUZIMDOINB-UHFFFAOYSA-N 336.416 4.370 0 40 EIAB Cc1ccccc1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 8603532 XCRHPHNQBUMBJY-UHFFFAOYSA-N 348.427 4.310 0 40 EIAB O=C(Nc1nc(-c2ccncc2)cs1)c1cc(Cl)ccc1F 9364344 MEXSGVNLBNOIPS-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 9742062 WCXHKJVYINFWAQ-FQEVSTJZSA-N 346.434 4.100 0 40 EIAB COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccc(C)cc2)C2CC2)cc1 10351350 XWHIIZYNRPQHRQ-MGPUTAFESA-N 338.451 4.072 0 40 EIAB CSc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 10993577 GGQACTSJIXEBEZ-UHFFFAOYSA-N 337.444 4.371 0 40 EIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccc1 12062891 USECCWUQYLIWIU-SFHVURJKSA-N 333.387 4.057 0 40 EIAB Cc1ccc(CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 12188085 DOWGVQMCRMCPPN-OAQYLSRUSA-N 344.458 4.492 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cccc(Cl)c1 12760511 KAATUXIDHMBSCZ-LBPRGKRZSA-N 349.839 4.468 0 40 EIAB CCONC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12763727 DPRJFIZQFBWUMR-UHFFFAOYSA-N 326.783 4.237 0 40 EIAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1 12797240 BOZDHVTVRBJYOM-IZZDOVSWSA-N 327.453 4.365 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 12977519 HXHISBWFGQTQKW-UHFFFAOYSA-N 349.409 4.161 0 40 EIAB COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3)o2)cc1 12996466 WOOCPMUIKTXSNV-UHFFFAOYSA-N 335.403 4.204 0 40 EIAB biogenic C[C@@H]1CCc2sc3ncn4c(Cc5cccs5)nnc4c3c2C1 13733009 SCSCUEXBCHXIEG-SNVBAGLBSA-N 340.477 4.116 0 40 EIAB CCCCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21 13763916 VFFFJVZQRGJDCG-UHFFFAOYSA-N 339.439 4.466 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)NC2CCCCC2)on1 14092940 TYAWGLPWZOGRDK-UHFFFAOYSA-N 330.453 4.338 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1cccs1 14186008 OSHOIJDJLVSJRZ-LLVKDONJSA-N 346.452 4.431 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 15608657 LPYWMBQZQIGTME-UELRPHRMSA-N 340.398 4.006 0 40 EIAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 18016268 HTENJDIHICUSAF-SNVBAGLBSA-N 333.313 4.073 0 40 EIAB Cc1cccc(CCC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19236093 NXLMPCPDKNBVIE-SQOUVECCSA-N 348.490 4.411 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)n1 25607756 MUODDEVSKPGVHB-UHFFFAOYSA-N 346.390 4.286 0 40 EIAB COc1ccc(CN(C(=O)c2cc(C)ccc2C)C2CC2)c(OC)c1 25760904 VYGGUWNSLDKKMK-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB CCOC1=CC2=C(C)C[C@H]3[C@@H]4CCC(=O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1 26892033 FKJJNZOSMGUJJO-LBYDKSIMSA-N 344.495 4.410 0 40 EIAB O=C(Cc1cccs1)Nc1ccc(Br)c2cccnc12 27930142 XBTCSLWHUOPYAK-UHFFFAOYSA-N 347.237 4.240 0 40 EIAB Cc1nc(CCNC(=O)c2cc3c(s2)CCCCCC3)cs1 29498843 HXTPKBBESDKJCO-UHFFFAOYSA-N 334.510 4.145 0 40 EIAB CC(=O)Nc1nc(C(=O)Nc2ccccc2-c2ccccc2)cs1 32804573 IRZLWQLLZRHOBO-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)ccc1C)c1ccccc1Cl 32922350 WQLSAQOIIJAYGA-SFHVURJKSA-N 344.842 4.163 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccc(O)cc2)C1 36360838 WGHCJQDBVPGXBJ-HNNXBMFYSA-N 339.782 4.355 0 40 EIAB Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)ccc1F 40095991 JTURJEYRPYKHGA-UHFFFAOYSA-N 326.293 4.475 0 40 EIAB O=C(Nc1cccc(-c2nccs2)c1)c1cc2ccccc2oc1=O 40151070 WOQZRHICRNYWMW-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB O=C(O)c1cccc(Nc2ccnc3ccc(Br)cc23)c1 40175593 DOXSONXARLIQPN-UHFFFAOYSA-N 343.180 4.439 0 40 EIAB C[C@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 56483105 SOJYKHLSICQEDA-IAQYHMDHSA-N 338.238 4.115 0 40 EIAB CCOC(=O)c1ccc(Nc2ccnc3c(F)ccc(F)c23)cc1 64874881 LPKCDGIQYQASHE-UHFFFAOYSA-N 328.318 4.433 0 40 EIAB CC(C)c1ccc(C[S@](=O)Cc2nc(-c3cccs3)no2)cc1 66296684 ARVJBLBWBCGNBW-HSZRJFAPSA-N 346.477 4.370 0 40 EIAB CSc1ccc([C@@H](C)NCc2ccccc2N2CCOCC2)cc1 66990190 KEEPAQGWGFEVIC-MRXNPFEDSA-N 342.508 4.096 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1 67339742 WXYJHCXDDHKORE-MDZDMXLPSA-N 334.375 4.352 0 40 EIAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72218918 GSRNMXVKHLKEPY-MRXNPFEDSA-N 331.460 4.062 0 40 EIAB C[C@@H]1C[C@@H]1[C@@H](c1csc2ccccc12)N(C)C(=O)/C=C/CN(C)C 74339087 YIOMOPWCEXBRPZ-CMWAACCKSA-N 342.508 4.175 0 40 EIAB C[C@@H](Oc1ccccc1NC(=O)CCc1cnn(C)c1)c1ccccc1 75139579 BYRIRCSHVNOJRV-MRXNPFEDSA-N 349.434 4.131 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2csc3c2CC[C@@H](C)C3)on1 77212497 NZLHYZMJQMDSRO-ABAIWWIYSA-N 330.453 4.147 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C1=COCCC1 95413099 TVXZFWDJKHYYPF-AWEZNQCLSA-N 342.464 4.332 0 40 EIAB Cc1ccc2ccccc2c1NC(=O)Nc1ccc2c(c1)CC(=O)N2 95416983 ZOGLTIXNZPLTAH-UHFFFAOYSA-N 331.375 4.287 0 40 EIAB O[C@@H](C1CCN([C@@H]2CCCCc3ccccc32)CC1)C(F)(F)F 95968375 JCCCIRUULSLXLX-SJORKVTESA-N 327.390 4.089 0 40 EIAB COCCn1nc(C)c(NCc2ccc(Cl)c(Cl)c2)c1C 96003886 WFKIKPDQMQJYQH-UHFFFAOYSA-N 328.243 4.065 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccccc3O)on2)C1 100928392 AHOKGEPMVCQDBT-XCLFUZPHSA-N 340.423 4.088 0 40 EIAB COc1ccccc1[C@H]1C=C(c2ccc(C(C)C)cc2)Nc2ncnn21 102048093 JQINNKKENWCCSP-LJQANCHMSA-N 346.434 4.466 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)c(OC)c1 113970439 PPLQPRSETSWKIE-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB CC(=O)O[C@H]1C=C2C=C[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118935723 HTGANGPOQQNFAP-KPKYYQPRSA-N 328.452 4.226 0 40 EIAB Cc1c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)oc2ccccc12 189582708 XDNOQLOGPJLYDA-SVGFKBNWSA-N 342.439 4.059 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222995558 POSOSJUGBUAWHF-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 223682209 QOIDEDVKZYWZSI-KRWDZBQOSA-N 337.463 4.300 0 40 EIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1cc(C)ccc1C 225785092 SSNBOKYNYMDDIW-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 226339434 GTADAILQZYOTIC-XHXJHSHESA-N 332.447 4.343 0 40 EIAB CCOCCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409144543 FZIVVRIUSAALFG-OBGWFSINSA-N 343.854 4.423 0 40 EIAB O=C(O)c1ccc(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)s1 563454566 MXKBTHMSVQTUHQ-INIZCTEOSA-N 327.449 4.216 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@H](OC(F)F)C1 585080304 CFMXRRXPZNPWJW-NSHDSACASA-N 346.805 4.310 0 40 EIAB O=C(Nc1ccc(NCCC[C@@H]2CCO2)cc1)N1CCCCCC1 585117846 ZWCGNGBEIPRRHC-GOSISDBHSA-N 331.460 4.076 0 40 EIAB ClC1(Cl)C[C@H]1c1noc(Cc2coc(-c3cccs3)n2)n1 585120626 YHEVYXHEZLTJLI-QMMMGPOBSA-N 342.207 4.038 0 40 EIAB CCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 1772820597 YRUSTWBJNUPPQI-UHFFFAOYSA-N 332.403 4.475 0 40 EIAB O=C(O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 31385 LVEZEKXRACCOLZ-UHFFFAOYSA-N 331.371 4.155 0 40 EIAB CCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 31400 DRQJSDYVORTCEY-FOIQADDNSA-N 336.435 4.316 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 73461 QTPHFKFKDRCEJG-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB O=C1c2ccccc2CCC[C@@]12O[C@@H]2c1ccc(Br)cc1 163851 FFIGGUZNKZJROU-QZTJIDSGSA-N 343.220 4.478 0 40 EIAB C[C@@H](O)CN(C)CC/C=C1/c2ccccc2CSc2ccccc21 346676 RZTBVIDBPCDVPL-VXIUPONVSA-N 339.504 4.427 0 40 EIAB O=c1[nH]c(-c2cccnc2)nc2scc(-c3ccc(Cl)cc3)c12 387994 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Cc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)c1ccccc1 10468336 CLZFWQXHWNCLNO-UHFFFAOYSA-N 339.778 4.236 0 40 EIAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 10543929 DOQOBHUKQOBVEK-INIZCTEOSA-N 339.460 4.496 0 40 EIAB CN(CCOc1ccccc1)C(=O)c1ccnc2ccc(Cl)cc12 12325383 DQYKBAATJJRXNA-UHFFFAOYSA-N 340.810 4.039 0 40 EIAB Cc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1F 12488721 IQBLIRIOHYOSCQ-UHFFFAOYSA-N 340.442 4.050 0 40 EIAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 12679714 RFCTZAXSJUEOCI-BXUZGUMPSA-N 343.452 4.143 0 40 EIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(F)c3)c12 12746780 HAMQGQXGCSBFRK-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB O=C(NCc1ccccc1OC(F)F)c1ccc2c(c1)CCCC2 12757763 YIMWRWGWRQSKRS-UHFFFAOYSA-N 331.362 4.097 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCc3nc(CC(C)C)no3)o2)c1 12800974 SDHJSWRECFFCCM-UHFFFAOYSA-N 344.440 4.227 0 40 EIAB COCCc1ccc(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)cc1 12808492 MVVFSNVBIMJEEE-OAHLLOKOSA-N 342.464 4.294 0 40 EIAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cc(C)ccc1C 13685756 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CCCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21 21596651 QOZCWMNPXBHWMH-UHFFFAOYSA-N 345.406 4.032 0 40 EIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1 22524126 TWHMQOGTMDLBDB-SFHVURJKSA-N 327.424 4.498 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2ccc(C)cc12 24708610 YWDHWMPGDYJDJN-UHFFFAOYSA-N 346.430 4.453 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 25330316 BNNAOHCKXWDBOK-OAHLLOKOSA-N 348.537 4.111 0 40 EIAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccc(F)cc1 25372706 PDFVMKTWMMUXKA-GFCCVEGCSA-N 345.848 4.066 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1cc(C(C)C)ccc1OC 26843974 SUKZSPWIWUYAQO-UHFFFAOYSA-N 333.453 4.182 0 40 EIAB C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(Cl)s1 28410592 SYMNZGFDTCAHDB-ZYHUDNBSSA-N 336.844 4.286 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(OC)c2)cc1 31821085 DZRIGRKAZHSLHF-KRWDZBQOSA-N 349.390 4.013 0 40 EIAB Cc1ccc(C(=O)C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1 31967903 VHZWARQOCWOTCI-UHFFFAOYSA-N 336.416 4.248 0 40 EIAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 32094238 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4.478 0 40 EIAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57503951 YCJRDYBPRZZQLJ-SCLBCKFNSA-N 328.843 4.011 0 40 EIAB O=C(CCCn1cccn1)Nc1nc2c(ccc3ccccc32)s1 58416756 IYBVKIJYNGZRCH-UHFFFAOYSA-N 336.420 4.065 0 40 EIAB CSc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1 64598003 TXHRQOZAXHTPLW-UHFFFAOYSA-N 343.473 4.040 0 40 EIAB CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(F)cc2F)n1 65562722 VPKJUUMJBMOBSH-UHFFFAOYSA-N 343.333 4.391 0 40 EIAB CN(C(=O)/C=C/c1ccco1)[C@H](c1cccc(F)c1)c1ccccn1 69581739 YEKBHOFEQVOVRG-CTDFXDFQSA-N 336.366 4.075 0 40 EIAB Clc1ccccc1Cc1nnc2sc(-c3cccs3)nn12 71281982 PWXQMUFZJPATHM-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB COc1ccc([C@H](C)Nc2ccc(N3CCOC3=O)cc2)cc1Cl 71902559 NZSJRGIYFOETST-LBPRGKRZSA-N 346.814 4.478 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(F)c(Cl)c1 72331738 RROJUSQYSLDOSX-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB CCc1ccc([C@H](Nc2cc(-n3ccnc3)ncn2)C(C)(C)C)o1 85707101 OCVVNLPASZKADN-KRWDZBQOSA-N 325.416 4.017 0 40 EIAB COc1ccc2c(c1)OCC[C@H]2NCc1cnc(C2CCC2)s1 95415515 YONQPRWQZVVPFK-MRXNPFEDSA-N 330.453 4.033 0 40 EIAB CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 95864995 FXTMBVFOKJRWOM-FAWFAKQUSA-N 344.495 4.037 0 40 EIAB C[C@@H](N[C@@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 96478555 LMXZPOPDEIHEAL-FZKQIMNGSA-N 341.480 4.072 0 40 EIAB Clc1ccc(-c2csc(CN[C@@H]3CCN4CCC[C@@H]4C3)n2)cc1 96484319 FKLACJKOWPDBLI-HZPDHXFCSA-N 347.915 4.180 0 40 EIAB COc1ccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c(Cl)c1 97113205 MUZNULOGAMQWFQ-SECBINFHSA-N 339.848 4.039 0 40 EIAB Cc1cccc([C@@H]2N=C(C(C)(C)C)N=C2c2ccc3nccnc3c2)n1 108646668 DRUMOGFYOIKNRH-IBGZPJMESA-N 343.434 4.322 0 40 EIAB O=c1c2ccccc2cnn1-c1nc2c(Cl)cc(Cl)cc2s1 216736503 WLFNBVIUCYJMDR-UHFFFAOYSA-N 348.214 4.302 0 40 EIAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 224282912 KNMXBUVQSFHYTK-KRWDZBQOSA-N 336.479 4.336 0 40 EIAB COc1ccc(C(=O)NC2CCCCCC2)cc1COCC(C)C 224445638 YQFUSIKPNXSWLI-UHFFFAOYSA-N 333.472 4.320 0 40 EIAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1F 224980385 UFFNQYHTTANMGT-UHFFFAOYSA-N 328.387 4.077 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2Cl)c1 225002385 NNNJYQADQJXJKI-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB COc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1Cl 225122777 WCEXFVLAGNAKNR-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1 225458953 HWVLPGYZQFNJEK-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CC(C)NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225462505 UVCSOKBTZAFVCB-UHFFFAOYSA-N 347.871 4.287 0 40 EIAB O=C(NCCC1=CCCCC1)c1snnc1-c1ccc(Cl)cc1 225768789 PZFNQWNDPAYQAS-UHFFFAOYSA-N 347.871 4.479 0 40 EIAB S=C(Nc1ccccc1Cl)NC1(c2cccnc2)CCCC1 225844136 YZBQVITVMHLWHK-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB Cc1cc(CCCNC(=O)NC(c2ccccc2)c2ccccc2)on1 244983744 IPHJHNUIKWTEEG-UHFFFAOYSA-N 349.434 4.004 0 40 EIAB CSCc1nnc(SCC(=O)c2cccc(Cl)c2Cl)o1 252502257 UOTUAFLOABHKSB-UHFFFAOYSA-N 349.264 4.214 0 40 EIAB CCN1C(=O)/C(=C/c2ccc(Br)cc2)c2ccccc21 409195779 QJTBDGMGDGYYQP-RVDMUPIBSA-N 328.209 4.356 0 40 EIAB CC[C@@H]1OCC[C@H]1NCc1coc(-c2ccccc2C(F)(F)F)n1 639670636 DNFLDRFAUZZWIS-CABCVRRESA-N 340.345 4.018 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1C 1124835345 BCRMZRGTUHRVOY-UHFFFAOYSA-N 345.402 4.268 0 40 EIAB O=C(CCCc1cccnc1)Nc1ccc(Oc2cccnc2)cc1 1583107885 HERRCLJLZAIZSD-UHFFFAOYSA-N 333.391 4.230 0 40 EIAB Cc1ccccc1-n1c(Cc2ccccc2)nc2ccccc2c1=O 103056 KFQYXEITWGMUOJ-UHFFFAOYSA-N 326.399 4.285 0 40 EIAB O=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccc(Cl)cc12 174870 PSUOLGHURRKIST-UHFFFAOYSA-N 338.794 4.050 0 40 EIAB CC(C)NC(=O)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 387615 GGEOAMUDRYELJS-KRWDZBQOSA-N 341.842 4.262 0 40 EIAB Clc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1 531513 PHEKOOLTSWRPLB-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB Cc1cccc2cc3c(N)c(C(=O)N4CCC[C@@H](C)C4)sc3nc12 1342861 QZDXPPZZRJFNKK-LLVKDONJSA-N 339.464 4.212 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1OC 2512617 MMPXPJADJRTWDY-UHFFFAOYSA-N 325.408 4.154 0 40 EIAB CCN(CC)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 2736272 ZKMTXJAXEFVYCY-UHFFFAOYSA-N 326.440 4.113 0 40 EIAB COc1ccccc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3305923 BJHNZPPNRPKJOL-UHFFFAOYSA-N 347.455 4.029 0 40 EIAB Cc1cccc(C)c1OC[C@H](O)CN(CCC(C)C)CCC(C)C 3396613 PPIXNWJVCLYFLK-HXUWFJFHSA-N 335.532 4.437 0 40 EIAB Cc1cccc(C)c1NC(=O)COC(=O)Cc1cccc2ccccc12 3508258 STDOJWNLKWFIBT-UHFFFAOYSA-N 347.414 4.181 0 40 EIAB CC1(C)O[C@]2(C)CC[C@H]1C(=O)OC2(c1ccccc1)c1ccccc1 3845825 HVDYOZGDLMDFIE-GHTZIAJQSA-N 336.431 4.451 0 40 EIAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1 4241472 CPLWDBOWZBMZBV-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB COc1cc2nc(NC(=O)c3ccccc3Cl)sc2cc1OC 4479895 FUVZPJHFIPWOSF-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB O=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Cl 4767321 RNWJEPAZKHPGPV-UHFFFAOYSA-N 344.581 4.082 0 40 EIAB COc1ccc(Nc2ncnc3sc4c(c23)CC(C)(C)OC4)cc1 5478095 RRQLYBUEDDPJQJ-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB Cc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c(Cl)c1 5637374 FGCWDWZGNHEROQ-UHFFFAOYSA-N 345.826 4.379 0 40 EIAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 6938478 QELFRBJVLDCBNV-UHFFFAOYSA-N 345.446 4.094 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 6969538 PJVIJDOJALBBLI-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB COc1ccc(OC)c(-c2csc(COc3ccccc3)n2)c1 8042350 IBNAKTRFZAIAOZ-UHFFFAOYSA-N 327.405 4.406 0 40 EIAB Cc1nc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2nc1C 8061321 RFUVWPFMHIWIJS-UHFFFAOYSA-N 343.333 4.100 0 40 EIAB Cc1ccccc1-n1cnnc1SCc1cc(-c2ccco2)on1 8710705 QDPORXPCOZCUQR-UHFFFAOYSA-N 338.392 4.116 0 40 EIAB COc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OC(C)C 8729227 VHMDDLMLLXGORF-UHFFFAOYSA-N 337.803 4.001 0 40 EIAB CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C 8753061 CEWPTAYMEWANIJ-MGPUTAFESA-N 338.451 4.203 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 9232153 CEEPOOHRNIBJBW-QGZVFWFLSA-N 336.435 4.110 0 40 EIAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccc(F)cc1 11620718 NLNUBXAZXQPNEB-UHFFFAOYSA-N 347.821 4.130 0 40 EIAB O=C(CCc1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1 12615686 IYZKTCBMQCHISU-SFHVURJKSA-N 329.396 4.319 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1C 12782110 ZWTZWBNPYVMDEE-HUUCEWRRSA-N 340.467 4.396 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1C 12816756 BVIZMUVDWGNBAK-HNNXBMFYSA-N 333.435 4.289 0 40 EIAB CCc1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 12941342 PSBHNJASUHRYDB-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cccc(OCc3cscn3)c2)c1 12973455 XQKRIBORDUDLAK-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2c(C)cccc2C)c(C)n1 12988889 DITHFDMMTZIPBU-UHFFFAOYSA-N 329.469 4.003 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2c(C)cc(C)cc2C)c(C)n1 12997840 IXEWWKLKWHQBPK-UHFFFAOYSA-N 343.496 4.312 0 40 EIAB Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 13041293 OWZUZAIKDLBILM-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB CCOc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 13674070 BAILUVWYMWIBEE-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)CCc2ccco2)c1 14186076 XXPQQNAXVHKQSM-MRXNPFEDSA-N 329.440 4.228 0 40 EIAB Cc1ccc(CSCCNC(=O)c2cc3ccccc3o2)cc1 18202086 SFTVIDDOSZAUCX-UHFFFAOYSA-N 325.433 4.404 0 40 EIAB Cc1cnc2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]c2n1 19239394 BEVBGWDCKVOSRR-UHFFFAOYSA-N 340.858 4.299 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1cccc2ccccc12 19601129 IQWYLMUDUCNQQT-UHFFFAOYSA-N 327.330 4.371 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N 20344961 LHKGGLHCSJEDFF-SNVBAGLBSA-N 339.222 4.290 0 40 EIAB CCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 22623678 PFVJIODFSGCADG-QAPCUYQASA-N 346.515 4.043 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25929446 RKDRJKVUVNRXEF-UHFFFAOYSA-N 334.375 4.237 0 40 EIAB COc1ccccc1NC(=O)CSc1nc2cc(C)ccc2s1 27027879 MOGRVUCKTKHILR-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB Cc1cc(C)c2c(c1)SC1=N[C@@](O)(c3ccc(Cl)cc3)CN12 27546562 KLEPBMFPDYBXQZ-KRWDZBQOSA-N 330.840 4.084 0 40 EIAB O=C(COc1ccccc1)N(Cc1cccs1)c1ccc(F)cc1 27580253 ATWGUGQPPBRWRB-UHFFFAOYSA-N 341.407 4.499 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 30757102 ZATRSWKHMVIGPH-HNNXBMFYSA-N 329.465 4.271 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCO2 32398326 NZAQHACVIOYEAD-QGZVFWFLSA-N 329.421 4.138 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(C)c(C)n1C1CC1 32894144 KAAHECSHUZFGSQ-CQSZACIVSA-N 343.496 4.113 0 40 EIAB Cc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)[nH]c2C)c(C)c1 32932586 HRSJTRBZUDWPIL-UHFFFAOYSA-N 333.435 4.274 0 40 EIAB O[C@@H](CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 34879006 NLYDMZIZDAUGBL-WMZOPIPTSA-N 338.476 4.209 0 40 EIAB C/C=C/[C@H]1[C@@H](C(=O)OCc2c(F)c(F)c(C)c(F)c2F)C1(C)C 35930130 AGMMRUPNXPWLGF-PZIAFJOJSA-N 330.321 4.443 0 40 EIAB in-man C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 36760830 JIYVTFVWZQXOAQ-MRXNPFEDSA-N 336.410 4.379 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1cccnc1Oc1ccccc1 40090377 CNSLUQVBWYLOGN-UHFFFAOYSA-N 345.358 4.196 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccccc1 44843888 OZVWSGMIRJNHJW-LJQANCHMSA-N 325.452 4.210 0 40 EIAB Cc1noc(C)c1CN1CCC[C@H]1c1ccc(Br)cc1 52453270 NBEIXHPKPLDJPW-INIZCTEOSA-N 335.245 4.391 0 40 EIAB O=C(Nc1ccccc1)c1cccc(Cn2cnc3ccccc32)c1 54152591 QVFMGSUMRJZQKD-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB Fc1ccc([C@H](NCc2nc(-c3ccco3)no2)c2ccccc2)cc1 55855307 YBAOXSQFAGEKBK-LJQANCHMSA-N 349.365 4.348 0 40 EIAB Cc1ccccc1NC(=O)[C@H](c1ccccc1Cl)N1CCCC1 57234761 WIUCUUCKSXFMEV-SFHVURJKSA-N 328.843 4.424 0 40 EIAB CC(C)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 58029561 LEKDIABTIVPQKN-UHFFFAOYSA-N 339.464 4.329 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3c(C)cc(C)nc3C)cc2c1 58163416 OVSNQCJAALTNBE-UHFFFAOYSA-N 335.407 4.124 0 40 EIAB CCN(Cc1nc(-c2cccnc2)no1)[C@@H](C)c1cc2ccccc2o1 67458349 TZGNHUMUBFGJKU-AWEZNQCLSA-N 348.406 4.461 0 40 EIAB CCOCc1ccccc1NC(=O)N(C)CCCNc1ccccc1 69967060 FMUQSOHBCPIUPZ-UHFFFAOYSA-N 341.455 4.189 0 40 EIAB Cc1ccc(-c2nnc([C@H](C)N3CCC[C@H](C(F)(F)F)C3)o2)cc1 71837417 KCYLWFYTAFHEDH-JSGCOSHPSA-N 339.361 4.380 0 40 EIAB CC(C)c1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 72389916 RKGGJJGXCUWKKJ-LJQANCHMSA-N 348.450 4.245 0 40 EIAB COc1cc(NC(=O)c2ccc3cc[nH]c3c2)ccc1-n1cccc1 79474601 FBWKBRYVSLTKJK-UHFFFAOYSA-N 331.375 4.220 0 40 EIAB OC[C@H]1CCCCC[C@H]1Nc1nc(-c2cccnc2)nc2ccccc12 84593295 KUURZSQKMAORKH-SJLPKXTDSA-N 348.450 4.045 0 40 EIAB CCC[C@@]1(C(F)(F)F)CCCN1Cc1cccc(NC(C)=O)c1 89949961 RMWMOIMIGJYDTD-INIZCTEOSA-N 328.378 4.342 0 40 EIAB Cc1nc2cc(F)cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c2nc1C 95364754 BIZQXKIHXMVZRG-KDOFPFPSSA-N 341.430 4.181 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)c2cccs2)o1 96503265 WPTDRQWZLFDXQB-HIFRSBDPSA-N 348.468 4.138 0 40 EIAB O=C(NC(=S)Nc1ccccc1)C12CCC3C[C@H](C[C@@H](C3)C1)C2 100733044 CICPWWXJNUEUBB-YYHKSVKZSA-N 328.481 4.106 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCc2ccccc2Cl)ccc1Cl 113969556 JONPEUAWGQCDHN-GFCCVEGCSA-N 338.234 4.386 0 40 EIAB CC(=O)c1csc(C(=O)N2CCCSc3ccc(F)cc32)c1 190427700 PSLNRMCNBVGIAJ-UHFFFAOYSA-N 335.425 4.232 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(C)c1 224387526 DBRDPDMGXWLMDF-QFBILLFUSA-N 341.451 4.347 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]21 408626101 ZTLYRSSWKPGFQN-XYPYXGAPSA-N 348.229 4.251 0 40 EIAB Fc1ccccc1OCc1nc(SCc2ccccc2Cl)n[nH]1 409385925 ONRHZMYNMRGNEN-UHFFFAOYSA-N 349.818 4.469 0 40 EIAB O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CCC12CCOCC2 585409282 MXBMAARIBYNEGF-OAHLLOKOSA-N 342.266 4.001 0 40 EIAB C/C=C/c1cc(C)ccc1[C@H](C)[C@@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1 1772591477 YGJPBGVCODIPCC-CUICLLBDSA-N 342.435 4.263 0 40 EIAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 993399 WMJBVUJINOKYGE-GOSISDBHSA-N 345.398 4.107 0 40 EIAB CCN(C(=O)C1CCCCC1)c1nnc(-c2ccccc2C)s1 1345265 JAFSCKBJLMYFRF-UHFFFAOYSA-N 329.469 4.447 0 40 EIAB CCc1cccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 2160071 ZASXYDHFNHYNJL-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic Cc1ccc2nc(-c3cccnc3)c(Nc3ccc4c(c3)OCO4)n2c1 2468848 VUYXOBFHLJVYNA-UHFFFAOYSA-N 344.374 4.177 0 40 EIAB Cc1ccc(-c2nc(COC(=O)c3c(C)noc3C)cs2)cc1 3448602 OUJLSDNZAZTXLI-UHFFFAOYSA-N 328.393 4.080 0 40 EIAB Cc1cccc(Cn2cccc(C(=O)Nc3cc(C)ccc3C)c2=O)c1 5269702 CQTVLXQOBGXUJO-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1cccc(OCCOC(=O)/C=C/c2ccc3ccccc3n2)c1 6120479 FKYHXJSCYUKYFI-VAWYXSNFSA-N 333.387 4.179 0 40 EIAB CCn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 6226124 LLOAQVFWQCOTBQ-UHFFFAOYSA-N 343.427 4.308 0 40 EIAB COc1ccc(C)cc1NS(=O)(=O)c1cccc(Cl)c1Cl 6416070 QUPFJKGMFDLAHW-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cc1sc2ncnc(Oc3cccc4c3CCC[C@@H]4O)c2c1C 7467160 OTFPRWSWNGNUEX-AWEZNQCLSA-N 326.421 4.470 0 40 EIAB Fc1ccc(NC2=NN=C(c3cc4ccccc4o3)CS2)cc1 7849483 MVGOGOOXLJWVHB-UHFFFAOYSA-N 325.368 4.491 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSC1CCCCC1 8040863 YSYSAXZTAKNCSD-MRXNPFEDSA-N 339.476 4.165 0 40 EIAB Cc1ccccc1CNC(=O)c1sc(-c2cccs2)nc1C 8367360 UGIAHPSJXACXMH-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)NC3CCCCCC3)o2)cc1 10084477 HMBZBXKEZZRCKP-UHFFFAOYSA-N 326.440 4.422 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)OCCO2 10448730 JKIUSHKBJFOGEC-BUUCAEBMSA-N 343.810 4.002 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCCC2)cc1 11713193 VPPHSIGCRPVGQB-OAHLLOKOSA-N 345.439 4.120 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2cc(-c3ccccc3)ncn2)c1 12016681 WTFYBVWRGITVRO-UHFFFAOYSA-N 349.459 4.491 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 12582679 VJHROJIUNHRNMD-LBPRGKRZSA-N 346.390 4.017 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)c(OC)c1 12782466 DVWSIWVDLFWFNF-YFPIXMDGSA-N 337.419 4.081 0 40 EIAB CC[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 12933033 QSPRCYNLGQEUDT-WMZOPIPTSA-N 329.827 4.219 0 40 EIAB CCCc1noc([C@H](C)Sc2n[nH]c(/C=C/c3ccccc3)n2)n1 12978071 PPFVZLMJYZCGDF-IIANPFDCSA-N 341.440 4.164 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 13565487 LIQGXQPKBKGTSG-ZDUSSCGKSA-N 339.826 4.230 0 40 EIAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCCC1=CCCCC1 13943466 ZTCQQHABWFRBCK-QGZVFWFLSA-N 336.520 4.106 0 40 EIAB CSc1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)s1 14109416 VYDINITWPLNSSC-VIFPVBQESA-N 336.507 4.112 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC(C)C)c(OC)c1 14117522 ZAFUWRBLIMRCEN-UHFFFAOYSA-N 349.814 4.397 0 40 EIAB CCCCCc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1 15025430 HIUXLXVJQOQWGW-UHFFFAOYSA-N 325.412 4.162 0 40 EIAB Cc1cccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)c1 15831540 RGYWTEXKJPCOPQ-FQEVSTJZSA-N 328.500 4.256 0 40 EIAB CC(=O)OC[C@@]12CO[C@H](CCc3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 16027980 FVFIDPRIGRPKRH-HMNPXLOQSA-N 342.479 4.416 0 40 EIAB biogenic COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 17120454 CTFXMXBFPFFYKL-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 17976258 HCSFDGNFLGIIKS-RTBURBONSA-N 333.387 4.243 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20110521 JJKQCISVDSVHMQ-MRXNPFEDSA-N 325.408 4.220 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1Cl 22522510 ICYDMKFTBGBKFW-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1ccccc1[C@@H](C)N(C)C(=O)Cc1ccc2c(c1)CCCC2 25108969 TTYWXNHZBFTZHX-MRXNPFEDSA-N 337.463 4.336 0 40 EIAB COc1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)c(OC)c1 25291960 PQAVWPJKOMNWHM-UHFFFAOYSA-N 345.826 4.162 0 40 EIAB O=C(NCc1ccc(Br)s1)c1ccccc1Cl 25471967 BODVKQKKCRGDCX-UHFFFAOYSA-N 330.634 4.094 0 40 EIAB Cc1ccccc1OCC(=O)N(Cc1cccs1)c1ccccn1 27584642 YAZRQTWMNOGRRP-UHFFFAOYSA-N 338.432 4.064 0 40 EIAB CCCCN1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O 27792514 NWLPJBAKHYOIIK-MRXNPFEDSA-N 327.472 4.198 0 40 EIAB CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CCc2ccccc21 27823822 SBGQMHJUORCFEY-KVDXNUTJSA-N 343.430 4.031 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)Nc1c(F)cccc1F 28581377 PPCVYHWILVJHBM-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB c1ccc2sc([C@@H]3CCCCN3Cc3nc(C4CC4)no3)nc2c1 29431821 VKUFFMOPIZZHNJ-AWEZNQCLSA-N 340.452 4.284 0 40 EIAB Cc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)cc1C 31976139 MDYUUKSSXKQHDA-UHFFFAOYSA-N 346.452 4.039 0 40 EIAB CC(C)n1ncc2c(C(=O)OC3CCCCC3)cc(C3CC3)nc21 32674650 HYYZMYWXWRACHZ-UHFFFAOYSA-N 327.428 4.379 0 40 EIAB CCOc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1OC 33476402 GDTRWFMGBOKNKW-ZROIWOOFSA-N 329.783 4.240 0 40 EIAB Cc1ccccc1N(Cc1c(Cl)cccc1Cl)S(C)(=O)=O 33736558 SLMWFODETJZDIL-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 35319065 OAFOOXBWOCVLRR-GOSISDBHSA-N 347.418 4.033 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2cccc(F)c2)C1 36354803 VUHXXNQUXOTXQK-ZDUSSCGKSA-N 325.318 4.274 0 40 EIAB O=C(CCCc1cccs1)NCc1cccc(C(F)(F)F)c1 40160277 YTEQRXOAYVFEBM-UHFFFAOYSA-N 327.371 4.406 0 40 EIAB CSc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40266135 NJGYUTUSYLKRFD-HNNXBMFYSA-N 336.420 4.113 0 40 EIAB CCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 40487539 BEMLHIJRESTHLV-UHFFFAOYSA-N 344.422 4.299 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3ccncc3c2)cc1 41105021 XSHGHGDLGSNFJS-UHFFFAOYSA-N 326.421 4.159 0 40 EIAB Cc1cccc2nc(CS[C@@H](C)c3ccc(F)cc3)cc(=O)n12 45091112 PRBBTGQBAZAVDJ-ZDUSSCGKSA-N 328.412 4.136 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)CSc2ccccc2)c1 46182959 VMOYEMURAQUFEQ-UHFFFAOYSA-N 348.855 4.419 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)o1)c1cc2ccccc2s1 47927695 WTEBDXGUHQBKPH-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 51315393 LKUHLTQYVFVLEG-UHFFFAOYSA-N 335.407 4.345 0 40 EIAB O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@@H]1CCCO1 53748854 GGEWVPWDGXUNCQ-INIZCTEOSA-N 328.387 4.039 0 40 EIAB CCN(C(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)c1cccc(O)c1 58298818 NKHWAPAHTVRKTA-CYBMUJFWSA-N 326.396 4.210 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N(CCC(C)C)C3CC3)sc2n1 58419504 ZMACTWPBCJATNY-UHFFFAOYSA-N 331.485 4.267 0 40 EIAB CC(C)c1nnc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)o1 69445082 LEHJWRKQYPNMKR-UHFFFAOYSA-N 342.346 4.380 0 40 EIAB C[C@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H](c2ccccc2)O1 69569791 HCIAPUDCQYPYOG-KSSFIOAISA-N 341.476 4.229 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2Cl)cc1 72329167 OWAOSIMVUAARFE-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB Cc1cc([C@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)n[nH]1 78902545 SAWSHGZHFMYIBU-INIZCTEOSA-N 345.874 4.100 0 40 EIAB c1ccc(COc2cccc(Nc3cnc4ccccc4n3)c2)nc1 89878663 KZGJZPRQJSYWGG-UHFFFAOYSA-N 328.375 4.347 0 40 EIAB O=C1CCc2cc(NCc3cc(Cl)cc4cccnc34)ccc2N1 95428543 GHBNPWQJSYTMDJ-UHFFFAOYSA-N 337.810 4.385 0 40 EIAB CC[C@H](NC(=O)NCc1cccc(COC(C)C)c1)c1nccs1 96415285 ZIPJXGHLZDYVOU-INIZCTEOSA-N 347.484 4.019 0 40 EIAB Cc1noc(C)c1CSCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 96441248 SMEIMSWNNQRPLP-LRDDRELGSA-N 348.468 4.117 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)c(OC)c1 113970201 DGAKMNSPWQPMFX-INIZCTEOSA-N 343.423 4.117 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F 216469840 VDBKLPTWNSIDEM-AWEZNQCLSA-N 325.742 4.414 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 222836961 SQADHULYGJOLBO-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)Nc1cccc(F)c1 223139406 ZHMNHNVWFDEOQZ-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB CCCNC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224201030 KLTJYFQSGODRLV-UHFFFAOYSA-N 347.842 4.376 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)cc1 224988280 KWMDWMHBFXDEEF-UHFFFAOYSA-N 335.494 4.159 0 40 EIAB COC1(CNC(=O)c2ccc(-c3ccsc3)cc2)CCSCC1 225593650 IPKTWZCJJIZQHL-UHFFFAOYSA-N 347.505 4.057 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(C)n1)CC(C)(C)O2 225676422 DGTTUQFOOGXHDM-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB CO[C@@H](CNC(=O)CCCc1ccccc1)c1ccc(Cl)s1 225701271 DBFGAUHAYLZOKY-AWEZNQCLSA-N 337.872 4.228 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1)c1ccccc1 408981219 VJDJVSRGTRWBDO-INIZCTEOSA-N 346.814 4.156 0 40 EIAB CO[C@H]1CCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)c2ccccc21 1565556141 OARKLQJZZLEKKN-KRWDZBQOSA-N 349.421 4.073 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1 204336 DFWCZDAKJINNOO-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB O[C@H](CN1CCCCC1)CN1c2ccccc2Sc2ccccc21 351088 UEDNDOCCDJZUAB-MRXNPFEDSA-N 340.492 4.136 0 40 EIAB Cc1cc(C)c2nc(Cl)c([C@H]3NC(=O)c4ccccc4N3)cc2c1 421623 VWTJRPLEQWARJI-GOSISDBHSA-N 337.810 4.359 0 40 EIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1C 427366 FRVBDXSTXUPJBL-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB COc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1 494192 CXZBMPDUEFPIPW-UHFFFAOYSA-N 336.395 4.289 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12 560789 WDMZFUGZLIXBBV-UHFFFAOYSA-N 340.467 4.319 0 40 EIAB O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc2c1=O 715535 QFMUIXAYIIZLRC-UHFFFAOYSA-N 325.367 4.426 0 40 EIAB COc1ccc(CN(CC[C@@H](c2ccco2)C(C)C)C(C)=O)cc1 2093619 MQTLLSQUGQJODV-LJQANCHMSA-N 329.440 4.467 0 40 EIAB biogenic Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1C 3215015 ZPWJJMFNGSWHHY-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C/c1cccc(Cl)c1 3248351 MBCACCZPLPBASO-RIYZIHGNSA-N 349.720 4.286 0 40 EIAB O=C(CNc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 3413293 VNCHNVXDQIQZCW-UHFFFAOYSA-N 331.149 4.322 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)o1 3662528 FQRJLRQWVCYBSP-UHFFFAOYSA-N 349.799 4.022 0 40 EIAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3C=C12 4028446 MWMPYXXDHZQTTO-VALFRTSSSA-N 343.511 4.343 0 40 EIAB biogenic O=C(O)CCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12 5158479 XVVQJTCYOQAOIA-UHFFFAOYSA-N 347.374 4.320 0 40 EIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1 5244112 NEYMWAIASZXTHE-UHFFFAOYSA-N 336.410 4.402 0 40 EIAB CCCCCCNc1nc2sc3c(c2c2ncnn12)CCCC3 5557493 DSADGNLXPOBUCY-UHFFFAOYSA-N 329.473 4.210 0 40 EIAB O=C1N(Cc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F 5578615 CDVRSMZGLWUNTM-CQSZACIVSA-N 341.279 4.424 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 5598794 QWDZOYRPQRMRTK-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB CCOC(=O)C[C@]1(c2cccc3ccccc23)OC(=O)c2ccccc21 5829689 JQIRIJZGQULFRC-JOCHJYFZSA-N 346.382 4.207 0 40 EIAB COc1cc(/C=C/C(=O)NC2CCCCCC2)ccc1OC(F)F 6580806 CWINUVFUGIQWHE-PKNBQFBNSA-N 339.382 4.149 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(CC(C)C)c1Cl 7778856 UDYSVPFHGNAESP-UHFFFAOYSA-N 345.874 4.402 0 40 EIAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccco1 8360386 UKHAHJDIOLTTDJ-LBPRGKRZSA-N 340.404 4.084 0 40 EIAB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)O 8368504 RGEOJGPBBMNJNC-AWQFTUOYSA-N 347.798 4.179 0 40 EIAB COc1cccc(CNC(=O)COc2ccc(-c3ccccc3)cc2)c1 8379034 NJYPYPMKPVGEKT-UHFFFAOYSA-N 347.414 4.057 0 40 EIAB CCc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)cc1 8914821 LTCCRWLMNDRBTM-UHFFFAOYSA-N 340.814 4.127 0 40 EIAB CCCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 9166133 BUVYZAXUYZGRLE-UHFFFAOYSA-N 328.441 4.231 0 40 EIAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10542506 FELABKNSNXLWNI-OAHLLOKOSA-N 341.451 4.190 0 40 EIAB COc1ccccc1C1(NCc2cnc(C(C)C)nc2)CCCC1 12328773 CFZRRMOGVVIHIQ-UHFFFAOYSA-N 325.456 4.168 0 40 EIAB COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccccc2)nc1C 12535208 GBESFVCQWDOWSP-UHFFFAOYSA-N 343.386 4.387 0 40 EIAB CN(C)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12555172 DUHHXRCRBLMMDV-SFHVURJKSA-N 328.843 4.287 0 40 EIAB CN1CCN(c2ccc(NC(=O)CCCC3CCCCC3)cc2)CC1 12599186 XYPOUBWLDUYTDV-UHFFFAOYSA-N 343.515 4.128 0 40 EIAB CC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 12878776 OHLYBTJKTJJTQR-JXMROGBWSA-N 337.423 4.050 0 40 EIAB Cc1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc2o1 12925005 DZPNUSDYTIUYCF-JTQLQIEISA-N 330.771 4.196 0 40 EIAB CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)c1ccc(O)cc1C 13564212 YYUWPQHVVPNYAV-UHFFFAOYSA-N 336.435 4.185 0 40 EIAB C[C@@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1ccncc1 13565466 WSPMMDZMJDJSRR-CQSZACIVSA-N 343.386 4.381 0 40 EIAB O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCc2ccccc21 13690680 JDUOVHSCXZYUHB-UHFFFAOYSA-N 345.427 4.290 0 40 EIAB CS(=O)(=O)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 14184516 VQYZHBCBEGTTFS-UHFFFAOYSA-N 348.424 4.096 0 40 EIAB COc1ccccc1CCC(=O)N[C@H]1CCSc2ccc(F)cc21 14244109 HARDONHZPAZRQE-INIZCTEOSA-N 345.439 4.120 0 40 EIAB Fc1ccc(CCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 17071507 NOBNKLNUIKTLLL-UHFFFAOYSA-N 342.361 4.374 0 40 EIAB Cc1ccc(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)s1 17297712 CDPYPVNAXVLYSC-UHFFFAOYSA-N 335.856 4.032 0 40 EIAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@H]4C3)c2c1 19345163 CGLBQXCRGUSAEM-BXWFABGCSA-N 339.483 4.427 0 40 EIAB CC(C)[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 24014504 VYFMCCSXYJMYAG-SFHVURJKSA-N 341.842 4.063 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCCCC2)cc1 27662481 VMOGOPIFUCAPFH-OAQYLSRUSA-N 336.479 4.342 0 40 EIAB Fc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 28807133 UWHBAZVUTKSTNF-UHFFFAOYSA-N 349.818 4.435 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)NCc1nc2ccccc2s1 29677139 OSVIWUXGBPZHLZ-CYBMUJFWSA-N 325.437 4.165 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Cl)c1 30851436 WMPBXDQKIXWIAZ-BJMVGYQFSA-N 347.773 4.308 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(F)cc1F 32652344 RHFKYNTWAQIWET-UHFFFAOYSA-N 344.386 4.193 0 40 EIAB O=C(CCn1ccc2ccccc21)NCCSCc1ccccc1 32748150 ORSHQJLTRAVRKY-UHFFFAOYSA-N 338.476 4.081 0 40 EIAB FC(F)(F)c1cccc([C@@H]2C=C(c3ccccc3)NC(=S)N2)c1 35023168 JUEMCAVLFASREK-HNNXBMFYSA-N 334.366 4.265 0 40 EIAB Brc1ccccc1NCc1cnn(Cc2ccccc2)c1 35624202 OFPMRDJYRDSMPD-UHFFFAOYSA-N 342.240 4.306 0 40 EIAB CC[C@H](NC(=O)c1cc(C2CC2)[nH]n1)C12CC3CC(CC(C3)C1)C2 36613841 QSTCZPNAWCZGET-HLJROMEYSA-N 327.472 4.012 0 40 EIAB CC(=O)OC[C@]12CO[C@@H](CCc3ccccc3)[C@H](C(C)=C[C@H]1C)[C@H]2C 38545657 FVFIDPRIGRPKRH-BVNLLZHESA-N 342.479 4.416 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c(C)c1 38856038 IFZCKBLATFWZED-HXUWFJFHSA-N 336.479 4.463 0 40 EIAB c1ccc(-c2nnc(CN(Cc3ccco3)Cc3ccco3)o2)cc1 40466148 JZBYYHLLDAOPAP-UHFFFAOYSA-N 335.363 4.125 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 49447523 OECXTYZHYYZXBK-UHFFFAOYSA-N 342.414 4.286 0 40 EIAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccc(F)cc1 57413727 XSJDWHZVVIWMLI-NSHDSACASA-N 343.789 4.360 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccco2)c2ccccc2)c1C 57659896 DOFYAXPWHYQHNU-UHFFFAOYSA-N 336.391 4.274 0 40 EIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1nc(C(C)(C)C)cs1 61719385 MMYUOAJPTPPUNU-UHFFFAOYSA-N 346.481 4.249 0 40 EIAB CCO[C@@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 67356684 PMJHNPSRLNROBK-GFCCVEGCSA-N 330.400 4.034 0 40 EIAB Cc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1 71977868 QKEWYMLEOGMEEK-UHFFFAOYSA-N 340.224 4.464 0 40 EIAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccc(C)cc4)C3)n2)cc1 72369920 QRJOOWAONKNQRP-GOSISDBHSA-N 349.434 4.043 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 75106626 UBTPKXWOYIAHBL-HUUCEWRRSA-N 335.856 4.130 0 40 EIAB CCOCCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 80345618 LTWNIXQTBMXBEM-UHFFFAOYSA-N 348.855 4.205 0 40 EIAB O=C(c1ccc(Cl)cc1)c1ccccc1CN1CCSCC1 85651653 OEYURYYFXMYYIS-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB O=C(CCc1nc(-c2ccncc2)no1)c1csc2ccccc12 88337166 KFZARLHFTJOHBS-UHFFFAOYSA-N 335.388 4.162 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N(CC3CC3)C3CCCCC3)c2)o1 89736403 JHEOXBQXUNUYQX-UHFFFAOYSA-N 339.439 4.230 0 40 EIAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc2[nH]ccc12 89993735 JGQMGMYFRRDWOI-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB CC(C)C(=O)Nc1nnc(C(c2ccccc2)c2ccccc2)s1 95116292 TXLSSCOVTTYSRX-UHFFFAOYSA-N 337.448 4.313 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1Cl 95412389 BPOJAMCMMIKRJG-CQSZACIVSA-N 331.799 4.119 0 40 EIAB Cc1c(COC(C)C)cccc1NC(=O)N(CC(F)F)C(C)C 95426831 BAFVSFXYDMVPBB-UHFFFAOYSA-N 328.403 4.427 0 40 EIAB Cc1cc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)no1 95985335 LLPSSGMERDRMBW-CYBMUJFWSA-N 327.359 4.160 0 40 EIAB FC1(F)CCN(Cc2ccco2)C[C@@]12CCN(c1ccccc1)C2 96051094 RIGYEYZIUGNFLB-GOSISDBHSA-N 332.394 4.017 0 40 EIAB Clc1ccc(C2=C[C@@H](c3ccco3)n3ncnc3N2)c(Cl)c1 101129590 VESASEZZFAZCGU-ZDUSSCGKSA-N 333.178 4.234 0 40 EIAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 103105266 ADVIKGVDQKCZQQ-IUCAKERBSA-N 330.598 4.016 0 40 EIAB O=C(CC(F)(F)F)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163642009 DNFOSAJCCKSAOG-UHFFFAOYSA-N 334.341 4.192 0 40 EIAB CCOc1ccccc1CCCNC(=O)Nc1ccc(Cl)cc1 222634259 VQZQRCKVEJDREM-UHFFFAOYSA-N 332.831 4.493 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)cc1Cl 223008392 QHUFWDDXCFQRSQ-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592379 LLKULEUXVSKDPL-HOTGVXAUSA-N 332.488 4.028 0 40 EIAB CCOc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787113 IMAGOSLRLLIRFQ-UHFFFAOYSA-N 336.229 4.351 0 40 EIAB CCc1nc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2n1C 225896598 NWLOMSRYZRTDHA-UHFFFAOYSA-N 327.815 4.350 0 40 EIAB CCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c2ncccc12)C1CC1 225902773 ZKAJPTRRAFCTNQ-HXUWFJFHSA-N 342.439 4.166 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCCC1 226330101 IJNKSJWTUMLDMJ-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(Br)c1 226817996 HFPNPYGEHBRNLR-OAHLLOKOSA-N 347.212 4.048 0 40 EIAB CCCOc1cccc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)c1 227116183 ITYNHENLFBPZNC-UHFFFAOYSA-N 335.407 4.222 0 40 EIAB C[C@@H]1C[C@H](O)[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CCc1ccoc1 253388207 XWKYXEIGWQYOCY-GYGOWQKVSA-N 332.440 4.047 0 40 EIAB biogenic,in-vitro Cc1nc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)oc1C 253426283 GMRJUHXWKZZHLN-GOSISDBHSA-N 327.815 4.219 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 331815409 OLKMCJIHRDQONS-SLEUVZQESA-N 335.398 4.202 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Nc1c(F)cccc1F 390830039 IJHXMDJYOADUGC-LLVKDONJSA-N 330.334 4.464 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]21 408626099 ZTLYRSSWKPGFQN-WVATUKLVSA-N 348.229 4.251 0 40 EIAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CCc1ccccc1 409202915 UGVKZYHDRXDMIP-FOWTUZBSSA-N 327.380 4.105 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CCCO1 543428876 HNOTUDVFMDDQRB-QAPCUYQASA-N 331.460 4.074 0 40 EIAB O=C(CCC1CCCCC1)N[C@@H]1CCc2ccccc2-n2ccnc21 1539798850 GTGZGXRGAHGKRI-GOSISDBHSA-N 337.467 4.336 0 40 EIAB Cc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@H](C2)C3(F)F)cc1Cl 1668522011 BADCECVASKHOBM-UWVGGRQHSA-N 335.181 4.421 0 40 EIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1 150192 LFJUNBRYJGOXMH-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1F 190395 DQIPLGHCJBRKLZ-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB Cc1ccc(CSc2nnc(CNc3ccc(F)cc3)o2)cc1 422086 VJOHGXBGOSLCJS-UHFFFAOYSA-N 329.400 4.422 0 40 EIAB Nc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 1105846 PBHTXGZZYJTAFA-UHFFFAOYSA-N 335.841 4.360 0 40 EIAB Cc1cc(NC(=O)C(=O)Cc2nc3ccccc3s2)ccc1Cl 1624457 DQNZKGBDDDYSKS-UHFFFAOYSA-N 344.823 4.008 0 40 EIAB COc1ccc(C)cc1NC(=O)CCCOc1ccc(C)cc1C 1914130 XFYDTEYGPLLDBG-UHFFFAOYSA-N 327.424 4.418 0 40 EIAB CCCCOc1ccc(C(=O)Nc2nnc(SCC)s2)cc1 2027710 IYJANNFECLFODI-UHFFFAOYSA-N 337.470 4.081 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl 2631121 PMKOIFYHVJUWJW-UHFFFAOYSA-N 333.218 4.334 0 40 EIAB O=C(COc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 2742001 VDLMHPPXJPPWLY-UHFFFAOYSA-N 344.823 4.481 0 40 EIAB COc1ccccc1N1CCN(C2=Nc3cccc4cccc2c34)CC1 3207537 DENNXQPJKIGNPY-UHFFFAOYSA-N 343.430 4.062 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCc2ccccc21 3326812 IOEJZRHOEAUCCS-GOSISDBHSA-N 332.403 4.457 0 40 EIAB Cc1cc(C)n2nc(SCc3cccc(C(F)(F)F)c3)nc2n1 3356115 RKECHQGYOAZJIR-UHFFFAOYSA-N 338.358 4.052 0 40 EIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OC(F)F 3406251 JPVGWKOKWQIMHA-LCYFTJDESA-N 349.720 4.286 0 40 EIAB Cc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)c(C)c1 4086831 JCNOYLRNYNDTHV-QHCPKHFHSA-N 349.498 4.180 0 40 EIAB COc1cccc2sc(NC(=O)c3ccc4ncsc4c3)nc12 4088318 JMMUJKZJBWFFRG-UHFFFAOYSA-N 341.417 4.167 0 40 EIAB CC(=O)COc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1C 4586264 ZVSHCFWHPULWOJ-UHFFFAOYSA-N 348.354 4.482 0 40 EIAB biogenic CCOc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 5296187 UCXHAAWCZILIDX-MRXNPFEDSA-N 349.430 4.495 0 40 EIAB CCOCCOC(=O)[C@@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 5410937 PWKYPJDPMRLTAV-MRXNPFEDSA-N 328.408 4.009 0 40 EIAB Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)oc2ccc(Cl)cc12 5451522 DQRRGTCGERSKFS-CQSZACIVSA-N 346.814 4.020 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5556492 SDSILJUOFGDETE-UHFFFAOYSA-N 326.440 4.190 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(F)cc1F 5654622 IVUXNBKXKNOWCZ-NSHDSACASA-N 343.329 4.183 0 40 EIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1 6788844 KUSJXYFEUQDOAC-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB O=C(Cc1cccc2ccccc12)OCc1ccc(-n2cccn2)cc1 7254624 HXIKWSIGZIXOOQ-UHFFFAOYSA-N 342.398 4.311 0 40 EIAB Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c(C)n1C1CC1 7575620 OBLSIYJIEVBILO-UHFFFAOYSA-N 336.391 4.452 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1 8076721 IGWXPBMSSPWXHE-UHFFFAOYSA-N 336.160 4.043 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 11170367 DTARVFPAUUZYFC-KBPBESRZSA-N 347.842 4.383 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 11206897 HXDXLAWJPRYBAQ-FZKQIMNGSA-N 329.827 4.375 0 40 EIAB CCc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12561449 YAVOQSJAHXWYJA-NSHDSACASA-N 327.453 4.337 0 40 EIAB O=C(COc1ccccc1F)N[C@@H](c1ccc(Cl)cc1)C1CC1 12891528 FAVJIJAUSJVDKH-GOSISDBHSA-N 333.790 4.125 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)cc1 12949830 IGJROBULCVXYHC-DAYGRLMNSA-N 345.483 4.224 0 40 EIAB CCc1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 12975503 UCAZCQBVMJXYFW-HXUWFJFHSA-N 334.419 4.152 0 40 EIAB CC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Br 12975599 MLTRSGQEBHUSSO-ZHACJKMWSA-N 344.208 4.304 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1OC 14396716 KDOYHIADCNOWSJ-INIZCTEOSA-N 349.814 4.153 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14401383 OALQZHMCUXMHSX-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)C(=O)c1c[nH]c2ccccc12 15014199 KHFXJGITPDGHBF-UHFFFAOYSA-N 333.174 4.296 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSc1ccc(Cl)cc1 15966632 OQRVBGTWWXZPOV-GFCCVEGCSA-N 335.856 4.318 0 40 EIAB Cc1cc(S[C@@H](C)C(=O)N(C)c2ccccc2)nc(C(C)C)n1 16454199 NOCPDGCBGRBSHS-AWEZNQCLSA-N 329.469 4.052 0 40 EIAB Cc1ccc(-n2ncc3c(N4CCC[C@@H](C)C4)ncnc32)cc1Cl 17120856 IFWBVMSZFZLUAG-GFCCVEGCSA-N 341.846 4.014 0 40 EIAB COCCOc1ccc(CNc2cccc(OCC(C)C)c2)cc1 19738309 DPMIWRLGIYSKHD-UHFFFAOYSA-N 329.440 4.359 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccccc1 20042821 WZKQNAQPDSXPHP-KBXCAEBGSA-N 329.465 4.443 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(C)c1)NCC2 20506898 WTVGYFTYGISDAS-OAQYLSRUSA-N 341.451 4.036 0 40 EIAB biogenic Nc1c(Cl)cc(NC(=O)Cc2ccc3c(c2)CCC3)cc1Cl 24152076 NJLOLJHVSSWUGV-UHFFFAOYSA-N 335.234 4.246 0 40 EIAB Cc1cc(Sc2ccccc2Cl)n2nc(C(F)(F)F)nc2n1 24832438 ATSAOSCZMOLOMK-UHFFFAOYSA-N 344.749 4.256 0 40 EIAB O=C(CN(C1=NCCS1)c1ccc(Cl)cc1)c1cccs1 26506056 RHAHANAZQJUYOY-UHFFFAOYSA-N 336.869 4.194 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1cc(-c2ccccc2)n[nH]1 28243773 ZSFNPINDJGBYEJ-UHFFFAOYSA-N 343.386 4.247 0 40 EIAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1C 28667494 WSDFRWITOXXHPO-CYBMUJFWSA-N 339.391 4.249 0 40 EIAB Cc1ccc(C)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 28942675 GVVMXKBIUAPVIL-UHFFFAOYSA-N 327.468 4.076 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)[nH]c2c1 32759069 IHCZRCHLWQGCEF-UHFFFAOYSA-N 330.771 4.091 0 40 EIAB COC(=O)c1c(CCc2ccc(Br)cc2)cccc1OC 35973622 CZHHSSWEPYAVET-UHFFFAOYSA-N 349.224 4.030 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 36366451 BYBBRQREVWLDMF-CQSZACIVSA-N 337.354 4.144 0 40 EIAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)c1 36635373 HWKPCECTJXEORO-HNNXBMFYSA-N 349.217 4.046 0 40 EIAB C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccncc1 36664327 SSFNBCACCGBTDD-GFCCVEGCSA-N 349.415 4.442 0 40 EIAB Cc1nc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cs1 38735368 BXOBPSIBCLVJCT-UHFFFAOYSA-N 340.433 4.080 0 40 EIAB c1ccc(COC2CCN(Cc3nc4ccccc4s3)CC2)cc1 40018031 IXHOAHZBVGXOIX-UHFFFAOYSA-N 338.476 4.478 0 40 EIAB COc1cc(OC)c(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl 40086342 WWHHHSNXNIPVJD-VIFPVBQESA-N 339.823 4.211 0 40 EIAB COc1ccc(-c2nc3cc(C)cc(Br)c3o2)cc1N 40542271 UNCPAFPEERAAGS-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB CCN(CC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12 41292603 NGYVKVGLZYOGMM-UHFFFAOYSA-N 341.842 4.066 0 40 EIAB O=C(NCc1ccccc1F)Nc1ccccc1SC(F)F 43552768 FXNBSBPGUIVTGM-UHFFFAOYSA-N 326.343 4.462 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3cccc(N4CCCC4=O)c3)cccc2c1C 44897546 YHPXQOQZAUAEHM-UHFFFAOYSA-N 347.418 4.164 0 40 EIAB O=C(c1ccccc1Cl)N(Cc1cccnc1)Cc1ccco1 57994733 KVXJMTVPGFVRTK-UHFFFAOYSA-N 326.783 4.171 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C 58414433 HACZHFWEGWXYGL-ZBFHGGJFSA-N 325.412 4.222 0 40 EIAB COc1cccc(C[C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 58424070 WDPPDHWKBUEPGW-OAQYLSRUSA-N 347.462 4.088 0 40 EIAB COc1ccc([C@@H](C2CC2)n2c(=S)[nH]c3ccccc3c2=O)cc1 73123958 UDDBFCIRONZBFT-QGZVFWFLSA-N 338.432 4.067 0 40 EIAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)c(C)o1 75602439 AMRCOYDTRVKAHQ-ABAIWWIYSA-N 349.862 4.059 0 40 EIAB Cn1cccc1-c1csc(NC(=O)C2(c3ccccc3)CCC2)n1 84321878 ZXTNWMOOLLSTIZ-UHFFFAOYSA-N 337.448 4.209 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)c(F)c1 85651272 ICTUXUMKIGBACQ-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB CN(Cc1cc2ccccc2o1)C(=O)N[C@@H](c1nccs1)C1CC1 89350832 CSVSMBCTDVHTHY-MRXNPFEDSA-N 341.436 4.182 0 40 EIAB COc1ccccc1-c1cccc(NC(=O)NCCc2ccncc2)c1 89481879 SRRLIDFAVLSFMS-UHFFFAOYSA-N 347.418 4.121 0 40 EIAB CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2cc[nH]n2)cc1 95949664 LRPZLXJJIDCGKG-UHFFFAOYSA-N 325.437 4.189 0 40 EIAB Cc1nc(CN(C)[C@H](C)c2nc(-c3ccccc3C)no2)cs1 95962833 FENPAYOUQFERIQ-GFCCVEGCSA-N 328.441 4.003 0 40 EIAB CC(C)[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1ccccc1 96013055 YZPGYFVPKFQLDG-SFHVURJKSA-N 349.438 4.001 0 40 EIAB COc1ccc2cc(C(=O)N3CCC(c4cccs4)CC3)[nH]c2c1 96120592 XXJYQXDIJQIFQY-UHFFFAOYSA-N 340.448 4.258 0 40 EIAB CC(C)c1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cs1 96154834 KMJSWRDXWHDDCA-UHFFFAOYSA-N 339.464 4.422 0 40 EIAB CN(C(=O)Nc1c(F)cccc1Oc1ccccc1)C1CCOCC1 96445970 NJJKRBLYTQLURL-UHFFFAOYSA-N 344.386 4.261 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@H](c2cccs2)C1 102558274 JFNNVHXBXRIYSL-UGSOOPFHSA-N 348.431 4.405 0 40 EIAB CCOc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 113946573 KWCLWMMFADGJAU-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C1N=N1 118924246 IEVSFXLZSHRGPR-OSQVXGLNSA-N 342.483 4.287 0 40 EIAB CN(CCOc1ccccc1C(=O)O)Cc1csc2ccccc12 183913475 WSFHMRSEHDGDQF-UHFFFAOYSA-N 341.432 4.110 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(F)cc2)c1 224832205 OJCYJSIJQYXDEC-HXUWFJFHSA-N 343.442 4.424 0 40 EIAB O=C(NCCSCc1c(F)cccc1Cl)c1cccc(F)c1 224955453 IBNZTAMUWGLESW-UHFFFAOYSA-N 341.810 4.281 0 40 EIAB C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(F)cc1 225617961 KUMHZXZRWXSZJM-NSHDSACASA-N 336.204 4.008 0 40 EIAB O=C(Nc1ccccc1Cl)c1snnc1-c1ccc(F)cc1 225778218 XLANTQJBEUNRSA-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 534918456 BBQCPNIRLSETAF-MRXNPFEDSA-N 339.435 4.446 0 40 EIAB Cc1ccc(-c2noc(CNc3ccc(Br)cc3)n2)cc1 203388 OUBJTMXECOCYON-UHFFFAOYSA-N 344.212 4.420 0 40 EIAB Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 358811 DURPXMBYFPEAGY-UHFFFAOYSA-N 326.465 4.419 0 40 EIAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NC(C)(C)C 416698 ADJJBRMGQQJKCY-UHFFFAOYSA-N 330.497 4.421 0 40 EIAB O=C(/C=C/c1ccco1)NC(=S)Nc1cc(Cl)cc(Cl)c1 503110 XGAJOCYGRSRVCD-ONEGZZNKSA-N 341.219 4.113 0 40 EIAB CC[C@@H](C)N(CCNc1cc(OC)cc2cccnc12)CC(C)C 1656125 KQFSDLYYUUBGSE-MRXNPFEDSA-N 329.488 4.412 0 40 EIAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1cccs1 3269270 DZGLPSGIDPORJV-UHFFFAOYSA-N 332.396 4.125 0 40 EIAB Cc1cc(C(=O)CSc2nncs2)c(C)n1Cc1cccs1 3413044 ZXGBFPVGQQCPRT-UHFFFAOYSA-N 349.506 4.041 0 40 EIAB CC(C)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655540 SZPIPPMFXMBRHQ-UHFFFAOYSA-N 325.339 4.397 0 40 EIAB O=C(c1ccccc1F)N1CCN=C1SCc1ccccc1Cl 4120272 QUJGTZFBTNQQSQ-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)c1 4926625 PIXYJPKBEYFXCK-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CC(C)C 5136916 QWDIDEQIUCFEEI-UHFFFAOYSA-N 336.888 4.477 0 40 EIAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 5273901 DJPZSBANTAQNFN-UCGFNCKJSA-N 330.468 4.450 0 40 EIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc2ccccc2o1 5446976 NTQOHBOQTGDRHH-MJGOQNOKSA-N 346.430 4.189 0 40 EIAB CCCN[C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5671779 QJQNWJDSSHGFLX-GOSISDBHSA-N 335.403 4.107 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 6455197 WCDKJXUJAFXWJF-OPYAIIAOSA-N 339.479 4.356 0 40 EIAB CCN(CC)C(=O)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 7676177 CVWHEKAGFRXLMB-QGZVFWFLSA-N 339.464 4.265 0 40 EIAB O=C(Nc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 8004157 WEISBDAYRKMFFB-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB CCCc1cc(NCc2ccccc2)n2nc3nc(C)cc(C)c3c2n1 8843994 OAUFQIHFTYQKDC-UHFFFAOYSA-N 345.450 4.459 0 40 EIAB CCCCc1nc2sc3c(O)[nH]c(=S)nc3c2c2c1CCC2 9046175 ADRDKNOUXVJAKZ-UHFFFAOYSA-N 331.466 4.439 0 40 EIAB O=C(Nc1ccccc1F)C1CCN(Cc2cccc(Cl)c2)CC1 9063292 RZSABFKOIXHAKC-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccn1 9365011 FPEIQDBUVOOLFB-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)N1CCc2sccc2C1 10885040 OAWGBDGBRUHBJI-UHFFFAOYSA-N 342.247 4.019 0 40 EIAB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)cc1OC 12185836 VCTRLLUMDJQKGS-QGZVFWFLSA-N 330.428 4.118 0 40 EIAB COc1ccc(CN2Cc3cc4ccc(C)cc4nc3OC2=O)cc1 12236777 ZHEYKEWXOOQYKT-UHFFFAOYSA-N 334.375 4.066 0 40 EIAB O=S(=O)(c1cccs1)N(Cc1ccccc1)c1ccccc1 12794612 UVTWKOJSOWVJQC-UHFFFAOYSA-N 329.446 4.144 0 40 EIAB Cc1ccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)cc1C 13085968 CIHJQMAOIDYLIM-UHFFFAOYSA-N 349.386 4.172 0 40 EIAB CC(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 14258077 CNEYGMRYJIVJMW-UHFFFAOYSA-N 331.169 4.216 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=S)Nc2ccccc2)c1 15590171 YPYIJFIFYFGMOM-QGZVFWFLSA-N 342.464 4.238 0 40 EIAB COc1ccc(C[C@H](NCc2ccncc2)c2ccc(OC)cc2)cc1 17317787 DKDDJOYZJOXQBO-QFIPXVFZSA-N 348.446 4.172 0 40 EIAB CC(=O)Nc1ccc(CC(=O)Oc2ccc(C(C)(C)C)cc2C)cc1 18119420 QOVZXEQRTPUJHS-UHFFFAOYSA-N 339.435 4.399 0 40 EIAB CCOC(=O)c1sc2ncnc(Nc3ccccc3C)c2c1C 19926680 VZQKSOAUONJRHV-UHFFFAOYSA-N 327.409 4.228 0 40 EIAB Clc1ccc([C@H](Cc2ccccc2)N[C@@H]2CN3CCC2CC3)cc1 20358202 MQPKSHNJHJHMPA-LEWJYISDSA-N 340.898 4.308 0 40 EIAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(F)c2)c1 21596223 DGGOQTUNJFJCFX-LLVKDONJSA-N 346.427 4.172 0 40 EIAB Cc1nc(N)sc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 22121331 FMTSMKHLOWDFNB-UHFFFAOYSA-N 327.196 4.058 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccc(C)cc1 22912981 HZUWZYGIHQPFJK-GJZGRUSLSA-N 329.465 4.362 0 40 EIAB COc1ccc(NC(=O)NCCSc2ccc(Cl)cc2)cc1 23233668 HAYOFGZOMYTNRH-UHFFFAOYSA-N 336.844 4.262 0 40 EIAB Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)c2ccccc2n1 27935336 NDPYVMZWCOSTFP-UHFFFAOYSA-N 332.403 4.049 0 40 EIAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 29408324 INVDIDBPNYGGOO-CYBMUJFWSA-N 332.831 4.405 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c1 32755839 ZRGDIPKMUMFLIE-UHFFFAOYSA-N 337.341 4.017 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)C1 36352562 NWUHKFPNPPQVRR-ZDUSSCGKSA-N 325.318 4.274 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2)cc1 36360697 RDEFKBUMRAHTBC-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CC(C)CSCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 39983354 YNIHWSOSDDEZNR-QGZVFWFLSA-N 337.485 4.482 0 40 EIAB CC(C)c1ccc(NC(=O)N2CCN(Cc3ccsc3)CC2)cc1 40096998 KSGOSJNPQHDZBF-UHFFFAOYSA-N 343.496 4.221 0 40 EIAB O=C(NCc1cccs1)Nc1cccnc1Oc1ccccc1 40121149 GGWCYWLKKRAVNH-UHFFFAOYSA-N 325.393 4.257 0 40 EIAB CCOCc1ccccc1NC(=O)N(C)Cc1ccc(OCC)cc1 52468719 MOFIRGJPXDRRAA-UHFFFAOYSA-N 342.439 4.286 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1 67263907 RKQWUAUNJWCATH-AWEZNQCLSA-N 341.411 4.132 0 40 EIAB CC(C)n1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2c1=O 70666521 WKVVCAJLCNXRPX-UHFFFAOYSA-N 345.402 4.316 0 40 EIAB biogenic Fc1ccc(Cc2noc(OCc3c(F)cccc3Cl)n2)cc1 78672254 CDDXNVXBHODZRH-UHFFFAOYSA-N 336.725 4.171 0 40 EIAB COC[C@@H]1CCCN(C(=O)Nc2ccccc2-c2cccs2)C1 79101316 SXJBVOVEWMIWAN-CQSZACIVSA-N 330.453 4.305 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 79320665 HUKIDKDCCLNDOL-YVEFUNNKSA-N 345.874 4.158 0 40 EIAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc(F)c3)ncc2C1 89642976 KTRBJROWFKZBEQ-AWEZNQCLSA-N 327.403 4.019 0 40 EIAB O=C(c1scnc1C1CC1)N1CCC[C@H](c2ccccc2)CC1 89814302 SLWZKXFENFIVNI-HNNXBMFYSA-N 326.465 4.430 0 40 EIAB O=C(O[C@@H](c1ccncc1)c1ccc(F)cc1)c1cccc2cn[nH]c12 95947511 NQPMCQMBHPXYSL-LJQANCHMSA-N 347.349 4.043 0 40 EIAB O=C(c1ccccc1)N1CCCCc2c(Br)cccc21 96009679 KCVMJQFMHSBFBJ-UHFFFAOYSA-N 330.225 4.432 0 40 EIAB COc1ccc(C)cc1CNc1cc(C[S@](C)=O)ccc1Cl 96453609 DVMSXTQGJDHMGJ-JOCHJYFZSA-N 337.872 4.148 0 40 EIAB Clc1ccc([C@H]2C=C(c3ccccc3)Nc3nnnn32)c(Cl)c1 100679692 SHRVCZLWKCUSJU-OAHLLOKOSA-N 344.205 4.036 0 40 EIAB CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 101114454 NWNJPYRRUXKSLG-SFHVURJKSA-N 347.418 4.010 0 40 EIAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 106703753 ZSRCYLIQGXZTHI-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 195528601 ZVUILHDCYIJURD-ZKYQVNSYSA-N 332.341 4.307 0 40 EIAB CCCOc1ccc(C(=O)Nc2cccc(C(=O)OCC)c2C)cc1 218981902 UFMLSEVRHFYFEZ-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 219313365 QMEDMNZZTXADCS-HKUYNNGSSA-N 341.451 4.045 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1C 219504388 RTZXBWCKYGYZER-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)s3)N21 222652049 YAQCRXBVTJKPFZ-VBNZEHGJSA-N 329.494 4.431 0 40 EIAB O=S(=O)(Cc1ccccc1F)Nc1ccc2c3c(cccc13)CC2 224183714 KDWUHHPURDYABZ-UHFFFAOYSA-N 341.407 4.019 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccc(Cl)cc1 224450384 DEBAHCLIBMAVFJ-IBGZPJMESA-N 345.870 4.473 0 40 EIAB CCCCOCc1cc(C(=O)N2CCC(C)CC2)ccc1OCC 224729745 CEJGKJYPZHUMEJ-UHFFFAOYSA-N 333.472 4.274 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1 225182270 QATLHTRZJZHDRU-UHFFFAOYSA-N 339.479 4.339 0 40 EIAB Cc1ccccc1CSCCNC(=S)Nc1cccc(F)c1 225361111 YJDSZYPAVYPAKI-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB CCOc1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225514624 SPWBFUFCLXMYOV-HNNXBMFYSA-N 328.481 4.393 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2(C(C)C)CCCC2)c1C 225863867 SWFVKQRBTMJGAT-UHFFFAOYSA-N 348.512 4.427 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCSC(C)(C)C)c1 408926123 OXEBWGNKBTVRLN-UHFFFAOYSA-N 325.543 4.185 0 40 EIAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1 422561 IBURFUFGYSAUTM-UHFFFAOYSA-N 338.480 4.467 0 40 EIAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccco1 425763 ZIQNBNXMDYBROO-UHFFFAOYSA-N 345.811 4.118 0 40 EIAB COc1ccc(C(=O)NCC[C@@H](c2ccc(OC)cc2)C(C)C)cc1 2152146 AAYRVMMRAOCUQU-HXUWFJFHSA-N 341.451 4.264 0 40 EIAB biogenic O=C(COc1ccc(Cl)c2ccccc12)NCc1cccs1 2621808 KTTOGSPUKLZFJY-UHFFFAOYSA-N 331.824 4.250 0 40 EIAB CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1 2752539 HROOUULWXOGBLV-UHFFFAOYSA-N 333.815 4.384 0 40 EIAB O=C(Nc1ccccc1F)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117009 ACSZWWIVQDTZNC-UHFFFAOYSA-N 349.230 4.455 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(Br)c1 3296619 ALIMUZQVOPZDPM-WTNCMQEWSA-N 342.236 4.440 0 40 EIAB CSc1ncccc1C(=O)OCc1ccc(Cl)c(Cl)c1 3340082 GJKPKNIZIJOOGA-UHFFFAOYSA-N 328.220 4.467 0 40 EIAB CCCCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1OC 3345269 YEVLGPWZJCGWBB-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB COc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2)cc1 3896515 DJPWCDCVVMSVIJ-UHFFFAOYSA-N 330.391 4.457 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 4073909 UJVLDDZCTMKXJK-GOLQWDRCSA-N 340.463 4.370 0 40 EIAB CCCC(CCC)C(=O)Nc1ccc(Br)cc1C(=O)O 4823253 GZZWXKKHJGOUKJ-UHFFFAOYSA-N 342.233 4.302 0 40 EIAB CCCC(=O)N(CC(C)C)c1nnc(-c2ccc(OCC)cc2)s1 4982612 JIBIXGMKLMMHSM-UHFFFAOYSA-N 347.484 4.393 0 40 EIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(F)cc3)n2)cc1 5180284 RRJOAOVZLFHNQI-UHFFFAOYSA-N 341.411 4.148 0 40 EIAB Cc1cc(O)c2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1 5956928 JLCJZRHVHJIKNB-UHFFFAOYSA-N 341.310 4.258 0 40 EIAB O=C(NCc1cccs1)c1cccnc1Sc1ccccc1 6841402 KCQAXKWXLMAQSQ-UHFFFAOYSA-N 326.446 4.224 0 40 EIAB C[C@@H](Sc1ccc2c(c1)OCCO2)c1nnc(-c2cccs2)o1 6844980 DQZODRLIQWPYRN-SNVBAGLBSA-N 346.433 4.423 0 40 EIAB CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 6886765 ZJAKMHCVACQRAR-SFHVURJKSA-N 345.826 4.490 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C 7053202 FWQAWLRAVWFYDF-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB COc1ccc(CNC(=S)Nc2cccc3c(O)cccc23)cc1 7519913 RUFNCFHPGZSZGE-UHFFFAOYSA-N 338.432 4.041 0 40 EIAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccsc1 7926869 WOBSIAGGGSZERR-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(-n2nccc2C)cc1 8071785 ZJIWJCJWCAIPNN-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB Cc1ccc(C(=O)CCC(=O)OCc2nc3ccccc3s2)s1 8408893 INENRPHOOCTYOU-UHFFFAOYSA-N 345.445 4.373 0 40 EIAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1 9007555 WRBNBGNLEAMTDO-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB Cc1nc2cc(NC(=O)c3cnc4onc(C(C)C)c4c3)ccc2o1 9709963 UKJSDUBAXZHCIG-UHFFFAOYSA-N 336.351 4.048 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(F)cc1Cl 10286767 YSJHHHFYJIGARD-UHFFFAOYSA-N 334.803 4.361 0 40 EIAB O=C(Nc1ccc(O)cc1)c1ccc2nc(-n3cccc3)sc2c1 12389988 MEVKFXYRORUUEF-UHFFFAOYSA-N 335.388 4.045 0 40 EIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(F)c1 12558682 ROKNCEOQRBRGAM-OAHLLOKOSA-N 341.430 4.255 0 40 EIAB Fc1ccc(-c2csc3ncnc(NCCN4CCCC4)c23)cc1 12853213 ASKDARLUMYXDQC-UHFFFAOYSA-N 342.443 4.005 0 40 EIAB C[C@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)c2ccccc2)CC1 13008836 BFVKVZOFWOLBQK-CQSZACIVSA-N 341.455 4.023 0 40 EIAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1 13942328 IWLLZKDYXHTQMM-QVKFZJNVSA-N 346.430 4.201 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)c2c(C)[nH]c3ccccc23)cc1 16110070 SBGWMPQPMSBXFF-UHFFFAOYSA-N 349.478 4.248 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 17297538 SMYJYZUTIYRDKC-LBPRGKRZSA-N 338.234 4.120 0 40 EIAB CC(C)Oc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)cc1 19450656 QKPGOGQPHZOTLF-FQEVSTJZSA-N 327.472 4.325 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)N[C@@H]1CCCC[C@H]1C 20428226 QXNLYXJKQWJCTK-CZUORRHYSA-N 344.480 4.339 0 40 EIAB Cc1ccc(CCCNC(=O)c2nc(Cl)ccc2Cl)c(C)c1 26911463 LEPMIJGKQOHVDM-UHFFFAOYSA-N 337.250 4.368 0 40 EIAB O=C(NCc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 28200442 ZJGABRVVKUNVAO-UHFFFAOYSA-N 348.246 4.049 0 40 EIAB COc1cc(N2C=C(C)C(C)=NN(c3ccccc3)C2=O)ccc1O 28526913 ADGIUVLHIAGQQW-UHFFFAOYSA-N 337.379 4.127 0 40 EIAB CC(C)[C@H](NC(=O)c1cccs1)c1ccc2c(c1)OCCCO2 32741416 RGIPGFCSQARROS-KRWDZBQOSA-N 331.437 4.037 0 40 EIAB CC(C)CCC[C@H](C)NC(=O)N[C@H](c1ccccc1)c1nccn1C 32809234 PYMUASBZNSYIDF-FUHWJXTLSA-N 342.487 4.024 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccsc1)c1ccccc1Cl 32903427 SXNYDIHRNUMTDP-MRXNPFEDSA-N 336.888 4.214 0 40 EIAB CCOc1cccc2cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3oc12 33020926 KSLBZEGGBBVUEM-UHFFFAOYSA-N 334.375 4.099 0 40 EIAB CC(C)C[C@@H](NC(=O)COCCOc1ccccc1)c1cccs1 40157317 QNOJRRTWEQGULN-QGZVFWFLSA-N 347.480 4.047 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)cc1OC 44945988 ULGHWURBMJVRFD-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB Cc1noc(C)c1CN1CCC[C@@H]1c1ccc(Br)cc1 52453269 NBEIXHPKPLDJPW-MRXNPFEDSA-N 335.245 4.391 0 40 EIAB O=C(C[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 57084639 CHXQQUMSOCLKAS-WBVHZDCISA-N 335.856 4.176 0 40 EIAB COC(=O)c1ccc(Nc2ccc(SC3CCCC3)cc2)nn1 58268723 ASWPVMOPPIYJFJ-UHFFFAOYSA-N 329.425 4.042 0 40 EIAB O=C(NCCC1CC1)Nc1cccc(CSC2CCOCC2)c1 78937641 IUCRFWBKTXSZBH-UHFFFAOYSA-N 334.485 4.020 0 40 EIAB CCc1ccsc1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 79361062 AIKDNYZUQKDHSE-OAQYLSRUSA-N 341.885 4.095 0 40 EIAB COc1cc(OC)c2c(C(F)(F)F)cc(Br)nc2c1 95101169 HCAKWMCYEJMOMG-UHFFFAOYSA-N 336.107 4.033 0 40 EIAB O=C(CCCc1csc2ccccc12)NCCc1cscn1 96461584 LEDPRASKPONKCI-UHFFFAOYSA-N 330.478 4.039 0 40 EIAB O=C1Nc2cc(Cl)ccc2/C1=C\c1c(Cl)nc2ccccn12 96766604 FZQBVIQTVKARRA-DHZHZOJOSA-N 330.174 4.134 0 40 EIAB C[C@H](NC(=O)CSc1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102181739 RVCQWVRRPPENEJ-XDQVBPFNSA-N 346.521 4.329 0 40 EIAB O=C1[C@@H]2Nc3ccccc3N=C2O[C@@H]1c1ccc(Cl)c(Cl)c1 104239952 XQHPFUBUOSOHLZ-DZGCQCFKSA-N 333.174 4.158 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1cc(C)ccc1C 113959299 XVPAMWWEWCYROL-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(C)cc1 113960772 GNECPGXTRVJTDG-QZTJIDSGSA-N 341.451 4.429 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C(C)C)cc1 206757561 SFYYDNLOIHEVEI-BYICEURKSA-N 333.497 4.074 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1ccc(C)cc1 219274100 PBLHHDGIIQYWFH-UHFFFAOYSA-N 325.452 4.075 0 40 EIAB COc1cc(CNC(=O)Nc2cccc(Cl)c2)ccc1OC(C)C 222628747 MPKGAOFFDGYJGZ-UHFFFAOYSA-N 348.830 4.458 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224118717 RBGBMNKZDXUYIO-HNNXBMFYSA-N 327.424 4.111 0 40 EIAB Cc1cccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)c1 224144874 WGMHLXPZYTVYDW-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COCC(C)C 224445872 HMFMCAPHQACUDA-UHFFFAOYSA-N 341.451 4.106 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1C 225039092 YZFJTOICGYHLOH-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB Cc1ccc(OCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225563097 JPVPOUQHWFLJHB-UHFFFAOYSA-N 344.480 4.148 0 40 EIAB CCCOc1ccc(NC(=O)C(C)(C)Br)cc1Cl 225596051 QQKJQBWENAPFFG-UHFFFAOYSA-N 334.641 4.241 0 40 EIAB Cc1cc(C)c(NC(=O)c2snnc2-c2cccs2)c(C)c1 225790486 UKXVGCQMVDHTAS-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB CCCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCC)c(C)c1 225897888 YXRDIBFMYKNMAU-LJQANCHMSA-N 336.476 4.493 0 40 EIAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 253617148 LLKXAWZFTUNUTQ-MKOCOSAPSA-N 336.516 4.379 0 40 EIAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409103624 DNFRDXPZKJOYGB-SFQUDFHCSA-N 339.416 4.322 0 40 EIAB Cc1ccc(N2C[C@H](c3nc(CCC(C)(C)C)no3)CC2=O)c(F)c1 585081682 GOWIDJPTDPCFEZ-CYBMUJFWSA-N 345.418 4.016 0 40 EIAB O=C1CS[C@@H](c2ccc(Br)cc2)N1C1CCCCC1 180290 WHNJIQGQJDOJBK-HNNXBMFYSA-N 340.286 4.356 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C)c2)CSC3)cc1 190301 BYBHDSPWJXMGFB-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 290106 FWBMUPNXHQHQMN-RDJZCZTQSA-N 336.435 4.192 0 40 EIAB O=C(CCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 325261 OAFOOXBWOCVLRR-SFHVURJKSA-N 347.418 4.033 0 40 EIAB O=C(CSc1nccn1-c1cccc(Cl)c1)NC1CCCCC1 427386 CESCTXWUHLVGEC-UHFFFAOYSA-N 349.887 4.067 0 40 EIAB COc1ccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 530983 XAMFNQMZKVBLAZ-OAHLLOKOSA-N 349.434 4.146 0 40 EIAB Clc1ccc(-c2nn3c(-c4ccco4)nnc3s2)c(Cl)c1 531963 KIOYCEUSISBNDT-UHFFFAOYSA-N 337.191 4.420 0 40 EIAB Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC(Cc2ccccc2)CC1 536866 WXLYJHGMWISTGO-JOCHJYFZSA-N 348.490 4.464 0 40 EIAB NC(=O)[C@@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 1385439 BEZLDOICUYSEOS-NSHDSACASA-N 349.139 4.024 0 40 EIAB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 1621904 CIAOQAUAMGXMOH-PMACEKPBSA-N 327.383 4.127 0 40 EIAB COc1cc(N[C@H](C)CN(CC(C)C)C(C)C)c2ncccc2c1 1644108 BWSPHAJBCNZUPV-MRXNPFEDSA-N 329.488 4.410 0 40 EIAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(Cl)ccc1Cl 2505695 HMMWABFMSFKZLL-NSHDSACASA-N 334.199 4.034 0 40 EIAB O=C(CSc1cccc2cccc(Cl)c12)NCc1ccco1 2620588 ZYMVUHBHTJPXDC-UHFFFAOYSA-N 331.824 4.495 0 40 EIAB Cc1ccccc1N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 3051334 RZZGLYBCMNRSCY-ZDUSSCGKSA-N 337.678 4.266 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F 3368280 IOSYUTIIZYQAOM-UHFFFAOYSA-N 329.343 4.069 0 40 EIAB Cc1ccc([S@@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1 4040764 OFLRZTHODSJPTL-XMMPIXPASA-N 336.456 4.039 0 40 EIAB COc1ccccc1[C@@H]1NC(=O)c2c(-c3ccccc3)csc2N1 4814043 QYIQVVUHXGXINL-QGZVFWFLSA-N 336.416 4.278 0 40 EIAB CC(=O)O[C@H]1CC[C@@]23C[C@@]2(C=C[C@H]2[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]23)C1 4897116 FUGNGPAKVKQMRY-FPYHTYPQSA-N 328.452 4.060 0 40 EIAB CC(=O)Oc1c(Cl)c(Cl)c(OC(C)=O)c(Cl)c1Cl 5378819 MGVDBRWFYNBCMA-UHFFFAOYSA-N 331.966 4.151 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1OC(F)F 5512266 ULGHOYXKRPBSFN-UHFFFAOYSA-N 330.334 4.341 0 40 EIAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(F)c1 5584087 DXEFKPQDGFCQGH-UHFFFAOYSA-N 349.452 4.322 0 40 EIAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(F)cc1 5600108 BZFFZLRAPGDXLW-BQYQJAHWSA-N 349.287 4.052 0 40 EIAB COc1cc(C(=O)Nc2cccc(O)c2)ccc1OCc1ccccc1 6627960 IXMGSRZWQATPJW-UHFFFAOYSA-N 349.386 4.232 0 40 EIAB Cc1c(C(=O)Nc2nonc2-c2ccc(F)cc2)oc2ccccc12 6758883 HOMKHBXRWDJLJL-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccccc2)no1 6786023 KTDZTXNJBOCLLG-UHFFFAOYSA-N 347.418 4.466 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc2cc(Br)ccc21 6957195 MBDKDTJJINQYIC-IUODEOHRSA-N 349.272 4.099 0 40 EIAB C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 7779951 PLBLQAJJEPLUIJ-KCXBLQSVSA-N 344.426 4.085 0 40 EIAB CCCn1c(NC(=O)COc2ccccc2Cl)nc2ccccc21 7796454 MIZMTMICIWRYCY-UHFFFAOYSA-N 343.814 4.117 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CCCCCC1 8085310 VYMUSFLLWUFCFW-UHFFFAOYSA-N 327.468 4.367 0 40 EIAB C[C@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1cccnc1 12146351 RPDBNTCLRQUHLJ-AWEZNQCLSA-N 343.386 4.381 0 40 EIAB Cc1cccc(OCCCNC(=O)Cc2cccc3ccccc23)c1 12397533 UVSFOYQHFYOIGG-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB c1cc(-c2noc(CN3CCc4sccc4[C@@H]3C3CC3)n2)cs1 12758502 WOFRAWJSHIIYHY-INIZCTEOSA-N 343.477 4.369 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 12923545 RWZZRASTZNXUDA-GFCCVEGCSA-N 342.826 4.180 0 40 EIAB CCOC(=O)COc1ccc(/C=C/c2ccnc3ccccc23)cc1 13214913 VOKHEDMEPIPNJB-JXMROGBWSA-N 333.387 4.347 0 40 EIAB CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 14049059 LWOOXJPYCCDCKR-AWEZNQCLSA-N 336.439 4.208 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 14393798 NWZYWANZEMGXEW-UHFFFAOYSA-N 349.333 4.106 0 40 EIAB Cc1cccc(C)c1NC(=S)NC[C@H](c1ccco1)N1CCCC1 16239130 LBUXBGBCDSLRTN-MRXNPFEDSA-N 343.496 4.020 0 40 EIAB CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(C)cc3)c2c1 17306654 KJFWSNIUMFTPOJ-UHFFFAOYSA-N 348.402 4.281 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1 18202110 ZTBXAOSFZUWHQE-UHFFFAOYSA-N 329.465 4.057 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 18247113 HCSFDGNFLGIIKS-KDURUIRLSA-N 333.387 4.243 0 40 EIAB Cc1nc(C)c(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)s1 19582027 UGRRZBWALZPIIO-UHFFFAOYSA-N 336.420 4.151 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20145177 KNWLWJCDZOKAIH-YIXHJXPBSA-N 349.386 4.099 0 40 EIAB CC(C)N(CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(C)C 22623353 GITVXHLWQUEBJS-AWEZNQCLSA-N 342.936 4.056 0 40 EIAB O=C(NCCOc1ccccc1)c1ccccc1COc1ccccc1 23135898 DCQQEYXMXYIWMR-UHFFFAOYSA-N 347.414 4.074 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)C1(C)C 25532799 UHNJKAOUMDDNMZ-QFBILLFUSA-N 340.442 4.430 0 40 EIAB CN(CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccco1 28896092 MOZJWNGBQVYALX-UHFFFAOYSA-N 348.446 4.007 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 30860611 JJSUPDNQXYRQBY-HUUCEWRRSA-N 329.465 4.362 0 40 EIAB O=C(Nc1ccccn1)c1csc(COc2ccc(Cl)cc2)n1 32906889 DHSJPEYFYCVPDU-UHFFFAOYSA-N 345.811 4.023 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)c1ccn(-c2ccccc2)n1 33149194 PDLNWAYTTQLRPC-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB OCc1cc(Cl)c(OCc2ccccc2)c(Br)c1 34772866 CRBSOEYUTCZLQN-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCc2sccc2C1 36425565 VRGJKVNTDJWEQF-FQEVSTJZSA-N 348.471 4.486 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1C 36620315 PTPAANBAABCCAP-LJQANCHMSA-N 329.465 4.138 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 40103642 GACVPMNHIRNLIV-QWRGUYRKSA-N 325.250 4.267 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCSc2ccc(Cl)cc21 40501044 ICQRKHXBDBRPMD-UHFFFAOYSA-N 336.844 4.016 0 40 EIAB CN(C(=O)c1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 48657907 ZSZATRKPFIGTBR-UHFFFAOYSA-N 333.387 4.278 0 40 EIAB Cc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1N 57340540 DZJAUKCFWSNKJB-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 57412070 LYWSBNDWCYEWCT-UHFFFAOYSA-N 340.814 4.048 0 40 EIAB CCOc1ccc([C@H]2CCCN2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 57626726 ULYLRUWNCIPQDB-FUHIMQAGSA-N 344.499 4.012 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(C)c(Br)c1 59499375 WLBUEVLSWBRUPD-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 60376137 DPMVEZCHJVTKKC-IAGOWNOFSA-N 345.874 4.009 0 40 EIAB Cc1[nH]c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2c1C 65119654 NPCUYJMGWSDTHY-UHFFFAOYSA-N 334.419 4.064 0 40 EIAB CCc1nc(CCNC(=O)Nc2cccc(C(F)F)c2)cs1 69770197 DKKGSIOPYCQAAB-UHFFFAOYSA-N 325.384 4.007 0 40 EIAB Cc1nc2c(-c3cccs3)c(C)nn2c(NCc2ccncc2)c1C 72341727 CIEYIRPFVUIKQA-UHFFFAOYSA-N 349.463 4.390 0 40 EIAB Cc1csc([C@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)n1 74669092 ZGHVQZRQVDUPIP-QGZVFWFLSA-N 341.480 4.277 0 40 EIAB O=C(NC1(c2nc(C3CC3)no2)CCCCC1)c1ccccc1Cl 75164141 RIASTUFMWJAIAU-UHFFFAOYSA-N 345.830 4.190 0 40 EIAB Cc1cc2sc(NC(=O)N(C)[C@H](C)c3cccnc3)nc2s1 83580862 WUFHINWXXIOUHY-SNVBAGLBSA-N 332.454 4.286 0 40 EIAB c1ccc(-n2ccc(CSc3nnc(-c4cccs4)o3)n2)cc1 84576726 ZTJNNNUTMNBNBJ-UHFFFAOYSA-N 340.433 4.276 0 40 EIAB C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccccn1)c1ccc(F)c(F)c1 86338438 VDCZCQRNIMAAED-CHWSQXEVSA-N 345.393 4.356 0 40 EIAB CCn1cnnc1-c1cccc(NCc2csc(C(C)(C)C)n2)c1 89310177 OARHFZNERZRRRB-UHFFFAOYSA-N 341.484 4.331 0 40 EIAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 89818797 JXWHJJPHFGLNHC-IVZWLZJFSA-N 348.394 4.037 0 40 EIAB O=C(c1cccn1Cc1ccccc1)N1CC[C@@H](c2ccccc2)C1 89841085 BCGOZWFNOZROJS-HXUWFJFHSA-N 330.431 4.166 0 40 EIAB c1ccc(Cn2ccnc2CN[C@H](c2ccccc2)c2ccco2)cc1 89841133 QEOMVTOXKCTMEG-JOCHJYFZSA-N 343.430 4.404 0 40 EIAB O=C(C=C(C1CC1)C1CC1)Nc1c2c(nn1-c1ccccc1)CCC2 95364771 XCRFUQJJRHIFBK-UHFFFAOYSA-N 333.435 4.046 0 40 EIAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@H]3C2=O)c1 100085211 DZLHRCTZVFXHBQ-LFGUQSLTSA-N 333.431 4.177 0 40 EIAB CCOC(=O)CC(=O)c1sc2ccc(C(F)(F)F)cc2c1C 216699186 NQLYTLLZAYQIGG-UHFFFAOYSA-N 330.327 4.364 0 40 EIAB Cc1cccc(CCCNC(=O)CCSCc2ccccc2)c1 218995584 RGSAUFMZYXTUBA-UHFFFAOYSA-N 327.493 4.367 0 40 EIAB CCCC[C@@H](C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C 223226424 XCFQQGLZPAWSQP-INIZCTEOSA-N 331.456 4.429 0 40 EIAB CCCCOc1ccc(NC(=O)C(C)(C)Br)cc1C 225595377 VBOQQPPCCFXESR-UHFFFAOYSA-N 328.250 4.286 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)Nc1c(F)cccc1F 225648615 XTOZZCPLAWHVFC-UHFFFAOYSA-N 345.374 4.410 0 40 EIAB Cc1ccnc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225676464 NCFVJPVAWXJVPB-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB CCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC(C)CC1 225721678 JRBPBMXZBAJACC-UHFFFAOYSA-N 325.836 4.273 0 40 EIAB Cc1ccc(SCCNC(=O)CCc2ccc(C)c(C)c2)cc1 225811733 IQTCMRDXPHZBMH-UHFFFAOYSA-N 327.493 4.453 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1Cl 225879161 CQFLONUMYVAWJF-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB COc1cc(N)cc(Cl)c1NC(=O)c1cc(Cl)ccc1Cl 227146800 WIXFEEBXNOXVBR-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB O=C(N=c1cc[nH]cc1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 572971026 JYARYXQTOHTWDN-MRXNPFEDSA-N 349.356 4.281 0 40 EIAB C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 585140796 JPSIQVAIYLTRAH-RHSMWYFYSA-N 333.501 4.400 0 40 EIAB Cc1ccc(C)c(CSc2nc3ccccc3n3c(C)nnc23)c1 1775966822 CXQRVKZDKXLQOW-UHFFFAOYSA-N 334.448 4.495 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1F 429435 VBVJDNHZQDJWLO-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Clc1cccc(-c2nnc3sc(CCc4ccccc4)nn23)c1 2180690 KSKRPMQXUSMXBA-UHFFFAOYSA-N 340.839 4.291 0 40 EIAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)cc(C)c2)C(C)C)cc1 2647904 UWSQTYVFXVYZSQ-IBGZPJMESA-N 338.451 4.005 0 40 EIAB Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C 2919574 QGPVMDYIYHVIOF-SJORKVTESA-N 339.830 4.090 0 40 EIAB Fc1ccc(CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 4164216 IAPMBXNNRBBHTQ-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB CCCCCC[C@@H](O)CCCCCCCCCCC(=O)NCCO 4727041 OZSKVMIBRHDIET-LJQANCHMSA-N 343.552 4.327 0 40 EIAB CCCCSc1nnc(COc2ccc(Cl)cc2)n1CC 5007732 NLLDRCYSQWFPNE-UHFFFAOYSA-N 325.865 4.423 0 40 EIAB COc1cc(N[C@@H](C)CN(CC(C)C)C(C)C)c2ncccc2c1 5834728 BWSPHAJBCNZUPV-INIZCTEOSA-N 329.488 4.410 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 6274087 PCRHYAGZOAHSIH-UHFFFAOYSA-N 345.826 4.478 0 40 EIAB Clc1ccc2nc(CSc3ccc4c(c3)OCCO4)cn2c1 6465386 XWCFANQRHIRPQW-UHFFFAOYSA-N 332.812 4.051 0 40 EIAB CCOc1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1 6590265 JBZPRDZCKVMAOM-UHFFFAOYSA-N 329.787 4.401 0 40 EIAB CCc1ccc(CN(C)C(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 6936311 ZYTJQVTVMUZDCT-UHFFFAOYSA-N 347.462 4.324 0 40 EIAB O=c1[nH]c(SCCOc2ccc3ccccc3c2)nc2ccccc12 6995645 WIGMRZAXDPGCLT-UHFFFAOYSA-N 348.427 4.247 0 40 EIAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccco2)cc1 7884066 SIFKGLAYAALSPS-IBGZPJMESA-N 334.375 4.449 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1C1CC1 7886021 IANSZSOEUKPUQL-INIZCTEOSA-N 332.325 4.434 0 40 EIAB Cc1cc(C)n(CCCNC(=O)c2cccc(Oc3ccccc3)c2)n1 8074885 SJASMIOFYCPKRC-UHFFFAOYSA-N 349.434 4.112 0 40 EIAB COc1ccc(OC)c(C(=O)CCc2nc3ccccc3s2)c1 8114382 LRIRCSGJOIKYMW-UHFFFAOYSA-N 327.405 4.129 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)c(Cl)c1 8499805 DVTXMKMOAVUALW-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB CCOC(=O)Nc1sc(NC(=O)C2CC2)nc1-c1ccc(C)cc1 8990206 JQXFGPFHMFYWFW-UHFFFAOYSA-N 345.424 4.035 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)Nc3ncc(C)s3)ccc2c1 10624039 QTRNDHJZJFSWOW-LBPRGKRZSA-N 326.421 4.356 0 40 EIAB CCc1ccc(CCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 10644158 MQNVVHXBYYGTMA-FQEVSTJZSA-N 347.462 4.005 0 40 EIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc2ccccc2o1 11004260 YTGBYIWIXPJAAS-UHFFFAOYSA-N 343.766 4.500 0 40 EIAB Cc1sc(-n2cccc2)nc1C(=O)Nc1nc2ccccc2s1 11866106 XDFLARJZSRLCTH-UHFFFAOYSA-N 340.433 4.104 0 40 EIAB Cc1n[nH]cc1NCc1cc(-c2ccccc2)cnc1-c1ccncc1 12221444 VJVFSLYTTYAZRT-UHFFFAOYSA-N 341.418 4.454 0 40 EIAB CC(=O)c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 12929753 IIDDAMXBWQQRQB-UHFFFAOYSA-N 328.418 4.327 0 40 EIAB CC(C)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12981514 HNTQPRTUNIGCHE-UHFFFAOYSA-N 330.453 4.020 0 40 EIAB CC(=O)c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1 12998168 KTJPHMAXFFYELR-UHFFFAOYSA-N 331.297 4.156 0 40 EIAB Cc1ccc(F)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 13281252 KWQUFZAUJQSDAL-UHFFFAOYSA-N 349.818 4.395 0 40 EIAB CC(C)(C)c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 13494615 VTYYLKRXMYKNMF-UHFFFAOYSA-N 327.240 4.457 0 40 EIAB CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 13720793 FPFUJJBMKMJVIY-HXUWFJFHSA-N 344.418 4.108 0 40 EIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C)cc1Cl 14139634 QMENONDSQZKWIY-UHFFFAOYSA-N 340.810 4.104 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCCc1c[nH]c2ccccc12 14184546 HZHOBFOSJHCVFR-UHFFFAOYSA-N 346.352 4.088 0 40 EIAB Cc1cccc(Cn2cc(C(=O)Nc3ccc(C)cc3C)ccc2=O)c1 15883087 HKUJYZDTZPNQLX-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1cccc(OCCNC(=O)c2cc(Cl)nc3ccccc23)c1 18147442 CTXOQVFMBFEQSY-UHFFFAOYSA-N 340.810 4.005 0 40 EIAB Cc1csc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)n1 20717572 MMPHXTKFCWJJPY-UHFFFAOYSA-N 343.355 4.332 0 40 EIAB O=C(Nc1ccccc1O)c1cc(Br)ccc1Cl 21866429 YDNOMAGQVGESLW-UHFFFAOYSA-N 326.577 4.060 0 40 EIAB C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nc(-c2cccs2)no1 26994068 OISSBMCALOSVRX-LLVKDONJSA-N 343.408 4.133 0 40 EIAB c1ccc(-c2nnc(SCc3noc(-c4cccs4)n3)o2)cc1 30025385 KDSBRUDWEWTIFT-UHFFFAOYSA-N 342.405 4.140 0 40 EIAB CCCc1sc(C(=O)N2CCn3c2nc2ccccc23)cc1CC 30660714 PTJQVWWAEQWMJX-UHFFFAOYSA-N 339.464 4.273 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccn(-c2ccccc2)n1 33146376 QXJGIRSLSHLUFK-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB COc1ccc(Nc2nc(-c3ccccc3OC(C)=O)cs2)cc1 33624790 HMDKMLVCZZJTDN-UHFFFAOYSA-N 340.404 4.488 0 40 EIAB COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)noc3n2)c1 36617388 CLWXWJNKUWLDDC-UHFFFAOYSA-N 338.285 4.234 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1 47583999 UVMOZOSWDQSGAR-UHFFFAOYSA-N 347.802 4.182 0 40 EIAB COc1ccc(Cl)cc1C(=O)c1ccccc1Br 55200096 DXKCXYYDVCABTQ-UHFFFAOYSA-N 325.589 4.342 0 40 EIAB O=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 55553157 NXCXNYAAACPMID-UHFFFAOYSA-N 337.810 4.146 0 40 EIAB CCc1ccc2oc(Nc3nc4c(OC)cc(N)cc4s3)nc2c1 57352681 FDFUAXPRAJIWBM-UHFFFAOYSA-N 340.408 4.334 0 40 EIAB c1ccc2c(c1)OC[C@H](CNC1c3ccccc3-c3ccccc31)O2 58121833 RPZIYOZJKZFRQS-HNNXBMFYSA-N 329.399 4.186 0 40 EIAB C[C@@H](NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccccn1 58202489 KLRGXHIOKMRJJV-OAHLLOKOSA-N 348.450 4.213 0 40 EIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1)C3 61997639 DIRSYYHMWWXBHU-UHFFFAOYSA-N 335.403 4.070 0 40 EIAB biogenic Cc1occc1CNC(=O)Nc1cccc(OCC(F)(F)F)c1C 69687275 HWQKDAIHCGTNSE-UHFFFAOYSA-N 342.317 4.159 0 40 EIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2Cc2ccoc2)n1 72366761 HYUREVAIHVIYQT-GOSISDBHSA-N 336.439 4.321 0 40 EIAB O=[S@@](Cc1nnc(Cc2ccccc2)o1)c1ccc2ccccc2c1 83078034 RXCCIBRVQXDXSZ-RUZDIDTESA-N 348.427 4.121 0 40 EIAB Cc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)on1 84124134 PPMGGFLTJOLTHF-UHFFFAOYSA-N 334.347 4.170 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)N[C@@H]1CCc2ccccc21 84581887 DZSFVZVQMUEXNM-GOSISDBHSA-N 346.390 4.078 0 40 EIAB CC1(C)CN(C(=O)C[C@@H]2CCOc3ccccc32)Cc2ccccc21 89919680 OSTKMJYREZYDMN-INIZCTEOSA-N 335.447 4.263 0 40 EIAB COc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 93548540 UZMHABDGSDSZKI-UHFFFAOYSA-N 345.761 4.130 0 40 EIAB Fc1cc(NCc2nnc(-c3ccccc3Cl)o2)cc(F)c1F 95414883 IBRKRZIQALVYLK-UHFFFAOYSA-N 339.704 4.419 0 40 EIAB Cc1nc(NC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)oc1C 95428469 YMKPVIMJGRSGLI-APWZRJJASA-N 325.412 4.225 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 107149763 UGSFKECDPUCWMT-KRWDZBQOSA-N 333.435 4.039 0 40 EIAB CC1=NC[C@]23CC(=O)[C@H]4[C@@H](CC[C@@]5(C)C[C@H](O)CC[C@]45C)[C@@H]2CC[C@H]13 118936323 VHGQZHONFLYAGQ-CVQDTJTRSA-N 343.511 4.030 0 40 EIAB CCOc1cccc(CNC(=O)CCc2cccc3ccccc23)c1 222674626 LCFFSIPLACNMKQ-UHFFFAOYSA-N 333.431 4.488 0 40 EIAB O=C(COc1cccc(Cl)c1)NCCCc1ccc(Cl)cc1 222767790 XDKIBLMNVDZBCU-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB CC[C@H](NC(=O)CCc1ccccc1F)c1ccc(OC)c(C)c1 223907627 BPSVWPHFNDSRCD-SFHVURJKSA-N 329.415 4.343 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2cccc(Cl)c2)c1 224485073 AWTYGAKNZBJUQV-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB CCc1ccc(CC)c(CNC(=O)c2cc(Cl)ccc2OC)c1 225042130 SAPIPDGBNSECOV-UHFFFAOYSA-N 331.843 4.403 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225359141 KGAQCWDJTFYHTA-UHFFFAOYSA-N 325.408 4.353 0 40 EIAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 225475615 UNXXRNULJQYZGQ-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB CCCNC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476687 BHFUCSICEIPRES-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1F 225604077 VFAKAZMVJFCZHA-CQSZACIVSA-N 349.471 4.471 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225641762 ADLCHKPWDIIJAW-LBPRGKRZSA-N 336.407 4.027 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1snnc1-c1cccs1 225788299 VUCOJPCAAJUTRM-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cccc(F)c1 1775979066 ZDPASNPRNCAWPS-QGZVFWFLSA-N 341.407 4.018 0 40 EIAB O=C(Nc1ccc2ncccc2c1)c1cccc(Br)c1 359127 GVYXRCAFHSOYCC-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB COc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c1 1814374 ZIPXFCAYUVRYFK-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CCOc1ccc(-n2c(SC)nnc2-c2cccc(C)c2)cc1 2646799 NQWPEGCKQOXMDW-UHFFFAOYSA-N 325.437 4.363 0 40 EIAB COc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2Cl)cc1 2733381 ZTTCSLLTVBLKQZ-UHFFFAOYSA-N 328.799 4.425 0 40 EIAB Clc1ccc(Br)cc1-c1nnc(-c2ccncc2)o1 3399415 HLAIADBLISNUHY-UHFFFAOYSA-N 336.576 4.215 0 40 EIAB O=C(c1ccc(F)cc1)n1ccc(-c2ccc(OCCCF)cc2)n1 4092241 ODXKAHZEEHNYOF-UHFFFAOYSA-N 342.345 4.116 0 40 EIAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 4456907 CQOZKRYYTULKMO-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB N=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S1 5027436 QLUMUKCWVLNHCV-OQLLNIDSSA-N 344.823 4.058 0 40 EIAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 5558029 CALHYICXIQHRAG-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB CC(C)CCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 5860935 TWDJFRRWXFTEPG-UHFFFAOYSA-N 331.441 4.093 0 40 EIAB O=C(O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12 5937366 NWEIHINIEXBTSD-UHFFFAOYSA-N 345.449 4.108 0 40 EIAB C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccnc1 7180333 AQSKRDRHYVKVJI-MRXNPFEDSA-N 332.403 4.005 0 40 EIAB Cc1c(C(=O)OCC(=O)c2ccccc2)oc2c(Cl)cccc12 7814603 QRUNCJBTFCZRFK-UHFFFAOYSA-N 328.751 4.434 0 40 EIAB COc1cc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc(OC)c1 8987121 DDBZQYRSERBTIP-UHFFFAOYSA-N 348.402 4.382 0 40 EIAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2C)c1 10225801 ILAXNRVQDZGWFS-FQEVSTJZSA-N 338.451 4.088 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2cc1O 10286339 QCRFOFPTQWXEGX-UHFFFAOYSA-N 348.427 4.427 0 40 EIAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10335507 ZLLRCHPPLTZDQU-UHFFFAOYSA-N 338.451 4.322 0 40 EIAB O=C(NCCSC1CCCCC1)c1ccc(CN2CCCC2)cc1 10337428 QXCIEMVAMJFDLP-UHFFFAOYSA-N 346.540 4.078 0 40 EIAB CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)C 11565999 BMIDVIKRIBQHSX-UHFFFAOYSA-N 348.468 4.185 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12559146 ZGHKSELRDRFLRN-KRWDZBQOSA-N 337.467 4.424 0 40 EIAB COc1ccc2cc(CN(C)C(=O)NCc3ccccc3)ccc2c1 12994531 GVBKIDCHQOSCCT-UHFFFAOYSA-N 334.419 4.190 0 40 EIAB COc1ccc(-c2nnc3sc(-c4ccc(C)c(C)c4)nn23)cc1 13956876 LUOCARIRKOZAST-UHFFFAOYSA-N 336.420 4.145 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1C 14398015 CXJANXMBUWIQQB-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB CC[C@H](C)[C@H](NC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)O 16021249 VOXZMBVGBVSZLS-YOEHRIQHSA-N 338.492 4.163 0 40 EIAB O=C(/C=C\c1ccccc1)OCc1ccccc1CN1CCCCC1 17004239 AISXUVWCCTZFRV-YPKPFQOOSA-N 335.447 4.429 0 40 EIAB COc1ccc(/C=C/C(=O)NCCSCc2ccc(C)cc2)cc1 17603467 DDAUYKXRHVBOLB-FMIVXFBMSA-N 341.476 4.066 0 40 EIAB O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCCCC2 22312210 LXUAUUBTNDLXDF-UHFFFAOYSA-N 336.457 4.282 0 40 EIAB O=C(c1cc2cc(F)ccc2s1)N1CCO[C@@H](c2ccccc2)C1 23897128 XDMYFHIGJKUWME-MRXNPFEDSA-N 341.407 4.254 0 40 EIAB CC(C)[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccs1 29189883 NSSVHGLBYYNARI-INIZCTEOSA-N 347.871 4.125 0 40 EIAB C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccccc1F 32823568 AKNCKENBNVJARO-LLVKDONJSA-N 331.774 4.132 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1ccccc1 36365497 SRKRYYKQSONDRY-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCC(COCc2ccccc2)CC1 49028769 HDKVTCRQHYIPBG-UHFFFAOYSA-N 349.883 4.471 0 40 EIAB CCn1c(CNC(=O)c2occc2-c2ccccc2)nc2ccccc21 49581395 LBQRXAONNOQCTH-UHFFFAOYSA-N 345.402 4.246 0 40 EIAB CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 58228956 JZISWCQMNCYKPQ-HXUWFJFHSA-N 339.435 4.087 0 40 EIAB CSc1cccc(NC(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)c1 58330749 PWFPMZFUHZYLAM-RDTXWAMCSA-N 335.517 4.041 0 40 EIAB CCc1nc(CCNC(=O)c2oc3c(C)cccc3c2C)sc1C 60360334 LGSPLXQHXWWHRI-UHFFFAOYSA-N 342.464 4.349 0 40 EIAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 65564737 FAYQCTPDKHVNEW-AAEUAGOBSA-N 325.334 4.072 0 40 EIAB CC(C)c1nc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)cs1 69810709 JJPULMSENDPLBW-QHCPKHFHSA-N 346.477 4.370 0 40 EIAB CCCCNC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 71909608 BHJYUJFSDFNIQL-XMMPIXPASA-N 344.480 4.057 0 40 EIAB CCCN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214457 KFAGRCPORBYQAP-INIZCTEOSA-N 333.476 4.390 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)CCOCc2ccccc2)n1 72273868 UKMQLSKYSYVXJI-QGZVFWFLSA-N 344.480 4.112 0 40 EIAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1 78276236 AMRKARNYIPBAJB-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB Cc1c([C@H](C)Nc2cnc3ccccc3n2)cnn1-c1ccc(F)cc1 84044899 GOVANQYGGSBTGI-ZDUSSCGKSA-N 347.397 4.436 0 40 EIAB CC(C)c1csc([C@H]2CCCN(Cc3nnc(C(C)C)o3)C2)n1 84630779 SXEQKYKCVBHLOI-ZDUSSCGKSA-N 334.489 4.153 0 40 EIAB Cc1nc(C)c(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)o1 95979657 NYOZCYGHDJTCEB-UHFFFAOYSA-N 335.574 4.210 0 40 EIAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 96122468 HCVYSOYHSWDYFD-MRXNPFEDSA-N 344.842 4.208 0 40 EIAB FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(-c2cccnc2)n1 96408669 GAFMQIQLEWKTCE-UHFFFAOYSA-N 342.324 4.078 0 40 EIAB CN1C(=O)/C(=C/c2ccc(F)c(Br)c2)c2ccccc21 96669522 SSWHEBNGSCLCOX-XYOKQWHBSA-N 332.172 4.105 0 40 EIAB CCCCc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 100265828 IHPRBKCYVAPHAI-PMACEKPBSA-N 329.440 4.090 0 40 EIAB COc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H](C2)[C@@H]1C 104102786 DZXSIVYZBVEOTC-PDIWNELESA-N 335.491 4.462 0 40 EIAB CC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(F)c1 105885177 DJYUIIQDOQTOCU-BFQNTYOBSA-N 337.460 4.061 0 40 EIAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc2c1CCC2 105970892 GJTUMUSVQYLLEW-UHFFFAOYSA-N 328.799 4.039 0 40 EIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1 113970023 JIFBRXSOZUBDRG-IBGZPJMESA-N 327.424 4.498 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2O)[nH]1)c1ncc(C(C)(C)C)o1 194586407 GCPWVKQETQZIPH-JTQLQIEISA-N 344.440 4.316 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1F 222581769 IPRKOAYZJCWTPR-UHFFFAOYSA-N 343.308 4.122 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc2ccccc12 222877818 MZBQYHODUFZYMS-IBGZPJMESA-N 337.394 4.453 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NC(C)(C)Cc1ccccc1 223071945 VNKOLLIDNWFFAT-MRXNPFEDSA-N 325.452 4.154 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc(OC(C)C)cc2)cc1Cl 224156088 QQBDKTLGWNSYMJ-UHFFFAOYSA-N 347.842 4.244 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224285427 ZJDRUOBVBKZNOF-MRXNPFEDSA-N 341.451 4.419 0 40 EIAB CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)c(C)c1 225611760 YRTNSCBXDYAXBU-IBGZPJMESA-N 325.452 4.430 0 40 EIAB COc1ccc(CN(C)C(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225665164 ZTNSEEJSCAUNTO-UHFFFAOYSA-N 341.451 4.408 0 40 EIAB C[C@@H]1CCCC[C@@H]1OCCNCc1cnn(-c2ccc(Cl)cc2)c1 513647341 GZCIKRCCTINKDC-BEFAXECRSA-N 347.890 4.211 0 40 EIAB CCCc1ccc(OC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1 150071 SKEIWSAKTQGRHB-UHFFFAOYSA-N 347.842 4.170 0 40 EIAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3C)sc2c1 365091 OSXRFADDLOHOOK-ZDUSSCGKSA-N 326.421 4.319 0 40 EIAB CCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 387898 IPLOREVSMMOYCO-UHFFFAOYSA-N 331.799 4.316 0 40 EIAB COc1ccc(-c2nc3cccc(C)n3c2NC2CCCC2)cc1O 412109 MEQBLDVKJFSOFC-UHFFFAOYSA-N 337.423 4.378 0 40 EIAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)cc1 427360 FCMJFCUVHBAASF-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB CC[C@@H](Sc1nnc(C)s1)C(=O)Nc1ccc(Cl)cc1 467353 NTMZAZRFNRAYGZ-LLVKDONJSA-N 327.862 4.009 0 40 EIAB CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)nc1 1020470 FPXNCHNLQUODIO-UHFFFAOYSA-N 346.839 4.103 0 40 EIAB O=C1c2ccccc2C(=O)N1CNc1ccc(-c2ccccc2)cc1 1688926 KZRPYIFCOJCUPS-UHFFFAOYSA-N 328.371 4.019 0 40 EIAB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccccc1 1993595 XVCNINOIYTXSQE-BUHFOSPRSA-N 337.419 4.007 0 40 EIAB O=C(c1ccc(Br)cc1)c1ccccc1CN1CC=CC1 2515887 GKTJZOQKQJGUCD-UHFFFAOYSA-N 342.236 4.052 0 40 EIAB CC(=O)[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(C)c1 2616074 CNKAGKCCPQCILE-GOSISDBHSA-N 329.827 4.343 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccs1 2647219 CZPMDYCUAPTWLA-UHFFFAOYSA-N 325.418 4.377 0 40 EIAB Cc1ccc(C(C)C)c(OCCNC(=O)CCc2ccccc2)c1 3127099 MCCXOXHXOBPTAI-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB O=C(C1CCCCC1)N1CCN=C1SCc1cccc(Cl)c1 4120597 HTJBJQBUQBLBML-UHFFFAOYSA-N 336.888 4.352 0 40 EIAB CC(C)CC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1 5277565 PKTGXZNESAAPEV-UHFFFAOYSA-N 329.469 4.395 0 40 EIAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5374128 NFQVQKFQZQGXEY-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 5513697 KDDCZEOOWGMFGU-UHFFFAOYSA-N 347.414 4.455 0 40 EIAB COc1ccc(Cn2c(S)nnc2-c2cc3ccccc3o2)cc1 5910834 MMNPWZDEXJFMQY-UHFFFAOYSA-N 337.404 4.037 0 40 EIAB O=C(NC1CCCCCC1)c1cccc(NC(=O)c2cccs2)c1 7136670 CDRJCPRYFOBDOK-UHFFFAOYSA-N 342.464 4.453 0 40 EIAB COc1ccc(CN(C)[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 7682655 NOOTWGBWDJAQTD-OAHLLOKOSA-N 337.423 4.247 0 40 EIAB CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccccc1 8254070 QROBAJUVWCWWCC-UHFFFAOYSA-N 349.858 4.054 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 8494299 ZLXCPFLVRREGHI-NSHDSACASA-N 339.313 4.120 0 40 EIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(F)cc1 8756187 JNQYISYUCYMHCX-UHFFFAOYSA-N 330.359 4.270 0 40 EIAB Cc1sc(CNC(=O)c2ccccc2)nc1-c1ccc(F)cc1 9836373 WKPRZZPJDWTVTR-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB COC(=O)C1(Cc2ccccc2-c2cc(C)cc(C)c2)CCOCC1 12408138 UTSJFSWMQMNMBZ-UHFFFAOYSA-N 338.447 4.483 0 40 EIAB COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)c1 12469392 NDMGZDZLWNUWEX-DLBZAZTESA-N 340.814 4.086 0 40 EIAB CSCC[C@H](NC(=O)CC1CCCC1)c1nc2ccccc2[nH]1 12579732 PMSWBEKKIGZCKS-INIZCTEOSA-N 331.485 4.054 0 40 EIAB COCCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 12809423 NUNLVRKXPDBCHN-UHFFFAOYSA-N 349.515 4.073 0 40 EIAB O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/COc1ccccc1 12960051 RPWKCCRFSJKBCQ-YRVHBARZSA-N 337.419 4.423 0 40 EIAB COc1cc(NC(=S)Nc2ccc(F)cc2)c(OC)cc1Cl 13790462 MLZBSQNPFARSCO-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 14291473 JDUCYZHAWMTROQ-UHFFFAOYSA-N 334.199 4.074 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 16115916 FPFRIIVGTRKFAQ-OXUXUCFPSA-N 348.229 4.251 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(N2CCCCC2)cc1 20481320 NYPBEMMZIISGGR-NRFANRHFSA-N 334.463 4.484 0 40 EIAB O=C(c1ccc(F)cc1)N1CCCC[C@@H]1CCN1CCCCCC1 21170779 UYULQYXBYQPHDE-LJQANCHMSA-N 332.463 4.087 0 40 EIAB CC(C)n1nccc1NC(=O)c1ccc(C2SCCS2)cc1 22288628 ZQQMNSNVWGSDCX-UHFFFAOYSA-N 333.482 4.195 0 40 EIAB Brc1ccccc1SCc1noc(-c2ccco2)n1 22956439 AZESQUUUOYBVMV-UHFFFAOYSA-N 337.198 4.384 0 40 EIAB CC[C@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)CCO1 23888104 RLHMJMPXSVTVLH-AWEZNQCLSA-N 343.427 4.113 0 40 EIAB Cc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)s1 27223033 XGWVQVAFVCAZSA-IBGZPJMESA-N 337.492 4.469 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc2ccc(F)cc2s1 27664146 TZAKCODTQACNJY-CQSZACIVSA-N 348.374 4.371 0 40 EIAB O=C(CCCc1ccccc1)Nc1ccc(-n2cc(Cl)cn2)cc1 28303556 XAAPFZFRTRHNEH-UHFFFAOYSA-N 339.826 4.487 0 40 EIAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 29482268 VHGYWYZOMPSGHF-QGZVFWFLSA-N 348.368 4.263 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 32914214 QESPPESNOULDFD-GUYCJALGSA-N 345.402 4.082 0 40 EIAB CC(C)(C)NC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 33278947 DSODJQLFPWLYMX-UHFFFAOYSA-N 339.370 4.071 0 40 EIAB Cc1sc2c(c1-c1ccccc1)c(=O)nc1n2Cc2ccccc2-1 36611855 LZSVOQOPLUJDHA-UHFFFAOYSA-N 330.412 4.462 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1Cl 38698605 IVFPBOVGSSCNEM-UHFFFAOYSA-N 346.789 4.248 0 40 EIAB CC1CCN(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1 38772305 QBMYRRUZPXOVBU-UHFFFAOYSA-N 326.415 4.310 0 40 EIAB Cc1ccc(OCCC(=O)Nc2ccccc2OC(F)F)cc1C 40060220 SHHKDFCBZYMPMI-UHFFFAOYSA-N 335.350 4.312 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(O)cc1 41677257 NFNRCLLLIBMWGE-UHFFFAOYSA-N 344.461 4.158 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1 44949101 TUQMUVSTKAOJMH-KXBFYZLASA-N 327.424 4.038 0 40 EIAB C[C@@H](NC(=O)c1ccc2nccn2c1)c1ccc(-c2ccccc2)cc1 58300418 GLSXZYSRYUNKED-MRXNPFEDSA-N 341.414 4.492 0 40 EIAB C[C@H](OC(=O)c1ccccc1F)c1nc2ccccc2n1C(F)F 58511717 LWPXVPOWOXHJSR-JTQLQIEISA-N 334.297 4.489 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)OCc2ccccc2)c1 72221873 POXPWGHQUCOBCG-GOSISDBHSA-N 341.407 4.178 0 40 EIAB CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C)C1 72305255 CLZCHNXWRMROKB-LSDHHAIUSA-N 340.920 4.193 0 40 EIAB Cc1ccc2nc(NS(=O)(=O)c3cc(C)c(C)cc3C)sc2c1 72414492 OSUDALIIWZOYPW-UHFFFAOYSA-N 346.477 4.331 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCC[C@H]1CC1CCCCC1 84012023 PNAHIPGIRDHQFD-KSSFIOAISA-N 346.519 4.242 0 40 EIAB CC[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1nccs1 89948036 JQTBKVZPNMBPCP-INIZCTEOSA-N 347.459 4.498 0 40 EIAB Cc1csc(-c2cccc(C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)c2)n1 95459014 RKDUDMXRIAJLKD-IAGOWNOFSA-N 344.480 4.052 0 40 EIAB COc1cccc(N2CCC(NC(C)(C)Cc3ccccc3)CC2)c1 95462735 DKRKNPGXNIRTEQ-UHFFFAOYSA-N 338.495 4.275 0 40 EIAB CC(C)Sc1ccccc1NC(=O)N(CCO)C1CCCCC1 95467142 DBFBMNGOPXZZEE-UHFFFAOYSA-N 336.501 4.346 0 40 EIAB CCc1noc(C)c1NC(=O)Nc1cccc(-c2nc(C)co2)c1 95942687 IVFHDCNEWDIYFI-UHFFFAOYSA-N 326.356 4.153 0 40 EIAB CC[C@H](C(=O)NCCc1cscn1)c1cccc(C(F)(F)F)c1 96460421 VKMLLQRSUAYTLW-AWEZNQCLSA-N 342.386 4.014 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc(-c3cccs3)on1)C2 102782313 ACOHMRZSUOLVFY-POHZPAGDSA-N 330.453 4.348 0 40 EIAB O=C(CCSc1ccccc1)N1CCS[C@H](c2ccco2)CC1 207010472 IGHJXANGSWDLDY-KRWDZBQOSA-N 347.505 4.469 0 40 EIAB COc1cc(C=O)cc(OC)c1OCc1ccc(Cl)cc1Cl 216808902 FOOQXZNIBVKDJH-UHFFFAOYSA-N 341.190 4.402 0 40 EIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222823682 DUBVQFOPSKGQRX-SJORKVTESA-N 342.512 4.019 0 40 EIAB Cc1cc(OCC(=O)NC(C)(C)Cc2ccccc2)ccc1Cl 223779067 ZSNFZEPBEWHNJI-UHFFFAOYSA-N 331.843 4.165 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224414963 OHXPTDOPTIIDRX-QGZVFWFLSA-N 346.430 4.387 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)COc2ccccc2)c1 225122046 QMLIUIDQCAUBSG-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CN(C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc2ccccc2s1 225448073 HROJFDFKXQMJMR-AWEZNQCLSA-N 336.416 4.019 0 40 EIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4)OCC[C@@]31C2 257265480 LYUVDQCZWYMZCL-AABFTTDASA-N 341.495 4.404 0 40 EIAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccco3)sc1CC2 409058522 YCMFYAXGRXGUOP-UHFFFAOYSA-N 340.404 4.071 0 40 EIAB Cc1ccc(-c2csc(CN3[C@@H](C)[C@@H](C(=O)O)CC[C@H]3C)n2)cc1 580466525 DIEPRWCUSIMWRU-YCPHGPKFSA-N 344.480 4.192 0 40 EIAB CSC1CCN(C(=O)c2ccc(Oc3cccc(C)c3)cn2)CC1 601688342 HMUIXZXHGOADMS-UHFFFAOYSA-N 342.464 4.150 0 40 EIAB Brc1cnn(C2C[C@@H]3CC[C@H](C2)N3CC2CCCC2)c1 1776009545 HTLHDIUJHCMKKR-XYPWUTKMSA-N 338.293 4.004 0 40 EIAB Cc1ccccc1NC(=O)NCc1ccc(-c2c(C)noc2C)o1 1889206529 URLCOQRTTZWSFD-UHFFFAOYSA-N 325.368 4.182 0 40 EIAB [O-][n+]1ccccc1Sc1nnc(Cc2ccccc2)c2ccccc12 3374 FAABMTAUWLVLEM-UHFFFAOYSA-N 345.427 4.005 0 40 EIAB CCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 70775 PBPVVDCDIRQTTG-PTNGSMBKSA-N 327.767 4.083 0 40 EIAB CCOc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 362562 PDNOSNSSZXWSPH-UHFFFAOYSA-N 333.453 4.184 0 40 EIAB S=C1N(c2ccccc2)[C@H](c2ccc(Cl)cc2)N2CCCN12 509673 AXTIMGDLGCBLQL-MRXNPFEDSA-N 329.856 4.066 0 40 EIAB CCC(CC)c1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 804685 HYFOOEGMZQGSRQ-UHFFFAOYSA-N 339.848 4.356 0 40 EIAB C[C@H](C(=O)n1nnc2ccccc21)N(c1ccccc1)c1ccccc1 1633824 LRFFERGRTBINMU-MRXNPFEDSA-N 342.402 4.298 0 40 EIAB Cc1ccccc1Cn1cc(NC(=O)c2ccccc2Cl)cn1 2767876 VYAFFUJQSSZIHU-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Oc1ccc(Cl)cc1Cl 2998151 GWJHHKKMOALZFC-UHFFFAOYSA-N 347.219 4.078 0 40 EIAB O=C1CSC2=NC(c3ccc(Cl)cc3)=C[C@@H](c3ccccc3)N12 3210354 SJSOCOIXCCYEKC-INIZCTEOSA-N 340.835 4.367 0 40 EIAB O=C(CSc1ncnc2ccccc12)Nc1ccc(F)c(Cl)c1 3244288 VVCXZCHMAFFDMP-UHFFFAOYSA-N 347.802 4.153 0 40 EIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 3356455 KTZDOJSDVOHDAB-UHFFFAOYSA-N 336.391 4.167 0 40 EIAB O=C(NCc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 3438629 MUJMFONRDVFPHG-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB COc1cccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1OC 4479369 UWACTZSUIRIGKK-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB C[C@H]1CCc2nc(NC(=O)CSc3ccc(F)cc3)sc2C1 4496711 OTRSMFSRBVPDNM-JTQLQIEISA-N 336.457 4.138 0 40 EIAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 4854193 MJDQEQCIQKXCOI-HXUWFJFHSA-N 347.418 4.134 0 40 EIAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C 4994082 NEODPFOSQZMKDH-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB CCn1nnc2c(NC3CCCCCCCCCCC3)ncnc21 5250488 FBAUJIRQOVBMRC-UHFFFAOYSA-N 330.480 4.326 0 40 EIAB Cc1ccc(C(=O)NCCc2csc(-c3cccs3)n2)cc1 5451353 IXCBMYPJCQKKTA-UHFFFAOYSA-N 328.462 4.153 0 40 EIAB C[C@H]1CCC[C@H](NC(=O)[C@@H](C)Sc2nc3ccccc3o2)[C@@H]1C 5628900 BCRLLYGESUBULV-DGAVXFQQSA-N 332.469 4.249 0 40 EIAB Cc1noc(C)c1COc1ccc(C(=O)c2ccc(F)cc2)cc1 5779665 JHYITXYRKGSPJK-UHFFFAOYSA-N 325.339 4.241 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1 6316462 ARGQXTAEWVIEII-UHFFFAOYSA-N 327.808 4.403 0 40 EIAB COc1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1 6624457 ITNCHSZVTBOMMN-NRFANRHFSA-N 340.467 4.476 0 40 EIAB biogenic CCc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 7612376 WGNBCQZRFUOFGO-UHFFFAOYSA-N 340.810 4.468 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(F)cc3)ccc2c1 8136598 GWZPFFZIIUWFKD-AWEZNQCLSA-N 337.394 4.407 0 40 EIAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3)on2)cc1 8915202 MGDNCRJXWKLKJB-ZDUSSCGKSA-N 340.354 4.195 0 40 EIAB O=C(/C=C/c1cc2ccccc2o1)Nc1cccc(N2CCCC2=O)c1 9051013 SIBGWDPDKXHYTR-ZHACJKMWSA-N 346.386 4.212 0 40 EIAB COc1cc(NC(=O)c2cccc3ccccc23)cc(OC)c1OC 9315241 OCVRCPVUTLCICI-UHFFFAOYSA-N 337.375 4.118 0 40 EIAB Cc1ccccc1OCc1nnc(-c2ccc(Br)cc2)o1 9483424 LCZAHHBQZDVMKZ-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB CCn1c(C)cc2cc(NC(=O)c3cc(-c4ccccn4)n[nH]3)ccc21 12147239 FWNDEMJXGXRMKB-UHFFFAOYSA-N 345.406 4.007 0 40 EIAB Cc1cccc(N[C@@H](c2ccc3ccccc3c2)P(=O)(O)O)c1 12523576 KXCAYIGWYCCKRL-GOSISDBHSA-N 327.320 4.437 0 40 EIAB CCN(C(=O)Cn1c(-c2ccco2)nc2ccccc21)c1ccccc1 12604318 CCVDEJYHQVUIKB-UHFFFAOYSA-N 345.402 4.349 0 40 EIAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccn2)c1 13036284 CLCKHSGCPXWGSY-PZJWPPBQSA-N 343.386 4.030 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Oc1ccccc1Br 14393476 DXOVEUDXJFXQQX-UHFFFAOYSA-N 330.181 4.079 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc12 14722423 VEUOHWMYHYZYHV-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB O=C(CCC1OCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 15441265 ASJYCZCBBUTMAS-UHFFFAOYSA-N 342.235 4.060 0 40 EIAB Cc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1 15669573 VFVXPDCROCSVCQ-UHFFFAOYSA-N 327.409 4.068 0 40 EIAB CCCn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc21 17015777 QRGKWXHZWFMTHW-UHFFFAOYSA-N 334.379 4.148 0 40 EIAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 17071212 UWAAAUZTMKPFFH-SNVBAGLBSA-N 340.370 4.407 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 20111610 DGIMIZYSRAALKA-QGZVFWFLSA-N 340.467 4.243 0 40 EIAB O=C(Cc1cccs1)Nc1nc2c(s1)CCc1ccccc1-2 22672885 SKPIRUOPKILRJB-UHFFFAOYSA-N 326.446 4.151 0 40 EIAB CCOC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1 25954812 GUMGHHPROZVSCM-UHFFFAOYSA-N 341.338 4.236 0 40 EIAB Cc1ccc2nc(S[C@H](C)c3nc(-c4ccco4)no3)[nH]c2c1 29738135 OJMUJKBIMJSGFD-SNVBAGLBSA-N 326.381 4.368 0 40 EIAB Cc1noc2ncc(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3)cc12 30314761 PIBDLNVBZQDSHE-LLVKDONJSA-N 329.787 4.018 0 40 EIAB CC(=O)c1csc(NC(=O)CCc2cccc(Cl)c2Cl)n1 31709728 RXQXUGBWRZQPML-UHFFFAOYSA-N 343.235 4.224 0 40 EIAB COc1ccc(CSc2noc(-c3ccc(F)cc3)n2)cc1OC 32611980 JUWPWNCGORMTLK-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB COC(=O)c1cccc(COc2ccc(C(=O)c3ccccc3)cc2)c1 33581385 OUASFPSSZIXAOE-UHFFFAOYSA-N 346.382 4.283 0 40 EIAB CC(C)c1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 33908399 FMUVTAXZJKTZJG-ATVHPVEESA-N 344.480 4.290 0 40 EIAB O=C(NCCc1ccccc1)c1cc2occc2n1Cc1ccccc1 35474941 XMNQDYIBIILOEF-UHFFFAOYSA-N 344.414 4.255 0 40 EIAB COC(=O)c1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1 48361466 FRIKKKJMZHRFDU-UHFFFAOYSA-N 342.782 4.394 0 40 EIAB O=C(CCc1ccccc1)N1CCC(COCc2ccccc2)CC1 49028724 WSTCIFKJHOOCRI-UHFFFAOYSA-N 337.463 4.075 0 40 EIAB Cc1cccc(CCNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57413562 PSTOIKJPXGNYDU-UHFFFAOYSA-N 339.826 4.011 0 40 EIAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1C(F)(F)F 59959015 MQTVUYKYIZEBEG-ZROIWOOFSA-N 335.256 4.189 0 40 EIAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1nccs1 65487967 XSKLBCBFZRZOHI-UHFFFAOYSA-N 333.800 4.378 0 40 EIAB CC(C)Cn1c(SCCc2ccccc2)nc2ccccc2c1=O 67258724 XAERIKYEGKZFDU-UHFFFAOYSA-N 338.476 4.387 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1C 68380350 UPONKCKJMNBBRS-QUCCMNQESA-N 348.446 4.093 0 40 EIAB O=C(C1CCC1)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 69418961 JIHFSJKHERLFCG-QGZVFWFLSA-N 327.403 4.070 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccccc1)CC1CCC1 69780520 FRSUOWICRQEGAX-AWEZNQCLSA-N 326.440 4.224 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C 71843938 SIWFRZQWKUWBDM-HZPDHXFCSA-N 345.487 4.282 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 77711868 WGHKCCUAPKIHMY-LJQANCHMSA-N 349.438 4.477 0 40 EIAB CCOCc1ccccc1NC(=O)Nc1ccc2oc(C)nc2c1 79101450 DXGILKOYIBZEFV-UHFFFAOYSA-N 325.368 4.317 0 40 EIAB c1ccc(OCCn2ccnc2)c(NCc2cccc3cccnc23)c1 89814370 KZFSICCPLQELEP-UHFFFAOYSA-N 344.418 4.122 0 40 EIAB O=C(N[C@H]1CCCc2occc21)N[C@H](c1ccccc1)c1ccncc1 89827675 BMNAFHZMYQFYJH-AZUAARDMSA-N 347.418 4.141 0 40 EIAB Cc1coc(-c2cccc(NCc3ccccc3N3CCOCC3)c2)n1 95429331 OQNYAQVJXSNEMD-UHFFFAOYSA-N 349.434 4.099 0 40 EIAB CC(C)C(=O)Nc1ccc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 95990524 DMBIXYFZXSHCFJ-BSEYFRJRSA-N 344.480 4.192 0 40 EIAB COC(=O)c1cc(NC(=O)c2cc(C)c(C)cc2C)ccc1Cl 96725881 LRBJTTZQSOPUGF-UHFFFAOYSA-N 331.799 4.304 0 40 EIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 222928851 AGJCJBGKQCBHBI-ROUUACIJSA-N 342.512 4.093 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(C)c1 224387475 DBRDPDMGXWLMDF-APWZRJJASA-N 341.451 4.347 0 40 EIAB O=C(NCC1=CCCCC1)c1cc(Br)ccc1Cl 225074769 KXLKIPFERCUBRX-UHFFFAOYSA-N 328.637 4.333 0 40 EIAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)OCc1ccccc1 225092866 FUCLQBJAIWTXBC-OAHLLOKOSA-N 325.191 4.206 0 40 EIAB Cc1cc(N)cc(Br)c1NC(=O)c1cc2ccccc2o1 226756021 CHDVIKMCQRTRKA-UHFFFAOYSA-N 345.196 4.338 0 40 EIAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3)n2)c1 257205982 BBJHOFFARUNJHZ-QGZVFWFLSA-N 349.413 4.236 0 40 EIAB COc1ccccc1/C=C/C(=O)NCCSCc1ccccc1C 409024240 HTOVHXYMNZKLAZ-VAWYXSNFSA-N 341.476 4.066 0 40 EIAB CCOC(Cn1c(COc2ccccc2)nc2ccccc21)OCC 92330 JWERLBADCDHQNQ-UHFFFAOYSA-N 340.423 4.014 0 40 EIAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C2(CCCCC2)O1 201128 XADDEUNOKRZRLW-NSHDSACASA-N 342.222 4.198 0 40 EIAB O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 324841 WMEZZVONCBUCOG-UHFFFAOYSA-N 348.406 4.148 0 40 EIAB CC1CCN([C@@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 1555483 NPQYEFLERKBEHZ-FQEVSTJZSA-N 335.447 4.243 0 40 EIAB CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCCC2 2211588 XGCIMJYYDLENBR-UHFFFAOYSA-N 327.497 4.066 0 40 EIAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccncc1 3063502 IOXPMDDEAPUIQK-SFHVURJKSA-N 341.303 4.424 0 40 EIAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 3424736 CGVDQZOJIBKUOY-JOCHJYFZSA-N 344.414 4.115 0 40 EIAB O=C(c1ccccc1F)N1CCN=C1SCc1cccc(Cl)c1 4120620 TYVLENUIOKMKOR-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1nc2cc(-c3cccc(Cl)c3)nn2c(NCC2CC2)c1C 4966845 LKXCQCCRYMHZMW-UHFFFAOYSA-N 326.831 4.488 0 40 EIAB O=C(Cn1cnc2ccccc2c1=O)c1ccc(C2CCCCC2)cc1 5316262 BKQJJDDDOPHSHJ-UHFFFAOYSA-N 346.430 4.327 0 40 EIAB c1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 5556975 SVEGGFBAMCRNEL-UHFFFAOYSA-N 332.432 4.167 0 40 EIAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc2C1 6084854 BERSTKLDRUWUOL-GFCCVEGCSA-N 349.261 4.379 0 40 EIAB COc1ccc(OCc2cc3c(C(F)(F)F)nn(C)c3s2)cc1 6219334 OOMYANCBTSWOGV-UHFFFAOYSA-N 342.342 4.241 0 40 EIAB O=CN[C@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 6575245 LJZMOJOZQPTPTJ-JOCHJYFZSA-N 331.415 4.295 0 40 EIAB O=C1C(=O)N(Cc2cccc(Cl)c2)c2c1cccc2C(F)(F)F 6719734 RWPZVMUTYCCAGW-UHFFFAOYSA-N 339.700 4.088 0 40 EIAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 6871700 IMXWYCUBUSELBW-UHFFFAOYSA-N 330.391 4.138 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 6887247 OZOAHCXAQVITDG-UHFFFAOYSA-N 345.826 4.188 0 40 EIAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1cc2ccccc2o1 8231055 VNQCPLYLCPKEIS-UHFFFAOYSA-N 341.417 4.254 0 40 EIAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OCC 8326636 SMLJGOJRBRHGKL-NSHDSACASA-N 330.266 4.135 0 40 EIAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 8327436 WVNOCKDZGMOKKP-SJLPKXTDSA-N 349.478 4.402 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)cc1C 8492624 LKNLWPZLUIUKCZ-INIZCTEOSA-N 335.513 4.253 0 40 EIAB Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1 8583015 JBUHXBNLRQMCNV-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB Cc1ccc(/C=C/C(=O)OCc2c(F)c(F)c(F)c(F)c2F)o1 9638414 KBSXKYDMPMPOFG-SNAWJCMRSA-N 332.224 4.040 0 40 EIAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 10156533 VSVKDAHADIKQQV-MRXNPFEDSA-N 329.403 4.441 0 40 EIAB O=C(CCc1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1 11917016 YXEFVAZUKWXVHT-UHFFFAOYSA-N 342.826 4.038 0 40 EIAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)c(F)c1 12235657 ZJJSVTQCHILXLC-UHFFFAOYSA-N 348.736 4.203 0 40 EIAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCc2ccccc2C1 12391670 OFGTYYROOWJJJE-GOSISDBHSA-N 340.810 4.005 0 40 EIAB Cc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1F 12487884 BICINWKPELDQQF-UHFFFAOYSA-N 349.409 4.127 0 40 EIAB Cn1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc21 12561868 XGTUNWWEKNOHMX-INIZCTEOSA-N 340.423 4.284 0 40 EIAB C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 12821570 UUYYRYNFKUNYNK-JYBZGJHDSA-N 347.764 4.008 0 40 EIAB O=C(Nc1ccccc1)N1CCCC[C@@H]1CCN1CCCCCC1 13721254 RQWKKFZNTQLDCG-LJQANCHMSA-N 329.488 4.339 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2ncsc2c1 14239550 JEEGAFUEVHYULB-UHFFFAOYSA-N 334.803 4.361 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)NCCSc1ccccc1 14396609 NHPULUVPPFSERC-UHFFFAOYSA-N 349.883 4.408 0 40 EIAB COc1ccc2c(CC(=O)Nc3cccc4cccnc34)coc2c1 14516788 KENUYKZNWRZWPI-UHFFFAOYSA-N 332.359 4.171 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 16301398 OQPYLZZMHLARSB-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB COc1cccc2cc(C(=O)NCCSCc3ccccc3)oc12 19887842 PJCYXGBXNFFOKN-UHFFFAOYSA-N 341.432 4.105 0 40 EIAB CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(C)cc1 20112675 JJRNLJUKNIZUSU-QGZVFWFLSA-N 337.872 4.219 0 40 EIAB COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 26894633 GICRIQQPXPKWNB-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB Cc1nc(NC(=O)c2sc(Cc3ccccc3)nc2C)sc1C 28243269 LCUZIYYYSRJPFQ-UHFFFAOYSA-N 343.477 4.368 0 40 EIAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)s1 29268038 MIVPTCONJIJNEU-UHFFFAOYSA-N 339.464 4.261 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cc(F)cc(F)c1 30500646 OPQONVVXJJNJTR-UHFFFAOYSA-N 341.357 4.059 0 40 EIAB FC(F)n1c(COc2ccc(-c3nnco3)cc2)nc2ccccc21 31705449 KCWNKVCTGNMGGZ-UHFFFAOYSA-N 342.305 4.060 0 40 EIAB CC1(C)C[C@@H](N[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 32124141 UNXPLMJNVBBABN-PXNSSMCTSA-N 339.435 4.052 0 40 EIAB biogenic CN(Cc1cccs1)C(=O)NCCc1ccc(C(F)(F)F)cc1 32843795 QNKMBIYJZLLKJK-UHFFFAOYSA-N 342.386 4.151 0 40 EIAB CSc1ccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)cc1 35592670 NYAUMUHLFWCHIU-UHFFFAOYSA-N 349.415 4.275 0 40 EIAB CCCN(Cc1ccc(C)cc1)C(=O)c1cc(Br)c[nH]1 37497910 MMESGKUVHQIMQN-UHFFFAOYSA-N 335.245 4.138 0 40 EIAB in-vitro CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(C)cc1OC 41095044 HECDJXLPVBENSQ-UHFFFAOYSA-N 345.892 4.000 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCCCC1 48332852 WZBQICWUMITONN-MRXNPFEDSA-N 341.282 4.143 0 40 EIAB O=C1c2ccccc2N[C@@H](c2cn3ccccc3n2)N1c1ccccc1 58166328 DENOCIFHVLYTRZ-HXUWFJFHSA-N 340.386 4.105 0 40 EIAB O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 60369742 QHFRKFBANUQGIP-WBVHZDCISA-N 337.423 4.147 0 40 EIAB Cc1nc2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2nc1C 63338392 IHHHOYGUTCGDHJ-UHFFFAOYSA-N 349.409 4.195 0 40 EIAB CC(=O)c1cc(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)n(C)c1 65475604 MHSXDFXKIVVFAZ-UHFFFAOYSA-N 337.423 4.091 0 40 EIAB COCc1ccccc1CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F 65587411 SNTPNASLQSAJFC-CYBMUJFWSA-N 348.393 4.014 0 40 EIAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)cc1 67898654 ARPWMJJQCQVNEN-IBGZPJMESA-N 325.456 4.091 0 40 EIAB biogenic,in-vitro COc1ccccc1-c1c[nH]cc1C(=O)NCc1ccc(Cl)s1 69519977 JDWAWNMAAKMEDR-UHFFFAOYSA-N 346.839 4.335 0 40 EIAB CC(=O)c1c(C)nc(C)nc1SCc1csc(-c2ccoc2)n1 71888023 UVOOVEPJGQJRCE-UHFFFAOYSA-N 345.449 4.305 0 40 EIAB Cc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c(C(C)C)s1 72402247 CUACLFMXJMTANG-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB COC(=O)c1cccc(NCc2c[nH]nc2-c2cc3ccccc3o2)c1 95457003 GSNLYDBIVTZCNO-UHFFFAOYSA-N 347.374 4.222 0 40 EIAB COc1cccc([C@@H](CNC(=O)c2cc3ccccc3s2)OC)c1 96390132 QMVXFIFZHQYVDX-MRXNPFEDSA-N 341.432 4.027 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1 96621760 DUNYWCKJTMDYHG-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB C[C@@H](NCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCC(=O)N2 97033126 BKPLPDQGQFGNHJ-CQSZACIVSA-N 347.418 4.077 0 40 EIAB CCCn1cc([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 100757754 GQLNCJJBSSFSBK-GOSISDBHSA-N 346.430 4.407 0 40 EIAB biogenic Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1 102606211 PYNLSFJIGKYLLG-FSAOVCISSA-N 345.442 4.233 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 219512222 JXCMMNXIPIQCFE-SFHVURJKSA-N 325.452 4.128 0 40 EIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223369513 VOZHXXDXURKKLR-OALUTQOASA-N 349.459 4.156 0 40 EIAB CNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225432169 IOJCMCUGVJXTQE-UHFFFAOYSA-N 333.391 4.164 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1C 225652203 MGYFYBBZRSIKGH-GOSISDBHSA-N 325.452 4.426 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1Cl 226347028 ZHPGBVANHWPUMD-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB Cc1noc(C)c1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 333638904 BWQJCOUYKWXIIN-ZDUSSCGKSA-N 325.368 4.034 0 40 EIAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](OCC2CC2)C1 390831255 QSMLCJBKYHXMFY-SFHVURJKSA-N 327.449 4.056 0 40 EIAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1ccccc1F 408725135 JMRYXHXOUCIPPL-OQLLNIDSSA-N 346.358 4.071 0 40 EIAB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)N(C)C1=S 409039879 XDNBFUDSHLVIPB-UVTDQMKNSA-N 346.839 4.020 0 40 EIAB O=C(COCc1ccccc1)c1ccc(OC(F)(F)C(F)F)cc1 575361193 UIQCFISXPVKNTM-UHFFFAOYSA-N 342.288 4.323 0 40 EIAB O=C(c1ccc(Br)cc1)N1CC[C@@H](c2ccsc2)C1 667373778 JFYPVNQLZKZHJD-GFCCVEGCSA-N 336.254 4.140 0 40 EIAB CCCC1(CNC(=O)c2ccc(OCC(C)C)c(OC)c2)CCC1 1630489429 DRLOXPVIWLAQTM-UHFFFAOYSA-N 333.472 4.430 0 40 EIAB CSc1ccccc1NC(=O)c1ccc2nc(C(C)(C)C)cn2n1 1888909520 OAUSXYQNEYSRCF-UHFFFAOYSA-N 340.452 4.001 0 40 EIAB Cc1cccc(C)c1Nc1nc2nonc2nc1Nc1ccccc1 206242 XJEQLCICFGEPBZ-UHFFFAOYSA-N 332.367 4.117 0 40 EIAB CC(=O)Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 1385869 QRWCYMWXTKVUOI-UHFFFAOYSA-N 329.705 4.270 0 40 EIAB C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(Cl)c23)C1 3887553 IMEWTDBWEQQPEJ-NSHDSACASA-N 335.904 4.455 0 40 EIAB CCCCc1ccc(NC(=O)C(=O)NC[C@H](CC)CCCC)cc1 4405509 YUTNCNZPCYBIDY-MRXNPFEDSA-N 332.488 4.300 0 40 EIAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1 4679237 LWAIRIMGERZCEH-UHFFFAOYSA-N 343.377 4.087 0 40 EIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(OC)cc2)n1 5910986 DLJSIHKHRSSGNV-UHFFFAOYSA-N 332.359 4.178 0 40 EIAB biogenic Sc1nc(-c2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 6000353 SVFZAPRXRSGBHL-UHFFFAOYSA-N 344.852 4.486 0 40 EIAB O=C(CSc1ncnc2sccc12)c1ccc2c(c1)CCC2 6115341 BVVANFAFCLFBDA-UHFFFAOYSA-N 326.446 4.155 0 40 EIAB Cc1cc(Br)c(O)c(C(=O)CSc2ccccc2)c1 6527709 KBLDBCZMMRBJTN-UHFFFAOYSA-N 337.238 4.438 0 40 EIAB CCCCN1C(=O)S[C@H](Cc2ccc(Cl)cc2Cl)C1=O 6647748 YAFRSJGXZQYHNE-GFCCVEGCSA-N 332.252 4.400 0 40 EIAB CC(C)CCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752575 HEXURXSTFIGXRQ-UHFFFAOYSA-N 341.499 4.321 0 40 EIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 7052381 BHULBLDSNDGCRU-ZDUSSCGKSA-N 331.437 4.204 0 40 EIAB COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112642 VQAADMNQHZDCRM-IBGZPJMESA-N 334.375 4.055 0 40 EIAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)o1 7778876 AUMRUAPZRTVFTD-JXWSOBEKSA-N 342.435 4.318 0 40 EIAB COc1cc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(OC)c1 8268823 HIRTXHXECNODEN-ZDUSSCGKSA-N 331.437 4.132 0 40 EIAB Cc1ccc(C)c(OCCC(=O)N[C@H]2CCSc3ccccc32)c1 8343107 SYFQYPGLXHQTIR-KRWDZBQOSA-N 341.476 4.426 0 40 EIAB Fc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1 8393125 MGRBDZMUXIUOIY-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB Clc1cc(CSc2ncnc3ccccc23)cc2c1OCCO2 8428888 BQERBPMFCKDIQH-UHFFFAOYSA-N 344.823 4.347 0 40 EIAB O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1ccc(F)cc1 8570264 ZGZVCHFFRJYOSE-LBPRGKRZSA-N 342.320 4.202 0 40 EIAB O=C1c2ccccc2NC2(CCCCC2)N1c1ccc2c(c1)OCO2 9157392 QHMKNKOCMVDIOY-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)c1 10215372 QNFOBAHMJAUJLQ-FPOVZHCZSA-N 343.386 4.030 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N(C)C)cc1 10328910 KFZLFVZLDIFILM-OAQYLSRUSA-N 332.447 4.181 0 40 EIAB C[C@H](CCc1ccco1)NC(=O)Cc1c(Cl)cccc1Cl 12904080 AKXALXTXUIJHAG-LLVKDONJSA-N 326.223 4.266 0 40 EIAB CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 12978629 MKGFPFHYXVCNLY-SFHVURJKSA-N 344.386 4.116 0 40 EIAB Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)C[C@@H]2C)cc1 13320382 JSRATZRMVQLBDA-HNNXBMFYSA-N 343.858 4.391 0 40 EIAB COc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC(C)C 14249843 TYMMQHBVHPMJSK-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB CCc1cccc(C)c1NC(=O)c1c(F)c(F)c(OC)c(F)c1F 14258153 DKRKAIVVIFYGBB-UHFFFAOYSA-N 341.304 4.375 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC=C2)cc1 15838513 OTBPHJNKRPQWAU-UHFFFAOYSA-N 349.386 4.180 0 40 EIAB Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 20034095 KSFSGFYNHHDWAZ-UHFFFAOYSA-N 343.195 4.027 0 40 EIAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1 20899692 UATBSYVDQFKCSV-UHFFFAOYSA-N 334.219 4.372 0 40 EIAB O=C(Nc1ccncc1)c1ccc(COc2ccc(Cl)cc2)o1 28234881 WMRGKZZIMDWRMB-UHFFFAOYSA-N 328.755 4.159 0 40 EIAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nc2ccccc2[nH]1 29268662 VAUNYTCFYLNXCD-CYBMUJFWSA-N 337.448 4.023 0 40 EIAB CN(Cc1nc2ccccc2[nH]1)C(=O)Cc1c(Cl)cccc1Cl 29329790 NDEDIGYZISQNHW-UHFFFAOYSA-N 348.233 4.071 0 40 EIAB Cc1ncc(-c2ccc(NC(=O)CCn3cnc4ccccc43)cc2)o1 29858536 HTPFZXZVCRGBIU-UHFFFAOYSA-N 346.390 4.029 0 40 EIAB CC[C@H](NC(=O)c1cccc(COC)c1)c1ccccc1OC(F)F 31755829 HVQKMMKNJFDAPO-INIZCTEOSA-N 349.377 4.316 0 40 EIAB Cc1cccc(/C=C(/C(=O)NCCc2ccccn2)c2cccs2)c1 32657485 XZAVWJAZNVCMDT-XDJHFCHBSA-N 348.471 4.351 0 40 EIAB O=C(NCCc1cccc(Cl)c1)c1cc(-c2cccc(F)c2)no1 32833382 NORLAUJECOSOKC-UHFFFAOYSA-N 344.773 4.107 0 40 EIAB COc1cc(C(=O)N2CCSc3ccccc32)cc(Cl)c1OC 32997857 CTIJHXPISGXHGI-UHFFFAOYSA-N 349.839 4.110 0 40 EIAB CC(C)c1noc(CCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1 33163000 NKPUNFFYAHIQNC-CYBMUJFWSA-N 345.468 4.043 0 40 EIAB COc1ccc(OC)c(Nc2nc(-c3cccc(N)c3)cs2)c1 33501199 SCONHFBVSNEXMU-UHFFFAOYSA-N 327.409 4.153 0 40 EIAB CC(C)c1ccc(-n2nnnc2C2(N3CCCC3)CCCCC2)cc1 35622679 IMFYWNWAGJACGS-UHFFFAOYSA-N 339.487 4.041 0 40 EIAB Cc1ccccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 38584934 LJYZDCPEJJZINQ-UHFFFAOYSA-N 343.496 4.090 0 40 EIAB CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2ccccc21 40120455 WVFHYWDNYNYMHB-QGZVFWFLSA-N 349.352 4.274 0 40 EIAB O=C(/C=C/c1ccccc1)N(Cc1ccsc1)CC(F)(F)F 44447467 IGGMOAWLGIIJAQ-VOTSOKGWSA-N 325.355 4.352 0 40 EIAB Cc1noc(C)c1CN(C)C(=S)Nc1cccc(C(F)(F)F)c1 46110624 KZPCXJFANBZKKA-UHFFFAOYSA-N 343.374 4.139 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1 47584179 MISFAEIEUXGVLP-NSHDSACASA-N 345.424 4.078 0 40 EIAB CN(Cc1cc(Br)cs1)C(=O)c1cc(F)ccc1F 48069474 WBWUUGNSSPISKK-UHFFFAOYSA-N 346.196 4.061 0 40 EIAB CC[C@@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)c1ccccc1 48202644 YJJFADSNILVQSE-GOSISDBHSA-N 333.391 4.401 0 40 EIAB O=C(NC1CCC(c2ccccc2)CC1)c1cc(-c2cccnc2)on1 49654356 ADBNPDNEZJORTC-UHFFFAOYSA-N 347.418 4.193 0 40 EIAB CSCc1ccc(NC(=O)Cc2nc(-c3ccco3)oc2C)cc1 66550790 NOVGMYZBXYRNMW-UHFFFAOYSA-N 342.420 4.287 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2=O)C(=O)c1ccc(F)cc1F 68182790 SFDSFEJFNOCEBB-LLVKDONJSA-N 330.330 4.134 0 40 EIAB O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1COc2ccccc2O1 68791623 XPKOUYPMOSZVEQ-HXUWFJFHSA-N 347.370 4.257 0 40 EIAB C[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)cs1 69703642 FLNSNHCLYGACBX-LLVKDONJSA-N 343.839 4.350 0 40 EIAB O=C(C1CCCC1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 69738743 ZPARWVJITDQQPY-UHFFFAOYSA-N 341.480 4.101 0 40 EIAB C[C@@H](CCNC(=O)c1cccnc1NC1CCCC1)c1ccccc1 70039289 IUDBAGJDLGQNSB-INIZCTEOSA-N 337.467 4.360 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1Br 72211637 SNBIBQQGIJZJNG-GFCCVEGCSA-N 341.249 4.306 0 40 EIAB c1ccc(CCCN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378672 WSUOYKBKUOEHKM-HXUWFJFHSA-N 346.478 4.080 0 40 EIAB CCN(CC)CCCNc1ncc(-c2ccco2)c(-c2ccco2)n1 72396571 DUYVBKBTVWNUEQ-UHFFFAOYSA-N 340.427 4.140 0 40 EIAB O=C(O)c1cn(C2CC2)c2cc(Cl)c(-c3ccccc3)cc2c1=O 72434070 AZJGRRKURPZHLD-UHFFFAOYSA-N 339.778 4.355 0 40 EIAB Cc1c(N)c(Br)cc2nn(-c3ccc(C(C)C)cc3)nc12 73740154 KGDARIKACCCNLZ-UHFFFAOYSA-N 345.244 4.197 0 40 EIAB CC(C)c1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 95472341 AMQXHKIDOSKESL-MRXNPFEDSA-N 345.468 4.305 0 40 EIAB Cc1ccc([C@H](NC(=O)c2ccc3nc4n(c3c2)CCC4)C2CC2)cc1 95950352 MLOSJULWXSXHFJ-NRFANRHFSA-N 345.446 4.172 0 40 EIAB CC1(C)CC(=O)Nc2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc21 96183000 DKYCJPNBJNCDSN-HOTGVXAUSA-N 334.419 4.049 0 40 EIAB Cc1csc(C2(NC(=O)Nc3cccnc3Cl)CCCC2)n1 96444417 NTEUIXNOMYLYJI-UHFFFAOYSA-N 336.848 4.091 0 40 EIAB CCn1nc(C)c(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c1C 97100087 WJJUUKOXQMUJKJ-BLLLJJGKSA-N 344.459 4.426 0 40 EIAB Cc1nn(C)c(C)c1C(=O)Nc1ccccc1Sc1ccccc1 141421642 NVKGJTHMBIRKOI-UHFFFAOYSA-N 337.448 4.440 0 40 EIAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C 222995363 UBMKHDNSTKJHSK-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB CCCOCc1cc(C(=O)NC2CCCCCC2)ccc1OCC 224702938 MAWCBJBSAUWONA-UHFFFAOYSA-N 333.472 4.465 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCC1 224870810 CLLAKQWLRNSISO-OAHLLOKOSA-N 347.524 4.125 0 40 EIAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224913797 PQWRNGUCYBTRQB-UHFFFAOYSA-N 327.808 4.003 0 40 EIAB CCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1OCC 225067890 KBSKGRDGHWDCBQ-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NC(C)(C)Cc2ccccc2)c1 225759977 KXGJGNOSGDJWIA-UHFFFAOYSA-N 325.452 4.128 0 40 EIAB CC(C)N(Cc1cccn1C)C(=O)c1ccc2sc(Cl)nc2c1 225984681 YNEAFVMJQVKTEY-UHFFFAOYSA-N 347.871 4.339 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCc2sc(Cl)cc2C1 575615995 LBJJOCILRWGCFQ-UHFFFAOYSA-N 334.853 4.210 0 40 EIAB CC(C)Oc1ccc2c(c1)[C@H](NC(=O)c1cc[nH]c1C1CC1)CCC2 585080986 WFPFVCNRKPPIQF-LJQANCHMSA-N 338.451 4.487 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)NCCn1ccc2ccc(F)cc21 604419684 UQPHPTWKLYVCFP-UHFFFAOYSA-N 349.409 4.011 0 40 EIAB O=C(N1CCC[C@@H](c2c[nH]c3ncccc23)C1)C1(C(F)F)CCCC1 606445291 WPBWAPPCBMIYQQ-CYBMUJFWSA-N 347.409 4.094 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 44521 FGCPODKOHFCFQE-LBPRGKRZSA-N 329.469 4.338 0 40 EIAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 66507 YJXFBQKEPWZBQE-UHFFFAOYSA-N 344.366 4.350 0 40 EIAB CC(C)(C)CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 324699 IAZNNJBFEVRHQA-OAHLLOKOSA-N 327.428 4.226 0 40 EIAB O=c1c2ccccc2nc(C(Cl)(Cl)Cl)n1-c1ccccc1 368740 IHKIXGXDXVZDEO-UHFFFAOYSA-N 339.609 4.212 0 40 EIAB O=C(O)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1673077 WBOWCSGYFWATPV-LJQANCHMSA-N 331.371 4.421 0 40 EIAB Cc1ccccc1-c1nnc(SCCOc2ccccc2F)n1C 2628180 IKJKOECFVPHKCT-UHFFFAOYSA-N 343.427 4.101 0 40 EIAB CCc1ccc(C(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 4286621 JQFWWSVYMLWEPO-HNNXBMFYSA-N 349.430 4.478 0 40 EIAB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Oc2ccccc2)c1 4660981 GYGQVCKFKKMGTA-UHFFFAOYSA-N 341.348 4.096 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1c[nH]c2cc(Cl)ccc2c1=O 5086244 PTGBQEWDVWZMBZ-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB CSc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 5264580 GOXMPUNYTZMZAR-UHFFFAOYSA-N 343.477 4.337 0 40 EIAB C[C@@]12C[C@H](C(=O)O)[C@@](C)(C1=O)C(c1ccccc1)=C2c1ccccc1 5542499 FMCRQNULZBIBDZ-URZJWIJPSA-N 332.399 4.297 0 40 EIAB Cc1ccc(NC(=O)CSC2CCCC2)c(Br)c1 6784797 WAOKCFYMDBIJFH-UHFFFAOYSA-N 328.275 4.372 0 40 EIAB Cc1ccc(C)c(CSC2=NS(=O)(=O)c3ccc(C)cc3N2)c1 6918642 MWJGHLOADJQFEF-UHFFFAOYSA-N 346.477 4.015 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(N)cc2)cc1 7468312 YIIQAGXYNOUVCY-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1F 8114805 RXFZMKHAZLWRST-UHFFFAOYSA-N 341.357 4.474 0 40 EIAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1 8117244 JAYPFSGOCDKQGT-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB O=c1ccc2ccc(OCc3ncc(-c4ccc(F)cc4)o3)cc2o1 8222383 USAJRDFHBDPRNG-UHFFFAOYSA-N 337.306 4.166 0 40 EIAB Cc1ccc(-c2nc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1 8730865 NLTSMWTTXVUUHR-UHFFFAOYSA-N 348.189 4.248 0 40 EIAB CCCCCC[C@@H](C)NC(=O)CC(C)(C)CC(=O)N1CCCCC1 9763247 OWHHFWNTISOICI-QGZVFWFLSA-N 338.536 4.280 0 40 EIAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccco1 10691918 UHLUYXHFHFYFAV-KRWDZBQOSA-N 330.387 4.323 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1csc(-c2ccccc2)n1 10893719 CAAMNHGAXNSHOH-UHFFFAOYSA-N 347.443 4.150 0 40 EIAB O=C(Nc1ccccc1)c1csc2nc(-c3ccc(F)cc3)cn12 11902546 SLGATUDDJFCVJR-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(OC)c2)cc1 12780959 KUQBURWMICTRDG-BNCSFYMNSA-N 337.419 4.081 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)CCSCc1ccccc1 13688167 SULZQHRUQKHCKZ-QGZVFWFLSA-N 327.493 4.447 0 40 EIAB O=C1/C(=C/C=C/c2ccccc2)C(=S)SN1Cc1ccco1 17122130 JVVQNGKODHLDHJ-VVGDYKIKSA-N 327.430 4.237 0 40 EIAB COc1cccc2cc(CN3CCC(N4CCC(C)CC4)CC3)oc12 19496847 JCRXKQZEQJNEAD-UHFFFAOYSA-N 342.483 4.138 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 21633726 UNWFYUAGGVXSOZ-UHFFFAOYSA-N 337.778 4.277 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(OC)c1 21934023 JNNNGFDHLMUKOU-AWEZNQCLSA-N 339.435 4.074 0 40 EIAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(F)cc1Cl 22468265 HMDSUZFPPIMKQG-LLVKDONJSA-N 336.794 4.235 0 40 EIAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)Nc1cccc(F)c1 23127284 QOFHIEXRXOGLGU-UHFFFAOYSA-N 336.322 4.408 0 40 EIAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25145272 OPDHFMAHHMLLGY-HUUCEWRRSA-N 338.373 4.269 0 40 EIAB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)c(=O)o1 27788831 FSFIRJLWWZQBAR-KRWDZBQOSA-N 346.386 4.332 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)n1 32026083 VDKKYPZMMQCTMN-UHFFFAOYSA-N 342.402 4.115 0 40 EIAB CCOCc1ccccc1CNC(=O)c1oc2c(F)cccc2c1C 32809417 YVUVQIAYKIYFNM-UHFFFAOYSA-N 341.382 4.347 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Nc1nc2ccccc2s1 32901315 FAMMOKSCSXEDSV-QWHCGFSZSA-N 337.448 4.075 0 40 EIAB C[C@H]1CCCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 36612836 DIIZBRZLGLREGX-JTQLQIEISA-N 327.375 4.460 0 40 EIAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@H]1c1cccs1 40024683 YDZCAYSOUWCCEQ-BVBGJJFLSA-N 325.433 4.060 0 40 EIAB CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 40714554 VAOUVGSWQMTUND-ZACQAIPSSA-N 339.439 4.050 0 40 EIAB Cc1ccccc1CCNC(=O)N1CCCCC[C@@H]1c1ccncc1 43478224 SSSCOKJIBYZMHB-HXUWFJFHSA-N 337.467 4.259 0 40 EIAB COc1ccc(NC(=O)CS[C@H](C)c2ccc(F)cc2)c(OC)c1 45090811 RQCIREHBWTWSBS-GFCCVEGCSA-N 349.427 4.276 0 40 EIAB Cc1nc(CSCCC(=O)N[C@H](C)CCCC(C)C)cs1 45897075 KJEVOTAKYPODEL-CYBMUJFWSA-N 328.547 4.406 0 40 EIAB CCc1nc(C)c(C(=O)Nc2ccc(Br)cc2)s1 50256131 BOOZTSZCSVJMDA-UHFFFAOYSA-N 325.231 4.029 0 40 EIAB C[C@@H](c1ccccc1Cl)N(Cc1cccc(C(N)=O)c1)C1CC1 54176043 MHTSNRFJYLDTEK-ZDUSSCGKSA-N 328.843 4.165 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)nc3)c2)oc1C 54235029 RWYFKJGIYDZPLJ-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1F 58172152 UCPYPZLKERNLQO-UHFFFAOYSA-N 340.276 4.055 0 40 EIAB O=C(NCc1ccc(-n2cccn2)cc1)c1occc1-c1ccccc1 58191183 AGULVOAJJPNTJZ-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(C2CC2)on1 65880376 PJIABFCCDKOVKU-UHFFFAOYSA-N 347.418 4.098 0 40 EIAB CCc1nc(CC(=O)Nc2cnccc2Oc2ccccc2)cs1 69441240 ULZCUNYOCNVBIL-UHFFFAOYSA-N 339.420 4.074 0 40 EIAB FC(F)Oc1ccc2c(c1)CCC[C@@H]2NCc1cccc2c1OCO2 69629885 RZRRQZSCVCEACS-INIZCTEOSA-N 347.361 4.184 0 40 EIAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](n2ccnc2)C1 69657246 WNSZWASLBICJFV-SFHVURJKSA-N 331.419 4.027 0 40 EIAB Fc1ccc(Oc2nccc(C(F)(F)F)n2)c(Br)c1 70250162 APWOYASXOGSQBC-UHFFFAOYSA-N 337.070 4.189 0 40 EIAB CSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 72123072 KJCQGDBVLKOAHP-UHFFFAOYSA-N 348.474 4.257 0 40 EIAB Clc1ccc(-c2cc3ncnc(NC[C@H]4CCOC4)c3s2)cc1 84419444 KICXYXVHJICWTR-LLVKDONJSA-N 345.855 4.460 0 40 EIAB O=C(NCc1ccccn1)c1csc2ccc(C(F)(F)F)cc12 94993228 PJIJJSGQAQCAGP-UHFFFAOYSA-N 336.338 4.245 0 40 EIAB CC(C)n1ccc2c(C(=O)NCCc3nc4ccccc4[nH]3)cccc21 96232684 GYMABMWUPMNQIT-UHFFFAOYSA-N 346.434 4.071 0 40 EIAB Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1nccn1CC(C)C 96478394 QEFSTKPUHYLQAH-ZDUSSCGKSA-N 334.533 4.452 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 113945509 ZFVXLHAOYFFYGZ-INIZCTEOSA-N 349.430 4.322 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)/C=C/c3ccco3)C2)cc1 208002470 XJMLAJNUPCMKGI-FMQWLBJXSA-N 325.408 4.098 0 40 EIAB CC(C)c1ccccc1OCC(=O)N[C@H](C)CCc1ccccc1 222807527 VRLFZJGYCIWGJY-QGZVFWFLSA-N 325.452 4.326 0 40 EIAB Cc1ccc(CN(C)C(=O)COc2cc(C)ccc2C(C)C)cc1 223398792 RBLUNOBATOYLRO-UHFFFAOYSA-N 325.452 4.464 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccccc2C)c1 223400969 KTQKWUKTYRHTBF-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB COc1cccc(NC(=O)NCc2cccnc2-c2ccsc2)c1 225648284 PWPGVHQHCOMIJR-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccco3)CCCC2)s1 225680546 JHPHBLDEMMFXJU-MRZGDXHCSA-N 345.464 4.036 0 40 EIAB CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(OC)c(C)c1 225809244 ZWZLSFLBZOHKDV-MRXNPFEDSA-N 347.842 4.303 0 40 EIAB Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cn1 257238029 HJIHXHVCCZWLNX-GOSISDBHSA-N 345.446 4.033 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@H]2CC1 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EIAB Fc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2471866 DOUNKNPLRLVWTH-HUUCEWRRSA-N 346.768 4.356 0 40 EIAB CC(=O)CSc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12 2585277 MWVVWMPZOIJHFB-UHFFFAOYSA-N 349.415 4.428 0 40 EIAB COc1ccccc1NC(=S)CC(=S)Nc1ccccc1OC 2626628 LNCRMKAIVWGIMP-UHFFFAOYSA-N 346.477 4.273 0 40 EIAB Cc1cccc2sc(NC(=O)c3ccc4ncsc4c3)nc12 2630676 BLBISNYJCUVFLZ-UHFFFAOYSA-N 325.418 4.467 0 40 EIAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc(-c2ccccc2)cc1 4107249 GRHDCIULQKNFTE-UHFFFAOYSA-N 331.331 4.249 0 40 EIAB c1ccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)cc1 5035196 NMVLJQMQMQPGDL-UHFFFAOYSA-N 343.434 4.325 0 40 EIAB O=C(O)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 5331896 WBOWCSGYFWATPV-IBGZPJMESA-N 331.371 4.421 0 40 EIAB O=C(NC1CCCCCCCCCCC1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5375048 MABQZFKFWMHSOX-NEPXVJNWSA-N 347.499 4.299 0 40 EIAB Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1=O 5440012 SCKGADIYMIFTEG-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB CCc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2 5444945 FMUFKMFIVQMXHB-UHFFFAOYSA-N 332.432 4.139 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1ncnc2ccccc12 5560430 HRBKKVPIEDQUTM-RVKKMQEKSA-N 342.439 4.013 0 40 EIAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1COc2ccccc2O1 5637037 CVEGEDLOSDRNCO-HXUWFJFHSA-N 332.355 4.099 0 40 EIAB Cc1ccc(N2C(=O)[C@@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc1 5738767 OMOXCNHOHLCAAM-SFTDATJTSA-N 334.463 4.185 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)c1 6287246 QQJDKXDTEKMLQF-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CC(C)(C)CC(C)(C)NCc1ccc(OCC(=O)NC(C)(C)C)cc1 6857387 QFIVOAHOKDZEKA-UHFFFAOYSA-N 348.531 4.285 0 40 EIAB O=C(C1CCCCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6941821 GQCPRTGWNYZNKF-HNNXBMFYSA-N 344.480 4.389 0 40 EIAB CSc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1 7151016 PXIKOXFWWJNNTA-UHFFFAOYSA-N 335.469 4.097 0 40 EIAB CCOC(=O)c1ccc(-c2ccc(CNCc3cccs3)o2)cc1 7519922 LOOGWKRJVQCNEP-UHFFFAOYSA-N 341.432 4.475 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccnn3Cc3ccco3)coc2c1C 7987430 STDGQLYIJVWQHZ-UHFFFAOYSA-N 349.390 4.069 0 40 EIAB O=C1NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)S1 8238930 BMJDTBQJOVAREV-DHDCSXOGSA-N 345.807 4.243 0 40 EIAB C[C@@H](NC(=S)NNc1cccs1)C12CC3CC(CC(C3)C1)C2 9482592 VJQGWNMNOJFKKI-SFCYXTAJSA-N 335.542 4.144 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1OC 9515227 HJCJBIXEOMOWNQ-UHFFFAOYSA-N 325.408 4.225 0 40 EIAB Cc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9595471 NTGPHOMEEUXWQO-AWEZNQCLSA-N 325.387 4.377 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CSC(C)(C)C 9796213 ORMDHGHWCXIUPK-UHFFFAOYSA-N 337.485 4.132 0 40 EIAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1 11256649 VXOFHKWLKSXPSH-UHFFFAOYSA-N 331.419 4.477 0 40 EIAB CCc1ccccc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 12803322 GBYOZJMDCDEAAF-INIZCTEOSA-N 325.408 4.059 0 40 EIAB CSc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2F)s1 12804339 AZZLDIQPOZZETI-UHFFFAOYSA-N 330.837 4.147 0 40 EIAB CCCCOCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 13692097 VSGPSWBNWMMAAD-MRXNPFEDSA-N 331.456 4.296 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccccc1 13931557 JYXFOXZSKZZCMB-HNNXBMFYSA-N 330.453 4.142 0 40 EIAB COc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 14129260 YSGJACODKMVUQA-HNNXBMFYSA-N 341.436 4.144 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1 14200401 JHJIYIYKVNRVRG-UHFFFAOYSA-N 326.327 4.091 0 40 EIAB Cc1ccc(CSCCNC(=O)CCCOc2ccccc2)cc1 14401140 ZYBNTVNYNJZIQF-UHFFFAOYSA-N 343.492 4.204 0 40 EIAB O=c1[nH]c(-c2ccc(O)cc2)nc2scc(-c3cccs3)c12 18096958 KVPZVNDDCQIGQQ-UHFFFAOYSA-N 326.402 4.086 0 40 EIAB CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)C1 18232280 CZUVXIHKCHXZDC-KRWDZBQOSA-N 349.261 4.122 0 40 EIAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(-c2ccccn2)n[nH]1 19657052 GNOHVWFCWAZMEG-UHFFFAOYSA-N 348.406 4.045 0 40 EIAB CCCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20141458 XUWZKXFYHSLBQO-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccccc1 23679480 FQVJGMAUCPYAGG-LBPRGKRZSA-N 340.404 4.084 0 40 EIAB CCN1CCC[C@H]1CNCc1csc(-c2ccc(Cl)cc2)n1 25540738 WFEAESYTNBDHJA-INIZCTEOSA-N 335.904 4.037 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCC2 27975830 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CC[C@@](C)(NCC(=O)N(c1ccccc1)C(C)C)c1nc(C)cs1 72305291 BNPITAOVXZXKGJ-LJQANCHMSA-N 345.512 4.108 0 40 EIAB CCN(Cc1ccccn1)C(=O)Nc1cccc(OC(F)F)c1C 84320758 ZOHAUODOVXFETQ-UHFFFAOYSA-N 335.354 4.045 0 40 EIAB CC(C)Cn1ncc(C(=O)Nc2cccc3ncccc23)c1C1CC1 92825472 ZUPUXPOZLWUOSK-UHFFFAOYSA-N 334.423 4.217 0 40 EIAB C1=NC2=NC(c3ccc(-c4ccccc4)cc3)=C[C@@H](c3ccco3)N2N1 100435510 MSMZLFRGZQEXER-IBGZPJMESA-N 340.386 4.247 0 40 EIAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2cccs2)CCC1 102583713 DLFRUCPDGMYGDI-NSHDSACASA-N 340.330 4.030 0 40 EIAB FC(F)(F)c1cc(Br)c2nc(C(F)(F)F)[nH]c2c1 135980369 WVOYQORWHOGAMS-UHFFFAOYSA-N 333.029 4.363 0 40 EIAB CC(C)Oc1cccc(CNC(=O)COc2cccc3ccccc23)c1 218910804 OOTZEQODBHISHF-UHFFFAOYSA-N 349.430 4.322 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)cc(C)c1Cl 218920689 SWTKAIJNTICKSV-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB COc1ccc(NC(=O)CCc2cccc3ccccc23)cc1OC 222659393 VIFFTXRCIKSHRX-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB CCC1(CC)C[C@@H](NC(=O)COc2ccccc2)c2ccccc2O1 222760494 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CCOC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1C 225305708 YGWDOABCKHTTGS-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB CCOCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1 225711718 BLVPEEFJLPXAMJ-UHFFFAOYSA-N 349.471 4.170 0 40 EIAB COc1ccc(C2(NC(=S)Nc3cccc(C)n3)CCCC2)cc1 225872976 KKBVNUWNBDZCQR-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB CCn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 408713253 PVTMNNICAXWCQJ-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB O=C(N=c1cc[nH]cc1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 572971025 JYARYXQTOHTWDN-INIZCTEOSA-N 349.356 4.281 0 40 EIAB CCc1ccc(-c2noc(CN(CC)[C@@H]3CCOC(C)(C)C3)n2)cc1 585084874 RBDLDYBYVFMYKB-QGZVFWFLSA-N 343.471 4.079 0 40 EIAB O=C(N[C@H]1CCCOCC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 613277601 HQWKTMVFVVRXNA-OALUTQOASA-N 343.854 4.157 0 40 EIAB O=S(=O)(Cc1ccccc1)Nc1ccc(SC(F)(F)F)cc1 1252866382 FEGPYOLZLLREFJ-UHFFFAOYSA-N 347.383 4.240 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]1C2 352930 IAOSELDKXQRXRF-FVMDXXJSSA-N 326.223 4.327 0 40 EIAB CC(C)Sc1nnc(COc2ccccc2)n1-c1ccccc1 422498 HOMSSKLQGMNXNR-UHFFFAOYSA-N 325.437 4.347 0 40 EIAB Cc1ccc(C(=O)COC(=O)c2ccc(C)c(Br)c2)cc1 482171 BDWVCBLYYOYQOW-UHFFFAOYSA-N 347.208 4.106 0 40 EIAB Cc1cc(CNC(=O)c2cc(C)nc3ccccc23)c2ccccc2n1 1426795 ITDAPPYJIQAZAX-UHFFFAOYSA-N 341.414 4.330 0 40 EIAB COc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)cc1 2205740 AJHIXYKYCQQHOB-MRXNPFEDSA-N 338.388 4.100 0 40 EIAB CCCCNc1ncc2c(n1)C[C@@H](c1ccccc1Cl)CC2=O 2211945 NGWPVZCTNODIEW-GFCCVEGCSA-N 329.831 4.255 0 40 EIAB Cc1ccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1 2694145 VJXGCPIFCYRJBA-UHFFFAOYSA-N 343.434 4.243 0 40 EIAB Cc1ccc([C@@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786798 KUBBTCLXNNKWNA-LSDHHAIUSA-N 346.459 4.407 0 40 EIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCc2ccccc21 3323504 MONRFQUCCZUTLC-NSHDSACASA-N 335.234 4.383 0 40 EIAB Cc1cc(OCC(=O)NCCCSc2ccccc2)ccc1Cl 3339687 YHIBQZOGXJVHCJ-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 4088259 ZZCACAVNKMAIEU-ZHACJKMWSA-N 334.400 4.354 0 40 EIAB CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 5163345 DVWCRDAAQVJYAI-YOEHRIQHSA-N 330.478 4.371 0 40 EIAB Cc1ccc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)cc1 5210576 JEENATZULMHSOM-UHFFFAOYSA-N 326.377 4.066 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2Cl)c1 5679155 ANGOWADPAOMNMS-UHFFFAOYSA-N 331.843 4.467 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 5727540 UFIXPFDSHQOZTG-OAHLLOKOSA-N 340.423 4.063 0 40 EIAB C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 6508065 YILMSOSNBRMZDD-SNVBAGLBSA-N 334.769 4.029 0 40 EIAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc2c(c1)OCO2 7069244 QPQDHIJVYSANFL-CSKARUKUSA-N 335.359 4.376 0 40 EIAB COc1ccc2ccc(O[C@@H](C(=O)N(C)C)c3ccccc3)cc2c1 7182593 NGBAXHSOVQRCNF-HXUWFJFHSA-N 335.403 4.057 0 40 EIAB Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Cl)c1 7779489 PIQSUYUZUSBXFO-UHFFFAOYSA-N 326.783 4.295 0 40 EIAB O=C(c1ccccc1Cl)N1CCCC[C@@H]1CCN1CCCCC1 8613206 FVZPRTQCCSJOBT-MRXNPFEDSA-N 334.891 4.211 0 40 EIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CC 9061989 XLRYFVLZPOUWHN-ZDUSSCGKSA-N 345.892 4.000 0 40 EIAB Sc1nnc(-c2ccc(Cl)cc2)n1-c1cccc2ncccc12 9423232 RQJLVZRKCPUHRZ-UHFFFAOYSA-N 338.823 4.425 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)s1 11251647 QGIMLUIPAUWRKO-UHFFFAOYSA-N 343.370 4.065 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)Nc1ccc(Cl)cc1 12355578 QHTAGZZQLMXAIY-INIZCTEOSA-N 349.887 4.360 0 40 EIAB CSc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 12508157 CCBGLXZCKRWVLU-UHFFFAOYSA-N 331.462 4.138 0 40 EIAB Cn1ccnc1[C@@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 12529769 UNCWVEXQGXIDJR-SFHVURJKSA-N 345.874 4.250 0 40 EIAB COc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12618642 ATPIEZCBEOPPGS-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB CC(C)c1noc(CSc2ncnc3sc4c(c23)CCCC4)n1 12728180 TUXVIGNBRJZFHA-UHFFFAOYSA-N 346.481 4.369 0 40 EIAB CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C 13769370 WHTOXJBDXADRNU-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 16109957 JKCAGFYTASBFNB-HOCLYGCPSA-N 347.867 4.241 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 19932114 SSZJFCYXHMQUOE-IRXDYDNUSA-N 341.451 4.265 0 40 EIAB CN(Cc1nc(N)c2c3c(sc2n1)CCCCC3)c1ccccc1 22010048 BJLAZKUQMXWQCN-UHFFFAOYSA-N 338.480 4.179 0 40 EIAB CCc1nc2ccc(NC(=O)COc3c(C)cccc3C)cc2s1 22254865 PPEWITLTZKUPKB-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1OC 22518981 HNXUGHCVKKBXKK-HXUWFJFHSA-N 349.430 4.322 0 40 EIAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1 24959009 IDFVFCJWQBFWFK-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB Cc1sc2nc(CN(C)Cc3ccccc3Cl)nc(N)c2c1C 24993523 AMOFFMPZJYJGAL-UHFFFAOYSA-N 346.887 4.176 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 25470229 NBAYLJLPBUZJKW-LBPRGKRZSA-N 336.435 4.070 0 40 EIAB CO/C=C1\C[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)CC1=O 27345219 FFQATBWNYDFCPD-OUQZMGMPSA-N 332.484 4.099 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 27581885 TYFCZWBGPKRXSI-FQEVSTJZSA-N 340.442 4.091 0 40 EIAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-n2cccn2)cc1 31032333 ZNSYAMZVDLRQAV-UHFFFAOYSA-N 347.296 4.023 0 40 EIAB COc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@@H](C)[C@@H]2C)cc1OC 31167726 XCRBJSLPMIXFOO-USEHDAJUSA-N 328.408 4.494 0 40 EIAB biogenic,in-vitro O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccccc1 35644160 QVMJXASHPWVTDF-RIYZIHGNSA-N 332.787 4.371 0 40 EIAB O=C(NCc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 36621903 AIALBPIAGCEMTE-UHFFFAOYSA-N 336.338 4.245 0 40 EIAB CCCOC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC=C2)c1 36635948 SMVBJZIXFPNHKL-UHFFFAOYSA-N 349.386 4.182 0 40 EIAB COc1ccc2[nH]cc(C(=O)c3cccc(Br)c3)c2c1 36945957 MFWDSTQJBXMZHD-UHFFFAOYSA-N 330.181 4.170 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccccc1 41007992 DGMCNGLERYEXDF-DHZHZOJOSA-N 331.868 4.403 0 40 EIAB C[C@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1 47906679 TXIYQVWRVMIJLN-VIFPVBQESA-N 342.292 4.449 0 40 EIAB COc1ccc(Br)cc1NC(=O)c1cc(C)cc(C)c1 48444626 IEVROAROCZOPIZ-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB c1coc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)c1 49169535 TUPQKNSCZPJWJE-AWEZNQCLSA-N 335.363 4.065 0 40 EIAB biogenic,in-vitro Cc1nn(C)c2c1[C@@H](c1ccc(-c3ccccc3)o1)SCC(O)=N2 49544830 GBNPRZOQLPGUQI-QGZVFWFLSA-N 339.420 4.413 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(C1CCCCCC1)CO3 57405841 HXYDQURRIJSFCL-UHFFFAOYSA-N 327.424 4.285 0 40 EIAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)cc1 58015056 AXOVFKLQGWWCGG-UHFFFAOYSA-N 336.313 4.225 0 40 EIAB COc1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1OC 65015634 LQKSJOIRFXYHER-UHFFFAOYSA-N 348.830 4.112 0 40 EIAB O=C(CCCc1ccccc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 67745947 YJIBTQMULSHKAR-IBGZPJMESA-N 349.434 4.376 0 40 EIAB CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccc(Oc2ccccc2)cc1 69139646 CJEULRBYIGJRBD-UHFFFAOYSA-N 333.391 4.356 0 40 EIAB CS[C@@H](C)C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 69420830 KVAHUCAQJVPZOW-BLLLJJGKSA-N 347.459 4.021 0 40 EIAB O=C(NCC[C@@H](O)c1ccco1)c1sc2ccccc2c1Cl 72242742 WZUPKBGGEOIYFH-LLVKDONJSA-N 335.812 4.001 0 40 EIAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(CC(C)C)C3)n2)n1 72375916 RBISKDUPWGSTSI-KRWDZBQOSA-N 339.487 4.067 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2)nc1)c1cccc(Cl)c1 75172106 DRGPKIUIAUELJJ-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB COc1cccc2cc(C(=O)Nc3cccc(N4CCCC4)c3)oc12 77661359 ZYRSQSHNXARZLQ-UHFFFAOYSA-N 336.391 4.294 0 40 EIAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccccc1C(F)(F)F 78597083 TVQAKAWAWPHMIA-WFASDCNBSA-N 348.368 4.073 0 40 EIAB CS[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 78821170 CWSSUFZAKKPWPY-ABAIWWIYSA-N 349.887 4.145 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1ccc(=O)cc1Cl 78991256 WCLBEQKJKGTWCT-UHFFFAOYSA-N 346.858 4.387 0 40 EIAB Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1 89582677 YVBSRDCVQDCHFK-UHFFFAOYSA-N 347.418 4.255 0 40 EIAB CC(=O)Nc1cc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1F 89785057 DDCCHXWVFAHEHD-KSSFIOAISA-N 341.430 4.032 0 40 EIAB Cc1nnc(-c2cccc(NCc3c[nH]nc3-c3ccccc3F)c2)o1 95429204 JHWIIGCZORHFQX-UHFFFAOYSA-N 349.369 4.186 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)c(F)c1 95464320 OUVZYSAVAWUNSS-UHFFFAOYSA-N 346.427 4.396 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccc1F 96222982 UWSVVCJRMLZDLM-SFHVURJKSA-N 338.382 4.123 0 40 EIAB Cc1nc(CSc2nnc(CCCc3ccccc3)o2)oc1C 96430326 FDCQXWUKHLMTAM-UHFFFAOYSA-N 329.425 4.142 0 40 EIAB CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccsc2)C2CC2)s1 96454236 UILGXJLHALTJAF-LLVKDONJSA-N 336.482 4.025 0 40 EIAB CC(=O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509778 FIJFZFMBGOETJU-UHFFFAOYSA-N 338.201 4.390 0 40 EIAB CCn1ncc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(C)cc2)C3)c1C 100172288 FWWSTFSPJWQIDQ-OALUTQOASA-N 337.467 4.071 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1C 113960661 IZOSWSDYGNMNGI-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC)c(OC)c2)cc1 113968944 IHOAVAUEVZQPBT-KRWDZBQOSA-N 343.423 4.062 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccco1 223427313 MFYWTZVCVRQPDS-FQEVSTJZSA-N 341.451 4.065 0 40 EIAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1 224359182 FHAKXZWNPNASFI-UHFFFAOYSA-N 327.424 4.193 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccc(C)c(C)c2)cc1C 225177950 CFYUWVHRWVFMDB-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB Cc1cccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c1C 225798931 IGXLFCXPVWFJGZ-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2cccnc12 225891160 KDBHTGIJIBAHGG-UHFFFAOYSA-N 342.439 4.167 0 40 EIAB COc1cccc(OC)c1CCC(=O)Nc1ccc(C(C)C)cc1 225994016 YAHABIMLITYJSN-UHFFFAOYSA-N 327.424 4.399 0 40 EIAB Cc1cc(OCC(=O)Nc2cc(Cl)c(C)cc2N)ccc1Cl 226359227 IPXWRNALNZEKOM-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB CCOc1ccccc1NC(=O)NCc1cncc(-c2ccco2)c1 585403779 HJTRGGBZGKWTDF-UHFFFAOYSA-N 337.379 4.062 0 40 EIAB CCc1cnccc1C(=O)N(c1cc(C)ccc1C)C1CCOCC1 637683560 BYPFFVWATIWPJB-UHFFFAOYSA-N 338.451 4.087 0 40 EIAB CSc1ncccc1C(=O)N[C@H](C)Cc1csc2ccccc12 824959824 WFTZVXMOSJXKDY-GFCCVEGCSA-N 342.489 4.379 0 40 EIAB Clc1cncc(OC2CCN(c3nc4ccccc4s3)CC2)c1 1640102519 YWRRBYUGBMGZNR-UHFFFAOYSA-N 345.855 4.393 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)Nc1ccccc1 1775967118 GFYLHYJBPOPGPN-CQSZACIVSA-N 344.461 4.332 0 40 EIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)N1 107280 DBMDIRLMQDAWHU-HNNXBMFYSA-N 343.477 4.024 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]1C2 109692 DTXQVARBXZLJMS-QLJPJBMISA-N 325.330 4.039 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 129276 SNEGXNKITIPMEY-UHFFFAOYSA-N 326.440 4.167 0 40 EIAB CC(C)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 150313 RGYLDPFTFKOIBE-UHFFFAOYSA-N 325.231 4.167 0 40 EIAB Clc1ccc(CSc2nnnn2-c2ccccc2)c(Cl)c1 179799 SOKHGLGIEMOPBH-UHFFFAOYSA-N 337.235 4.261 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)CSC3)cc1 190298 YVGIBZBAKRLOLL-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 304192 YBMIVNGOUISOMT-VXGBXAGGSA-N 332.831 4.422 0 40 EIAB CCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 418989 FUQQZAJWRQAKND-UHFFFAOYSA-N 338.432 4.485 0 40 EIAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 537069 ABRPZKOCEXIQKC-AWEZNQCLSA-N 332.812 4.004 0 40 EIAB COc1cccc(C(=O)NCC(C)(C)SCc2ccc(F)cc2)c1 1392571 MYILYJNQYVXWMD-UHFFFAOYSA-N 347.455 4.276 0 40 EIAB CN1CCCC[C@H]1CCc1ccccc1NC(=O)c1ccc(O)cc1 2021952 QMHJFCPHRGVEAF-SFHVURJKSA-N 338.451 4.061 0 40 EIAB CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccncc2)cc1 2127291 UNXYQDJUTSPTDJ-NRFANRHFSA-N 346.430 4.194 0 40 EIAB CC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1 2644472 MQILTGGCXFGBRD-UHFFFAOYSA-N 337.448 4.232 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ncccc1Cl 4155765 NTSQQZGYDNKMPO-UHFFFAOYSA-N 331.586 4.059 0 40 EIAB CSc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 4303509 GNVSJTJCDSATAT-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 4479466 GDGRKCSSQBRKAK-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB O=C(CCSc1ccc(F)cc1)Nc1nc2c(s1)CCCC2 4496813 GWMGSKPLTCFEMG-UHFFFAOYSA-N 336.457 4.282 0 40 EIAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc3ccccn23)cc1C 6114976 UXXMITXRAJCETK-CQSZACIVSA-N 325.437 4.018 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3C)sc2c1 6472667 ACPGEGAUTSQUTI-UHFFFAOYSA-N 339.420 4.124 0 40 EIAB Cc1ccccc1OCc1nnc(S)n1-c1cccc(Cl)c1 6533983 IKEWVQLGYSPTAF-UHFFFAOYSA-N 331.828 4.097 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1N1CCCC1=O 7945885 DSCMNNCKIWTNEQ-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CN1C(=O)Cc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc21 8042189 DQUFINLJGCLMHR-UHFFFAOYSA-N 339.395 4.212 0 40 EIAB OC1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 8149155 RKAFTQOLJMOHJI-UHFFFAOYSA-N 343.427 4.213 0 40 EIAB CC(=O)c1ccccc1NC(=O)/C=C/c1cccc(Br)c1 8392767 OELRCVOUKAISCW-MDZDMXLPSA-N 344.208 4.304 0 40 EIAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(OC)c1 9315297 PJHUWMVDBKPNET-KBPBESRZSA-N 331.799 4.099 0 40 EIAB Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C(C)(C)C 12629649 LAAJXTOEXHXNLW-MRXNPFEDSA-N 338.451 4.082 0 40 EIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 13017469 PUKLZJYNCDERNH-INIZCTEOSA-N 342.508 4.484 0 40 EIAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc2c1CCCC2 14849274 KFNNIYBLJUBDDI-KRWDZBQOSA-N 348.446 4.095 0 40 EIAB Cc1cc(Cl)c(CC(=O)N2c3ccccc3C[C@@H]2C)c(Cl)n1 15190154 HYDGEUMFCWHYPC-NSHDSACASA-N 335.234 4.217 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C)c2)c(OC)c1 15829410 QMPVCKHZSSNXEF-IBGZPJMESA-N 339.435 4.298 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1c(C)nn(CC(C)C)c1Cl 17963401 FOJPLXZFJGZFHJ-ZDUSSCGKSA-N 333.863 4.300 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 21356227 NZESXBCGJRQFAU-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(NC(=S)Nc1cccnc1Cl)c1cccc2ccccc12 21595760 ZUTVWVXQOWTICV-UHFFFAOYSA-N 341.823 4.015 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C 22186463 RLJNHVCLTMAWGT-DZGCQCFKSA-N 330.453 4.258 0 40 EIAB COc1cccc(NC(=O)[C@@H](C)Nc2cc(C)c(Cl)cc2OC)c1 22502156 OYNODNAYZUIYKM-GFCCVEGCSA-N 348.830 4.105 0 40 EIAB COc1ccc2nc(C(=O)Nc3cnc4ccccc4c3)ccc2c1 23353604 GQYAZJJMSULOQR-UHFFFAOYSA-N 329.359 4.044 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29482368 RLXVWLYARMPNNF-GOSISDBHSA-N 328.843 4.206 0 40 EIAB CCN(c1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1)C(C)C 30676039 OWOVBTHTULWZGF-UHFFFAOYSA-N 338.411 4.018 0 40 EIAB O=C(COCc1ccccc1Cl)Nc1nc2ccccc2s1 40140164 KADJQNJEYNKJPU-UHFFFAOYSA-N 332.812 4.105 0 40 EIAB CC(C)c1nc2ccc(NC(=O)c3ccc(Br)o3)cc2[nH]1 40288229 PWUFYZKKEQVLEM-UHFFFAOYSA-N 348.200 4.294 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(OC)cc1 44842780 CCGHNSOMFPPLLZ-QFBILLFUSA-N 341.451 4.347 0 40 EIAB Nc1nnc(SCCCCOc2cccc(C(F)(F)F)c2)s1 48355472 VGXZDXRDYPANPC-UHFFFAOYSA-N 349.403 4.090 0 40 EIAB Cc1[nH]c2ccccc2c1-c1csc(-c2cccc(C(N)=O)c2)n1 60090971 KGRVCXCJJSKLHQ-UHFFFAOYSA-N 333.416 4.366 0 40 EIAB COC(=O)c1cccc(Nc2ccnc3cc(Cl)c(OC)cc23)c1 64874610 CDQQJYIOYRTYCJ-UHFFFAOYSA-N 342.782 4.427 0 40 EIAB COc1ccc(COCc2cccc(NC(=O)N3CCCC3)c2)cc1 65604572 GSVSQWSLTAUUNW-UHFFFAOYSA-N 340.423 4.040 0 40 EIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1 69737212 IXSKXQWLPRYVKO-UHFFFAOYSA-N 348.805 4.212 0 40 EIAB Cc1ccc(C)c2c(C)c(C(=O)N[C@H](CC(C)C)CN(C)C)oc12 72026501 AYMKEAVRSGMEKX-MRXNPFEDSA-N 330.472 4.064 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C 72215201 DSBYWWZDGQDTFM-GDBMZVCRSA-N 333.476 4.388 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCC(CSCc2ccco2)CC1 85472429 ZMIYSSWFSTVRKS-UHFFFAOYSA-N 347.455 4.133 0 40 EIAB Cc1ccc(C(=O)N2CCC(N[C@@H](C)CSC(C)(C)C)CC2)cc1 95967636 ZMGDVAVTUYFAKM-INIZCTEOSA-N 348.556 4.109 0 40 EIAB c1ccc(CO[C@@H]2COC3(CCN(Cc4ccsc4)CC3)C2)cc1 96047849 RLZFCOIUXSHENL-IBGZPJMESA-N 343.492 4.088 0 40 EIAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1 96116996 VHKCHSCMOGBBIS-MRXNPFEDSA-N 325.799 4.024 0 40 EIAB O=C(Cn1cnc2ccccc21)NCc1ccccc1-c1ccsc1 96122932 VLGPTDHZIPGGKQ-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB COc1ccc(C(C)=O)c(O[C@H](C)c2nnc(-c3cccs3)o2)c1 96449275 HMIJCUQJCQWUNB-LLVKDONJSA-N 344.392 4.149 0 40 EIAB C[C@H](CN[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)c(F)c1 211240332 YTTXEOOTKXWBBQ-RFIQDPTOSA-N 337.435 4.157 0 40 EIAB O=C(OCc1ccc(Cl)cc1)c1snnc1-c1ccc(F)cc1 223842837 SDEXCJUMXPQSQC-UHFFFAOYSA-N 348.786 4.355 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2cc(C)cc(C)c2)cc1 224055952 HRXMVLFTWWEZSZ-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COCC(C)C 224449510 OXBYOPKYOGOJLG-UHFFFAOYSA-N 349.377 4.398 0 40 EIAB Cc1ccc2oc(CCC(=O)NCCc3ccc(Cl)cc3)nc2c1 224946350 BCEJOUAVDWGBOB-UHFFFAOYSA-N 342.826 4.081 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccc(C)cc2C)cc1OC 225056662 YPBXABZVWVUQKL-UHFFFAOYSA-N 341.451 4.073 0 40 EIAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1Cl 225639261 UKKFZLQKMXPGMK-SJKOYZFVSA-N 325.836 4.273 0 40 EIAB CCCOc1ncc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C 225912499 PMUHKIMXLCRAGK-UHFFFAOYSA-N 348.487 4.493 0 40 EIAB COc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1Cl 226036968 JNTSDFWKHOJGGO-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CCCc1nnsc1C(=O)N[C@@H](c1ccsc1)c1cccs1 390826784 PJWPWOPUMCBFRI-ZDUSSCGKSA-N 349.506 4.133 0 40 EIAB O=C(NCCc1ccccc1)c1cc(-c2cccc3ccccc23)[nH]n1 575443534 XIEGBQYYTDZAFS-UHFFFAOYSA-N 341.414 4.202 0 40 EIAB CC(C)(NC(=O)c1ccnc(F)c1F)c1ccc(C(F)(F)F)cc1 1133107473 VOTGPXDLRUDYOC-UHFFFAOYSA-N 344.283 4.044 0 40 EIAB CC(C)Oc1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 1628119451 BGHQEBUQHQHUNC-UHFFFAOYSA-N 348.406 4.260 0 40 EIAB COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 282913 NCDKDDHKNSDPOA-UHFFFAOYSA-N 331.371 4.452 0 40 EIAB Cc1cccc(-n2c(-c3ccccc3O)nc3ccccc3c2=O)c1 349672 ZFVCBEYYAXFXAY-UHFFFAOYSA-N 328.371 4.067 0 40 EIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)C3CCCCC3)cc12 537117 NMAPJCCTGMSVOJ-UHFFFAOYSA-N 330.380 4.404 0 40 EIAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2Cl)c1 2053736 VXANRRUMJNZKEN-UHFFFAOYSA-N 348.855 4.256 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Br)c1 4549514 BBHRJCRWIBSMRY-ZDUSSCGKSA-N 348.240 4.014 0 40 EIAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)CCCC3 4735754 QRPFLYNLZCKEPH-UHFFFAOYSA-N 347.461 4.482 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(Cl)cc1 4910001 HDBYTOGTQBLEQQ-KRWDZBQOSA-N 341.798 4.278 0 40 EIAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2C)c(C)s1 5260335 LJEYLAFIRBYOLT-UHFFFAOYSA-N 343.477 4.229 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1C 5573894 MWHUOKZMCAZPBJ-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1C 7401826 LHJHRXJOJZAALM-UHFFFAOYSA-N 327.472 4.344 0 40 EIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1F 7580552 GVIVHHDZJUBQFG-UHFFFAOYSA-N 344.411 4.121 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1 7775852 NERRRVBQHDXSTA-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 7804416 VWXBASBABMACOW-NEFAXPCMSA-N 327.468 4.095 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(N2CCCCC2=O)cc1 8114077 PCGWRWFRMYUQFY-FQEVSTJZSA-N 348.446 4.011 0 40 EIAB CCCCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12 8469241 HXTSEXFNDVYOHJ-UHFFFAOYSA-N 333.391 4.485 0 40 EIAB Cc1ccc(C)c(NC(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)c1 8990899 AWAQRQQPUHBJRO-HNNXBMFYSA-N 327.424 4.463 0 40 EIAB CCN(C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2)c1ccccc1 9047411 HKDONFNWRRCWOL-UHFFFAOYSA-N 325.408 4.410 0 40 EIAB O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc2ccccc2c1 9069645 GFJAIWNWDMLTHQ-UHFFFAOYSA-N 336.412 4.430 0 40 EIAB COc1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)c(OC)c1 9577875 CRSUWSKSMRFKKF-UHFFFAOYSA-N 337.375 4.118 0 40 EIAB CCc1ccc(-c2nc(CC(=O)Nc3nccs3)cs2)cc1 9747396 SEMHHAVXXDFGSF-UHFFFAOYSA-N 329.450 4.010 0 40 EIAB CCC(=O)N1N=C(c2ccccc2C)C[C@@H]1c1ccc2nccnc2c1 12389217 XURDEOSIRHIHCU-HXUWFJFHSA-N 344.418 4.026 0 40 EIAB COc1ccc2c(ccn2CCC(=O)Nc2ccc3cc[nH]c3c2)c1 12664587 RAIYADSDKXMLNV-UHFFFAOYSA-N 333.391 4.160 0 40 EIAB biogenic Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 12801942 UWKLOSREJFQQMY-MZEUMTGBSA-N 345.446 4.380 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3C)no2)cc1 12911361 XMVDIDQLAZHLKV-IBGZPJMESA-N 349.434 4.391 0 40 EIAB O=C1/C(=C/c2ccc(Cl)cc2)NC(=S)N1c1ccc(Cl)cc1 12957313 SJMHOIBGDQLPFB-ZROIWOOFSA-N 349.242 4.256 0 40 EIAB O=C(Oc1ccccc1)c1csc(COc2ccc(F)cc2)n1 12989829 FEUXUJWUNQKRAC-UHFFFAOYSA-N 329.352 4.080 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 14018669 JWWWEKABAPEHBF-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB O=C(CSc1ncccc1C(=O)O)c1ccc(-c2ccccc2)cc1 16493026 FKJHYPYTPMYPJL-UHFFFAOYSA-N 349.411 4.422 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OC 16505034 VYNRHPYZUATFIN-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2ccccn2)n1 19690785 ZENWLTADSRMKPB-NRFANRHFSA-N 343.430 4.429 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 20482989 HBWSKXZAISURLD-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(Cl)nc2)c1C 26969823 PHSFMQWZRXVBGJ-UHFFFAOYSA-N 331.799 4.220 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C 32601925 MBWCFEVKQSWCIT-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(Cl)cc1 35647406 MYTLTXCWQNYXAY-NTEUORMPSA-N 332.787 4.371 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2c(F)cccc2F)C1 36358023 NASWTAGLCYKLLK-SNVBAGLBSA-N 343.308 4.413 0 40 EIAB O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(C3CC3)nn12 36615755 VLKOVBIZHILHOR-UHFFFAOYSA-N 348.189 4.279 0 40 EIAB CCOc1ccccc1NC(=O)NCC1(c2ccc(F)cc2)CC1 38489667 SHQSDVKXQUNOPT-UHFFFAOYSA-N 328.387 4.078 0 40 EIAB COc1ccc([C@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C2)cc1 38566623 NNCBKPMLIRHXJS-AWEZNQCLSA-N 349.352 4.344 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)c1 38771488 FUUCUGABPOPTBA-HNNXBMFYSA-N 329.465 4.191 0 40 EIAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 39758206 GZCWEWFDDYCNBU-UHFFFAOYSA-N 328.843 4.191 0 40 EIAB CC(C)OCCCNC(=O)Nc1ccc(Br)cc1Cl 40023849 KETZBWGCJDSVNE-UHFFFAOYSA-N 349.656 4.039 0 40 EIAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@H]2CCCC[C@@H]21 40082834 ADZLSLJKLLVYKX-KSSFIOAISA-N 327.403 4.011 0 40 EIAB CCc1ccc(CNCC[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 40088630 ADGJRILEMVTHMA-KRWDZBQOSA-N 341.373 4.080 0 40 EIAB CCCCOc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 40122186 RXMYKGJRZMZZSI-OAHLLOKOSA-N 330.255 4.066 0 40 EIAB CC(C)c1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42770496 ITEHGZXYACUISK-ZDUSSCGKSA-N 326.278 4.341 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 44848672 ABPSPAFOMLNLIZ-CVEARBPZSA-N 343.492 4.313 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)Nc2ccc(OC)cc2C)c1 51355835 QCTHBLOBZOYXNX-UHFFFAOYSA-N 344.411 4.445 0 40 EIAB CN(Cc1cccc(F)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 57406503 MBCKVJPTLOTTIK-UHFFFAOYSA-N 337.394 4.053 0 40 EIAB COc1ccccc1-c1cc(C(=O)NC2(c3ccccc3)CCC2)no1 57444927 WMFSFTVXRWJAQZ-UHFFFAOYSA-N 348.402 4.159 0 40 EIAB O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1C1CCCCC1 58427395 ANCVIRWTYCTAFO-INIZCTEOSA-N 344.480 4.491 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](CSc2nc3ccccc3[nH]2)C1 60379245 QLTWCGSGXXFCIN-CYBMUJFWSA-N 347.484 4.302 0 40 EIAB O=C(OCc1nnc(C2CC2)o1)c1cc2c(s1)CCCCCC2 63499656 WMGRSKDIKUOAOR-UHFFFAOYSA-N 332.425 4.025 0 40 EIAB COc1ccc(N(C)C(=O)c2cc3c(s2)CCCCCC3)cn1 65741191 VIYVPSXPMKUETO-UHFFFAOYSA-N 330.453 4.087 0 40 EIAB CN(C(=O)c1cccs1)[C@H](c1cccc(F)c1)c1ccccn1 69570522 TWNBKXRAGSVCOW-QGZVFWFLSA-N 326.396 4.144 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CCC[C@@H]2CCCC[C@H]21 71828330 BFUPXUYQWFEELJ-DOTOQJQBSA-N 326.440 4.332 0 40 EIAB CC(C)Oc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72211955 AYDWNHLGRJJATM-GOSISDBHSA-N 340.423 4.343 0 40 EIAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc2ncccc2c1 72221827 CCNURUDAANQVIQ-UHFFFAOYSA-N 328.412 4.113 0 40 EIAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 79103226 UYBWHBHVIAGPAK-MEDUHNTESA-N 338.234 4.235 0 40 EIAB O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ncoc1-c1cccs1 89800052 ONANTBHCRNGJSM-ZDUSSCGKSA-N 346.452 4.015 0 40 EIAB COc1ccc2sc(C(=O)N(C)c3c(C)noc3C)c(C)c2c1 96448289 MNCLGHSMRJHCBI-UHFFFAOYSA-N 330.409 4.100 0 40 EIAB Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)c1ccc(OC(C)(C)C)cc1 97143470 ZBIZWGDBOBWZJX-LSDHHAIUSA-N 343.515 4.496 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 123096267 WXEJQEDMVISTBW-UHFFFAOYSA-N 326.327 4.050 0 40 EIAB O=C(c1cc2ccccn2c1)N1CCS[C@@H](c2ccccc2)CC1 206987911 MJHXHWJZATVNRB-LJQANCHMSA-N 336.460 4.260 0 40 EIAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 216369945 DOPCRAPGOPXDMF-GOSISDBHSA-N 347.480 4.069 0 40 EIAB Cc1ccc(CCNC(=O)c2cc(OC(C)C)c3ccoc3c2)o1 223244620 ZEKBJUCQPPYEBY-UHFFFAOYSA-N 327.380 4.094 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@@H]1C 223473492 UEFOAEOAHIDLAQ-HOTGVXAUSA-N 335.447 4.311 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1 224220786 FSJMFGXAMNJRGV-AWEZNQCLSA-N 343.854 4.303 0 40 EIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccccc1 224365247 UXEDXFMMXYGGBP-UHFFFAOYSA-N 327.424 4.146 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=O)NC3CCCCC3)ccc21 225183900 PKDXIJPIJVARFB-UHFFFAOYSA-N 333.457 4.098 0 40 EIAB COc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(F)(F)F 225792198 IBRWNOPINSOQGS-OAHLLOKOSA-N 333.350 4.104 0 40 EIAB CC(=O)N[C@@]1(C)C[C@H](c2cccc(F)c2F)O[C@@H]2C[C@H](C)CC[C@H]21 257213899 CJPNBZNJADJKFX-BHYHUWAVSA-N 337.410 4.126 0 40 EIAB COc1ccc(Cc2cnc([C@H]3CCCN3Cc3ccccn3)o2)cc1 257266442 MDAPFPMXPXHPQC-HXUWFJFHSA-N 349.434 4.006 0 40 EIAB O=C(c1ccnc(C2CC2)c1)N(Cc1ccc(O)cc1)Cc1ccco1 390833451 HPRYTEJWEQVPRD-UHFFFAOYSA-N 348.402 4.100 0 40 EIAB CC(C)(C)OC(=O)N1CCCc2cc(Br)c(F)cc21 584880010 VHVXBKHQCWZFMQ-UHFFFAOYSA-N 330.197 4.276 0 40 EIAB Cc1ccc(OCC2(O)CCN(C3CCC(C)(C)CC3)CC2)c(C)c1 585280776 AOQXQHATNDVEJH-UHFFFAOYSA-N 345.527 4.478 0 40 EIAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc(F)c(F)c1 618256866 MYTPZJMPZNSURV-CYBMUJFWSA-N 333.359 4.181 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3ncc(F)cc3C)c2)cs1 1889202451 FWBOCYBKGZSCCB-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)NC1CCCCC1 41478 CGDJNMBFDXBLRM-UHFFFAOYSA-N 331.268 4.182 0 40 EIAB N[C@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 57228 TWOOKPVYHBSXIU-LJQANCHMSA-N 336.460 4.039 0 40 EIAB Cc1c(C(=O)N(C)c2ccc(Cl)cc2)cnn1-c1ccccc1 385361 CVHARIKFYSCRKB-UHFFFAOYSA-N 325.799 4.111 0 40 EIAB COC(=O)c1ccccc1NC(=O)c1cc(C)nc2c(C)cc(C)cc12 920329 VPSXCEWXRNYQLZ-UHFFFAOYSA-N 348.402 4.199 0 40 EIAB COc1cc(NCCN(CCC(C)C)C(C)C)c2ncccc2c1 1656134 OZNRNWKTHQRYNG-UHFFFAOYSA-N 329.488 4.412 0 40 EIAB OCCCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1791828 VNDFPUOMIMTSRF-UHFFFAOYSA-N 348.233 4.398 0 40 EIAB Cc1ccccc1Cc1nnc2sc(-c3cccc(Cl)c3)nn12 2183309 ZQHXTUDIRAEEGW-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB CCOc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1OC(F)F 2793427 APMYXUXXNRTJJH-TXEJJXNPSA-N 327.371 4.090 0 40 EIAB O=S(=O)(Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 3042858 KVDKXSWOSZISRI-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB COc1ccc(CN2C(=O)C(F)(F)[C@@H]2c2cccc(Cl)c2)cc1 3231187 AOWKGNYZPOAYFH-HNNXBMFYSA-N 337.753 4.067 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2ncnc3ccccc23)c(C)c1 3252786 BITFOHYHWMWETA-UHFFFAOYSA-N 337.448 4.286 0 40 EIAB Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1C1CC1 3445159 BGMBFGQYIQQAGH-UHFFFAOYSA-N 325.437 4.291 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2F)cc1OC 3611827 SFBNYWGZEBKVAC-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 3983817 HVPVPQFZGNASDB-XSUYJZTMSA-N 326.484 4.056 0 40 EIAB biogenic CCCCOc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 4031931 YVVVBRIVURBVIF-UHFFFAOYSA-N 332.425 4.085 0 40 EIAB CCOc1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1 4072109 SLYHCXZJQUPIOQ-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB Cc1cc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1 4138072 XQXYSZHXTIDEGS-UHFFFAOYSA-N 332.325 4.425 0 40 EIAB CCCCN(C(=O)CC)c1nc(-c2cc(OC)ccc2OC)cs1 4188942 YYILJABBLIAKAG-UHFFFAOYSA-N 348.468 4.370 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=O)CC(C)(C)C2 4383913 CZWVZGGAOVIQMG-GFCCVEGCSA-N 337.419 4.335 0 40 EIAB O=C1CN2CC[C@@H]1C/C2=C/c1ccnc2c(Cl)cc(Cl)cc12 4963782 NBRSVMAOMQHCGU-CGGVXGFASA-N 333.218 4.177 0 40 EIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1c(F)c(F)c(F)c(F)c1F 5613038 QQKDMVFAZBBUFV-UHFFFAOYSA-N 345.311 4.081 0 40 EIAB CCOc1ccc(N2C(=O)S/C(=C/c3cccs3)C2=O)cc1 5900234 FBOGVHCVTFBNJI-GXDHUFHOSA-N 331.418 4.388 0 40 EIAB COc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl 6441330 UECLIXSERBCPNG-UHFFFAOYSA-N 332.812 4.140 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccccc1C(F)(F)F)C2 8367583 VCVZDWHRBCEESI-UHFFFAOYSA-N 348.368 4.277 0 40 EIAB Cc1cccc(-n2[nH]c3nccc(-c4ccc(Cl)cc4)c3c2=O)c1 10157175 NFRPTISHLZGTAS-UHFFFAOYSA-N 335.794 4.343 0 40 EIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc2c1CCCC2 11430032 GQBKFRLJBBOVKL-UHFFFAOYSA-N 346.430 4.021 0 40 EIAB CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12476187 PSAXUMUZJDWYMN-SFHVURJKSA-N 335.451 4.399 0 40 EIAB Cc1ccc(-n2c(C)nn(CN(C)C3CCCCC3)c2=S)cc1 12554625 QOCKTEMWGOZNIG-UHFFFAOYSA-N 330.501 4.242 0 40 EIAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccs1 13777665 ZLWXDGGETTZXLY-UHFFFAOYSA-N 340.448 4.032 0 40 EIAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccn1 19315285 VJFYEDULTCLIMT-SFHVURJKSA-N 340.423 4.089 0 40 EIAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCCC1 21298584 DZCGKONEYPHIMU-UHFFFAOYSA-N 339.222 4.203 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn(-c2ccccc2)c1 21555493 OQPMXUXDZURETL-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 22192763 LLAYSERBTSRJTB-UHFFFAOYSA-N 335.382 4.061 0 40 EIAB CCn1cnnc1-c1cccc(NC(=O)c2oc3ccccc3c2C)c1 24581436 PTBJHYSEIUTWMP-UHFFFAOYSA-N 346.390 4.272 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NCCc3ccccc3)ccc2c1 24992933 UUPVKJSSLDXBKW-MRXNPFEDSA-N 333.431 4.311 0 40 EIAB CN(C)[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 25332190 FFFCIFLFVFRLRK-QGZVFWFLSA-N 340.448 4.041 0 40 EIAB Cc1ccccc1-n1ccnc1SCC(=O)c1ccccc1F 26047045 NHJUDGVWYLCKEQ-UHFFFAOYSA-N 326.396 4.295 0 40 EIAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccco1 28574340 YEISBTQCMDWBDM-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB O=C(Nc1cccc(O)c1)c1cc(-c2cccnc2)nc2ccccc12 32096427 DIIKLAWTGSUBQQ-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccccc1)c1ccccc1 32903887 LYYDTACEWCLSHC-HXUWFJFHSA-N 338.495 4.164 0 40 EIAB CC(=O)Oc1ccc(C)c2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 36025411 RNKRHMVSDHMQGT-JJDSTIRJSA-N 326.436 4.346 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38849606 YDKAIBPKEMMSMF-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)c1cccc2cccnc12 58391139 GMKWJAZATQJBCD-UHFFFAOYSA-N 331.419 4.477 0 40 EIAB COc1ccc(NC(=O)[C@H](c2ccccc2)n2cccc2)cc1Cl 62021909 DHYLQWHYHQLGES-SFHVURJKSA-N 340.810 4.378 0 40 EIAB CCCc1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 65477519 FJBBZOLBNSXAGW-CYBMUJFWSA-N 340.427 4.104 0 40 EIAB CC(=O)Nc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C 66185050 BSEJVICDEAXAKP-UHFFFAOYSA-N 340.423 4.094 0 40 EIAB CCOC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 67356770 YCAGWUHRJFVRHJ-UHFFFAOYSA-N 330.400 4.034 0 40 EIAB Cn1cc(CN(Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)c2ccccc21 68605829 OUXWLMCCCZTPEC-PKTZIBPZSA-N 348.490 4.484 0 40 EIAB COc1ccccc1Oc1ccc(N[C@@H](C)c2nnc(C)o2)cc1F 71902590 QEPXAKZACJLSTN-NSHDSACASA-N 343.358 4.491 0 40 EIAB CN(C)[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 72111957 ZGMBBQLRRAZKBR-CQSZACIVSA-N 343.780 4.469 0 40 EIAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCC3)n2)cc1 72357884 AWNPGHRLEBRLAW-NRFANRHFSA-N 334.463 4.444 0 40 EIAB Fc1cccc(Cc2cccc([C@@H]3CCCN3C3CCOCC3)n2)c1 72358156 DOEMVGYGELNQGG-NRFANRHFSA-N 340.442 4.127 0 40 EIAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 72358607 MRRDXKDFGKASBF-LJQANCHMSA-N 344.462 4.227 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(N(C)C)cc1 74210486 VNJJTFUBFBPDFY-UHFFFAOYSA-N 327.409 4.030 0 40 EIAB COc1cc(C(=O)N(C)c2ccccc2SC)ccc1OC(C)C 75104436 SWDOFNUEGDUSGQ-UHFFFAOYSA-N 345.464 4.481 0 40 EIAB CSc1cccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)c1 85558614 WVQKTASHYKPFEP-UHFFFAOYSA-N 338.432 4.205 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 95413279 UJBRODXKVWCLAA-WMLDXEAASA-N 346.427 4.009 0 40 EIAB C[C@@H](CN[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccsc1 95968801 DWMLYWVSPXOKBK-UONOGXRCSA-N 330.453 4.159 0 40 EIAB COCc1ccccc1CNC(=O)Nc1cc(C)nc2ccccc12 97032719 NZRCYWGMUCDOSY-UHFFFAOYSA-N 335.407 4.011 0 40 EIAB COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c1 102730268 DWZAUAJBXGFMIK-QGZVFWFLSA-N 340.379 4.214 0 40 EIAB O=C(c1cc2ccccc2o1)N(Cc1cccs1)C1CCOCC1 206674070 CYHSKXFTFQCQJL-UHFFFAOYSA-N 341.432 4.316 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)Cc3ccsc3)C2)cc1 206885695 AJQCMPNKLSXUIT-KRWDZBQOSA-N 329.465 4.096 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223226406 WLVDYQOKUAKGGQ-DLBZAZTESA-N 337.463 4.437 0 40 EIAB CCc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1 224595434 LVDKRHLPSMIHOL-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224849761 IEQJZBLRKNZMBL-UHFFFAOYSA-N 333.453 4.034 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224936883 KYXYJHLNYZYORA-UHFFFAOYSA-N 338.451 4.175 0 40 EIAB Cc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1F 225607576 MVLNKNPFAIMIOQ-UHFFFAOYSA-N 349.427 4.256 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1C 225799086 SXWTTXZKWMWCHG-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB CCCO[C@]1(C(=O)Nc2ccc(OCC)nc2C)CCC[C@H](C)C1 225911034 NTYMPYFEHXZTJD-IFXJQAMLSA-N 334.460 4.103 0 40 EIAB CSc1ccccc1NC(=O)c1cc2cc(C)ccc2oc1=O 226037611 ONBWZXDFXFFUFJ-UHFFFAOYSA-N 325.389 4.076 0 40 EIAB CC(C)c1noc([C@H](C)N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 248714093 DKSRRGLLRSZUNQ-ZMSDIMECSA-N 329.444 4.012 0 40 EIAB Oc1nc([C@@H]2CCC(F)(F)C2)nc2ccc(Br)cc12 253535082 HROUVFIYQSRMPM-SSDOTTSWSA-N 329.144 4.001 0 40 EIAB O=C(c1cnc2c(-c3ccccc3)nsc2c1)c1ccccc1O 521396840 GVFJTELUFSFSKP-UHFFFAOYSA-N 332.384 4.295 0 40 EIAB O=C(CCc1cncc(F)c1)N(Cc1ccc2ccccc2c1)C1CC1 538235996 BPFRAOYFIQRTBP-UHFFFAOYSA-N 348.421 4.498 0 40 EIAB Cn1ccnc1[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 564006834 QAEFQELVNZQLPW-HNNXBMFYSA-N 341.455 4.277 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]32)C1 584577823 OQHMNEGOKQMOFM-PUWMBYMRSA-N 332.484 4.242 0 40 EIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 72358 BVXBOSFRFPTSOV-ROUUACIJSA-N 338.407 4.260 0 40 EIAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 214035 NQQQKCZJZYXFEW-UHFFFAOYSA-N 339.395 4.118 0 40 EIAB COc1cc(OC)c(C(=O)Oc2ccc3ccccc3c2)cc1OC 365312 LSHCXJOHCQFNKZ-UHFFFAOYSA-N 338.359 4.085 0 40 EIAB O=C(c1cn(CC(=O)N2CCCC2)c2ccccc12)C1CCCCC1 561022 JKEAXWJIVRRFEI-UHFFFAOYSA-N 338.451 4.027 0 40 EIAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1)CCCC3 587750 KWUFDVWDPTVYEX-UHFFFAOYSA-N 332.425 4.128 0 40 EIAB Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 2499114 WOPUGMNDPRRTGL-LBPRGKRZSA-N 331.437 4.110 0 40 EIAB Cc1cccc(-c2nsc(SCC(=O)N3CCCCCC3)n2)c1 2917485 KUOWTVBDHZWSOO-UHFFFAOYSA-N 347.509 4.008 0 40 EIAB CCc1cccc(C)c1Nc1nc2cc(S(=O)(=O)CC)ccc2o1 3272191 PAUTTXBGLNAGRB-UHFFFAOYSA-N 344.436 4.236 0 40 EIAB CC(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3272280 SJRPVQLUBVTHOM-UHFFFAOYSA-N 328.412 4.273 0 40 EIAB Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1cccs1 4954458 UBLOLTKUJICKIM-UHFFFAOYSA-N 326.377 4.154 0 40 EIAB Cc1ccccc1C(=O)OCCN(C)C12CC3CC(CC(C3)C1)C2 5748376 WCZMOEHLXYARKQ-UHFFFAOYSA-N 327.468 4.052 0 40 EIAB COC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCC2 6126351 WVLUJDNEXMWUBD-UHFFFAOYSA-N 335.469 4.322 0 40 EIAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccccc1 6391082 ZYLDHSIJXCOPFH-NSHDSACASA-N 330.844 4.166 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2nc3c(C)cccc3s2)cc1C 6820387 ANIPHFYQEDXTGX-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2cccs2)cs1 6968455 YHCXMDBTVMSDCO-NSHDSACASA-N 330.434 4.278 0 40 EIAB Cc1cc2nc(NCCc3c[nH]c4ccccc34)c3ccccc3n2n1 7737981 NFVAPHXVZGNRNW-UHFFFAOYSA-N 341.418 4.327 0 40 EIAB Cc1cc(SCC(=O)N2CCc3ccccc32)nc2ccccc12 7979241 ZAOBDYLDRATYKP-UHFFFAOYSA-N 334.444 4.225 0 40 EIAB Cc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 8394364 QYPZTOCLSMPWLX-HNNXBMFYSA-N 343.430 4.375 0 40 EIAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc(Cl)c1 8553782 VGTBUMZYVQMLDS-UHFFFAOYSA-N 343.839 4.461 0 40 EIAB O=Cc1ccccc1OCCCSc1nnc(-c2ccccc2)o1 8731645 ILKMBEUUEPEMBY-UHFFFAOYSA-N 340.404 4.110 0 40 EIAB Cc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)no1 9313743 LEJJAJAAPVAAPV-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1cc(F)ccc1F 9454612 BQHGISFENGJTEX-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB C[C@H](NC(=S)NNc1cccs1)C12CC3CC(CC(C3)C1)C2 9482590 VJQGWNMNOJFKKI-GVMDUPDNSA-N 335.542 4.144 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1 9645919 OJMAXBCNZLQOIF-SNVBAGLBSA-N 338.190 4.125 0 40 EIAB CC(C)c1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)CCC3 10156999 YGCVKHHZGLXABQ-UHFFFAOYSA-N 340.814 4.087 0 40 EIAB CCOC(=O)c1cc(CC)nc2c1c(C1CC1)nn2-c1ccccc1 12399135 RRYSHMYPUZNUJE-UHFFFAOYSA-N 335.407 4.037 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H]1CCc2ccccc21 12922763 NEMDARSPMGQNQX-DYVFJYSZSA-N 328.843 4.253 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2F)cc1 12977367 KVAVJEQJQXZEIU-ZDUSSCGKSA-N 331.412 4.289 0 40 EIAB O=C(Cc1nc(-c2ccc3ccccc3c2)cs1)NCc1ccco1 12981677 DNMOMEUADJICFV-UHFFFAOYSA-N 348.427 4.415 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2F)c(OC)c1 12995688 WPMJMCWMUAJNPR-QGZVFWFLSA-N 344.386 4.212 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 13494925 CLFSLXJCEBJQLA-SNVBAGLBSA-N 345.761 4.020 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cnc3c(Cl)cccc3c2O)c1 13692198 WRKPVMYIQKRTHR-UHFFFAOYSA-N 340.766 4.049 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 15318387 WFIVLLPLCWCTJQ-UHFFFAOYSA-N 348.855 4.170 0 40 EIAB Clc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1 16399543 MAHCHKDKEKHBON-LJQANCHMSA-N 331.843 4.188 0 40 EIAB CCN(CC)CCNCc1ccccc1OCc1ccc(Cl)cc1 22075014 NBRMPZIJAMIPFQ-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB O=C(Cc1ccccc1)Nc1ccccc1-c1nc(-c2ccco2)no1 22462072 VHEVONMZNFEWPA-UHFFFAOYSA-N 345.358 4.178 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(C)C)cc1 22510217 BFNYCADQAKSKAQ-IBGZPJMESA-N 345.414 4.087 0 40 EIAB CN(C)c1ccc(NC(=O)c2csc(Nc3ccccc3)n2)cc1 23136836 DMHRSSOULGUMMH-UHFFFAOYSA-N 338.436 4.205 0 40 EIAB Cc1ccc(C(=O)Nc2cc(C)c(O)c(C)c2Br)cc1 26787167 FWWLUHMESGPJHI-UHFFFAOYSA-N 334.213 4.332 0 40 EIAB C[C@H](NC(=O)c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 30477930 LXHMCTLXABBFPJ-VIFPVBQESA-N 328.721 4.245 0 40 EIAB Cc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1 30870123 ZDAMZIFTPWWFTP-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB CCCC(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12 33666405 XHIXNGGRYFTCAJ-UHFFFAOYSA-N 340.448 4.002 0 40 EIAB COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 35361075 WSCCZHJZVDZUSC-JRRBECNTSA-N 344.451 4.164 0 40 EIAB Cn1c(Cc2cccs2)nnc1Sc1nc2ccccc2s1 37132435 VSNRKTFXMMQXPV-UHFFFAOYSA-N 344.490 4.228 0 40 EIAB O=C(c1cccc(Br)c1)N1CCCc2ccc(F)cc21 40117122 BACGAADPALSQAY-UHFFFAOYSA-N 334.188 4.181 0 40 EIAB Cc1cc(C)cc(C(=O)c2cccc(I)c2)c1 43210137 OJUCABXRIMAAEA-UHFFFAOYSA-N 336.172 4.139 0 40 EIAB Cc1nc(C(C)C)sc1C(=O)NCc1nc2ccccc2s1 48301978 OVAIMTWAJMDQKA-UHFFFAOYSA-N 331.466 4.115 0 40 EIAB Cc1ncc(CN(C)C(=O)c2ccccc2Nc2ccccc2)s1 54573366 ZJRGXUKZARBICS-UHFFFAOYSA-N 337.448 4.467 0 40 EIAB CC[C@@H](NC(=O)Nc1ncccc1C)c1nc(-c2ccccc2)c[nH]1 58156729 ZJAMMIRCAWZYJG-OAHLLOKOSA-N 335.411 4.053 0 40 EIAB C[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 58160725 QHHFMZFAABDEIK-AWEZNQCLSA-N 328.431 4.413 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)cc1C 63816427 RBBMFQOUSFBYHQ-SFHVURJKSA-N 337.398 4.296 0 40 EIAB CCCN(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1cccc2ccccc12 69176585 SIENSRIKRFYFHN-MOPGFXCFSA-N 333.435 4.120 0 40 EIAB CC1(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccoc2)CCCC1 69417718 MEFXQWIFOIWMGC-UHFFFAOYSA-N 338.407 4.001 0 40 EIAB COc1ccc2cc(C(=O)Nc3cccc(N4CCCC4)c3)[nH]c2c1 70020550 AWFZPROKGAWVQJ-UHFFFAOYSA-N 335.407 4.029 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)NCc1ccncc1)C1CC1 71913568 VPLTUAKSMGHSLB-ZDUSSCGKSA-N 329.831 4.170 0 40 EIAB Cc1nc(C(=O)N2CCC[C@H]2c2cccc(Oc3ccccc3)n2)co1 72384507 KMCBBTITLLBBCS-SFHVURJKSA-N 349.390 4.148 0 40 EIAB O=C(CSCc1ccccc1F)NCCSC1CCCCC1 78582125 XXPZRKFKKOFMDM-UHFFFAOYSA-N 341.517 4.241 0 40 EIAB CC(=O)N1CCC(NCC2(Sc3ccc(C)cc3)CCCC2)CC1 80347630 YZITXBRRJRPTPT-UHFFFAOYSA-N 346.540 4.000 0 40 EIAB Cc1cc([C@H](C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)c(C)o1 84081599 XIHDXSRXQFKINR-GUOLPTJISA-N 343.814 4.088 0 40 EIAB O=C(NC[C@H]1CC=CCC1)c1cc2ccccc2cc1NC(=O)C1CC1 84605763 JSAUARGHPOJWGC-HNNXBMFYSA-N 348.446 4.274 0 40 EIAB O=C(N[C@@H](c1ccc(F)cc1)C1CC1)N1CCC[C@H]1c1ccc[nH]1 95397417 XQOIZYLHXYPMSM-ZWKOTPCHSA-N 327.403 4.152 0 40 EIAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccs1 95728272 FYZMZKOUXVPMNC-UHFFFAOYSA-N 325.233 4.412 0 40 EIAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](C)c1ccncc1 95948079 JZUUPCJMZHROMU-HZPDHXFCSA-N 333.435 4.226 0 40 EIAB Cc1nc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)sc1C 95968779 HYZZAHPORYEQDE-ZDUSSCGKSA-N 326.469 4.105 0 40 EIAB CCCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 96471191 AGRZHGFGIRNRTP-HNNXBMFYSA-N 346.406 4.097 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1=C(O)CCCC1=N2 102659578 UTQBSTIGRMVZTA-INIZCTEOSA-N 340.452 4.370 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(C)=O)c1 222957055 BFALIOAHXSESBQ-SFHVURJKSA-N 325.408 4.302 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 224919550 BLPDFZKPEIXDQM-UHFFFAOYSA-N 338.451 4.230 0 40 EIAB Cc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1 225616728 XMTOHKJUGNOEPT-UHFFFAOYSA-N 346.268 4.049 0 40 EIAB Cc1cccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 225769320 RMMGXKXSBAPJMN-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccc(CC2CN(C(=O)c3ccn(C)c3-c3ccccc3)C2)cc1 1557530937 CQYHZWVSEHUFTI-UHFFFAOYSA-N 344.458 4.315 0 40 EIAB COc1cc(CN(C)c2nc3c(C)c(C)ccc3s2)ccc1O 1651656574 KKGHNKXFGNUVLZ-UHFFFAOYSA-N 328.437 4.264 0 40 EIAB O=c1c2c3c(sc2ncn1Cc1cccc(Cl)c1)CCCC3 98333 SLLZZRTZGQXESY-UHFFFAOYSA-N 330.840 4.039 0 40 EIAB CCCc1cc2c(cc1NC(=O)c1ccccc1SC)OCO2 106756 BOSDIIWNSAEMAJ-UHFFFAOYSA-N 329.421 4.342 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 131948 OUHRCVMPDHGUKH-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 246994 ILKGBXHKGJGXCG-UHFFFAOYSA-N 332.403 4.415 0 40 EIAB C[C@@]1(CN2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O 1589157 YGBVBZDKRPFWNT-MRXNPFEDSA-N 328.239 4.061 0 40 EIAB O=S(=O)(c1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1705753 RRPQCLWZSFHNCP-HXUWFJFHSA-N 334.440 4.219 0 40 EIAB CC(C)[C@]1(CCNCc2ccc3c(c2)OCO3)CCOC(C)(C)C1 2103306 DMFDYEIPMKZHSB-HXUWFJFHSA-N 333.472 4.126 0 40 EIAB biogenic COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCCC1 2748299 OPCSYQRURODRAT-UHFFFAOYSA-N 329.421 4.330 0 40 EIAB Cc1ccc(OCCCCn2c(CCCO)nc3ccccc32)cc1 3648954 QAYBIPZJPHFVEB-UHFFFAOYSA-N 338.451 4.129 0 40 EIAB Cc1ccc(-c2nc(C)c(CCNC(=O)c3ccccc3)s2)cc1 4347012 YYPXOCCRSUFWFN-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cc(C)ccc1C 4936909 ZPEXINHXORAFDU-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB CN(C)c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 5569738 UVPZPPPRSQKHJX-UHFFFAOYSA-N 329.513 4.008 0 40 EIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)s1 7113379 QLWRSELRBDKPBQ-ZDUSSCGKSA-N 326.343 4.185 0 40 EIAB C[C@H](NC(=O)COc1ccccc1Cl)c1cc2ccccc2o1 7889408 UXQFLUIDSRPWNV-LBPRGKRZSA-N 329.783 4.342 0 40 EIAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(F)cccc1Cl 8128286 GHNZZQZSJSSHAJ-LBPRGKRZSA-N 335.806 4.216 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(F)c2)cc1 8176997 KRRFWOBTTJTWSM-LLVKDONJSA-N 337.391 4.483 0 40 EIAB Cc1[nH]c(C(=O)N(C)[C@@H](C)c2ccccc2)c(C)c1C(=O)OC(C)C 8404617 DTSTWDJQJKBBCG-HNNXBMFYSA-N 342.439 4.030 0 40 EIAB CC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccc(F)cc1 9135211 FJGNXUPSEPFXBL-SFHVURJKSA-N 335.382 4.272 0 40 EIAB CC(C)CCSc1nc2ccccc2c2nc(-c3cccnc3)nn12 9575799 QEWCBVVESXCCDC-UHFFFAOYSA-N 349.463 4.478 0 40 EIAB Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1 10328893 PMIZPSQZRZAKHW-JOCHJYFZSA-N 346.474 4.110 0 40 EIAB O=C(Nc1cccc2ccccc12)c1ccc(Cn2cccn2)cc1 10641891 UMGDSEUNWFNLLT-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB CCc1sc(C(=O)NCc2coc(-c3cccs3)n2)cc1C 10870765 PKSJCKWJJHPCNE-UHFFFAOYSA-N 332.450 4.265 0 40 EIAB CCCCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 11915451 MACMWXWUJWGCMV-CYBMUJFWSA-N 328.412 4.231 0 40 EIAB CSc1nc(C)c(CC(=O)Nc2nc3c(C)cccc3s2)s1 12779179 JSNRERSBTNINOX-UHFFFAOYSA-N 349.506 4.273 0 40 EIAB CNc1nnc(SCc2cc(-c3ccc(Cl)cc3)no2)s1 14241240 UITOULAYVCKEON-UHFFFAOYSA-N 338.845 4.181 0 40 EIAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCC[C@@H](C)C3)ncnc21 17121513 LUPOCCFKHGPJDX-GFCCVEGCSA-N 341.846 4.014 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(C)=O)c1 20039726 FPCZSJVRMNCRKG-QGZVFWFLSA-N 331.799 4.339 0 40 EIAB CCOC(=O)Nc1cccc(OCc2cc(-c3ccco3)on2)c1 21585347 BCVSEXVZLNZYQY-UHFFFAOYSA-N 328.324 4.082 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Sc2ncnc3ccsc23)cc1F 22005545 PNXGGNNATLREMU-JTQLQIEISA-N 347.440 4.258 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc2nc(N3CCCC3)sc2c1 22480488 JBJMERXKQXKYTF-SOFGYWHQSA-N 339.420 4.141 0 40 EIAB COc1ccc(OC)c(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 22540252 BTGONRPCXJFKCZ-MRXNPFEDSA-N 341.451 4.049 0 40 EIAB CC[C@@H](C(=O)NCc1ccccc1CN1CCCC1)c1ccccc1 22696714 FTNGLBYJDHNKIB-OAQYLSRUSA-N 336.479 4.092 0 40 EIAB Brc1cccc(CSc2nnc(-c3cccnc3)o2)c1 22838311 BQLDGRZNUDWVHV-UHFFFAOYSA-N 348.225 4.186 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1 24503450 IFOORGNGIWLMLE-ZDUSSCGKSA-N 347.374 4.444 0 40 EIAB Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)c(Cl)c1 28027330 PATAMJMOHXAHGW-UHFFFAOYSA-N 338.798 4.434 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 29482832 GWWIUPIZRBBSFT-FQEVSTJZSA-N 336.479 4.369 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)Nc3nc(C(C)C)cs3)sc2n1 30579784 KZKBKPQYHOWVKL-UHFFFAOYSA-N 346.481 4.449 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC 30854295 RKFHZCYHHLGRBR-CQSZACIVSA-N 345.464 4.440 0 40 EIAB COc1ccccc1/C=C(/C(=O)Nc1ccncc1)c1ccccc1 32726449 FPEMUMFNGCVURI-XDJHFCHBSA-N 330.387 4.270 0 40 EIAB CCc1nc(OCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2n1 33141686 MOVFQMNPPPSFQU-UHFFFAOYSA-N 349.434 4.135 0 40 EIAB Cc1ccccc1NC(=O)NCC1CCN(Cc2ccsc2)CC1 43972147 FVZKIHZLFAFIDT-UHFFFAOYSA-N 343.496 4.090 0 40 EIAB O=C(CNc1cccc(Cl)c1F)N1CCC[C@@H]1c1cccs1 52932939 DLKBKXIMLYCBOU-CYBMUJFWSA-N 338.835 4.316 0 40 EIAB O=C(Nc1nnc(SCc2ccccc2)s1)C1CCCCC1 56955434 IPBQCDSIIXIHGC-UHFFFAOYSA-N 333.482 4.349 0 40 EIAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1oc2ccccc2c1C 58202914 SVGRRWLIUITNAZ-UHFFFAOYSA-N 344.317 4.230 0 40 EIAB Cc1ccc(-c2n[nH]c3c2cnc2cc4c(cc23)OCCO4)cc1C 67341177 LAXAKVLMHSPRAJ-UHFFFAOYSA-N 331.375 4.166 0 40 EIAB C[C@H]1CN(c2ccccc2NC(=O)CC(C2CC2)C2CC2)C[C@@H](C)O1 68426964 KRGPCFNUOAAMTL-GASCZTMLSA-N 342.483 4.065 0 40 EIAB Clc1ccc2ncn3nc(Cc4ccccc4Cl)nc3c2c1 71279787 HTQIFUVDGXDZIE-UHFFFAOYSA-N 329.190 4.175 0 40 EIAB CC[C@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1ccncc1 76070401 DUWLWKVDKHAPQI-KRWDZBQOSA-N 336.395 4.318 0 40 EIAB CCCCOc1ccc(NC(=O)N2CCC[C@H](COC)C2)c(C)c1 79101412 YSYFTSDHCAOICT-INIZCTEOSA-N 334.460 4.064 0 40 EIAB CC[C@H](C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccc1 79361093 VGEAXJCSRQIEDP-HJPURHCSSA-N 349.883 4.351 0 40 EIAB CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccn(C)c2)o1 81509797 SOYUZSIEORPNBI-KRWDZBQOSA-N 329.444 4.007 0 40 EIAB O=C(c1cccc(Cl)c1)c1ccccc1CN1CCSCC1 85651652 LTBNSFUZRPPHQE-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB Fc1cccc(Oc2ccccc2)c1NCc1nnc(C2CC2)o1 86207107 CGIYLARRLTXCTF-UHFFFAOYSA-N 325.343 4.491 0 40 EIAB O=C(Nc1scnc1C1CC1)c1csc(Cc2ccccc2)n1 89840349 WZDATWAHNLDEHF-UHFFFAOYSA-N 341.461 4.320 0 40 EIAB CCO[C@@H](C)c1nc(COc2ccccc2OC(F)F)cs1 95399067 MTIFEGGMWLTFHU-JTQLQIEISA-N 329.368 4.421 0 40 EIAB COCc1cc([C@@H](C)NCc2cccc3cccnc23)ccc1OC 95421285 PXLKWUFEKYMVIU-OAHLLOKOSA-N 336.435 4.241 0 40 EIAB FC(F)Sc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 95429015 PTVXBJKIPXSVOU-UHFFFAOYSA-N 332.379 4.399 0 40 EIAB Cc1ccn2cc(C(=O)NC3CCC(c4ccccc4)CC3)nc2c1 95948648 CLSQNGHCZHSNTO-UHFFFAOYSA-N 333.435 4.099 0 40 EIAB O=C(CCc1ccsc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 97016163 XKHONGJIJBRHRW-SJORKVTESA-N 347.480 4.169 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 113968968 INUWNAGIIAJGBL-LIRRHRJNSA-N 329.415 4.423 0 40 EIAB O=Cc1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 169796884 WRLXXNOKLCWFLX-UHFFFAOYSA-N 337.013 4.179 0 40 EIAB O=C(c1ccccc1Cl)N(Cc1cccs1)C1CCOCC1 206673154 RYRCRJALJPULFJ-UHFFFAOYSA-N 335.856 4.223 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccccc2OC(C)C)cc1 219743679 GOCFPJBXGHRAFZ-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222744922 HGHLRLXFEGTSAN-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CCCCCNC(=O)c1ccc(OC)c(COc2ccccc2)c1 224091637 PXDMMPFRJYLLOH-UHFFFAOYSA-N 327.424 4.194 0 40 EIAB COc1cccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225083185 IUFMFHZTSDHBMR-AWEZNQCLSA-N 341.190 4.077 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2ccccc21 225207749 BHGCDCHLARPUQM-NRFANRHFSA-N 335.447 4.312 0 40 EIAB CCOc1cccc(CNC(=S)Nc2cccc(OC(C)C)c2)c1 225440452 KRXHQPCCNCKNII-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CC[C@@H](C(=O)NC1(c2cccs2)CCOCC1)c1ccccc1 390828549 RVAAZSIONKMSKH-MRXNPFEDSA-N 329.465 4.064 0 40 EIAB COc1cccc(C(=O)Sc2nnc(-c3ccccc3Cl)o2)c1 408585655 GVJVJBDKONWGHF-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB CC(=O)c1cc(C(=O)N[C@@H]2CCCCc3ccccc32)c(C)nc1C 548599543 VJWGUERQYJJXCC-HXUWFJFHSA-N 336.435 4.099 0 40 EIAB O=Cc1nc(Br)c(-c2ccc(Oc3ccccc3)cc2)[nH]1 1857794787 KEDLTLZPTARFIQ-UHFFFAOYSA-N 343.180 4.444 0 40 EIAB Clc1cc(Cl)c2[nH]cc(-c3nnnn3-c3ccccc3)c2c1 87505 REXQLHWFRXTALD-UHFFFAOYSA-N 330.178 4.117 0 40 EIAB Cc1nc(N2CCc3ccccc3C2)c2c3c(sc2n1)CCCC3 109643 WEGOIQSHAYUSDK-UHFFFAOYSA-N 335.476 4.441 0 40 EIAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Cl)cc1 145436 WSOYKBQZHWXNAY-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Fc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 426361 RBMNAJLDKXVCIT-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB Cc1ccc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1 1340686 LRUQKSGZPFWQBO-HOTGVXAUSA-N 334.467 4.495 0 40 EIAB Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(F)cc2F)c1 1393234 DJEPWSSUZSUAFV-UHFFFAOYSA-N 327.277 4.192 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(Cl)c1 1934383 HLNONRVCFKLOMR-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1 2694974 LFXOVFVOGLUMPU-UHFFFAOYSA-N 329.450 4.002 0 40 EIAB O=C(COc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 3139907 KVCHXJOFIMMYCT-UHFFFAOYSA-N 331.415 4.294 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)c2cc(C)oc2C)cc1 3317794 KFSOXIBFMOHBEJ-UHFFFAOYSA-N 329.396 4.035 0 40 EIAB O=C(C1CCCC1)N1CCN=C1SCc1c(F)cccc1Cl 4120138 ODOFJOXKYSNZNY-UHFFFAOYSA-N 340.851 4.101 0 40 EIAB Clc1cccc(CNc2n[nH]c(NCc3cccc(Cl)c3)n2)c1 4703235 BGRGUZCQANBCJO-UHFFFAOYSA-N 348.237 4.336 0 40 EIAB O=C1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 5080531 ZQUGMIAJVLYXEU-XYOKQWHBSA-N 332.186 4.340 0 40 EIAB C[C@]1(CN2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O 5618502 YGBVBZDKRPFWNT-INIZCTEOSA-N 328.239 4.061 0 40 EIAB CCc1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 6035371 HATKJCLXYYJVLW-UHFFFAOYSA-N 329.450 4.071 0 40 EIAB C/C=C/c1ccc(OC[C@H](O)CNC2CCCCCCC2)c(OC)c1 6626704 PVKOOOTYOQGUQP-JFKHNGDKSA-N 347.499 4.171 0 40 EIAB O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1F 6747629 JFTRVQRXDAWRSA-UHFFFAOYSA-N 327.330 4.400 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c3ncsc23)c1 7598787 VBEVOZMAQUQALN-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Cn1c(SCc2csc(-c3cccs3)n2)nnc1C1CC1 8075748 JZEBPGASMYODNB-UHFFFAOYSA-N 334.495 4.170 0 40 EIAB Cc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 8184964 SXDKLWCNDGLUQF-MRXNPFEDSA-N 329.469 4.015 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 9513050 PYCGTMZYPBRAHI-UHFFFAOYSA-N 347.340 4.256 0 40 EIAB O=S(=O)(Oc1ccc2ccccc2c1)c1cccc2cccnc12 12042470 AREWGAKAGQCGJA-UHFFFAOYSA-N 335.384 4.156 0 40 EIAB CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N(C)C)cc3)cc2c1 12088253 IZDXUXLGLPJFES-UHFFFAOYSA-N 335.451 4.330 0 40 EIAB Cc1ccc2nc(-c3ccccc3)c(CSc3nncs3)n2c1 12535033 KKXKNFJCMDLOGU-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2ccc(F)cc21 12852688 ATHUBQABQBPOTJ-ZDUSSCGKSA-N 338.354 4.463 0 40 EIAB Oc1nc(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 16777139 LYKAKXJNONCNPO-UHFFFAOYSA-N 347.802 4.329 0 40 EIAB Oc1cc(Cc2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12 18217881 YTYWPIIXMSGXBH-UHFFFAOYSA-N 335.794 4.346 0 40 EIAB Cc1ccccc1CS(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 20106562 DEOXAERMKFHNRG-IBGZPJMESA-N 331.481 4.202 0 40 EIAB Cc1ccc(CC(=O)NCCSCc2cccc(Cl)c2)cc1 20450285 AXLZBXHFQHZJMM-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB C[C@@H]1CCCCN1c1ncc2c(n1)C[C@H](/C=C/c1ccccc1)CC2=O 20673018 DFGAGBVZPFPGFK-LELNBSJKSA-N 347.462 4.314 0 40 EIAB CN1CCN(c2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)CC1 23386441 ROXXQUDVNDCLDY-UHFFFAOYSA-N 347.487 4.133 0 40 EIAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 31903452 WYJDONXUEUODGG-SFHVURJKSA-N 347.462 4.201 0 40 EIAB CCCNC(=S)N1CC=C(c2c[nH]c3c(CC)cccc23)CC1 32909111 IBLLVMZPAMOVMI-UHFFFAOYSA-N 327.497 4.104 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(Cc2ccccc2)n1 32940402 AVQHCPCJFUGTGJ-HNNXBMFYSA-N 348.471 4.254 0 40 EIAB COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 35476539 IWBDVFYFWQCZLU-CQSZACIVSA-N 348.399 4.043 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2ccccc2)C1 40268271 LZGLDJCNALUDNY-OAHLLOKOSA-N 325.318 4.274 0 40 EIAB C[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)n1cnc2ccccc21 46669912 RQVFGPCRBITVME-ZDUSSCGKSA-N 337.423 4.239 0 40 EIAB O=S(=O)(c1ccc2ccccc2c1)N(Cc1cccs1)C1CC1 48312386 GVSOUKAMHQDSJD-UHFFFAOYSA-N 343.473 4.255 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2Cl)cc1 51354293 YRGLBYFSDMQLGB-UHFFFAOYSA-N 336.750 4.300 0 40 EIAB COc1ccccc1[C@@H](C)NCC(=O)Nc1cccc2ccccc12 57383353 WYZSQUIERGHGGY-OAHLLOKOSA-N 334.419 4.138 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 57541698 GSTPRLPRMATUJM-ZIAGYGMSSA-N 331.460 4.099 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C 58414432 HACZHFWEGWXYGL-GOEBONIOSA-N 325.412 4.222 0 40 EIAB CN(C)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F 58417392 GWPGNIKUDWQJDF-UHFFFAOYSA-N 330.403 4.147 0 40 EIAB O=C(OC1CCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 60740279 PTURJZQQJRRSJT-IBGZPJMESA-N 336.387 4.240 0 40 EIAB CC(C)CCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 69739124 NIIQZRUOCPECRY-UHFFFAOYSA-N 343.496 4.347 0 40 EIAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 71761732 CLMBKGGGUIUEMW-UHFFFAOYSA-N 337.807 4.246 0 40 EIAB CCN(C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72212771 NCYUHQDISHBSII-SFHVURJKSA-N 339.439 4.011 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2csc3c2CC[C@H](C)C3)on1 77212495 NZLHYZMJQMDSRO-NHYWBVRUSA-N 330.453 4.147 0 40 EIAB O=C(c1ccc(NCc2ccon2)cc1)N1CCC[C@H]1c1ccccc1 77246059 PODWYUQBSFKUAW-FQEVSTJZSA-N 347.418 4.264 0 40 EIAB CN(C)c1c(Cl)cccc1NC(=O)C[C@@H]1OCCc2ccccc21 78730483 VPYIEQWZWYKUIS-KRWDZBQOSA-N 344.842 4.049 0 40 EIAB CC(C)(C)S(=O)(=O)Cc1cccc(NCc2ccccc2F)c1 79002867 ZTCYQTPZMIJPCV-UHFFFAOYSA-N 335.444 4.151 0 40 EIAB Cc1cccc(C[S@](=O)Cc2csc(Cc3ccccc3)n2)c1 84210730 JJNRMMJZKXPIQB-HSZRJFAPSA-N 341.501 4.491 0 40 EIAB CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2F)c1C 87190546 FEZDRKCCWOUHIM-UHFFFAOYSA-N 346.377 4.193 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3nc(C)co3)c2)c1C 89702570 IENKQONMPNHLBN-UHFFFAOYSA-N 337.379 4.050 0 40 EIAB CC[C@@H](NC(=O)c1cccc(-c2nnco2)c1)c1ccc(Cl)cc1 95467409 CVROMCSSUUPTIW-MRXNPFEDSA-N 341.798 4.271 0 40 EIAB CC(=O)NC(C)(C)c1noc(C2(Sc3ccccc3)CCCC2)n1 96456591 LUEXICOAEOWQEW-UHFFFAOYSA-N 345.468 4.002 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 100637184 DWXMVMPBFRTSFY-SBFPOUOMSA-N 340.236 4.143 0 40 EIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1 107584688 XYRNPNFLVXPCSS-MRVWCRGKSA-N 345.468 4.078 0 40 EIAB O=C1CCCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2N1 171446991 YHBOZJJHZDCVPY-UHFFFAOYSA-N 329.787 4.259 0 40 EIAB CCCCN(CCCC)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 199779839 PMTQVGNZVKOCFX-UHFFFAOYSA-N 327.472 4.076 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)C2(c3ccccc3)CCCC2)c1 215678781 PBAMYIYIKKEHRP-UHFFFAOYSA-N 337.419 4.232 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCOc2cccc(C)c2)c1 223400897 YYJWOMWZMRERBX-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 223615284 OERMNNBUAUDTNP-UHFFFAOYSA-N 349.430 4.436 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCOc2cc(C)cc(C)c2)cc1 224056001 HRXMVLFTWWEZSZ-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB Cc1ccc(CC(=O)NCCSCc2ccccc2C)c(C)c1 225393769 BULORDAOZSTFNS-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB Cc1ccccc1[C@H](NC(=S)Nc1ccncc1)c1ccccc1 225507916 KTKAMCVZBWKTIV-LJQANCHMSA-N 333.460 4.466 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225642825 PYANQVKPBLIUMU-MRXNPFEDSA-N 338.451 4.392 0 40 EIAB COc1cccc(OC)c1CCC(=O)Nc1c(C)cc(C)cc1C 225995887 QCLZDRCWQOEQJH-UHFFFAOYSA-N 327.424 4.200 0 40 EIAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1csc(-c2ccc(F)cc2)n1 568534287 BLNNBEDEFPHBRZ-WQGACYEGSA-N 348.443 4.023 0 40 EIAB O=C(NC[C@H]1COc2ccccc21)Nc1ccc(C(F)(F)F)cc1 573040466 HBSSVNFQJSSZDV-NSHDSACASA-N 336.313 4.003 0 40 EIAB CCOC(=O)CCCC(=O)c1cccc(OCc2cccc(F)c2)c1 575357280 BXOSOXOHLFMWDG-UHFFFAOYSA-N 344.382 4.321 0 40 EIAB Cc1ccc(NC(=O)NCC[C@H](CCO)c2ccsc2)cc1C 575606882 KQXPTRUBRASMSI-OAHLLOKOSA-N 332.469 4.043 0 40 EIAB CC(C)c1ccc(CN2CCC[C@@]3(CCC(=O)N3CCF)CC2)cc1 585099951 ATXUCYAFXLMOSE-OAQYLSRUSA-N 346.490 4.127 0 40 EIAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1C[C@H]1c1ccncc1 1615612742 MZNMXUPBIKDNJM-ZWKOTPCHSA-N 346.434 4.268 0 40 EIAB CN(C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1)c1ccc(F)cc1 1663413554 GUTLBXMUSUPGEM-CZIWCDLHSA-N 330.428 4.295 0 40 EIAB CC1(C)C[C@@H]1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889702863 KHIWAVBWRHVJCK-OAHLLOKOSA-N 343.858 4.035 0 40 EIAB COc1ccc(-c2cc(C)nc([C@H]3CCN(C(=O)C(C)C)C3)c2)cc1 2037834402 BDSSCFNMADMZBI-KRWDZBQOSA-N 338.451 4.038 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 53301 XNEOKQUWPKJAPM-UHFFFAOYSA-N 329.359 4.071 0 40 EIAB Cc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2)C1=O 138013 BJMDJOXVPRIEFY-UHFFFAOYSA-N 347.201 4.084 0 40 EIAB Cc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 241446 PICGSDCTGOFIBY-NRFANRHFSA-N 344.414 4.046 0 40 EIAB CCOc1ccccc1NC(=O)CCn1cnc2cc(C)c(C)cc21 412082 RPAHDXYMIQOXPT-UHFFFAOYSA-N 337.423 4.081 0 40 EIAB CCc1nc(SCC(=O)Nc2ccccc2C)c2ccccc2n1 412512 XGRHDWQOBQYYHZ-UHFFFAOYSA-N 337.448 4.231 0 40 EIAB c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 1397964 WZQZDRFDQLUGEP-UHFFFAOYSA-N 339.402 4.213 0 40 EIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccccc1Cl 1993699 ARWBWENAHQFAFG-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB CCCCn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 2721309 OUBZOUKBOLVITE-MRXNPFEDSA-N 335.451 4.256 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 3227424 SWBRDLVBBOKRIF-UHFFFAOYSA-N 337.444 4.387 0 40 EIAB COc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 3255010 MMGAHWANKFZZNA-UHFFFAOYSA-N 331.165 4.435 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)CCc3c[nH]c4ccccc34)ccc12 3354055 JCHGFDVTPNUFCA-UHFFFAOYSA-N 347.370 4.121 0 40 EIAB CCCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 3376972 IACXMBODQVJVCB-UHFFFAOYSA-N 335.403 4.298 0 40 EIAB C[C@H]1CC[C@@](C)(C(=O)CN(C)C(=S)Nc2ccccc2)C1(C)C 3846113 ZBKDFFSDJDPMJR-LIRRHRJNSA-N 332.513 4.347 0 40 EIAB biogenic C[C@H]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 4902683 FIBOEJDOGBAJLL-VIFPVBQESA-N 335.662 4.317 0 40 EIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c1 5161825 DJQKDBYWQGFHNY-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB O[C@@]1(C(F)F)[C@@H]2CCCCCC2=NN1c1nc2ccccc2s1 5275063 NRVPYWNFAOVQDB-QLJPJBMISA-N 337.395 4.006 0 40 EIAB COc1cc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 5616752 AJQYAWQPWALCJP-UHFFFAOYSA-N 339.313 4.283 0 40 EIAB Cc1ccc(-c2c(C)[n+]([O-])c(-c3cccc4ccccc34)n2O)cc1 5617867 KZXBPIYTGBVZFD-UHFFFAOYSA-N 330.387 4.463 0 40 EIAB Cc1ccc(-c2n[nH]c(SCC(=O)c3cc(F)ccc3F)n2)cc1 5867106 UUSSFFZCPFUMCM-UHFFFAOYSA-N 345.374 4.033 0 40 EIAB Fc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1Cl 5937817 VBQIVORFIREBDR-CQSZACIVSA-N 336.819 4.289 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(F)cc1 6652454 FWORWUPFGNCVAJ-CYBMUJFWSA-N 333.428 4.194 0 40 EIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Br)o1 7986502 MBTIMBCBSJCFPN-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB COc1cc(NC(=O)c2ccc3c(c2)CCCC3)c(OC)cc1Cl 8031933 OFDUYYSRTLADAC-UHFFFAOYSA-N 345.826 4.488 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](C)c1ccccc1 8303873 PXUFBLJPXXRUFR-OAHLLOKOSA-N 333.435 4.023 0 40 EIAB CN1C(=O)CCc2cc(NC(=O)c3cccc4ccccc34)ccc21 9827735 MUUWPTSQRDYXCB-UHFFFAOYSA-N 330.387 4.001 0 40 EIAB CC(=O)Nc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)cc1 12185842 QOIXKMBCLXQCNZ-LJQANCHMSA-N 327.428 4.059 0 40 EIAB COc1ccc2ccccc2c1CN1[C@H]2CC[C@@H]1c1cnc(C)nc1C2 12186489 OCDHPYUMOFHCFC-HRAATJIYSA-N 345.446 4.209 0 40 EIAB COc1ccc(NC(=O)c2oc3c(F)cccc3c2C)cc1OC 12906451 WVSUVNHXBFLYMR-UHFFFAOYSA-N 329.327 4.150 0 40 EIAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)C1CCC1 13007178 PHHFWMHLJCSKPL-UHFFFAOYSA-N 348.490 4.366 0 40 EIAB CCOc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 13553082 FXWANFOMGLCXJY-UHFFFAOYSA-N 331.441 4.237 0 40 EIAB O=C(/C=C/c1ccc(Br)o1)Nc1cccc2ncccc12 15980036 KFVLAZGXTBTBAW-VQHVLOKHSA-N 343.180 4.242 0 40 EIAB Cc1ccc2oc(C(=O)Nc3nc(C(C)(C)C)cs3)cc(=O)c2c1 18120110 CTLKZKTVDXRTPJ-UHFFFAOYSA-N 342.420 4.108 0 40 EIAB c1ccc(CN2CCN(Cc3ccccc3)C2c2ccncc2)cc1 19324951 AWURBPXGIXYATA-UHFFFAOYSA-N 329.447 4.098 0 40 EIAB CC(C)(C)c1ccc(-c2noc(COc3ccccc3C=O)n2)cc1 22120726 MFFHQPBAHZEZPD-UHFFFAOYSA-N 336.391 4.426 0 40 EIAB O=C(CCCc1cccs1)N[C@@H](c1ccccc1)c1ccccn1 23996942 RIGGKLWZMFGMIR-FQEVSTJZSA-N 336.460 4.372 0 40 EIAB Cc1ccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1 28220238 XCMUCXQHXBWWNU-UHFFFAOYSA-N 326.787 4.478 0 40 EIAB O=C(CC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 29267616 VAYHQSULVGMEDK-UHFFFAOYSA-N 325.456 4.239 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(Cl)c1 32029434 UWLOSUULHWBMGV-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB O=C(CSCc1ccc(Cl)s1)Nc1cccc2cn[nH]c12 32909704 FLECARUNNTXJCV-UHFFFAOYSA-N 337.857 4.150 0 40 EIAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 36635789 NYYJYNWAUANOEA-MRXNPFEDSA-N 342.826 4.009 0 40 EIAB CCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38857563 VPCMQRKGSDHSLL-CYBMUJFWSA-N 343.298 4.122 0 40 EIAB O=C(NCCc1cccc(Cl)c1)c1[nH]c2ccccc2c1Cl 40145076 OVWFIKISCHOQIK-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB CCOC(=O)c1ccc(Nc2ccnc3c(F)cc(F)cc23)cc1 40175558 SKLXQXQHOBBDGL-UHFFFAOYSA-N 328.318 4.433 0 40 EIAB CCCCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 41157544 LXHSGXHTQKUWJW-UHFFFAOYSA-N 347.842 4.328 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 44903754 BDKJXSSVWJOJJW-GOSISDBHSA-N 327.424 4.498 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1-n1ccnc1 45859985 VGRUNRICIYFERY-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB O=C(COCc1ccccc1Cl)Nc1cccc(-c2cnco2)c1 58429670 DKUCPDQOLMUHCM-UHFFFAOYSA-N 342.782 4.150 0 40 EIAB Cc1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1C 59472040 YTCWWKRXBYKYLP-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C(F)(F)F)CC1 64034222 NMYLUTZGNZLFET-UHFFFAOYSA-N 345.361 4.484 0 40 EIAB Cc1nccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)n1 64738288 AAVIQUZKHUQHRO-CQSZACIVSA-N 332.407 4.210 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN(C)[C@@H](C)c1cccc(O)c1 69589115 GSZLRYFGPPARPH-HNNXBMFYSA-N 340.467 4.149 0 40 EIAB CN(C(=O)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)cc1F 69773009 PAPTYCCYDDEWQB-LJQANCHMSA-N 338.357 4.221 0 40 EIAB Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1C 71835009 YTOPHZKBPRXTJH-RTBURBONSA-N 339.435 4.070 0 40 EIAB O=C(CSc1ccc2ccccc2c1)Nc1ccc2c(c1)CC(=O)N2 71905233 APJIRUHUMAACFW-UHFFFAOYSA-N 348.427 4.065 0 40 EIAB O=c1oc2ccc(Cl)cc2n1C1CCN(Cc2cccs2)CC1 72347902 FFHZDSYIQKRNQF-UHFFFAOYSA-N 348.855 4.147 0 40 EIAB FC(F)(F)Cc1cccc(NCc2nnc(-c3ccccc3)o2)c1 75110237 UHWGWKYTJYJVRA-UHFFFAOYSA-N 333.313 4.454 0 40 EIAB CCOC(=O)[C@H](N)[C@H](O)CCCCCCCCCCCC(C)C 77271210 QCSTXHIBWMQIGZ-QZTJIDSGSA-N 329.525 4.185 0 40 EIAB in-vitro C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 89922276 NHKUBOHGHBABCN-SCLBCKFNSA-N 349.434 4.013 0 40 EIAB O=C(C1=NO[C@H](c2ccccc2)C1)N(C1CC1)[C@H]1CCc2ccccc21 95377483 VVMZJCHWWNYQGQ-SFTDATJTSA-N 346.430 4.183 0 40 EIAB COc1ccc2c(c1)[C@@H](N[C@@H](c1ncccc1C)C(C)C)CCO2 95422489 QIVMZPLCSIVGGT-PKOBYXMFSA-N 326.440 4.209 0 40 EIAB COCCc1noc(C2(c3ccc(Cl)c(Cl)c3)CCC2)n1 95964077 UNSUNSUIRIPBNM-UHFFFAOYSA-N 327.211 4.035 0 40 EIAB Cn1ncc2c1CCC[C@H]2NC(=O)CCCc1ccc2ccccc2c1 95986584 YTWOOQGLQOHRSU-HXUWFJFHSA-N 347.462 4.090 0 40 EIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccccn2)CC3)cc1 96047263 KJQNPEOWYIZHFD-UHFFFAOYSA-N 349.522 4.268 0 40 EIAB O=C(NCCCc1ccccc1)c1cccc(Oc2ccccn2)c1 96122632 YSHSTCFZYJCINV-UHFFFAOYSA-N 332.403 4.237 0 40 EIAB CC(C)NC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147744 JZZRDCHOJPLLMI-UHFFFAOYSA-N 347.374 4.288 0 40 EIAB O=C(c1ccccc1)[C@@H]1Nc2cnccc2[C@H]2c3ccccc3C[C@@H]12 104215230 MABJQSJTJDPFNQ-HMXCVIKNSA-N 326.399 4.063 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 113968927 JUJIOOMYKINCIY-AWEZNQCLSA-N 347.842 4.131 0 40 EIAB C[S@@](=O)Cc1cc(NCc2cccc(F)c2F)ccc1Cl 195559122 PHOXIYGXYHBPPW-OAQYLSRUSA-N 329.799 4.109 0 40 EIAB COc1cc(OC)cc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 199710795 TVGQSQBUNPTANN-UHFFFAOYSA-N 344.411 4.480 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)COc1ccc(C)cc1 219595096 XVAGLGPGJJTOPD-XLIONFOSSA-N 341.451 4.045 0 40 EIAB CSc1cccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 222624675 BCOKVRAQKHPYOF-UHFFFAOYSA-N 339.395 4.257 0 40 EIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)s1 222904134 OBBHTNRPRDNYPX-HZPDHXFCSA-N 331.510 4.080 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 223297713 NMDWMSCJVXGFNF-CQSZACIVSA-N 329.415 4.034 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Oc1ccc(C)c(C)c1)C(=O)O 225121197 MHLHBUIMJXVOAP-KRWDZBQOSA-N 334.799 4.040 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=S)Nc3ccccc3)ccc21 225130710 BWJHUSHCKXNROC-UHFFFAOYSA-N 343.477 4.453 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)c(C)c1C 225333262 YEQQOWTXECTQPE-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n1 225917168 OBTXJAWDOITCOF-INIZCTEOSA-N 346.434 4.328 0 40 EIAB C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccc(F)cc1 226042406 FEHFABYXCBSSMF-SNVBAGLBSA-N 345.757 4.077 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 408706862 GHRLYVDZSPALBR-LLVKDONJSA-N 345.270 4.265 0 40 EIAB Cc1[nH]c2ccccc2c1/C=C(\c1ccccc1)c1n[nH]c(=N)s1 408718188 PCHZZCYUSGTBTK-LFIBNONCSA-N 332.432 4.329 0 40 EIAB O=C(NCCCc1ccccc1)NCc1ccc(-c2cccs2)o1 575607841 DIEVSVNWQGLHLD-UHFFFAOYSA-N 340.448 4.440 0 40 EIAB COC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 585125944 JGLMKMFSWSZIIQ-DJJJIMSYSA-N 347.842 4.033 0 40 EIAB Cc1cc(OC[C@@]2(O)CCCN(C3CCCC3)C2)cc(C)c1Cl 585281625 NLUNBULFLQCLDI-LJQANCHMSA-N 337.891 4.105 0 40 EIAB Oc1ccc(NCCCC(F)(F)C(F)(F)Br)cc1 1083811804 QMSUHOYNMDUEFG-UHFFFAOYSA-N 330.119 4.207 0 40 EIAB COc1cccc(-c2cc(CNc3nc4cc(C)ccc4o3)on2)c1 1652270061 KKDQAYVCKDPSNW-UHFFFAOYSA-N 335.363 4.412 0 40 EIAB Cc1ccccc1-c1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1 68287 PWVLWJGEZIMKGP-INIZCTEOSA-N 346.430 4.119 0 40 EIAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3C)C2=O)c(C)c1 101470 HQAUPVDNZKRFJR-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1c(O)ccc2ccccc12 327117 FOGRPZOPZVSJQP-BOPFTXTBSA-N 333.318 4.029 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3ccccc3-n3cccc3)CC[C@@]1(C)C(=O)C2 352743 PRLVLEBEIFWTMG-LEWJYISDSA-N 336.435 4.201 0 40 EIAB Fc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1 424463 WNJCBXYLSFZWNZ-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3c(Cl)cccc3s2)cc1 558623 QWNGTQYQCUXTRC-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB O=C(OCCCN1CCCC1)[C@@H](c1ccccc1)C1CCCCC1 1648477 YKAPNTZTWOACFB-FQEVSTJZSA-N 329.484 4.380 0 40 EIAB Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3)N3N=NNC3=N2)cc1 1773908 XCJWPTPCGFSNFQ-OAHLLOKOSA-N 327.750 4.118 0 40 EIAB CCCc1nc2oc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2196661 BTHOSYUFSUWBSD-UHFFFAOYSA-N 331.803 4.228 0 40 EIAB CCc1cccc(C)c1NC(=O)c1cc(Cl)c(OC)c(OC)c1 3548511 PUVZOXTVLCWLQV-UHFFFAOYSA-N 333.815 4.480 0 40 EIAB CCOCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 3765100 MRCSANLSFHHSFM-UHFFFAOYSA-N 330.453 4.192 0 40 EIAB COc1ccccc1C1(c2ccccc2OC)OC(=O)c2ccccc21 5699202 WLTHFYDIMVBIAO-UHFFFAOYSA-N 346.382 4.166 0 40 EIAB CCCOC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6043511 DHMRQOBYKAEKJZ-UHFFFAOYSA-N 341.451 4.408 0 40 EIAB COc1ccccc1/C=C/C(=O)NCC12CC3CC(CC(C3)C1)C2 6519382 KDMJJXOESLAOJA-VOTSOKGWSA-N 325.452 4.041 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1N1CCCCC1 6579404 IYSZZNJBRZJPLE-UHFFFAOYSA-N 333.435 4.339 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1 7387681 SXQVUHYMQGEXHP-UHFFFAOYSA-N 327.808 4.403 0 40 EIAB CCOc1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 7443280 CLFNHTZHURKNBO-UHFFFAOYSA-N 332.363 4.007 0 40 EIAB COC(=O)CCn1c(C)cc(-c2csc(NC3CCCC3)n2)c1C 7843306 JZCVNKZJTFGQNA-UHFFFAOYSA-N 347.484 4.146 0 40 EIAB CCOCCCNCc1ccc(OCc2cccs2)c(OCC)c1 8253187 QAPSSNIKKIQVSO-UHFFFAOYSA-N 349.496 4.242 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 8560750 CMFXLONJUOTTHR-UHFFFAOYSA-N 341.407 4.291 0 40 EIAB C[C@H](c1cccs1)N(C)CC(=O)Nc1ccccc1C(F)(F)F 9494276 CLKFOQWWQGCVFF-LLVKDONJSA-N 342.386 4.398 0 40 EIAB Cc1ccc(-c2nnc(SCc3nc(C(C)C)no3)o2)cc1C 12863394 PCQBIJCBPBGOHB-UHFFFAOYSA-N 330.413 4.152 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2F)cc1 12977366 KVAVJEQJQXZEIU-CYBMUJFWSA-N 331.412 4.289 0 40 EIAB Cc1csc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 13017512 DHSAJVPXTGRWIE-UHFFFAOYSA-N 340.379 4.074 0 40 EIAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 14091389 JOMHNPVUSDDXAF-UHFFFAOYSA-N 327.428 4.320 0 40 EIAB Cn1c(Cl)cnc1CN1CCc2sccc2[C@H]1c1ccccc1 15033971 FMRZVCIRPGEZRN-GOSISDBHSA-N 343.883 4.283 0 40 EIAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 18264502 RKBAQWSJYCZYND-LBPRGKRZSA-N 341.794 4.178 0 40 EIAB O=C(CCc1ccccc1F)Nc1ccc(Br)cc1F 19163885 KSBWJOYHPBCWIO-UHFFFAOYSA-N 340.167 4.299 0 40 EIAB COc1cccc(CN2Cc3cc4c(C)cc(C)cc4nc3OC2=O)c1 19569388 KTKWJYKNOIOQOD-UHFFFAOYSA-N 348.402 4.375 0 40 EIAB Nc1c(Br)cc(Br)cc1-c1ccccc1 20134656 VBHIFDXFCGYZGI-UHFFFAOYSA-N 327.019 4.461 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1 20455866 LIGVXNBQSJLKJU-SFHVURJKSA-N 343.492 4.202 0 40 EIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1F 24964526 YBXHDWZIQYAUOB-JTQLQIEISA-N 335.379 4.269 0 40 EIAB Cc1nc(SCc2nc(C(C)C)no2)c2c3c(sc2n1)CCC3 24989749 IJQCXQBRTHRNJM-UHFFFAOYSA-N 346.481 4.287 0 40 EIAB O=C(c1ccccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 25838148 RRXZZGXZYMHXEB-UHFFFAOYSA-N 339.826 4.236 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)nc2)o1 31633193 FAQQBCVEFMSXMN-YOFDASAYSA-N 337.423 4.050 0 40 EIAB Cc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 31663200 QDMOJQGQUPLCKF-UHFFFAOYSA-N 339.370 4.146 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccncc3)ccc2c1 32716695 KUYVWYJVUJPJDN-CABCVRRESA-N 334.419 4.224 0 40 EIAB CC(C)c1ccc2nc3sc(C(=O)N4CCCC4)c(N)c3cc2c1 35311700 LFHHBGXTCVBDAX-UHFFFAOYSA-N 339.464 4.391 0 40 EIAB COc1ccccc1-c1cc(C(=O)N(C)CC2CCCCC2)no1 40087409 WHOCZHNBKUMMLA-UHFFFAOYSA-N 328.412 4.003 0 40 EIAB Cc1c(C(=O)N(C)Cc2ccc(Cl)s2)oc2c1C(=O)CCC2 40130735 MBYZFVBFXJTWLQ-UHFFFAOYSA-N 337.828 4.094 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 43653800 ULCNCXOGLJQDID-LLVKDONJSA-N 331.803 4.181 0 40 EIAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccncc1 48951279 QETNISVVQPOIQI-UHFFFAOYSA-N 327.236 4.260 0 40 EIAB Cc1cc(C(=O)N2CCC(Oc3ccccc3)CC2)c2ccccc2n1 55763352 PKDGJIJFKPENOG-UHFFFAOYSA-N 346.430 4.227 0 40 EIAB CCN(CC)C(=O)c1cc(C(C)(C)C)cc(Br)c1OC 57339324 CSVLRLOZCCLDAI-UHFFFAOYSA-N 342.277 4.237 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1Cl 58414155 KWFPDEKLCKYJIC-CYBMUJFWSA-N 338.860 4.167 0 40 EIAB COc1ccccc1-c1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)[nH]n1 64055852 QQRSQPIMRFKMIB-KBXCAEBGSA-N 339.439 4.262 0 40 EIAB O=C(Cc1coc(-c2cccs2)n1)NC1CC(c2ccccc2)C1 65620624 GUNMGGNSKHKKIB-UHFFFAOYSA-N 338.432 4.008 0 40 EIAB CCC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 67663966 QFQFELCFZVKZGL-GFCCVEGCSA-N 329.400 4.128 0 40 EIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 69463275 MKXGCYXVFZXYOM-ZQDZILKHSA-N 341.373 4.036 0 40 EIAB [N-]=[N+]=Nc1nc(Cl)c(C=O)n1-c1ccc(Br)cc1 69982198 VOZKBXUKEJEDFS-UHFFFAOYSA-N 326.541 4.043 0 40 EIAB Cc1nc(CCC(=O)N(C)Cc2cccs2)oc1-c1ccccc1 71882606 SVZQQBPSPCXLDE-UHFFFAOYSA-N 340.448 4.303 0 40 EIAB Cc1nnsc1C(=O)Nc1cccc2c1ccn2Cc1ccccc1 72403193 VENPWBGDNJNZMH-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1 78404107 ZGNAPQOPULATBM-AWEZNQCLSA-N 344.480 4.187 0 40 EIAB CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(C)c1 87160916 UEMOMTJNOJLLMO-SFHVURJKSA-N 326.440 4.014 0 40 EIAB Cc1ncsc1C(=O)Nc1ccc(Cl)cc1Br 95418894 QXKKKQIIRMKBQL-UHFFFAOYSA-N 331.622 4.120 0 40 EIAB CN(C(=O)C1CC=CC1)c1ccc(NC(=O)C2CC=CC2)cc1Cl 95429087 IZAWEVNQQLTTON-UHFFFAOYSA-N 344.842 4.174 0 40 EIAB CCc1cnccc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 95451499 LYJHXQUILKRCTJ-QGZVFWFLSA-N 346.377 4.053 0 40 EIAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccncc1 96117344 COJDJTOIOGKYRU-OAHLLOKOSA-N 325.799 4.024 0 40 EIAB C[C@H](Sc1nnc(COc2ccccc2Cl)o1)C(F)(F)F 96480844 SUIMTCGKWNDCLO-ZETCQYMHSA-N 338.738 4.345 0 40 EIAB CO[C@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)c1ccccc1 101847178 XGIVTAXGFBNFHM-FQEVSTJZSA-N 332.403 4.383 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(OC)c1 216342517 NFRZMEWXNKDIBI-CQSZACIVSA-N 343.423 4.233 0 40 EIAB Cc1ccc(Nc2ccc(NC(=S)NC3CCCC3)cn2)cc1 224036309 XJPDDFLETIHMCF-UHFFFAOYSA-N 326.469 4.363 0 40 EIAB COc1ccc(C(=O)NC2CCCC2)cc1COc1cccc(C)c1 224106955 HLWJCODQWFDBKA-UHFFFAOYSA-N 339.435 4.255 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225656197 NADKMJVXDVOMMJ-UHFFFAOYSA-N 341.407 4.166 0 40 EIAB CC[C@@H](NC(=S)Nc1ccccc1F)c1ccc(OC)c(OC)c1 225718594 QOUHMQKRTURRQY-CQSZACIVSA-N 348.443 4.281 0 40 EIAB CCSc1ccccc1C(=O)NCc1ccc(-c2cccnc2)nc1 225764332 NTJFTAVUERGQAK-UHFFFAOYSA-N 349.459 4.186 0 40 EIAB O=C(NC1CC1)C1(Cc2ccccc2-c2cccs2)CCOCC1 257224239 FAXQATHHZQNLJL-UHFFFAOYSA-N 341.476 4.033 0 40 EIAB CC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)c1ccccc1 257310506 UFHXBNFWVYFPON-VVBRCAISSA-N 327.468 4.036 0 40 EIAB Cc1c(C(=O)NCc2ccc3c(n2)CCCC3)oc2ccc(F)cc12 329966231 UUULRDHNPYLMBV-UHFFFAOYSA-N 338.382 4.084 0 40 EIAB O=C(Cc1cccc(C(F)F)c1)Nc1ccc(-c2ncc[nH]2)cc1 390834017 QIZAMQYAHYECIH-UHFFFAOYSA-N 327.334 4.196 0 40 EIAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(Cl)c1OC 408617687 DGVJVSSSAXJNPK-UHFFFAOYSA-N 337.778 4.447 0 40 EIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)C)cc1 408708498 JAXFCDXBXVMSBW-UHFFFAOYSA-N 338.451 4.188 0 40 EIAB CCCN(C(=O)c1ccnc(Br)c1)c1ccc(CC)cc1 1521891826 WWFBTZNFTNUQSJ-UHFFFAOYSA-N 347.256 4.463 0 40 EIAB FC(F)(Br)c1nc2c(Br)cccc2o1 1848350516 DHMGHJRTBQDFLT-UHFFFAOYSA-N 326.922 4.035 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Cl 163274 RKFUJIXWIIAMSM-UHFFFAOYSA-N 336.647 4.284 0 40 EIAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1 206281 WQDSXFWYBRIZAT-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CCCn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 527061 YYBWGMKTBPLHPP-UHFFFAOYSA-N 330.391 4.247 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 556308 VEQMZVFDLMNPIE-UHFFFAOYSA-N 338.451 4.324 0 40 EIAB COc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 577223 FEVWMVSHPSPQEU-UHFFFAOYSA-N 349.415 4.324 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Br)o1 1279271 ZLISIWYLJOYUJK-UHFFFAOYSA-N 341.161 4.043 0 40 EIAB O=C(Nc1ncccn1)c1cc(-c2ccc(F)cc2)nc2ccccc12 3204329 MVUFADCAZCEWIQ-UHFFFAOYSA-N 344.349 4.083 0 40 EIAB Cc1nc(SCCC(=O)O)c2cc(-c3ccccc3)sc2n1 3225639 NATVLPXCJVINFV-UHFFFAOYSA-N 330.434 4.234 0 40 EIAB COc1ccccc1NC(=O)c1ccccc1NC(=O)C1CCCC1 3447948 WWAUJSBCCISYQT-UHFFFAOYSA-N 338.407 4.076 0 40 EIAB CCc1ccc(-c2nnn(Cc3csc(-c4ccccc4)n3)n2)cc1 7040926 SINXOICSLDIZQF-UHFFFAOYSA-N 347.447 4.074 0 40 EIAB CCOc1ccccc1NC(=O)c1c2c(nc3ccccc13)CCC2 7310948 WIXSIFITMVLXEW-UHFFFAOYSA-N 332.403 4.375 0 40 EIAB Clc1ccc(-c2noc(CN3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 7590620 BSYRCJUYJNQRAO-UKRRQHHQSA-N 331.847 4.402 0 40 EIAB COc1ccc([C@@H](NC(=O)CCc2ccco2)c2ccccc2)cc1 8075701 PUKMQOMRCIQIHL-NRFANRHFSA-N 335.403 4.127 0 40 EIAB Cc1cccc(OCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8291159 NZVXBPSNUKARPZ-AWEZNQCLSA-N 340.448 4.203 0 40 EIAB Cc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 8471228 UTFFWTMWQPFYJT-JBAPTLGWSA-N 341.410 4.444 0 40 EIAB O=C(/N=c1/[nH]c2ccccc2s1)C(c1ccccc1)c1ccccc1 8742439 PJRVHIKCKKZKKS-UHFFFAOYSA-N 344.439 4.489 0 40 EIAB Cc1nc2cc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)ccc2o1 9156540 UWHXQVHYTFYOFD-UHFFFAOYSA-N 349.394 4.023 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(OC)c1 9384892 QPNPRFVGAFLLTK-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nc2ccccc2[nH]1 9858334 XBBRMXCHJWGMBE-UHFFFAOYSA-N 336.782 4.325 0 40 EIAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccno1 10253883 CWOYNLKHYONDGM-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB COc1ccc2cc(CNC(=O)COc3ccc(C)cc3C)ccc2c1 11123070 FISUVAWXAITGDA-UHFFFAOYSA-N 349.430 4.160 0 40 EIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C 12445147 IKVKHOLFZVBXCO-UHFFFAOYSA-N 349.478 4.297 0 40 EIAB c1cncc(-c2nc(Sc3nccn3C3CC3)c3ccccc3n2)c1 12538862 ZKZNAUWTADVEPM-UHFFFAOYSA-N 345.431 4.374 0 40 EIAB CCc1cccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 12768684 WOCQGGGBKPMYFV-KRWDZBQOSA-N 325.408 4.059 0 40 EIAB C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 13002312 GAMHDKZCSZFEKC-AWEZNQCLSA-N 338.432 4.213 0 40 EIAB COc1ccc2cc(CNc3cccc4c3CCCC4)c(=O)[nH]c2c1 13086670 LCLMIGPCORSQCI-UHFFFAOYSA-N 334.419 4.028 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 14006497 RKBFHGQMYMGCRG-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB Cc1cc(OC(F)(F)F)cc(Br)c1Br 16125792 OVUHFUCXDZQRDL-UHFFFAOYSA-N 333.929 4.419 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(F)ccc1Br 19358051 BVAZANSTIXFECC-JTQLQIEISA-N 334.188 4.180 0 40 EIAB CCc1ncc(CN2CCCC[C@@H]2CCc2ccc(OC)cc2)cn1 19523413 JEFFJOLBPXDYTG-LJQANCHMSA-N 339.483 4.035 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 20035645 GCMGWYOICAIORL-WOJBJXKFSA-N 341.451 4.429 0 40 EIAB Cc1ccc(C(=O)[C@@H](O)[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 20390221 QIAUEJSGCORVTR-IRLDBZIGSA-N 337.463 4.074 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 20493114 JZSIKLOTVNKZHS-HNNXBMFYSA-N 326.415 4.310 0 40 EIAB CCc1nc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)n2n1 20635819 IMHRFVFCHKWOCW-UHFFFAOYSA-N 330.391 4.029 0 40 EIAB CCc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2nc1CC 22354672 JGKRGHQHRBCGBZ-UHFFFAOYSA-N 345.446 4.348 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccccc1C(F)(F)F 24570712 MWZKLODEPZHRSV-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB COc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 27748875 UEPYKHPIMNCMLL-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(OC(F)F)c1 32930434 DARJLVXBGPCKCG-LLVKDONJSA-N 339.769 4.361 0 40 EIAB CCCN1CCCc2cc(CCNC(=O)CCC3CCCC3)ccc21 35588060 COZFQQJJNHAUDO-UHFFFAOYSA-N 342.527 4.478 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2c(F)cccc2F)C1 36358024 NASWTAGLCYKLLK-JTQLQIEISA-N 343.308 4.413 0 40 EIAB COC(=O)c1cn(C(=O)c2cccc(C(C)(C)C)c2)c2ccccc12 38830367 VGYAHDWSDBFZOW-UHFFFAOYSA-N 335.403 4.414 0 40 EIAB O=C(CCSc1nccn1-c1ccccc1)Nc1cccc(F)c1 40051775 HTKDUXWKIVYDOZ-UHFFFAOYSA-N 341.411 4.132 0 40 EIAB CC(C)c1noc([C@@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 40081911 XOMCAFQNIFMDKF-KGLIPLIRSA-N 340.427 4.275 0 40 EIAB Fc1cccc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)c1 40153837 MWTYPTFQUMBOGF-GOSISDBHSA-N 337.398 4.137 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2ccsc2)SC1 44890401 WLSGPVBJMDPCFO-OAHLLOKOSA-N 327.434 4.358 0 40 EIAB CCC(CC)c1nnc(NC(=O)N2CCC[C@@H]2c2ccncc2)s1 44935716 VBCDUEKDGKOYGZ-CQSZACIVSA-N 345.472 4.206 0 40 EIAB COCc1c(C(=O)Nc2ccnn2C2CCCC2)oc2ccccc12 48333228 HBPSASWRQQZXCV-UHFFFAOYSA-N 339.395 4.143 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 49543904 CBWJAHJALFCEDU-GFCCVEGCSA-N 327.771 4.457 0 40 EIAB COc1cccc(SCC(=O)N[C@H](C)c2ccc(SC)cc2)c1 58002964 UQINQAUFYULBTN-CYBMUJFWSA-N 347.505 4.387 0 40 EIAB CCN(C(=O)CCc1nc(-c2cccs2)no1)c1cccc(C)c1 58156937 PQGLHKHGTPRGQK-UHFFFAOYSA-N 341.436 4.092 0 40 EIAB COC(=O)c1cc(Cl)ccc1NC(=O)CCCc1ccccc1 58268396 PZYLJNBLFVYAAZ-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB COc1cccnc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 58434291 PUJIEIVSVSJCHX-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB OCc1ccccc1CNc1nc(-c2cccs2)nc2ccccc12 60564726 JCPSXXZAVVVLAW-UHFFFAOYSA-N 347.443 4.463 0 40 EIAB CC(=O)N(c1nc(CN(Cc2ccccc2)C(C)C)cs1)C1CC1 69975309 XTURLFLTRHKDJN-UHFFFAOYSA-N 343.496 4.069 0 40 EIAB C[C@H]1CCCN1C(=O)CCN1Cc2ccccc2-c2ccccc2C1 72304882 BDKRPOCMYMEVGJ-KRWDZBQOSA-N 334.463 4.070 0 40 EIAB O=C(O)c1ccc2oc(-c3ccc(Br)cc3F)nc2c1 73638268 YLINLTZVBATUEG-UHFFFAOYSA-N 336.116 4.095 0 40 EIAB Cc1ccc(C)c(OCCCCC(=O)Nc2ccnc3ccncc23)c1 75105559 LAHPKKAFFUHYEQ-UHFFFAOYSA-N 349.434 4.434 0 40 EIAB O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1)c1cccs1 75106620 HCZIYTPLSUPLHR-CQSZACIVSA-N 333.840 4.279 0 40 EIAB Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(Br)cc2)cc1 76082227 GTKSAFUNXMBERJ-SUMWQHHRSA-N 334.257 4.142 0 40 EIAB CC(=O)c1cc(F)ccc1OCc1ncc(-c2ccc(F)cc2)o1 78534210 QSEPKVVPPNFHBU-UHFFFAOYSA-N 329.302 4.401 0 40 EIAB COc1cccc(-c2nc(CN3CCC[C@H]3C(C)C)cs2)c1OC 84456586 MUXWMYIHJYSHML-INIZCTEOSA-N 346.496 4.448 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)c(Cl)c1 85651274 GXBCOVJBDSQUHA-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 89263144 NIEDZGBZHPDEJU-UHFFFAOYSA-N 340.330 4.024 0 40 EIAB Cc1cc(C)c(-c2nc(N3CCCCC3)sc2CC(=O)O)cc1C 95097121 JAYUUEJFXCTNCV-UHFFFAOYSA-N 344.480 4.353 0 40 EIAB O=C(CCCc1ccc(O)cc1)N1CC[C@H]1c1ccc(Cl)cc1 95414341 JBOUMNQKXXVMJG-SFHVURJKSA-N 329.827 4.342 0 40 EIAB O=C(c1cccc(Oc2cnccn2)c1)N1CCCc2ccc(F)cc21 134476738 ROJUOQGYBZAIFB-UHFFFAOYSA-N 349.365 4.001 0 40 EIAB Cc1cccc(CCCNC(=O)COc2cccc3ccccc23)c1 218912368 LEAKGCXZPYBOKO-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB O=C(NCc1cccs1)N1CCS[C@@H](c2cccs2)CC1 219533193 XEOAJQZYJDFSRV-CQSZACIVSA-N 338.523 4.199 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccc2ccccc2c1 223639620 YMINLSKUDZHCAY-NRFANRHFSA-N 349.430 4.192 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)CCSCc2ccccc2)c1 224085772 VQIMMJNRPQLCSD-UHFFFAOYSA-N 343.492 4.122 0 40 EIAB COc1ccc(C(=O)NCC(C)C)cc1COc1cccc(Cl)c1 224141818 CICPWCZULAEGJM-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Sc1ccc(C)cc1)C(=O)O 225121567 YZOFCBPXLRNSCW-INIZCTEOSA-N 336.840 4.445 0 40 EIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225649577 ORQNBXCFZGDBOG-HXUWFJFHSA-N 327.424 4.409 0 40 EIAB O=C(CCc1ccccc1)NC[C@H](c1ccco1)c1cccs1 585146803 RLYNNRUJBWYSQI-MRXNPFEDSA-N 325.433 4.222 0 40 EIAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c(Cl)c1 594442486 APTHXWWQTOIFEQ-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(F)c(F)c1 618256867 MYTPZJMPZNSURV-ZDUSSCGKSA-N 333.359 4.181 0 40 EIAB COc1ccc(C)cc1NC(=O)COc1ccccc1C(C)(C)C 145204 GYBSQSPXQVYHHF-UHFFFAOYSA-N 327.424 4.319 0 40 EIAB COc1ccccc1COc1cc(C)cc2oc(=O)c3c(c12)CCC3 484944 OAXYXXARMJVCRW-UHFFFAOYSA-N 336.387 4.178 0 40 EIAB biogenic COc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 520655 ZGZKXTZIQYIDDR-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB COc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 521190 YAQAMRXMQVIDBU-UHFFFAOYSA-N 329.359 4.493 0 40 EIAB O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCCC1 536015 ZXXAJGZLPMDZCP-UHFFFAOYSA-N 347.418 4.420 0 40 EIAB Cc1c(CO)c2ccccc2n1Cc1ccc(Br)cc1 561097 TYOOQLRVVFFUAT-UHFFFAOYSA-N 330.225 4.253 0 40 EIAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1 568390 DQENWUCWNWAXTK-SDNWHVSQSA-N 345.446 4.280 0 40 EIAB O=C(CSCc1ccccc1)Nc1nnc(C2CCCCC2)s1 795309 OEEXMEPQUKLSSP-UHFFFAOYSA-N 347.509 4.458 0 40 EIAB COc1ccc(-c2nnc(-c3cc4cc(OC)ccc4nc3C)o2)cc1 1418696 GXGOUQKFXRMVCR-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 3094851 QWOGPQBCEVBYOO-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB c1cncc(-c2nc(N3CCCC3)c3c4c(sc3n2)CCCC4)c1 3329845 DYKHLHDZAYUVII-UHFFFAOYSA-N 336.464 4.232 0 40 EIAB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 5036993 OWONWJCGRZVWEK-LLVKDONJSA-N 342.782 4.005 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCC1 5200000 XDAUGBVVKKHIPA-UHFFFAOYSA-N 326.362 4.434 0 40 EIAB C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1 5348062 RTOVSWPWNYKPES-LMNJBCLMSA-N 331.500 4.061 0 40 EIAB Cc1ccc2nc(C3CCN(C(=O)c4ccccc4C)CC3)[nH]c2c1 5626047 VOQCNRDKLPROPD-UHFFFAOYSA-N 333.435 4.200 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 5628902 BCRLLYGESUBULV-AAVRWANBSA-N 332.469 4.249 0 40 EIAB COCc1c(C(=O)Nc2nc3ccccc3s2)oc2ccccc12 6270868 RZLOLFUHYYMYBI-UHFFFAOYSA-N 338.388 4.441 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)NCCc3ccccc3)s2)cc1 6662030 WGLZPWDNAJNIFF-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB COc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1Cl 7146583 LINXDVHNFQSQEJ-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)c1 7342905 POGWCQWNGRTVGN-YBEGLDIGSA-N 340.404 4.098 0 40 EIAB CC(C)c1ccc(NC(=S)N2CCn3c2nc2ccccc23)cc1 7359855 SCQICPMTMTWKQA-UHFFFAOYSA-N 336.464 4.377 0 40 EIAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 7378545 BDVOWKXZXMFLNS-LBPRGKRZSA-N 349.261 4.379 0 40 EIAB COc1ccc([C@H]2CCCN2c2ncnc3sccc23)c(OC)c1 7470318 RCGHFNGLJHTEFE-OAHLLOKOSA-N 341.436 4.050 0 40 EIAB Cc1cc(C)c(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1C 7471536 NSKYHUPALMSPNP-UHFFFAOYSA-N 337.448 4.372 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)Oc1ccc2c(c1)OCO2 7658800 VOGRAJHFKAFCKD-UHFFFAOYSA-N 348.354 4.067 0 40 EIAB CCc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1C 7878559 NQTPPLXTIYWOFW-CQSZACIVSA-N 328.481 4.177 0 40 EIAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccccc2Cl)OC1=O 8179332 WZQAIKMRXBRYNA-YVLHZVERSA-N 336.778 4.474 0 40 EIAB CCc1cccc2c(-c3csc(NC[C@@H]4CCCO4)n3)c[nH]c12 8191938 JUZHBVIUFMKMQV-ZDUSSCGKSA-N 327.453 4.445 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 8722818 PROCFPCPIJPGQU-CCEZHUSRSA-N 348.446 4.355 0 40 EIAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3nccs3)s2)cc1 9364637 OCYOGTQPZBGCBC-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB O=C(CCC(=O)c1ccccc1)N[C@H]1CCSc2ccccc21 10027990 JEHNRAPAEFVVCF-INIZCTEOSA-N 325.433 4.003 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 10295312 ZPRBQVMNZXPTAE-NSHDSACASA-N 349.839 4.246 0 40 EIAB CCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 10893754 XBZDEGFPKGHFBB-UHFFFAOYSA-N 338.432 4.139 0 40 EIAB C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1 11903085 QYAHCTYPAYSEEB-CQSZACIVSA-N 335.432 4.263 0 40 EIAB Cc1ccc2c(-c3csc(NC(=O)[C@]4(C)CCCO4)n3)c[nH]c2c1 12193711 MSIKUNFSTCZJLN-SFHVURJKSA-N 341.436 4.107 0 40 EIAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C)c(C)c1 12740192 RCRFHHJDTUUWOS-UHFFFAOYSA-N 325.408 4.222 0 40 EIAB CC(C)n1nccc1NC(=O)CSc1ccc(C(C)(C)C)cc1 12754875 DWLRCMXMUNHRNZ-UHFFFAOYSA-N 331.485 4.492 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1C 12796241 NFMVNKIKLNWKQH-CYBMUJFWSA-N 343.496 4.244 0 40 EIAB Cc1ccc(-c2cc(CC(=O)N3c4ccccc4C[C@H]3C)no2)cc1 12862699 XRVPJMBYEABZMZ-OAHLLOKOSA-N 332.403 4.170 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 12939847 MFROBZKPOKCDOE-KRWDZBQOSA-N 325.408 4.114 0 40 EIAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 12982541 HIACLDBXHQFSQP-HNNXBMFYSA-N 347.414 4.299 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N2CCCc3ccccc32)cc1 15519679 GGRDZNRKZDXPKJ-CQSZACIVSA-N 327.449 4.155 0 40 EIAB Clc1ccccc1CN1CC[C@H](c2nc(-c3cccs3)no2)C1 19348836 QXEGMPFEMDUOAO-ZDUSSCGKSA-N 345.855 4.441 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 20483685 JBFYNBRWMSYVRJ-KBPBESRZSA-N 347.842 4.383 0 40 EIAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccc1 23126018 BDQCOMNICCPYGB-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CC[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)CCO1 23888100 RLHMJMPXSVTVLH-CQSZACIVSA-N 343.427 4.113 0 40 EIAB C[C@H](NC(=O)N(C)Cc1ccc(C(C)(C)C)cc1)c1ccccn1 26186428 XRLOWEALIFTYNK-HNNXBMFYSA-N 325.456 4.282 0 40 EIAB Cc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 27223030 XGWVQVAFVCAZSA-LJQANCHMSA-N 337.492 4.469 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28219813 IWQDWDRBWFMRJN-UHFFFAOYSA-N 334.379 4.027 0 40 EIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc2ccccc12 31525253 RTYDDCBYODKFGJ-UHFFFAOYSA-N 333.387 4.182 0 40 EIAB Cc1ccc2oc(=O)cc(C[P@](=O)(O)CCc3ccccc3)c2c1 32124351 FXVQRJJZVLCXKH-UHFFFAOYSA-N 342.331 4.115 0 40 EIAB biogenic CCOC(=O)c1csc(-n2nc(C(F)F)cc2-c2ccccc2)n1 33435769 ZKJNGTKCEOGZQX-UHFFFAOYSA-N 349.362 4.110 0 40 EIAB Cc1ncsc1C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 55443262 STMLHGUCEZCLDK-NSHDSACASA-N 338.835 4.091 0 40 EIAB O[C@@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc12 60342747 AUURWASIUZNMSJ-HUUCEWRRSA-N 325.437 4.074 0 40 EIAB CCCOc1ccc(Br)cc1/C=C/C(=O)OC(C)C 62715817 IXHXNEGYTCRIGX-VMPITWQZSA-N 327.218 4.203 0 40 EIAB Cc1ccccc1SCC(=O)Nc1nnc(-c2ccsc2)s1 65515803 HABDSWXXGOATSZ-UHFFFAOYSA-N 347.490 4.306 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(F)c(N(C)C)c(F)c1 71915969 IVHPDRPWMBPHMM-INIZCTEOSA-N 348.397 4.041 0 40 EIAB Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1 71977704 WWFPXBWZDGLOLR-UHFFFAOYSA-N 344.187 4.294 0 40 EIAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 72228959 ZMMDHLODYMMRES-UHFFFAOYSA-N 348.450 4.434 0 40 EIAB O=C(CC/C=C/c1ccccc1)Nc1ccccc1N1CCOC1=O 78101484 UTLOHPNUISLAGV-ONNFQVAWSA-N 336.391 4.075 0 40 EIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC(C)(C)C1 78934873 UHLWALJUYOHQQH-UHFFFAOYSA-N 345.874 4.074 0 40 EIAB O=C(OC[C@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1 84559947 CSQJVRHEKCJWFN-MRXNPFEDSA-N 337.375 4.221 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2ccccc2C(F)(F)F)no1 89262877 HFGAAFVCZZNSIS-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB O=C(Nc1ccccc1NCc1cn2ccccc2n1)c1cccs1 95409493 NVRGTGZLTUCZEC-UHFFFAOYSA-N 348.431 4.260 0 40 EIAB O=C(OC[C@H]1CCCO1)C1(c2cccc(C(F)(F)F)c2)CCCC1 95469931 XLJZSZSLQPGDPS-OAHLLOKOSA-N 342.357 4.239 0 40 EIAB CC(C)CCO[C@@H]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)C1 95973978 DXZKAJZVJSLSCB-QGZVFWFLSA-N 343.427 4.011 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 98211000 OKBIJWPUTWBGJD-AWEZNQCLSA-N 329.400 4.117 0 40 EIAB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@@]12C(=O)Nc1ccccc12 100220524 GTULREJDOUZDPM-HCNNBSJSSA-N 349.817 4.235 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 108960264 DWXMVMPBFRTSFY-MRBYEJRBSA-N 340.236 4.143 0 40 EIAB COc1ccccc1NC(=O)N1CCS[C@H](c2cccs2)CC1 219530248 WPRPCKZNWODXQF-INIZCTEOSA-N 348.493 4.469 0 40 EIAB O=C(CCc1ccccc1Cl)NCCSCc1ccccc1 220011265 OXZOFXHYXFBZMS-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NC(C)(C)Cc1ccccc1 225088488 BMVSWFZPCCSMTJ-GOSISDBHSA-N 325.452 4.290 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225118027 MRBFISVUEVNCCH-LJQANCHMSA-N 328.408 4.202 0 40 EIAB Cc1cccc(CSCC(=O)NC(C)(C)Cc2ccccc2)c1 225873129 ZBVWARMJWMEPLE-UHFFFAOYSA-N 327.493 4.366 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 226301516 ZCBGOBKRWZUCNX-RYUDHWBXSA-N 332.831 4.300 0 40 EIAB CC(C)[C@H](NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 248239752 NZVJOVWXGCKQFU-QINHECLXSA-N 343.467 4.097 0 40 EIAB CCCCOc1ccc(C(=S)NCCc2ccc(OC)cc2)cc1 408574694 MHLCVMWORKLVSJ-UHFFFAOYSA-N 343.492 4.382 0 40 EIAB O=C1COc2ccc(Cl)cc2N1Cc1ccc(F)cc1Cl 408605243 LFXXAXVBUNABLI-UHFFFAOYSA-N 326.154 4.058 0 40 EIAB O=C(c1cc(Cl)ncc1Cl)N1CC2(CCC2)[C@@H]1c1cccnc1 585126879 KKTWNUHUKQVCES-HNNXBMFYSA-N 348.233 4.151 0 40 EIAB Cc1cc(Cl)c(C(=O)Nc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)cc1C 1549723634 QSHONIVLRUBSSS-CABCVRRESA-N 343.810 4.397 0 40 EIAB c1cc(C(=C(c2ccncc2)c2ccncc2)c2ccncc2)ccn1 2048532864 ZTIDKYAFTJKSNT-UHFFFAOYSA-N 336.398 4.274 0 40 EIAB C[C@@H](C[C@@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl 376861 WEGRZIRJQQGVAM-VHSXEESVSA-N 344.238 4.300 0 40 EIAB O=c1ccc2ccc(Oc3ncnc4sc5c(c34)CCC5)cc2o1 1014160 CVXXFDJCCVQWCH-UHFFFAOYSA-N 336.372 4.079 0 40 EIAB O=C1c2ccccc2-c2cc(Cl)c(NC(=O)C(F)(F)F)cc21 1696170 CHWPVJVTOBPYPU-UHFFFAOYSA-N 325.673 4.052 0 40 EIAB C[C@@H]1CCCc2sc3ncn4nc(-c5cccc(O)c5)nc4c3c21 2326611 WDJHFTCEOSKDDO-SNVBAGLBSA-N 336.420 4.151 0 40 EIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1 2658079 SZNLIZUQPOQMCY-NSHDSACASA-N 349.839 4.231 0 40 EIAB CCOC(=O)c1c(NC(=O)c2sccc2C)sc(C)c1CC 3265611 DKXCGSOHTHZXLX-UHFFFAOYSA-N 337.466 4.418 0 40 EIAB C[C@H]1CCC[C@H](C)N1CC(=O)Nc1ccccc1Cc1ccccc1 3322026 JSQYUKKJLJXHJF-ROUUACIJSA-N 336.479 4.479 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 3606815 HTWFQCBCJQDYSA-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB Cc1cccc(C)c1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 4648684 QMMOBBFKEICROL-UHFFFAOYSA-N 341.451 4.002 0 40 EIAB Cc1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 5172106 GUXCJWIXHXZRTA-UHFFFAOYSA-N 331.415 4.280 0 40 EIAB Cc1ccc([C@H](CCNCCCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 5348424 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C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NC(=O)c2ccco2)cc1 12789839 BJJMMNBPQJVQIR-CQSZACIVSA-N 346.386 4.123 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H]1CCCc2occc21 12936466 IKOYYOHUKKXUCM-AWEZNQCLSA-N 344.461 4.201 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)s1 12973177 BKXNITARHIZOFN-UHFFFAOYSA-N 330.796 4.405 0 40 EIAB O=C(Nc1ccc(F)cc1)c1ccc(OCc2cscn2)cc1 12997803 DRQBFMIHFDZNEZ-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB Fc1cccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)c1 13686230 PFOOBYFYKLPGAP-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB O=C(CCC(=O)N1CCCc2ccccc21)c1ccc2c(c1)CCC2 14228321 HSRFSYHOSYSRHL-UHFFFAOYSA-N 333.431 4.118 0 40 EIAB CCCNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 16639528 ZIWMEWFKXKLUOB-UHFFFAOYSA-N 347.871 4.248 0 40 EIAB O=C(Cc1csc(-c2ccccn2)n1)Oc1ccc(Cl)cc1 17335722 YRXTYVYGHBWMCP-UHFFFAOYSA-N 330.796 4.007 0 40 EIAB COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 18173855 SJKVVAXYNYNDLN-LJQANCHMSA-N 333.391 4.001 0 40 EIAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1 18179942 ITWRHJPFYUJFSK-SFHVURJKSA-N 347.409 4.169 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3cccc(F)c3)ccc2s1 20029680 ANKJVWMDDBQXQI-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB CCOc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1OCC 20490951 HAMJZBMYRMEUQU-UHFFFAOYSA-N 335.488 4.213 0 40 EIAB O=C(CCSc1ccc(F)cc1)Nc1cccc2ncccc12 22411252 UXQKYVOTHNWVKJ-UHFFFAOYSA-N 326.396 4.495 0 40 EIAB Cc1cccc(COc2cccc(C(=O)NCc3ccc(C)n3C)c2)c1 25318883 XTZZSZBSCYONPK-UHFFFAOYSA-N 348.446 4.151 0 40 EIAB CCC[C@H](C(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 25562299 JUSYZCSBLWQLDA-DLBZAZTESA-N 330.497 4.051 0 40 EIAB Cc1cccc(OCCNC(=O)c2cc3cc(F)ccc3s2)c1 27378289 UCWCRRKOGABIPV-UHFFFAOYSA-N 329.396 4.158 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c1 27920028 ZCPWCSRFOILZMC-UHFFFAOYSA-N 348.406 4.086 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 30751273 QTFBRMDDVQXDAM-RMJOCGACSA-N 341.495 4.464 0 40 EIAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccccc1)O2)CCC3 30819471 TYTVOLAJYUHKBH-QGZVFWFLSA-N 346.382 4.297 0 40 EIAB O=C(NCCc1ccc(F)cc1)c1ccccc1SC(F)(F)F 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C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1 58345326 VLOQQAOSZMHKHR-KXBFYZLASA-N 342.870 4.182 0 40 EIAB CN(C(=O)CNc1ccc2nc(C3CC3)sc2c1)c1ccccc1 63890526 FPVWZDQQBRZTHX-UHFFFAOYSA-N 337.448 4.249 0 40 EIAB CCn1c(S[C@@H](C)c2cccc(F)c2)nc2ccccc2c1=O 65542503 GBFWVXAHJMMVSX-LBPRGKRZSA-N 328.412 4.409 0 40 EIAB O=[S@@](C/C=C/c1ccccc1)Cc1coc(-c2cccs2)n1 69530744 ZQNYXRHXXHNGHT-QNBZTBGESA-N 329.446 4.365 0 40 EIAB COC(=O)[C@H](OC(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 83884313 JSJUPINWUCLZAK-GFCCVEGCSA-N 345.203 4.126 0 40 EIAB CCn1nc(C)c(CNCc2ccc(Cl)c3cccnc23)c1C 89300188 KQSOFHZKUOFAOZ-UHFFFAOYSA-N 328.847 4.011 0 40 EIAB Cc1nc2cc(F)cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c2nc1C 95364757 BIZQXKIHXMVZRG-KBXCAEBGSA-N 341.430 4.181 0 40 EIAB C[C@@H](Nc1nc2ccccc2s1)c1ccc(N2CCOC2=O)cc1 95377593 BUWCJRJWLSURJT-GFCCVEGCSA-N 339.420 4.426 0 40 EIAB C[C@H](N[C@H](c1ccccc1)c1ccco1)c1ccc(-n2cncn2)cc1 95419552 VKEZCWVNJAYVBW-HRAATJIYSA-N 344.418 4.301 0 40 EIAB CC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1 95420843 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EIAB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccc(F)cc2)cc1 223379008 HZWXCKPAZOMITC-AWNIVKPZSA-N 341.426 4.332 0 40 EIAB CCc1ccc(CC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223736620 QWLMAOBPQFKMOX-UHFFFAOYSA-N 339.479 4.284 0 40 EIAB Cc1cc(Br)cnc1NC(=S)NC1CCCCCC1 224041083 ZDDFTSKBWUTLIY-UHFFFAOYSA-N 342.306 4.162 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cn1 225900005 JYXJEZSGVXCFFB-HNAYVOBHSA-N 334.460 4.184 0 40 EIAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccc(Cl)cc1 256053684 SKCIJWCTFOTERE-FPYGCLRLSA-N 330.767 4.274 0 40 EIAB O=C(NCc1ccc(-c2ccsc2)o1)C1(c2ccc(F)cc2)CC1 575611845 YGFOCUBDHGLUPG-UHFFFAOYSA-N 341.407 4.495 0 40 EIAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(C(C)C)n2)c1 585265048 FUPWVTXQNGVZMA-UHFFFAOYSA-N 329.396 4.366 0 40 EIAB Cc1cc(C)c(CNC(=O)c2csc(C3CCCCC3)n2)cn1 622667944 ZLQDNXPDZDTYER-UHFFFAOYSA-N 329.469 4.133 0 40 EIAB Cc1ccc(C(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)s1 1116583347 RRTSOVDCTYLGKS-UHFFFAOYSA-N 341.436 4.160 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OCC)NCC2 34586 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CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(F)c1 7954060 RMVRFWPHUVDBJI-LJQANCHMSA-N 338.382 4.037 0 40 EIAB COc1ccc(Cl)c2c(O)c(CN3CCCCCC3)c(C)nc12 8717394 AGHKZSIWHDCKGG-UHFFFAOYSA-N 334.847 4.287 0 40 EIAB COc1ccc2oc(=O)c(C(=O)Nc3ccc4ccccc4c3)cc2c1 11565763 XIUNGCUUZGHXNW-UHFFFAOYSA-N 345.354 4.207 0 40 EIAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccn1 11565880 BPBRLUAUOWIMFM-UHFFFAOYSA-N 348.468 4.103 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccccc2C)c(Br)c1 11622799 LQFZUQKAYQZFKR-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB COc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 12588169 FWTKFIPEXHVZOJ-LJQANCHMSA-N 333.391 4.001 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccccn1 12608552 VBRFZPFDVBILSV-KVDXNUTJSA-N 332.378 4.140 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3c(F)cccc32)c1 12899619 BMFYQJFYZDKKFP-DYVFJYSZSA-N 345.439 4.255 0 40 EIAB O=C(NC1CC1)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 12925025 PAUSOGCXNXZWPL-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCC[C@H]1C 12949826 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COc1ccccc1CN[C@H](Cc1cccs1)c1nccs1 19570847 GQUSBPXQCUGEOS-OAHLLOKOSA-N 330.478 4.287 0 40 EIAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1O 19905563 GYKSSWPGXDAEFY-UHFFFAOYSA-N 336.229 4.474 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(OC)cc1 20108457 VRROQBGHKDZNDD-CXAGYDPISA-N 347.842 4.383 0 40 EIAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)cc1 20632701 KIODMLQCORUXRC-INIZCTEOSA-N 332.403 4.102 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C 22186454 RLJNHVCLTMAWGT-HIFRSBDPSA-N 330.453 4.258 0 40 EIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCCC1=CCCCC1 22651960 KRKSWFCRTSJLKG-VOTSOKGWSA-N 333.815 4.089 0 40 EIAB COc1cc(C(=O)Nc2cccc(C)n2)cc(Cl)c1OCC(C)C 24838460 ZZGRSHCRWYXWSB-UHFFFAOYSA-N 348.830 4.339 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1C 27580533 JOHZCPORRZXTED-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB COc1ccc(CN[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 31813209 CQATYJFSTOXRAE-QFIPXVFZSA-N 347.414 4.303 0 40 EIAB COc1ccc(-c2nc(CC(=O)N(C)c3ccccc3)cs2)cc1 32518169 IWPRIDSKHNCQMN-UHFFFAOYSA-N 338.432 4.024 0 40 EIAB CC(=O)c1sc(N(C(=O)c2ccc(Cl)cc2)C2CC2)nc1C 36612179 KAOIFCZBXZQZJB-UHFFFAOYSA-N 334.828 4.117 0 40 EIAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccccc1 36639294 MCPWORWXNGTEPV-UHFFFAOYSA-N 326.396 4.434 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2ccc(F)cc2)C1 40266260 IABAWGKCWMVDRW-OAHLLOKOSA-N 343.308 4.413 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccn(-c2ccccc2)n1 43054547 XKPDUEFMRFKVHV-UHFFFAOYSA-N 345.324 4.072 0 40 EIAB CC[C@@H](NC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)c1cccs1 57243504 FPUFRAGFUGONBD-MLGOLLRUSA-N 345.468 4.218 0 40 EIAB Cc1c(C(=O)N(CCN(C)C)c2ccccc2)sc2ccccc12 58151196 CWWDPHPGOKEQSE-UHFFFAOYSA-N 338.476 4.418 0 40 EIAB Cc1ccccc1OCCOC(=O)c1ccccc1Oc1cccnc1 58159898 QHHIXUUSWOWTMB-UHFFFAOYSA-N 349.386 4.418 0 40 EIAB CCc1nc2ccccc2n1CC(=O)N(C)c1cccc2ccccc12 58393674 DAJOYPWTHXCWBE-UHFFFAOYSA-N 343.430 4.415 0 40 EIAB O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)C1CCCC1 71909315 CLWJCFQAADQURN-DEOSSOPVSA-N 341.476 4.264 0 40 EIAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3sccc3C3CC3)C2)no1 72232387 YVNBFKYVBJXIMK-CYBMUJFWSA-N 345.468 4.152 0 40 EIAB CC[C@@H](NC(=O)Nc1cccc(OC(F)F)c1C)c1nccs1 72292028 PVFLAAOYTJDTEL-SNVBAGLBSA-N 341.383 4.326 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cccc(COC(C)C)c1 73186513 WYGASEJCFMACIX-GFCCVEGCSA-N 331.416 4.099 0 40 EIAB C[C@@H](Nc1ncnc2ccc(F)cc12)c1cccc(-n2cccn2)c1 75062870 IWFPWUUNGKBWKN-CYBMUJFWSA-N 333.370 4.128 0 40 EIAB CC(C)c1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)[nH]n1 78480611 NRGAKLOTHARUCJ-SFHVURJKSA-N 327.428 4.172 0 40 EIAB Cc1ccc(Sc2nsc(NC(=O)c3ccccc3)n2)cc1 80343693 MUWXPGXCROEPLM-UHFFFAOYSA-N 327.434 4.250 0 40 EIAB O=C(c1cccc2cn[nH]c12)N(CCC(F)(F)F)C1CCCCC1 84620727 SHGDAABHRLRHHL-UHFFFAOYSA-N 339.361 4.290 0 40 EIAB CCN(CC)c1ccc(-c2nnc(S[C@H]3CCCCC3=O)o2)cc1 84774026 CBHLRYTZYHFSRP-INIZCTEOSA-N 345.468 4.187 0 40 EIAB COc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)c2cccnc12 89438451 XHRDXRGAPOMPCO-KRWDZBQOSA-N 348.406 4.007 0 40 EIAB Cc1ccc(-c2nc(CN3CC[C@@H](Nc4ccccc4)C3)cs2)o1 89656217 DYEXMUPXEVXTDR-MRXNPFEDSA-N 339.464 4.398 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 95389728 WMEDBOLNZAPMDO-JKSUJKDBSA-N 339.782 4.132 0 40 EIAB CCc1nnc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)s1 96183812 WMBYQPSNFZVLLI-UHFFFAOYSA-N 349.799 4.392 0 40 EIAB C[C@@H](c1ccccc1)N1CCC(NC(=O)CCc2ccsc2)CC1 96407284 VIZSAVAMPHGJIA-INIZCTEOSA-N 342.508 4.023 0 40 EIAB CC(=O)Nc1cc(F)c(F)cc1NCc1ncc(-c2cccs2)o1 96444402 WXZSGLAIWXCVTI-UHFFFAOYSA-N 349.362 4.252 0 40 EIAB Cc1ccc(-n2c(=N)c3nc(-c4ccccc4)oc3n(C)c2=S)cc1 102479507 GEOZJCBDVXKBPG-UHFFFAOYSA-N 348.431 4.141 0 40 EIAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)c1cc(-n2cccc2)ccc1Cl 170609912 NFXSKTFPTFBFTD-RRFJBIMHSA-N 326.827 4.073 0 40 EIAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2ccc(O)cc2)c1 186603062 NGKAIAVODSALJK-XMMPIXPASA-N 346.452 4.083 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C 223433824 MLBXLNOMAVMXCT-UHFFFAOYSA-N 341.885 4.480 0 40 EIAB Cc1cc(O[C@@H](Cc2ccccc2Cl)C(=O)O)ccc1Cl 225056277 MUCQFRPUECJLOT-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F 225395363 LIJFZQOGMJBOAL-UHFFFAOYSA-N 349.361 4.318 0 40 EIAB O=C(Nc1ccccc1)Nc1cc(C(=O)O)cc(Cl)c1Cl 226321674 FACFQMVDWUVHNH-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247514890 VDMHBLZZKLQJCE-MGPQQGTHSA-N 328.481 4.343 0 40 EIAB COc1cccc(CN2CC[C@H](c3nc(-c4ccccc4C)no3)C2)c1 257268043 MJZNYNQDGTVRDT-KRWDZBQOSA-N 349.434 4.043 0 40 EIAB O=C1N/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccccc1 409205112 LYOPLGUGOOXCDP-NTEUORMPSA-N 347.201 4.086 0 40 EIAB O=C(NCc1ccc(F)cc1)NC[C@H](c1ccco1)c1cccs1 585146799 QVFYVMQXFZZFFY-OAHLLOKOSA-N 344.411 4.112 0 40 EIAB Clc1cccc(-n2cc(CN3CCc4ccccc43)nn2)c1Cl 1652015412 OWYJHNVODTWONQ-UHFFFAOYSA-N 345.233 4.137 0 40 EIAB COC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 112239 FCBFAPUHTFFAIH-UHFFFAOYSA-N 326.304 4.039 0 40 EIAB COC(=O)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 144000 BPXZIHYSBCHARA-UHFFFAOYSA-N 340.331 4.347 0 40 EIAB O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1c1ccccc1 178533 MIPRIBYCDHSEAA-UHFFFAOYSA-N 342.398 4.241 0 40 EIAB Cc1ccc(-n2ncc(SCc3ccccc3)c(Cl)c2=O)cc1 385737 JDRMSSWCZUKONR-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB CCn1nc(NC(=O)c2cccc(C)c2)c2cc3cc(C)ccc3nc21 1273144 YPMFXRDXFCWZJS-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB CC(=O)O[C@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 1615832 CDGAJXKXQQRYAY-TXPKVOOTSA-N 335.875 4.456 0 40 EIAB COc1ccc(OC)c(NC(=O)Nc2ccccc2C(F)(F)F)c1 1753318 DQUUGLXAHYPPBO-UHFFFAOYSA-N 340.301 4.367 0 40 EIAB CCCCCCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 2073884 ISSXLKGOHYHCEL-LBPRGKRZSA-N 330.457 4.361 0 40 EIAB Cc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1 2638767 HBUCVXKBBXGWDJ-UHFFFAOYSA-N 337.198 4.213 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(F)cc1Cl 3285991 UAXYPJVSSVIMIA-UHFFFAOYSA-N 336.746 4.047 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2ccccc2Cl)cc1 3318784 PEHMDOZNTBXYTB-UHFFFAOYSA-N 332.831 4.204 0 40 EIAB CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 3376572 HDSOYSZFZWYHLO-LBPRGKRZSA-N 331.799 4.086 0 40 EIAB CCOC(=O)c1sc(NC(=O)CCSc2ccccc2)cc1C 4194700 HXKPDVWMYXAKDV-UHFFFAOYSA-N 349.477 4.354 0 40 EIAB Cc1ccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)cc1 5031988 ZXNVYAPIRHDBDY-UHFFFAOYSA-N 347.462 4.500 0 40 EIAB Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(N)=O)c1C 6254895 OKQGUVBGMMHSOX-UHFFFAOYSA-N 343.235 4.023 0 40 EIAB O=C(Nc1cccc(Cl)c1N1CCCC1)C(Cl)(Cl)Cl 6547961 PBIVENOFQQVBQD-UHFFFAOYSA-N 342.053 4.249 0 40 EIAB CCCCSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 6635774 AFKCAXMJAUWBDI-LLVKDONJSA-N 329.466 4.184 0 40 EIAB CCc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 6816166 XAZRZNQGGDCTID-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB COc1c(Cl)cc(C(=O)NCc2ccccc2F)cc1Cl 8246690 NTGRFKQIMWPYIB-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1 9461339 GUJLNWBXSHYZIG-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB Fc1ccc(F)c(-c2nnc3sc(/C=C/c4cccs4)nn23)c1 9476668 XYOXEGSIXZXLKF-GQCTYLIASA-N 346.387 4.363 0 40 EIAB CC(C)c1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9902108 KVVSSUMBFXVJQJ-UHFFFAOYSA-N 348.446 4.255 0 40 EIAB Cc1ccc(Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)cc1 9926715 QHBCBQMJYDCVCL-UHFFFAOYSA-N 348.446 4.025 0 40 EIAB CC(C)[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1 10405723 FSCSCEHPDAOIDQ-QGZVFWFLSA-N 342.830 4.340 0 40 EIAB COc1cc(CNC(=O)c2ccc(Cl)cc2)ccc1OC(C)C 10542666 PCMHPJISZUOAGC-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB O=C(CNc1cccc(F)c1)N[C@@H](c1ccccc1)c1cccs1 11121638 BZUVITYVTSXDJJ-IBGZPJMESA-N 340.423 4.205 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 11637189 QZOXYHHBLTXCDR-IBGZPJMESA-N 327.424 4.498 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 12978627 MKGFPFHYXVCNLY-GOSISDBHSA-N 344.386 4.116 0 40 EIAB C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23)c1ccccc1 13565827 XSEYAMZYPVOSBI-HUUCEWRRSA-N 344.414 4.066 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3nccs3)cc2)cc1 14124825 POZIODJMFLOPCX-NYYWCZLTSA-N 336.416 4.471 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(Br)cc1 14423457 ZHDOJCZSBAIYKF-UHFFFAOYSA-N 344.252 4.279 0 40 EIAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 17289207 IFHGGYDTYPNLCZ-UGSOOPFHSA-N 328.843 4.011 0 40 EIAB Cc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1Cl 18177832 HAEHRZWBLJQXKS-UHFFFAOYSA-N 327.815 4.494 0 40 EIAB COc1ccc(OC)c(CN2CCCCC[C@H]2c2cc(C)no2)c1 19120235 PWUVLLMKVCZKJN-KRWDZBQOSA-N 330.428 4.118 0 40 EIAB Cc1cccc(C)c1NC(=S)[C@H](c1ccccc1)N1CCOCC1 20130345 LWMQYASCROCZCR-IBGZPJMESA-N 340.492 4.116 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccccc1Cl 20451322 JBPFRKRGSRRQQG-MRXNPFEDSA-N 347.842 4.213 0 40 EIAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4cccc(C)c4)c3C2)cc1 20632863 NRMUYDOBNVASSZ-KRWDZBQOSA-N 346.430 4.410 0 40 EIAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1cccc(Cl)c1 21466169 FSRRJSYYNXGGAN-LLVKDONJSA-N 335.860 4.021 0 40 EIAB O=C(CSc1ccc(C(F)(F)F)cn1)NC1CCCCCC1 21635737 LAVCOQVORIZVKV-UHFFFAOYSA-N 332.391 4.032 0 40 EIAB COc1ccc(NC(=O)c2cccnc2Nc2ccc(C)cc2)cc1 22072051 IOPCOIVDJFHMBP-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB c1ccc(CCNCc2cccc(CNCCc3ccccc3)c2)cc1 23424863 BJZQIBNIWOPAGI-UHFFFAOYSA-N 344.502 4.351 0 40 EIAB O=C1COc2ccc(-c3csc(Nc4ccccc4F)n3)cc2N1 25055665 MDBAUSIXLUERLG-UHFFFAOYSA-N 341.367 4.024 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cnc2ccccc2c1 25157399 ZWPNYWBLEBHYQK-UHFFFAOYSA-N 331.350 4.483 0 40 EIAB CCCCOc1ccc(OC)cc1NC(=O)c1cccc2cn[nH]c12 28017101 OLZNYZYFHWQHFM-UHFFFAOYSA-N 339.395 4.003 0 40 EIAB COC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)c2ccccc2n1 38486582 JWMANKJLBPAFIE-UHFFFAOYSA-N 342.782 4.427 0 40 EIAB CCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)sc1C 40013449 PYLJSWNXTWSGPG-INIZCTEOSA-N 339.464 4.473 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)O)cc1 40867795 ZBOFZZSJJIAQEQ-ZDUSSCGKSA-N 341.407 4.088 0 40 EIAB COc1ccccc1OCC(=O)Nc1ccc2[nH]c3ccccc3c2c1 44781778 MSIMWNTWLWCOEH-UHFFFAOYSA-N 346.386 4.347 0 40 EIAB O=C(/C=C/c1ccccn1)OCc1csc(-c2ccc(F)cc2)n1 47574045 AXQARWLLMJDTAI-CMDGGOBGSA-N 340.379 4.101 0 40 EIAB COc1ccccc1NC(=O)NCc1cc2cc(F)ccc2s1 48303359 YJVWUCOHKWDVCU-UHFFFAOYSA-N 330.384 4.371 0 40 EIAB O=C(CCNc1ccc(F)c(Cl)c1)c1cc2ccccc2oc1=O 49947115 OOIFJNWQZVCUFM-UHFFFAOYSA-N 345.757 4.270 0 40 EIAB biogenic,in-vitro CC[C@@H]1CCCCN1C(=O)c1cccc(OCc2c(C)noc2C)c1 50124100 IKSHUQFXNNVEHZ-QGZVFWFLSA-N 342.439 4.275 0 40 EIAB CCCn1cc(NC(=O)c2ccccc2SC(C)C)ccc1=O 56079644 CJWFDYMRAVHRKT-UHFFFAOYSA-N 330.453 4.011 0 40 EIAB CC(C)Oc1ccccc1NC(=O)CCC(=O)c1ccc(F)cc1F 58249313 YLXFJSDOHDVXEP-UHFFFAOYSA-N 347.361 4.354 0 40 EIAB Cc1ccc(-c2nc(CN(C[C@@H](C)O)c3ccccc3)cs2)o1 58425867 SINSEOBHZUCXOG-CYBMUJFWSA-N 328.437 4.099 0 40 EIAB FC(F)(F)c1nc2ccccc2n1Cc1ccn(-c2ccccc2)n1 60279108 CTTNUAWCSPJLSB-UHFFFAOYSA-N 342.324 4.289 0 40 EIAB CC(C)c1ccc(NC(=S)NCCCN2CCCCCC2)cc1 61247032 GNQMIMDGZJTMLS-UHFFFAOYSA-N 333.545 4.363 0 40 EIAB CCc1nnc(CN(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)o1 71855443 YDWPNZVGOUUELO-NSHDSACASA-N 339.361 4.376 0 40 EIAB CCN(CCC(F)(F)F)C(=O)c1cccc(Oc2ccncc2)c1 71903040 QGOPNVPDXUOAHP-UHFFFAOYSA-N 338.329 4.288 0 40 EIAB CC(=O)[C@H]1C[C@H]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 72238810 YYLLMNWSIXHQPJ-OXQOHEQNSA-N 334.394 4.446 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2F)n1 72273777 YISLYXFIZCOVDL-VYDXJSESSA-N 344.455 4.448 0 40 EIAB CCc1ccc2oc(-c3cc(N)cc(Br)c3O)nc2c1 73634560 IGMHOPBKGNFSIF-UHFFFAOYSA-N 333.185 4.108 0 40 EIAB COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H](CC(C)C)C3)c2c1 79104728 SEDGBMKIQFSBMW-HNNXBMFYSA-N 328.456 4.004 0 40 EIAB COc1ccc(N2C[C@H](c3nc4cc(Cl)ccc4o3)CC2=O)cc1 82087153 MEQOFQDBQOWYRO-LLVKDONJSA-N 342.782 4.010 0 40 EIAB CCOc1ccc(-c2nc(-c3cccc(Cl)c3)n[nH]2)cc1OC 85384350 FGZBKDZNHZANSV-UHFFFAOYSA-N 329.787 4.199 0 40 EIAB CSc1ccc(NCc2nnc(Cc3ccccc3)o2)cc1F 86211076 IXDNEQFDEADUIC-UHFFFAOYSA-N 329.400 4.134 0 40 EIAB O=Cc1cccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 89262912 HRLWBOIYNLSAKY-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2c(F)cccc2NC(C)C)cc1C 89643286 ZWMPXGGSLSQMCH-UHFFFAOYSA-N 336.432 4.064 0 40 EIAB COc1ccc(Cl)cc1[C@@H](C)N[C@H](CCO)c1cccs1 95423033 NCBVCTKAWAGWEQ-BXUZGUMPSA-N 325.861 4.184 0 40 EIAB C[C@H](C(=O)N(C)Cc1nc2ccccc2o1)c1ccc(Cl)s1 95429517 IJGSNSYCENTGCK-JTQLQIEISA-N 334.828 4.305 0 40 EIAB Fc1ccc(-c2nc3nccc(-c4ccsc4)n3n2)cc1Cl 95480294 RVOSWPUXABGJJS-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Fc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 100987281 RVCRMXKVBCXYKO-OAHLLOKOSA-N 344.752 4.266 0 40 EIAB O=C(NCc1cccs1)N1CCS[C@H](c2ccccc2)CC1 211144512 RIFAHCKMYPGCFH-INIZCTEOSA-N 332.494 4.138 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cccc3ccccc23)cc1 218914158 DPSDHHOKGKXMOE-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccc(F)cc1 222734222 YQVVDCNGQNPMGS-HUUCEWRRSA-N 341.426 4.349 0 40 EIAB Cc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1C 225044031 FVNHCMKAKRZRAO-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB CCCCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225891067 OZIJLFUJUKWJEV-UHFFFAOYSA-N 334.460 4.103 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252506849 WQVMLLJZZDUUPC-MXTNKPTQSA-N 339.564 4.383 0 40 EIAB Cc1ccc(CCCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)s1 257173871 ZRSDBMDEFBHICS-UHFFFAOYSA-N 342.464 4.248 0 40 EIAB O=C1Nc2ccccc2S/C1=C\c1cc2c(cc1Cl)OCO2 409097506 MKGSULFAYUCTSM-UUASQNMZSA-N 331.780 4.154 0 40 EIAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409220894 HKYVQDZFJNCSGS-QGOAFFKASA-N 334.419 4.077 0 40 EIAB CCc1ccc(CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cn1 512011274 YOWAPJJPNSARFQ-AWEZNQCLSA-N 328.431 4.423 0 40 EIAB COC1(CNc2ccc(NC(=O)N3CCCCCC3)cc2)CCC1 583651091 HGHZQHUAQVMMAY-UHFFFAOYSA-N 331.460 4.076 0 40 EIAB O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1c[nH]c2ncccc12 590473287 RQVWRRZCCRBIPZ-UHFFFAOYSA-N 339.826 4.416 0 40 EIAB COc1ccc2cc(C(=O)NC3(c4ccc(F)cc4)CCC3)[nH]c2c1 620248892 VNQXXZRETLBPSJ-UHFFFAOYSA-N 338.382 4.125 0 40 EIAB O=C(COc1ccccc1F)NCc1cc(-c2ccsc2)cs1 1775969644 DRFHQDLSNTUMIF-UHFFFAOYSA-N 347.436 4.311 0 40 EIAB COC(=O)c1ccccc1OC(=O)[C@H](C)c1ccc(CC(C)C)cc1 364000 JSLDFKUIJRNGOL-OAHLLOKOSA-N 340.419 4.381 0 40 EIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)o2)cc1 422894 HIKKJJRCQYBFQB-CYBMUJFWSA-N 339.420 4.164 0 40 EIAB CCn1nc(NC(=O)c2ccccc2C)c2cc3ccccc3nc21 527207 SKVSCQRMKQDETD-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB CC[C@@H](C)NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324272 RUDYVSFQYFTKKI-GFCCVEGCSA-N 330.428 4.419 0 40 EIAB COc1ccc([C@@H](CCN(Cc2ccco2)C(C)=O)C(C)C)cc1 2145368 PNOJTWNKYMZRDD-FQEVSTJZSA-N 329.440 4.467 0 40 EIAB biogenic CC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2351523 FERFOUTWABYQAB-UHFFFAOYSA-N 341.798 4.195 0 40 EIAB COc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 2629733 XRPGGQLXKTXSQL-UHFFFAOYSA-N 335.856 4.147 0 40 EIAB CCCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 2719774 PDMNIVVBJBCMHJ-UHFFFAOYSA-N 332.494 4.081 0 40 EIAB Cc1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1O 3281888 AWNAIMVFAISLBC-UHFFFAOYSA-N 325.389 4.181 0 40 EIAB Cc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)cc1Cl 3327163 RGRKTYQAFASMPE-UHFFFAOYSA-N 337.250 4.372 0 40 EIAB CC(=O)Nc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1 3646836 ZEYZBSFUGHQPJB-UHFFFAOYSA-N 332.363 4.386 0 40 EIAB CC(C)n1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033427 NGEDGNQJDCVHHA-CQSZACIVSA-N 337.398 4.277 0 40 EIAB C[C@]12Cc3conc3C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4198998 NSYTUNFHWYMMHU-RJOVDCOGSA-N 329.484 4.383 0 40 EIAB biogenic Cc1ccc(SCC(=O)Nc2nc(-c3ccncc3)cs2)cc1 4303361 PNOKQMWPGJOUHY-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB CC(C)n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 4736094 RIQANKBBMCIDPJ-UHFFFAOYSA-N 345.399 4.233 0 40 EIAB Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)CC(C)C)n2)cc1 4783719 ZSZDYCGUDKGUSD-UHFFFAOYSA-N 338.411 4.145 0 40 EIAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCCCCC3)n2)n1 5426777 WORAEAFCESIVKZ-UHFFFAOYSA-N 347.466 4.327 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCc2nc(-c3ccccc3)sc2C1 6758185 XKVJRQUKSUKXOF-VAWYXSNFSA-N 346.455 4.408 0 40 EIAB COc1ccccc1-c1nc2c3c(C)c(C)n(CC(C)C)c3ncn2n1 6760189 HNCZRQLUNREKLQ-UHFFFAOYSA-N 349.438 4.027 0 40 EIAB Cn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccco1 8208064 JNRAMOCZMUXSFH-UHFFFAOYSA-N 338.392 4.022 0 40 EIAB CC(=O)c1ccccc1OCCSc1nnc(-c2ccoc2C)o1 8734064 PQLJISAQXBVBOV-UHFFFAOYSA-N 344.392 4.012 0 40 EIAB CCc1cc2c(SCc3nnc(-c4ccco4)o3)ncnc2s1 9593071 SIWOKNNOMRNZNC-UHFFFAOYSA-N 344.421 4.189 0 40 EIAB CC(C)Cc1ccc([C@@H](NC(=O)NCc2ccncc2)C(C)C)cc1 9795986 GAYGJUXOPHUOLV-FQEVSTJZSA-N 339.483 4.477 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2)c(C)c1 10446267 WWKDYCQNBGSFLU-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CCOc1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 10448466 RJUJKZUBRSETML-UHFFFAOYSA-N 335.856 4.147 0 40 EIAB CC(C)n1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 12162109 RFPICSVUKAMLRD-ZRNYENFQSA-N 337.467 4.166 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cn3cc(Cl)ccc3n2)C1 12323490 HYYJOSJJVPAYDW-UGSOOPFHSA-N 331.847 4.029 0 40 EIAB c1ccc2c(Nc3ccc(-n4cnc5ccccc54)nc3)ncnc2c1 12523200 ZCCNISBCBYGKFN-UHFFFAOYSA-N 338.374 4.107 0 40 EIAB c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1 12547828 SVKWLTSAJZQGAQ-UHFFFAOYSA-N 338.414 4.483 0 40 EIAB COc1ccc(CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 12767553 VAGYQHOBTHOTBB-UHFFFAOYSA-N 333.815 4.155 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCC3(c4ccccc4)CC3)cc2c1 12923191 HRTXSTDOTPYKGI-UHFFFAOYSA-N 330.431 4.313 0 40 EIAB O=C(Nc1ccccc1C(=O)O)c1ccc(SC(F)(F)F)cc1 13261461 SECKWVXVFOVUIC-UHFFFAOYSA-N 341.310 4.249 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(Cl)cc1Cl 13265240 CDCYSYACVZEUQD-SUMWQHHRSA-N 334.250 4.354 0 40 EIAB O=C(CCSCc1ccccc1)NCCSC1CCCCC1 13688043 FFVHNRZWSDRTCX-UHFFFAOYSA-N 337.554 4.492 0 40 EIAB CCc1ccc2[nH]c(=O)c(CNCc3ccccc3Cl)cc2c1 13999254 AWWPWWITKSSFBA-UHFFFAOYSA-N 326.827 4.034 0 40 EIAB Cc1ccc(SCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14115477 CFMNRKAEAUEZRG-UHFFFAOYSA-N 339.416 4.141 0 40 EIAB CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 14819388 VJDRSTHNWHVTNQ-UHFFFAOYSA-N 338.359 4.086 0 40 EIAB biogenic,in-vitro C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 20029855 QHTLHNXFERGMAZ-JTQLQIEISA-N 330.236 4.033 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1OC 22531465 NRPNENUNVUUFIY-ZIAGYGMSSA-N 345.464 4.062 0 40 EIAB O=C(CCc1cccnc1)N1CCc2sccc2[C@H]1c1ccccc1 25899825 ZLQHHHKKVDIPAP-OAQYLSRUSA-N 348.471 4.250 0 40 EIAB CC(=O)c1s/c(=N\c2ccc(C)cc2)n(Cc2cccnc2)c1C 27526545 PUDRPSGEICIMAD-VZCXRCSSSA-N 337.448 4.045 0 40 EIAB CC(C)CNc1nnc(SCc2cccc3cccnc23)s1 29899950 CSRXUSYLHUSZPJ-UHFFFAOYSA-N 330.482 4.447 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182704 KHNHTFMVZRQCPT-LDYMZIIASA-N 326.343 4.423 0 40 EIAB CCc1ccc([C@@H](Nc2ncnc3c2cnn3C)c2cccs2)cc1 32888231 YEKJBULXDJRKCE-QGZVFWFLSA-N 349.463 4.189 0 40 EIAB CCCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 36561596 FZASVNUCUOOVBE-UHFFFAOYSA-N 327.424 4.193 0 40 EIAB CC(C)c1nnc(NC(=O)N2CCC(c3ccccc3)CC2)s1 40104037 XDWOVWCVKPPFJE-UHFFFAOYSA-N 330.457 4.073 0 40 EIAB C[C@H](CNC(=O)c1occc1-c1ccccc1)N(C)c1ccccc1 40108018 AJJKKDHCJDHNRI-MRXNPFEDSA-N 334.419 4.201 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC=CCC3)CC2)c(C)c1 40510908 WKGJWKYYGSXNGU-SFHVURJKSA-N 325.452 4.081 0 40 EIAB COCCn1c(SCc2ccc(F)cc2Cl)nc(C)c1C 46028913 HVHQWYCSGZMZML-UHFFFAOYSA-N 328.840 4.231 0 40 EIAB O=C(CNCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 57462818 JPBKNUDDZYTAGR-UHFFFAOYSA-N 332.403 4.207 0 40 EIAB COc1cccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1 58121252 ZUWPLZASFOFJAN-UHFFFAOYSA-N 337.419 4.050 0 40 EIAB Cn1cccc1CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1CC1 62018306 XIFXMXAPQLUDPT-UHFFFAOYSA-N 346.858 4.027 0 40 EIAB CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)COC3)n(C(C)(C)C)n1 64394988 KRDOUWPUCGJHHC-UHFFFAOYSA-N 341.455 4.218 0 40 EIAB COc1cccc(Oc2ccc(N[C@H](C)c3nnc(C)o3)cc2)c1 71902539 CMNHOTKRDLRXAV-GFCCVEGCSA-N 325.368 4.352 0 40 EIAB Cc1ncsc1CCSc1nnc(C(C)C)n1Cc1ccco1 71915106 JMUFJLZXUIZTOO-UHFFFAOYSA-N 348.497 4.143 0 40 EIAB COc1ccc(N(Cc2cccs2)C(=O)c2scnc2C)cc1 71971362 UUGDAWPJJCHTKQ-UHFFFAOYSA-N 344.461 4.369 0 40 EIAB CC(C)N1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214519 WKYPAAKYRJTRRY-INIZCTEOSA-N 333.476 4.388 0 40 EIAB COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cc1 72271459 TXDBEYKKWRXSBO-WMLDXEAASA-N 344.480 4.317 0 40 EIAB O=C(Nc1ccc(F)cc1)N(Cc1ccccc1F)C1CCOCC1 72306057 SUMKLZTVHKJCAQ-UHFFFAOYSA-N 346.377 4.178 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 72331196 GOPULRGEQCOVQW-UHFFFAOYSA-N 336.479 4.255 0 40 EIAB CS[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 78821140 CWSSUFZAKKPWPY-XHDPSFHLSA-N 349.887 4.145 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 84169648 DKSYAJUVKQTBBG-UHFFFAOYSA-N 339.483 4.306 0 40 EIAB Cc1ccccc1C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 85474533 USRGNWYQJJCNLC-KRWDZBQOSA-N 343.473 4.130 0 40 EIAB O=C(Nc1ccccc1F)N1CCC(CSc2ccccn2)CC1 85557667 XFQKJBWFFGALON-UHFFFAOYSA-N 345.443 4.257 0 40 EIAB CN(Cc1nccs1)C(=O)CCCc1cc(Cl)sc1Cl 87355574 IVZAUGMFLUUNCE-UHFFFAOYSA-N 349.308 4.493 0 40 EIAB CCOc1cc(CNc2ccccc2N(C)C)c2c(c1)C[C@@H](C)O2 89991021 VLMRDLLOQMJDBW-CQSZACIVSA-N 326.440 4.087 0 40 EIAB Cc1nc([C@H](N[C@H]2CCSc3ccccc32)c2ccccc2)n[nH]1 95421724 YAKJTIOGGFUHPK-FUHWJXTLSA-N 336.464 4.029 0 40 EIAB C[C@@H](Cc1ccccc1)CN1CCC(C(=O)Nc2ccccc2)CC1 96013591 HJTWQVVMOKSKTB-SFHVURJKSA-N 336.479 4.216 0 40 EIAB CCc1ccc(C2=C[C@@H](c3ccc(SC)cc3)n3nnnc3N2)cc1 101971588 HRUNDZNHLPHCES-SFHVURJKSA-N 349.463 4.013 0 40 EIAB Cc1ccc2c(CN[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2c1C 103253617 WDMNAJCSKSYSCM-PASDCYSWSA-N 325.452 4.324 0 40 EIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc([C@H]3CCCO3)n2)cc1 136490490 SXXMXLYOCWCRLF-FZKQIMNGSA-N 344.480 4.119 0 40 EIAB COc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 187959028 CYIDFRBXVGTCJN-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211501951 FJUACBWQODPXNA-GDNBJRDFSA-N 327.361 4.054 0 40 EIAB CCSc1ccccc1C(=O)NCCCc1cccc(OC)c1 219646102 ORPLYQUJTDIBPT-UHFFFAOYSA-N 329.465 4.170 0 40 EIAB CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 222696563 CNHMEWATUQJNRW-LJQANCHMSA-N 341.451 4.267 0 40 EIAB Cc1ccccc1Nc1ccc(NC(=S)NCc2ccco2)cn1 223903192 HCRSVMPOXAFDHE-UHFFFAOYSA-N 338.436 4.213 0 40 EIAB O=C(NCC1=CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 224336029 JWIKLSXKXWRAKH-UHFFFAOYSA-N 346.474 4.480 0 40 EIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C)c(C)c1 225785220 LYIVJJXCNPJTAY-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n1 257261989 LJOBWAGTQBWDSD-MRXNPFEDSA-N 337.398 4.174 0 40 EIAB CN(C)c1cccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)c1 390831017 PCNFEQHOUCVGSU-QGZVFWFLSA-N 334.529 4.279 0 40 EIAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1cncc(C2CC2)c1 575605994 GQYVRMOTFNHERB-UHFFFAOYSA-N 348.368 4.227 0 40 EIAB Cc1ccc(-c2noc([C@H](c3ccccc3)N3CCCCC3=O)n2)cc1 585133662 PTONVTMACLPJGL-IBGZPJMESA-N 347.418 4.147 0 40 EIAB C[C@@](NC(=O)NCc1cccc(C(F)F)c1)(C1CC1)C(F)(F)F 1119867449 GLWJDPSCXFDAFJ-CQSZACIVSA-N 336.304 4.154 0 40 EIAB Fc1ccc(-n2ncc3c(SC4CCCCC4)ncnc32)cc1 82043 JAUJUQPKNSIGAW-UHFFFAOYSA-N 328.416 4.379 0 40 EIAB Cc1ccc2nc(NC(=O)COc3c(C)cccc3C)sc2c1 360999 MJHVHPZVTKZDML-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1OC 417723 ACWCNWQAZUIUNU-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1)CO3 538756 MRPVTDSSCUZVDY-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB Cc1ccc(Cl)cc1N1COc2ccc3c(C)cc(=O)oc3c2C1 2113481 YUKURUZRXMIKAE-UHFFFAOYSA-N 341.794 4.420 0 40 EIAB biogenic O=C(O)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1 2566061 KWIBJZFUZRSKCA-UHFFFAOYSA-N 348.398 4.472 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2CCCCC2)c1C 3440900 USBNGFLZTLZBGJ-ZDUSSCGKSA-N 337.485 4.445 0 40 EIAB Fc1ccccc1-c1n[nH]c(SCCOc2ccc(Cl)cc2)n1 4877867 VGTPKNMBUVRREL-UHFFFAOYSA-N 349.818 4.435 0 40 EIAB O=c1c2ccccc2ncn1CCOc1ccccc1-c1ccccc1 5262007 FARJEKNNKAZZES-UHFFFAOYSA-N 342.398 4.143 0 40 EIAB O=C1O[C@@H](CC(=O)c2ccc(Cl)c(Cl)c2)C(Cl)=C1Cl 5890827 HFXAUIWUJBKNPR-VIFPVBQESA-N 339.989 4.181 0 40 EIAB O=C1C(=O)N(Cc2ccccc2Cl)c2c1cccc2C(F)(F)F 6661300 XRUWFMALLQWMDV-UHFFFAOYSA-N 339.700 4.088 0 40 EIAB Cc1ccc(C)c(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 7381022 ZWIQJQWRMLIOQT-UHFFFAOYSA-N 327.472 4.344 0 40 EIAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 7677604 MBPPYZQARSTOKL-CYBMUJFWSA-N 348.431 4.112 0 40 EIAB C[C@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 8104010 LSMMMBSAGFGWGS-NSHDSACASA-N 335.270 4.497 0 40 EIAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)Cc1ccccc1 8471208 CUZBAPZIYQXSNI-JCVDRHSJSA-N 341.410 4.064 0 40 EIAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC(C)C)cc1 9366084 VCZXLDVLOTXGLK-UHFFFAOYSA-N 336.435 4.301 0 40 EIAB CC[C@@H](NC(=O)COc1ccccc1)c1ccc(Br)cc1 12786071 HQVKSMFGDYZAKC-MRXNPFEDSA-N 348.240 4.095 0 40 EIAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12793404 XODSNSAZLQNIBO-BLRBJFNZSA-N 349.430 4.143 0 40 EIAB COc1cccc(-c2nc(N3CCCC[C@H]3C)c3ccccc3n2)c1O 13127692 WNPXRNJEBMRJGV-CQSZACIVSA-N 349.434 4.390 0 40 EIAB CCOC(=O)Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 13207624 NTKXSKLSRLWJKX-UHFFFAOYSA-N 336.416 4.322 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 14180150 DJVKTDDORGVGFE-MRXNPFEDSA-N 337.250 4.026 0 40 EIAB CC(=O)c1csc(NC(=O)c2ccccc2Oc2ccccc2)n1 14199611 LPZRTIHJPCCMRC-UHFFFAOYSA-N 338.388 4.390 0 40 EIAB CCc1ccc2c(c1)Sc1ccccc1C[C@@H]2N1CCN(C)CC1 19802417 MATADNMOHBGGPF-IBGZPJMESA-N 338.520 4.245 0 40 EIAB C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1cc2ccccc2o1 21933546 MKZKHJMTLGEMKH-CQSZACIVSA-N 331.375 4.110 0 40 EIAB Cc1cccc(C)c1NCC(=O)Nc1ccccc1Br 22894682 ONMFWAGXIPTNHM-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB COc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222508 VTMURGWGJZTGJW-OAQYLSRUSA-N 347.462 4.107 0 40 EIAB CCc1nonc1NC(=O)c1sc2cccc(Cl)c2c1Cl 27663378 SGFYGDWDMUSJCU-UHFFFAOYSA-N 342.207 4.406 0 40 EIAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 28758301 ZEKBNMFDVLSPAC-NSHDSACASA-N 338.329 4.153 0 40 EIAB Cc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)o1 31497180 YZNMAMZKMHYYNC-HNNXBMFYSA-N 349.814 4.054 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 32777641 QLLGRFSREQQRPP-BMGDILEWSA-N 334.891 4.172 0 40 EIAB Cc1nc2ccccc2nc1COC(=O)c1c(C)[nH]c2ccccc12 32830241 KYGALQMKUPADPI-UHFFFAOYSA-N 331.375 4.085 0 40 EIAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(F)cc1 32924715 RZIYNNKJCWYRHF-UHFFFAOYSA-N 340.329 4.082 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(C)ccc2OC=C1 33321281 SESUZYZMPLWNRG-UHFFFAOYSA-N 349.386 4.100 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)cc2)c1 36358570 XFJUFGJYKJYDLG-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccc(F)cc2F)C1 36366301 YIKPRLBKOQHVEB-GFCCVEGCSA-N 343.308 4.413 0 40 EIAB COc1ccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1 40105476 HMAUNWMDSHOUFG-NSHDSACASA-N 336.338 4.179 0 40 EIAB O=C(Nc1ccon1)c1cc2sccc2n1Cc1ccccc1F 44893242 BOPPABSSXRPJLH-UHFFFAOYSA-N 341.367 4.131 0 40 EIAB O=[S@](CCSC1=Nc2ccccc2CS1)c1ccccc1 47222239 LSBWGMOUBSSEFE-NRFANRHFSA-N 333.503 4.462 0 40 EIAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccsc1 55753149 WNYBHOWESLUAKJ-UHFFFAOYSA-N 342.464 4.181 0 40 EIAB O=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)n1cccc1 56907486 DCVXDMZWXNVZEK-QGZVFWFLSA-N 333.416 4.326 0 40 EIAB C[C@H](CCc1ccco1)NC(=O)c1cccc2c3c([nH]c12)CCCC3 58357658 GDLVQUKWBZGGJW-CQSZACIVSA-N 336.435 4.391 0 40 EIAB CCCCS[C@@H](C)C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 69774015 ZQOVXFKVBOQLFL-STQMWFEESA-N 349.525 4.304 0 40 EIAB C[C@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccccc2)cs1 71885980 UBADOVFQUCSBKD-ZDUSSCGKSA-N 341.436 4.306 0 40 EIAB C[C@](NC(=O)c1cc2ccccc2c(Cl)n1)(C1CC1)C(F)(F)F 72307904 RXZXNZMVVFVXMO-HNNXBMFYSA-N 342.748 4.349 0 40 EIAB CC1CCN(c2ccc(C(=O)N3c4ccccc4CC[C@H]3C)cn2)CC1 75091986 MCUIOVPJIHRCDG-QGZVFWFLSA-N 349.478 4.299 0 40 EIAB Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C(C)C)c1C 75104718 ITTVLDVWFNNCJM-HXUWFJFHSA-N 340.467 4.354 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@@H]2CCCC[C@@H]21 75108211 VIMWLXBDGDXBMK-ZWKOTPCHSA-N 346.471 4.045 0 40 EIAB CC(C)C[C@@H](CCO)CNC(=O)c1ccccc1Cc1ccccc1 78998297 GPKPYDYAFZQEHP-LJQANCHMSA-N 339.479 4.052 0 40 EIAB Cc1noc(C)c1NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 84025561 VZOZGXJOTQOLJU-UHFFFAOYSA-N 340.383 4.081 0 40 EIAB CC(C)(C)C[C@@H]1CCCN1c1cc(-c2ccccc2)nc2ncnn12 84169782 MVIHPUYCJATUBL-INIZCTEOSA-N 335.455 4.196 0 40 EIAB Cc1ccsc1C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 84251303 OVOKBOPRGRQTEZ-UHFFFAOYSA-N 348.855 4.198 0 40 EIAB Fc1ccc(NCc2ccc(I)cc2)cc1 88317942 IAYKGCPQHDFPBN-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB C[C@H](O)C[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 89894873 WIZQZZDDCSAAPU-QFBILLFUSA-N 349.430 4.231 0 40 EIAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl 95417740 RADUDUOUFXCBLR-NHYWBVRUSA-N 338.234 4.235 0 40 EIAB c1ccc2c(c1)SCC[C@H]2NCc1ccc(Cn2ccnc2)cc1 95420155 ADZVKHKUAOJZKV-LJQANCHMSA-N 335.476 4.258 0 40 EIAB Cc1cc(N[C@@H](C)CCCCN(C)C)ccc1OCC(F)(F)F 95945474 OIXJJQWLENGPLZ-AWEZNQCLSA-N 332.410 4.468 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C)n1C 96146278 HHGBCOYAAIDODT-UHFFFAOYSA-N 345.446 4.332 0 40 EIAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccccc1Cl 96287840 NTXHRJAYPLDINI-BZUAXINKSA-N 339.822 4.413 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OC)c(C)c1 96417993 CHRUXVYPTWJIAP-QGZVFWFLSA-N 327.428 4.404 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 102159470 AIEJHOKPOVBUOQ-VHDGCEQUSA-N 338.469 4.217 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)C2)cc1 206884847 OCSXGQWLJYKGIH-BOLBYERCSA-N 325.452 4.004 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(C(C)C)cc1 218962254 BVADBYATKPPPGK-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1cccc2ccccc12 223550430 OFDINGINWWPZOG-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 223716618 MBWMQFLWPVZRMS-UHFFFAOYSA-N 347.480 4.029 0 40 EIAB COc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)cc1Cl 226765572 KPHBGYDCGAEUMN-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB Fc1ccc(C2(c3noc(-c4cccnc4)n3)CCCC2)c(F)c1 583532219 QJKAXWMXNJQNOH-UHFFFAOYSA-N 327.334 4.270 0 40 EIAB Clc1ccc(OCCCOc2cccc(-c3nnco3)c2)cc1 642117189 MDGDYJICZNDJNQ-UHFFFAOYSA-N 330.771 4.238 0 40 EIAB O=C(NCC1([C@H]2CCCCO2)CCC1)N(CC1CCCCC1)C1CC1 1565147543 IBYUQPOMFIOQRI-LJQANCHMSA-N 348.531 4.480 0 40 EIAB COc1cc2ccccc2cc1CNC(C)(C)[C@@H](O)c1ccccc1 1621494480 UYIMLZZIWMSICU-NRFANRHFSA-N 335.447 4.450 0 40 EIAB O=C(CC(c1ccccc1)c1ccccc1)n1nnc2ccccc21 183845 CEAXHPRWDYZTRM-UHFFFAOYSA-N 327.387 4.294 0 40 EIAB CC(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 202333 MHTZDYSSLULGFG-WOJGMQOQSA-N 338.382 4.042 0 40 EIAB Cc1ccc2nc(-c3cccc(NC(=O)c4cccnc4)c3)oc2c1 271282 YJSFSWSKDLUYCS-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CCn1c(SCC(=O)c2ccc(OC)cc2)nc2ccccc21 417171 XESSJMSUHVNYER-UHFFFAOYSA-N 326.421 4.040 0 40 EIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 2631456 CRLOYGSODAVDFZ-AWEZNQCLSA-N 346.496 4.132 0 40 EIAB CCOc1ccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1 3322669 OGDWYVKRUCMQOP-LFIBNONCSA-N 327.767 4.083 0 40 EIAB CCN(c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)C(C)C 3362785 ZVTHGKUWBGVRSK-UHFFFAOYSA-N 346.496 4.339 0 40 EIAB CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=N)oc2c1 3897513 OPJVECATCLMTEH-UHFFFAOYSA-N 332.407 4.302 0 40 EIAB O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(Cl)cc1 3911955 IOYYOKLOXSRHSY-UHFFFAOYSA-N 343.839 4.461 0 40 EIAB CC[C@@H](C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079415 ZQHWPIUUVOLMER-SSDOTTSWSA-N 345.852 4.474 0 40 EIAB Fc1cccc(CSc2ccc3nnc(-c4ccccc4)n3n2)c1 4164214 AOXVGGGZTIYYJV-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB O[C@@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 4792093 UXNCENBVWCDNFI-PKTZIBPZSA-N 345.442 4.105 0 40 EIAB Cc1ccc2oc(-c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)nc2c1 4826060 AMDOZETXHDUAEZ-UHFFFAOYSA-N 334.375 4.055 0 40 EIAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C 4994995 NDBWXJWPQHNXFI-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc(F)cc1 5458557 DKJOKPSKIWSCQR-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB Cc1cc2oc(-c3ccco3)c(OCCOC(C)C)c(=O)c2cc1C 5580550 VAHKSRGGNUJXNG-UHFFFAOYSA-N 342.391 4.474 0 40 EIAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)cc1 5604637 ZXOBOPDUTZXSSE-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(Br)cc1F 6355808 ZMRVLOWYMPHBRF-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB Cc1cc(C)n2nc(S[C@@H](C)c3nc4ccccc4s3)nc2n1 6589758 UKEVWSDOXZPGFV-NSHDSACASA-N 341.465 4.204 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(C(F)(F)F)c1 6628347 YAPXIVOFLIOHQY-UHFFFAOYSA-N 337.297 4.119 0 40 EIAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 6707291 VEULLLNZXWXERE-GUYCJALGSA-N 342.395 4.100 0 40 EIAB COc1cccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 7052984 KUYXQDJGHAEGSA-UHFFFAOYSA-N 333.453 4.038 0 40 EIAB O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1 7595838 UJGDEPKFMPNIPJ-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB CCc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 8715090 BMGVKJVECSFAHY-UHFFFAOYSA-N 336.420 4.091 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 9115547 FZLTUWIUQNVJIF-ZDUSSCGKSA-N 325.437 4.299 0 40 EIAB Cc1ccccc1OCC(=O)Nc1nc2c(C)ccc(C)c2s1 9141245 SBTBYOMBNMMOHI-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10260366 BBNKFWDIAMLEOO-OAHLLOKOSA-N 334.423 4.283 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccccc2)s1 11905909 YDAVUCBMTMIDMY-UHFFFAOYSA-N 342.489 4.081 0 40 EIAB Cc1cc(SCC(=O)NCc2ccc(F)cc2)nc2ccccc12 12648460 QHWFMUGDGREZFH-UHFFFAOYSA-N 340.423 4.091 0 40 EIAB CC(C)[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 12797701 UYKZENZPHNDGRF-YWZLYKJASA-N 342.508 4.181 0 40 EIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 13947819 KGIMXFFBIGYYLS-CQSZACIVSA-N 329.465 4.124 0 40 EIAB COc1ccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)cc1 15829215 BYULZUWAAGRLRX-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 18173854 SJKVVAXYNYNDLN-IBGZPJMESA-N 333.391 4.001 0 40 EIAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C3CCCC3)CC2)C1 19712780 UEFJTRIYPKOSIE-FPOVZHCZSA-N 342.527 4.293 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)N[C@H]1CCCC[C@H]1C 20428220 QXNLYXJKQWJCTK-CJNGLKHVSA-N 344.480 4.339 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20487957 RMTUZQRXKNDJGU-HOTGVXAUSA-N 341.451 4.463 0 40 EIAB O=C(c1ccc(F)cc1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 23384488 GMCXIRCEIITKPN-SFHVURJKSA-N 347.817 4.065 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1 24923494 ZYLZSVDSXODYIE-UHFFFAOYSA-N 334.423 4.023 0 40 EIAB Cc1ccc(S[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 24958624 XDCWDDBIHIBGOQ-CYBMUJFWSA-N 337.452 4.359 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 26295324 GPCQIZSFZDGULR-JSGCOSHPSA-N 332.341 4.088 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1 27581854 QGWYPPTWVMZQIY-HXUWFJFHSA-N 340.442 4.091 0 40 EIAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(O)c(Cl)c1 31071387 FSXWOKDEGPDJCF-UHFFFAOYSA-N 343.732 4.337 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 32609606 GIVPQWCFYGFFNK-UHFFFAOYSA-N 335.407 4.220 0 40 EIAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 32656459 OTROWJPKZNZGGX-KBXCAEBGSA-N 328.456 4.124 0 40 EIAB CC(C)c1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 32863515 ZSBXLFNXZLFFAS-UHFFFAOYSA-N 327.409 4.077 0 40 EIAB O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccsc1 32931106 BBSIUJQVKWJHPC-CQSZACIVSA-N 336.254 4.488 0 40 EIAB CCC(=O)N(c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 38883702 MSAFCEWTMBDBFQ-GHTZIAJQSA-N 336.479 4.340 0 40 EIAB in-vitro Cn1c([C@@H]2CCCCN2C(=O)c2ccccc2F)nc2ccccc21 40156265 YJXJNEPVNFNVRF-SFHVURJKSA-N 337.398 4.080 0 40 EIAB Brc1cc(-c2ccccc2)ccc1O[C@H]1CCCNC1 42774736 ABJZHIMUHXSHQZ-HNNXBMFYSA-N 332.241 4.247 0 40 EIAB COc1ccccc1CN(C)C(=O)COc1ccc(C(C)(C)C)cc1 44900690 NIIZVKPMMQEVLF-UHFFFAOYSA-N 341.451 4.030 0 40 EIAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccccc1Cl 45888948 ALGWHGHCHKWXLU-UHFFFAOYSA-N 331.828 4.401 0 40 EIAB c1ccc2c(c1)CCC[C@H]2Sc1nnc(NC[C@H]2CCCO2)s1 48273420 MIBSRCZVMLXRHG-UKRRQHHQSA-N 347.509 4.299 0 40 EIAB Cc1cc(CNc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)no1 55879569 IRMUEHUOYSYPLD-GFCCVEGCSA-N 347.846 4.263 0 40 EIAB CC(C)CNC(=O)CN(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 59985172 UDHLXOQQLOYBQM-ZDUSSCGKSA-N 342.405 4.003 0 40 EIAB CSc1nnc(CNC(C)(C)c2cccc(C(F)(F)F)c2)s1 69566457 MZANKCPECXCJFZ-UHFFFAOYSA-N 347.431 4.304 0 40 EIAB Cc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)n1 69737764 JGBWJYBLOIJBBX-UHFFFAOYSA-N 343.430 4.205 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3sc(N)nc3c2)cc1 72229810 MVVJTYVTVZDMIC-UHFFFAOYSA-N 325.437 4.428 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330179 QCCYQIORRGRRPV-UHFFFAOYSA-N 349.789 4.398 0 40 EIAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)s1 77116599 JTBCGGDZXAFUKW-HNNXBMFYSA-N 345.851 4.408 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CC1(Cl)Cl 88262214 PGPWQBRICXVEEX-GJZGRUSLSA-N 338.209 4.225 0 40 EIAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCc2ccccc2C1 95977137 SUMUJGQKIBZOFT-UHFFFAOYSA-N 342.349 4.091 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Oc2ccccc2Cl)o1 96183804 ZTSUUENUGJMONR-UHFFFAOYSA-N 345.786 4.328 0 40 EIAB C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 96477587 XKJGTGKOJDMYJT-KBPBESRZSA-N 348.487 4.260 0 40 EIAB COc1ccc(CNc2ccncc2F)cc1OCc1ccccc1 97101124 YRPVFUIFMOGERM-UHFFFAOYSA-N 338.382 4.420 0 40 EIAB CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 102665623 ZJEKYKPJCRBHNZ-AWEZNQCLSA-N 346.843 4.325 0 40 EIAB Cc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1Cl 216756940 KGAUGRSIHKVRGR-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB O=C(O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)cc1O 216933915 VODUOTGLIAFASA-UHFFFAOYSA-N 331.126 4.115 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 218972320 CPIKSZUDJHFGKN-MAUKXSAKSA-N 339.435 4.181 0 40 EIAB CC(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 223737911 HUJQCEFSQBXGRW-UHFFFAOYSA-N 339.460 4.442 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C)cc1C 225580092 RVUMDRXPASKVEA-QGZVFWFLSA-N 333.545 4.244 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225617869 ZYPRUYQWFFCSPR-CYBMUJFWSA-N 332.241 4.177 0 40 EIAB Cc1ccnc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225661867 FMFXOJTWXXXRQZ-HNNXBMFYSA-N 327.497 4.433 0 40 EIAB CSc1ccccc1NC(=O)c1snnc1-c1ccccc1 225760613 IOBFUJHXHGBLFG-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB CCOc1ccccc1NC(=S)NC1(c2ccccn2)CCCC1 225847860 TVTGPCYJHKJHKL-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB Cc1nc(Nc2cccc(C3CCN(CC4CC4)CC3)n2)sc1C 257240799 HVGLYRMFZCCHQK-UHFFFAOYSA-N 342.512 4.488 0 40 EIAB CC(C)N1CCC[C@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 257291625 QHXCZYAGGFTMRH-KRWDZBQOSA-N 343.471 4.286 0 40 EIAB COc1ccccc1CC(=O)N1CCCC[C@@H]1CSC(C)(C)C 390832318 YPDKLZFQQMOWGU-MRXNPFEDSA-N 335.513 4.151 0 40 EIAB Cc1c(Cl)ccc2ccc(NC(=O)c3cn(C)nc3C3CC3)nc12 585085361 LLJDAIPJFWBKQK-UHFFFAOYSA-N 340.814 4.060 0 40 EIAB Fc1ccc(OCC2CCOCC2)c(-c2ccc3n[nH]cc3c2)c1 630488829 XMYHZRINFWDRRL-UHFFFAOYSA-N 326.371 4.174 0 40 EIAB CS(=O)(=O)Cc1ccccc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 1615623152 ZNKRJHRNKMMWRC-TZMCWYRMSA-N 349.418 4.012 0 40 EIAB O=C(NCc1cc(-c2ccco2)cs1)C1(c2ccc(F)cc2)CC1 1775968301 BIKRNNJEVLMOIA-UHFFFAOYSA-N 341.407 4.495 0 40 EIAB Cc1ccc(NC(=O)c2ccc(C)o2)c(NC(=O)c2ccc(C)o2)c1 483847 YUSPNFOXJYKTKK-UHFFFAOYSA-N 338.363 4.302 0 40 EIAB Cc1ccc(C(=O)n2c(=S)nc3sc4ccccc4n32)cc1 550545 BYHHYJWGZWUAIG-UHFFFAOYSA-N 325.418 4.077 0 40 EIAB in-vitro Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1C 1369687 FOZXPCHROMNVJF-ROUUACIJSA-N 343.540 4.138 0 40 EIAB C[C@H]1CCc2onc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)c2C1 2803806 PVPDQUMINVSTKV-VIFPVBQESA-N 347.321 4.118 0 40 EIAB FC(F)(F)c1cnc(-c2noc(-c3ccccc3)n2)c(Cl)c1 3134270 MWSLDZPHPBEWPD-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3234959 GJBBZODTDARGOO-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1 4166961 LQKTWPNYZAXPQJ-UHFFFAOYSA-N 342.851 4.436 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c(OC)c1 4330936 YHHFIFCGYULQMF-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CC(C)(C)C)c1 4585372 MVDYPPFLOSCNSE-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(Cl)c1 4785235 VLUOMCLCESUUKB-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Cl 4813774 HRWMFWOIFABCIF-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4887117 YTEOUZKSZOTHEC-XOTNPZNGSA-N 346.511 4.164 0 40 EIAB O=C(O)c1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 5996934 CWZCAZOTMOHRJJ-UHFFFAOYSA-N 345.811 4.116 0 40 EIAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 6010715 DXFAUQCOJYYQDW-CQSZACIVSA-N 349.386 4.017 0 40 EIAB O=C1C[C@@H]2Sc3ccccc3N=C2N1Cc1ccc(Cl)cc1 6243609 WHESWBBCMQMRIR-HNNXBMFYSA-N 328.824 4.277 0 40 EIAB Cc1cc(NC(=O)Cn2cc(C=O)c3ccccc32)ccc1Cl 6626607 ZMQRPMFWARBEBO-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB Cc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 6942289 SVNQRJWXQYPOCL-UHFFFAOYSA-N 339.826 4.011 0 40 EIAB aggregator COc1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 6973423 NYZYMYUIVODGTL-UHFFFAOYSA-N 327.387 4.129 0 40 EIAB C[C@H](NS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1 7305269 GZPSWEVHBGLWNB-JTQLQIEISA-N 330.236 4.033 0 40 EIAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccco2)cc1 7884065 SIFKGLAYAALSPS-LJQANCHMSA-N 334.375 4.449 0 40 EIAB COc1cc(NC(=O)c2c(C)nc3ccccc3c2C)cc(OC)c1 7920032 AHZLTJTVLCSURZ-UHFFFAOYSA-N 336.391 4.121 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 8108605 SOIZXXKZEWRCSI-OAHLLOKOSA-N 325.408 4.419 0 40 EIAB CC[C@H](C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 9420289 QYUPMGZUCAGSGF-LPHOPBHVSA-N 333.435 4.420 0 40 EIAB CCOc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 9668211 FZZHKXGASXLQSS-UHFFFAOYSA-N 338.432 4.385 0 40 EIAB Cc1cc(CNC(=O)c2csc(-c3cccs3)n2)ccc1F 10552309 QQHJUGKIIGATSM-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB CCOC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 12137308 ZDMRQJFZYWYYEF-UHFFFAOYSA-N 349.224 4.247 0 40 EIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccn2)n1 12567966 YOCNCIRIFFIOGK-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(F)cc1 12692894 FFXLYHICQVUDGS-SECBINFHSA-N 340.167 4.218 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2c1C 12781692 FQGBGKNYRCPXIP-UHFFFAOYSA-N 334.423 4.032 0 40 EIAB Cc1ccccc1CNC(=O)c1cc2c(C)nn(CC(C)C)c2s1 12942396 LFIXWKOKSQSKOE-UHFFFAOYSA-N 341.480 4.301 0 40 EIAB C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1Cl 13040051 HJXGQWYQZOKGBP-GFCCVEGCSA-N 349.261 4.233 0 40 EIAB COc1cc(/C=C/C(=O)NC2CCCCCC2)cc(Cl)c1OC 13140951 FZUJUUHFHKEBOT-MDZDMXLPSA-N 337.847 4.209 0 40 EIAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(C(F)(F)F)cc1 14898790 UKVGSTUJCGFAFM-UHFFFAOYSA-N 345.324 4.072 0 40 EIAB O=c1oc2cc(Oc3ncnc4sccc34)ccc2c2c1CCC2 15163394 PRXHQPCNHIXAAQ-UHFFFAOYSA-N 336.372 4.079 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)cc1 15541193 ZPOFHRBMZIROFN-HBYKMFCXSA-N 325.383 4.211 0 40 EIAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)c(Cl)c1 17449679 OFCNTNGJEIUGGD-UHFFFAOYSA-N 338.791 4.059 0 40 EIAB Cc1ccccc1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 19360220 NTJSXLFPKFFCFG-UHFFFAOYSA-N 348.412 4.332 0 40 EIAB COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1OC(F)F 22759213 OSGLSARAMBMNJH-UHFFFAOYSA-N 326.274 4.080 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1 23743335 KCKFPJDLAORSAE-CQSZACIVSA-N 349.883 4.157 0 40 EIAB CCCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 25136475 GTKDIWHIJVYNGH-UHFFFAOYSA-N 337.876 4.294 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(C2CCCC2)n1 28240631 CCSJGMOAWRESHS-UHFFFAOYSA-N 336.395 4.214 0 40 EIAB OCCCc1nc2ccccc2n1CCOc1cccc2ccccc12 31903307 VTOXLGCCSALCBZ-UHFFFAOYSA-N 346.430 4.193 0 40 EIAB CCc1ccc([C@H](Nc2ncnc3c2cnn3C)c2cccs2)cc1 32888232 YEKJBULXDJRKCE-KRWDZBQOSA-N 349.463 4.189 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 36620317 KGOSHLLNYUTNHP-IBGZPJMESA-N 347.455 4.475 0 40 EIAB Cc1ccc(C(=O)C(=O)Nc2cccnc2Oc2ccccc2)cc1 36837285 IPZJEUUUIFZEGM-UHFFFAOYSA-N 332.359 4.004 0 40 EIAB CC(C)(C)c1cc(=O)n2c3ccccc3n(Cc3cccc(F)c3)c2n1 40485145 BBTXSPKKNMNLPM-UHFFFAOYSA-N 349.409 4.134 0 40 EIAB C[C@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 43769461 UJVLDDZCTMKXJK-CJBPLUAASA-N 340.463 4.370 0 40 EIAB in-vitro Cc1n[nH]c2c1[C@H](c1cccc(C(F)(F)F)c1)SCC(O)=N2 44903452 BVYZILSBCUAWGF-LBPRGKRZSA-N 327.331 4.161 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1 48166771 BPDDQZBPJFJJCA-UHFFFAOYSA-N 338.407 4.027 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)c(Br)c1 48304243 SCUJRTSSZBLQSU-NSHDSACASA-N 334.217 4.035 0 40 EIAB O=C(Nc1ccc(Sc2nncs2)cc1)c1c(F)cccc1F 58405451 XGGLUEYDVGAWJC-UHFFFAOYSA-N 349.387 4.220 0 40 EIAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)nc1)C1CCCCC1 61720806 SQAUOGZFIHFYJX-UHFFFAOYSA-N 339.226 4.093 0 40 EIAB O=C(Cc1cccs1)Nc1ccnn1[C@H]1CCCc2ccccc21 65727532 TYGSUBDQNIQJEQ-KRWDZBQOSA-N 337.448 4.052 0 40 EIAB Cc1csc(C2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)n1 69615976 CVGUJAMIQYTJHD-ZDUSSCGKSA-N 346.471 4.490 0 40 EIAB Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccn2)cs1 69774885 XAYYWUNOBUBDMU-CQSZACIVSA-N 337.448 4.250 0 40 EIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1-n1cccn1 70038879 NZJZXIBRJZMZDY-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3cnn(C)c3)co2)c(C)c1 71797230 ABNQKUFRTDQNAQ-IBGZPJMESA-N 336.439 4.029 0 40 EIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)NC1CCC(O)CC1 71854034 WHYJUQAJIRELCW-UHFFFAOYSA-N 336.501 4.311 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2ccccc2)c1 71926651 ZJNKXWDMHIWCJE-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB Brc1csc2c(I)csc12 72188034 NOXJANNYZRUSOQ-UHFFFAOYSA-N 345.024 4.330 0 40 EIAB CC(C)n1c([C@@H]2CCCN(C(=O)C3CCC3)C2)nc2ccccc21 72283726 ZGXLXVOWEUWABE-MRXNPFEDSA-N 325.456 4.123 0 40 EIAB CCCCO[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C 72311072 LDNZDFORIZAXHW-SJORKVTESA-N 343.471 4.152 0 40 EIAB CC(C)n1cc(CCC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 79189294 HPBCDTHLHNPLFF-QGZVFWFLSA-N 342.483 4.229 0 40 EIAB biogenic CC(=O)Nc1cccc(NC(=O)c2nc(Cl)sc2C(C)C)c1 95475495 GKOUSVCDVFRWOV-UHFFFAOYSA-N 337.832 4.131 0 40 EIAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(OC(F)F)c1 96404447 MALOSUVOIPQDQK-SAHAZLINSA-N 328.355 4.437 0 40 EIAB COc1cc(N[C@H](C)c2cn(C(C)(C)C)nc2C)ccc1NC(C)=O 97045628 YOEVXJNDACUIDF-GFCCVEGCSA-N 344.459 4.087 0 40 EIAB CC1(C)CC(=O)C(C(=S)Nc2cccc(C(F)(F)F)c2)C(=O)C1 100684085 LMZKMXXVZLXKOW-UHFFFAOYSA-N 343.370 4.019 0 40 EIAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CC=C(c2ccc(O)cc2)CC1 107334921 UBRNZKWJOZKRLC-ZYSHUDEJSA-N 340.467 4.017 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(F)cc3)N21 222642738 UTUDEFWKRHLGRB-USXIJHARSA-N 327.428 4.200 0 40 EIAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 222961446 YXWNRGRPIJEAJX-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1C 224103406 UHNSOACCADLDPM-UHFFFAOYSA-N 341.451 4.359 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 224282862 KNMXBUVQSFHYTK-QGZVFWFLSA-N 336.479 4.336 0 40 EIAB Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)c(Cl)c1 225004946 SDFBZGPFRWCZEK-HNNXBMFYSA-N 342.870 4.220 0 40 EIAB CC1(C)CC(NC(=O)c2cc(Cl)ccc2Cl)CC(C)(C)N1 382705 PDOFPQBUOQXZLC-UHFFFAOYSA-N 329.271 4.032 0 40 EIAB CNC(=O)CSc1nc(C2CCCCC2)nc2sc(C)c(C)c12 410613 FZPOQNRIVHCRTG-UHFFFAOYSA-N 349.525 4.194 0 40 EIAB CC(=O)Oc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1 813370 MLGKQOKPOVXRJE-UHFFFAOYSA-N 326.377 4.185 0 40 EIAB Cc1cccc(-c2nnc(N(C(=O)C3CC3)C3CCCC3)s2)c1 1345382 NKFHWTOKYQPIGI-UHFFFAOYSA-N 327.453 4.199 0 40 EIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 1370447 XPZSKTMTRDBTQE-FRIKZZABSA-N 348.490 4.311 0 40 EIAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccs1 1480420 ZOBBMQKRGRNZHR-UHFFFAOYSA-N 347.440 4.141 0 40 EIAB CCN(CC)CCOCCCNc1ccnc2cc(Cl)ccc12 1687503 CMVKLWJIEFMQAR-UHFFFAOYSA-N 335.879 4.049 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)OCCCc2ccc3c(c2)OCO3)C1(C)C 1747019 FEFQVHMYNXMPCL-CRAIPNDOSA-N 330.424 4.130 0 40 EIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1F)C3 2398651 AXEWENSALYFALX-UHFFFAOYSA-N 339.366 4.241 0 40 EIAB CCc1ccc(Nc2nnc(S[C@H]3CCCCC3=O)s2)cc1 2627274 SFVIRBMSIDPPOC-AWEZNQCLSA-N 333.482 4.448 0 40 EIAB O=C(CSc1nncs1)Nc1ccc(Oc2ccccc2)cc1 2641348 GJNJOFYQESWQFL-UHFFFAOYSA-N 343.433 4.061 0 40 EIAB Cc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 2644198 UMYXBHORUXVGKD-UHFFFAOYSA-N 341.461 4.424 0 40 EIAB CCOc1ccc2ccccc2c1C(=O)n1nc(C(F)(F)F)cc1C 2763971 FGYQWUPUSUQHIP-UHFFFAOYSA-N 348.324 4.451 0 40 EIAB CCCCOc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 3115024 BJQSIAIAAUXUCW-AQTBWJFISA-N 339.366 4.349 0 40 EIAB Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(C)c1Cl 3278234 XCROSQGZPQHWPE-UHFFFAOYSA-N 339.251 4.340 0 40 EIAB CCOc1ccccc1NC(=O)Cc1coc2cc(OC)ccc12 3325840 OBHWMKMLVTYILE-UHFFFAOYSA-N 325.364 4.021 0 40 EIAB CCc1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3383691 OOQLMKQWGGXPRW-ZDUSSCGKSA-N 342.460 4.475 0 40 EIAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 3465117 CPYDXWVDRPAIMN-LJQANCHMSA-N 342.826 4.087 0 40 EIAB CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@H]2C 4025696 KPUIORAMYKZOGW-LAFLPAGMSA-N 329.440 4.489 0 40 EIAB COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 4085336 CBCNWSQQAZIOEP-OAHLLOKOSA-N 326.392 4.411 0 40 EIAB biogenic Fc1ccccc1CSc1ccc2nnc(-c3ccccc3)n2n1 4164219 HDDWPQYLZAJVOO-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB CN(C(=O)c1ccco1)[C@]1(c2ccccc2Cl)CCCCC1=O 4166636 WEOOMIYJBKQQHM-SFHVURJKSA-N 331.799 4.044 0 40 EIAB CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)cc1 4169840 UDHMATQOPNXPLJ-UHFFFAOYSA-N 338.794 4.349 0 40 EIAB Cc1cccc(C)c1Nc1nnc(Cc2ccc(Cl)cc2)c(O)n1 4225133 TWDNIRKBXJHYTB-UHFFFAOYSA-N 340.814 4.182 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@@H](C)c1ccccc1 4516131 YSQDXCVKOOKKKM-CQSZACIVSA-N 335.403 4.396 0 40 EIAB Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 4648683 DBLJQYGNDSSYHP-UHFFFAOYSA-N 341.451 4.002 0 40 EIAB Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccc(F)cc3)C2=S)cc1 4891608 KMOODSKDACJEHH-UHFFFAOYSA-N 340.423 4.143 0 40 EIAB Cc1cc(NC(=O)CCC2CCCC2)c(=O)n(Cc2ccccc2)c1 5000850 BFSBXQAVFAALQU-UHFFFAOYSA-N 338.451 4.114 0 40 EIAB CCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F 5602489 OIEXPNBZCUUJIR-UHFFFAOYSA-N 343.807 4.069 0 40 EIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 5754533 MYCNWODVTPCZOD-UHFFFAOYSA-N 331.343 4.445 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 6168526 LOQGKAZXHSLWRT-DOTOQJQBSA-N 342.483 4.320 0 40 EIAB O=C(Cc1csc(-c2ccccc2)n1)NCCC1=CCCCC1 6760353 SCIPNJPFEJJEBW-UHFFFAOYSA-N 326.465 4.359 0 40 EIAB O=C(NCC(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 6942206 INTQQHJVBAWQBO-UHFFFAOYSA-N 330.309 4.194 0 40 EIAB COCCn1c(SCc2nc3ccccc3o2)nc2ccccc21 7719521 KVLTZGXLPZTZFY-UHFFFAOYSA-N 339.420 4.116 0 40 EIAB O=C(NCCc1cccs1)C1c2ccccc2Oc2ccccc21 7798299 ZYXZZGDVWZKQEM-UHFFFAOYSA-N 335.428 4.345 0 40 EIAB Cc1ccccc1CN(C)CC(=O)Nc1c(Cl)cccc1Cl 7845428 PRECJRREUMNJSW-UHFFFAOYSA-N 337.250 4.372 0 40 EIAB O=C1c2ccccc2N[C@H](c2cc(Br)cs2)N1C1CC1 7886111 GCZZFKTUJVYORR-AWEZNQCLSA-N 349.253 4.240 0 40 EIAB CCOc1ccc2oc(C(=O)NCc3ccc(OC)cc3)c(C)c2c1 7949910 LZLKRWVXDZNYJR-UHFFFAOYSA-N 339.391 4.079 0 40 EIAB COc1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(OC)c1 8268829 HIRTXHXECNODEN-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB CC(=O)c1ccc2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8717273 GKHCXOPJHRNSJE-UHFFFAOYSA-N 326.440 4.216 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 9063095 FITHMYCUCRIAOT-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB Fc1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 9482092 XEJKNCQTRWBCNC-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB Cc1ccc(NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10951256 AGFVKWMRWKHZPX-UHFFFAOYSA-N 339.464 4.239 0 40 EIAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F 12676969 DPYLJPSTHMKXIE-KZULUSFZSA-N 330.378 4.033 0 40 EIAB Cc1occc1-c1nc(NCc2cccs2)ncc1-c1cnccn1 12739739 KAVAITMMWPHMPL-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB O=C(CNc1ccc(Cl)cc1F)N1CCSc2ccccc21 12866012 GNFYIGOYIDEGPX-UHFFFAOYSA-N 336.819 4.030 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 12905551 YTBWVJFQGLOMJA-UHFFFAOYSA-N 349.409 4.369 0 40 EIAB CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 13631372 XBNDGDAGNIOIBK-UHFFFAOYSA-N 344.414 4.356 0 40 EIAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1C 14199492 DBGOPEGAQPWTSK-UHFFFAOYSA-N 340.404 4.463 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 20459289 MSXLQHDQXZQHCA-BEFAXECRSA-N 327.424 4.038 0 40 EIAB CC(C)c1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(F)cc1 20638500 HCVWXKRSCUAVTL-UHFFFAOYSA-N 347.397 4.303 0 40 EIAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cccc(C)c1 21787188 IYMTXBNUNNTYGB-FQEVSTJZSA-N 347.462 4.467 0 40 EIAB Cc1ccc(CN(C)Cc2nc(O)c3ccc(Cl)cc3n2)c(C)c1 23703342 LEOUTJCKUUHBEJ-UHFFFAOYSA-N 341.842 4.238 0 40 EIAB Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)nc1 27983194 OWSPNWMMNGGJJN-UHFFFAOYSA-N 348.402 4.303 0 40 EIAB CCCn1c(C)c(C(=O)NC2CCCCC2)c2cc(OC)ccc21 40017201 VEOMLOGQVHRVCH-UHFFFAOYSA-N 328.456 4.431 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(NC(C)=O)c1 44883625 RGAZVYMYCPQNBF-LJQANCHMSA-N 340.423 4.058 0 40 EIAB COc1cc(CN[C@H](C)c2ccc(Cl)s2)cc(OC)c1OC 46837479 IELUDRUIIFMJST-SNVBAGLBSA-N 341.860 4.278 0 40 EIAB CC(C)CCSCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 57155782 KHYUIFPIXUGSQV-UHFFFAOYSA-N 335.498 4.253 0 40 EIAB COc1ccc(C(=O)CSc2nnc(C)n2C2CCCCC2)cc1 57315546 GHASCIGJPWPFIR-UHFFFAOYSA-N 345.468 4.075 0 40 EIAB CCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 57405865 HJTAHFBPLDDASA-UHFFFAOYSA-N 341.411 4.214 0 40 EIAB Oc1nc(COCc2ccccc2)nc2c(Cl)cc(Cl)cc12 57771580 BATCLDDGUAPKEJ-UHFFFAOYSA-N 335.190 4.359 0 40 EIAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(-c2ccccc2)cc1 58378147 PULOJXVAVZFVAQ-HXUWFJFHSA-N 344.414 4.479 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1C 65607100 GNDIKVBSWFSQCV-CYBMUJFWSA-N 343.427 4.436 0 40 EIAB COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)cc1OC 71978305 BDTZBTIOTYBAIH-UHFFFAOYSA-N 335.407 4.027 0 40 EIAB C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(NC(=O)C2CC2)c1 72496031 BSVPATUGSKDIQR-CQSZACIVSA-N 334.419 4.017 0 40 EIAB COCCn1ccc2c(C(=O)Nc3cccc4c3ccn4C)cccc21 79192467 CIQZPMLFCFEUMC-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)s1 85556849 JQSPDXJDJWLEJU-UHFFFAOYSA-N 343.839 4.464 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1cc(F)cc(Cl)c1 85651288 IJMJBVBSFMQJEU-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1nnsc1Cl 89105007 JZQDSWHKGGIVOT-NSHDSACASA-N 348.859 4.098 0 40 EIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccnc1 95478973 KSISACDMIAGVRF-INIZCTEOSA-N 339.826 4.349 0 40 EIAB CC(C)c1nnc(CCC(=O)N2CCC[C@H](C)c3ccccc32)o1 97374366 SIRXZBRCZNXIDT-AWEZNQCLSA-N 327.428 4.056 0 40 EIAB Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)c1 100424001 JMEJAVCGRBYYLP-QZTJIDSGSA-N 343.540 4.138 0 40 EIAB COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c1 102730270 DWZAUAJBXGFMIK-KRWDZBQOSA-N 340.379 4.214 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](CN2CCCCCC2)C1 103096386 IUKFMQSVYPBJNH-KRWDZBQOSA-N 340.467 4.161 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1cc(C)cc(C)c1 224189569 HQKGTBQAVNUUGK-UHFFFAOYSA-N 341.451 4.419 0 40 EIAB Cn1c(=O)sc2cc(NC(=S)Nc3ccc(Cl)cc3)ccc21 225072253 NQONIZIXPNWNDJ-UHFFFAOYSA-N 349.868 4.062 0 40 EIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccccc1C 225470346 MOFDLACIZIUDCS-GOSISDBHSA-N 347.480 4.050 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1ccc2c(c1)CCCC2 225628778 WLKUIDKLQVBFMD-UHFFFAOYSA-N 337.463 4.327 0 40 EIAB Cc1ccnc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225873320 IMUCYFMEHTWACB-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccc1 247853565 IMEAOUHJWLFXCD-ZVDOUQERSA-N 333.431 4.054 0 40 EIAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@H](CCCC(=O)O)C2 256052164 MDCSMFHCURAADY-CQSZACIVSA-N 333.428 4.164 0 40 EIAB Cc1nnc(CSc2nc3c(Br)cccc3s2)o1 390834076 RHLPDJKLLOGGED-UHFFFAOYSA-N 342.243 4.043 0 40 EIAB O=C(COCc1ccccc1)c1ccccc1OC(F)(F)C(F)F 575361108 QXSAXIGUUAQLFF-UHFFFAOYSA-N 342.288 4.323 0 40 EIAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(C2CC2)nc1 585150435 WHDOHDXTGUUUEF-UHFFFAOYSA-N 348.368 4.227 0 40 EIAB C[C@@H](NCc1cncc(C(F)(F)F)c1)c1nc2c(s1)CCCC2 1614997913 KGDYFHMMLNHDFR-SNVBAGLBSA-N 341.402 4.287 0 40 EIAB O=C(NCCc1ccc(-c2cccs2)s1)c1cc(C2CC2)on1 1889264112 LNPOEQAOZNSQSO-UHFFFAOYSA-N 344.461 4.315 0 40 EIAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 44261 QPYKRCIQRBMWRK-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB CCc1cccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 214818 OEEUDXNMUZTEFV-GXOAENINSA-N 344.499 4.155 0 40 EIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1 569299 PPJZOYYUCWBCFD-UHFFFAOYSA-N 334.778 4.470 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)c(C)c1 570489 SBQDYHUIGZFCQY-UHFFFAOYSA-N 341.461 4.040 0 40 EIAB Clc1ccc(Cc2nnc3sc(-c4cccs4)nn23)cc1 1018200 VVUQQUNJMPUCNC-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB Cc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 1018225 DKOQQCIGJUEDRA-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB CCn1nc(NC(=O)c2ccccc2F)c2cc3cccc(C)c3nc21 1277258 FMAQYXHRIPPSCC-UHFFFAOYSA-N 348.381 4.304 0 40 EIAB Cc1sc(-c2ccc(Cl)nc2)nc1OC(=O)c1cccs1 1385779 KTZCFYRDPYZULV-UHFFFAOYSA-N 336.825 4.448 0 40 EIAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(-n3cccc3)nc2n1 1386071 OTRWOJXHDHOSOA-UHFFFAOYSA-N 331.219 4.458 0 40 EIAB O=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H]1CCCN2CCCC[C@H]12 4027673 KOIVYNLRZMNEAK-GKHXVQBSSA-N 345.527 4.401 0 40 EIAB biogenic O=C(CCn1c(=O)sc2ccccc21)Nc1cccc2ccccc12 4121592 FDCYUTZKOMTHLX-UHFFFAOYSA-N 348.427 4.245 0 40 EIAB CCOC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(C)nc1C 4206033 RNXLJHRNLNSXJG-UHFFFAOYSA-N 347.802 4.173 0 40 EIAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 4815032 JKKNLEXRYRIDQC-RTBURBONSA-N 346.434 4.064 0 40 EIAB O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCc2ccccc21 5000390 IEMFQPOXLOLWEJ-UHFFFAOYSA-N 339.778 4.039 0 40 EIAB CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@H](CC)C2 5476969 IZGYZROXRFAWPD-LBPRGKRZSA-N 337.485 4.424 0 40 EIAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(C)cc32)cc1 6556917 XILNNBCGTSAPLF-UHFFFAOYSA-N 347.443 4.499 0 40 EIAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 6629571 JVNRUFFUKIMXBH-FOWTUZBSSA-N 326.421 4.232 0 40 EIAB CCn1nc(NC(=O)C2CCCCC2)c2cc3cccc(C)c3nc21 6785615 TUDXOGUIFFLVDS-UHFFFAOYSA-N 336.439 4.432 0 40 EIAB O=C(Nc1cccc(Cl)c1F)c1ccccc1Br 7407786 FRDKTQLGGOSFST-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1c(C(=O)Cn2cc(C=O)c3ccccc32)c2ccccc2n1C 7462942 PLAHQQPYYJWZDR-UHFFFAOYSA-N 330.387 4.137 0 40 EIAB COc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 7764576 NBBQEMUSYANVIC-UHFFFAOYSA-N 345.442 4.486 0 40 EIAB Cc1cc(F)ccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 8305173 IBMWZMMHZJYIHO-GORDUTHDSA-N 347.773 4.211 0 40 EIAB CCOc1ccc(Nc2ccc3nnc(-c4ccccc4C)n3n2)cc1 9340691 FNIXWGZQAVBODD-UHFFFAOYSA-N 345.406 4.242 0 40 EIAB COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(F)cc1F 9387584 XCCCPOQOLCFFQZ-UHFFFAOYSA-N 340.757 4.291 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(F)c1 9677608 DHASGSYXDGHTMX-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1 10903565 FKJCGDTUSXCORY-UHFFFAOYSA-N 347.462 4.095 0 40 EIAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 12527104 JZFPJBUQMPGFEG-SNVBAGLBSA-N 342.342 4.100 0 40 EIAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12583088 TVVVCAXCXVBMER-LJQANCHMSA-N 349.434 4.327 0 40 EIAB Cc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccc(Cl)cc12 12893956 LMSKQFZPGYWUOO-UHFFFAOYSA-N 337.810 4.082 0 40 EIAB biogenic Cc1cnc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)s1 12981208 QMEFPNVNSMNUEL-UHFFFAOYSA-N 340.379 4.074 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C[C@](C)(C(=O)O)c1ccccc1 13250333 ADNPUEHRVNJMKI-SFHVURJKSA-N 331.799 4.020 0 40 EIAB O=S(=O)(Nc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1 14245831 IGAPMDBPFHCSJS-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 14267881 PTHBKOGFLCJROI-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccccc1F 15019149 VDWXFCFIFVLBEU-OQLLNIDSSA-N 331.343 4.201 0 40 EIAB Cc1ccc(-n2ncc3c(NCc4ccc(F)cc4)ncnc32)cc1C 17120419 IXRUDLJLBYFOFD-UHFFFAOYSA-N 347.397 4.184 0 40 EIAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 19798619 GBKQDFGJZRECHB-LICLKQGHSA-N 334.400 4.404 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccnc1 28505882 NEJWICMVJIZQBD-GQCTYLIASA-N 340.732 4.083 0 40 EIAB CC(C)OCc1ccccc1CNC(=O)c1ccccc1OC(F)F 30368281 ZSYKDNKSFSNLIU-UHFFFAOYSA-N 349.377 4.143 0 40 EIAB Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(CSC(F)F)o1 32772384 CYJKNDLMDOYTRW-UHFFFAOYSA-N 343.399 4.019 0 40 EIAB Oc1ccc(C2CCN(Cc3cc(Cl)c4c(c3)OCO4)CC2)cc1 32891652 HBPJRIODOYNDDY-UHFFFAOYSA-N 345.826 4.154 0 40 EIAB COCc1cccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c1 32893130 UIMIYDYGLWLJRE-UHFFFAOYSA-N 337.375 4.153 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCc3cccc(Cl)c3)cs2)o1 36391454 JOSYUOQUIPNDGJ-UHFFFAOYSA-N 346.839 4.224 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2Cl)CC1 39761433 LLCPUMLVVYKWMM-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB O=C(Nc1cccc(CN2CCCC2)c1)c1cc(Cl)ccc1F 40086942 GYPSMHCIZCDYQM-UHFFFAOYSA-N 332.806 4.327 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 40103243 IOANEIPZLFEMKF-UWVGGRQHSA-N 332.778 4.451 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccsc1 40138986 XGEDHRDVIQFTIB-JKSUJKDBSA-N 328.437 4.118 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1Cl 41095125 NEGSWUUJKOPRRH-NSHDSACASA-N 344.263 4.341 0 40 EIAB CCOC(=O)c1cc2ccc3c(Cl)cc(C(F)(F)F)nc3n2c1 45067901 NCQLJXFZOFNKCY-UHFFFAOYSA-N 342.704 4.336 0 40 EIAB O=c1nc(-c2ccccn2)[nH]c2scc(-c3ccccc3Cl)c12 46438358 FOGWHLFDHMCPKP-UHFFFAOYSA-N 339.807 4.367 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 47339304 XKMCEQGUXBETQA-UHFFFAOYSA-N 348.402 4.079 0 40 EIAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccn1 49026003 YYHOAWOYAUIVRS-UHFFFAOYSA-N 331.400 4.195 0 40 EIAB O=C(Cc1cccc(Cl)c1)Nc1ccc(Br)cc1F 52944747 KDXAHPDTSBKVRX-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB Cc1ccc2[nH]cc(-c3nc(-c4cccc(Cl)c4)no3)c(=O)c2c1 57354761 YAUXSAZDTSZMAC-UHFFFAOYSA-N 337.766 4.207 0 40 EIAB O=C(Nc1nnc(SCc2cccs2)s1)[C@@H]1CC=CCC1 57747032 VWOSRAMFQUKREO-SNVBAGLBSA-N 337.495 4.187 0 40 EIAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccncc1 65547661 UGNRYFFBBBSJFW-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)c2c(C)noc2C)cc1OCC 65585385 LWNAWIDRIGAMRX-HNNXBMFYSA-N 346.427 4.221 0 40 EIAB CN(Cc1ccccn1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 69530498 GBZBMAMZYZWGAK-UHFFFAOYSA-N 336.357 4.037 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1ccc2ncccc2c1 71121558 LMWMGKDVVIMRPB-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB Cc1[nH]c2ccccc2c1C1CCN(Cc2nnc(C3CC3)o2)CC1 71824768 PDQOFKYJYLZTQS-UHFFFAOYSA-N 336.439 4.116 0 40 EIAB Cc1cc(CCC(=O)Nc2cccc(O)c2)ccc1Br 84086353 BZLFDPYXPYWNSO-UHFFFAOYSA-N 334.213 4.034 0 40 EIAB Cc1nnc([C@@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1 84090064 HJCKINGZGJFRBY-SFHVURJKSA-N 329.444 4.026 0 40 EIAB O=C(Nc1ccccc1-c1cccs1)c1ccc2c(c1)OCCO2 84514646 DQKFCBXNSSEYSZ-UHFFFAOYSA-N 337.400 4.439 0 40 EIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)c1ccsc1 85470997 CYSZPDBOEIDFMF-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cn1 92753542 QGSBXGYNDLKGHP-CYBMUJFWSA-N 330.403 4.027 0 40 EIAB O=[S@@](Cc1csc(COc2ccc(Cl)cc2)n1)CC1CC1 95419048 FBUVNWKDSLKUDZ-NRFANRHFSA-N 341.885 4.034 0 40 EIAB Cc1c(-c2csc(CN3CCN(C)CC3)n2)sc2ccccc12 95971290 YFNHIOVWOMRBJW-UHFFFAOYSA-N 343.521 4.081 0 40 EIAB C[S@@](=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)o2)c1 96451280 VJJAHOUNJBHHEE-DEOSSOPVSA-N 341.388 4.062 0 40 EIAB CN(Cc1nccs1)Cc1cc(Br)cc2cccnc12 96469792 MMGGDRRBPUZOEA-UHFFFAOYSA-N 348.269 4.086 0 40 EIAB CC(C)c1ccc(-c2ncc(C[S@@](=O)Cc3ccon3)s2)cc1 97227756 PWEWKRQZYFTCNX-HSZRJFAPSA-N 346.477 4.370 0 40 EIAB O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1Cl 100548591 OCGIXRYPQDPEGM-DACLVMHWSA-N 341.838 4.356 0 40 EIAB Cc1cc(C)cc(C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2C)c1 100577832 FJHHMJBLNFJIIM-RDTXWAMCSA-N 341.838 4.325 0 40 EIAB CC(=O)N[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118918368 LGGHTNIMFTVTOB-HQURQYGRSA-N 345.527 4.061 0 40 EIAB C[C@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1 129454129 ULVCCLGGFDAOJJ-AWEZNQCLSA-N 327.378 4.060 0 40 EIAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1ccc(Cl)cc1 147752405 NVNIPSVSSAVERX-LLVKDONJSA-N 328.679 4.232 0 40 EIAB COC(=O)c1c(C)n(C(=O)c2ccc(C)c(Cl)c2)c2ccccc12 216955222 VHUWTHGSYKMGHV-UHFFFAOYSA-N 341.794 4.387 0 40 EIAB COC(=O)c1cn(C(=O)CSc2ccc(C)cc2)c2ccccc12 222569534 HWMFMIUGHNXPOX-UHFFFAOYSA-N 339.416 4.169 0 40 EIAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223659838 FEDUQYQPXAVVCJ-UHFFFAOYSA-N 345.464 4.153 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccccc1F 225702956 WHTWSBSGPXHDEE-MRXNPFEDSA-N 330.428 4.198 0 40 EIAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 227147511 FAPJKKGCYCTHQV-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)[C@@H](C)[C@@H]1C 238854999 QBFXTPLFVTYROG-MUQADHOPSA-N 332.488 4.056 0 40 EIAB O=C(c1cc(C2CCCCC2)no1)N1CCC[C@@H](c2nccs2)C1 257292598 QMGCNSUMHVGGJE-CQSZACIVSA-N 345.468 4.199 0 40 EIAB COc1ccccc1-c1ccc([C@H](C)NCCC[C@@H](C)CO)cc1 536837181 DJQJEJOYUUNIHK-SJORKVTESA-N 327.468 4.421 0 40 EIAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cccs2)cc1 48133 MBVDAHZEZJJIDP-UHFFFAOYSA-N 329.421 4.490 0 40 EIAB O=C(NC[C@@H]1CCCO1)c1sc2cccc(Cl)c2c1Cl 184711 OAKLZIWVSSWBIH-QMMMGPOBSA-N 330.236 4.117 0 40 EIAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccccc1 197797 TVLPLDIUMKCWDN-UHFFFAOYSA-N 345.398 4.153 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 510567 ADEJWKWFWUKWKE-NYYWCZLTSA-N 332.197 4.110 0 40 EIAB CCc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1369643 AOZBCJWZWSBHKN-QZTJIDSGSA-N 343.540 4.083 0 40 EIAB O=S1(=O)CC[C@H](Sc2cccc(Cl)c2)c2ccsc21 1398522 ZHLFEWUUGCFYHD-LBPRGKRZSA-N 330.883 4.412 0 40 EIAB CC(C)=C[C@H]1[C@H](COC(=O)c2cc3c(cc2Cl)OCO3)C1(C)C 1663771 AXLBVVLIPLJARG-STQMWFEESA-N 336.815 4.464 0 40 EIAB in-vitro CCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC 3359487 XPMAPJRLDOEGLW-UHFFFAOYSA-N 347.418 4.210 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(OC)c1 3404648 MYMZXEDDXPJDMQ-AATRIKPKSA-N 341.407 4.063 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 3472465 OAKRWWSCKDMYRO-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB Cc1cc2cc(CNC(=O)Cc3cccc4ccccc34)ccc2n1C 4061563 UWOOUEKWDHFGGU-UHFFFAOYSA-N 342.442 4.499 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1 4870682 FDHAHWNMFBKOLL-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB CSc1cccc(N[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 5688948 LJYIEARUANYFLL-LBPRGKRZSA-N 328.437 4.050 0 40 EIAB O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(F)cc1 6590201 HKIMQKNMMDZYAD-UHFFFAOYSA-N 332.425 4.432 0 40 EIAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(CC)cc2)n1 6810521 TVDYCFQOEBRWDA-UHFFFAOYSA-N 335.860 4.447 0 40 EIAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 7112580 GNLDITMDXSGTIR-IBGZPJMESA-N 334.375 4.055 0 40 EIAB Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)s1 7339024 ZTBOLIXVCYMUMK-UHFFFAOYSA-N 334.784 4.117 0 40 EIAB COc1cc(SC)ccc1C(=O)N(C)Cc1ccc(SC)cc1 7737082 JVRMSKSIFFXEBA-UHFFFAOYSA-N 347.505 4.411 0 40 EIAB COc1ccc(CNc2ncnc3sc4c(c23)CCCC4)cc1 8148621 VASYPHMWQOKRKS-UHFFFAOYSA-N 325.437 4.191 0 40 EIAB Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2sccc2c1=O 8244405 OHZZHMXKWFNFIA-UHFFFAOYSA-N 326.465 4.421 0 40 EIAB CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 9141848 WWVCJCUGXPXTTI-UHFFFAOYSA-N 332.425 4.138 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1C(F)(F)F 9390153 MWTNFWUPRZVYSC-UHFFFAOYSA-N 337.297 4.119 0 40 EIAB COc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccc1 9710884 SXOXPQZFTNGSPS-UHFFFAOYSA-N 346.430 4.284 0 40 EIAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCC(C)C)n2)c(F)c1 10993615 MXASYVFABFMXEA-UHFFFAOYSA-N 349.431 4.282 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 11239197 LAZQPDHHWRUAGK-KRWDZBQOSA-N 333.790 4.186 0 40 EIAB Cc1c(C)n(C[C@H](O)CNC2CCCCC2)c2c(Cl)cccc12 12421931 PXXYMIAEVQQRMR-MRXNPFEDSA-N 334.891 4.195 0 40 EIAB CN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccccc1 12921834 JDAOMLCADXAIES-UHFFFAOYSA-N 349.409 4.167 0 40 EIAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13253636 IOKMYVLRPTUSGT-SFYZADRCSA-N 348.613 4.252 0 40 EIAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C 13644526 UAGPCUDSVIKLCS-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB O=C(CCCc1cccs1)Nc1nnc(-c2ccccc2)s1 14108553 MRBXECAMMNWFSV-UHFFFAOYSA-N 329.450 4.228 0 40 EIAB O=c1[nH]c2ccc(-c3csc(-c4cccc(Cl)c4)n3)cc2[nH]1 14230945 FBJRWGKNNGDCJJ-UHFFFAOYSA-N 327.796 4.300 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccnc1 15096839 LRVWCEOKDNQEDW-UHFFFAOYSA-N 327.387 4.342 0 40 EIAB Fc1ccc(OCCn2c(C3CCOCC3)cc3cccnc32)cc1 19347199 UXTBZAJSEXEZLJ-UHFFFAOYSA-N 340.398 4.148 0 40 EIAB COc1cccc([C@@H]2SCC(=O)N2c2ccc(F)c(Cl)c2)c1 19926854 MCNWWHMCCFRGKV-INIZCTEOSA-N 337.803 4.266 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2ccc(CO)o2)c1 20137134 IRLLMYIXILVCCY-UHFFFAOYSA-N 341.794 4.274 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145251 COYKXQSPZYBPPT-VMPITWQZSA-N 343.766 4.337 0 40 EIAB O=C(CCCc1nc2ccccc2s1)N1CCOc2ccccc21 25312262 VJKZLHDELJATHW-UHFFFAOYSA-N 338.432 4.045 0 40 EIAB CC[C@H]1CSc2n1c(-c1ccc(OC)cc1)c[n+]2-c1ccccc1 27788671 RZXYKMSZAVQCRX-INIZCTEOSA-N 337.468 4.497 0 40 EIAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)C1CCC1 28221582 UBWWLGKSTXAFJD-UHFFFAOYSA-N 337.354 4.281 0 40 EIAB CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc2ccccc2c1 31405063 CZVALVWJUSTYGB-NSHDSACASA-N 325.437 4.137 0 40 EIAB C[C@@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCCO2 32284779 AVPUQNMCPPKPOX-OAHLLOKOSA-N 347.414 4.492 0 40 EIAB CCCc1noc(CCC(=O)N[C@@H](c2cccs2)C2CCCC2)n1 32397794 DJDWDQQPYFONEU-GOSISDBHSA-N 347.484 4.064 0 40 EIAB O=C(NCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1 32398800 SFHCTNZAQQQRRG-UHFFFAOYSA-N 344.458 4.018 0 40 EIAB Cc1nc(C)c(C(=O)OCc2csc(-c3cccs3)n2)s1 32671816 CBMBQGGYGNXCAF-UHFFFAOYSA-N 336.463 4.302 0 40 EIAB Cc1cc(SCC(=O)N2CCCC2)nc2c(C(C)C)cccc12 32779172 IUNCZRTVPBVKDB-UHFFFAOYSA-N 328.481 4.381 0 40 EIAB C[C@@H](OCCCNC(=O)c1cccc2ncccc12)c1ccccc1 32907581 PPAMAUYYDCCEBC-MRXNPFEDSA-N 334.419 4.133 0 40 EIAB C[C@@H]1Cc2ccccc2N1C[C@H](O)COc1ccc2ccccc2c1 35083479 LJBKFUJLECHTRB-UZLBHIALSA-N 333.431 4.031 0 40 EIAB Cc1cc2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2cc1C 35288872 GTVLHPYPDJWCLI-UHFFFAOYSA-N 339.464 4.275 0 40 EIAB COc1cccc2cc(CN[C@H](c3ccccc3)c3nccn3C)oc12 40091395 NFKZCNLLWSFOAU-LJQANCHMSA-N 347.418 4.054 0 40 EIAB O=C(c1cccc(F)c1)N(Cc1ccsc1)Cc1ccccn1 44445939 QYQHSLODJGVELH-UHFFFAOYSA-N 326.396 4.125 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1ccc(OCC(C)C)cc1)SCC(O)=N2 44890542 GRBXJOTYVBAMCZ-MRXNPFEDSA-N 331.441 4.177 0 40 EIAB Cc1ccc(CC(=O)N(C)Cc2cc(Br)cs2)cc1 48069624 QOKAEHXNXZAGFX-UHFFFAOYSA-N 338.270 4.020 0 40 EIAB O=C(O)/C(=C/c1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 50547777 RSJBHZHDIOHUFM-ZROIWOOFSA-N 330.796 4.434 0 40 EIAB Cc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)o1 56851570 VJFXBWWPRNSGRY-UHFFFAOYSA-N 331.799 4.288 0 40 EIAB CC(=O)N1CCc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc21 57784595 NAHQUFDLUDXLLI-UHFFFAOYSA-N 349.217 4.155 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cn1 58556789 JNIDHAYPSZUDQR-UHFFFAOYSA-N 328.375 4.186 0 40 EIAB CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 60320513 TVEYLYIJXLQIPV-UHFFFAOYSA-N 338.879 4.077 0 40 EIAB Cc1ccc(Cn2nc(C)c(CNCc3ccccc3)c2Cl)cc1 61002719 GWZIXJIECYTZJJ-UHFFFAOYSA-N 339.870 4.491 0 40 EIAB Cc1cc(C)cc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 63790289 NGTMPVUPHSWOSZ-INIZCTEOSA-N 328.481 4.366 0 40 EIAB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc[nH]c1=S 70010393 HKPSUJTXODTOOF-UHFFFAOYSA-N 348.642 4.461 0 40 EIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1CCOC1 71832948 PMNSXNOJHHGMGW-LBPRGKRZSA-N 340.404 4.064 0 40 EIAB O=C(NCCCc1ccccc1)c1cn[nH]c1-c1cccc(Cl)c1 72328876 PLSJDUMLBHMMOF-UHFFFAOYSA-N 339.826 4.093 0 40 EIAB Cc1ccccc1OCCn1c(CN2CCCC2)nc2ccccc21 76555487 WPVQQIBPNBTELJ-UHFFFAOYSA-N 335.451 4.020 0 40 EIAB C[C@H](c1ccccc1Cl)N(Cc1ccc2c(c1)nnn2C)C1CC1 79105560 GDNPILCRPMPEIE-CYBMUJFWSA-N 340.858 4.347 0 40 EIAB OC1=Nc2c(cnn2-c2ccc(Cl)cc2)[C@@H](C(F)(F)F)SC1 79489134 RHPPKAXEKHCLNX-NSHDSACASA-N 347.749 4.464 0 40 EIAB COc1ccccc1-n1c(C)nnc1-c1ccc(Br)cc1 84847776 CCXAVTXHPGUSRI-UHFFFAOYSA-N 344.212 4.014 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc(F)cc3)n[nH]2)cc1OCC 85385060 RXLUJRPBMAJKRJ-UHFFFAOYSA-N 327.359 4.075 0 40 EIAB O=C(O)Cc1sc(N2CCCCC2)nc1-c1ccc(Cl)cc1 95097147 SHIIMLWTFCRLGA-UHFFFAOYSA-N 336.844 4.081 0 40 EIAB CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(C)n(C3CC3)c2C)n1 95440632 MEGOZQCTXQJMQS-UHFFFAOYSA-N 349.438 4.040 0 40 EIAB CCOC(=O)c1sc(Nc2cccc(Br)c2)nc1C 95929463 SGZHARMWDHYQHN-UHFFFAOYSA-N 341.230 4.134 0 40 EIAB CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 95945360 KUWRCJSXWBWPDI-HUUCEWRRSA-N 344.484 4.263 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2ccc3nc(C)sc3c2)c1C 96433758 PGOKXOPRWUHUKT-UHFFFAOYSA-N 329.429 4.082 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)C1 100749250 MHXKZCNHVYKVPQ-CXTHYWKRSA-N 331.500 4.199 0 40 EIAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccc(Cl)cc1 218741311 DSVJIQKTEXGVGZ-UHFFFAOYSA-N 327.767 4.135 0 40 EIAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccccc2)CC1 224525535 GTQVAXCCVNOXPA-SFHVURJKSA-N 330.516 4.231 0 40 EIAB COc1cccc(NC(=S)NCCSCc2cccc(C)c2)c1 225336678 ONZVGYBBZDIYQS-UHFFFAOYSA-N 346.521 4.223 0 40 EIAB CC(C)(C)SCCNC(=S)Nc1cccc(Br)c1 225350130 ZALFZPSNTSPMIU-UHFFFAOYSA-N 347.347 4.267 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(F)cc1 225395817 DWQDOGJJYHCAIJ-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB C[C@H](O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1 225687397 AUHPNBXAYJAUSZ-VIFPVBQESA-N 344.263 4.081 0 40 EIAB CO[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)s1 225701197 MOVLOLYJTXSZHC-ZDUSSCGKSA-N 334.828 4.000 0 40 EIAB CC[C@@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OC 225787505 GMKXQUVTSQNLGO-CYBMUJFWSA-N 333.428 4.169 0 40 EIAB CCCCCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1 226351870 BZIPLWIISMNHNV-UHFFFAOYSA-N 331.368 4.172 0 40 EIAB C/C(O)=C1/C(=O)N[C@@]23CCCC[C@H]2[C@H]1c1c(ccc2ccccc12)O3 229933011 VNQCWSVDGGLWRJ-DKVAHRBHSA-N 335.403 4.164 0 40 EIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)COCc1ccccc1 390829143 CZDRQEVAGJNJOD-KRWDZBQOSA-N 335.513 4.116 0 40 EIAB CC(C)c1ccc(C(=O)[C@@H](Br)CBr)cc1 394516972 MURAEQHSIVKHBF-NSHDSACASA-N 334.051 4.151 0 40 EIAB CC[C@@H](Cc1ccccc1)c1nc(-c2ccc(N3CCCC3)cn2)no1 547203599 KJAWZXQNLMGUBZ-KRWDZBQOSA-N 348.450 4.468 0 40 EIAB Cc1ccsc1CCC(=O)N[C@@H](c1cccs1)C1CCOCC1 585149447 SSDCMXQYRRYJMV-GOSISDBHSA-N 349.521 4.335 0 40 EIAB COc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl 242265 BJYIECZAPDBSLR-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1cccc(Br)c1 381336 UTPLQQLDNNZMOM-UHFFFAOYSA-N 348.221 4.416 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)NCc1ccco1 413578 GLQTYCGBANYNQJ-UHFFFAOYSA-N 340.448 4.107 0 40 EIAB COc1cccc(NC(=O)NCCSc2ccc(Cl)cc2)c1 2933936 WOGWSGDKFCJCPV-UHFFFAOYSA-N 336.844 4.262 0 40 EIAB CCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc21 4484551 DJOWQAUFARVPRP-UHFFFAOYSA-N 345.855 4.440 0 40 EIAB Cc1noc(C)c1COC(=O)CSc1ccc2ccccc2c1 4825698 LMBCMTUVEURLTK-UHFFFAOYSA-N 327.405 4.280 0 40 EIAB COc1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OC 5445704 MNWVJYSOXHRMMQ-JHMRYYBSSA-N 343.467 4.039 0 40 EIAB Cc1nc(C(=O)NCc2ccc(F)cc2)cc2c1[nH]c1ccccc12 6075848 FMPMXQDFKIDOJW-UHFFFAOYSA-N 333.366 4.094 0 40 EIAB biogenic CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 6313368 SAXHBKAMWYSIBE-UHFFFAOYSA-N 339.435 4.276 0 40 EIAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 6556697 SNEPWSWNLRFGBW-UHFFFAOYSA-N 343.839 4.409 0 40 EIAB COc1ccccc1OCCC(=O)Nc1cccc(C(F)(F)F)c1 6600177 AMROHJHKRIXCFB-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB O=c1[nH]c(/C(Cl)=C/c2cccc(O)c2)nc2ccc(Cl)cc12 7331911 VOZFDVMHXTTYBL-QPEQYQDCSA-N 333.174 4.019 0 40 EIAB CCOc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 7807468 QBCHFFBNMBKEKT-UHFFFAOYSA-N 344.461 4.452 0 40 EIAB COc1ccc2c(CC(=O)Nc3ccc4oc(C)nc4c3)coc2c1 8133201 HKJUTDPSOVOPBA-UHFFFAOYSA-N 336.347 4.072 0 40 EIAB O=C(CCc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 8268719 PTHZWFOLBSKDOD-UHFFFAOYSA-N 327.277 4.296 0 40 EIAB COc1cc(C)c(NC(=O)c2cccc(-n3cccc3)c2)cc1OC 9914617 YCPZNBITKZQDQH-UHFFFAOYSA-N 336.391 4.055 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1 12349043 QPFMBQYRUHBKDS-KRWDZBQOSA-N 330.497 4.078 0 40 EIAB O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCCC1 12538942 MSSLSCDSDGRSQM-UHFFFAOYSA-N 337.448 4.091 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1 12767072 BVAQRLZUHCALBW-HUUCEWRRSA-N 343.496 4.182 0 40 EIAB CCCc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1 13002812 RWOZTSSGQPNQOP-CYBMUJFWSA-N 344.842 4.050 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H]1CCc2ccccc21 13012274 YBHALEVCDQNCQM-MRXNPFEDSA-N 340.473 4.218 0 40 EIAB Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(Cl)ccc21 13107349 BVMIUBUVXHYEMB-BUOIISENSA-N 334.853 4.095 0 40 EIAB O=C(CNc1ccc(Cl)cc1F)N[C@H]1CCCc2ccccc21 15122788 DLWAWXCXYYWIDQ-INIZCTEOSA-N 332.806 4.085 0 40 EIAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(CC)cc2)cc1 15613435 QSMIYOQGAHQNJF-UHFFFAOYSA-N 333.435 4.309 0 40 EIAB COc1cc(NC(=O)c2ccc(C)cc2)ccc1-c1ccc(CO)o1 20137535 QWPFOOFVSJCLKP-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB COc1cccc2cc(C(=O)N(C)Cc3ccc(Cl)cc3)oc12 20461012 ITVYUGANQOQFQQ-UHFFFAOYSA-N 329.783 4.367 0 40 EIAB O=C(CCn1ccc2ccccc21)N[C@H]1CCC[C@H](C(F)(F)F)C1 25145281 OPDHFMAHHMLLGY-GJZGRUSLSA-N 338.373 4.269 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccsc1 25330588 CNDDWXDRBXQTTR-JTQLQIEISA-N 349.308 4.149 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CCSc1ccc(C)cc1 29525125 KHXVPFPHDVBWIN-HNNXBMFYSA-N 329.465 4.363 0 40 EIAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21 32097020 BCYNOMBKZHWJEE-AWEZNQCLSA-N 349.409 4.009 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccs1 32747941 OFJJVXCRVBAYGU-CYBMUJFWSA-N 348.468 4.135 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1C[C@H](C)CC2 35671487 ULQPHJHAQNADQG-LLVKDONJSA-N 337.379 4.015 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 44883421 XFTCENUINHLHHY-JXFKEZNVSA-N 341.451 4.366 0 40 EIAB O=C(Nc1ccccc1[C@@H]1CC=NO1)c1ccccc1Br 44928808 JAMXCRTWKLIICV-HNNXBMFYSA-N 345.196 4.149 0 40 EIAB CC[C@H](C)Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1 59332010 LAZPUPWUPHFSHZ-QMMMGPOBSA-N 327.862 4.334 0 40 EIAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)c1 68733311 OFXZDEDSIPHVPG-KBXCAEBGSA-N 343.448 4.082 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71760634 HEMYFRVQRWDCIT-UHFFFAOYSA-N 338.791 4.075 0 40 EIAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)o1 71916077 ZOBKBGDOCLCIIY-QYZOEREBSA-N 338.451 4.484 0 40 EIAB Clc1cc(Cn2cc(-c3ccccc3)cn2)cc2c1OCCO2 72035586 OITDSCXEDILIFN-UHFFFAOYSA-N 326.783 4.023 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(F)c(F)c2F)C1 72405428 ONUVNTIOFCLWGF-NSHDSACASA-N 347.296 4.065 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)c1nc(-c2ccccc2)oc1C 75143071 VTTOIMOBSKZHDM-QGZVFWFLSA-N 335.407 4.268 0 40 EIAB O=C([C@H]1CC=CCC1)N(CCc1cccs1)Cc1cccnc1 75170155 OBRJFOUEFWWQIO-KRWDZBQOSA-N 326.465 4.071 0 40 EIAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)C[C@@H]2CCCO2)n1 76042894 IAVLVKRTNLCBBE-UONOGXRCSA-N 336.501 4.063 0 40 EIAB CCn1c(SCc2nc(C)cs2)nnc1-c1ccc(OC)cc1 86987547 HNCINDBWGLBHKJ-UHFFFAOYSA-N 346.481 4.031 0 40 EIAB Cc1ccc(-c2ncco2)cc1NCc1nnc(-c2ccccc2)n1C 92943110 PNSQITXVBBSGNO-UHFFFAOYSA-N 345.406 4.058 0 40 EIAB FC(F)(F)COc1cc(Cl)ccc1NCc1noc(C2CC2)n1 95409879 MSLIUGYNLNZLOA-UHFFFAOYSA-N 347.724 4.154 0 40 EIAB CC(C)Oc1ccccc1NC(=O)N(C[C@@H](C)O)C1CCCCC1 95467056 STPDAAQSBVVQCS-OAHLLOKOSA-N 334.460 4.021 0 40 EIAB O=C(/C=C/c1ccccc1)NCc1cc(C2CC2)n(C2CCCC2)n1 96104060 FXESIPHNRVFXAW-JLHYYAGUSA-N 335.451 4.205 0 40 EIAB COC[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2SC(C)C)C1 96418059 SXFFTXCDXLODLO-LBPRGKRZSA-N 342.892 4.341 0 40 EIAB O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccc(Cl)cc1 102604148 ZHROHXUSNRXPSJ-QGTPRVQTSA-N 339.822 4.413 0 40 EIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)s1 222904277 OBBHTNRPRDNYPX-JKSUJKDBSA-N 331.510 4.080 0 40 EIAB CCOc1ccc(C(=O)NCCSc2ccccc2)cc1Cl 222907344 PGAMXFDSNHRXEG-UHFFFAOYSA-N 335.856 4.261 0 40 EIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1 223120452 ABKGJNCWUPJIEQ-QZTJIDSGSA-N 340.496 4.023 0 40 EIAB CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(OC)c(C)c1 223189648 PPHGXTAHNWVTKM-VWGXWWAPSA-N 327.399 4.423 0 40 EIAB COc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225101916 MIQMFLQWJWHPMW-SFHVURJKSA-N 328.408 4.067 0 40 EIAB CCOc1ccccc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225104723 PIEDWPZGHIQFAG-IBGZPJMESA-N 328.408 4.283 0 40 EIAB CCc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1 225640376 JBCFCWZSGMIWEZ-HNNXBMFYSA-N 328.481 4.311 0 40 EIAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c(C)n1 225889499 AIBPDGQXBVCZMM-KUHUBIRLSA-N 334.460 4.103 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N(C)Cc2ccccc2)n1 225918106 WSYXDCWNUYTPLH-UHFFFAOYSA-N 346.434 4.109 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C1N=N1 253595758 IEVSFXLZSHRGPR-FXEDOPNASA-N 342.483 4.287 0 40 EIAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C1CCC1 257320323 VWGLVJXXZDIZNS-HXUWFJFHSA-N 342.414 4.042 0 40 EIAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1Cc2cccnc2C1 585392481 CZDCUGJJVOINHC-UHFFFAOYSA-N 334.350 4.169 0 40 EIAB O=C(NCCCc1ccccc1)NCc1cc(-c2ccoc2)cs1 1775969724 IHNUCZVNAPEITG-UHFFFAOYSA-N 340.448 4.440 0 40 EIAB O[C@@H](CNc1nc2ccccc2o1)c1ccc(-c2cccs2)o1 1775970449 NCPAXRYSJXLSMR-LBPRGKRZSA-N 326.377 4.295 0 40 EIAB CSc1ccc2nc(N3CC[C@H](c4ccccn4)C3)sc2c1 2298087840 CRQLOYBDWJMLBO-LBPRGKRZSA-N 327.478 4.407 0 40 EIAB Cc1ccccc1-c1nnc(NC(=O)c2ccccc2Cl)s1 178736 VMSMONIUPXRCHO-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCOc1ccc([C@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 348386 WUCDVUYSHKJRHY-VXKWHMMOSA-N 339.479 4.388 0 40 EIAB CCOc1ccc2nc(SCC(=O)N3CCCCC3)c(C)cc2c1 420935 WAYGLFYCAIOJLY-UHFFFAOYSA-N 344.480 4.047 0 40 EIAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 427422 YWSXVZXLEJDLJP-YJBOKZPZSA-N 344.798 4.118 0 40 EIAB C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 482413 SIIHVHAXTBHGEU-NSHDSACASA-N 337.202 4.351 0 40 EIAB CCOC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(C)c2ccccc12 549775 USHWSLSTYOFRCV-FQEVSTJZSA-N 347.418 4.486 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1cccc(C)c1C)C2 1369882 IQGCNCPKGSHJQI-QZTJIDSGSA-N 345.556 4.385 0 40 EIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Cl)cc1 1993580 WBYUUJDRUOSWMU-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(Cl)c1 1993581 UDTCRYUBMPLYLH-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB O=C(NCCOc1ccccc1)C(c1ccccc1)c1ccccc1 2206169 OSVKZKKAQJUUMX-UHFFFAOYSA-N 331.415 4.014 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1)C3 2449924 QWWJQRLSPWFNGN-UHFFFAOYSA-N 341.794 4.365 0 40 EIAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C(C)C)cc1 3231738 TXTFIWXVNGVJOH-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2)c1 3345631 KIXDHJUWOJJZEJ-UHFFFAOYSA-N 331.799 4.292 0 40 EIAB CCCCc1ccc(NC(=O)C(=O)NC[C@@H](CC)CCCC)cc1 4405508 YUTNCNZPCYBIDY-INIZCTEOSA-N 332.488 4.300 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1 4511902 JNFGTNFNAQQUNF-UHFFFAOYSA-N 347.827 4.384 0 40 EIAB COc1ccc2nc(NC(=O)c3cccc(SC)c3)sc2c1 4517473 SPJRGGVPUMTSNB-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB CC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(C)cc21 4603728 LRROHALQWBUVAI-YJYMSZOUSA-N 341.382 4.177 0 40 EIAB Cc1cccc(NC(=O)CCSc2nnc(-c3ccccc3)o2)c1 4740823 VRDSAKQTFHVRQY-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB O=C(c1ccccc1)[C@H]1OC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4769302 SGVOKFURKTYPGV-ONTIZHBOSA-N 342.394 4.362 0 40 EIAB C[C@H](NC(=O)C(C)(C)C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998169 IWZWKXPNVSQUCF-LBPRGKRZSA-N 329.444 4.257 0 40 EIAB O=c1c(Cl)c(NC2CCCC2)cnn1C12CC3CC(CC(C3)C1)C2 5053623 VTRNRMFOGBDVEE-UHFFFAOYSA-N 347.890 4.177 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1C1CCCCCCCCCCC1 5480346 ZVXZYLUIOPONDY-AMBYYYRHSA-N 329.484 4.467 0 40 EIAB Cc1ccc(C)c(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)c1 6016948 ACYCAOWUYIHABT-UHFFFAOYSA-N 328.462 4.215 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCCCCC1 6200374 TVDFUASIISLQBA-UHFFFAOYSA-N 325.456 4.001 0 40 EIAB CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 6313789 MSXWRFRSHICNJF-UHFFFAOYSA-N 327.815 4.281 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 6879944 LOTYUXHBRQRATH-VAWYXSNFSA-N 342.826 4.132 0 40 EIAB Cc1cccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6967384 BPDMPEYDSVWSLR-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cccs1 8327063 BTVDYKYZXKKEFK-VQHVLOKHSA-N 330.405 4.106 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 8427783 FCFYIWZCENMUFN-GOSISDBHSA-N 336.479 4.277 0 40 EIAB O=C(Nc1ncnc2c1CCC2)c1ccc(Oc2ccccc2)cc1 9202966 RVXFOHSXZHSGTQ-UHFFFAOYSA-N 331.375 4.010 0 40 EIAB Oc1cccc(C2=NN3[C@H](c4ccccn4)Oc4ccccc4[C@H]3C2)c1 10215376 CLCKHSGCPXWGSY-CTNGQTDRSA-N 343.386 4.030 0 40 EIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(Cl)nc1 12259442 JFPYCPFICPHETJ-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB CSCC[C@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 12602092 RZBMQFCJJHVIST-INIZCTEOSA-N 340.452 4.179 0 40 EIAB CCCCN(C(=O)c1ccc(NC(=O)OC)cc1)c1ccccc1 12900697 KCVMFJOHVBFZJW-UHFFFAOYSA-N 326.396 4.312 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccs1 13007485 JTKACPVIJNXAOT-UHFFFAOYSA-N 328.418 4.059 0 40 EIAB CCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167895 CTNFUDQPEGJFHO-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCc2ccccc21 14112121 UORSVCPZRDPTFC-UHFFFAOYSA-N 338.407 4.081 0 40 EIAB COC(=O)c1ccc(NC(=O)c2ccccc2SC(F)F)s1 15194214 POPVMNJSUAQGCO-UHFFFAOYSA-N 343.376 4.102 0 40 EIAB Cc1nc(-c2c(C(F)(F)F)noc2-c2ccc(O)cc2O)cs1 17719914 MBILEVHGKJFUBD-UHFFFAOYSA-N 342.298 4.204 0 40 EIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1 18193370 MRGSBEJAJLOWDG-UHFFFAOYSA-N 325.799 4.015 0 40 EIAB COC(=O)c1cc2cc(NC(=O)Cc3cccc(F)c3)ccc2s1 19935000 USKTZDDDZIBETR-UHFFFAOYSA-N 343.379 4.008 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(OC)ccc1OC 20036073 QGKDUQCHXGPORA-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 20104849 PSDGQJSENYSDHK-UZLBHIALSA-N 341.451 4.347 0 40 EIAB Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2C=O)cc1 20393392 AHJOHPLIOPMHNX-UHFFFAOYSA-N 338.190 4.132 0 40 EIAB Cc1ccc(C)c(NC(=O)CCCc2nc(-c3cccs3)no2)c1 21523990 SPVZWCGTVDZYES-UHFFFAOYSA-N 341.436 4.376 0 40 EIAB COc1ccc(CN[C@H](C)c2cccc(Cl)c2)c(OC)c1OC 22781629 YABWLIUNYNYWKU-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB COC(=O)c1ccoc1COC(=O)c1oc2ccc(Cl)cc2c1C 24104811 WSUSDBOWBVIEEV-UHFFFAOYSA-N 348.738 4.131 0 40 EIAB Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 24560263 UABUENQTEIXGAL-FQEVSTJZSA-N 345.446 4.047 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 24595372 CSBHVQUUCIEKTP-RTBURBONSA-N 327.424 4.120 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1cccc(NC(=O)C2CC2)c1 25133764 AAEIXOICPOCOSD-UHFFFAOYSA-N 332.762 4.080 0 40 EIAB CC(C)c1nc2cc(NC(=O)CC3(C(=O)O)CCCCC3)ccc2o1 27057975 WICIAOBQGLWEMT-UHFFFAOYSA-N 344.411 4.315 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)C1(C)C 32282647 COQILXKXMUTOMO-OGWOLHLISA-N 343.467 4.264 0 40 EIAB O=C(CCCOC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 32909994 YFMVKPQFVFZJLH-UHFFFAOYSA-N 338.737 4.438 0 40 EIAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCc2sccc2C1 36647724 VRGJKVNTDJWEQF-HXUWFJFHSA-N 348.471 4.486 0 40 EIAB Cc1nc2ccccn2c1C(=O)Nc1nc2c(C)ccc(C)c2s1 36695452 OXUXKIXJBNXNBT-UHFFFAOYSA-N 336.420 4.122 0 40 EIAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCCc2ccccc21 40140062 BAOWBXAIVGKPLN-UHFFFAOYSA-N 330.387 4.467 0 40 EIAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1 41184929 ZQCQWAOLELFXSA-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccccc1 44947261 JHBKEFMCVWOQGO-IBGZPJMESA-N 325.452 4.210 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49545469 JEYHFJQEWIHCCN-KRWDZBQOSA-N 333.391 4.064 0 40 EIAB C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(NC(=O)C2CC2)CC1 56284249 IQEDBPCVEVMWLF-NSHDSACASA-N 341.282 4.045 0 40 EIAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c2cccnc12 56304734 PWQNIQPGXQCHCT-UHFFFAOYSA-N 345.402 4.296 0 40 EIAB COc1ccc2oc(Nc3nc4ccc(OC)cc4s3)nc2c1 57353003 RGSMJWYLWYWSHT-UHFFFAOYSA-N 327.365 4.198 0 40 EIAB CCCc1sc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1CC 58139418 UYQXQZFHWKZQAN-AWEZNQCLSA-N 331.485 4.354 0 40 EIAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccnn3C)cc2)c1 63452221 SCRXNXVWHROWEC-UHFFFAOYSA-N 337.448 4.440 0 40 EIAB CC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)n1 65421018 VGYDKOMJKSFZOI-QGZVFWFLSA-N 348.450 4.310 0 40 EIAB O=C(CCCc1ccccc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 67745948 YJIBTQMULSHKAR-LJQANCHMSA-N 349.434 4.376 0 40 EIAB O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1c1ccccn1 69516331 JNCZHBRKJRKJJB-WBVHZDCISA-N 348.368 4.481 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2cccc(C(C)C)c2)c1 71760702 LVBXLPYSJUNZAO-UHFFFAOYSA-N 328.437 4.406 0 40 EIAB CCOc1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 71890659 WTCVOLFRMRCIPE-UHFFFAOYSA-N 348.362 4.216 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1Br 72211645 XCKNXQXYNNLEJF-OAHLLOKOSA-N 345.240 4.212 0 40 EIAB CC(=O)c1ccc(NC(=O)N2Cc3cc(F)ccc3C[C@H]2C)cc1 72291900 VHJZOMMWIAVTLJ-GFCCVEGCSA-N 326.371 4.007 0 40 EIAB CCC(CC)C(=O)NCC1CCC([C@H](c2ccccn2)N(C)C)CC1 72391151 DYZXLXGSKPFXQX-OUNSHVDWSA-N 345.531 4.043 0 40 EIAB CN(Cc1cccc(O)c1)C(=O)c1cccnc1SC1CCCC1 80382510 FFTRWNVVFZBAHJ-UHFFFAOYSA-N 342.464 4.094 0 40 EIAB CC(C)OCc1cccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 89887920 RVUKPELKAJZQRQ-GOSISDBHSA-N 346.471 4.225 0 40 EIAB CC1=CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4CO3)c3cccc1c32 95115713 GOYQVEVXSLQGII-NRFANRHFSA-N 332.403 4.024 0 40 EIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc(SC(F)(F)F)cc1 95740344 HRGDRNHWWOKAFU-NEPJUHHUSA-N 332.343 4.372 0 40 EIAB COc1cc(C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 95916645 KUHQEYKWZYGYLS-UHFFFAOYSA-N 341.190 4.250 0 40 EIAB COc1cccc2cc([C@H](C)N[C@@H](C)Cc3c(C)noc3C)oc12 96493402 RMBHCHRJRQYDGM-AAEUAGOBSA-N 328.412 4.328 0 40 EIAB Clc1ccc(C2=CSc3nnc(Cc4ccccc4)n3N2)cc1 100929650 OMKOTQTTYUIQPK-UHFFFAOYSA-N 340.839 4.170 0 40 EIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 101376728 FPFRIIVGTRKFAQ-GREKMHCPSA-N 348.229 4.251 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCc1ccc2ccccc2c1 222817651 MHERMXBWQKGZJQ-UHFFFAOYSA-N 327.786 4.491 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224190174 FYERCDGDJMBPKP-MSOLQXFVSA-N 335.432 4.160 0 40 EIAB Cc1cccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225090307 OCRJIQRDTBMTHC-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(OC)c(C)c1 225770997 HQYNMQBEMIBIGX-OAHLLOKOSA-N 328.412 4.285 0 40 EIAB Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1C 225902002 BPZWXZCHBROEQK-HXUWFJFHSA-N 336.479 4.178 0 40 EIAB C[C@@H](NC(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 248379468 MYNYMUDEGKWOLT-UKTARXLSSA-N 345.874 4.090 0 40 EIAB CC1(C)Cc2c/c(=N\C(=O)c3ccccc3)sn2-c2ccccc2N1 255189296 OZKFYSUXYXXCMO-DYTRJAOYSA-N 349.459 4.027 0 40 EIAB CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 257322164 WEVBRBBICASEQX-OAHLLOKOSA-N 341.430 4.389 0 40 EIAB Cc1cc(C)c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 409095225 ACXWVOHNCZONOD-LICLKQGHSA-N 340.810 4.363 0 40 EIAB CC(C)(C)SCC(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 521396337 ODJNWWMRLQBUQO-UHFFFAOYSA-N 340.514 4.050 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1 387212 XQZQOANBKBUFCE-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 1993669 ZNYZITWZIFXBEP-UHFFFAOYSA-N 345.826 4.433 0 40 EIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccccc1C(F)(F)F 2514910 YLZUZAJVOIWYAW-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)CSCCCc1ccccc1 2631303 VXXVVSIRIINOJW-INIZCTEOSA-N 325.477 4.330 0 40 EIAB CC(=O)[C@H]1C[C@@H](CC(=O)Nc2ccc(Br)cc2)C1(C)C 3172124 SRWPMVQYSMVHQE-SMDDNHRTSA-N 338.245 4.029 0 40 EIAB CC(=O)CCc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3334843 CWWIJQQCUSTQDW-UHFFFAOYSA-N 349.789 4.018 0 40 EIAB O=c1c2c(-c3cccs3)csc2nc(S)n1Cc1ccco1 3887598 VLQMXRCYEQTCRO-UHFFFAOYSA-N 346.458 4.117 0 40 EIAB O=C(/C=C/c1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 4886115 ZIWBTGSKTDNGHQ-GQQMJPFBSA-N 346.474 4.012 0 40 EIAB Sc1nnc([C@H]2C[C@@H]2c2ccccc2)n1-c1ccccc1Cl 5927505 MXSIORKOPSDDFW-OLZOCXBDSA-N 327.840 4.481 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1 6478534 VSHDXXWQSXTKRQ-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 6664297 QONSCSYUSPZUNT-NSHDSACASA-N 347.340 4.002 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1OC 8041006 QZSRLZUXOKAPGS-AWEZNQCLSA-N 337.778 4.284 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1 8157003 IWDZBCFNOIPMPQ-INIZCTEOSA-N 347.846 4.282 0 40 EIAB CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8498561 PBZPNBFFIGRBCU-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)CCC4)cc1 9290215 UOEZIVRNMAXMGP-UHFFFAOYSA-N 335.407 4.047 0 40 EIAB CCCCOc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 11915452 MACMWXWUJWGCMV-ZDUSSCGKSA-N 328.412 4.231 0 40 EIAB CCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(Cl)cc2)cs1 12441810 FLQYMXHVXKWXJL-UHFFFAOYSA-N 346.843 4.306 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2c(s1)CCC2 12567657 PUKJWOUVUYJFMA-UHFFFAOYSA-N 334.444 4.480 0 40 EIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 13022905 OKFQGAIDEPFEHM-GFCCVEGCSA-N 330.453 4.163 0 40 EIAB O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1ccc(F)cc1 13550249 MQXXFZJJERRUNC-IZZDOVSWSA-N 325.368 4.100 0 40 EIAB Cc1nc(NCCc2cccs2)sc1C(=O)Nc1ccccc1 14103830 FAHYMVXLTVXIJP-UHFFFAOYSA-N 343.477 4.420 0 40 EIAB Cc1ccc2c(c1)N(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1O2 15109694 PJBWZUQVHJKJFW-UHFFFAOYSA-N 344.219 4.233 0 40 EIAB Cc1cccc(NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 15288669 OCHSTFBXHXPGPE-UHFFFAOYSA-N 348.450 4.157 0 40 EIAB Cc1ccc(Nc2nc(COC(=O)c3occc3C)cs2)cc1 16416275 NWCATHUDXKYADM-UHFFFAOYSA-N 328.393 4.454 0 40 EIAB COc1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)cc1 18182476 OPIHXYSKBWOQFH-UHFFFAOYSA-N 332.350 4.170 0 40 EIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2c[nH]nc2C)n1 19690591 WAANQZVCKGBUDZ-FQEVSTJZSA-N 346.434 4.066 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 20105355 SRCCBBAPGBNSOG-ZDUSSCGKSA-N 349.883 4.459 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H]1c1ccccc1 22328759 YRQYYZRRXBCYJF-KRWDZBQOSA-N 349.459 4.491 0 40 EIAB COc1ccc(NC(=O)c2ccc(C)nc2)cc1Cc1ccccc1 22415852 NQPUXEDDMPUYNQ-UHFFFAOYSA-N 332.403 4.242 0 40 EIAB Cc1c(C(=O)Nc2nc3c(C)cccc3s2)[nH]c2c1C(=O)CCC2 24761930 VPBFNPFOLYWOQG-UHFFFAOYSA-N 339.420 4.013 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25074402 XUZRCXOLPKBQKM-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB COCc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 29144021 PQPLUQCRJGSWJS-UHFFFAOYSA-N 340.206 4.157 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(Cl)cc1 30854459 YOBAVKOHYCSYBA-SFHVURJKSA-N 331.843 4.431 0 40 EIAB CCCCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)o3)ccc12 36370056 DPVAVAAUHVKPBJ-UHFFFAOYSA-N 342.347 4.006 0 40 EIAB biogenic O=C(CNc1ccc(SC(F)F)cc1)NC1CCCCCC1 39987651 USFYJTOCHQSTSB-UHFFFAOYSA-N 328.428 4.252 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1ccc(O)cc1 40312598 AYATVPRLCRTHPB-OAHLLOKOSA-N 348.358 4.005 0 40 EIAB biogenic COc1ccc(NC(C)=O)c(NC(=O)c2cc3ccccc3s2)c1 56179745 SZMBPUCRWHIGEI-UHFFFAOYSA-N 340.404 4.121 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)OCCC(C)C)c(Br)c1 57994324 BTYAUUHUUDYHDO-LBPRGKRZSA-N 328.250 4.147 0 40 EIAB Cc1ccc2oc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2n1 67168059 GZXIEFNFYMGXSY-UHFFFAOYSA-N 339.370 4.128 0 40 EIAB COc1ccc(-c2cnc(C[S@](=O)Cc3cccc(C)c3)o2)cc1 69737829 VHKCSRZDGMJIQF-DEOSSOPVSA-N 341.432 4.108 0 40 EIAB c1csc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@@]34C2)c1 72342198 VZCGSGGZCDERBK-YXJHDRRASA-N 330.522 4.221 0 40 EIAB Fc1ccccc1-c1cccc([C@H]2CCCN(C3CCOCC3)C2)n1 72350075 CGWIGJSHAHZJKB-INIZCTEOSA-N 340.442 4.246 0 40 EIAB Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)cc1 89632206 WSRRXGPKQJSVCK-GOSISDBHSA-N 340.471 4.259 0 40 EIAB O[C@H]1CCCC[C@@H]1Sc1nc(C(F)(F)F)nc2ccccc12 89866708 GXNHPMSUEAXYTG-RYUDHWBXSA-N 328.359 4.044 0 40 EIAB C[C@@](O)(CN[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 95467444 DTQBCYIHDQFTNM-NHCUHLMSSA-N 343.417 4.398 0 40 EIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccccn1 95476774 MGAQZACKDRTMGR-INIZCTEOSA-N 339.826 4.349 0 40 EIAB O=C1N/C(=C/c2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 136920438 GMPXGAHJDNYOHJ-NTEUORMPSA-N 333.174 4.091 0 40 EIAB Cc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1C 222579137 ZLOSYELNMLAODB-UHFFFAOYSA-N 335.382 4.460 0 40 EIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 225263814 BTRMDOQXTFWPBD-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB COc1ccccc1CNC(=O)CCc1c(Cl)cccc1Cl 225346544 ORIRKCANKBXMRK-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(F)cc1 225617926 KUMHZXZRWXSZJM-LLVKDONJSA-N 336.204 4.008 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccccc2C)n1 225917313 XGNQETINNSXZOJ-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2c(C)cc(N)cc2Br)cc1 226763495 AGGZBZJSUCJXPQ-BQYQJAHWSA-N 345.240 4.300 0 40 EIAB Cc1ccc(C(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c(C)c1 238837850 HDKAPYJVDBZHAG-GOSISDBHSA-N 346.430 4.145 0 40 EIAB CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 253388812 VAOUVGSWQMTUND-BBWFWOEESA-N 339.439 4.050 0 40 EIAB CC(C)(C[C@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1)C(=N)O 331315586 JABSPAWSHDHBBV-LLVKDONJSA-N 342.892 4.134 0 40 EIAB CC(C)[C@@H]1CC2(CCN(C3COC3)CC2)CO[C@H]1c1ccc(F)cc1 1615527247 FIOCUQRJTGRSIG-PMACEKPBSA-N 347.474 4.040 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1Cl 131922 KCDSVXGVUIESBQ-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB C[C@]1(c2ccccc2)c2ccccc2N(c2ccccc2)C(=O)[C@H]1O 1564177 OZBIGUBWSLDSBU-IRLDBZIGSA-N 329.399 4.032 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 1757310 HQSMCZUWNSZKIC-BMOGTECYSA-N 328.452 4.370 0 40 EIAB COC(=O)CCCCc1ccc(CCCC(=O)OC)c2ccccc12 1767588 QDXMNUHIWHNACB-UHFFFAOYSA-N 342.435 4.221 0 40 EIAB COc1ccc(CNCCc2c(C)[nH]c3ccccc23)c(OC)c1C 2384502 DRKVFUJMHYIDDG-UHFFFAOYSA-N 338.451 4.134 0 40 EIAB CCOc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 2492916 SPSVLKFEDWDEHI-APPDUMDISA-N 342.464 4.126 0 40 EIAB O=C(CSc1ccccc1F)Nc1ncc(Cl)cc1Cl 3442452 IVRQTXQZDZXUHF-UHFFFAOYSA-N 331.199 4.258 0 40 EIAB C[C@H]1c2ccccc2C(C)(C)C[C@@H]2c3cccc(C(=O)O)c3C(=O)N12 4029028 NQBARXGSXIAIJK-YVEFUNNKSA-N 335.403 4.324 0 40 EIAB biogenic COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 4221120 UPPVBRXPOZWUJE-UHFFFAOYSA-N 346.839 4.003 0 40 EIAB CCCC[C@@H](CC)C(=O)Nc1nnc(CCc2ccccc2)s1 4696298 VRYRQYMMLJOJBO-OAHLLOKOSA-N 331.485 4.478 0 40 EIAB CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 4787611 IDEMKXUAULKYJV-PMACEKPBSA-N 335.447 4.385 0 40 EIAB biogenic N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S1 5027407 LMMODKUVVDSJOZ-OQLLNIDSSA-N 344.823 4.058 0 40 EIAB CCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1OCC 5051143 SXGBPZWWABEAMK-UHFFFAOYSA-N 338.451 4.298 0 40 EIAB CNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1C 5144971 ZXWQIPYBRJHDSZ-UHFFFAOYSA-N 338.432 4.130 0 40 EIAB c1ccc(-n2c(SCc3cn4ccccc4n3)nnc2C2CC2)cc1 6105702 OZYPASFYFHBMPZ-UHFFFAOYSA-N 347.447 4.085 0 40 EIAB COc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2)cc1OC 6259126 APWWVVNBAVKFNF-RMKNXTFCSA-N 331.799 4.318 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1 6321922 BOEYUWAFGNXXJH-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB C[C@@H](OC[C@H](O)CN1CCCCCCC1)c1ccc(Cl)cc1 6939134 LOYOOYSZLJKMLM-CRAIPNDOSA-N 325.880 4.045 0 40 EIAB CC(C)[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1cccs1 7122459 ZWCBPMWVJOZYNS-SFHVURJKSA-N 342.464 4.002 0 40 EIAB Cc1cc2oc(=O)cc(CN3CCC[C@H]3c3cccn3C)c2cc1C 7854787 GXMWFBRZWCFBGK-IBGZPJMESA-N 336.435 4.085 0 40 EIAB c1nc(Sc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCC3 7983466 BCPQYYXZNKHNSN-UHFFFAOYSA-N 342.445 4.102 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C)cc2)c1 9141931 NMEJAQVZCNTMSO-UHFFFAOYSA-N 346.814 4.014 0 40 EIAB Cc1cc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c2cc1C 9157423 QTDKTMWCWNZGMQ-UHFFFAOYSA-N 331.778 4.084 0 40 EIAB Cc1ccc([C@H](N[C@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 10351400 PUULBRQUVRGLCM-YJYMSZOUSA-N 344.405 4.341 0 40 EIAB CCc1cccc2c(CC(=O)N(C)[C@H](C)Cc3ccccn3)c(C)[nH]c12 12325420 JZXNBAZZLMFNBI-OAHLLOKOSA-N 349.478 4.066 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)Cc2ccc(Cl)cc2)cc1 12788821 QVEHCZPKQXZVLJ-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB Cc1ccc(CN(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)c(C)c1 12986844 KXWBXNJESMAGLL-ZRDIBKRKSA-N 345.446 4.161 0 40 EIAB COc1cc(/C=C/c2nc3ccccc3o2)cc(Br)c1O 13141616 RXGZAHFPQBFKDZ-VOTSOKGWSA-N 346.180 4.475 0 40 EIAB C[C@H](Oc1ccccc1)c1nnc(SCc2ccc(F)cc2)n1C 13849325 CCSRLSKAVPXXOJ-ZDUSSCGKSA-N 343.427 4.387 0 40 EIAB Cc1ccc(C)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 14001971 VMLVUAMSTOPDBZ-UHFFFAOYSA-N 332.856 4.013 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1Cl 15393491 YLXNAKHOIBNRGX-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB O=S1(=O)N=C(Nc2ccc3c(c2)oc2ccccc23)c2ccccc21 16525549 DOSNBRCFNBQKJU-UHFFFAOYSA-N 348.383 4.147 0 40 EIAB COc1ccc(C(=O)c2oc3ccccc3c2N)cc1Br 16751275 CUTPWWGHNBUNOT-UHFFFAOYSA-N 346.180 4.017 0 40 EIAB O=c1cc(-c2ccccc2)nc(SCc2ccccc2Cl)[nH]1 17903170 YOAHOPYOUKZLDU-UHFFFAOYSA-N 328.824 4.383 0 40 EIAB O[C@@H](CNc1ccccc1)COc1ccc(OCc2ccccc2)cc1 19898673 AOALQQVJJFMFNX-FQEVSTJZSA-N 349.430 4.117 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCCc2ccccc21 20492372 CHLMAMJFPQIPSG-OALUTQOASA-N 327.399 4.177 0 40 EIAB CCc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)sc1C 24002836 PJJQKTVGTGVRLU-UHFFFAOYSA-N 343.477 4.314 0 40 EIAB Cc1ccc(CCCNC(=O)c2ccc(C(F)(F)F)nc2)c(C)c1 26347584 SLAWGFMZWASDPX-UHFFFAOYSA-N 336.357 4.080 0 40 EIAB 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O=C(c1c[nH]c2ccc(F)cc12)N1CCC(OC2CCCCC2)CC1 96476231 JSBILMODWCTOLM-UHFFFAOYSA-N 344.430 4.261 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N(c1ccccc1)c1ccccc1)OC2=O 100260158 UOAFRVOULZECKY-FGZHOGPDSA-N 349.430 4.473 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1c(O)ccc2ccccc12 100998752 ZNGQUOCGBXNNOK-SFHVURJKSA-N 330.387 4.127 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 105361844 QGQQDNQFNPPGQK-WSXQUGQNSA-N 344.430 4.333 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCC[C@H]1C 105385118 QDMGQNMNICYKKZ-RNCFNFMXSA-N 336.794 4.361 0 40 EIAB CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@H]1CCc2ccccc21 107329853 LZKDECIYLKGNLC-FCHUYYIVSA-N 348.490 4.142 0 40 EIAB C[C@@H]1[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)CCC[C@H]1C 109011958 DPLXMHAMUMQAIC-MDZLAQPJSA-N 346.418 4.291 0 40 EIAB C[C@@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 195528600 ZVUILHDCYIJURD-MPKXVKKWSA-N 332.341 4.307 0 40 EIAB O=C(c1c(F)cccc1F)N1CCS[C@H](c2ccccc2)CC1 211141570 YVMSHZNRSJWZJI-INIZCTEOSA-N 333.403 4.285 0 40 EIAB COc1ccc(-c2nc3cc(C=O)ccc3o2)cc1Br 216797691 FXPQEBMXAUKWLA-UHFFFAOYSA-N 332.153 4.078 0 40 EIAB O=C(O)c1cc(Cl)c(OCc2ccc3ccccc3c2)cc1O 216932841 ZLQDFMOPXANZDV-UHFFFAOYSA-N 328.751 4.476 0 40 EIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222814078 LSWIRCKYGMYJHC-KGLIPLIRSA-N 337.901 4.177 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c(C)c1 223239443 XDCKWCLXYQSKSL-SFHVURJKSA-N 339.435 4.344 0 40 EIAB Cc1ccc(OCCNC(=S)Nc2ccc(F)cc2)cc1Cl 224191910 MTFYHTQDLXNFNC-UHFFFAOYSA-N 338.835 4.153 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](C)c1ccccc1 224441060 FOISYPVDJNOAJP-WMLDXEAASA-N 331.843 4.417 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1cccnc1-c1ccsc1 225647012 DNLSOEIQIHDFFE-UHFFFAOYSA-N 347.443 4.150 0 40 EIAB CO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c2ccccc12)C1CC1 225813342 GIOHBSAGHSWJIJ-HXUWFJFHSA-N 327.424 4.381 0 40 EIAB Cc1cc(N)c(NC(=O)COc2ccc(C(C)C)cc2)cc1Cl 226358762 OXWIULIBAXQZHP-UHFFFAOYSA-N 332.831 4.372 0 40 EIAB COc1ccc2c(-c3ccc(OC)c(OC)c3)cc(C(=O)O)cc2c1 256027785 BRCUBMXPYCYOQY-UHFFFAOYSA-N 338.359 4.231 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2CCCC[C@@H]12 257254788 KEROEYYQYCFODY-YLFCFFPRSA-N 341.373 4.230 0 40 EIAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781642 UFBTUTCUWJTLMO-FSPWUOQZSA-N 339.464 4.070 0 40 EIAB Cc1nc2ccccc2cc1NC(=O)c1ccncc1C(F)(F)F 330032294 LPVWPEZDQBYJIL-UHFFFAOYSA-N 331.297 4.209 0 40 EIAB CCCCNC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408674817 CUDNXMPDTTWPNL-UHFFFAOYSA-N 334.419 4.014 0 40 EIAB CCCC[C@H](CC)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 408718540 WEWQNXHKGWNTDE-AWEZNQCLSA-N 344.377 4.071 0 40 EIAB C[C@H](c1ccc(Cn2c3ccccc3c(=O)n2C)cc1)C(F)(F)F 585133509 KAWFNSNPISWNSW-GFCCVEGCSA-N 334.341 4.054 0 40 EIAB O=C(N[C@@H](C1CCC1)C1CC1)c1c[nH]nc1-c1ccccc1Cl 622681665 UHIWDLMVWQLKBV-INIZCTEOSA-N 329.831 4.039 0 40 EIAB O[C@H](CNc1nc2ccccc2o1)c1cc(-c2ccco2)cs1 1775971139 WMPKXRBWRSORDA-CYBMUJFWSA-N 326.377 4.295 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c(OC)c1 136924 YQPKMTFZTLBSQQ-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3c(C)cccc3s2)cc1 364555 ZJBXNJDGXJVRAV-ZDUSSCGKSA-N 326.421 4.319 0 40 EIAB CCSc1nnc(COc2ccccc2C)n1-c1ccccc1 422430 GJIIKGZSSIEJDF-UHFFFAOYSA-N 325.437 4.267 0 40 EIAB O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2c1ccc1ccccc21 519086 SOAZYYUSIFAIBW-IBGZPJMESA-N 332.355 4.318 0 40 EIAB biogenic O=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccccc1 546443 KANHEDFPOIQKTH-UHFFFAOYSA-N 326.399 4.306 0 40 EIAB in-vivo CCOc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 2492917 SPSVLKFEDWDEHI-GTNSWQLSSA-N 342.464 4.126 0 40 EIAB Brc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 3331442 SAGJEYRZFHOCRK-GFCCVEGCSA-N 339.258 4.164 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(C)c1 3562207 IXXZEYORIXMSNO-JXMROGBWSA-N 346.224 4.418 0 40 EIAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1F 4249039 KGNNQFHDXQLAPH-UHFFFAOYSA-N 339.395 4.047 0 40 EIAB COc1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nn1 5259568 ODBNQFQEGMWIIU-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(O)c(C(=O)O)c1 5375239 FMTGIWPRRZNPAR-UHFFFAOYSA-N 341.150 4.041 0 40 EIAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 6010714 DXFAUQCOJYYQDW-AWEZNQCLSA-N 349.386 4.017 0 40 EIAB O=C(OCc1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)[nH]n1 7028721 YHFVXWGNRWYXBZ-UHFFFAOYSA-N 345.358 4.089 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(Cl)c1 7403957 KVZLHNKMUUQCTG-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(Cl)c1 7917656 LLEPJFHZKPKSCE-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1F 7924800 DYMXGJNZKXSFSE-SNVBAGLBSA-N 341.304 4.344 0 40 EIAB Cc1nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc2o1 8369398 XTUHIRUWJGWQRP-UHFFFAOYSA-N 338.407 4.451 0 40 EIAB c1ccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)cc1 8395474 HKOCBXMBHRWXBG-UHFFFAOYSA-N 347.414 4.284 0 40 EIAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3F)ccc21 9137570 WQEGJTQMDUZSCS-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 11703202 GDUHYSRBDYYHJL-JXFKEZNVSA-N 341.451 4.366 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1 12235395 CUGWSBMJOLUVFK-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB COc1ccc(-c2nocc2-c2ccc(Br)cc2)c(O)c1 12320962 DFVWFHGBJMJXEB-UHFFFAOYSA-N 346.180 4.485 0 40 EIAB CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12728468 VHITXBCANOBSNX-CYBMUJFWSA-N 329.827 4.489 0 40 EIAB O=C(OCc1csc(-c2ccccc2Cl)n1)c1cccnc1 12904647 JUOUCFVBUANRPP-UHFFFAOYSA-N 330.796 4.216 0 40 EIAB COc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OCC(C)C 12922659 IGSMZTTYTWVRFL-UHFFFAOYSA-N 345.414 4.108 0 40 EIAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)c1 13668960 JGZDEBCAMOOJOL-CQSZACIVSA-N 337.872 4.137 0 40 EIAB O=C(CSc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1F 14201147 OGEHPUJJOJHFLD-BQYQJAHWSA-N 345.424 4.151 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cn[nH]c1-c1ccc(Cl)cc1 14203725 CYAUTZTWQMGLJQ-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB COc1ccc(CCC(=O)n2cccc/c2=N\C2CCCCC2)cc1 14903743 AJRPSAWNBNJOBB-LSDHQDQOSA-N 338.451 4.003 0 40 EIAB CCOCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 15739955 OULZNRGEISKTBN-UHFFFAOYSA-N 348.446 4.367 0 40 EIAB CC(C)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 17129021 IELUTQSIKZIDKD-UHFFFAOYSA-N 338.329 4.279 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20137103 IOJMQPMHNQAYTM-UHFFFAOYSA-N 341.794 4.274 0 40 EIAB O=Cc1ccc(OCc2nc(-c3ccc(Cl)cc3Cl)no2)cc1 22120881 FYVSWUYPEVBECQ-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)c(F)c1 24277154 QMMBYWDWMOTPPL-BIENSFFJSA-N 345.439 4.445 0 40 EIAB O=C(Nc1cccc(F)c1)c1csc(COc2ccc(F)cc2)n1 24842277 CUOQMWJASIVOOR-UHFFFAOYSA-N 346.358 4.253 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 26051473 OGCLMGGSYCJTHB-INIZCTEOSA-N 341.451 4.465 0 40 EIAB COCCNCc1cn(Cc2ccccc2Cl)c2ccccc12 28428346 QWASVMFCGQDSAA-UHFFFAOYSA-N 328.843 4.079 0 40 EIAB CCc1ccc(C(=O)CSc2noc(Cc3ccccc3)n2)cc1 28527333 GZJNPMVTXRWHET-UHFFFAOYSA-N 338.432 4.198 0 40 EIAB Cc1cccc(C)c1NC(=S)N1C(=O)CSc2ccccc21 28527739 AHIDJJOFFMRUHX-UHFFFAOYSA-N 328.462 4.139 0 40 EIAB CCc1sc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1C 32667806 KJDYWAGRQFMPMV-OAHLLOKOSA-N 346.496 4.169 0 40 EIAB CCc1noc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1 33012826 KRLITQJUJKMDHK-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB O=C(Nc1ccccc1NC(=O)C1CCC1)c1cccc(Cl)c1 36709606 HWNMRDUHVDKMHQ-UHFFFAOYSA-N 328.799 4.331 0 40 EIAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C)cc1C 39971423 NBIKSDMZAVXEJP-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccsc1 40094247 PAVZNZGDEGVZER-UHFFFAOYSA-N 328.368 4.005 0 40 EIAB CC1=NN(c2ccc(C(=O)N[C@@H](C)c3cc(C)sc3C)cc2)CC1 40133385 DZULMALFICLVED-AWEZNQCLSA-N 341.480 4.442 0 40 EIAB CC(C)Oc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40286790 IOIBRTHHVWWXGI-QGZVFWFLSA-N 348.406 4.178 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1OCC 44844346 QMVFBTDXCWGJFN-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 44945792 ZIXVTMKNIIEOAT-KRWDZBQOSA-N 341.451 4.046 0 40 EIAB Cc1nn(C)c2c1[C@H](c1cccc(C(F)(F)F)c1)SCC(O)=N2 49549080 QNIFBVAKIHCVRP-ZDUSSCGKSA-N 341.358 4.172 0 40 EIAB COc1ccccc1N(C)C(=O)CCCOc1ccc(Cl)c(C)c1 59782166 DNIOTPYUMGGLAS-UHFFFAOYSA-N 347.842 4.479 0 40 EIAB C[C@@H](c1nc(C2CC2)no1)N1CCC(c2cc3ccccc3[nH]2)CC1 71841197 APCTXLSRBMIFMU-ZDUSSCGKSA-N 336.439 4.369 0 40 EIAB CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)C2CCCCCCC2)c1 72052699 BAIHNLJYVJQAHR-INIZCTEOSA-N 331.456 4.228 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2C)cc1C 72280782 ZYQQZFCAFHTVRY-UHFFFAOYSA-N 340.423 4.221 0 40 EIAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc(F)cc1F 75171003 YXRQUMMIKFQTCA-UHFFFAOYSA-N 339.345 4.027 0 40 EIAB O=C(CSCC(=O)c1ccccc1)Nc1cc(F)ccc1Cl 76242814 KSNBUWIIFUWDIN-UHFFFAOYSA-N 337.803 4.034 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c(C)c1 78757900 FMJDTAFECWHLFK-UHFFFAOYSA-N 332.403 4.219 0 40 EIAB COc1cccc(CC(=O)N2CCC(=Cc3ccccc3F)CC2)c1 79093660 BPKWMXRQHOCCBR-UHFFFAOYSA-N 339.410 4.083 0 40 EIAB O=C(Nc1cccc2ccccc12)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344736 ZDEABBAHRCGTOK-ROUUACIJSA-N 345.398 4.353 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cccnc1Br 89589229 IPLWTFLTAQAVGL-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB O=C(CC1CCCCCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 89818863 UZDJEEBJYFNKLZ-KRWDZBQOSA-N 344.503 4.029 0 40 EIAB c1ccc(-n2nc(CC3CC3)cc2NCc2cnc3ccccn23)cc1 95455315 GMORKMJEEFCHME-UHFFFAOYSA-N 343.434 4.085 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCCCC[C@H]1c1ccccc1 95953252 WYIFFHPMNKYILY-IBGZPJMESA-N 326.440 4.368 0 40 EIAB CCc1nc(-c2cc(C(=O)N3CCCCC3)c3ccccn23)cs1 96154823 NRTAUSREKMQXFT-UHFFFAOYSA-N 339.464 4.251 0 40 EIAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1 96346526 FBVWLFCSLSSKGJ-UHFFFAOYSA-N 325.343 4.251 0 40 EIAB O=C(OCCCc1ccncc1)C1(c2ccc(F)cc2)CCCC1 96997070 MOWGAJLNISPREU-UHFFFAOYSA-N 327.399 4.209 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1 102606886 APDPTEZNIIDUGX-BEVDRBHNSA-N 347.414 4.489 0 40 EIAB CC(C)(C)OC(=O)Nc1sc2cccnc2c1Br 115250469 FGCLVSRZLNFAGP-UHFFFAOYSA-N 329.219 4.406 0 40 EIAB Cc1nc(-c2ccccc2NC(=O)c2ccc3nccnc3c2)cs1 208009424 XZZXBLALBRAQLR-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 223390846 ABLKBQDCYGVORG-CQSZACIVSA-N 349.883 4.324 0 40 EIAB CCc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225850337 IXDATNZQDLCXKA-UHFFFAOYSA-N 325.481 4.400 0 40 EIAB CCCN(CCC)c1ccc(N)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 226323638 CEIOJRKNTZTLKK-IYBDPMFKSA-N 331.504 4.298 0 40 EIAB C[C@@H](NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1nccs1 252508204 XGCYFKDGJNFDGJ-KBRIMQKVSA-N 339.464 4.234 0 40 EIAB CC(C)(C)c1ccc(C(=O)[C@H](Br)CBr)cc1 382675487 OGGHOYIZVKRJLR-LLVKDONJSA-N 348.078 4.325 0 40 EIAB O=C(NCCC1CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl 408706664 CCFIGVGSSITUMK-UHFFFAOYSA-N 343.254 4.019 0 40 EIAB O=c1c2sccc2nc(SCC2CC2)n1Cc1ccccc1 477368109 ULNRKCHSJPETHU-UHFFFAOYSA-N 328.462 4.008 0 40 EIAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2cccc(F)c2)C1 557007691 MIRDVDRPRQPJGT-ZDUSSCGKSA-N 333.790 4.117 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2o1 585148338 ZYPKYDDCXHHLQG-QGZVFWFLSA-N 347.370 4.156 0 40 EIAB CC(=O)Nc1ccc(CNc2cnn(-c3cccc(C)c3)c2C)cc1 1657572123 BUWJGWLZORTLTG-UHFFFAOYSA-N 334.423 4.060 0 40 EIAB CC1(C)Cc2nc3sc4c(=S)[nH]c(S)nc4c3cc2CO1 496240 PTAGHEUGSJJYSE-UHFFFAOYSA-N 335.479 4.042 0 40 EIAB FC(F)(F)c1nnc2ccc(Sc3ccc4ccccc4c3)nn12 1401963 YUZMXMWWBTVFQH-UHFFFAOYSA-N 346.337 4.448 0 40 EIAB CCCCNC(=O)c1cc(Cl)cc(Cl)c1Br 1733047 XRWKTGNWVPITFZ-UHFFFAOYSA-N 325.033 4.286 0 40 EIAB Cc1cccc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 1972987 JOABTCGOQAMQRY-UHFFFAOYSA-N 342.489 4.464 0 40 EIAB Cc1ccc2nc(COc3ccc(-c4ccccc4)cc3)cc(=O)n2c1 2659706 LIPRLEUKXFRUPP-UHFFFAOYSA-N 342.398 4.249 0 40 EIAB CC(C)(CO)Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2710092 UKFMYPWMPIOMFH-UHFFFAOYSA-N 327.815 4.133 0 40 EIAB O=C(CCSc1ccc(F)cc1)NCCSc1ccccc1 3104384 JXGPSEXZOFKGPA-UHFFFAOYSA-N 335.469 4.216 0 40 EIAB CCCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 3174405 LGOBGUDEHHJNNV-LQIMAGMGSA-N 331.456 4.192 0 40 EIAB C[C@@H](NCc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 3284443 UZAQKDSLSVVUPR-SECBINFHSA-N 329.252 4.172 0 40 EIAB COc1cc(C(=O)Nc2cccc(SC)c2)cc(Cl)c1OC 3363915 VFLPDUKZKMACNV-UHFFFAOYSA-N 337.828 4.331 0 40 EIAB CSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 4086648 DUGBCJDOOJBETA-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB Cc1cc(=O)oc2cc(OCc3coc(-c4cccs4)n3)ccc12 5292811 VQCKAQUIALSODL-UHFFFAOYSA-N 339.372 4.397 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 5560646 WNOHCNQDOQBDGF-IVKJLDKCSA-N 345.508 4.432 0 40 EIAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C)(C)C 5900825 KOQNDOOJKZYQLE-UHFFFAOYSA-N 335.400 4.325 0 40 EIAB OCCOc1ccccc1[C@H](Cc1ccccc1)NC1CCCCC1 6580604 CRJVEGGYQAPDIC-NRFANRHFSA-N 339.479 4.264 0 40 EIAB COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2c1SCC2=O 6588749 GVLUGMMWMXTIMX-UHFFFAOYSA-N 349.411 4.355 0 40 EIAB CC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)on1 8075487 OXHZQFMZDSMRQK-UHFFFAOYSA-N 343.210 4.296 0 40 EIAB CCc1nc(Nc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1 9287688 JEPOTELSRNUUOV-UHFFFAOYSA-N 333.347 4.411 0 40 EIAB Cc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)o1 9910686 NIJWPGRRLKRNBG-UHFFFAOYSA-N 330.384 4.335 0 40 EIAB Cc1ccc(CNc2nccn(-c3cccc(Cl)c3C)c2=O)cc1 10273151 XYWNPWSQOZECAF-UHFFFAOYSA-N 339.826 4.115 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C 11565936 DHNJFZQLHKWJCP-UHFFFAOYSA-N 339.501 4.164 0 40 EIAB Cn1cncc1CN[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 12087518 CDJGIYHFOCMFSK-XWSJACJDSA-N 329.875 4.136 0 40 EIAB C[C@@H](c1ccccc1)N1CNC(=S)N(c2ccccc2Cl)C1 12401912 POYHUBOZTGTCIB-ZDUSSCGKSA-N 331.872 4.013 0 40 EIAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1 12499736 OVVSJKYDGNJJAW-UHFFFAOYSA-N 329.359 4.029 0 40 EIAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 12548742 BMSPRMWMEUKJBV-NYYWCZLTSA-N 349.308 4.144 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3)o2)[C@@H]1C 12551894 RSTUAYCZSBIHGT-RKVPGOIHSA-N 327.424 4.413 0 40 EIAB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1cccnc1 15435924 KOQDQXBDDRXYCZ-ZZXKWVIFSA-N 326.705 4.406 0 40 EIAB O=C(NCc1ccc(C(=O)O)cc1)Nc1cccc(Cl)c1Cl 17071067 QOWDBLCQOOFDRC-UHFFFAOYSA-N 339.178 4.013 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccc(F)c(F)c1 19478892 OOIDYVQTZCSCHA-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB COc1cccc(-c2ccc([C@@H]3CN(CC(C)(C)C)CCO3)nc2)c1 19692522 KXKKFRFWTRPHFO-FQEVSTJZSA-N 340.467 4.177 0 40 EIAB Nc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1Cl 19736452 VSNKJQGDDJYBKW-UHFFFAOYSA-N 345.613 4.247 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 20447831 NDJVEIZHRLCGTA-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB COc1ccccc1C1(CNC(=O)c2cccc(F)c2)CCCC1 21692321 HTHJOQUZUVTUAI-UHFFFAOYSA-N 327.399 4.076 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N(C)C)nc3)ccc2c1 22419364 UOLFWMPMMUQHCY-AWEZNQCLSA-N 349.434 4.052 0 40 EIAB CCn1cnc2c(NC3CCCCC3)nc(NC3CCCCC3)nc21 26770034 WIKAFHOEGIYMFW-UHFFFAOYSA-N 342.491 4.335 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)C12CC3CC(CC(C3)C1)C2 33137128 KOMAXGFSIMRAAK-UHFFFAOYSA-N 349.434 4.424 0 40 EIAB Cc1ccc2c(c1)C=C(C(=O)NCc1ccccc1Cl)C=CO2 33321272 DWDFYYGITZGNNQ-UHFFFAOYSA-N 325.795 4.254 0 40 EIAB NC(=O)c1ccc(C(=O)Nc2ccccc2SC2CCCC2)cc1 36763748 FQWLIABZJVEVOB-UHFFFAOYSA-N 340.448 4.073 0 40 EIAB COc1cccc(/C=C/C(=O)N2CCCCC[C@H]2c2cccn2C)c1 40046872 KONIXPTYCUJMCW-SJFMBGHLSA-N 338.451 4.191 0 40 EIAB CCOC(=O)c1nc(CN(C)[C@H](C)c2cc3ccccc3o2)cs1 40153899 GLRFCXYLSGSVDA-GFCCVEGCSA-N 344.436 4.259 0 40 EIAB O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)C[C@H]1CCCO1 40156846 SZSUTNRGGSNDRS-OAQYLSRUSA-N 346.430 4.056 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)cc2)c1 56444496 JIFHHBKUHOEPNW-CABCVRRESA-N 339.439 4.075 0 40 EIAB O=C(Nc1ncccc1OC(F)F)c1cc(Cl)ccc1Cl 57698288 YAKCGJWPYFTGJH-UHFFFAOYSA-N 333.121 4.242 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351944 VBMVTGABRQWPIC-KXBFYZLASA-N 327.424 4.038 0 40 EIAB Cc1ccccc1CSc1nc2ccsc2c(=O)n1C1CC1 67259739 ZLVDKOAIKPJXJU-UHFFFAOYSA-N 328.462 4.394 0 40 EIAB CC[C@H](C)[C@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 69778616 OVBBZOHPPPOFAZ-KBPBESRZSA-N 345.443 4.074 0 40 EIAB c1csc(-c2nc(N3CCCSCC3)c3ccccc3n2)c1 71811084 JPLXSYDHIMIUII-UHFFFAOYSA-N 327.478 4.302 0 40 EIAB CC(=O)[C@@H]1C[C@@H]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 72238807 YYLLMNWSIXHQPJ-JXFKEZNVSA-N 334.394 4.446 0 40 EIAB Fc1ccc(-c2cnc(C3CCN(CC(F)(F)F)CC3)[nH]2)cc1F 72308283 YCBOBXJZBMKECU-UHFFFAOYSA-N 345.315 4.097 0 40 EIAB Cc1ccc(-c2nc(N3C[C@@H](C)O[C@H](C)C3)nc3ccccc23)cc1 72314706 JTZNBPKYISTZHL-HZPDHXFCSA-N 333.435 4.219 0 40 EIAB Cc1nc([C@@H](C)NC(=O)N(C)Cc2cc3ccccc3o2)cs1 84272035 HHIMWMGKUGZRNJ-LLVKDONJSA-N 329.425 4.100 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 84688938 UXIYNRSVBHINMZ-WFASDCNBSA-N 341.407 4.482 0 40 EIAB Clc1cncc(NCCOc2ccccc2-c2ccccc2)n1 95377627 FNBJGWIPYJCEHO-UHFFFAOYSA-N 325.799 4.288 0 40 EIAB Cc1nc(CN(C)C(=O)c2ccnc(SC(C)(C)C)c2)cs1 97048197 XOFVOJJOTLTQET-UHFFFAOYSA-N 335.498 4.009 0 40 EIAB Nc1c(Cl)cc(NC(=O)N2CCC[C@H]2C2CCC2)cc1Cl 97117701 PPCBVKLXMWFDEP-ZDUSSCGKSA-N 328.243 4.372 0 40 EIAB Cc1cc(C)cc(-c2ccc(CN(C)[C@H](C)C[S@](C)=O)cc2)c1 97377106 LAHHCWBAVPALSR-UZUQRXQVSA-N 329.509 4.169 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 105363699 HVPVPQFZGNASDB-PJOLERSMSA-N 326.484 4.056 0 40 EIAB C[C@H](NC(=O)c1csc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 107330847 CXSZPSXQMGFKFU-QFOLPQNPSA-N 328.275 4.065 0 40 EIAB S=C(Nc1ccc(N2CCCCCC2)nc1)NC1CCCCC1 224039072 OLHGUKCJLKQBHG-UHFFFAOYSA-N 332.517 4.081 0 40 EIAB COc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225101836 BUHFUSZKOBQOAH-SFHVURJKSA-N 328.408 4.067 0 40 EIAB CCCOc1ccc(NC(=O)C(C)(C)OCCC)c2cccnc12 225903315 XSKJEMGECKTRMM-UHFFFAOYSA-N 330.428 4.167 0 40 EIAB O=C1S[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 409143823 IJUCLEPFLOKLNX-HNNXBMFYSA-N 331.824 4.147 0 40 EIAB Cc1s/c(=N\C(=O)c2ccccc2)n(C)c1-c1ccc(Cl)cc1 409198755 FAIUJVQXFOZMDV-ZZEZOPTASA-N 342.851 4.457 0 40 EIAB Cc1cc(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)oc1C(=O)O 583884030 SSZFEVFQOHQGDN-KRWDZBQOSA-N 325.408 4.056 0 40 EIAB Fc1ccc(-c2cc(CSCc3cc4n(n3)CCC4)on2)cc1 593187129 GBRDRFYTXWFOQO-UHFFFAOYSA-N 329.400 4.057 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 288462 OXMBFZIJQJQHHY-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB Clc1cccc(Cc2nn3c(-c4ccccc4)nnc3s2)c1 385039 QFJUMDJPRICFLR-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4)sc3nc2c1 416733 RFAHYSHKMFOELN-UHFFFAOYSA-N 349.415 4.293 0 40 EIAB CCC(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc12 560736 HOZBAHUNANHMQQ-UHFFFAOYSA-N 334.419 4.490 0 40 EIAB Cc1cc(C)n2nc(-c3ccc(Cl)cc3)c(Br)c2n1 799884 JZLOZBHBBDNRGR-UHFFFAOYSA-N 336.620 4.429 0 40 EIAB C[C@@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 1648458 IVQGMURVQGDFDP-IHPCNDPISA-N 327.468 4.154 0 40 EIAB COc1cc(NCCCCCNC(C)C)c2ncc(C)c(C)c2c1 1666876 UREXMPQEHVOXIV-UHFFFAOYSA-N 329.488 4.440 0 40 EIAB Cc1ccccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 2117001 ACYNSIQYTBGPLC-UHFFFAOYSA-N 347.414 4.337 0 40 EIAB biogenic O=C(COc1ccccc1)OCCn1c2ccccc2c2ccccc21 2283304 XCNAONDMGXEDQY-UHFFFAOYSA-N 345.398 4.417 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1OC(F)F 2796901 HCKSDEONYHVARM-UHFFFAOYSA-N 339.313 4.387 0 40 EIAB CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1 4033313 CIXRAYITPAQJLK-KRWDZBQOSA-N 347.462 4.436 0 40 EIAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4783554 HQWPPVLSHLFTDY-WSYNCDOCSA-N 329.484 4.180 0 40 EIAB Clc1ccccc1/C=C/c1nn2c(-c3ccco3)nnc2s1 5013910 JYBDVYLZPOJUDI-BQYQJAHWSA-N 328.784 4.270 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc3nc(C)sc3c2)cc1 6540166 KTIJFUUELUMDNT-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1F 7960941 IHFPKQTVZOHKIC-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1c(C)cc(C)cc1C 7985885 OWTWYWSRWWXYOK-UHFFFAOYSA-N 327.424 4.418 0 40 EIAB O=C(CSC1=NCCS1)Nc1ccccc1Oc1ccccc1 8329403 CNNDCABRTXVTJV-UHFFFAOYSA-N 344.461 4.253 0 40 EIAB COc1ccc(SCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1 8617284 QGOSHEREEIGJDY-UHFFFAOYSA-N 325.433 4.446 0 40 EIAB Cc1cc2nc([C@H](C)C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1C 8655352 QPJCMNLBPGOLEL-LBPRGKRZSA-N 340.810 4.180 0 40 EIAB in-vitro CCc1sc2nc(NCc3ccccc3)n3nc(C)nc3c2c1C 8990318 URCLRRCMHKKOFC-UHFFFAOYSA-N 337.452 4.130 0 40 EIAB Cc1ccccc1Nc1nc(C(=O)N(C)Cc2ccccc2)cs1 9846094 QIACTCCPJNNYOD-UHFFFAOYSA-N 337.448 4.467 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C 11565994 AMEVMUJTNOZOET-UHFFFAOYSA-N 339.501 4.164 0 40 EIAB CC(C)(C)C(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233031 JIEKRCOXUDHNEJ-UHFFFAOYSA-N 327.409 4.450 0 40 EIAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 12481689 LBGWGGOCFXVPPL-FRIKZZABSA-N 348.490 4.311 0 40 EIAB COc1ccc(NC(=O)c2ccc(Cl)s2)cc1OC(F)F 12850024 LAXMPXWIJGSKDT-UHFFFAOYSA-N 333.743 4.264 0 40 EIAB O=C(COc1cccc2ccccc12)NCCCOC1CCCCC1 12887435 PNFXIPXTMDNSDM-UHFFFAOYSA-N 341.451 4.074 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13708958 ZUFGFIZZWZBMND-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)sc1Cl 14120402 KYTCWRRORYFYLG-UHFFFAOYSA-N 340.228 4.303 0 40 EIAB CCOC(=O)N1CCc2nc3ccccc3c(-c3ccccc3)c2C1 15453787 LRADWEMQTRCZEO-UHFFFAOYSA-N 332.403 4.416 0 40 EIAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1F 15583731 XRHGJZZAPDAEHS-LLVKDONJSA-N 332.806 4.407 0 40 EIAB Sc1nnc([C@@H]2C[C@@H]2c2ccccc2)n1-c1ccccc1Cl 16039015 MXSIORKOPSDDFW-CHWSQXEVSA-N 327.840 4.481 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 17325872 IPMUVEPAMQESID-HOTGVXAUSA-N 338.451 4.296 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 19179935 CZUKERHMMXKAIQ-UHFFFAOYSA-N 329.739 4.125 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NCc2cccc(Br)c2)c1 20187456 BMBZMYBTMVCHOD-GFCCVEGCSA-N 347.256 4.258 0 40 EIAB Cc1nn(C)c2ncc(NC(=O)c3ccccc3-c3ccccc3)cc12 24032768 SWYRNONESCHYQK-UHFFFAOYSA-N 342.402 4.196 0 40 EIAB CN(Cc1nc(-c2cccs2)no1)CC12CC3CC(CC(C3)C1)C2 27782623 SRMDRDSPRQSXLY-UHFFFAOYSA-N 343.496 4.446 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)cc1OC 30853830 AFLMMZFENAMOCA-INIZCTEOSA-N 349.814 4.153 0 40 EIAB CN(CCOc1ccccc1F)c1ncnc2c1oc1ccccc12 48235089 HJCQCZYULIDYPO-UHFFFAOYSA-N 337.354 4.030 0 40 EIAB CC(C)CCC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 48367303 BOXFBRFWALLNEC-UHFFFAOYSA-N 342.414 4.130 0 40 EIAB Cc1ncsc1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 57357326 AVDOUHUGTOAROC-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB Cc1cc([C@@H](C)NC(=O)Nc2ccccc2Cn2cccn2)c(C)o1 65361479 WTWRYMGLQZFDRF-CQSZACIVSA-N 338.411 4.024 0 40 EIAB Cc1cccc2nc(-c3nnc(Cc4ccc(Cl)cc4)o3)c(F)n12 66088507 VBIOHMHQXNDALT-UHFFFAOYSA-N 342.761 4.076 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1C 66129516 RDGMGVMWGBPXRU-UHFFFAOYSA-N 345.464 4.208 0 40 EIAB CCc1ccc2c(CSC[C@@H](O)c3ccccc3)cc(=O)oc2c1 69309937 CLJMXMHHASGVLN-GOSISDBHSA-N 340.444 4.322 0 40 EIAB CC(C)Oc1ccc(NC(=O)N(Cc2ccccn2)C(C)C)cc1 69350209 AITFFVHRVKOLMX-UHFFFAOYSA-N 327.428 4.311 0 40 EIAB C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)CN(C)C 76091957 JRFTUAVOCSOEDB-SNVBAGLBSA-N 332.275 4.091 0 40 EIAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC2(CCC2)C1 84497920 MVZMRRRPJGVCRN-UHFFFAOYSA-N 339.410 4.421 0 40 EIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 84734528 MAFGBGBKQOLHHM-IEBWSBKVSA-N 349.434 4.330 0 40 EIAB C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(F)cc1F 95958776 KGGZGNROMWCXTF-LBPRGKRZSA-N 344.361 4.181 0 40 EIAB CNC(=O)c1cccc(CN[C@H](C)c2ccc(-c3ccccc3)o2)c1 95967461 LUNGKPBQWNDJQP-OAHLLOKOSA-N 334.419 4.157 0 40 EIAB O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(Cl)c(Cl)c1 100557174 YRCMGEKNDGHRJJ-ZROIWOOFSA-N 333.174 4.250 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1C 219307137 ZBDBNBRALTYTHJ-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)cc2)S1 222559628 IEPSDEGHUBKREL-XZJROXQQSA-N 329.856 4.324 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1 224290004 FPLXRUUMQUCYBH-GFCCVEGCSA-N 338.234 4.120 0 40 EIAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COCC(C)C 224448142 LJVGVMLPXYMNKW-UHFFFAOYSA-N 331.387 4.259 0 40 EIAB CCOc1ccc(C(N)=O)cc1COc1ccc(C(C)(C)C)cc1 224517497 XDXUTYRTMUHAHJ-UHFFFAOYSA-N 327.424 4.061 0 40 EIAB Cc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1Cl 225079452 KMOPMQZNVDOCMY-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1ccc(-c2nn(Cc3ccc4ncccc4c3)c(=O)cc2C)cc1 1643972867 XDCIBPAUJMRSKK-UHFFFAOYSA-N 341.414 4.124 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc(F)c(F)cc1Cl 122244 ROHWKDPRZFJGAR-UHFFFAOYSA-N 337.753 4.220 0 40 EIAB Cc1nnc2sc([C@@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 385331 VHOHYPMNCSWMEU-NSHDSACASA-N 338.411 4.452 0 40 EIAB Fc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 531224 KTMXCDZTOSOCSP-HOTGVXAUSA-N 328.778 4.217 0 40 EIAB CC(=O)O[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1 1345173 XQVVCNBONUFDKD-OAHLLOKOSA-N 344.238 4.047 0 40 EIAB COC(=O)c1ccc(Cl)cc1NC(=O)c1csc2c1CCCC2 2708099 RJOSYSGTDLGINZ-UHFFFAOYSA-N 349.839 4.319 0 40 EIAB Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)cc1 2747505 JBTYLSFKVSPVOY-QGZVFWFLSA-N 346.430 4.119 0 40 EIAB Cc1ccc(/C=C/C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)o1 3449519 VXKRRGNRADWQEB-BUHFOSPRSA-N 332.355 4.438 0 40 EIAB Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)cc1 3617048 TXMYXOYJOMBHBO-UHFFFAOYSA-N 337.250 4.372 0 40 EIAB CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1c(C)cccc1C 4644950 GLZGZARXNNMGBA-HXUWFJFHSA-N 335.455 4.325 0 40 EIAB COc1ccccc1[C@H]1NC(=O)c2c(-c3ccccc3)csc2N1 4814042 QYIQVVUHXGXINL-KRWDZBQOSA-N 336.416 4.278 0 40 EIAB N=c1oc2cc(O)ccc2cc1C(=O)Nc1cc(Cl)ccc1Cl 4949730 UZRHBVDFHANRPT-UHFFFAOYSA-N 349.173 4.177 0 40 EIAB COc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@H](C2)[C@@H]1C 5048047 DZXSIVYZBVEOTC-JJEOQYAHSA-N 335.491 4.462 0 40 EIAB Cc1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)cc1 5561493 VOHRGKFCICAFQW-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB CCCOC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 6204554 ULNVNWWDVHHCHA-UHFFFAOYSA-N 336.391 4.084 0 40 EIAB COc1ccc2c(c1)C(C)(C)C(/C=C/c1cccc(OC)c1O)=[N+]2C 6782577 YMYIIPAGNGABOF-UHFFFAOYSA-O 338.427 4.129 0 40 EIAB COC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(OC)cc3)n2)c1C 7843903 MKJYUBXEFCVBTJ-UHFFFAOYSA-N 342.420 4.217 0 40 EIAB COc1ccc2oc(C(=O)Nc3cc(Cl)ccc3OC)cc2c1 8166176 UXMFZERMWMAWPU-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB O=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)NC1CC1 9117900 ILVPRMBUQPWFID-UHFFFAOYSA-N 349.459 4.375 0 40 EIAB COc1ccc(NC(=O)c2ccccc2SC(F)F)c(OC)c1 9647076 CDHLNKGLICPUDS-UHFFFAOYSA-N 339.363 4.271 0 40 EIAB O=C(NC1(c2ccccc2)CCCC1)c1ccc(Cn2cccn2)cc1 12197409 XNJKKFSPMAHHAY-UHFFFAOYSA-N 345.446 4.131 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)NCc2ccccn2)c1C 12597895 BLJOEZIKSIIXBP-UHFFFAOYSA-N 331.419 4.372 0 40 EIAB COC(=O)c1ccc(NC(=O)c2ccccc2SC(F)F)cc1 12797864 JEEWSPCQDAGMII-UHFFFAOYSA-N 337.347 4.040 0 40 EIAB CCOc1ccc(CNC(=O)CCc2ccc(C(C)C)cc2)cc1 13668507 BAZSDMXKVIAITR-UHFFFAOYSA-N 325.452 4.458 0 40 EIAB Cc1cccc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@@H](C)C4)n3n2)c1 17861963 OHVOXORFXIGMNU-IYBDPMFKSA-N 334.467 4.495 0 40 EIAB C[C@H](OCCCNC(=O)Nc1ccc(F)cc1F)c1ccccc1 18179313 SDOBVWIAGNZMAA-ZDUSSCGKSA-N 334.366 4.254 0 40 EIAB COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1F 19310120 WVMYDBQQALVNPE-UHFFFAOYSA-N 348.424 4.201 0 40 EIAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3)n2)cc1 19373024 ODDINEOAYQNFBG-KRWDZBQOSA-N 331.423 4.097 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 20025515 XTWRPNHPLUNUAC-UHFFFAOYSA-N 341.304 4.479 0 40 EIAB O=C(CSc1cnc2ccccc2n1)OCc1ccccc1Cl 22614854 NKJCFGOQQRFWJB-UHFFFAOYSA-N 344.823 4.119 0 40 EIAB Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1 25310033 RWNHBLPWSYRREW-UHFFFAOYSA-N 345.324 4.358 0 40 EIAB CCC(CC)N(C)Cn1nc(/C=C/c2ccc(F)cc2)[nH]c1=S 32803768 ZFRVKYOKRMAHNT-DHZHZOJOSA-N 334.464 4.328 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1COc2ccccc2C1=O 35316502 GISZHYLEXPIQKP-HOTGVXAUSA-N 345.439 4.058 0 40 EIAB C/C=C/[C@@H]1[C@H](C(=O)OCc2c(F)c(F)c(C)c(F)c2F)C1(C)C 35930124 AGMMRUPNXPWLGF-XIJCSBCJSA-N 330.321 4.443 0 40 EIAB in-man CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 38755739 CYYWQYIUOBDTDL-MRXNPFEDSA-N 349.430 4.322 0 40 EIAB CC[C@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1 40005372 CKEADNPENAMQRH-NRFANRHFSA-N 347.462 4.084 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nc(O)c2sccc2n1 40497561 BHHWWOGUSABKBL-JTQLQIEISA-N 333.844 4.243 0 40 EIAB COc1cc2c(cc1NC(=O)C[C@@H]1CCCO1)oc1ccccc12 42200818 OHOKVOGCGOTTKI-LBPRGKRZSA-N 325.364 4.102 0 40 EIAB O=C(NCC1CCN(Cc2ccsc2)CC1)c1ccccc1Cl 43971627 UHLZXAGCLFEQPW-UHFFFAOYSA-N 348.899 4.044 0 40 EIAB C[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N(C)C1CCCCC1 45927482 GVWVYGUPOQKNMH-AWEZNQCLSA-N 343.496 4.348 0 40 EIAB COc1cc([C@@H](C)NC(=O)c2ccc(C)o2)ccc1OC1CCCC1 48339904 JPLMTYWNEWIJHO-CQSZACIVSA-N 343.423 4.409 0 40 EIAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(OCc2ccccn2)c1 55645331 VRRHRNTYPDYXHZ-IAGOWNOFSA-N 336.435 4.194 0 40 EIAB Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H]1c1ccccn1 58343458 QDIKYPLLOOXBEH-CQSZACIVSA-N 329.469 4.121 0 40 EIAB CCCc1nn(C)c2c(=S)[nH]c(-c3ccccc3OCC)nc12 59726288 TUBOOZSGASWZDM-UHFFFAOYSA-N 328.441 4.044 0 40 EIAB in-vitro CC(=O)N(C)c1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1 60165807 GCXGUSLSRUVULD-GFCCVEGCSA-N 342.464 4.108 0 40 EIAB O=C(NCc1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)no1 66089040 DZTBRMGVTWYVLX-UHFFFAOYSA-N 348.736 4.203 0 40 EIAB Cc1occc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O 69326648 DEMZFSXWQVLCNN-UHFFFAOYSA-N 332.425 4.048 0 40 EIAB Cc1ccoc1-c1nnc(CSc2ccc3c(c2)OCCCO3)o1 69702130 MJMOESSLXDYIDZ-UHFFFAOYSA-N 344.392 4.092 0 40 EIAB C[C@H](NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccccc1 72328866 XJBPWHKQKZGNRB-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB CCn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72358231 VXVRYRQMFKMGEI-NRFANRHFSA-N 346.478 4.226 0 40 EIAB CCc1ccc([C@@H](C)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 75572509 REUNPEJSVZDKIZ-OAHLLOKOSA-N 332.488 4.299 0 40 EIAB Cc1csc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1 85562183 JFRLBSQMVWYFNE-OAHLLOKOSA-N 349.502 4.191 0 40 EIAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2ccccc2c1 89905142 CKCDNXWBTFMCGW-CYBMUJFWSA-N 347.370 4.089 0 40 EIAB CCC(CC)n1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)n1 89943245 CRUNYMVLERPRCM-UHFFFAOYSA-N 347.503 4.198 0 40 EIAB C[C@H](N[C@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 95421010 XZFXTRAPJWMCCJ-GUYCJALGSA-N 342.464 4.433 0 40 EIAB C[C@H](NCCSc1ccccc1F)c1ccc([S@@](C)=O)cc1 95422370 FPUVJCGXPANCRG-XMHCIUCPSA-N 337.485 4.006 0 40 EIAB CCCOc1ccc(CNc2cc(C(=O)NC3CC3)ccc2C)cc1 95428663 LNUDEYPHEQPWFI-UHFFFAOYSA-N 338.451 4.288 0 40 EIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C(F)F)c1 95984762 ZHRNAWSGLIIWTR-AWEZNQCLSA-N 334.370 4.333 0 40 EIAB CCOc1ccc(-c2nc(S)c(-c3ccc(OC)cc3)[nH]2)cc1 101478565 WLAHQKIRDRZJRB-UHFFFAOYSA-N 326.421 4.440 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccnn1Cc1cccc(Cl)c1 105126019 BKBNWUMKESEXRO-BPUTZDHNSA-N 343.858 4.350 0 40 EIAB CCC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@H]3[C@H]2C 105367118 OPDBPJWZYLLHKS-FOYIIANOSA-N 344.451 4.141 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 219541775 QIZAEMXIBDSVOR-INIZCTEOSA-N 345.870 4.473 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222613367 JJZSZJVURQUKIV-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 224608844 FJWLTKHNSNPECF-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccccc1OC 225568284 BVFHQXBQJGBSNJ-CXAGYDPISA-N 347.842 4.383 0 40 EIAB O=C(NCCSCc1ccccc1)c1ccc2c(c1)CCCC2 225625592 UVHPAHRXJVZAQV-UHFFFAOYSA-N 325.477 4.229 0 40 EIAB CCc1ccc(CC(=O)Nc2nnc(SCC(C)C)s2)cc1 225871988 GPNLTROYDMWKEI-UHFFFAOYSA-N 335.498 4.030 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1Cl 227147942 AKXVLMCNDLZMJN-UHFFFAOYSA-N 339.222 4.372 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 310005932 VEWVNZVAZWNUDX-ZDUSSCGKSA-N 329.362 4.261 0 40 EIAB COc1ccc(-c2nnc(SC(=O)c3ccccc3Cl)o2)cc1 408692465 NBKLEUNHKFAOHM-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409064392 CSKBDIFRMMSKIL-MHWRWJLKSA-N 341.388 4.205 0 40 EIAB CCCn1nccc1NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 513552996 FKUOQTLIZDFGIQ-HXUWFJFHSA-N 340.471 4.269 0 40 EIAB O=C(Nc1ccccc1OCc1cccnc1C(F)(F)F)C1CC1 530161863 SHXJXMZZXMQVGB-UHFFFAOYSA-N 336.313 4.028 0 40 EIAB Cc1noc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)c1C 1548449108 MQGVHJYDONIKNO-UHFFFAOYSA-N 340.345 4.061 0 40 EIAB CC(C)Oc1ccc(C(=O)OCC[C@@H]2CCCN3CCCC[C@H]23)cc1 519074 FMEJIPSHYUISGF-FXAWDEMLSA-N 345.483 4.285 0 40 EIAB biogenic Cc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c(C)c1 756759 VEMIQUAFBDWWGN-UHFFFAOYSA-N 341.418 4.127 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCCC1 3215693 WMBXQZYSDAJXAQ-GUYCJALGSA-N 348.899 4.357 0 40 EIAB O=C(O)Cc1sc(Nc2ccc(F)cc2)nc1-c1cccs1 3243334 ZDEZJQADCAKSPF-UHFFFAOYSA-N 334.397 4.381 0 40 EIAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 3452876 ZCJSDKDSZZVMOQ-UHFFFAOYSA-N 344.414 4.112 0 40 EIAB O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)cc1Cl 3537031 NILFJYUXYBXXKJ-UHFFFAOYSA-N 335.234 4.385 0 40 EIAB O=C1C[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 4799809 KAEAITWIXLBOTC-RJGXRXQPSA-N 328.411 4.415 0 40 EIAB Cn1c(C(=O)N(Cc2ccco2)C2CCCC2)cc2sccc21 4971273 LBNQPOLYJSFPEB-UHFFFAOYSA-N 328.437 4.418 0 40 EIAB CC(C)(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136285 SLQLZHAEBVFLEH-UHFFFAOYSA-N 342.464 4.326 0 40 EIAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C)cc1 5196315 HRUIGNWXGOZGML-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB CCCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C 6322987 WGIFISIRTYNSKQ-AQTBWJFISA-N 341.451 4.283 0 40 EIAB CCc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 6653299 JJYIUKDSSSLBHI-UHFFFAOYSA-N 334.213 4.272 0 40 EIAB Cc1occc1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 7848064 ARGHOTLEEIMLHZ-SECBINFHSA-N 342.178 4.079 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c(O)c1 7960411 QREDLKAVDZHMLN-UHFFFAOYSA-N 333.387 4.455 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC(C)C)cc1 8558538 WCAUVFFZKJWAOX-QGZVFWFLSA-N 343.423 4.279 0 40 EIAB COc1ccc(-n2ccnc2SCc2nc3ccccc3o2)cc1 8725216 LFJKDYYDPGNAOP-UHFFFAOYSA-N 337.404 4.314 0 40 EIAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1cccnc1 8728812 FTEMSSGYQDBOMX-UHFFFAOYSA-N 344.414 4.028 0 40 EIAB CCn1c(NC(=O)c2ccccc2Br)nc2ccccc21 10651365 JCYXBGDXGLQPLO-UHFFFAOYSA-N 344.212 4.071 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(COc4ccccc4)o3)ccc2[nH]1 10895846 UNWOOZOFSBTWBN-UHFFFAOYSA-N 347.374 4.296 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](N)(=O)c1ccc(N(C)C)cc1 11852611 OOJHUUWPPUDIFV-SWDAYOAKSA-N 338.432 4.007 0 40 EIAB Cc1cccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 12534315 LMZMTTCEYRSOEZ-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)cc1 12949840 IGJROBULCVXYHC-HDMKZQKVSA-N 345.483 4.224 0 40 EIAB O=C(O)c1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 13166219 OIZABUHSAGQGSA-UHFFFAOYSA-N 347.370 4.107 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(Cl)cc1Cl 13265242 CDCYSYACVZEUQD-DYVFJYSZSA-N 334.250 4.354 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1OC 13931237 VWFVCZYTMLFJAX-CQSZACIVSA-N 344.480 4.368 0 40 EIAB Cc1ccc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c(C)c1 14093026 HBUURYURISUEQA-UHFFFAOYSA-N 341.436 4.213 0 40 EIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(CC)cc1 16751217 HWVAEVYYGWHFSB-IBGZPJMESA-N 347.414 4.311 0 40 EIAB Cc1cc(C)cc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)c1 17071433 BLPNNMAPYDHVHU-UHFFFAOYSA-N 341.455 4.453 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(F)ccc1Br 19358050 BVAZANSTIXFECC-SNVBAGLBSA-N 334.188 4.180 0 40 EIAB Cc1nc(NCc2ccccc2)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 19718042 XTINDYSLECNHFI-AWEZNQCLSA-N 349.482 4.323 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20049141 YLOQLEVSIBQBAC-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB CC(C)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 21633713 ARLKRPVLQGTBLD-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB COc1cccc(OC)c1C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22538064 QIUCQPRAOPWZLH-OAHLLOKOSA-N 327.424 4.120 0 40 EIAB CCn1cnnc1-c1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 25284839 JKGQIYJDEDOHSM-UHFFFAOYSA-N 345.406 4.007 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCC2 25768014 BFKZHMBZUCYPQX-UHFFFAOYSA-N 325.437 4.075 0 40 EIAB Clc1ccccc1-c1nnc2n1N=C(c1cccs1)CS2 30782354 FAESSNRDGBYPLN-UHFFFAOYSA-N 332.841 4.018 0 40 EIAB O=C(Cc1ccc2c(c1)CCCC2)Nc1nc(C(F)(F)F)cs1 31415600 SRLYXCABOXIBFN-UHFFFAOYSA-N 340.370 4.222 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3ccc4ccccc4n3)c2)n1 31801064 VNDPJXPXXLEFHL-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OC 31819575 IACVKGLSLZNTAD-OAHLLOKOSA-N 349.390 4.013 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)cc1 32593647 URSZQLAFSRUCBW-UHFFFAOYSA-N 349.434 4.007 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38833223 WXSHICATMWZEPL-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2Cl)cc1 38833794 XEMJEBIYZQSXRB-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 39972121 ICKJEGYLXBSWDP-JTQLQIEISA-N 334.778 4.121 0 40 EIAB CCc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1C 48341624 SBPSUWNPGGEMIA-UHFFFAOYSA-N 328.359 4.214 0 40 EIAB COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 51354206 OCVZNGQUHOCOLK-UHFFFAOYSA-N 340.301 4.367 0 40 EIAB Cc1cc2nc(N(C)Cc3ccc(F)cc3F)c3ccccc3n2n1 70040745 OURIJHNCOJOXHP-UHFFFAOYSA-N 338.361 4.106 0 40 EIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(CC(C)C)o3)n2)cc1 71893914 KAKNRWDNDLFRTI-LBPRGKRZSA-N 343.456 4.215 0 40 EIAB CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215314 MCCSQPBHWPWHCQ-INIZCTEOSA-N 331.460 4.142 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCCN2C(=O)c2ccccc2)c1 72221901 NSQJCUNGOJYIOR-SFHVURJKSA-N 325.408 4.071 0 40 EIAB O=C(CN(Cc1ccccc1F)c1ccccc1F)NC1CCCC1 72269968 LYZJGBFMZOJDMV-UHFFFAOYSA-N 344.405 4.030 0 40 EIAB Cc1cnc([C@@H](NC(=O)NC2(c3cccc(F)c3)CC2)C2CC2)s1 74703828 VWCFRZSODDCSAV-HNNXBMFYSA-N 345.443 4.030 0 40 EIAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OC 76275821 IMCMDPZFXQSYBE-UHFFFAOYSA-N 335.787 4.058 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)nc2ccccc21 79336573 ALCVBCDCPZJHOE-MPGHIAIKSA-N 349.434 4.116 0 40 EIAB Cc1nc(C(=O)Nc2ccccc2O)c(-c2cccc(F)c2)s1 79479963 UEEQMOXFAJJXJY-UHFFFAOYSA-N 328.368 4.216 0 40 EIAB CC[C@](C)(NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1 84721210 HDLZVAIQLNXDQG-FQEVSTJZSA-N 341.455 4.101 0 40 EIAB CC(C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)N(C)C 89791390 BQCOBHXAHVARQC-OAHLLOKOSA-N 325.378 4.252 0 40 EIAB CCO[C@@H](C)c1nc(CSc2nccn2C(C)(C)C)cs1 95399131 JWSHFMHAVMCQMK-NSHDSACASA-N 325.503 4.484 0 40 EIAB Fc1cc(CNCc2coc(-c3ccccc3)n2)c2ncccc2c1 95415511 ZNCKGAFIGBYSKW-UHFFFAOYSA-N 333.366 4.319 0 40 EIAB c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cncs2)cc1 95425746 UCISXNRXSRZTNO-UHFFFAOYSA-N 346.459 4.286 0 40 EIAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](C)C2 102606981 IDNGCYIMAWTMQX-ZJQBRPOHSA-N 347.480 4.034 0 40 EIAB Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 102680733 DZLHRCTZVFXHBQ-QGZVKYPTSA-N 333.431 4.177 0 40 EIAB C[C@H]1CCCN([C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 103436088 GPCPYXWKQMVFMV-NWDGAFQWSA-N 343.452 4.038 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C)cc1 113960562 JPGOWCMQYHNRSD-NVXWUHKLSA-N 327.424 4.038 0 40 EIAB CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 118637973 VNYSSYRCGWBHLG-RQXFNYAMSA-N 336.472 4.158 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)n1 148101936 FLBIOHHKRQIDSV-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB COc1cc(C)c(NC(=O)Nc2cnn(C3CCCC3)c2C)cc1F 194034096 SUFRTAAQPOUDKX-UHFFFAOYSA-N 346.406 4.407 0 40 EIAB COc1cc2ccccc2cc1C(=O)N[C@H](C)COc1ccc(C)cc1 219393108 DNECFXRLTUECIN-MRXNPFEDSA-N 349.430 4.354 0 40 EIAB CCOCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OCC 224693893 RZVQKCCYRGXSOU-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB Nc1ccc(Nc2ccc(Cl)c(Cl)c2)c(C(=O)NC2CC2)c1 225475720 PAHVQVXQWMNNIC-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB CC(C)(Br)C(=O)Nc1ccc(OCc2ccccc2)cc1 225593842 JHXNXGJCQRCDSU-UHFFFAOYSA-N 348.240 4.378 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 225792976 LULXUSDIBXNFOC-UHFFFAOYSA-N 331.419 4.245 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCC1 225849365 VGPPMMNRFACGAO-UHFFFAOYSA-N 345.361 4.392 0 40 EIAB C[C@H](NC(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 248379465 MYNYMUDEGKWOLT-ABHRYQDASA-N 345.874 4.090 0 40 EIAB CC(C)c1cc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)no1 266368048 IJSJUZWEJJTVDU-AWEZNQCLSA-N 331.391 4.034 0 40 EIAB CCOc1ccc(-n2c(C)nnc2SCc2ccc(F)cc2)cc1 409104487 IZSMENXCOFREEN-UHFFFAOYSA-N 343.427 4.406 0 40 EIAB Fc1ccccc1N1CC[C@@H](c2nc(-c3ccc4cc[nH]c4c3)no2)C1 558510772 GOTSWPMNIZFIAP-OAHLLOKOSA-N 348.381 4.351 0 40 EIAB CCOC(=O)CCCC(=O)c1ccc(OCc2ccccc2)cc1C 575356805 BDCLXEZKOJJUCY-UHFFFAOYSA-N 340.419 4.490 0 40 EIAB CN(Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585289687 VEGQAIPZKASVJS-XUVXKRRUSA-N 345.870 4.133 0 40 EIAB FC(F)c1cc2cc(I)ccc2nc1Cl 685937124 JRHARGMRKYLLER-UHFFFAOYSA-N 339.510 4.430 0 40 EIAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(Cl)cc1)CC2 319577 JFXDGHBDHUQAIP-LBPRGKRZSA-N 345.826 4.117 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccc(Cl)cc2)cnn1-c1ccccc1 385350 IWBKIEHJTOMMJE-CYBMUJFWSA-N 339.826 4.325 0 40 EIAB Cc1cc2sc(NC(=O)COc3ccccc3)nc2cc1Cl 569629 IPNLXZPTHFUFFJ-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(OC)c1 818105 MLVLTLZIRMTBBI-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB N[C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1 1808919 UNWOOXJLYCGANT-CRVDFBCUSA-N 337.448 4.118 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 3334541 UCIBMSAANIUDJP-MRXNPFEDSA-N 330.225 4.257 0 40 EIAB CCc1cccc(C)c1NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 3548562 HUMCEFFJOPVHNJ-UHFFFAOYSA-N 349.434 4.101 0 40 EIAB CCn1cc(CC[C@@H](C)NC(=O)c2cccs2)c2ccccc21 3765565 VGEIUULANVASPX-CQSZACIVSA-N 326.465 4.474 0 40 EIAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 4072144 PZXDOKTWAIXURB-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCCC2 4176848 QVLMPUDYBCHYAX-UHFFFAOYSA-N 348.855 4.022 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385012 MLRNTZWHEOVBGG-ZDUSSCGKSA-N 339.826 4.230 0 40 EIAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc21 4484554 XIGNNWLLWSFDNI-UHFFFAOYSA-N 347.390 4.065 0 40 EIAB Cc1cccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)c1 4696539 JGYYEPUNADLSQD-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB CCn1cc(CCCNC(=S)NC2CCCCC2)c2ccccc21 5274228 COYJXRARPAHWPL-UHFFFAOYSA-N 343.540 4.391 0 40 EIAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 5965355 FKCQNYRZPJJPIC-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)NCc1cccs1 6313809 NFCPQUNVAFQUAV-UHFFFAOYSA-N 329.849 4.090 0 40 EIAB O=C(OCc1nc2ccccc2o1)c1csc(-c2cccs2)n1 7076152 XAJMQKVGCRWUJS-UHFFFAOYSA-N 342.401 4.370 0 40 EIAB Clc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1 7985219 RELYQDMDJWGZNA-UHFFFAOYSA-N 337.854 4.210 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c2ccccc2n1 7989303 QWMMCNPBTUSIDT-LBPRGKRZSA-N 326.346 4.312 0 40 EIAB Cc1cc2nc(Oc3ccc4ccc(=O)oc4c3)c3ccccc3n2n1 8231603 LHRUNGSPQDYAJW-UHFFFAOYSA-N 343.342 4.090 0 40 EIAB CSc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9012824 SMAWVGLAWFGHJC-OAHLLOKOSA-N 335.432 4.273 0 40 EIAB c1ccc(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)nc1 12668127 KMLHXOUBZASBGV-UHFFFAOYSA-N 345.431 4.274 0 40 EIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)cc1 12916813 WMCHPEIGFDYHOG-SFHVURJKSA-N 344.842 4.124 0 40 EIAB Fc1ccc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 13009208 YKRBUYWZZNJKGC-CQSZACIVSA-N 329.400 4.274 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1 14198488 JIXHYJZHOVOTSA-UHFFFAOYSA-N 340.404 4.463 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 15669716 RZJPIEGNCDWSAY-UHFFFAOYSA-N 330.453 4.453 0 40 EIAB CCC[C@H]1c2cccn2CCN1C(=O)c1cc(OC)nc2ccccc12 19502090 JJVVIYJJQDJSJM-IBGZPJMESA-N 349.434 4.042 0 40 EIAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1 20141894 JHZDYFXSLJUWMK-CYBMUJFWSA-N 327.380 4.123 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 22906877 OBNDPZBXRVPIEQ-UHFFFAOYSA-N 342.398 4.469 0 40 EIAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 23115713 KTPRHHIZLDSJIG-KRWDZBQOSA-N 348.446 4.083 0 40 EIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C)cc2Cl)cc1 23125558 AYOZFZBNDZTOKP-UHFFFAOYSA-N 341.802 4.071 0 40 EIAB CCOc1ccccc1CCC(=O)Nc1ccccc1OC(F)F 25722601 HGDXLWRFWSRRFD-UHFFFAOYSA-N 335.350 4.258 0 40 EIAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)cc1 27662596 SCDMLAUWFYDYBL-CYBMUJFWSA-N 328.412 4.083 0 40 EIAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1 27992279 YMPPMNXZVCIVJX-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB O=C(Nc1cccc(OC2CCCC2)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 29070095 VZEWQOATONQDIR-XYPWUTKMSA-N 341.451 4.342 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)COc3cccc(C)c3C)c2)n1 31802670 MXVRLSIQGAHUQA-UHFFFAOYSA-N 347.418 4.086 0 40 EIAB COC(=O)c1c(COCc2ccc3ccccc3c2)cccc1OC 35973506 VBTBUPKTFLXFFN-UHFFFAOYSA-N 336.387 4.352 0 40 EIAB COc1ccc(-c2ccc(SCc3cn4ccccc4n3)nn2)cc1 36652410 CJYAZXCYIJXILJ-UHFFFAOYSA-N 348.431 4.092 0 40 EIAB CCC(CC)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 40080536 DYHDWUNVJOCVDY-UHFFFAOYSA-N 330.453 4.261 0 40 EIAB Cc1ccc(-c2n[nH]cc2CNCc2cccc(C(F)(F)F)c2)o1 40088650 OYSAGXMKYLXJPZ-UHFFFAOYSA-N 335.329 4.287 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1 40478423 UAAVCQWAQYHKIP-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB CCCCOc1cccc(C(=O)NCCOc2cccc(C)c2C)c1 41156622 SOCZVPFOQFCTKN-UHFFFAOYSA-N 341.451 4.291 0 40 EIAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccccc1F 43277825 XSAVQCYSKIRZPZ-UHFFFAOYSA-N 341.405 4.254 0 40 EIAB CN(Cc1ccsc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 44308317 BORYDTSNTSLPQU-UHFFFAOYSA-N 327.409 4.431 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@@H]1CCCc2ccccc21 48201779 FADGPLIBQVIEAG-LJQANCHMSA-N 345.402 4.328 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1cccs1 48301571 ZPKAJNGDUNZWFP-GJZGRUSLSA-N 328.437 4.118 0 40 EIAB Cc1cc(CNc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)no1 57841839 WVPJUGTYRDLSAV-ZIAGYGMSSA-N 341.455 4.022 0 40 EIAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1CC1CCCCC1 58316391 JMAANKIGSCIGSK-MRXNPFEDSA-N 338.451 4.103 0 40 EIAB CC[C@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 58412824 VVGVNWDKCJRHEI-ZDUSSCGKSA-N 329.450 4.399 0 40 EIAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCCC2)cc1 63445778 MVZTXTPIYSPVPM-UHFFFAOYSA-N 342.464 4.360 0 40 EIAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1sccc1C1CC1 65552419 CZBRSWMHCCIXDO-UHFFFAOYSA-N 340.448 4.000 0 40 EIAB O=C(Nc1cccc(SC(F)F)c1)c1cc2ccccc2c(=O)[nH]1 66782650 ZPLVVRSWFTWTKO-UHFFFAOYSA-N 346.358 4.095 0 40 EIAB O=C(C[C@H]1CCCO1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 71851768 CSLDWAFGRYQFGK-MRXNPFEDSA-N 342.464 4.197 0 40 EIAB Cc1cccc(Oc2ccc(NC(=O)N(C)Cc3cnccn3)cc2)c1 71910904 LRSRJWAFRLJFKG-UHFFFAOYSA-N 348.406 4.241 0 40 EIAB c1ccc(CN2CC[C@H](NCc3ccco3)[C@H](c3ccccc3)C2)cc1 72341588 FCRZKCYWZIJWKU-GOTSBHOMSA-N 346.474 4.428 0 40 EIAB COc1ccc([C@H](NC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1 75956337 DOMVSHCGRSCDOX-LJQANCHMSA-N 339.439 4.034 0 40 EIAB Cc1csc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1 85562187 JFRLBSQMVWYFNE-HNNXBMFYSA-N 349.502 4.191 0 40 EIAB CCOc1ccccc1C1=CCN(C(=O)Nc2cnccc2C)CC1 89279428 WNGZRPDDHOBKCT-UHFFFAOYSA-N 337.423 4.110 0 40 EIAB COc1cc(Nc2cc(C(C)C)nc(C(C)C)n2)cc(OC)c1OC 89893319 IPXQYJGNSNQRRW-UHFFFAOYSA-N 345.443 4.493 0 40 EIAB CCOc1cc(Cl)ccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 89990953 RYWMFYWOEXKGTA-CQSZACIVSA-N 348.834 4.221 0 40 EIAB O=C(CC1CCSCC1)N1CCC[C@H]1c1ccc(F)c(F)c1 95416940 BPJSIKBWSQPFFG-INIZCTEOSA-N 325.424 4.162 0 40 EIAB O=C(NCCc1cc2ccccc2[nH]1)c1c(Cl)cccc1Cl 95430146 OULIDMITRCJURM-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB CCCOc1cccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c1 95984721 WWARQCTVYDOQEV-QGZVFWFLSA-N 342.443 4.184 0 40 EIAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)no1 95998842 WPJGLMPFZRYDET-CQSZACIVSA-N 334.807 4.181 0 40 EIAB Cc1nn(-c2ccccc2)c2c1CN[C@H](c1ccccc1)c1cccn1-2 96077917 HJNYEWOKIPVJSM-OAQYLSRUSA-N 340.430 4.164 0 40 EIAB Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(Cl)cc1 100163449 HLDNTBDDSZYDMO-VLGSPTGOSA-N 332.812 4.050 0 40 EIAB COc1ccc(N/C=C2/Sc3cc(Cl)ccc3NC2=O)cc1 100363692 WKBODZAGYCZAKJ-OQLLNIDSSA-N 332.812 4.346 0 40 EIAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1c(F)cccc1Cl 106733568 KTCGMSQWFAWPFI-ZSOIEALJSA-N 348.786 4.111 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)c(C)c1 223517348 LFGHNJSMGJOMEI-APWZRJJASA-N 341.451 4.347 0 40 EIAB Cc1ccccc1OCCNC(=O)CCCOc1ccc(Cl)cc1 224145032 PBETXAMXBAIPSZ-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc3c(c2)CCCC3)cc1Cl 224194016 JDOLHVBXDWAGMK-UHFFFAOYSA-N 343.854 4.336 0 40 EIAB Nc1ccc(Nc2cccc(Cl)c2Cl)c(C(=O)NC2CC2)c1 225474762 JSDZRHFTWFKJPX-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB CN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)c1ccccc1 226303833 HBPALNFHOJHHRP-UHFFFAOYSA-N 326.783 4.459 0 40 EIAB CCCn1nccc1-c1cc([C@@H]2CCCN2C(=O)C(C)(C)C)ccn1 257278104 OAUMGQIHWNUPIC-KRWDZBQOSA-N 340.471 4.065 0 40 EIAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)ccc1O 409096678 GJRZOYVAPCDPNA-ZSOIEALJSA-N 348.221 4.240 0 40 EIAB Cc1ccc(N2C(=O)C/C(=C\C=C(/Cl)c3ccccc3)C2=O)cc1 618256486 JDEQWXHRPPMTQQ-PXOAPQIOSA-N 337.806 4.465 0 40 EIAB O=C(c1cccc(Br)c1)N1CC[C@@H](c2cccs2)C1 820305019 GJLNCEUUKFDMCE-GFCCVEGCSA-N 336.254 4.140 0 40 EIAB CC1=Nc2ccccc2C12CCN(C(=O)[C@H](C)c1cccc(O)c1)CC2 823806012 TYSKMDXFJODKGF-OAHLLOKOSA-N 348.446 4.162 0 40 EIAB CCSc1nnc(COc2cccc(C)c2)n1-c1ccccc1 422439 VNAKCZIUVCNNGR-UHFFFAOYSA-N 325.437 4.267 0 40 EIAB O=Cc1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12 578835 MGNCUCBNWBFDNM-UHFFFAOYSA-N 332.172 4.404 0 40 EIAB N#CC(C#N)=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21 1320732 PSFUCCUGOYNZOK-UHFFFAOYSA-N 335.366 4.187 0 40 EIAB CCOC(=O)c1c(COc2ccccc2)oc2ccc(OC)cc12 1441100 WBSXQGHHXMDDLC-UHFFFAOYSA-N 326.348 4.197 0 40 EIAB O=Cc1cc(CCCCCCc2ccc(O)c(C=O)c2)ccc1O 2022139 MDKDMSQAAIEAOC-UHFFFAOYSA-N 326.392 4.068 0 40 EIAB CSc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1 2662947 OLJIKNMIKDBRJW-UHFFFAOYSA-N 338.476 4.136 0 40 EIAB CCCOC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 3136176 FBPVNUXEOLYWAC-LGMDPLHJSA-N 343.810 4.064 0 40 EIAB COc1ccc(NC(=O)[C@@H](NCC(C)C)c2ccccc2)cc1Cl 3281100 RBXRGENTOVGZCS-SFHVURJKSA-N 346.858 4.274 0 40 EIAB CCc1cccc(C)c1NC(=O)/C=C/c1cc(OC)ccc1OC 3331895 QPJUVGVDJPEWLV-FMIVXFBMSA-N 325.408 4.227 0 40 EIAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 3423025 YFPTZKISEFMOIE-OAHLLOKOSA-N 326.396 4.413 0 40 EIAB CCCCCOc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1 3656273 KNYWLSWJVDTTRW-UHFFFAOYSA-N 342.439 4.189 0 40 EIAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(N)=O)cc1 3851813 LKRCOUPMEPHNEE-FQEVSTJZSA-N 345.402 4.078 0 40 EIAB biogenic Cc1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)cc1 4372199 GFDKHJIWGKGHRQ-UHFFFAOYSA-N 339.464 4.275 0 40 EIAB Fc1ccccc1-c1nn2c(-c3cccc(Cl)c3)nnc2s1 4664963 DZEMKGIXIZWDRE-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Cc1cc(Nc2ccccc2C(N)=O)c2ccc(C(F)(F)F)cc2n1 5520770 JHCJAOVNCUQHNM-UHFFFAOYSA-N 345.324 4.405 0 40 EIAB Cc1ccc2nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c2c1 5626048 FTIIENILMRGHDI-UHFFFAOYSA-N 337.398 4.030 0 40 EIAB O=C(COc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 6154077 YVJHVWGBOKPRPK-UHFFFAOYSA-N 343.386 4.247 0 40 EIAB CCCCc1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 6235480 BOIBALWRZYBMBR-UHFFFAOYSA-N 347.484 4.330 0 40 EIAB COc1ccc(-c2cn3cc(-c4ccc(OC)cc4)n(C)c3n2)cc1 6309535 FSDDTFSEJBMHFJ-UHFFFAOYSA-N 333.391 4.024 0 40 EIAB COc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(F)cc32)cc1 6973440 URKPEZUVGIRJFZ-UHFFFAOYSA-N 345.377 4.268 0 40 EIAB CCCc1n[nH]c(=S)n1NCc1c(OCC)ccc2ccccc12 7601373 MTGMRFTZCSFVAA-UHFFFAOYSA-N 342.468 4.189 0 40 EIAB CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cccs1 7614177 IQCRHDNXKYVFQG-UHFFFAOYSA-N 336.888 4.479 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCCc2ccccc21 7813354 AAJSZXDJUNZOLN-UHFFFAOYSA-N 331.419 4.082 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)oc1C 8300265 KFKXOCAKMNVOPE-OAHLLOKOSA-N 336.391 4.364 0 40 EIAB Cc1cnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 8511378 FTYNSKOZTCRGOR-UHFFFAOYSA-N 338.432 4.060 0 40 EIAB CC(C)c1ccc([C@@H](NC(=O)NCc2ccncc2)C(C)C)cc1 9761032 QVDHTLPETIDYML-IBGZPJMESA-N 325.456 4.402 0 40 EIAB CCc1ccc(Oc2ccc3nnc(-c4ccccc4OC)n3n2)cc1 12321073 HJONETFZUZHQOY-UHFFFAOYSA-N 346.390 4.155 0 40 EIAB O=c1[nH]c2ccc(OCc3ccccc3)cc2c(O)c1-c1ccccc1 12376549 CZIICUJFBWSQSD-UHFFFAOYSA-N 343.382 4.480 0 40 EIAB biogenic,in-vitro Cc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12602356 ZHXPFHPEIGJPSS-TZZQJPOUSA-N 331.419 4.248 0 40 EIAB CCOCc1c(C(=O)Nc2ccc(N(C)C)cc2)oc2ccccc12 12786530 XAVUHMBNADHBET-UHFFFAOYSA-N 338.407 4.288 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1cccnc1SCC(F)(F)F 12926125 FEEMQYZWZSEPQB-UHFFFAOYSA-N 348.296 4.267 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(C)c(F)c1)O[C@H](C)C2 12995556 OWAXWOPIGSKANU-GFCCVEGCSA-N 329.371 4.109 0 40 EIAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13671621 RRSLSZQBSGWMOP-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3F)cc12 16053442 CKLTZEGLZIJFAS-UHFFFAOYSA-N 345.443 4.131 0 40 EIAB CC(C)c1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 19453178 ZGDBXAOBXGOUQP-LJQANCHMSA-N 348.450 4.245 0 40 EIAB Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 19736361 CUNVJMDHZKRWQF-JTQLQIEISA-N 339.222 4.290 0 40 EIAB O=C(C[C@H]1Cc2c(ccc3ccccc23)OC1=O)c1ccc(F)cc1 19894556 MVOQZPGGDQAQLV-OAHLLOKOSA-N 334.346 4.330 0 40 EIAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1c(F)cccc1F 21669269 FOSCTYDJQAMRAZ-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ccccn2)cc1OCC 21893744 FCYNWULVFLJEPN-UHFFFAOYSA-N 334.803 4.175 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 22121362 DIYUYRDISDPOKF-UHFFFAOYSA-N 328.441 4.302 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1Cl 22527199 IEZYUNDORQJUGH-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB CCOc1cccc2cc([C@H](C)NC(=O)c3n[nH]c4ccccc34)oc12 25139527 CUAKAHKUGCMBPV-LBPRGKRZSA-N 349.390 4.199 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccccn1 26184231 VUBBMOLOCAQSIO-NHYWBVRUSA-N 347.871 4.332 0 40 EIAB Cc1ccc(C)c(Nc2nc(Nc3ccccc3)nc3c2cnn3C)c1 27666428 GVDJAECSXWGTBD-UHFFFAOYSA-N 344.422 4.467 0 40 EIAB CCc1cccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 32933508 WCEBSJGMLWXEPN-UHFFFAOYSA-N 339.361 4.472 0 40 EIAB C[C@@H](Cc1ccco1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 33208340 SMXPQSWOCXFJGI-AWEZNQCLSA-N 331.843 4.492 0 40 EIAB CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)C(C)(C)C)n2)c1C 36614183 JQIFWPFLZLDKSR-NSHDSACASA-N 337.418 4.453 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 36760035 XAZFLYJNDNMXEF-SFHVURJKSA-N 340.398 4.255 0 40 EIAB COC(=O)c1cc2c(C(F)(F)F)cc(-c3cccs3)nc2[nH]1 37593664 XHIDSUTYCKJNGS-UHFFFAOYSA-N 326.299 4.097 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)c(OC)c1 44848098 PPRXZHGBXGDDKW-CQSZACIVSA-N 349.814 4.153 0 40 EIAB CC(C)[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1 45673251 BZHQSIZTKLVDBV-FQEVSTJZSA-N 349.434 4.039 0 40 EIAB COc1ccc(CN[C@H](C)c2ccc(Cl)s2)c(OC)c1OC 46837475 LAOHZYIPHZJICH-SNVBAGLBSA-N 341.860 4.278 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)[C@H](c1ccccc1)n1cccc1 49030866 SVJJPDRVRHKMOY-KRWDZBQOSA-N 337.448 4.052 0 40 EIAB c1ccc2cc(OCCOc3ccc(-c4nnco4)cc3)ccc2c1 58016234 SAILYSGEADIDOI-UHFFFAOYSA-N 332.359 4.348 0 40 EIAB COCc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 69698189 LWTSWQREYHHWPD-HXUWFJFHSA-N 347.418 4.139 0 40 EIAB Cc1noc(C(C)C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1 69709954 VAPCRWSVWOHHNE-UHFFFAOYSA-N 344.802 4.198 0 40 EIAB CC1CCN(c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)CC1 69981151 DBVJIFZKCAGONM-UHFFFAOYSA-N 341.480 4.173 0 40 EIAB C[C@H](SC(=O)N(CCc1ccccc1)Cc1ccccc1)C(=O)O 70503716 YMNUSPBWHMCBFT-HNNXBMFYSA-N 343.448 4.058 0 40 EIAB C[C@H](NC(=O)N1CCC(OCC2CC2)CC1)c1cccc(Cl)c1 76084556 QSPXLRPIPYYXTE-ZDUSSCGKSA-N 336.863 4.002 0 40 EIAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc2cnccc12 79100227 BUUQRDQFVAIUHT-AWEZNQCLSA-N 335.407 4.035 0 40 EIAB OC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](C(F)(F)F)SC1 79495252 MDCYRLZGWSSKCO-JTQLQIEISA-N 335.351 4.032 0 40 EIAB O=C(O)Cc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl 89813872 USBQKFBJUWBACZ-UHFFFAOYSA-N 342.153 4.012 0 40 EIAB c1cc2c(cc1[C@@H](NCc1csc(C3CC3)n1)C1CC1)OCCO2 95396764 XDQQYSVFBZKDJR-SFHVURJKSA-N 342.464 4.033 0 40 EIAB CCc1ccc(-c2nc(C[S@@](=O)Cc3ncc(C)o3)cs2)cc1 95409612 HPQDMUCYMBLMIH-QHCPKHFHSA-N 346.477 4.118 0 40 EIAB CCC(CC)n1ccc(C(=O)Nc2ccccc2CN2CCCC2)n1 95428584 KVUXZLHJPOJJFC-UHFFFAOYSA-N 340.471 4.092 0 40 EIAB CC1(C)Oc2ccc(NC(=O)N3CCC(C(F)(F)F)CC3)cc2O1 96434319 VEDGGRDNCTZCMU-UHFFFAOYSA-N 344.333 4.000 0 40 EIAB O=C(NCc1cccc(-n2ccnc2)c1)c1c(Cl)cccc1Cl 96446792 KCXIYCGVTVHMBL-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc(Cl)c1 138987226 ZZHXRPSKPPWESU-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB c1ccc(-c2cnc(Nc3cc(C[C@H]4CCNC4)ccn3)s2)cc1 143325966 XBONBWPSZFGBJS-OAHLLOKOSA-N 336.464 4.101 0 40 EIAB Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(C)CC(F)(F)F 187805025 VMIKMMYIHGFIGF-UHFFFAOYSA-N 345.365 4.006 0 40 EIAB CC[C@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)c1ccccc1 206849789 ZEGAVYWLAAXUGM-MAUKXSAKSA-N 331.843 4.338 0 40 EIAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1)N2 209800875 IILXLVWUFWWZRZ-LSTHTHJFSA-N 337.419 4.498 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(OC)c1 223084546 XOHFUBCVWKSYSN-HXUWFJFHSA-N 339.435 4.370 0 40 EIAB Cc1c(Cl)cnc(NC(=S)NC2CCCC2)c1Br 224033664 CXGMIBXFDZKLRT-UHFFFAOYSA-N 348.697 4.035 0 40 EIAB COCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 224398018 WRIGUWHQYPNWKL-UHFFFAOYSA-N 339.313 4.113 0 40 EIAB S=C(Nc1ccc(Br)cn1)NC1CCCCCCC1 225194815 YWROEPGYSYTKDD-UHFFFAOYSA-N 342.306 4.243 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)c(C)c1 225629246 PASUBYDHMJEUGP-UHFFFAOYSA-N 337.419 4.303 0 40 EIAB Cc1cc(C)c(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C 225646360 KXFDTRYWZWPVJN-UHFFFAOYSA-N 333.435 4.036 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(OC)c(OC)c1 225717642 DARCBMGSILBOCA-MRXNPFEDSA-N 344.480 4.450 0 40 EIAB CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 257322163 WEVBRBBICASEQX-HNNXBMFYSA-N 341.430 4.389 0 40 EIAB Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3CC(C)C)cc1 585157937 RFEBWQKTBWEWDC-SFHVURJKSA-N 346.434 4.251 0 40 EIAB c1ccc(-c2cnc(Nc3ccc(C[C@H]4CCNC4)cn3)s2)cc1 585262927 PSUGMEBVVPSBSG-OAHLLOKOSA-N 336.464 4.101 0 40 EIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H](c2ccccc2)C1 1129092910 XFAAXPDWYYXYDX-HXUWFJFHSA-N 330.431 4.497 0 40 EIAB O=C(NCC1CCCCC1)c1csc(-c2c(F)cccc2F)n1 1524662716 CGYXCTPJDBMCTI-UHFFFAOYSA-N 336.407 4.398 0 40 EIAB COc1cccc(CC2CCN(C(=O)C3CCC4(CC3)CC4)CC2)c1 1635696312 ZATIUUGEDFQOBQ-UHFFFAOYSA-N 341.495 4.447 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 127467 OVEZUDMTMBOSLP-GFCCVEGCSA-N 343.448 4.302 0 40 EIAB CC(C)COc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 215797 RHVCTAICMDAACR-UHFFFAOYSA-N 343.452 4.126 0 40 EIAB [O-][n+]1cc(SCc2ccccc2)ncc1SCc1ccccc1 1638553 NDGMCJHJWJXRMY-UHFFFAOYSA-N 340.473 4.300 0 40 EIAB CCOC(=O)CC(C(=O)OCC)=C(c1ccccc1)c1ccccc1 1684912 AQAGLGRUHUYCPH-UHFFFAOYSA-N 338.403 4.005 0 40 EIAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 3279329 SJFGJSSBEVIGBV-UHFFFAOYSA-N 347.370 4.274 0 40 EIAB COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 3547317 TXUHTNGVHZZDRA-UHFFFAOYSA-N 329.827 4.087 0 40 EIAB CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5215492 MPGFHMWXMINLQJ-PKOBYXMFSA-N 342.439 4.448 0 40 EIAB COCCn1cc(NC(=O)Nc2ccc(F)cc2F)c2ccccc21 5266521 ZPINPNVURJWTQM-UHFFFAOYSA-N 345.349 4.210 0 40 EIAB C[C@@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2ccccc2)o1 5316373 WGAQCTJWGITGHJ-SNVBAGLBSA-N 340.364 4.233 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(F)c1)CO3 5516029 LORQVJZEKILVSK-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB CC(C)(C)[C@@H](OC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 5714647 VCBDMHXCXZSWNR-IBGZPJMESA-N 326.392 4.288 0 40 EIAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccco2)n1-c1ccccc1 5887336 HETDPLLKMRKGKD-INIZCTEOSA-N 339.420 4.131 0 40 EIAB c1csc(-c2nc(CSc3nnc4n3CCCCC4)co2)c1 6097368 OPIINUBVAJXPTR-UHFFFAOYSA-N 332.454 4.013 0 40 EIAB O=C(COc1c(F)c(F)cc(F)c1F)C12CC3CC(CC(C3)C1)C2 6119759 NEOGFEWINCUHBD-UHFFFAOYSA-N 342.332 4.407 0 40 EIAB Cc1ccc2cc(CN(C(=O)C(C)C)c3ccccc3)c(=O)[nH]c2c1 6522044 ZRDQHINRBSVYSM-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB Cc1ccc(NC(=O)CNCCCSc2ccccc2)cc1C 6559588 SDZBTPGLLVSEDN-UHFFFAOYSA-N 328.481 4.014 0 40 EIAB CCOc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1OC 7975579 DNXXQPQDDPAEKS-UHFFFAOYSA-N 336.391 4.203 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 9367039 PIRGNRSDKDBNQA-HNNXBMFYSA-N 349.434 4.020 0 40 EIAB Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)cc(=O)oc2c1 9704939 NVLLDPVGVZTRLV-UHFFFAOYSA-N 341.794 4.244 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C(F)(F)F)C2)c(C)c1 11218000 XXPZMIDMEJXTEW-CABCVRRESA-N 342.405 4.213 0 40 EIAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cn1)CCCC3 12139795 QNDMUNYJHYBMMM-UHFFFAOYSA-N 349.868 4.037 0 40 EIAB CC(C)(C)c1ccc(OC[C@H](O)CN2CCCC2)c(C(C)(C)C)c1 12421491 TUMCWCZQZXIOFD-QGZVFWFLSA-N 333.516 4.117 0 40 EIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@H](c1ccccc1)C1CC1 12920312 ITCSDVODKBYDCW-YDYPUGOESA-N 343.430 4.153 0 40 EIAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)s1 12939406 ADCUXVZXRAZCQJ-UHFFFAOYSA-N 344.417 4.161 0 40 EIAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(O)c1 12947488 QUKATRRRASJNGP-UHFFFAOYSA-N 330.434 4.067 0 40 EIAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccco1 14257747 ULALEVXYXCPSJP-UHFFFAOYSA-N 348.733 4.079 0 40 EIAB O=c1c2sc(-c3ccccc3)cc2ncn1CCOc1ccccc1 14366073 XTQLPPGVSDFNFA-UHFFFAOYSA-N 348.427 4.204 0 40 EIAB Cc1ccccc1C[C@@H]1C(=O)N(C)c2ccc(Br)cc21 15017825 PPEQVKDLVZQQBZ-HNNXBMFYSA-N 330.225 4.060 0 40 EIAB COc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccco1 17742665 GOZDXWYNAMTZCT-UHFFFAOYSA-N 326.352 4.116 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 19344802 QJOVCJJHENTKLT-CQSZACIVSA-N 345.468 4.084 0 40 EIAB c1ccc([C@@H]2CCN(Cc3c([C@@H]4CCCO4)[nH]c4ncccc34)C2)cc1 19369988 HYQUVPAWVMLCGI-XLIONFOSSA-N 347.462 4.404 0 40 EIAB Cc1c(CN2CCn3cccc3[C@H]2C(C)C)cnn1Cc1ccccc1 19554542 GAECTOKSTGYTDA-JOCHJYFZSA-N 348.494 4.254 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3ccc(C)cc3)ccc2s1 20025366 TXMDZIVXOUZJPE-UHFFFAOYSA-N 325.389 4.249 0 40 EIAB COc1ccc(NC(=O)c2ccc(C)cc2)cc1-c1ccc(CO)o1 20137522 GAGWSSNERGNPLD-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB O=C(O)c1cc2ccccc2n1Cc1ccccc1Br 20555627 USMYKUQHCZUWPD-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB COc1cccc(NC(=O)c2cccnc2Nc2cccc(C)c2)c1 22072109 DUESWYHSKNWTEL-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1 23079233 QGRSQOIMEXUHRM-NSHDSACASA-N 345.449 4.059 0 40 EIAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 25241176 LYYKCPQIURJQOZ-UHFFFAOYSA-N 345.830 4.256 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)no1 27740244 DMXYWGRRPGNRIE-KRWDZBQOSA-N 340.354 4.277 0 40 EIAB COc1cccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 27799444 BVLRYRJXZLLOPJ-UHFFFAOYSA-N 339.313 4.165 0 40 EIAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 29483085 RGNUVCUDMUGFKT-QGZVFWFLSA-N 348.368 4.263 0 40 EIAB C[C@@H](CNC(=O)c1ccccc1OCc1ccncc1)c1ccccc1 32084253 SSVAIBSRBMJUPT-KRWDZBQOSA-N 346.430 4.194 0 40 EIAB CN(C)C(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127679 BSILDISRRJAXPV-UHFFFAOYSA-N 349.217 4.432 0 40 EIAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(Cl)cc1Cl 44886238 RTZRJCYDFVGWRK-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(OC(F)F)c1 46640217 WESDJEDLJLEBAI-SNVBAGLBSA-N 348.374 4.389 0 40 EIAB COc1ccc(C)cc1[C@H](C)NCc1c(Cl)nc2ccccn12 48260473 KOPAGVNVQIFKIZ-ZDUSSCGKSA-N 329.831 4.156 0 40 EIAB CN(Cc1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 50346790 BEWMHLPWSRIQLA-VAWYXSNFSA-N 349.459 4.431 0 40 EIAB COc1cccc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)c1 58282223 RUDBOMUORPUAGQ-QFIPXVFZSA-N 328.355 4.163 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCCOc1ccccc1Cl 59475207 OXMLKEJLXQCINL-MDZDMXLPSA-N 336.218 4.202 0 40 EIAB COc1cc2ccccc2c(Br)c1C(=O)N1CCCCC1 59843553 IGNUMWLWXVQRSU-UHFFFAOYSA-N 348.240 4.237 0 40 EIAB Cc1cc(C)c(-c2nnc(S[C@H](C)c3nnc(C)o3)o2)c(C)c1 69581375 GBGGQLPPTICPEI-LLVKDONJSA-N 330.413 4.207 0 40 EIAB COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 83943821 AOBGNMLTZIDGHZ-MJQMVNBJSA-N 341.838 4.124 0 40 EIAB COCCN(Cc1ccoc1)C(=O)Nc1ccc(C(C)(C)C)cc1 85474504 YJHMFRUSFFWFSM-UHFFFAOYSA-N 330.428 4.258 0 40 EIAB Cc1ccc(-c2csc(NC(=O)C3SCCS3)n2)c(C)c1 89614511 RUBHRUNNJDTSJP-UHFFFAOYSA-N 336.507 4.172 0 40 EIAB CC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 95419434 YKLOBPSZXMXIHS-MGPUTAFESA-N 348.450 4.004 0 40 EIAB Cc1csc(-c2cccc(C(=O)N[C@H]3CCO[C@H](C(C)C)C3)c2)n1 95459013 RKDUDMXRIAJLKD-IRXDYDNUSA-N 344.480 4.052 0 40 EIAB CC[C@H](CC1CCCC1)C(=O)Nc1cccc(N2CCOC2=O)c1 95959711 FWWMRJAAQSOPBC-OAHLLOKOSA-N 330.428 4.188 0 40 EIAB C[C@H](CN[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccsc1 95968800 DWMLYWVSPXOKBK-KGLIPLIRSA-N 330.453 4.159 0 40 EIAB C[C@H](C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1)C1CCOCC1 95975093 NBCSYOXXVPFDFF-QLFBSQMISA-N 337.891 4.353 0 40 EIAB COc1cccc(CCCN2CCC(CCCn3ccnc3)CC2)c1 96008654 DDLVYXCZJWQPHS-UHFFFAOYSA-N 341.499 4.017 0 40 EIAB C[C@H](Cc1ccccc1)CN1CCC(C(=O)Nc2ccccc2)CC1 96013592 HJTWQVVMOKSKTB-GOSISDBHSA-N 336.479 4.216 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCc2ccc(F)cc21 96415480 SLSXEHYXQSQGKV-MSOLQXFVSA-N 327.403 4.001 0 40 EIAB C[C@@H](COc1ccc(F)c(F)c1)Nc1cccc(Cn2cccn2)c1 97037367 BMVWXKOIZZKWDS-AWEZNQCLSA-N 343.377 4.089 0 40 EIAB CCOC(=O)[C@@](F)(c1ccc2cc(OC)ccc2c1)C(F)(F)F 98174841 KQKFZNQHSZFLNK-HNNXBMFYSA-N 330.277 4.139 0 40 EIAB O=C(Cc1ccsc1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166652 FYOJEFVUGHMXKV-ROUUACIJSA-N 329.440 4.367 0 40 EIAB CCNc1c(NC(=O)Nc2cccc(F)c2)c(=O)oc2ccccc12 101096652 YNNZJKMACAATCS-UHFFFAOYSA-N 341.342 4.008 0 40 EIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(SC)cc1 107685873 HQYWGOQOBXGBIE-OAHLLOKOSA-N 346.477 4.176 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C2CC2)CC1 195212708 WOOMDCXGRZSDQB-UHFFFAOYSA-N 346.780 4.172 0 40 EIAB CC[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2 223129090 RTUQWSSLIVULPV-MRXNPFEDSA-N 335.494 4.057 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224186629 DRWQTOAZFYRZIU-UHFFFAOYSA-N 347.842 4.164 0 40 EIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 224323199 TZFUCTYXUXRPRJ-RTBURBONSA-N 349.459 4.414 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C 224444456 OBGHGQAJLPEARA-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225076742 CUWJBXKZPPMRCV-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB COc1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225088797 ZCIVIJXGFOFHMR-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB Fc1ccc(COc2cccc(C(=S)NCc3ccco3)c2)cc1 408573274 JOMUCKNSVRZAIU-UHFFFAOYSA-N 341.407 4.463 0 40 EIAB COc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 260887 IWNWEZOYGAMJBI-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@H]1C2 352964 IHNZRJWSQGNGQN-FVMDXXJSSA-N 326.223 4.327 0 40 EIAB Cc1cc(C)nc(SCC(=O)Nc2c(Cl)cccc2Cl)n1 573972 PQTQWXIXBGOMFE-UHFFFAOYSA-N 342.251 4.131 0 40 EIAB O=C(c1cccs1)N1CCN=C1SCc1ccccc1Cl 4120288 DPAULBXIKZKODL-UHFFFAOYSA-N 336.869 4.147 0 40 EIAB Cc1cc(C)c2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1 4215250 WUXBLJSKRUGCBA-UHFFFAOYSA-N 341.436 4.187 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385035 SISXMXSDJSQZBR-CYBMUJFWSA-N 339.826 4.230 0 40 EIAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccccc1F 4854252 POSJTEIBHJIUNS-IBGZPJMESA-N 341.430 4.075 0 40 EIAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2C)c1 5583605 DVRFUKMZXHJFAB-UHFFFAOYSA-N 342.464 4.219 0 40 EIAB COc1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 5681109 SDMKEOQAYSDQRK-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB Cc1cnc(C(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cn1 6052805 FAEBGDQTSJGFEC-UHFFFAOYSA-N 348.446 4.472 0 40 EIAB c1ccc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)cc1 6178482 QQPVOGUAJDTSAT-UHFFFAOYSA-N 340.433 4.481 0 40 EIAB c1ccc(CSc2nccc(-c3cnc4ccccc4n3)n2)cc1 6344321 WNYFWJXTEQVKBG-UHFFFAOYSA-N 330.416 4.379 0 40 EIAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 7928707 KBJVEJXLQQUQRT-HZPDHXFCSA-N 337.419 4.159 0 40 EIAB Cc1cccc(C)c1OCC(=O)N(Cc1ccco1)Cc1ccco1 8613790 PZWQQPSLEJLPGP-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB CCN(CC)c1ccc2nc(C)c(CN3CCCCC3)c(O)c2c1 8717365 PCEJDRUUSBCEAX-UHFFFAOYSA-N 327.472 4.081 0 40 EIAB Cc1ccc(NC(=O)c2oc3c(c2C)[C@H](O)CC(C)(C)C3)c(C)c1 8990337 NDTQVQCGDXFEGI-OAHLLOKOSA-N 327.424 4.463 0 40 EIAB O=C(Cc1c(-c2cccs2)[nH]c2ccccc12)NCc1ccco1 9531303 MMSOKYIIPACDBK-UHFFFAOYSA-N 336.416 4.348 0 40 EIAB Cc1cc(C)c(CNC(=O)c2ccc(C(C)C)cc2C(C)C)c(=O)[nH]1 10458836 GPCCWXMRZLCQFM-UHFFFAOYSA-N 340.467 4.169 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)n1cccc/c1=N\C1CCCCC1 10814633 HPKVZODGPPUYBW-BSYVCWPDSA-N 333.435 4.086 0 40 EIAB COc1cccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)c1 11847335 YQESEIFTUYGCAB-QZQOTICOSA-N 348.427 4.143 0 40 EIAB O=c1c2sc3c(c2ncn1Cc1ccc(Cl)cc1)CCCC3 12389780 FRPARUPXLNHWLW-UHFFFAOYSA-N 330.840 4.039 0 40 EIAB CC(C)c1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2)cc1 12913483 TZUBGIYRPVHHGZ-IQMFZBJNSA-N 329.465 4.086 0 40 EIAB O=C(O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 13094710 UUFRLZFNBOCDER-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2ccccc2)CC1 15628611 HZCSQGYONOCNRY-UHFFFAOYSA-N 341.263 4.017 0 40 EIAB COc1ccccc1[C@@H](C)NCc1c(C)nn(Cc2ccccc2)c1C 17314261 AAURNPGXRQSASU-MRXNPFEDSA-N 349.478 4.408 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 17325868 IPMUVEPAMQESID-IYBDPMFKSA-N 338.451 4.296 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1 20137370 KQEYWMVTSHEOJL-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 21347492 JDUMZNFRRKXVTK-QGZVFWFLSA-N 336.435 4.110 0 40 EIAB CCc1ccc([C@@H](CNC(=O)[C@H](CC)c2ccccc2)N(C)C)cc1 22684805 YQOMTSRWUYFXTA-NHCUHLMSSA-N 338.495 4.162 0 40 EIAB CCC[C@H](C)c1ccc(OCCCCCCN2CCNCC2)cc1 22870985 MVSIIQRGZVDOOK-IBGZPJMESA-N 332.532 4.435 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCCC2)cc1 27581876 XYLNAHVWRMFSGL-NRFANRHFSA-N 336.479 4.260 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2ccccc21 28643088 YNDWYUORORUDOR-UGSOOPFHSA-N 329.827 4.301 0 40 EIAB Cc1nc(-c2cccs2)ccc1C(=O)N(C)Cc1cccs1 31526273 HNBHLPHUDDLVFC-UHFFFAOYSA-N 328.462 4.452 0 40 EIAB O=C([C@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1ccccc1 32768419 QKALKGCCMRMKEZ-OAQYLSRUSA-N 329.399 4.224 0 40 EIAB Cc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35314245 UOYRWPIMYBCOKG-IHWFROFDSA-N 349.478 4.312 0 40 EIAB Cc1nc(-c2ccccc2)sc1CC(=O)Nc1ccc(Cl)nc1 44225954 YTRZIPPGMCOWJG-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1F 45989926 SKYASMMKGSLHJL-UHFFFAOYSA-N 328.318 4.082 0 40 EIAB COc1cccc(CC(=O)N(CCc2ccccc2)C2CCCC2)c1 58312078 KGNNTTBCGVWSIZ-UHFFFAOYSA-N 337.463 4.252 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2Cl)c1 71761726 WUHFAKPXYGSHGC-UHFFFAOYSA-N 338.791 4.075 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C 72214797 HQOAUVHRTRPPBU-INIZCTEOSA-N 333.476 4.388 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2ccc(F)cc2Cl)ccc1C 79101159 KVLOAEITDQHHNM-UHFFFAOYSA-N 335.766 4.390 0 40 EIAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCc2ccccc21 84539068 VRJPRDBFOAOUIU-JOCHJYFZSA-N 342.442 4.107 0 40 EIAB CCn1c(SCc2csc(-c3ccoc3)n2)nc2cnccc21 89305547 HCQCHXSUKKGQCB-UHFFFAOYSA-N 342.449 4.460 0 40 EIAB CCC[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccc(F)cc1F 89949724 FOXWNXKLQCXVDO-QGZVFWFLSA-N 333.382 4.043 0 40 EIAB O=C(c1ccc(Oc2ccccc2)nc1)N(CC1CC1)c1cccnc1 95424025 MAILTWIYUYBIHR-UHFFFAOYSA-N 345.402 4.326 0 40 EIAB CC(=O)N1CCCc2cc(NCc3cnc(C(C)(C)C)s3)ccc21 95428961 QPPIHHAKDIFIOJ-UHFFFAOYSA-N 343.496 4.352 0 40 EIAB Cc1nc(C(=O)Nc2ccncc2)c(-c2ccccc2Cl)s1 95480266 BVIUIILNIGMLMU-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB c1ccc2c(c1)OC1(CCCC1)C[C@@H]2NCc1cn2ccsc2n1 95967477 VFFHQRWNHCRVHV-INIZCTEOSA-N 339.464 4.322 0 40 EIAB CC(C)COc1ccccc1NC1CCN(C(=O)c2ccoc2)CC1 97045839 RZJXQLSDWOYIRY-UHFFFAOYSA-N 342.439 4.031 0 40 EIAB Cc1nc2ccccc2n1CCc1noc([C@@H](C)c2cccs2)n1 97377770 LXMWJOIPZFKMCH-LBPRGKRZSA-N 338.436 4.184 0 40 EIAB O=C1OC(c2ccccc2)(c2ccccc2)[C@@H]2C[C@@]12c1ccccc1 104193982 DHCYKQGURXPMHH-IRLDBZIGSA-N 326.395 4.445 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)NCc3cccs3)C2)cc1 206886869 FXFPGSNDCAFMBX-INIZCTEOSA-N 344.480 4.236 0 40 EIAB COc1cc(-c2nc3cc(C)cc(Cl)c3[nH]2)cc(OC)c1OC 216916353 WMOLWQHULCDALH-UHFFFAOYSA-N 332.787 4.218 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219317236 BGIBGKYWZGGYDF-PXNSSMCTSA-N 341.451 4.045 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1)CC(C)(C)O2 219489610 UMHHVOCKBHNIJK-MAUKXSAKSA-N 339.435 4.181 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 219499533 NSLWZLQPTNDXBT-AEFFLSMTSA-N 341.451 4.366 0 40 EIAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 224084172 YKTAZHWZKKXPTL-ZDUSSCGKSA-N 337.872 4.083 0 40 EIAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900364 PPLRWFDGTGDDCF-IFXJQAMLSA-N 334.460 4.103 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1ccccc1Cl)c1ccccc1 408977999 GPAGHNKCAMELPH-MRXNPFEDSA-N 346.814 4.156 0 40 EIAB CCCSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 409105617 NKMDLQMMNYIKKE-UHFFFAOYSA-N 325.437 4.445 0 40 EIAB CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 539434392 AQLSBNNENCGICH-MSOLQXFVSA-N 348.402 4.026 0 40 EIAB Fc1ccc(F)c(Sc2nn3cc(-c4cccnc4)nc3s2)c1 542974283 ULSAUNYULKIREV-UHFFFAOYSA-N 346.387 4.282 0 40 EIAB Cc1cc(C)c(Br)c(C(=O)N(C)Cc2cccc(O)c2)c1 545895973 UHOVEYDTPSEQNC-UHFFFAOYSA-N 348.240 4.044 0 40 EIAB CC1(C)Cc2c(cnn2-c2ccc(F)cc2)-c2nc3ccccc3nc21 141577 GSQAEXMDBAMETH-UHFFFAOYSA-N 344.393 4.455 0 40 EIAB Cc1cc2ccccc2nc1SCC(=O)N1[C@@H](C)CCC[C@H]1C 416338 NOLATKQENMGJET-GASCZTMLSA-N 328.481 4.425 0 40 EIAB O=C(Nc1ccccc1N1CCCC1)c1cccc(Br)c1 569748 IZSVBXRSJFSICO-UHFFFAOYSA-N 345.240 4.302 0 40 EIAB Cc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)c1 2209399 NLVMNUJERALHLX-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1Cl 2644042 PDGDJWXSIVDZAS-UHFFFAOYSA-N 326.783 4.233 0 40 EIAB CCN(C(=O)COc1ccc(C(C)=O)cc1)c1cccc2ccccc12 3424664 DELCKSFTUYLTNF-UHFFFAOYSA-N 347.414 4.474 0 40 EIAB Cc1cccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c1C 3541078 KXBHLDLCJOXJOL-UHFFFAOYSA-N 334.822 4.166 0 40 EIAB O=C(Cc1ccccc1)Nc1c(-c2ccc(F)cc2)nc2ccccn12 3906434 AINQBLWGUPFTJA-UHFFFAOYSA-N 345.377 4.322 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)cc1C 4224446 ZLYGQOCQYFRALP-UHFFFAOYSA-N 329.469 4.221 0 40 EIAB O=C(COc1cccc2ccccc12)NCCSc1ccccc1 5280884 BVVBFFRIXGTTTH-UHFFFAOYSA-N 337.444 4.127 0 40 EIAB O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 5604161 BFSIEXXLYRTAOP-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB CCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 6078148 NAGIGVPVCPXYHG-UHFFFAOYSA-N 327.472 4.075 0 40 EIAB Cc1cc(C)n2c(SCc3ccc(Cl)c(Cl)c3)nnc2n1 6172197 DYLIXZSTJBRZMK-UHFFFAOYSA-N 339.251 4.340 0 40 EIAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3ccccc3)oc2c1 6756503 WNYORVKBABCFFP-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB COc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 6886573 QZIBMHJAXBUXKH-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB CC(C)Nc1nnc(SCc2cc(-c3ccccc3)on2)s1 8723977 SFOFMZGODYGHDY-UHFFFAOYSA-N 332.454 4.306 0 40 EIAB Cc1ccc(CN(C)C(=O)NCc2coc(-c3cccs3)n2)cc1 9388889 KTHQTGHDRDISOG-UHFFFAOYSA-N 341.436 4.053 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 9721768 KTKYMFJXFQKATG-QGZVFWFLSA-N 338.407 4.135 0 40 EIAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCCC1 11565875 JJXBUACMEDBSCE-UHFFFAOYSA-N 339.501 4.082 0 40 EIAB Cc1oc(C2CC2)cc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116102 XFGUTCIZUJIZEF-KRWDZBQOSA-N 335.407 4.319 0 40 EIAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C1CC1)C3 12442473 XDLPMTOLPWVGMV-UHFFFAOYSA-N 333.387 4.083 0 40 EIAB biogenic Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)n1 12525526 UKRGSOZLBYBWIO-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB O=C(NCc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 12656575 JLQJJPSEKYIYPP-UHFFFAOYSA-N 335.194 4.191 0 40 EIAB Cc1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 12781240 PJBFFIDIIYEPJG-UHFFFAOYSA-N 335.403 4.290 0 40 EIAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(C)cccc1C(C)C 14739437 DCWFASKPVHZVPW-UHFFFAOYSA-N 345.464 4.083 0 40 EIAB COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 15538969 RZRWQOQRRFQWRU-INIZCTEOSA-N 338.432 4.282 0 40 EIAB Cc1nc(CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)cs1 15832312 VWQOFQZHRUMNDJ-UHFFFAOYSA-N 334.828 4.398 0 40 EIAB CSc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1 16259715 HODNVWRCFWXKEQ-UHFFFAOYSA-N 343.477 4.431 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)CSc1nc3ccccc3o1)C2 16743577 ZOJYAXVXZMFELB-VRHCTWJESA-N 344.480 4.251 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCCC3)cccc2c1=O 17320246 HQGGRZZPVOBAOV-UHFFFAOYSA-N 347.414 4.395 0 40 EIAB COc1ccc2[nH]c(C)c(CCNCc3ccc4ccccc4n3)c2c1 19798233 OOPLEEMKZGRLAN-UHFFFAOYSA-N 345.446 4.365 0 40 EIAB CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 20411964 BJCJXXSISFRSLQ-UHFFFAOYSA-N 340.379 4.251 0 40 EIAB Cc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2s1 20733688 MUNDWHFFKYPXKW-UHFFFAOYSA-N 335.432 4.059 0 40 EIAB biogenic CCc1nc(COC(=O)c2c(C)nc3ccccc3c2C)cs1 22746978 JSBRZTQOYMZAFU-UHFFFAOYSA-N 326.421 4.228 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)cc1 27384461 JIAYTLKVDREPMG-FIFPYPGSSA-N 336.435 4.175 0 40 EIAB CN(CC(=O)Nc1ccc2ccccc2c1)[C@@H]1CCc2ccccc21 29482972 MNSBBQOFSJMFRT-OAQYLSRUSA-N 330.431 4.398 0 40 EIAB C[C@H](CCc1ccco1)NC(=O)CCC(=O)c1ccc(Cl)cc1 32716954 HTPYVQYCVLYUIH-CYBMUJFWSA-N 333.815 4.033 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1cccc(NC(=O)NC2CC2)c1 32826244 OFBOMWDZRPJSQZ-UHFFFAOYSA-N 344.802 4.268 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccccc2OC(F)(F)F)N1C1CC1 32854066 NFFJFMAIRRXPDB-MRXNPFEDSA-N 348.324 4.314 0 40 EIAB O=C(COC(=O)c1cc2c(s1)CCCC2)NC1CCCCCCC1 32911119 HNQRPXHFYUEYMJ-UHFFFAOYSA-N 349.496 4.013 0 40 EIAB C[C@@H]1CC2=C(CCC3(C2)OCCO3)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]21 38928356 XNJSTNUYCHRSRZ-HIHRSEIJSA-N 330.468 4.261 0 40 EIAB in-vitro COc1cc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc(OC)c1 40097694 LRDCLHBMRSWLFX-LBPRGKRZSA-N 332.375 4.068 0 40 EIAB Cc1ccccc1-n1c(S)nnc1COc1ccc(Cl)cc1 40163724 HJALDNBVRZEHNO-UHFFFAOYSA-N 331.828 4.097 0 40 EIAB CC[C@H](C)c1ccc(OC[C@H]2CCCNC2)c(Br)c1 42774593 LCKSSPAHIALMDM-STQMWFEESA-N 326.278 4.341 0 40 EIAB Cc1cccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)c1 45949276 QYUIUNSSGYVHQP-UHFFFAOYSA-N 347.418 4.291 0 40 EIAB O=C(NCCc1cccc2ccccc12)c1ccc(-c2cnco2)cc1 47832155 BEOFKFXNTIYMEF-UHFFFAOYSA-N 342.398 4.467 0 40 EIAB CCN(CC)c1nc2sc(C(=O)Nc3ncccc3C)cc2s1 48374303 RYQRYDINENMWKY-UHFFFAOYSA-N 346.481 4.160 0 40 EIAB COc1ccc(Br)c(-c2nc(C)c(C(C)=O)s2)c1 48640511 MIHILDBDYPIOJG-UHFFFAOYSA-N 326.215 4.092 0 40 EIAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC1CC1 48738180 ZVYWRUMXSYTSBD-UHFFFAOYSA-N 338.411 4.171 0 40 EIAB O=C(NCCN1CCCCC1)Nc1ccc2c(c1)oc1ccccc12 57594595 AMTXUAZYULBMEW-UHFFFAOYSA-N 337.423 4.193 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccco1)c1cccc(F)c1 58228682 RFKCVUMRIBCFJD-LBPRGKRZSA-N 342.370 4.360 0 40 EIAB Cc1nsc2ncc(C(=O)N3CCCSc4ccccc43)cc12 58228691 RNTRUMUQFRKEGZ-UHFFFAOYSA-N 341.461 4.142 0 40 EIAB CCCN(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CCCCC1 69702553 LUYXRPLYNTYGDS-UHFFFAOYSA-N 345.443 4.220 0 40 EIAB CNC(=O)c1sc(COc2ccccc2-c2ccccc2)nc1C 77577060 GHLQYQWRXYJLMI-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB Cc1noc(C)c1CNC(=O)Nc1ccc(COC2CCCC2)cc1 96418132 BMPIJFZXNOFSLA-UHFFFAOYSA-N 343.427 4.072 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(Cl)cc1Cl 100189274 CDCYSYACVZEUQD-GUYCJALGSA-N 334.250 4.354 0 40 EIAB O=C(O)C12C[C@@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 100440800 GLJDZZQQPFAEPQ-JQIAMPCJSA-N 330.268 4.193 0 40 EIAB CCN(CC)c1ccc(C[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 100998728 LMGPROAZELKXSM-FQEVSTJZSA-N 335.451 4.114 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113959855 IIKXXKQGZYPTAP-UXHICEINSA-N 341.451 4.429 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(C)c(C)c1 219307095 IFVILMGLFRSESX-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222814149 LSWIRCKYGMYJHC-UONOGXRCSA-N 337.901 4.177 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)c(F)c1 223281216 KRGGBDDLGBINQV-GFCCVEGCSA-N 331.362 4.250 0 40 EIAB COc1cc(CNC(=S)Nc2ccc(C)cc2)ccc1OC(C)C 225529956 NLYZNOAOWDVWGY-UHFFFAOYSA-N 344.480 4.277 0 40 EIAB CCOc1ccccc1NC(=S)NCCCc1ccccc1OC 225549481 LPHNBPKBIDBMNU-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C(C)C 225593595 DSNPWAVAQDCLSM-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB COc1ccc(CCC(=O)Nc2ccccc2Br)cc1C 225733261 UYNDXWOAFVBEOD-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB CCOc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1Cl 225879953 MNXBJTKYRFMCRT-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB Cc1cc(N)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 226238328 PLXGWHXCJNATOT-UHFFFAOYSA-N 341.480 4.002 0 40 EIAB CC(C)c1cc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)no1 266368049 IJSJUZWEJJTVDU-CQSZACIVSA-N 331.391 4.034 0 40 EIAB CCOc1ccc(-c2ccc(OC(=O)c3ccccc3C)nn2)cc1 408531667 WFJWYPIZZLJIKW-UHFFFAOYSA-N 334.375 4.070 0 40 EIAB Cc1cc2c(cc1C)[C@H]1C[C@@](C)(O2)N(Cc2cccs2)C(=O)N1 1615545725 IKSADBVWNTWGAI-CRAIPNDOSA-N 328.437 4.130 0 40 EIAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(F)cc1 137583 CHHBTJHFUNNYKN-UHFFFAOYSA-N 335.334 4.443 0 40 EIAB O=C1N(c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)N2CCCN12 549743 VETMOGSCSAGQCA-MRXNPFEDSA-N 331.778 4.041 0 40 EIAB COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1Cl 570469 LJURYNPBCYMKBP-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB CCOc1ccccc1CNc1ncc(-c2cccc(OC)c2)n1C 819132 IBWCJVYKINNPBX-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB S=C(Cc1ccc2c(c1)Sc1ccccc1O2)N1CCOCC1 1858292 LOEGMKXYDOIJSI-UHFFFAOYSA-N 343.473 4.146 0 40 EIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 2641056 GKTILMBLPOWCKT-UHFFFAOYSA-N 334.346 4.318 0 40 EIAB O=C(OCc1c(Cl)nc2sccn12)c1ccc(F)cc1Cl 3250197 KSKLAGJKOFIAET-UHFFFAOYSA-N 345.182 4.199 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccc(N(C)C)cc3)n2)o1 4134686 VZOWAOADBIQXGK-UHFFFAOYSA-N 327.409 4.030 0 40 EIAB O=Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 4201609 HGWPGMBKQVAIRZ-UHFFFAOYSA-N 347.370 4.309 0 40 EIAB Clc1ccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)cc1 4540219 DCIZXDMRUHYURP-ZZXKWVIFSA-N 339.811 4.072 0 40 EIAB Cn1c(-c2ccccc2)cnc1NCc1cccc(Br)c1 4678429 CRPLYJMPGBZDGY-UHFFFAOYSA-N 342.240 4.462 0 40 EIAB CC[C@@]1(O)CCC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4683796 XFKKWOBQJWQESO-GJKJALOISA-N 346.511 4.308 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 4817288 VPRPANWSSJGICN-KSZLIROESA-N 336.479 4.418 0 40 EIAB C[C@H](C(=O)c1ccc(Cl)cc1)n1nc(-c2cccs2)ccc1=O 4986591 QGYZTOZTKRJXFC-LLVKDONJSA-N 344.823 4.069 0 40 EIAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccn2)o1 5524551 GECVBFAJZDIADU-FXAWDEMLSA-N 331.375 4.225 0 40 EIAB CCCCCNc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 5556090 GGCYAGAHWMNVKG-LLVKDONJSA-N 329.473 4.066 0 40 EIAB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1 6374190 ZHLZDIUUNUHAHP-GFCCVEGCSA-N 331.441 4.237 0 40 EIAB CC(C)(C)c1csc(NC(=O)CSc2nc3ccccc3o2)n1 6762031 KDCUDOOMQAZZDW-UHFFFAOYSA-N 347.465 4.313 0 40 EIAB O=C1c2ccccc2N[C@@]2(CCc3ccccc3C2)N1Cc1ccco1 7112928 LSPSUSUWZRUASV-QFIPXVFZSA-N 344.414 4.233 0 40 EIAB Fc1ccc(OCCCSc2nc(-c3ccccc3)n[nH]2)cc1 7471366 XRJAGHYMFXHIKD-UHFFFAOYSA-N 329.400 4.172 0 40 EIAB COc1ccc(CNCc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1 7541257 GVMPSTZBLBPSKY-HNNXBMFYSA-N 337.419 4.298 0 40 EIAB O=C(Nc1ccnn1Cc1cccs1)c1ccc2ccccc2c1 7793795 XSGGVTNAWDIRRS-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 8215047 UIKPUXIQCRHLCH-AWEZNQCLSA-N 343.448 4.124 0 40 EIAB COc1ccc(C=O)cc1Oc1nc(C(F)(F)F)nc2ccccc12 8325973 KGPAOFQOFDSCAG-UHFFFAOYSA-N 348.280 4.262 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 8560915 WLAATGKNVMBSKJ-UHFFFAOYSA-N 347.798 4.166 0 40 EIAB Cc1cccc(-c2nnc3sc([C@H](C)Oc4ccccc4)nn23)c1 9227244 XPIHAKGEFYRKEH-ZDUSSCGKSA-N 336.420 4.301 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 9694990 NLJYHAAYGLVKCN-UHFFFAOYSA-N 349.761 4.301 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11074743 OZIAQXMXECOUAL-UHFFFAOYSA-N 338.357 4.376 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1Cl 11637265 VQOLUSRNFXTRHI-SFHVURJKSA-N 331.843 4.431 0 40 EIAB CSc1ncccc1C(=O)Nc1ccccc1N1CCCCCC1 12536644 XTFVRPYXKPIPLM-UHFFFAOYSA-N 341.480 4.436 0 40 EIAB O=C(CCSc1nnc(C2CCCCC2)o1)NC1CCCCC1 12782664 ISBANSMOBPCSTK-UHFFFAOYSA-N 337.489 4.048 0 40 EIAB CC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 12809233 HKJRVCXHCMSPIQ-OAHLLOKOSA-N 349.434 4.076 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12924727 ZVGJRQKFYGTAMI-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 14219551 HJPGYAXHTZNTIJ-CQSZACIVSA-N 344.263 4.423 0 40 EIAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccn1 17067921 KPYKEGWPHXWGJW-UHFFFAOYSA-N 330.844 4.306 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 19625073 PFJIIIZGBHEFKC-AXFHLTTASA-N 337.345 4.347 0 40 EIAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 20141880 LRRSAWVSYILITL-LLVKDONJSA-N 347.798 4.468 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 21798565 GAYMKGHNJNFONN-VIFPVBQESA-N 336.844 4.182 0 40 EIAB O=C(O)c1cc(/C=C/c2ccco2)nc2ccc(Br)cc12 22144168 OQGPWKLAZNTGCO-SNAWJCMRSA-N 344.164 4.459 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c(F)c1 23698257 XRFOWJVPSWKQFE-UHFFFAOYSA-N 344.367 4.293 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 24830677 FXEFPMGMBGXLHG-STQMWFEESA-N 348.393 4.057 0 40 EIAB Cc1ccc(-n2ccnc2SCc2nc(CC(C)C)no2)c(C)c1 25058814 QYNKXIDLHNDMJE-UHFFFAOYSA-N 342.468 4.363 0 40 EIAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccccn1 32988554 AGDASEAGGAMKFU-INIZCTEOSA-N 336.460 4.417 0 40 EIAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 36621091 KXASZUBCBJHIQL-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB O=C(NCCc1csc(-c2cccc(F)c2)n1)Nc1cccs1 38668187 OOGIVTHVUBXDPI-UHFFFAOYSA-N 347.440 4.375 0 40 EIAB O=C(Nc1cccs1)Nc1nc2c(s1)COc1ccccc1-2 38671409 TUBOOCMCNIUMLD-UHFFFAOYSA-N 329.406 4.408 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)C1(c2ccc(F)cc2)CC1 40058833 NNDMGEDWGYIYFI-UHFFFAOYSA-N 339.395 4.015 0 40 EIAB O=C(NCCC1=CCCCC1)c1ccccc1OCc1ccncc1 40069659 JOKPEYLNMXZALB-UHFFFAOYSA-N 336.435 4.281 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 40119708 CDVXJQPDSUYNQU-UHFFFAOYSA-N 327.811 4.278 0 40 EIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]2CCCC[C@H]21 43010383 UTLWUPOTNWXFBJ-FFZOFVMBSA-N 343.467 4.039 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(C)cc2)cc1 44885056 LICWPCAFYFYGPW-OAHLLOKOSA-N 329.465 4.143 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(Cc2ccccc2)C1 48343452 BZNGDXZXBNJRSF-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB Cc1c(O)ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc12 57536119 ALNZQUPDMFFBHN-GOSISDBHSA-N 335.403 4.144 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCCc3cc(F)cc(F)c3)cc2c1 60317783 YBYZNFNTJWRIKM-UHFFFAOYSA-N 340.373 4.102 0 40 EIAB C[C@H](c1cccc2ccccc12)N1CCN(Cc2cscn2)CC1 65952438 QGLHNWNOHBZDGX-MRXNPFEDSA-N 337.492 4.175 0 40 EIAB COc1ccc2cc(C(=O)N(Cc3ccsc3)C3CC3)[nH]c2c1 67330008 LAFLMIVBBLGANT-UHFFFAOYSA-N 326.421 4.043 0 40 EIAB Cc1cc(CS(=O)(=O)Cc2csc(C(C)(C)C)n2)c(C)s1 71830262 QTAMLDNIJFVJTR-UHFFFAOYSA-N 343.539 4.234 0 40 EIAB COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(C)c4)C3)n2)c1 72369885 DXFKRDRMNJXDPX-SFHVURJKSA-N 349.434 4.043 0 40 EIAB CN(C)C(=O)c1ccc(Cl)c(NCc2cccc3cccnc23)c1 78997459 XYYFCCPXANANTG-UHFFFAOYSA-N 339.826 4.202 0 40 EIAB CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc3ccccc3n2)c1 95420450 BRIUZWUWKPJIEO-INIZCTEOSA-N 347.462 4.225 0 40 EIAB CCOCc1ccccc1NC(=O)N(C)[C@H]1CC[C@H](SCC)C1 95965226 WPEZBRZRLONFAI-HOTGVXAUSA-N 336.501 4.361 0 40 EIAB Cc1cc(C(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)on1 96468350 PPQGTLGBYJHMSE-CYBMUJFWSA-N 341.436 4.248 0 40 EIAB CCC[C@H]1CCc2ccccc2N1C(=O)CCc1nnc(C(C)C)o1 96471406 YYQQRQPVSKUWCK-INIZCTEOSA-N 341.455 4.274 0 40 EIAB Cc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 98212248 VFMUKYDJVWWHEI-KRWDZBQOSA-N 333.391 4.022 0 40 EIAB CCC(=O)c1cccc(NC(=O)c2sccc2Br)c1 120643920 QKOIVKHKYPFAPY-UHFFFAOYSA-N 338.226 4.356 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@@H](O)[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 123386581 YQMXIAABFQDHTC-WKBNOSBISA-N 334.500 4.322 0 40 EIAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(OC)c1 216890969 BHQRRVMGILCAAB-CMDGGOBGSA-N 346.810 4.422 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C 222632509 HQYBIVMBQBWMSU-MRXNPFEDSA-N 338.451 4.013 0 40 EIAB CC(C)c1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225726567 WIPAEMLHDNSGBY-CALCHBBNSA-N 347.572 4.464 0 40 EIAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)C1[C@@H]2CCCC[C@@H]12 247516977 WAAMYFYUQIQYCQ-ZHALLVOQSA-N 340.854 4.377 0 40 EIAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)c1 408822821 MIPYVCWPYCMZBA-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1cccc(C)c1C)c1ccccc1 408979078 LCTOULLFKPTHFL-GOSISDBHSA-N 340.423 4.119 0 40 EIAB CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc2cc(C)cnc12 519440146 LYRZNMJKZUAQBV-UHFFFAOYSA-N 340.448 4.067 0 40 EIAB O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccoc1C1CC1 578204909 APXDPFMMCNVTJA-UHFFFAOYSA-N 344.436 4.303 0 40 EIAB CCN(Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCOC(C)(C)C1 585084880 YFZKXMLHXMBORX-HNNXBMFYSA-N 345.405 4.407 0 40 EIAB FC(F)Oc1ccc(Cl)cc1CNCc1cnc(Cl)s1 585116890 LPAQFWLEZRBMRF-UHFFFAOYSA-N 339.194 4.341 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4n3)n[nH]2)cc1C 1596046300 PPLZPYQKXFJLQQ-UHFFFAOYSA-N 342.402 4.494 0 40 EIAB CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1Cl)CSC2 189420 IMCRLONJSZDIDQ-UHFFFAOYSA-N 335.860 4.291 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCn1c(C)cc2ccccc21 250347 NBSVSKPUGDLCQT-UHFFFAOYSA-N 342.826 4.042 0 40 EIAB CCCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21 499692 LKUAVZXMYSMBMY-UHFFFAOYSA-N 325.412 4.076 0 40 EIAB O=C1CCSC(=S)N1c1cc(Cl)c(Cl)cc1Cl 1565584 REPPJTMEPWGMDX-UHFFFAOYSA-N 326.657 4.402 0 40 EIAB CCCCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1770675 RFRNWQMAQVKUMT-UHFFFAOYSA-N 325.430 4.152 0 40 EIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1Cl 2747603 FXEGXKCRIUQRNR-UHFFFAOYSA-N 339.222 4.495 0 40 EIAB O[C@H](CN[C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 3401912 IFKJZRBFDUBHHF-OFNKIYASSA-N 347.458 4.247 0 40 EIAB COc1cc(C(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1OC 3451061 WVBRTGHXOYEXHS-UHFFFAOYSA-N 343.423 4.397 0 40 EIAB Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12 4034488 XFUSOUZKMFKPKM-UHFFFAOYSA-N 329.856 4.276 0 40 EIAB CCCCC(=O)N(Cc1ccccn1)c1nc2ccccc2s1 4304756 PBBUKCNZBKCCKE-UHFFFAOYSA-N 325.437 4.415 0 40 EIAB CC[C@@H](Oc1ccccc1)c1nn2c(-c3cccs3)nnc2s1 4939253 VWSCVWSURWOTQE-GFCCVEGCSA-N 342.449 4.444 0 40 EIAB CCCCCCc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 5005267 WSAACYGKJZDHKM-UHFFFAOYSA-N 336.435 4.475 0 40 EIAB CC(=O)Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 5017449 SYWLJCWZDNGTFH-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)c(C)c1 5024995 HPNODKYEXNBQTE-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB Cc1ccccc1-c1noc(CSc2ncnc3sccc23)n1 6115363 JZYACGWMNKLARU-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB Cc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1Cl 6332968 QXSRXOKRPWBNRK-YVLHZVERSA-N 340.810 4.059 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1Br 7651579 YEPCCYSZAGRLQX-ANYFNZRUSA-N 336.254 4.401 0 40 EIAB CCOc1ccc2nc(SCc3nc4ccccc4o3)[nH]c2c1 7901089 FEXMOHVDFJIYSD-UHFFFAOYSA-N 325.393 4.395 0 40 EIAB CCn1cccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 8091021 RDMVUDKDHHMFSR-XNTDXEJSSA-N 346.839 4.398 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccc(Br)cc3)cc2c1 8166200 XOZJLSVEDXYQDJ-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccccc2)CC1 9062815 UIZBLKXPGKGJRX-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB O=C(Nc1nnc(CSc2ccccc2)s1)c1cccs1 9698626 IOOJGTPPROKIMH-UHFFFAOYSA-N 333.463 4.144 0 40 EIAB Cc1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1F 12488911 ROTNHLNFDXADQK-UHFFFAOYSA-N 334.394 4.435 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(F)ccc2OC)c1 12782654 VTQYISBAOUAIKY-SFHVURJKSA-N 345.414 4.189 0 40 EIAB CCOc1ccc(-c2n[nH]cc2Oc2ccccc2OCC)c(O)c1 13127349 WNVLPJAJNYJBFT-UHFFFAOYSA-N 340.379 4.372 0 40 EIAB CCCCCNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 14247960 KCCXRWCTAXIWKJ-GOSISDBHSA-N 348.537 4.064 0 40 EIAB CC[C@H](C)OP(=O)(O[C@@H](C)CC)[C@@H](O)C(Cl)(Cl)Cl 16610327 YNPDVDFFTXYYSL-XHNCKOQMSA-N 341.599 4.498 0 40 EIAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1 16780605 USDBKCJDSYHCTH-UHFFFAOYSA-N 347.480 4.356 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 20104708 BPXUXLZWLFSUKM-UHFFFAOYSA-N 347.455 4.163 0 40 EIAB COc1cc(CN[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC 26313153 SQYUVDROJZPFBH-ZDUSSCGKSA-N 341.407 4.309 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1cc(-c2cccs2)on1 32339112 XNPQKAILPNWREP-LBPRGKRZSA-N 342.445 4.370 0 40 EIAB O=c1c(C(F)(F)F)cccn1Cc1csc(-c2ccccc2)n1 32905952 CUQLHWIEOFMQDK-UHFFFAOYSA-N 336.338 4.039 0 40 EIAB CN(Cc1ccncc1)Cc1c(-c2ccccc2)nc2sccn12 32906785 LTPBXHFBHHGHFH-UHFFFAOYSA-N 334.448 4.090 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 33297991 ICTGRCZYSQJGOC-DZGCQCFKSA-N 339.464 4.396 0 40 EIAB Cn1cccc1CN(C(=O)Nc1ccccc1C(F)(F)F)C1CC1 35278325 UVESKSQWEREZFX-UHFFFAOYSA-N 337.345 4.240 0 40 EIAB CCOc1cccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)c1 40139657 SFSXNGOAGKAPCF-PTNGSMBKSA-N 326.783 4.471 0 40 EIAB CC(=O)Nc1ccc(OC(=O)C2(c3ccccc3F)CCCC2)cc1 40160148 RFWCVOZIIPXNTR-UHFFFAOYSA-N 341.382 4.202 0 40 EIAB CC(C)c1nnc(NC(=O)N(C)[C@H]2CCCc3ccccc32)s1 43696251 KTBNSMDCMJZYRF-AWEZNQCLSA-N 330.457 4.203 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(OC)cc1 44883156 GNWCFHJFCHUVFH-MOPGFXCFSA-N 341.451 4.429 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2)o1 44894348 PMDAFCBZXZRPBH-UHFFFAOYSA-N 338.382 4.072 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)cc1 44899733 IPCAEAVMAWXVAQ-OAQYLSRUSA-N 349.430 4.322 0 40 EIAB Cc1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 45951883 VQKLVNRJIHYSFN-UHFFFAOYSA-N 347.418 4.291 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 48236897 HBDRSQDHBKFAQO-RHSMWYFYSA-N 337.423 4.009 0 40 EIAB Cc1noc(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1 52992528 VDZRBRIBWKHGMO-UHFFFAOYSA-N 335.363 4.239 0 40 EIAB CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C)cc1 56158644 PTMNAMLCBPXOLM-AWEZNQCLSA-N 341.411 4.003 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 57541696 GSTPRLPRMATUJM-OKILXGFUSA-N 331.460 4.099 0 40 EIAB CCC[C@@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(C)=O)CC1 61750741 UIKWDOJTKQIFRE-QGZVFWFLSA-N 345.487 4.099 0 40 EIAB Fc1ccc2sc(CNCc3c[nH]nc3-c3cccnc3)cc2c1 65595055 UGHMGTRYKOMJKP-UHFFFAOYSA-N 338.411 4.115 0 40 EIAB CC[C@H](Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(F)cc1F 71915833 KRUWCSNZQFFLHB-INIZCTEOSA-N 334.366 4.495 0 40 EIAB Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1CC(F)(F)F 71971868 ASKZQRMNEFATQN-UHFFFAOYSA-N 338.358 4.248 0 40 EIAB CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215428 MULAJGLWUTVKFQ-MRXNPFEDSA-N 331.460 4.142 0 40 EIAB O[C@@H](CNc1ncnc2scc(-c3ccccc3)c12)c1ccco1 75668682 UUINKVKBRSQHPO-AWEZNQCLSA-N 337.404 4.097 0 40 EIAB C[C@@H](NC(=O)Cc1cc(F)ccc1F)c1nc(C(C)(C)C)cs1 80087568 ZISOTQHLYAQVJZ-SNVBAGLBSA-N 338.423 4.139 0 40 EIAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)Nc1ccc2ccccc2n1 84598133 VRGPXTVWHVTWKR-KPKJPENVSA-N 340.386 4.072 0 40 EIAB COc1ccc(Cc2nnc(SCc3nc(C)c(C)s3)o2)cc1 89559525 TZTLVJRXXPXDTN-UHFFFAOYSA-N 347.465 4.035 0 40 EIAB CCC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@H](C)Oc1ccccc1 89949918 MIRZNFXNRJKJHQ-BBRMVZONSA-N 329.362 4.178 0 40 EIAB O=C(/C=C/c1cccs1)NCc1cccc(Oc2ccccn2)c1 96382408 QCEUWCFUZMZDFE-MDZDMXLPSA-N 336.416 4.265 0 40 EIAB C[C@@H](SCC(=O)NC1CCOCC1)c1ccc(Cl)cc1Cl 96403753 SIAPBHGOVDZSLM-SNVBAGLBSA-N 348.295 4.083 0 40 EIAB Cc1nscc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 181197397 HKCQEUUIDIJQRB-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)s1 222904326 OBBHTNRPRDNYPX-HOTGVXAUSA-N 331.510 4.080 0 40 EIAB COc1ccccc1CNC(=O)c1cc2cc3ccccc3nc2s1 223133376 GBGFNYWTEQVVSJ-UHFFFAOYSA-N 348.427 4.388 0 40 EIAB CC1(C)COc2ccc(C(=O)NCCC3=CCCCC3)cc2OC1 225358114 VZHVNODUSSEJKT-UHFFFAOYSA-N 329.440 4.104 0 40 EIAB COc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225596850 ZRXIIUDEMLEHIM-UHFFFAOYSA-N 346.521 4.305 0 40 EIAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2cc(Cl)ccc21 225826404 XGAQKNQVEQMKNZ-UHFFFAOYSA-N 341.838 4.340 0 40 EIAB CCOc1ccccc1NC(=S)NC1(c2cccnc2)CCCC1 225847888 PSZMADVJBDDPTM-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 225862067 MHBCXHLEIHIUET-UHFFFAOYSA-N 342.414 4.460 0 40 EIAB COc1cc(C)ccc1C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 548039943 FCTCAHJHBKKCPX-IBGZPJMESA-N 338.451 4.047 0 40 EIAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc(-c2ccccc2)cc1 1126674298 WDBKTWROYNDCFV-JOCHJYFZSA-N 348.490 4.348 0 40 EIAB CCCC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 52488 OXGMWJYWPWUKQU-UHFFFAOYSA-N 333.457 4.153 0 40 EIAB S=c1n(CN2CCCCC2)nc(-c2ccco2)n1-c1ccccc1 66429 BOKVWOAMSKLBSK-UHFFFAOYSA-N 340.452 4.107 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@@H]2c1ccc(Cl)cc1Cl 152915 SZTXBSVQOKSIKW-NVXWUHKLSA-N 347.201 4.226 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(C)c1 190388 AFGZXDUFTDGNGQ-UHFFFAOYSA-N 325.389 4.249 0 40 EIAB Cc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 509712 JMCGSKVHEVKRHD-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)c(C)c1 536076 XBURUSQUSBRXFI-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB Fc1cccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn23)c1 1018187 NPEIOKPDGUKLPM-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB Cc1cc(C)cc(S(=O)(=O)c2c(C)cc(C)nc2OCC(C)C)c1 1386118 FZPHBDBMWGSIKE-UHFFFAOYSA-N 347.480 4.183 0 40 EIAB CC(C)(C)C1CCC2(CC1)CC(=O)N(N1CCCCCC1)C(=O)C2 1680532 ACYDSDBNAGTVSW-UHFFFAOYSA-N 334.504 4.149 0 40 EIAB CN(C)Cc1ccccc1CC(O)(c1ccccc1)c1ccccc1 1713602 GXLFQSPMZHGYGQ-UHFFFAOYSA-N 331.459 4.227 0 40 EIAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(=O)oc3)ccc21 2315903 VVRUZFJDYVELAM-UHFFFAOYSA-N 332.359 4.020 0 40 EIAB Cc1ccc(C(=O)CCCCCCC(=O)O)cc1Br 2518013 RWXOREFLKCAEEY-UHFFFAOYSA-N 327.218 4.365 0 40 EIAB Fc1ccccc1NC(=S)NCCc1ccc(C(F)(F)F)cc1 3328213 PRKGQBNWDDRUQE-UHFFFAOYSA-N 342.361 4.374 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(F)c1 4072192 RJJVIGMUWINOKN-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(O)CCCCCNc1ncnc2scc(-c3ccccc3)c12 4476217 CZCFHYFSLLIVMT-UHFFFAOYSA-N 341.436 4.415 0 40 EIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Cl)cn1 4724996 RZPHHQOUMLDGKD-UHFFFAOYSA-N 339.222 4.495 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(SC(F)F)cc1 4864115 GBQUQJNRZFYLSN-UHFFFAOYSA-N 336.388 4.363 0 40 EIAB CC(C)(C)C(=O)CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1 4993868 LMJHLDSIMVUHLQ-UHFFFAOYSA-N 343.408 4.099 0 40 EIAB Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 6576323 XMZKPFHSMJBQKF-UHFFFAOYSA-N 326.812 4.452 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 6811216 ISVMFJYTSWJRBC-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc3nsnc3c2)c(C)c1 7388547 XXJJNKRCHWXEJI-UHFFFAOYSA-N 340.452 4.098 0 40 EIAB Cc1cccc(-n2c(N)c(C(=O)N3CCCCCC3)sc2=S)c1 7499899 IXZJYDYTZHDKPZ-UHFFFAOYSA-N 347.509 4.175 0 40 EIAB CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1C 10434351 QOOHBPPGPCBGJN-UHFFFAOYSA-N 337.448 4.231 0 40 EIAB CCSc1ccccc1C(=O)NCc1cc(-c2cccs2)on1 12725387 IIJWWXVIWRRCCD-UHFFFAOYSA-N 344.461 4.445 0 40 EIAB CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(OC)cc1 12923098 ATWNSWKBWUZQTC-UHFFFAOYSA-N 326.440 4.125 0 40 EIAB Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12 13127348 QGOIQRQXIWSNJF-UHFFFAOYSA-N 345.431 4.131 0 40 EIAB C[C@@H](NC=O)c1nc2ccccc2n1Cc1cccc2ccccc12 13540766 GDIPBKBBNDMMLQ-OAHLLOKOSA-N 329.403 4.045 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 13613387 AKOPHIXFWJTABE-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 14134529 BFTPNYODMLLLQA-WDEREUQCSA-N 346.477 4.014 0 40 EIAB Cc1ccc(NC(=O)CSCCC(=O)Nc2cccc(C)c2)cc1 14187958 RWDIJDYCMGUFHL-UHFFFAOYSA-N 342.464 4.004 0 40 EIAB Cc1cc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc(C(C)C)n1 16454268 VHAWXFYBCVGCLE-CABCVRRESA-N 343.496 4.266 0 40 EIAB CN(CCc1ccccc1)Cc1c([C@H]2CCCO2)[nH]c2ncccc12 19586213 RCBHZACSLJCUJW-LJQANCHMSA-N 335.451 4.089 0 40 EIAB Cc1ccc2c(CN(C)CCCn3nc(C)cc3C)c(C)n(C)c2c1 19719797 MAZZNZNBBHRVTQ-UHFFFAOYSA-N 338.499 4.131 0 40 EIAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 19831473 QFCGWLJBZVPFGG-GOSISDBHSA-N 336.479 4.084 0 40 EIAB CCc1ccc(N2C(=O)CS[C@@H]2c2cc(OC)ccc2OC)cc1 19927366 XNOICCLZDJFKJD-LJQANCHMSA-N 343.448 4.045 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1 20487838 CWEGTISRNKPRRT-CQSZACIVSA-N 344.405 4.449 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1OC 20489995 KNXOOOPIMCPSHZ-MRXNPFEDSA-N 347.842 4.165 0 40 EIAB Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 22131934 MRMJAWBKOHAMRG-OAHLLOKOSA-N 343.448 4.195 0 40 EIAB CC(=O)[C@@H](C)OC(=O)CCN1c2ccccc2Sc2ccccc21 22142117 KQNCLDUSVGKUEY-CQSZACIVSA-N 341.432 4.200 0 40 EIAB Cc1cc2cc(NC(=O)c3cccc(NC(=O)[C@@H]4C[C@H]4C)c3)ccc2[nH]1 25129495 YJZQDEQZESLUFT-KZULUSFZSA-N 347.418 4.323 0 40 EIAB CC[C@@H](NC(=O)CCSc1ccccc1)c1ccc(OC)cc1 25513005 RZJAXPNOQVILEJ-GOSISDBHSA-N 329.465 4.445 0 40 EIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 27588481 JAGVEEWNOQSGNW-OAHLLOKOSA-N 347.480 4.167 0 40 EIAB O=C(c1ccnc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 31394102 LKHAGAGIKJRLAH-ZDUSSCGKSA-N 343.839 4.322 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1 36354059 NHSRTGVJGBIWTB-UHFFFAOYSA-N 337.379 4.110 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(F)c2F)o1 36740280 BWYKSPDSILXZRE-UHFFFAOYSA-N 345.393 4.155 0 40 EIAB Cc1c(C(=O)N[C@@H](c2cccs2)C(C)C)oc2c1C(=O)CCC2 40131596 SKPHZLQYZCDURE-MRXNPFEDSA-N 331.437 4.296 0 40 EIAB Cc1c(C(=O)N2CCCCC[C@H]2c2ccncc2)cnn1C(C)(C)C 44525280 GNVOPIDCEDAQIZ-SFHVURJKSA-N 340.471 4.099 0 40 EIAB FC(F)(F)c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1 44893642 CBXSGTIHSGCGFX-UHFFFAOYSA-N 337.345 4.130 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 46899667 BSUCMPHEDDCVKF-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB O=C([C@@H]1CCCc2ccccc21)N1CCC(Nc2ccccc2)CC1 48292314 LTKXEMFSMZLXDR-OAQYLSRUSA-N 334.463 4.210 0 40 EIAB CCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)c1ccccc1 48326616 QOWFVYCBBONICY-UHFFFAOYSA-N 333.435 4.215 0 40 EIAB CCCOc1ccc(C(=O)OCC[C@@H]2CCCN3CCCC[C@H]23)cc1 51330955 FWXSOJYBKRVMJS-FXAWDEMLSA-N 345.483 4.287 0 40 EIAB Cc1csc(COc2ccc(C(=O)Nc3nc(C)cs3)cc2)n1 56907707 YLVCNKUAGOAVFT-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB Cc1ccc2nc(NC(=O)[C@H](c3ccccc3)n3cccn3)sc2c1 58406470 LQLQQRPOZBDDHQ-KRWDZBQOSA-N 348.431 4.029 0 40 EIAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1ccc[nH]1 58412298 NUUBUZZYMYMNRS-UHFFFAOYSA-N 349.459 4.438 0 40 EIAB Cc1nnc2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cn12 58427078 AYVRSQVYJNLJPE-UHFFFAOYSA-N 343.390 4.034 0 40 EIAB CCC[C@@H](NC(=O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 60367790 GDWRILCLJYBZBN-OAHLLOKOSA-N 330.394 4.003 0 40 EIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C)o2)cc1 63887757 SDIMYLFSMKBUIA-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB O=c1c2scc(-c3ccccc3)c2ncn1CCOc1ccccc1 64667578 GUCLCLYVOXXGRG-UHFFFAOYSA-N 348.427 4.204 0 40 EIAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCC[C@@H]1c1nccs1 72285904 NKBIUORBGBHHAM-IIAWOOMASA-N 330.428 4.140 0 40 EIAB CN(Cc1ccccc1NC(=O)c1ccccc1)C(=O)c1ccccc1 75108905 RVGYSQZVVFEOJL-UHFFFAOYSA-N 344.414 4.211 0 40 EIAB Cc1noc(C2(NC(=O)Nc3ccccc3Cl)CCCCC2)n1 75164121 TXMWSLUZDHUTIP-UHFFFAOYSA-N 334.807 4.013 0 40 EIAB Cc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1 78579205 INGZIQADJVTYBC-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB Cc1sc(NC(=O)CNC2(c3nccs3)CCCC2)c(C)c1C 83215384 RDRPZSVDWRZYRP-UHFFFAOYSA-N 349.525 4.127 0 40 EIAB Cc1cc(CNC(=O)N(Cc2ccco2)c2cccc(Cl)c2)on1 89608692 KQEAGZPQJVKTTE-UHFFFAOYSA-N 345.786 4.146 0 40 EIAB CCCc1nc(CN(Cc2ccnc(OC(C)C)c2)C2CC2)cs1 89960477 RJRQHVPORPLICF-UHFFFAOYSA-N 345.512 4.442 0 40 EIAB CCc1nn(C(=O)OC(C)(C)C)c2ccc(Br)cc12 91353310 AXXHMYJAROTSOD-UHFFFAOYSA-N 325.206 4.144 0 40 EIAB C[S@@](=O)Cc1ccc(Cl)c(NCc2ccccc2Cl)c1 95398167 KULNQLNKXHWQCK-FQEVSTJZSA-N 328.264 4.484 0 40 EIAB c1cc(NCc2csc(-c3ccsc3)n2)cc(-n2cnnc2)c1 95428714 LKCMPZKCDVIYET-UHFFFAOYSA-N 339.449 4.064 0 40 EIAB COc1ccc(CCN[C@H](CCc2ccccc2)C(F)F)cc1OC 95466808 JPVUBCYISOBDQU-QGZVFWFLSA-N 349.421 4.102 0 40 EIAB Clc1cccc(Cn2nccc2NCc2cccnc2)c1Cl 95939050 NHQHTCIIRHAGSU-UHFFFAOYSA-N 333.222 4.245 0 40 EIAB Cc1n[nH]c(C)c1/C=C1\C[C@@H](C)Cc2c1nc1ccccc1c2C(=O)O 96256111 VKBDKCLJSLBMPP-ZTMOJVSCSA-N 347.418 4.396 0 40 EIAB C[C@@H](NC(=O)c1cc2ccccc2nc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102134681 QBWRBKVNLZLQCG-OSFYFWSMSA-N 328.843 4.443 0 40 EIAB CN(Cc1nc(C(F)(F)F)cs1)Cc1cccc2cccnc12 174993603 LSSDVWFEUHNZNN-UHFFFAOYSA-N 337.370 4.342 0 40 EIAB Cc1nc2ccc(Cl)cn2c1-c1nnc(-c2ccccc2F)o1 216605735 GIFSEEOIVQNLEW-UHFFFAOYSA-N 328.734 4.152 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1C 224515448 WNPUMHSBQOCIIR-SFHVURJKSA-N 327.424 4.283 0 40 EIAB CCNC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224658879 YYIYDDNMENAMDN-UHFFFAOYSA-N 329.465 4.436 0 40 EIAB CCN(CC)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225151053 BPWXDVNOXXBAEA-QGZVFWFLSA-N 347.842 4.470 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(C)c1 225580301 SFTDFQJEFCXAMY-GOSISDBHSA-N 333.545 4.244 0 40 EIAB COc1cccc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)oc12 225642671 HPISFZYDKRWKDN-UHFFFAOYSA-N 349.308 4.390 0 40 EIAB O=C(NCCSCc1c(F)cccc1Cl)NC1CCCCC1 225754862 DTMWNFQYXLAJFV-UHFFFAOYSA-N 344.883 4.344 0 40 EIAB C[C@@H]1CC[C@H](Cc2nc(-c3ccc(OC4CCOCC4)cc3)no2)C1 545792587 RSHNHNVNYDCAPZ-CABCVRRESA-N 342.439 4.273 0 40 EIAB O=C(N1CCC(Oc2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 575618198 FJGNTPHRVGYYOU-UHFFFAOYSA-N 345.508 4.334 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)NCc1cccs1 575620465 KIYUDVNZFKVABG-GFCCVEGCSA-N 330.478 4.393 0 40 EIAB CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C[C@@H]2C[C@H]2c2ccccc2)n1 585081089 JMHQUPADHGUUSX-OVWQWFNUSA-N 326.440 4.334 0 40 EIAB CN(C)c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 48674 SACZINPDBMDMKN-GOSISDBHSA-N 340.496 4.072 0 40 EIAB Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 110053 IYMMXULJUZNXDV-KRWDZBQOSA-N 338.451 4.216 0 40 EIAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 247772 JVHULTLZOYTTIO-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccnc1 539916 NIQVHLFWMULEPC-OAQYLSRUSA-N 326.403 4.485 0 40 EIAB COc1cccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1OC 818101 DQRURWSPDDZBMW-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB COc1ccc(C)cc1NC(=O)/C=C/c1cccc(Br)c1 2534675 NCJLTDYGEGBWFA-VQHVLOKHSA-N 346.224 4.418 0 40 EIAB Cc1ccc(OCCSc2nnc(-c3ccccc3C)n2C)cc1 2641447 KCEXTPPIIGVPSD-UHFFFAOYSA-N 339.464 4.270 0 40 EIAB CCCCc1nc2scc(-c3ccc(OC)c(OC)c3)c2c(=O)o1 3204656 KLCFCFMJPYOFJI-UHFFFAOYSA-N 345.420 4.276 0 40 EIAB CCc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4856992 AOZBCJWZWSBHKN-ZNXRZULTSA-N 343.540 4.083 0 40 EIAB COc1cc(/C=C/c2nc3ccccc3s2)cc(OC)c1OC 5130034 RPZZSWDGRNKGRZ-CMDGGOBGSA-N 327.405 4.493 0 40 EIAB O=C(Oc1ccccc1Cc1ccccc1)[C@H]1COc2ccccc2O1 5465003 YEJMYKPTFISVHH-OAQYLSRUSA-N 346.382 4.023 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1 6235822 JYQQSLIUEMGZAN-UHFFFAOYSA-N 338.190 4.341 0 40 EIAB COc1ccc(CCNCC[C@H](c2ccco2)C(C)C)cc1OC 6760423 ZKBZPCVDEXRTNM-KRWDZBQOSA-N 331.456 4.259 0 40 EIAB O=C(O)CC1(CC(=O)NCc2ccc(Cl)cc2Cl)CCCC1 6880624 SOUFJQUKVHBMGP-UHFFFAOYSA-N 344.238 4.035 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCCCC1 7408893 QBRLLGASJDWLRX-UHFFFAOYSA-N 330.409 4.058 0 40 EIAB O=C(NCCc1ccccc1F)c1csc(-c2ccc(F)cc2)n1 8369543 GFFQUCYPXLIWIG-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB COc1cc(CNC2CCCC2)ccc1OCc1ccccc1F 8472233 FVMNOXYHTCRXDE-UHFFFAOYSA-N 329.415 4.446 0 40 EIAB COc1ccccc1-c1nnc(S[C@@H](C)c2ccc(F)cc2)n1C 9050483 RBEYEMUQAHULNE-LBPRGKRZSA-N 343.427 4.483 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)C1(c2ccc(F)cc2)CCCC1 9591779 ZCQUBTZBJZAZQB-UHFFFAOYSA-N 327.355 4.005 0 40 EIAB Clc1cccc(/C=C/c2nn3c(-c4ccccn4)nnc3s2)c1 10312424 OPTYSZZYNGEDQT-BQYQJAHWSA-N 339.811 4.072 0 40 EIAB Cc1ccc2cc3c(nc2c1)OC(=O)N(CCc1cccc(F)c1)C3 12236796 QUUPRTKEBMAKBY-UHFFFAOYSA-N 336.366 4.239 0 40 EIAB COc1ccc([C@@H](CNc2ncccn2)c2c[nH]c3ccccc23)cc1 12783016 CQYVJCAPFFOWHS-GOSISDBHSA-N 344.418 4.211 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1F)[C@H](c1ccccc1)N1CCCC1 12824464 FPJKCVGZWSFNOM-HNAYVOBHSA-N 341.430 4.173 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1Cl 13710454 ZSNOGRCJLKODEC-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN12 13770325 MPGFHMWXMINLQJ-MJGOQNOKSA-N 342.439 4.448 0 40 EIAB Cc1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1C 14223046 IUVHKYACDZSDOQ-UHFFFAOYSA-N 340.448 4.429 0 40 EIAB CC(C)CN1CCC(Nc2ncnc3sc4c(c23)CCCC4)CC1 14247162 NBPWXXQZFMVDGD-UHFFFAOYSA-N 344.528 4.102 0 40 EIAB C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccc(Cl)cc2)no1 14670657 ULSUXBGXGCDZRB-LBPRGKRZSA-N 325.799 4.341 0 40 EIAB Cc1cc(C)n2c(SCc3cccc(C(F)(F)F)c3)nnc2n1 15277552 HRQDDACRQUOQRZ-UHFFFAOYSA-N 338.358 4.052 0 40 EIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 16640415 MRWTUOUMAUOJAZ-GFCCVEGCSA-N 337.847 4.319 0 40 EIAB Cc1cc(-c2cnc(NCCCc3ccccn3)nc2C(C)C)on1 19121666 LBWGGYGZHKLKHK-UHFFFAOYSA-N 337.427 4.003 0 40 EIAB c1ccc(CN2CCN([C@@H]3CCCSc4ccccc43)CC2)cc1 19802139 DWOMXKJFILUXON-HXUWFJFHSA-N 338.520 4.431 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 20110331 UATYKDVSFFKBGA-SIHNGCNOSA-N 327.468 4.156 0 40 EIAB COc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)ccc1C 21759376 UTNIFTQWSRNSDS-UHFFFAOYSA-N 331.441 4.155 0 40 EIAB CN(C)C1(CNC(=O)c2cc(F)c(F)cc2Cl)CCCCCC1 24582664 ZCZUJAOFZZQZCF-UHFFFAOYSA-N 344.833 4.003 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 24830669 FXEFPMGMBGXLHG-CHWSQXEVSA-N 348.393 4.057 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(C)c2ccccc12 24974561 CILMKWNDDBTRHV-UHFFFAOYSA-N 344.418 4.233 0 40 EIAB CSc1ccccc1C(=O)OCc1cc(-c2ccccc2)no1 29874162 UVTBOXRXAKJYHI-UHFFFAOYSA-N 325.389 4.421 0 40 EIAB Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)OC(C)C)ccc12 38248374 YZGZZWMODWINHA-OAQYLSRUSA-N 330.704 4.382 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 40118755 CFQCSILBPMYGCA-LJQANCHMSA-N 349.434 4.006 0 40 EIAB COCc1c(C(=O)Nc2ccc(N(C)C)cc2C)oc2ccccc12 40535915 UEFCDVRYEIHHAL-UHFFFAOYSA-N 338.407 4.206 0 40 EIAB Cc1c(Cl)cccc1NC(=O)NC[C@H](c1cccs1)N(C)C 43174700 SMVHZZFXXXZFAC-CQSZACIVSA-N 337.876 4.134 0 40 EIAB CCn1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1=O 47181835 XGYYNMZCTLMEQT-UHFFFAOYSA-N 346.430 4.029 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccsc2)o1 49029075 BLJDUWIFBZCKIJ-AATRIKPKSA-N 331.784 4.103 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412350 XHWVAGHCPGSSOI-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1ccc(C)c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 57477000 APZKPFWLJBDSHY-UHFFFAOYSA-N 342.782 4.364 0 40 EIAB O=C(C[C@H](c1ccccc1)C(F)(F)F)N(Cc1ccccn1)C1CC1 69485355 ZBRZZVAYVBXEDQ-QGZVFWFLSA-N 348.368 4.309 0 40 EIAB CN(C(=O)C[C@@H]1OCCc2ccsc21)c1nc2ccccc2s1 69654218 BXKJLARNNBTADQ-ZDUSSCGKSA-N 344.461 4.025 0 40 EIAB CCCNc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72213130 NRAKQCBPKHYLED-GOSISDBHSA-N 339.439 4.377 0 40 EIAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCCC1 72216110 PRTWJHLZYVWDHN-IBGZPJMESA-N 335.451 4.049 0 40 EIAB Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccccc4)ccc3s2)n1 72229713 IOVMQCWJFWSKOX-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cn[nH]c1-c1cccc(Cl)c1 72328856 NPYXTEAQDKPMBG-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB CN(CCc1ccncc1)Cc1c(C2CCCC2)[nH]c2ncccc12 72393718 BYTLMKAWYYMUAL-UHFFFAOYSA-N 334.467 4.290 0 40 EIAB COCCn1ccc2c(C(=O)Nc3cccc4[nH]ccc34)cccc21 85878573 UCUPFPHSABJYDY-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB biogenic CN(Cc1ccc([S@@](C)=O)cc1)Cc1cnc(C2CCCC2)s1 93711750 HKCIGBIYVFNCMQ-QHCPKHFHSA-N 348.537 4.170 0 40 EIAB COC[C@@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 96417950 PFMWRGAUGYMCFX-CQSZACIVSA-N 334.485 4.222 0 40 EIAB C[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(Oc2cccnc2)c(F)c1 96478376 BKIJMQIGZFAWNR-UONOGXRCSA-N 340.402 4.158 0 40 EIAB C[C@@H](NC[C@@]1(CCO)CCOC1)c1cc2c(ccc3ccccc32)o1 97034661 DUHKCAMTTOUQPZ-QVKFZJNVSA-N 339.435 4.026 0 40 EIAB O=C1N[C@H]2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C=CC=C[C@H]2[C@@H]13 101036572 IDCLPJDWZLYUIR-YHDSQAASSA-N 325.411 4.084 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 113953970 FVKKDLAOUCTIAV-AWEZNQCLSA-N 341.407 4.003 0 40 EIAB O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]1S2 169654184 XCRBMTDUYFRNSW-BJKGOZRQSA-N 333.453 4.228 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223958419 YFXNGSYUHWPYLR-HNNXBMFYSA-N 339.435 4.288 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 223977708 HOBFTHVJNRKCNE-JXMROGBWSA-N 329.827 4.165 0 40 EIAB CCc1ccc(CC)c(CNC(=O)CCc2ccc(OC)c(C)c2)c1 224785649 OKYJZTLCTBIOPU-UHFFFAOYSA-N 339.479 4.377 0 40 EIAB COc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225575685 HSZMVYYITYWCLZ-INIZCTEOSA-N 342.464 4.284 0 40 EIAB Cc1ccccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769289 CRCGHMSOAOVBIK-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1cc(C)nc(Nc2ccc(C(=O)N(C)c3ccccc3)cc2)n1 225913079 RHGDPEUPPDQSHA-UHFFFAOYSA-N 332.407 4.114 0 40 EIAB Cc1cc(Sc2cc(C)c(NC=O)c(C)c2)cc(C)c1NC=O 255188929 MQTFHWNBYWMRFN-UHFFFAOYSA-N 328.437 4.208 0 40 EIAB O=C(NCCC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 408706792 DHODPULUJWCKNR-UHFFFAOYSA-N 343.254 4.019 0 40 EIAB COC(=O)CCCCC(=O)c1ccc(OCc2ccccc2)cc1 575357810 RPBJMKLAGSLXJV-UHFFFAOYSA-N 326.392 4.182 0 40 EIAB O=C(/C=C/c1ccco1)NCCc1ccc(-c2ccsc2)s1 575414006 INZWQILGJZJTEP-ZZXKWVIFSA-N 329.446 4.442 0 40 EIAB O=C(Nc1ccc(Cl)c2cccnc12)[C@H]1CCOc2ccccc21 590453228 XWXGPUIQPAKAGR-ZDUSSCGKSA-N 338.794 4.393 0 40 EIAB Cc1ccc(NC(=O)NCC2(c3ccsc3)CCOCC2)cc1C 952989980 QTRCDOZJWSHENV-UHFFFAOYSA-N 344.480 4.235 0 40 EIAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(O)cc1 131530 AGMULDHOHNYIFH-UHFFFAOYSA-N 336.391 4.423 0 40 EIAB COc1ccc(C2=C[C@H](c3ccccc3Cl)N=C(S)N2)cc1 194742 OICOYDWGIKMLCE-MRXNPFEDSA-N 330.840 4.320 0 40 EIAB COc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OC 310662 PSUPOESUFMUAON-KRWDZBQOSA-N 333.387 4.331 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 560875 YLJGEMXRVKCFAV-UHFFFAOYSA-N 346.430 4.069 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccccc2OC)cc1 1640235 ZFSIDBXAYCKTGM-UHFFFAOYSA-N 342.395 4.296 0 40 EIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 2120987 RFVBHHPDYTWNSA-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB CCOc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2c1 2766851 SEHFEUWSOXPZLE-HUUCEWRRSA-N 338.432 4.437 0 40 EIAB CCCCOc1ccc(C2=N/C(=C/c3ccc(C)o3)C(=O)O2)cc1 3005642 LSBZHYHVKOXUQL-SFQUDFHCSA-N 325.364 4.111 0 40 EIAB O=C(NCc1ccncc1)c1cc(-c2cccs2)nc2ccccc12 3373813 DZDBXSFARPQZNW-UHFFFAOYSA-N 345.427 4.288 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CCCC2=C2CCC[C@@H]23)c(C)c1 4015848 JYCRFHOUJNWOOZ-ZULIPRJHSA-N 335.447 4.319 0 40 EIAB CCc1cccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1 4315747 CLVLCHMQUAKAEP-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB CCCCCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 4785621 YLWIFILEXNJLHY-UHFFFAOYSA-N 337.514 4.407 0 40 EIAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1C 4994320 WDTPIAAWBNEPLM-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 5597392 RZKNHXCQCWBITH-HNNXBMFYSA-N 327.424 4.444 0 40 EIAB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 5910123 VUHHPCNWKDEWOX-RCBQFDQVSA-N 335.831 4.203 0 40 EIAB CN(Cn1nc2sc3ccccc3n2c1=S)C1CCCCC1 6247567 SLPHAAYQUQYSFF-UHFFFAOYSA-N 332.498 4.302 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(OC(F)F)c1 6789751 ZOZKQRUGIDIMGI-UHFFFAOYSA-N 348.374 4.170 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 7146495 ZRVQMRHSOJARBX-AWEZNQCLSA-N 331.456 4.499 0 40 EIAB Cc1ccc([C@H](NC(=O)COc2ccccc2)c2ccccc2)cc1 7686032 HBFVHFQXQOTJAL-JOCHJYFZSA-N 331.415 4.280 0 40 EIAB COc1cccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 7706059 BXLMZTYENUZUBY-LBPRGKRZSA-N 326.421 4.138 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1nc2ccc(Cl)cc2s1 7807979 ZNYUMRMBZFOFBE-UHFFFAOYSA-N 343.795 4.272 0 40 EIAB COc1ccccc1CCNC(=O)c1cc(Cl)sc1Cl 8724158 NNESGYKOFSRNPN-UHFFFAOYSA-N 330.236 4.036 0 40 EIAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C(C)C)cc1 9070893 DBYJELWUJYDBLK-UHFFFAOYSA-N 329.444 4.458 0 40 EIAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1C 9428241 RNMOTBGAZRXNFC-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB O=c1oc2ccccc2c(NCc2ccccn2)c1Cc1ccccc1 10313730 NSIQMNLANJTUER-UHFFFAOYSA-N 342.398 4.391 0 40 EIAB CN(C)c1cccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 12554827 RDMYVGCVCCBPMR-MRXNPFEDSA-N 346.883 4.373 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3cc(C)ccc3OC)cc2c1 12600139 DSUHSQNIOORDND-UHFFFAOYSA-N 336.391 4.121 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CCSc2ccccc2)c1 13649043 JBZXOCJXWBUUPO-UHFFFAOYSA-N 343.448 4.293 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 13710772 MMIKPOJKOFZWJJ-SIHNGCNOSA-N 327.468 4.156 0 40 EIAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)cc1 13932717 VZXMMYIAVWEKEX-CYBMUJFWSA-N 330.453 4.142 0 40 EIAB COc1cc(C(=O)Nc2ncccc2C)cc(Cl)c1OC(C)C 18231251 KVDLIMLAKFYUDM-UHFFFAOYSA-N 334.803 4.092 0 40 EIAB COc1ccccc1CN[C@H](Cc1ccsc1)c1nccs1 19570853 JRPAOHFUDHGRBX-OAHLLOKOSA-N 330.478 4.287 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(C(F)(F)F)c1 24587650 CIDMKHYYLVFUPT-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB Cc1cccc2sc(NC(=O)c3ccc(CN4CCCC4)o3)nc12 27984471 DXIDOJOFUGTWMI-UHFFFAOYSA-N 341.436 4.046 0 40 EIAB Cc1cc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 32841306 AOJZLNNOKDNIEY-LBPRGKRZSA-N 342.424 4.004 0 40 EIAB Cc1c(C(=O)Nc2ccccc2Oc2ccccc2Cl)cnn1C 32882195 JNKWVXHHUJOGRU-UHFFFAOYSA-N 341.798 4.427 0 40 EIAB CCCCc1nc(C)c(C(=O)Nc2cccc(NC(=O)CC)c2)s1 32924523 FLTSHQXGLCEALF-UHFFFAOYSA-N 345.468 4.395 0 40 EIAB Cc1ccc(OCCC(=O)Nc2nc3ccc(C)cc3s2)cc1 32958364 NGSZGMBLHMFSHM-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB C(=C/c1ccccc1)\CN1CCC(Cn2cnc3ccccc32)CC1 36708863 BGJFXOLIIAPSNA-RMKNXTFCSA-N 331.463 4.462 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N2CCc3ccccc32)c1Cl 41095038 QQHFOSQOPGJPGW-UHFFFAOYSA-N 342.247 4.053 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)COc1cc(C)c(Cl)c(C)c1 45890305 VQILPOSOEIJPEX-UHFFFAOYSA-N 346.858 4.427 0 40 EIAB CC(C)CCO[C@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 57994304 DFBGEYKROKLTDK-CQSZACIVSA-N 334.460 4.061 0 40 EIAB FC(F)(F)c1cnc(NC[C@@H]2COc3ccccc3O2)c(Cl)c1 58358212 BQWJZCKPIYZUPD-SNVBAGLBSA-N 344.720 4.006 0 40 EIAB CC(C)n1ncc(C(=O)NC[C@H](C)c2ccccc2)c1C(F)(F)F 58392895 GBFPPPQCSCDZJN-LBPRGKRZSA-N 339.361 4.016 0 40 EIAB O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)NC1CCCC1 71909890 SHXJZKDGGXQYMD-XMMPIXPASA-N 348.512 4.332 0 40 EIAB CSCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 71916619 FGMVJIKFSFKJOG-HNNXBMFYSA-N 344.480 4.492 0 40 EIAB CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214850 MNBIYXQAFKTPJI-INIZCTEOSA-N 333.476 4.388 0 40 EIAB c1ccc(-c2noc3ncc(-c4nnc(-c5cccnc5)o4)cc23)cc1 72271716 MRZXBUJRSSVQNJ-UHFFFAOYSA-N 341.330 4.002 0 40 EIAB COc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 72341888 CQOKCVSZFFGXET-UHFFFAOYSA-N 336.420 4.079 0 40 EIAB O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCCCC1 84562902 CSBMPOROMLXPJZ-UHFFFAOYSA-N 331.419 4.165 0 40 EIAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccncn3)cc2)n1 91695745 CPUNIRPCJFCQGJ-UHFFFAOYSA-N 344.340 4.290 0 40 EIAB COc1ccc(OC)c(C(=O)c2ccc(C)c(Br)c2)c1 95916708 XIEGATRZPYNQQO-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 96478595 KQVKRGFXFMVTSU-QWHCGFSZSA-N 330.403 4.205 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c(C)c1 102602060 JFWAHTOTLIRFHK-IPMKNSEASA-N 333.431 4.377 0 40 EIAB COC(=O)c1cccc2c1ccn2-c1cc(N)cc(C(F)(F)F)c1 199730642 JSHHPBVFNSDFCP-UHFFFAOYSA-N 334.297 4.018 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccccc2Cl)c1 220015945 RZHOVVDITGCBGU-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)S1 222603192 HZLLCEALRSHAFC-JQFCIGGWSA-N 340.496 4.227 0 40 EIAB O=C(COc1cccc2c1CCCC2)NCc1cccc2ccccc12 222893555 AAQDKKJCBQQQAG-UHFFFAOYSA-N 345.442 4.414 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 224190522 PEOMCZUXEPDASV-OALUTQOASA-N 349.459 4.469 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 224622539 PFJPHXASNKUIMS-KSSFIOAISA-N 331.843 4.417 0 40 EIAB COc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1C 225686220 JCVUBXBBPBJYKU-UHFFFAOYSA-N 341.451 4.153 0 40 EIAB Cc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1 226269872 HYLMEJZKAWCAOJ-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2ccc(O)cc2)s1 247830506 LGTBRJKPGGVDFV-IKGGRYGDSA-N 327.449 4.229 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1C 408701403 XJQBNCXJEMCRFS-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Cc1cccc(C)c1NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 454215430 YKFZRTZZJVKNSZ-SJORKVTESA-N 328.456 4.116 0 40 EIAB CC(C)Oc1ccc(N(C)C(=O)CC(F)(F)C(F)(F)F)cc1 1528909232 PWSYXKGPMSMTIW-UHFFFAOYSA-N 325.277 4.024 0 40 EIAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H]5N=NC=C5C[C@]4(C)[C@H]3CC[C@@]21C 1570001137 WHTKQORXELDYSO-YAOUEQLTSA-N 344.499 4.079 0 40 EIAB Cc1ccccc1CN1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1888853246 BAWKTCQJJBPPPC-ROUUACIJSA-N 338.499 4.252 0 40 EIAB Fc1ccc(CN2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 1889263472 ZHSYNRBWDYNRHN-AWEZNQCLSA-N 343.427 4.317 0 40 EIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccco1 87323 STIDEPANONMLDZ-UHFFFAOYSA-N 327.361 4.047 0 40 EIAB C[C@@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccccc4)cc23)C1 102758 FSZIIYFIPAZSOW-CYBMUJFWSA-N 341.432 4.358 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 568317 OWALTUHVSWVXOQ-UHFFFAOYSA-N 333.435 4.188 0 40 EIAB CCOC1=C[C@H](c2ccc3c(c2)OCO3)CC(=O)c2c(C)oc(C)c21 802303 AZTGJHWGQVQBQV-CQSZACIVSA-N 340.375 4.373 0 40 EIAB CC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236790 LKKHINZWIAAMMU-UHFFFAOYSA-N 328.751 4.081 0 40 EIAB biogenic CCS(=O)(=O)c1ccc(NC(=O)OC2CCCCCCC2)cc1 1703535 QOESITLLNWTIDR-UHFFFAOYSA-N 339.457 4.142 0 40 EIAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 2637426 JIYGYNFRAASBDF-UHFFFAOYSA-N 329.874 4.500 0 40 EIAB Cc1nc(COC(=O)C2c3ccccc3Oc3ccccc32)cs1 3354232 UEFCNCLMDFCOMF-UHFFFAOYSA-N 337.400 4.433 0 40 EIAB CCn1cc(SCC(=O)Nc2ccccc2OC)c2ccccc21 4060561 JZEALQUMMIEJNB-UHFFFAOYSA-N 340.448 4.401 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 4427354 WUQQBLWRKADKHW-NSHDSACASA-N 336.218 4.350 0 40 EIAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1c(F)cccc1Cl 4649424 CEHAYMLUGARGFJ-VGOFMYFVSA-N 348.786 4.111 0 40 EIAB COc1c2occc2c(OC)c2c(=O)cc(/C=C\c3cccnc3)oc12 4824974 SGXGOGAKYDJMPL-WAYWQWQTSA-N 349.342 4.122 0 40 EIAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC1CCCC1 4826063 ZFUALVLXAUYWAK-VIFPVBQESA-N 340.901 4.489 0 40 EIAB O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854341 KKRJUJANLXDINP-IBGZPJMESA-N 335.382 4.264 0 40 EIAB Cc1cc(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)c(C)o1 4930772 DJASPUCOQUIFSU-UHFFFAOYSA-N 346.766 4.322 0 40 EIAB COc1cc2c(cc1OC)[C@@H]1CC(C)=C(c3ccccc3)CN1CC2 4972678 LNSRYPKSYOWOPL-FQEVSTJZSA-N 335.447 4.480 0 40 EIAB CC[C@@H](COC(=O)c1ccc(N(CC)CC)cc1)NC1CCCCC1 5846113 PLQKKAZRAIJJLE-SFHVURJKSA-N 346.515 4.391 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1CCCc2ccccc21 6232069 CBRVKCASGRSMSY-KRWDZBQOSA-N 349.352 4.278 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1cc(Cl)c2c(c1)OCO2 8277260 BKOKUFXCIKTBPV-UHFFFAOYSA-N 328.126 4.114 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 8558209 IZVKDQSETQZKBE-QZTJIDSGSA-N 325.452 4.208 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cc(F)cc(F)c3)cc2)cs1 12613783 SZSAGIPMRXDMPN-UHFFFAOYSA-N 344.386 4.327 0 40 EIAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nncs1 12858430 JRIAMZKIGPTYEH-UHFFFAOYSA-N 337.429 4.198 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1cccc(N2CCCC2=O)c1 12877933 BUHRNWVCOCDLCU-UHFFFAOYSA-N 336.435 4.191 0 40 EIAB CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2ccccc12 15208087 BECZMSJLLFHAPH-UHFFFAOYSA-N 340.430 4.371 0 40 EIAB O=c1c2c([nH]c3c(-c4ccccc4)c(-c4ccccc4)nn13)CCCC2 17028421 UAJVKGDJFMEXMQ-UHFFFAOYSA-N 341.414 4.235 0 40 EIAB COc1ccc([C@H](Cc2ccccc2)NC(C)(C)CNC(C)C)cc1 19365961 WBKSWCGABCSIOB-NRFANRHFSA-N 340.511 4.345 0 40 EIAB CC1CCC(N2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 19889629 QOYFXKZRXSYXII-UHFFFAOYSA-N 340.433 4.402 0 40 EIAB CCOc1ccccc1CNC(=O)c1cc2ccccc2cc1OC 20041669 UGIPOVSLAOEMLY-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 20047035 JAZDOSHAMYQJPQ-CQSZACIVSA-N 335.403 4.348 0 40 EIAB COc1cc(OC)c(NC(=O)N[C@@H](C)c2cccs2)cc1Cl 20536172 KRJYSGUYKVLIST-VIFPVBQESA-N 340.832 4.301 0 40 EIAB Clc1snnc1CN1CCC[C@@H]1c1nc2ccccc2s1 23865227 MEZPVDJPSGEZMO-LLVKDONJSA-N 336.873 4.138 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)C1(C)C 25532786 UHNJKAOUMDDNMZ-APWZRJJASA-N 340.442 4.430 0 40 EIAB COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)c1 27584601 LGPCKEZLKFDSRZ-UHFFFAOYSA-N 332.403 4.246 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccc(F)cc1 27662742 UWDFFFFXPJUQKD-KRWDZBQOSA-N 346.471 4.234 0 40 EIAB O=C1CCCc2cc(-c3csc(NCc4ccco4)n3)ccc2N1 30446948 QQYAMPAJVUJKNT-UHFFFAOYSA-N 339.420 4.290 0 40 EIAB O=C(CCOc1ccccc1)Nc1cccc(CN2CCCCC2)c1 40090479 MVXUGLKMQKYCJT-UHFFFAOYSA-N 338.451 4.080 0 40 EIAB ClC(Cl)=C1N=C(c2ccccc2)NCc2nc3ccccc3n21 41097438 SEYAIYXAYKOMBC-UHFFFAOYSA-N 343.217 4.148 0 40 EIAB c1ccc2c(c1)oc1c(Sc3nnc(C4CC4)n3C3CC3)ncnc12 45351644 HTJDVERGOBCZIK-UHFFFAOYSA-N 349.419 4.331 0 40 EIAB CC(C)Oc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 48715390 DVKLCKVVNSVZDC-OAHLLOKOSA-N 338.451 4.209 0 40 EIAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@@H](C)C2)cs1 49982620 BEVIMMAXNBLRPG-OAHLLOKOSA-N 343.496 4.368 0 40 EIAB CCCn1c(SCc2cccc(F)c2)nnc1-c1ccncc1 58859401 GDYJQBUCRQRQJG-UHFFFAOYSA-N 328.416 4.182 0 40 EIAB Cc1cccc(C[S@@](=O)Cc2csc(Cc3ccccc3)n2)c1 64826698 JJNRMMJZKXPIQB-QHCPKHFHSA-N 341.501 4.491 0 40 EIAB Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccn2)cs1 69774883 XAYYWUNOBUBDMU-AWEZNQCLSA-N 337.448 4.250 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)S[C@H]1CCCc2ccccc21 69896573 YHJVPRVWUBKUPG-YOEHRIQHSA-N 343.496 4.175 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72214617 HNIICQCWQHLVEM-INIZCTEOSA-N 333.476 4.388 0 40 EIAB Cc1nc(C)c(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)s1 72296391 ORPVKUVYIYVEJA-UHFFFAOYSA-N 343.540 4.201 0 40 EIAB CC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 72353796 UDOKGDXQCIAENY-GOSISDBHSA-N 342.870 4.360 0 40 EIAB OCCCN(Cc1coc(-c2ccccc2)n1)[C@H]1CCc2ccccc21 72632375 ZIOYOTNZIRZSEA-NRFANRHFSA-N 348.446 4.214 0 40 EIAB C(=C/c1nc(-c2cccnc2Oc2ccccc2)no1)\c1ccncc1 74447762 DKWQVTMRJIGLSD-CMDGGOBGSA-N 342.358 4.489 0 40 EIAB O=C(CSCc1ccccc1)N(CCc1cccs1)C1CC1 75154797 AUZNUFITDDAREJ-UHFFFAOYSA-N 331.506 4.215 0 40 EIAB O=C(NCc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1 75157087 QUDVFSPHUAANSY-UHFFFAOYSA-N 334.872 4.491 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1ccccc1Cl 84736172 HTSGLJDFMSEAQY-PMUMKWKESA-N 334.891 4.028 0 40 EIAB Cc1ccc(C)c(OCc2nnc(SC3C[C@@H](C)O[C@H](C)C3)o2)c1 89623929 MEYGHLNDSZQLEB-ZIAGYGMSSA-N 348.468 4.314 0 40 EIAB CSC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 95963043 CUDUDHBFLGTHPH-WDEREUQCSA-N 332.296 4.308 0 40 EIAB CO[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccc(C)cc21 96100188 SYFXKOVCFCCHCK-QGZVFWFLSA-N 328.481 4.077 0 40 EIAB Fc1ccccc1CN1CCC[C@@]12CCCN(Cc1ccccc1)C2 96214671 RABOQESUFAVGDN-JOCHJYFZSA-N 338.470 4.456 0 40 EIAB Cc1csc([C@@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 96478508 ZEFBQNGFORPTFK-ACJLOTCBSA-N 344.480 4.415 0 40 EIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 102450995 PFJIIIZGBHEFKC-MXWKQRLJSA-N 337.345 4.347 0 40 EIAB C[C@@H]1CC2=Nc3nonc3N[C@H](c3ccc4ncccc4c3)C2=C(O)C1 102602635 XZKYGSHMXHSJRY-BMLIUANNSA-N 347.378 4.099 0 40 EIAB CC1CCN(Cc2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)CC1 102686074 GWTBKBBXVPMIIU-OAGGEKHMSA-N 347.528 4.140 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2 104492729 QBRZVAUIHARCSG-NCXUSEDFSA-N 337.548 4.233 0 40 EIAB CCOc1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cn1 206875155 CCCZBENBKHMJEO-KRWDZBQOSA-N 342.414 4.029 0 40 EIAB COc1ccc(-c2nnc(-c3cc4cccc(OC)c4nc3C)o2)cc1 216612868 ISPBMKCXXDIRNM-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB CCOc1ccc(-c2nc3cc(N)ccc3o2)cc1Br 216731770 KYURGSBEPYECRL-UHFFFAOYSA-N 333.185 4.238 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 219955463 FKCJKKAPDQVGRL-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3ccccc3C)c(C)n2)cc1 222576024 HCOXTWYQJMAQLI-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB Cc1cccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 223390690 DRFDKCURVYVKEF-CQSZACIVSA-N 349.883 4.324 0 40 EIAB C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(F)cc1 224059494 NJELBESDXFXLOV-LBPRGKRZSA-N 343.789 4.156 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCc1ccc(F)cc1 224421744 MDVVTOXKECRDAN-HNNXBMFYSA-N 329.415 4.075 0 40 EIAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccccc2)c(C)c1 225281036 MALHRLGGCFLWBS-AWEZNQCLSA-N 342.464 4.219 0 40 EIAB COc1ccccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225770226 MQHOTRGTBFTRTK-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225893620 DHOGOJSVXDDEFA-FQEVSTJZSA-N 344.455 4.413 0 40 EIAB O=S(=O)(Nc1ccccc1Cl)c1ccc2c3c(cccc13)CC2 226862094 YMTDPVJVEBAOIZ-UHFFFAOYSA-N 343.835 4.393 0 40 EIAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)cc1 408812557 NJIRLIJKHPOIOB-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB COc1ccccc1NC(=O)N[C@@H](c1cccs1)C1CCOCC1 1565523808 WWOIECCEWKSANP-QGZVFWFLSA-N 346.452 4.046 0 40 EIAB Oc1ncc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c2ccccc12 1657765904 AZJIKHBQOUKANZ-SFTDATJTSA-N 348.446 4.029 0 40 EIAB CO[C@@H]1CC2(CCN(C(=O)c3ccc(C)o3)CC2)c2cc(C)ccc21 2055806620 ARIOYWPZLDOCRZ-LJQANCHMSA-N 339.435 4.162 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C)C2 127442 VCVNTURQCBWDAC-NSHDSACASA-N 328.437 4.084 0 40 EIAB CN1CCN(c2c3c(nc4ccccc24)[C@@]2(C)CC[C@@H]3C2(C)C)CC1 214975 GRIFRVOZXAODGO-KSFYIVLOSA-N 335.495 4.162 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 362560 PCTBWULJAUFWQW-UHFFFAOYSA-N 333.453 4.184 0 40 EIAB CCSc1nnc(CNc2ccc(F)cc2)n1-c1ccc(C)cc1 421979 DTSOYXLADGFOOM-UHFFFAOYSA-N 342.443 4.439 0 40 EIAB O=C(O)/C(=C\c1ccc2ccccc2n1)Cc1ccc2ccccc2n1 1666715 KWACQLPMMSJLIC-LGMDPLHJSA-N 340.382 4.494 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(C)=O)cc1 3190825 RRYAPQFXTRPAEP-UHFFFAOYSA-N 334.375 4.059 0 40 EIAB CC(=O)Nc1ccc(-c2ccc3nn(-c4ccccc4)nc3c2)cc1 3844698 HEKFNHKXGQDHLU-UHFFFAOYSA-N 328.375 4.046 0 40 EIAB biogenic CCCCC(=O)Nc1nc(-c2ccccc2)c(C(=O)OCC)s1 4031735 PHSDYSXDYPGUPM-UHFFFAOYSA-N 332.425 4.116 0 40 EIAB Cc1cccc(CC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 4138251 YOVBQJFYJCQNLL-UHFFFAOYSA-N 332.447 4.214 0 40 EIAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)cc1C 4329832 GTTQEGURSSBJNM-FQEVSTJZSA-N 346.434 4.137 0 40 EIAB CCCC(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl 4386305 ZEXPQBMYSUCURW-UHFFFAOYSA-N 341.842 4.154 0 40 EIAB CC(C)N(CCNc1ncnc2c1[nH]c1ccc(Cl)cc12)C(C)C 5217252 BBYWAKHSHVBRPU-UHFFFAOYSA-N 345.878 4.295 0 40 EIAB CC(=O)Nc1ccc(C(=O)OCCSc2ccc(Cl)cc2)cc1 5459297 CPEMRHZFEWXNTA-UHFFFAOYSA-N 349.839 4.248 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)n1cnc2ccccc21 5536489 JPLVXLXDQQDCJO-UHFFFAOYSA-N 337.766 4.342 0 40 EIAB O=C1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 5722018 FNCDHQKMLISAQE-OAQYLSRUSA-N 330.383 4.245 0 40 EIAB O=C1Nc2ccccc2S[C@@H]1Nc1cc(Cl)cc(Cl)c1 6938222 CLKALEIZDZQGIV-AWEZNQCLSA-N 325.220 4.476 0 40 EIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1 9196635 MRAZVVDGKKNVKD-UHFFFAOYSA-N 341.798 4.351 0 40 EIAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c(Cl)c1 10311106 ASBFEAMZPYWFIB-GOSISDBHSA-N 328.843 4.424 0 40 EIAB COc1cccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 12856768 CAFZXEVYKBNFDA-HNNXBMFYSA-N 333.840 4.316 0 40 EIAB CC(C)n1ncc2c(C(=O)Nc3cccc(F)c3)cc(C3CC3)nc21 12916841 QQIOYOZEPNIOTR-UHFFFAOYSA-N 338.386 4.281 0 40 EIAB O=C1NC(=O)/C(=C/c2ccccc2Oc2ccc(Cl)cc2)S1 12958945 CERLIWVZUDWLJS-ZROIWOOFSA-N 331.780 4.456 0 40 EIAB Cc1c(Cl)c(CN2C(=O)CC3(CCCC3)C2=O)nc2ccccc12 12978133 MAOLLXVBENDYHK-UHFFFAOYSA-N 342.826 4.016 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)n1 13002450 BSOTWQNYMFXYIJ-HNNXBMFYSA-N 331.419 4.081 0 40 EIAB O=C(c1cc(-c2csc(NC3CCCCC3)n2)c[nH]1)N1CCCC1 14137904 GYFFWVCNELKFEL-UHFFFAOYSA-N 344.484 4.119 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(F)cc3Br)ccc2o1 15600315 ROPCMENYTYKKLM-UHFFFAOYSA-N 349.159 4.290 0 40 EIAB CSc1ncccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 15990573 RBVZXGHCBSSMRH-UHFFFAOYSA-N 341.263 4.383 0 40 EIAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c1 17918285 QAYNMJLDVSHENX-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 18241349 TTZPHNFNLGIKKS-ROUUACIJSA-N 333.387 4.243 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 18702797 CYNQJDQFXODACV-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB C[C@H]1c2ccsc2CCN1Cc1cccc(OC[C@@H]2CCCO2)c1 19498365 DJCFMTRMFOSGIU-YJBOKZPZSA-N 343.492 4.425 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 20108912 YUHBGZULRPRRBY-LJQANCHMSA-N 327.424 4.498 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1 20459124 ILVDEQRMECUVSU-INIZCTEOSA-N 343.492 4.066 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCCC2)cc1 20460787 DZGWJEZDIOITQD-NRFANRHFSA-N 334.463 4.090 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)OCc1coc(-c2ccccc2)n1 24811495 LJTJEDVJGHSLQD-UHFFFAOYSA-N 332.359 4.109 0 40 EIAB O=c1nc(SCc2ccccc2)c2c(n1Cc1ccccc1)CCC2 27993451 KZLLGANDYUFZGY-UHFFFAOYSA-N 348.471 4.073 0 40 EIAB CC(C)Oc1ccc([C@@H](CCNC2CCN(C)CC2)C(C)C)cc1 31817900 UPCRAPFPEZOGTA-NRFANRHFSA-N 332.532 4.287 0 40 EIAB Cc1ccc(CCC(=O)Nc2cc3c(cc2Cl)OCCO3)c(C)c1 32865671 ADNWSEZVNQSMMO-UHFFFAOYSA-N 345.826 4.299 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 36351188 QGQQDNQFNPPGQK-ROOHIHILSA-N 344.430 4.333 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2cccc(F)c2F)C1 36359222 NRSBFTYTDIWQAZ-NSHDSACASA-N 343.308 4.413 0 40 EIAB COc1ccc(Br)cc1CN[C@H]1CCCc2occc21 37311131 BFBUEZDHJZTGLB-AWEZNQCLSA-N 336.229 4.218 0 40 EIAB Nc1ccc(-c2nc3cc4nc(-c5ccc(N)cc5)oc4cc3o2)cc1 38846191 NLSDWNRBMSRTQT-UHFFFAOYSA-N 342.358 4.467 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3c3ccsc3)c2)cs1 46913220 MXAOAXNUISJWHQ-MRXNPFEDSA-N 343.477 4.485 0 40 EIAB Cc1noc([C@@H](C)Sc2ncc(-c3ccccc3)n2C2CC2)n1 48261269 REQAUZYXPPLULZ-LLVKDONJSA-N 326.425 4.430 0 40 EIAB COc1cc(CNC(=O)c2cccs2)ccc1OC1CCCC1 48281539 VHTMJKNHKWOXKL-UHFFFAOYSA-N 331.437 4.008 0 40 EIAB Cc1ccc2nc(C)cc(C(=O)N(Cc3ccccn3)C(C)C)c2c1 48300314 OTIFRKUWDWOUFR-UHFFFAOYSA-N 333.435 4.297 0 40 EIAB Cc1nc(C)c([C@@H](C)NC(=O)N2CCc3sccc3[C@H]2C)s1 57283654 OFZPNYLUYSOSKZ-GHMZBOCLSA-N 335.498 4.211 0 40 EIAB COC(=O)c1cccc(C(=O)N[C@H](c2cccs2)C2CCCC2)c1 58305214 MCCWFDOTSQADTK-KRWDZBQOSA-N 343.448 4.196 0 40 EIAB CCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C 65322292 FRPNELDECWNIAG-UHFFFAOYSA-N 342.487 4.198 0 40 EIAB C[C@H](Nc1nc2ccccc2s1)c1cccc(N2CCOC2=O)c1 68686740 GRFDKFUBSWJXOE-LBPRGKRZSA-N 339.420 4.426 0 40 EIAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccncc1 69705793 IWFYHVGOQWQNBB-AWEZNQCLSA-N 336.464 4.452 0 40 EIAB CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 72302488 QKVDNDQCXUJFCD-CVEARBPZSA-N 346.272 4.320 0 40 EIAB Fc1cccc(-c2cncc(C3CCN(Cc4ccccn4)CC3)n2)c1 72359428 CKRJUQSCQLOMKG-UHFFFAOYSA-N 348.425 4.057 0 40 EIAB CC(C)N(C)c1cccc(NC(=O)NC(C)(C)c2nccs2)c1 75140186 DZTLJRHXANRNNE-UHFFFAOYSA-N 332.473 4.045 0 40 EIAB CN(Cc1cc(Cl)cc2cccnc12)[C@@H](CCO)c1ccccc1 75897471 NLAIHDHWSMJTRC-IBGZPJMESA-N 340.854 4.444 0 40 EIAB C[C@@H]1CN(c2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)O1 76062727 QHDZFOPPOIRXAE-SECBINFHSA-N 330.375 4.319 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1C[C@H]1c1ccccc1 84028852 PKODJPPMFIXXLY-FPOVZHCZSA-N 328.415 4.343 0 40 EIAB Cc1ccc([C@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1C 95420651 MXNDPJGQMIBZRQ-SFHVURJKSA-N 336.479 4.277 0 40 EIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 97022860 LLPUDYGWRZJCLD-PXAZEXFGSA-N 329.419 4.023 0 40 EIAB O=C(O)[C@]12C[C@@H]3C[C@@H](CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C1)C2 100033309 GLJDZZQQPFAEPQ-ZPVOKFTLSA-N 330.268 4.193 0 40 EIAB CCN1C(=O)[C@H](Cc2cc(OC)c(OC)cc2Cl)c2ccccc21 101014093 XICYBXTXPTUORA-CQSZACIVSA-N 345.826 4.050 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C)c1 113970277 CPSRDDOIMAUPDD-SFHVURJKSA-N 331.843 4.431 0 40 EIAB Cc1ccn(-c2ccccc2CNC(=O)N2C[C@@H](C)c3ccccc32)n1 155146444 QVENQTFRBDJQTH-OAHLLOKOSA-N 346.434 4.014 0 40 EIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(Cl)c2)S1 222580835 DEEMIZKCPKMIGA-JQAFLVLXSA-N 345.855 4.030 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 222973684 PICSFONUXFEZBC-MSOLQXFVSA-N 342.512 4.237 0 40 EIAB O=C(NC1CCCCCCC1)c1ccc2c(c1)OCC1(CC1)CO2 225367996 XQDWQRHPDFLVOX-UHFFFAOYSA-N 329.440 4.081 0 40 EIAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1 225452554 YSNVTYHSKXGODP-UHFFFAOYSA-N 342.855 4.012 0 40 EIAB CC(C)(C(=O)Nc1ccc(OC2CSC2)cc1)c1ccccc1 225943953 YZWZVPMHRSFTKA-UHFFFAOYSA-N 327.449 4.097 0 40 EIAB COc1cccc(C(=O)N2CCCCCCNCc3ccccc32)c1 643587387 BMPXBYGQVXAHFU-UHFFFAOYSA-N 338.451 4.006 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)C(=S)NC1CCCCC1 41477 OKJOPQIGGGCHMW-UHFFFAOYSA-N 331.268 4.182 0 40 EIAB CCCc1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 147123 UOKWRSWOPHZYAS-BQYQJAHWSA-N 342.251 4.449 0 40 EIAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1 508092 QSUMFXRGARKFJL-OAHLLOKOSA-N 345.402 4.169 0 40 EIAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1C 1260958 RMACBCLPKXSKBY-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB CCOP(=O)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 2040827 FDYMERLIFOUIRZ-UHFFFAOYSA-N 346.703 4.315 0 40 EIAB CSc1ccccc1NC(=O)CSc1ncnc2ccccc12 3313660 JRAKHSKFQUKLHW-UHFFFAOYSA-N 341.461 4.083 0 40 EIAB CC(C)CC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305486 IHTVGLZDRITZCF-QGZVFWFLSA-N 328.481 4.014 0 40 EIAB O=c1nc(SCc2ccc(Cl)cc2Cl)c2c([nH]1)CCCC2 4317103 KADAMWGTRIUAJK-UHFFFAOYSA-N 341.263 4.248 0 40 EIAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 4457107 YHKRMUYDMVTNKX-JASJWYONSA-N 344.411 4.451 0 40 EIAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)cs2)C1=O 4694872 KGQGPEDHWGFXAZ-OYSUNCFMSA-N 346.271 4.345 0 40 EIAB O=c1[nH]c(CSc2cccc(C(F)(F)F)c2)nc2ccsc12 5174295 VWPJWPCWNWLFNR-UHFFFAOYSA-N 342.367 4.296 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2ccccc12 5412306 URAQWNNXUQSTEQ-UHFFFAOYSA-N 343.379 4.469 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C 6865862 WAABHKUHBNXTPS-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB COc1ccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 7652793 UWILENBWJHMEIQ-HNNXBMFYSA-N 336.435 4.188 0 40 EIAB COc1ccc(C)cc1NC(=O)c1c2c(nc3ccccc13)CCC2 7971450 DJNNLQLUIYCBIB-UHFFFAOYSA-N 332.403 4.293 0 40 EIAB CCCc1nnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 7996126 OCBBUPRKXXYFFJ-UHFFFAOYSA-N 344.465 4.175 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1 8157002 IWDZBCFNOIPMPQ-MRXNPFEDSA-N 347.846 4.282 0 40 EIAB O=C1CCCN1c1cccc(-c2csc(-c3ccc(O)cc3)n2)c1 8297698 NRDLBIQCSPAYOB-UHFFFAOYSA-N 336.416 4.310 0 40 EIAB CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2ccccc2c1 8748906 RDAJWBNHZGYGRH-UHFFFAOYSA-N 343.423 4.190 0 40 EIAB Clc1ccc(CSc2nnc3n2CCN3c2ccccc2)cc1 9574078 IZQKKRRSJHIHFV-UHFFFAOYSA-N 342.855 4.376 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 11916786 FCQZTZQIZFEZQM-UHFFFAOYSA-N 326.327 4.050 0 40 EIAB O=C(Cc1ccsc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188113 AYFXDSNXCQGLJJ-SFHVURJKSA-N 336.460 4.245 0 40 EIAB CC[C@@H](Nc1ccc2oc(C)nc2c1)C(=O)Nc1ccc(F)cc1 12521780 ZVXZOAFIKSIUOP-OAHLLOKOSA-N 327.359 4.105 0 40 EIAB Cc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1C 12756214 GPKDYWJVQIPDGQ-HOTGVXAUSA-N 342.508 4.161 0 40 EIAB COc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)c(OC)cc1Cl 12775140 HWPIYKMQVCFXBW-UHFFFAOYSA-N 349.858 4.368 0 40 EIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(Cl)cc1 12934060 JUEZBCOIMFDVRV-UHFFFAOYSA-N 335.860 4.035 0 40 EIAB C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 14171407 KXYHHYSZXVORTQ-ZIAGYGMSSA-N 347.499 4.237 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C(C)C 16780040 JOACTTDMLJGZNA-WMLDXEAASA-N 339.501 4.066 0 40 EIAB Cc1ccc(-c2cc(C(F)F)nc3sc4c(=O)[nH]cnc4c23)cc1 18162315 CVYOXKFJIJOEPI-UHFFFAOYSA-N 343.358 4.446 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1cccc(Br)c1 20029730 AZIPKRRGESSPOU-SECBINFHSA-N 340.167 4.218 0 40 EIAB COc1cc(Cl)c(NC(=O)CCCc2cccs2)cc1OC 23054183 ODQOILIZARUCKT-UHFFFAOYSA-N 339.844 4.380 0 40 EIAB Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccccc3C)c2C)cc1 24831401 IQFJWEGUJNREHC-MRXNPFEDSA-N 333.435 4.289 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 24990455 NKDVRLKHRHGYFS-CTJLAXPCSA-N 334.419 4.248 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)on1 26368772 BFAZNNILQMHYCI-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccccc1-c1ccccc1 29852113 SEMQGWCTZSRLGQ-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB Cc1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)sc1C 32776636 HFJWGZIPWLOZJL-MRXNPFEDSA-N 331.437 4.175 0 40 EIAB CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)C(C)(C)C)n2)c1C 36614184 JQIFWPFLZLDKSR-LLVKDONJSA-N 337.418 4.453 0 40 EIAB FC(F)(F)Oc1ccccc1NCc1nc(-c2ccsc2)no1 36652371 CYHLVALTEYYLJW-UHFFFAOYSA-N 341.314 4.309 0 40 EIAB Cc1c(C(=O)N2CCOc3ccccc32)oc2ccc(Cl)cc12 36763881 RECKEPPZFVZSNY-UHFFFAOYSA-N 327.767 4.434 0 40 EIAB Cc1cc(C(=O)COc2cnc(-c3ccccc3)nc2)c(C)n1C1CC1 40091273 HTHKNYJQQGKPFO-UHFFFAOYSA-N 347.418 4.159 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)N1CCC[C@@H]1c1cccc(Cl)c1 40150535 BTYCUZYOIYGNQW-CYBMUJFWSA-N 348.859 4.438 0 40 EIAB C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)n1cnc2ccccc21 43841643 DXKKXMSEKVUNCJ-BBRMVZONSA-N 325.437 4.023 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2ccccc2-n2ccnc2)c1 45859966 HXNCSEBOPWFNOT-UHFFFAOYSA-N 343.839 4.500 0 40 EIAB CCCc1cc(=O)oc2cc(OCc3nnc(C(C)(C)C)o3)ccc12 46084359 KBQOJGYUKOTEQF-UHFFFAOYSA-N 342.395 4.005 0 40 EIAB CCCn1cc(C(=O)Nc2nc3c(s2)CCC3)c2ccccc21 58366898 BRSIVTOGRIELHB-UHFFFAOYSA-N 325.437 4.249 0 40 EIAB Cc1nccn1[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 69810220 WCXGNPZTNSZCBW-SFHVURJKSA-N 345.874 4.031 0 40 EIAB O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 71979023 NDMVZAFLTZGGCA-HNNXBMFYSA-N 334.297 4.097 0 40 EIAB CC(C)c1nc([C@@H]2CCCN2CCCc2nc3ccccc3o2)no1 72279399 NLLOAVDFVRDGIT-HNNXBMFYSA-N 340.427 4.104 0 40 EIAB CSc1ccc(CNCCNc2ccc(C(F)(F)F)cn2)cc1 79061150 XPUJTISCUKEIGE-UHFFFAOYSA-N 341.402 4.024 0 40 EIAB O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCSCC1 85651689 HFZFZVAGOJCQCM-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1nsc2ccccc12 91351473 FDTAGAYLCZEALS-ZDUSSCGKSA-N 347.484 4.180 0 40 EIAB CSCC[C@H](N[C@@H](C)c1cccc(C)c1)c1nnc2ccccn12 95419561 KVQVFBJSCAZXGB-RDJZCZTQSA-N 340.496 4.183 0 40 EIAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccc(Cl)cc2)n1 96296230 NMSSNZWEUBIXIN-HNNXBMFYSA-N 334.847 4.199 0 40 EIAB biogenic,in-vitro COc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(OC)c1 102204381 WFDBFLRSXWVLDR-NYYJTOMGSA-N 349.858 4.220 0 40 EIAB Clc1ccc(Cl)c(-n2ncc3c(Cl)nc(Cl)nc32)c1 140023857 XXCGVQOIFLYKRK-UHFFFAOYSA-N 333.993 4.429 0 40 EIAB C[S@](=O)Cc1cc(NCc2cc(F)c(F)c(F)c2)ccc1Cl 195559119 JSAXFRJGKZJLGB-QFIPXVFZSA-N 347.789 4.248 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)COc1ccccc1Cl 216748325 PQQJKMNUIWMXES-UHFFFAOYSA-N 343.766 4.021 0 40 EIAB CCOc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584113 ZKMNCEOQANAPST-MORSLUCNSA-N 339.464 4.070 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(C)c(C)c1 222815363 ZPFHWIFZWDFRAT-LJQANCHMSA-N 325.452 4.430 0 40 EIAB Cc1ccc(OCC(=O)NCCSCc2ccccc2C)c(C)c1 222824820 KCARNIGATDUPMT-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223170623 NRSHHRFZURVMSY-QGZVFWFLSA-N 337.463 4.381 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C)n1 225901674 IHOBZWQVPYAMBU-UHFFFAOYSA-N 334.460 4.103 0 40 EIAB O=C(NCCC1=CCCCC1)c1cc2cccc(Cl)c2oc1=O 226038903 LSIXTBLIXCSZBX-UHFFFAOYSA-N 331.799 4.067 0 40 EIAB CC(=O)N(c1ccccc1)C1CCN(CCc2ccc(C)cc2)CC1 230598098 BBMRIHXVAUNKEV-UHFFFAOYSA-N 336.479 4.055 0 40 EIAB in-vitro O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 408763889 LCFYRDVBSLFRFU-XAMWDVODSA-N 329.399 4.055 0 40 EIAB CCn1c(C)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1C 408960951 KBVCJKFBJZQMIF-LFIBNONCSA-N 326.421 4.366 0 40 EIAB Cc1cc(C(=O)NC[C@H](C)C2CC2)c2cc(Br)ccc2n1 624894557 FAPZYNGSQYQEJK-JTQLQIEISA-N 347.256 4.082 0 40 EIAB O=C(CCCc1cccnc1)Nc1ccc(Oc2ccncc2)cc1 1528651386 HXSBSANKGWSBAS-UHFFFAOYSA-N 333.391 4.230 0 40 EIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccccc1 342772 FVLSQZGNNDUDAQ-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc(Cl)c1 569378 YVQQTGWGAUCGHS-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 1000986 RRNHRMGSXVJGSW-UHFFFAOYSA-N 329.421 4.329 0 40 EIAB CC(C)S(=O)(=O)/C(Cl)=C(/Cl)C(Cl)=C(Cl)Cl 1728408 SOAVDYJCZWYNRK-FNORWQNLSA-N 332.463 4.342 0 40 EIAB Cc1c(Cl)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 1857504 YXEWWJGSFMYIIE-UHFFFAOYSA-N 328.751 4.017 0 40 EIAB COc1cccc(CNC(=O)c2ccccc2OCc2ccccc2)c1 2643355 ISCCRPFGODPLFY-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB COc1cccc([C@H](C)NC(=O)c2csc3c2CC[C@@H](C)C3)c1 2730438 IJLMIQZTLLFXAO-OLZOCXBDSA-N 329.465 4.373 0 40 EIAB CN1CCN(c2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1 3325924 JBWJPEFUUSRVGL-UHFFFAOYSA-N 335.476 4.229 0 40 EIAB C[C@H]1CC[C@](C)(C(=O)CN(C)C(=S)Nc2ccccc2)C1(C)C 3846115 ZBKDFFSDJDPMJR-IFXJQAMLSA-N 332.513 4.347 0 40 EIAB biogenic CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1 4135317 NKKTWNIXKJCUJA-MDZDMXLPSA-N 341.388 4.323 0 40 EIAB CC(=O)Nc1cccc(-c2csc(Nc3cccc(O)c3)n2)c1 4458432 AXERHRTWWHUNGZ-UHFFFAOYSA-N 325.393 4.218 0 40 EIAB CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C 4980909 XTMNRWGCKJTXFL-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB CC1(C)[C@H]2C[C@@](C)(Cl)[C@H](Sc3nnn(-c4ccccc4)n3)C[C@H]21 5180112 SSQSSYIXOVMRJG-UMPJEAMMSA-N 348.903 4.187 0 40 EIAB CCOc1ccc(-n2c(S)nnc2-c2c[nH]c3ccccc23)cc1 5891003 MGJNVHFYOJBWTC-UHFFFAOYSA-N 336.420 4.103 0 40 EIAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 6425503 XZYYBLQHRDZMHA-UHFFFAOYSA-N 342.251 4.131 0 40 EIAB O=C(NCCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 6471632 MRERXDLHMIRTFT-UHFFFAOYSA-N 326.293 4.209 0 40 EIAB Fc1cccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)c1 6828864 AOIGBQZRLNKLET-UHFFFAOYSA-N 337.782 4.078 0 40 EIAB CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C 7193811 KCQPUCBCYOKINS-UHFFFAOYSA-N 345.424 4.051 0 40 EIAB CCOc1ccc(-c2nc(NC(=O)c3cc(C)on3)sc2C)cc1 8734573 PGBXEOLZYIPNFI-UHFFFAOYSA-N 343.408 4.066 0 40 EIAB Cc1nc(NCCc2ccccc2F)c2c3c(sc2n1)CCC3 9454924 BSKQDXMLTCRSBU-UHFFFAOYSA-N 327.428 4.282 0 40 EIAB CCCCn1cnc2cc(NC(=O)COc3ccc(C)cc3)ccc21 9504261 KYOFQNGQDTZQMA-UHFFFAOYSA-N 337.423 4.162 0 40 EIAB CCOc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1 10448479 IWCLZXIBDPSQGA-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(OC)c1 11342812 YIPZDJXAMFKEAB-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CCCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 12539538 SVKAOORHTBPJNA-AWEZNQCLSA-N 325.412 4.311 0 40 EIAB Cc1c(C(=O)OCc2nc3ccccc3s2)cnn1-c1ccccc1 12581758 TYDSGCLYAVFCCW-UHFFFAOYSA-N 349.415 4.147 0 40 EIAB COC(=O)c1cccc(OCc2ncc(-c3cccc(Cl)c3)o2)c1 12875059 YTXBJIPOFZLYSB-UHFFFAOYSA-N 343.766 4.361 0 40 EIAB CCOc1ccccc1CCCNC(=O)CCc1ccc(C)cc1 13667689 FIIPHVQTVYMOGR-UHFFFAOYSA-N 325.452 4.075 0 40 EIAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)(C)C 13787950 WGSSERNWLUNMSM-UHFFFAOYSA-N 328.456 4.011 0 40 EIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc2ccccc12 14077806 BQTSQOFYEIYTMJ-OAHLLOKOSA-N 342.398 4.294 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1 14233516 VOFGCSIJBGTHJF-UHFFFAOYSA-N 336.863 4.062 0 40 EIAB CCc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 14247066 UMVDPIZETVAQGV-HXUWFJFHSA-N 334.419 4.152 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(F)c(F)c1 15582157 RIOCHZCKDPKRJD-UHFFFAOYSA-N 341.405 4.116 0 40 EIAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 18247232 KBSWKXKTLUQVDA-ZOCIIQOWSA-N 335.403 4.405 0 40 EIAB O=C(C1CCCCC1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19405447 GPJVVCJMEZMOLM-GOSISDBHSA-N 338.455 4.106 0 40 EIAB CCn1nc(C)c(-c2cncn2CCCOc2ccccc2C)c1C 19719630 PLXBGFZSUNRJFG-UHFFFAOYSA-N 338.455 4.161 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2sccc2C)c(OC)c1 22383578 UYUZJRZRPKOXRI-OAHLLOKOSA-N 331.437 4.051 0 40 EIAB CC(=O)Nc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 24248148 YCDMMONKKIISJU-UHFFFAOYSA-N 325.286 4.123 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(OCc2ccncc2)cc1 24442450 CBIRSHJQTCYOGS-MRXNPFEDSA-N 344.414 4.252 0 40 EIAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1 30850573 QSEJWMAEYVQBDO-KRWDZBQOSA-N 337.872 4.219 0 40 EIAB COc1ccc(C)cc1-c1csc(NC(=O)CC[C@@H]2CCCO2)n1 31890096 VQEVRSZFYPCTJA-ZDUSSCGKSA-N 346.452 4.025 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N(C)C1CCCCC1 31903806 DDERHCWRQOTABS-UHFFFAOYSA-N 336.284 4.255 0 40 EIAB CCc1sc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C 32667808 KJDYWAGRQFMPMV-HNNXBMFYSA-N 346.496 4.169 0 40 EIAB CCCCc1ccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1 32885579 ZSHLMMUOXUOLHV-AWEZNQCLSA-N 338.407 4.137 0 40 EIAB Cc1oc(-c2cccs2)nc1Cn1c(=O)oc2cc(Cl)ccc21 32893153 JGVOWRFBAYYWEQ-UHFFFAOYSA-N 346.795 4.321 0 40 EIAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)c1C 32911887 GVFQGMQYSOCWLB-GOSISDBHSA-N 346.496 4.083 0 40 EIAB Clc1ccc(Cl)c(-c2nnc3sc(C4CCC4)nn23)c1 36352801 KUZPJCCTEKXCIE-UHFFFAOYSA-N 325.224 4.427 0 40 EIAB COc1ccc(CN[C@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1OC 40088616 FSFGVNBLSLRHKA-CVEARBPZSA-N 335.488 4.407 0 40 EIAB CCc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 44845442 WDLHYWLCLULMFI-CYBMUJFWSA-N 328.412 4.149 0 40 EIAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)c(C)c1 51354028 XYALWTJIISGXDU-UHFFFAOYSA-N 349.789 4.200 0 40 EIAB Clc1ccccc1[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1 52211342 XXMSZCNEFSPTKA-INIZCTEOSA-N 340.814 4.122 0 40 EIAB CC(C)Sc1ccccc1C(=O)NCCN(C)c1ccccc1 53207322 JFMIRKKQTOMUAF-UHFFFAOYSA-N 328.481 4.053 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 65535902 CWDTVQHOFJQRRN-MRXNPFEDSA-N 332.444 4.277 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3CO)ccc2c1 68755671 ZWABMEWKBUMVFV-CQSZACIVSA-N 335.403 4.083 0 40 EIAB O=C1CCCN1c1cccc(-c2csc(-c3ccccc3O)n2)c1 68945916 UUHKIRUYNVDWBT-UHFFFAOYSA-N 336.416 4.310 0 40 EIAB CC(C)[C@@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 71829984 AMPRCNLDYKFBNZ-HNNXBMFYSA-N 348.393 4.199 0 40 EIAB Cc1cc(C)c(NC(=O)NC2(c3noc(C)n3)CCCC2)c(Cl)c1 71911722 HPVDLXUPOKLFOJ-UHFFFAOYSA-N 348.834 4.239 0 40 EIAB CO[C@H](C(=O)NCCc1cc(Cl)cc(Cl)c1)c1ccccc1 72040469 LNLOBONKSNHCQL-INIZCTEOSA-N 338.234 4.040 0 40 EIAB Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCc2ccccc2C1 72222856 HSKLABVNZBJSDT-NRFANRHFSA-N 329.447 4.001 0 40 EIAB Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 78579259 GYVQNKWLFPABFJ-VAWYXSNFSA-N 347.418 4.025 0 40 EIAB CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(C(F)(F)F)c1 78594911 VQYGMKIPTCZIPK-OAHLLOKOSA-N 340.389 4.249 0 40 EIAB CC(C)(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1 84169308 SXFQZRXJHOUFEH-QGZVFWFLSA-N 349.521 4.303 0 40 EIAB Cc1c(C(=O)N[C@@H](CC(C)C)c2ccccc2)sc2nccn12 89565354 GSTZZHNZLVXTTG-HNNXBMFYSA-N 327.453 4.221 0 40 EIAB NC(=O)c1cccc(CNc2cccc(CSc3ccccn3)c2)c1 89883936 RLBLHZRVZXOKKQ-UHFFFAOYSA-N 349.459 4.085 0 40 EIAB CCC(CC)n1ncc(C(=O)N(C)[C@H](C)c2ccccc2OC)c1C 89943205 ZSSPFSFDZLAWHL-CQSZACIVSA-N 343.471 4.394 0 40 EIAB CCCNc1nnc(SCCSc2ccc(F)cc2)s1 95389774 WNSMGEGBULVWRO-UHFFFAOYSA-N 329.491 4.384 0 40 EIAB Cc1nnc(-c2cccc(NCc3ccccc3OC(F)F)c2)o1 95429208 PLPZKKWLLNLSAI-UHFFFAOYSA-N 331.322 4.259 0 40 EIAB COc1ccc2oc(CN3CCC(Cc4cccnc4)CC3)cc2c1 95468640 FNDKMJUHZWPYNX-UHFFFAOYSA-N 336.435 4.291 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1CC1(Cl)Cl 97427162 UITOKHSTCDFHHQ-SNVBAGLBSA-N 345.226 4.005 0 40 EIAB Cc1ccc2c(CN[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2c1C 103253613 WDMNAJCSKSYSCM-IUVQAAGXSA-N 325.452 4.324 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)c(C)c1 113960335 KNGCIGUQRSSWOG-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC)c1 113970550 IMOQHXLTNVROJM-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB C[C@@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1c(F)cccc1F 154652301 REBLVEOBRWKINN-SNVBAGLBSA-N 344.283 4.059 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)CSC3CCCC3)C2)cc1 206882594 GKYXGYNGODZPFK-QGZVFWFLSA-N 347.524 4.467 0 40 EIAB Cc1ccccc1[C@H]1CCN(C(=O)c2cccnc2C)CCS1 219294427 DKDPKANXTQYTEP-GOSISDBHSA-N 326.465 4.019 0 40 EIAB COc1ccc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2c1 223370567 XKLRCTAXBLBOBD-UHFFFAOYSA-N 347.480 4.240 0 40 EIAB CCc1ccc(OCCNC(=O)[C@H](C)SCc2ccccc2)cc1 223412621 VYFFKGABHUGZSQ-INIZCTEOSA-N 343.492 4.066 0 40 EIAB Cc1ccc(CSCCNC(=O)Cc2ccc(C)cc2C)cc1 224191876 DHNZOMDKRPCNRU-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c2ncccc12 225895550 RBAJPVTTXYNNKL-IBGZPJMESA-N 330.428 4.167 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1cc2cc(C)ccc2oc1=O 226037657 CMEWOXJVKAQYQE-UHFFFAOYSA-N 335.403 4.479 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCC[C@H](C)C1 226330474 BAHHRYPXNWHVRQ-ZDUSSCGKSA-N 341.430 4.205 0 40 EIAB CN(C(=O)CCc1ccsc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273333047 URFXUYYOTCQXDW-QZTJIDSGSA-N 347.455 4.199 0 40 EIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc(F)c1 408561969 MFGHWQMPXOXTBB-VZCXRCSSSA-N 340.423 4.425 0 40 EIAB CCn1cc(NCc2cc(F)ccc2NC(=O)OC(C)(C)C)cn1 1616040580 PNQGTDMNLXUZPA-UHFFFAOYSA-N 334.395 4.001 0 40 EIAB Fc1ccc(Oc2nc(Cl)nc(Oc3ccc(F)cc3)n2)cc1 152927 MZTWBBFWXVZWEO-UHFFFAOYSA-N 335.697 4.388 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)Nc1nc(C)cs1 413248 CKEICKJFXWKKKA-UHFFFAOYSA-N 343.477 4.293 0 40 EIAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C(=O)OC)C1 483845 CFSCPMXYRXODTA-LLVKDONJSA-N 347.436 4.203 0 40 EIAB CC(=O)c1sc(NC(=O)CCCOc2ccc(C)cc2C)nc1C 1914064 HGDZOKYHICJMHT-UHFFFAOYSA-N 346.452 4.069 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 2534549 RHRUCRMHVLFLEP-CQSZACIVSA-N 326.465 4.256 0 40 EIAB c1ccc([C@@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786334 XOPZBOGDGAAQJL-KBPBESRZSA-N 332.432 4.099 0 40 EIAB CC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3431963 CCRRZJCREBZEHB-UHFFFAOYSA-N 339.778 4.301 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)c1 3437967 CWSSDKGPFKJFPI-CYBMUJFWSA-N 340.448 4.297 0 40 EIAB COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1 3497783 HHJCJUVRPMCVGK-LBPRGKRZSA-N 332.783 4.085 0 40 EIAB CC(C)(C)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 4747502 OZRMIXPDWIMZLN-UHFFFAOYSA-N 328.408 4.056 0 40 EIAB CCCC(=O)Nc1c(-c2ccccc2F)c(=O)c2ccccc2n1C 5425680 LETCMMLLFHPJAK-UHFFFAOYSA-N 338.382 4.083 0 40 EIAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1c[nH]c2ccccc12 6322777 PWDIWVRQVOCYFY-MDZDMXLPSA-N 339.778 4.261 0 40 EIAB Clc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccncc1)=N2 6557601 LINQKGNRXPRHQD-UHFFFAOYSA-N 332.794 4.169 0 40 EIAB Fc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 6584520 PRDNNQLUOHGMFU-HOTGVXAUSA-N 328.778 4.217 0 40 EIAB Cc1ccc(CN[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 6787585 YWWVEWHFOWZCFC-GFCCVEGCSA-N 337.250 4.419 0 40 EIAB O=C(COCc1cc(-c2cccs2)on1)Nc1ccc(Cl)cc1 6876490 RLMSQVQLHCBEIQ-UHFFFAOYSA-N 348.811 4.212 0 40 EIAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl 8267809 CGSCAGIEIYXAOJ-CHWSQXEVSA-N 341.282 4.444 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 8317014 XSDLFSPWYWMHTL-UHFFFAOYSA-N 343.326 4.248 0 40 EIAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1Cl 8496655 XAUFOSHZIRZHMD-UHFFFAOYSA-N 346.843 4.013 0 40 EIAB Cc1c(Sc2nnc(C(C)C)n2C2CC2)c(=O)[nH]c2ccccc12 8883519 CQKDTZMZTIAURD-UHFFFAOYSA-N 340.452 4.038 0 40 EIAB FC(F)n1ccnc1CSc1nc(C2CC2)nc2ccccc12 10196515 GQOBQIGIEVXYFY-UHFFFAOYSA-N 332.379 4.391 0 40 EIAB O=C1C[C@H](c2ccc(F)c(Br)c2)c2sccc2N1 12428474 NNTKOYWZTSAMTF-MRVPVSSYSA-N 326.190 4.124 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(Cl)cc1F 12785289 UODCMZGPYULLPP-UHFFFAOYSA-N 336.775 4.377 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C=O)c1Cc1cc(Cl)ccc1Cl 12863163 DEHQYOITIMIUMO-UHFFFAOYSA-N 340.206 4.210 0 40 EIAB Cc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)n1C1CC1 14171562 KXJJVSVNTYZHTP-UHFFFAOYSA-N 337.427 4.018 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(Cl)c1 14398382 ZGNXCLZGMIOWEU-MRXNPFEDSA-N 337.778 4.284 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)cc1 15544355 YKRSYNVWPPMGRC-HXUWFJFHSA-N 339.435 4.055 0 40 EIAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl 20051056 JSHNOEQBBQJXII-DHZHZOJOSA-N 329.783 4.169 0 40 EIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1Cl 20137780 DQWHCOVADGLXKS-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2c(Cl)cccc2Cl)c1 20447829 JFBXFVIVWXQWCM-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB Cc1cc2oc(C(=O)Nc3ccccc3F)cc(=O)c2cc1Cl 27748873 SBYVPLSURRLYIS-UHFFFAOYSA-N 331.730 4.146 0 40 EIAB O=C(CNc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 29941421 LXDNITZHVSUSMQ-UHFFFAOYSA-N 328.721 4.409 0 40 EIAB CCSC1(SCC)C(=O)OC2=C(CCCCCC2)[C@@H]1N(C)C 31759756 WZZPXQRNDMHZDV-HNNXBMFYSA-N 343.558 4.284 0 40 EIAB CCCSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 39989112 QCRIHHLKWSHLCD-VMPITWQZSA-N 339.873 4.346 0 40 EIAB COc1cc(C)c(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1OC 40468528 FUROQXQIKZLZHU-CYBMUJFWSA-N 339.395 4.235 0 40 EIAB CC(C)c1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770504 ISNDPKRQNMFLNW-AWEZNQCLSA-N 326.278 4.484 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(NC(C)=O)c1 44846370 KBKINXHHBWVXOZ-QGZVFWFLSA-N 346.814 4.095 0 40 EIAB COc1cc([C@@H](C)NC(=O)c2occc2C)ccc1OC1CCCC1 48340468 UAMDIRRDFCXQOC-CQSZACIVSA-N 343.423 4.409 0 40 EIAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl 57529598 HLAMDRGKWMQGOB-UGSOOPFHSA-N 328.843 4.011 0 40 EIAB CN(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1ccccc1 58377127 OXKFDDSMSJRUDO-UHFFFAOYSA-N 337.444 4.174 0 40 EIAB O=C(OCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1 60525997 QLKYWUWDKPKBRT-UHFFFAOYSA-N 336.322 4.319 0 40 EIAB Cc1cc(-c2c(-c3ccccc3)ncn2CCc2ccc(O)cc2)[nH]n1 67641431 HROFRLFELSBBFF-UHFFFAOYSA-N 344.418 4.197 0 40 EIAB COc1cccc2cc([C@@H](C)NC(=O)N[C@@H](C)c3nccs3)oc12 69566280 YFWIKZKAOQHTQT-MNOVXSKESA-N 345.424 4.019 0 40 EIAB Nc1nc(-c2cccc(Br)c2)cc(-c2ccccc2F)n1 71978039 BNOQMYCHRUOSFY-UHFFFAOYSA-N 344.187 4.294 0 40 EIAB C[C@H](CN1CCC[C@H](n2c(=O)oc3ccccc32)C1)c1ccccc1 72347844 QZBANVDLACHLEC-AEFFLSMTSA-N 336.435 4.035 0 40 EIAB COc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)cc1Cl 72396069 JRFHLPXCSBICOV-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72404361 HJNHHWVYAAJVTP-OAHLLOKOSA-N 339.420 4.125 0 40 EIAB O=C1CCCN1c1ccc(NCc2ncc(-c3cccs3)o2)cc1 72911209 LUVJCLPHUSKVTI-UHFFFAOYSA-N 339.420 4.142 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccccc3Br)oc12 75482048 CZRNFROMBRTSLW-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccnn2C2CCCC2)c(Cl)c1 75568218 HHIRKYGUYVAXIH-UHFFFAOYSA-N 332.835 4.011 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 84028847 PKODJPPMFIXXLY-TZIWHRDSSA-N 328.415 4.343 0 40 EIAB Cc1noc([C@@H](C)SCc2noc(-c3cccc(Cl)c3)n2)n1 89718594 KCRIYOLGBINOPO-MRVPVSSYSA-N 336.804 4.076 0 40 EIAB CCN1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 95967985 JKNMKSPSELCWLY-APWZRJJASA-N 348.494 4.050 0 40 EIAB CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 95996512 HDQJQWKFHNGHRA-JCGIZDLHSA-N 348.487 4.125 0 40 EIAB Cc1ccc(CN2CCC3(CCN(Cc4ccncc4)CC3)CC2)cc1 96047265 TUFLNIQVRVZRSC-UHFFFAOYSA-N 349.522 4.268 0 40 EIAB COc1cccc(Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 98211294 GHQUZLYPXYWIFB-UHFFFAOYSA-N 349.365 4.401 0 40 EIAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl 100890759 CNPWLUOEUVDXHF-KBXCAEBGSA-N 344.798 4.118 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 113969926 CSUSLHBQIKKABB-LJQANCHMSA-N 341.451 4.176 0 40 EIAB COc1cccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)c1 224450284 VMXMXNJCNDLMGL-UHFFFAOYSA-N 343.423 4.129 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 225168949 QYFZJRYIQAIVBQ-KRWDZBQOSA-N 325.452 4.208 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 226041317 IUWJDYCSLVQUAO-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C1N=N1 253595759 IEVSFXLZSHRGPR-VEZGGSFCSA-N 342.483 4.287 0 40 EIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc2[nH]ccc2c1 1565524282 HMCFGYSMSYJDQO-UHFFFAOYSA-N 336.420 4.230 0 40 EIAB CC(C)[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 86833 MOWKPRHIVJNEAX-QWHCGFSZSA-N 329.223 4.459 0 40 EIAB Cc1nc(Oc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 89233 XGJPCSHCYVZHMD-UHFFFAOYSA-N 340.404 4.400 0 40 EIAB CCOc1ccc(-n2c(C)c3c(OCC)cccc(=O)c3c2C)cc1 177517 IBGGEPKJZZEQSR-UHFFFAOYSA-N 337.419 4.405 0 40 EIAB biogenic Cc1cccc(-n2ncc3c(NCc4cccc(Cl)c4)ncnc32)c1 425615 SXPHBVYKANBCQO-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1377523 RFUVNHLSTXCMKN-HUUCEWRRSA-N 333.863 4.009 0 40 EIAB O[C@@H](CNc1ccc(Cl)cc1)COc1ccc(Cl)cc1Cl 1569054 NPOWJSVSNNEWOV-ZDUSSCGKSA-N 346.641 4.499 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(Cl)c1)CO3 2119983 TYFBDRGNRKCUJV-UHFFFAOYSA-N 341.794 4.420 0 40 EIAB biogenic CCOC(=O)CCCCCCC(=O)c1cccc(CN2CC=CC2)c1 2515432 WUXCROYQIJAEIL-UHFFFAOYSA-N 343.467 4.145 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC(F)(F)F)cc1 2561963 AYBQHQMSAIQAFG-UHFFFAOYSA-N 348.324 4.039 0 40 EIAB Cc1c(C(=O)Nc2nccs2)oc2ccc(Br)cc12 2658089 YJFQGCGECKRYOI-UHFFFAOYSA-N 337.198 4.213 0 40 EIAB O=C(O)c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 3055146 INHJENBPAUBZII-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB O=C(Cc1ccccc1F)OCc1csc(-c2ccccc2)n1 3291032 FTYOZPQLVZFBGC-UHFFFAOYSA-N 327.380 4.235 0 40 EIAB CCCC(CCC)C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 3911900 HNKYTWCWOSBBGC-UHFFFAOYSA-N 342.483 4.020 0 40 EIAB CN(C)n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 4537086 UTCAUFBQVFIHRN-ZPHPHTNESA-N 329.856 4.300 0 40 EIAB O=C1S[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1 4713545 NWLNPRHSHQUXJD-QGZVFWFLSA-N 334.400 4.478 0 40 EIAB C[C@H](CNC(=O)/C=C/c1ccccc1)OC12CC3CC(CC(C3)C1)C2 4789106 AIIFTUZCMSIDSX-TWOGEZQMSA-N 339.479 4.190 0 40 EIAB CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4917018 HTGANGPOQQNFAP-ZKHIMWLXSA-N 328.452 4.226 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccc(F)cc1 5465907 XPQHEIJYUJGOBP-UHFFFAOYSA-N 333.406 4.394 0 40 EIAB O=C(O)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1O 6228840 GXGXGGBIDPMLOE-UHFFFAOYSA-N 348.358 4.461 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 6886770 ZWCQFYXGFFQPQV-UHFFFAOYSA-N 347.292 4.226 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)c1cnc2ccccc2n1 7039430 UQSWBISCTIHRSX-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB O=C(CSc1cccc2cccc(Cl)c12)NCC(F)(F)F 7735407 ORXYIYGIWLWLDI-UHFFFAOYSA-N 333.762 4.264 0 40 EIAB CCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)s1 7905458 QLSJFEPUQQGTGX-UHFFFAOYSA-N 333.482 4.089 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](c2cccs2)C2CC2)c1C 10683013 QWRYQTHFYOWNLR-KRWDZBQOSA-N 349.521 4.411 0 40 EIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1 12062892 USECCWUQYLIWIU-GOSISDBHSA-N 333.387 4.057 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 12754834 RRFPNSRRLDUASZ-UHFFFAOYSA-N 345.446 4.473 0 40 EIAB CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 12783947 FCKSPBMIEYJTHA-IFXJQAMLSA-N 327.424 4.472 0 40 EIAB Cc1ccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 12973081 PAZNCUNOPSTXTN-UHFFFAOYSA-N 336.357 4.355 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)n[nH]2)cc1 14262376 XVTIWOUBODMUJT-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB COc1ccc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 16355047 XZLOHIFCTGILNH-UHFFFAOYSA-N 341.842 4.161 0 40 EIAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12 16740421 NDVGAGXOEAALTI-HNNXBMFYSA-N 331.419 4.311 0 40 EIAB O=C(CCc1cccnc1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373807 SPUDOSSIZHDRGP-LGGPRVQUSA-N 334.463 4.103 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)NCc1csc(-c2ccccc2)n1 20496581 HAEUPZDLYOUQMG-DHZHZOJOSA-N 338.407 4.279 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)c1ccc(OCC(C)C)cc1 21595477 DSIJOGGSNACSJB-UHFFFAOYSA-N 341.436 4.287 0 40 EIAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc(OC)cc1 21837227 FDACYCGHABOCQQ-LJQANCHMSA-N 341.451 4.465 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(C)=O)c1 22523204 CGMNAHYWLIZLSF-INIZCTEOSA-N 346.814 4.095 0 40 EIAB CCOc1c(Cl)cc(C(=O)NCCC2=CCCCC2)cc1OC 22651749 QGIMUGPUBHDLHN-UHFFFAOYSA-N 337.847 4.368 0 40 EIAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1Cl 22913906 DKKSYURPWQPRFH-LJQANCHMSA-N 343.902 4.222 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(OC)cc1 23649752 HGDRWPKYMYRBCS-FZKQIMNGSA-N 347.842 4.383 0 40 EIAB Cc1cccc(-n2ncc(C(=O)N[C@H](C)c3ccc(F)cc3)c2C)c1 24768998 QUYQHQJSANVJIA-CQSZACIVSA-N 337.398 4.119 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 25538016 BVAHDIIWEQBMLF-FQEVSTJZSA-N 349.409 4.297 0 40 EIAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)C1=Cc2ccccc2CC1 25675615 UAIMQLINPRGWSX-HXUWFJFHSA-N 339.460 4.044 0 40 EIAB O=C(C[C@H]1C=CCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 25910449 JKPZOIDHCSJDSS-GJZGRUSLSA-N 342.464 4.165 0 40 EIAB CCc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)[nH]n2)c1 27663691 OXGAQBIKFUFMGB-UHFFFAOYSA-N 341.798 4.250 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 29295578 OLEUIRIUMYKTLT-LJQANCHMSA-N 339.435 4.486 0 40 EIAB CC[C@@H](NC(=O)c1cccc(COC)c1)c1ccccc1OC(F)F 31755826 HVQKMMKNJFDAPO-MRXNPFEDSA-N 349.377 4.316 0 40 EIAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccc(F)cc2)C1 36359328 WBZCMPIAXNWLQM-CYBMUJFWSA-N 331.416 4.396 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 40103641 GACVPMNHIRNLIV-PHIMTYICSA-N 325.250 4.267 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 40548741 NMVHJYARHZSZJK-OAHLLOKOSA-N 343.254 4.112 0 40 EIAB CC(=O)c1ccc(SCC(=O)NCCC2=CCCCC2)c(F)c1 48324484 JBLNAQSSGDIMRR-UHFFFAOYSA-N 335.444 4.127 0 40 EIAB Clc1ccc(-c2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1 49169445 KUPROAGHAUMGLR-ZDUSSCGKSA-N 345.855 4.441 0 40 EIAB biogenic,in-vitro O=C(NC1(c2ccc(F)cc2)CCCC1)[C@H]1Cc2ccccc2S1 58391907 HRSQPWKRSSABDU-GOSISDBHSA-N 341.451 4.428 0 40 EIAB Cc1[nH]c2c(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3)cccc2c1C 65522614 JFWDNMVNANUNEX-CQSZACIVSA-N 349.478 4.212 0 40 EIAB O=C(c1cccc(-n2cccc2)c1)N(C[C@@H]1CCOC1)c1ccccc1 71805633 FJDOHGJBGRORCK-SFHVURJKSA-N 346.430 4.161 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cn1)c1ccccc1-n1cccn1 71820077 PMENGJVMKUMWGC-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB C[C@@H](NCc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2 71825226 UTKOINWIWKDJPF-GFCCVEGCSA-N 343.496 4.176 0 40 EIAB CN(C(=O)Nc1cc(C[S@@](C)=O)ccc1Cl)C1CCCCC1 71910310 LGDIYKRZLCSWRM-QFIPXVFZSA-N 342.892 4.015 0 40 EIAB c1ccc([C@@H]2CN(Cc3nnc(-c4cccs4)o3)CCS2)cc1 71910891 VNQDROADFGYWLF-HNNXBMFYSA-N 343.477 4.088 0 40 EIAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 72021586 PPJFZNAFQKUIIU-GOSISDBHSA-N 342.870 4.253 0 40 EIAB CC(C)CNc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72213354 DVJGYEHYYQRPAU-UHFFFAOYSA-N 349.475 4.027 0 40 EIAB O=C(NCC[C@@H](O)c1cccc2ccccc12)c1ccc(Cl)s1 77116596 JTBCGGDZXAFUKW-OAHLLOKOSA-N 345.851 4.408 0 40 EIAB CN(Cc1cc2ccccc2o1)C(=O)N[C@H](c1nccs1)C1CC1 89350837 CSVSMBCTDVHTHY-INIZCTEOSA-N 341.436 4.182 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F 89526295 KTUCSNNFQHCQEB-YPMHNXCESA-N 345.418 4.427 0 40 EIAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@H](C(F)(F)F)SC1 95474899 ICACAHUTULPWGZ-LLVKDONJSA-N 347.749 4.464 0 40 EIAB CC(C)N(C)[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccccc1 96061659 SKKVELQVPLEMFO-UXHICEINSA-N 328.525 4.274 0 40 EIAB Oc1ccc(Br)cc1-c1cc(-c2ccccc2F)[nH]n1 96295712 HGLIQONJYMUJHT-UHFFFAOYSA-N 333.160 4.351 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 96403919 FJVQSOYYJKQTQC-UHFFFAOYSA-N 328.318 4.489 0 40 EIAB Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 102605288 UCKUUTXBBIIZEL-KUHUBIRLSA-N 346.390 4.245 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 123385522 JPOWGZUAPKSQIG-LZIOYECESA-N 334.500 4.322 0 40 EIAB CCOC(=O)c1ccc(OCc2cccc(Cl)c2)c(OCC)c1 216942968 SLMVQQSTNNGYOS-UHFFFAOYSA-N 334.799 4.494 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc2ccccc12 216950977 ZNRPSRJYMXGXCT-UHFFFAOYSA-N 329.355 4.490 0 40 EIAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)cc1 222709892 FFCPEKMBKKYRRA-SFHVURJKSA-N 347.455 4.335 0 40 EIAB O=C(OCc1cccc(Cl)c1)c1snnc1-c1cccs1 223847440 DIORMDLJOIVURE-UHFFFAOYSA-N 336.825 4.277 0 40 EIAB CCSc1ccccc1C(=O)Nc1nnc(SC(C)C)s1 224421416 DXFOHQVTVVIWBG-UHFFFAOYSA-N 339.511 4.403 0 40 EIAB O=C(O)/C=C/c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 226322482 JPYKSKFPFWJJLS-QPJJXVBHSA-N 336.174 4.344 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCCC[C@H]1C 226330377 ALRAXQBCTNEBDX-CQSZACIVSA-N 341.430 4.347 0 40 EIAB CC(C)Cc1ncc(-c2cncc(C3CCN(C(C)C)CC3)n2)s1 257342198 ZNNDDLONHIJVDG-UHFFFAOYSA-N 344.528 4.386 0 40 EIAB CSc1ccccc1C(=O)NCCSCc1ccccc1C 409410734 PAEVPFPLJQOPTB-UHFFFAOYSA-N 331.506 4.380 0 40 EIAB COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)[nH]c2S)cc1 1775966571 LZBZKCHKLOQLAM-UHFFFAOYSA-N 342.420 4.058 0 40 EIAB O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1 420905 CKYOKMZTBRVLQO-UHFFFAOYSA-N 348.427 4.330 0 40 EIAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1CCCC1 425764 WQZSBSAFEOLZDC-UHFFFAOYSA-N 347.871 4.401 0 40 EIAB Cc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1 427380 MTUBBUBMDQXHTG-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB FC(F)(F)c1cnc(-c2cnc(-c3ccccn3)nc2)c(Cl)c1 1397507 DZKBWNQGOOFMMY-UHFFFAOYSA-N 336.704 4.273 0 40 EIAB CN(C)CCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807495 FQIBZBRPAORTIW-UHFFFAOYSA-N 340.858 4.314 0 40 EIAB biogenic,in-vitro O=C(Nc1cc(Cl)ccc1Cl)[P@@](=O)(O)c1ccccc1 2047085 BAYNDONZBHLJDB-UHFFFAOYSA-N 330.107 4.121 0 40 EIAB O=C(c1ccc(Br)cc1F)c1ccccc1CN1CCC1 2515629 INDSJDSWVHEQIC-UHFFFAOYSA-N 348.215 4.025 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 2562622 MENYRVLDWKVWLK-LWYCANNGSA-N 334.500 4.322 0 40 EIAB biogenic CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(C(F)(F)F)c2)c1C 2642382 UGIPOFFZQGFYJH-UHFFFAOYSA-N 339.313 4.210 0 40 EIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)c1cccc(Cl)c1 3378842 NSBZDVSSUUYYAZ-NSHDSACASA-N 334.824 4.475 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1OCC 3418045 VANLIWNBTQAOTN-UHFFFAOYSA-N 325.408 4.225 0 40 EIAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 3564293 YYYHFBPUCWEBBZ-CYBMUJFWSA-N 329.396 4.017 0 40 EIAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](N)(=O)c1ccc(N(C)C)cc1 4063957 OOJHUUWPPUDIFV-OMKFPNQOSA-N 338.432 4.007 0 40 EIAB O=C(CC1CCCCC1)NCCc1csc(-c2ccccc2)n1 4166956 FTUNDHQMZBQXSK-UHFFFAOYSA-N 328.481 4.439 0 40 EIAB CN(C)c1ccc(-c2nnc(Cn3ccc4ccccc43)s2)cc1 4677752 MMFVYYMIKBVEPS-UHFFFAOYSA-N 334.448 4.274 0 40 EIAB ClC1=C(Cl)[C@]2(Cl)[C@@H]([C@@H]3CO3)C[C@@]1(Cl)C2(Cl)Cl 4803368 ADYBGWQSWJHWDU-FCFNNHQFSA-N 342.864 4.237 0 40 EIAB Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC(Cc2ccccc2)CC1 5163998 WXLYJHGMWISTGO-QFIPXVFZSA-N 348.490 4.464 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(Br)cc2F)cc1 5475612 SNBMFDHFTNQRFV-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB Cc1ccccc1CSc1ncnc2c1cnn2-c1ccccc1 5501385 JMULWTMUXSMGSQ-UHFFFAOYSA-N 332.432 4.416 0 40 EIAB O=C(NCCSc1nc2ccccc2s1)c1ccc(Cl)cc1 5605086 UNTULGQUASWBKT-UHFFFAOYSA-N 348.880 4.472 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)C(c1ccccc1)c1ccccc1 6599677 JBSIKKAYOFKUEK-FQEVSTJZSA-N 343.426 4.459 0 40 EIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1cccc2ccccc12 6748336 BEKRXVFZDURVAC-UHFFFAOYSA-N 343.430 4.216 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 8146641 FBNVSSPPMHNDHT-UHFFFAOYSA-N 327.428 4.178 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1ccco1 8193174 FLERWEFRPOJHPM-GFCCVEGCSA-N 329.783 4.342 0 40 EIAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 8917569 DDOIPDIHFUOCTE-UHFFFAOYSA-N 339.366 4.270 0 40 EIAB COc1ccccc1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 9668213 AKXARVONLOZPAF-UHFFFAOYSA-N 338.432 4.303 0 40 EIAB CCOc1ccccc1/C=C/C(=O)N1CCc2[nH]c3ccccc3c2C1 9901818 HLPXNEANYLIOST-VAWYXSNFSA-N 346.430 4.165 0 40 EIAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCCO1 12383243 KJKARWKNWLOOHS-AYOQOUSVSA-N 341.476 4.204 0 40 EIAB CCOC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 12441970 YYVSFSQEXOPLQD-UHFFFAOYSA-N 342.424 4.181 0 40 EIAB CN(C)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 12558298 KUCIWOJJQCMLRR-UHFFFAOYSA-N 343.477 4.119 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1F 12796250 BPKTXZXSGIEHBH-LBPRGKRZSA-N 347.459 4.075 0 40 EIAB CCn1/c(=N\C(=O)c2ccccc2SC)sc2cc(F)ccc21 13286770 HVQMYLHXHGWHOX-HTXNQAPBSA-N 346.452 4.325 0 40 EIAB Cc1cccc(C(=O)NCCC(=O)Nc2c(C)cc(C)cc2Cl)c1 14668778 OHHSDGZDADXDMF-UHFFFAOYSA-N 344.842 4.024 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 14738338 GWPAJTBSHXGWNM-AWEZNQCLSA-N 327.424 4.399 0 40 EIAB O=C1CN(C(=O)c2cc3c(s2)CCCCCC3)c2ccccc2N1 14851644 UYWSXOOUKPRMIY-UHFFFAOYSA-N 340.448 4.006 0 40 EIAB CCc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 15017307 WDZCZXXOSVQBLZ-HNNXBMFYSA-N 330.225 4.290 0 40 EIAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)C(C)C)c2)cc1 19691390 KRLUWTLIFIDJLX-HXUWFJFHSA-N 338.451 4.385 0 40 EIAB Cc1c/c(=N/c2ccc(C(=O)O)cc2)c2ccc(C(F)(F)F)cc2[nH]1 19891666 FNMPDKZNVANULR-UHFFFAOYSA-N 346.308 4.426 0 40 EIAB O=C(O)c1ccc(NC(=O)c2cccc3ccccc23)cc1Cl 20138912 WVXFGOAODIEKCH-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 20154532 QTAMUBGAEQKWBH-UHFFFAOYSA-N 339.754 4.082 0 40 EIAB CN(C1CCCCC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 20488481 JUBRJMLDDMQDSV-UHFFFAOYSA-N 336.284 4.088 0 40 EIAB CC[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(OC)cc1 21836841 QDHNZYFARAEJNS-OAHLLOKOSA-N 326.421 4.186 0 40 EIAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)Cc1ccco1 23992913 OYMWIHISJSSTIO-JTQLQIEISA-N 327.211 4.045 0 40 EIAB COc1ccccc1CC(=O)N(Cc1ccco1)c1ccc(C)cc1 24636838 NYOBIWNYAXUHOG-UHFFFAOYSA-N 335.403 4.373 0 40 EIAB CC(C)c1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 25461169 YDBKQVLHMDIBOQ-LJQANCHMSA-N 333.435 4.341 0 40 EIAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC(C)(C)C)cc1 31077547 LEAWPCQLVGGJSD-UHFFFAOYSA-N 338.495 4.468 0 40 EIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)OCC(C)C 32923909 KFKHOIHLFRYTER-GFCCVEGCSA-N 347.377 4.494 0 40 EIAB CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)C[C@H]1c1ccccc1 32926943 NWJLNVFAXMBHQY-FQEVSTJZSA-N 336.479 4.347 0 40 EIAB CCC(CC)NC(=O)Cn1c(SCC(C)C)nc2ccccc21 32957729 GMCRWZYSTUYSEU-UHFFFAOYSA-N 333.501 4.089 0 40 EIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1c(F)cccc1F 33181637 UVTBJJLYRARPFL-UHFFFAOYSA-N 340.329 4.191 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1OC 44904874 XFBQZGRBFPLYAI-ZDUSSCGKSA-N 331.437 4.132 0 40 EIAB Cc1ccc(CN(C(=O)Cc2cccc3cccnc23)C2CC2)cc1 45495315 RVUZTXBRBGGBSV-UHFFFAOYSA-N 330.431 4.277 0 40 EIAB Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)c1 46089229 ZNKGGXOXJNGOAM-UHFFFAOYSA-N 339.395 4.057 0 40 EIAB CS[C@H](C)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 58184768 GKBPIWYSHDKJAZ-PXAZEXFGSA-N 335.419 4.116 0 40 EIAB COc1cccc(CSc2nc3cc(C)nn3c3ccccc23)c1 64550182 OIGHWJAUZXNKHR-UHFFFAOYSA-N 335.432 4.492 0 40 EIAB CC[C@@H](NC(=O)N(C)Cc1scnc1C)c1ccc(Cl)cc1 66698505 BXPHJXGEEQOSBW-CQSZACIVSA-N 337.876 4.398 0 40 EIAB O=C(NCc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1 72193649 IQGTXOLMPRTEHA-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1N1CCCCC1 72229056 RQVYBXZGPNEJJL-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)CCc1cn(C(C)C)c2ccccc12 72404843 YKMHGRCWFVIXDH-UHFFFAOYSA-N 338.455 4.144 0 40 EIAB O=C(N[C@@H](c1nccs1)C1CC1)N(Cc1cccs1)C1CC1 74707814 AFLXUQPBVAEYCL-CQSZACIVSA-N 333.482 4.030 0 40 EIAB CC(C)Cn1ncnc1CN[C@H](C)c1ccc(Cl)cc1Cl 88588556 AIPFEEVRMMRMKP-LLVKDONJSA-N 327.259 4.092 0 40 EIAB O=C1CCCCN1Cc1cccc(NCc2cccc3cccnc23)c1 89808013 VMIBGCFECJWRCM-UHFFFAOYSA-N 345.446 4.359 0 40 EIAB O=C(Nc1cccc2cccnc12)N[C@@H]1CCCC[C@@H]1C(F)(F)F 89808047 RESLZPDOQIYZRE-QWHCGFSZSA-N 337.345 4.477 0 40 EIAB Cc1[nH]c(=S)c(C(=O)NCc2ccccc2)c2c1CC[C@H](C)C2 95117561 RUEZPOFONISBHD-LBPRGKRZSA-N 326.465 4.107 0 40 EIAB c1cc(NCc2ccc(-n3cncn3)cc2)cc(-c2nccs2)c1 95428738 PFWVVIRLLQKJRY-UHFFFAOYSA-N 333.420 4.003 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2CC)cc1C 96659294 DCKYYUJITLZQOE-UHFFFAOYSA-N 347.480 4.374 0 40 EIAB Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100864355 SPTDNUYDNPCVID-RYPNDVFKSA-N 329.490 4.397 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)o1 216894233 UGJBRMQLMRMYCP-BJMVGYQFSA-N 327.771 4.055 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)ccc1Cl 222849455 NRHJJATWOLBVPJ-CQSZACIVSA-N 349.833 4.304 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCCc2ccccc2)ccc1Cl 222850519 DTOOWQUTVANSKN-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCCOc1c(I)cc(C(C)(C)C)cc1C=O 225276656 UZJVFJOHTWNUKB-UHFFFAOYSA-N 346.208 4.190 0 40 EIAB COc1cc(C)c(C(=O)NCCSCc2ccco2)cc1C(C)C 225658496 IMXOHUWJELUYAF-UHFFFAOYSA-N 347.480 4.383 0 40 EIAB COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225763510 RPKBGHKKQQCWNR-QGZVFWFLSA-N 340.423 4.428 0 40 EIAB COc1cccc(NC(=O)[C@H](C)n2cc(C(C)=O)c3ccccc32)c1 409203102 WIICQZAMUBQUCJ-ZDUSSCGKSA-N 336.391 4.052 0 40 EIAB Cc1ncsc1CN(C)[C@H](C(=O)O)c1cccc(Cl)c1Cl 518387020 VXXVASVLVDXEMA-ZDUSSCGKSA-N 345.251 4.016 0 40 EIAB Cc1nc(C)c(F)c(Oc2ccc(-n3ncc4ccccc43)cc2)n1 543975910 RDFZKRIGDRXZFN-UHFFFAOYSA-N 334.354 4.364 0 40 EIAB CC(C)c1ccccc1OCC(=O)N(C)C[C@H](C)c1ccccc1 589383674 OVRCRHUNZNVNPL-KRWDZBQOSA-N 325.452 4.451 0 40 EIAB O=C(NC[C@H]1COc2ccccc21)c1ccc(-c2ccsc2)cc1 675008067 UWPKTQVHMLFYTJ-KRWDZBQOSA-N 335.428 4.321 0 40 EIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)C2CCCC2)N1c1cccc(F)c1 1615160254 YLIHSKFNHGMEEP-OALUTQOASA-N 344.474 4.364 0 40 EIAB COc1ccc(-c2ccc(=N)[nH]c2-c2ccc(OC)c(C)c2)cc1C 1911936329 AUHCLHXXUVPUBD-UHFFFAOYSA-N 334.419 4.462 0 40 EIAB C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 355332 NHSJKBWBXNSWLY-SWLSCSKDSA-N 338.289 4.323 0 40 EIAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C1CCCCC1 425768 IGKMNPADRXULOX-UHFFFAOYSA-N 345.443 4.277 0 40 EIAB CC(C)N[C@@H]1C2CCC(CC2)[C@@]1(O)c1ccc(Cl)c(Cl)c1 1693021 MQILJMOEUMZBHK-FIMMUYGNSA-N 328.283 4.368 0 40 EIAB in-man C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2cccc(F)c2)S1 3138640 RJTGRLBYLMTIJZ-GFCCVEGCSA-N 329.400 4.356 0 40 EIAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCCC1 3211391 ZFIGNLOEBSAXKI-CXAGYDPISA-N 348.899 4.357 0 40 EIAB COc1ccc2nc(SCc3nc4ccccc4s3)[nH]c2c1 3493478 QNOCGNOJIWDCRX-UHFFFAOYSA-N 327.434 4.474 0 40 EIAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2)N3)C1 4555588 HSMCHHYUYAFXIB-OAHLLOKOSA-N 347.871 4.208 0 40 EIAB COC(=O)c1ccc[n+]2c1S[C@H](c1ccccc1)[C@H]2c1ccccc1 4721240 QOLQJCGZAPBVRP-RTBURBONSA-N 348.447 4.197 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCc1nc2ccccc2[nH]1 4927301 OLDWXDKTXJZNEJ-UHFFFAOYSA-N 343.814 4.105 0 40 EIAB CCc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCCN32)cc1 4936853 GCDJUTGELUPWRY-SFHVURJKSA-N 325.843 4.479 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)c1 5687681 HYEADGFZORNDRY-NSHDSACASA-N 348.855 4.174 0 40 EIAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 5693661 UWROJMPQLGYGFM-HXUWFJFHSA-N 332.355 4.173 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1 5966156 PECYYYJUTVHQOP-UHFFFAOYSA-N 329.705 4.262 0 40 EIAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 7928684 XIFHZLPGUFGLRN-INIZCTEOSA-N 337.419 4.077 0 40 EIAB COc1cc(OC)c(CN[C@@H]2CCSc3ccccc32)c(OC)c1 8328523 YZGOAMDBQLAIMD-MRXNPFEDSA-N 345.464 4.039 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCCSc1ccccc1 8480664 PVKQQXAQKRZYRI-UHFFFAOYSA-N 343.492 4.271 0 40 EIAB CCCOc1ccc2nc(C)c(CN3CCC(C)CC3)c(O)c2c1 8717137 VITMJHZNAUJOGS-UHFFFAOYSA-N 328.456 4.270 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1F 10546387 LHAFDSUTFLJTOE-HNNXBMFYSA-N 337.398 4.030 0 40 EIAB Cc1cc(C)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(C)c1 10808792 SXDYMEBFVALJOB-UHFFFAOYSA-N 336.439 4.498 0 40 EIAB COc1ccccc1CN(CCCn1ccnc1)Cc1cccs1 12146991 XQENCSZVYRIFLI-UHFFFAOYSA-N 341.480 4.046 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1F 12607254 CLHSSWLBZHUNMM-UHFFFAOYSA-N 340.320 4.092 0 40 EIAB COc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1OC 13021813 RFEWTVJZONMMCH-UHFFFAOYSA-N 341.407 4.278 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 13710284 XZFYQUHNRYNWQH-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1 14654505 BNLHLQQTHBOPHD-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB CCn1nnc2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc21 15643461 ZIJGDOWXPNTPNO-UHFFFAOYSA-N 342.402 4.371 0 40 EIAB S=C(NCCCOC1CCCCC1)Nc1ccccc1Cl 18168134 SKBNWEZEMAOAIM-UHFFFAOYSA-N 326.893 4.366 0 40 EIAB CN(C[C@H]1CC=CCC1)C1CCC2(CC1)CNCc1ccccc1O2 19585968 SABHVRWHBUEVHB-NLMOZGTASA-N 340.511 4.138 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCSc1ccc(C)cc1 22512481 IVOMCMCWNRUBRD-SFHVURJKSA-N 343.492 4.369 0 40 EIAB c1ccc2c(c1)OCC[C@H]2NCc1ccc(OCc2ccncc2)cc1 30545234 ZJJSGEYAJNUMOP-OAQYLSRUSA-N 346.430 4.274 0 40 EIAB Cc1cc(C)c(NC(=O)CSNC(=O)Nc2ccccc2)c(C)c1 32109817 FGHQLOFIFMQWHF-UHFFFAOYSA-N 343.452 4.020 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(F)c1 32754468 CDEZQCHRQMGNHG-ZDUSSCGKSA-N 326.371 4.203 0 40 EIAB c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccncc3)nc2c1 32899820 WXEKBUNGQDJYHG-UHFFFAOYSA-N 338.374 4.312 0 40 EIAB CC(C)(CNC(=O)C[C@H]1C=CCC1)c1ccc(Br)cc1 36394014 AFIWGSDYIXVLPQ-ZDUSSCGKSA-N 336.273 4.199 0 40 EIAB CCCOc1ccc(C(=O)Nc2nnc(SCCC)s2)cc1 39989127 QXCPWCYQFGBZAN-UHFFFAOYSA-N 337.470 4.081 0 40 EIAB CCCCCc1nnc(NC(=O)c2cc3ccc(C)cc3[nH]2)s1 40059553 XPZLRJLYEGDSBM-UHFFFAOYSA-N 328.441 4.313 0 40 EIAB C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1 57508782 QFOSPGQRYDHJKR-KXBFYZLASA-N 336.460 4.454 0 40 EIAB CCN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1C 62580534 FKNHRACMQDPALP-HXUWFJFHSA-N 336.479 4.055 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1nccc2ccccc12 65550195 VTICLSNUIQWVPN-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2ccc(Oc3cnccn3)cc2)c1 69485704 GQHBSWQCZYRYPF-UHFFFAOYSA-N 348.362 4.116 0 40 EIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)C(C)(C)C 71902333 JFHRWISSKZCMNN-ZDUSSCGKSA-N 328.416 4.133 0 40 EIAB CCN(CCC(F)(F)F)C(=O)c1ccc(Oc2ccncc2)cc1 71907516 GJUIRCXFGXNLKR-UHFFFAOYSA-N 338.329 4.288 0 40 EIAB CC(=O)c1c(C)cc(C)c(CN(CCCO)c2ccccc2)c1C 75106320 SQDIXKBAOPSVNJ-UHFFFAOYSA-N 325.452 4.203 0 40 EIAB Fc1ccc2ccc(NCCc3ccc(-n4cccn4)cc3)nc2c1 78903687 POLLPVWJUYZZDC-UHFFFAOYSA-N 332.382 4.214 0 40 EIAB CCCC1(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCC1 79104708 JWQICCDGVNQSII-CYBMUJFWSA-N 330.255 4.113 0 40 EIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccc(Br)c(Cl)c1 95096014 GERLPSVNIVEVPF-OIBJUYFYSA-N 345.542 4.121 0 40 EIAB CCS[C@H]1CCCC[C@@H]1NCc1nc(CCc2ccccc2)no1 97165595 WUMJHCRAWFMXRZ-IRXDYDNUSA-N 345.512 4.009 0 40 EIAB Cc1n[nH]c(C)c1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206999201 JJPYSKWRYTVPQC-HNNXBMFYSA-N 349.887 4.000 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1ccc(C)c(C)c1 218808159 DSVDQVHTSILKMN-UHFFFAOYSA-N 339.479 4.384 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)c(C)c1 219307011 IFVILMGLFRSESX-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222609404 QCVMBXZKBLUHAY-MORSLUCNSA-N 340.496 4.109 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc2ccccc2c1 222782404 QTWKXXKXDWLTOY-OAQYLSRUSA-N 349.430 4.322 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(F)c1 223434758 QCWXDHQRQXZHSU-UHFFFAOYSA-N 331.821 4.002 0 40 EIAB CSc1ccccc1C(=O)NCCOc1ccc(C)c(Cl)c1 224122253 AVSWOWHLZSLHCQ-UHFFFAOYSA-N 335.856 4.179 0 40 EIAB Cc1ccnc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225661895 FMFXOJTWXXXRQZ-OAHLLOKOSA-N 327.497 4.433 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(OC)c1 225933283 HCVPKQWWSPIODC-UHFFFAOYSA-N 339.435 4.463 0 40 EIAB CCC(C(=O)Nc1ccc(OC)nc1)(c1ccccc1)c1ccccc1 225935170 RBHLQUBQMKHRHO-UHFFFAOYSA-N 346.430 4.425 0 40 EIAB Cc1cccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)c1 226269355 KAMWQDCCFLLVIV-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C)cc1C 248141632 CGBCRBYNAHLMOW-BBWFWOEESA-N 329.440 4.166 0 40 EIAB O=C(c1cccc2ccccc12)[C@H](Br)CBr 382677709 ZHVRYWWAADDDIU-GFCCVEGCSA-N 342.030 4.181 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc2ncsc2c1 390831860 VMCSWADKHVBZCQ-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 575618700 BCCPPEVFRHGGOM-MRXNPFEDSA-N 342.826 4.119 0 40 EIAB O=C(NCc1cncc(C2CC2)c1)NCc1cccc2ccccc12 575620200 KWGPJYMZEKRGPJ-UHFFFAOYSA-N 331.419 4.112 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009050 HBBJIYLAIDOLMF-GJZGRUSLSA-N 336.357 4.204 0 40 EIAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C)C2 127461 DZVFAJDEKVJQMA-GFCCVEGCSA-N 342.464 4.474 0 40 EIAB CCOC(=O)[C@H](C)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 217529 OIJYVDPIXJLOFZ-AWEZNQCLSA-N 346.423 4.020 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)c(Cl)c1 359669 CUACMRLEMBHFHG-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB CCc1c(C)sc(NC(=O)c2ccccc2)c1C(=O)OC(C)C 368907 SKFUJJRQVBYOSI-UHFFFAOYSA-N 331.437 4.436 0 40 EIAB COc1ccc(-c2nnc(SCc3ccccc3)o2)cc1OC 421894 BNTZSPAJUJZYSA-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1 553569 VJGJZYGLLJWMJZ-UHFFFAOYSA-N 342.398 4.370 0 40 EIAB O=C(Cc1cccs1)Nc1nnc(-c2ccccc2Cl)s1 1329949 AKGAQUGOIZQUQJ-UHFFFAOYSA-N 335.841 4.101 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)o1 1612460 HSRHZQFZJOKEDL-UHFFFAOYSA-N 332.722 4.173 0 40 EIAB Cc1sc2ncn3nc(-c4ccc(OC(F)F)cc4)nc3c2c1C 2790873 RYERBFRVEQANSY-UHFFFAOYSA-N 346.362 4.224 0 40 EIAB CC(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 3216562 DOMGMBIJWCCBPU-UHFFFAOYSA-N 331.799 4.259 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2C)cc1 3349502 VJOQNZJEMSCIHO-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB O=C(Nc1nsc(-c2ccc(Cl)cc2)n1)c1ccccc1F 4269709 JPUFTLQCLRXHNF-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4720644 CUZYYBBWGOTCTF-DYXDTQHNSA-N 343.442 4.279 0 40 EIAB CC1=NN([C@@H](CNC(=O)c2ccccc2)c2ccccc2)C(C)(C)C1 4770895 QUCARBZSOHYLNI-IBGZPJMESA-N 335.451 4.018 0 40 EIAB C[C@@H](Oc1ccccc1)c1nn2c(-c3cccs3)nnc2s1 4939246 CVJFMODUGGQFPU-SNVBAGLBSA-N 328.422 4.054 0 40 EIAB C[C@@H](C(=O)c1ccc(Cl)cc1)n1nc(-c2cccs2)ccc1=O 4986590 QGYZTOZTKRJXFC-NSHDSACASA-N 344.823 4.069 0 40 EIAB Cc1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 5815818 XCOKWQNMHNCHLH-OAHLLOKOSA-N 346.839 4.090 0 40 EIAB O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccc(F)cc1 6602202 ODCLXFNUJYSZKW-UHFFFAOYSA-N 349.361 4.420 0 40 EIAB CCSc1nnc(NC(=O)c2ccccc2SCC)s1 7212406 NLBGQILZVMKBIV-UHFFFAOYSA-N 325.484 4.014 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1C 7915228 QMBRQGQWRMNGLK-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1OC 7975842 GFBSBQXKHJKNMD-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB Cc1ccccc1SCC(=O)N(C)Cc1nc2ccccc2s1 8264469 JZZVOAMEDJZPEY-UHFFFAOYSA-N 342.489 4.355 0 40 EIAB CCc1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2C)o1 8339305 IGMXGISIRXEHFF-UHFFFAOYSA-N 348.859 4.469 0 40 EIAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1 8471204 CUZBAPZIYQXSNI-GNLJQLLCSA-N 341.410 4.064 0 40 EIAB C[C@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1Cl 8498067 VKAXJGOCJWWCEA-LBPRGKRZSA-N 340.250 4.043 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 10539821 YAJBRUHFXXGVDP-UHFFFAOYSA-N 349.434 4.123 0 40 EIAB Cc1ccc2c(COC(=O)CCCc3cccs3)cc(=O)oc2c1 11318259 JEQHZOIISLSKOY-UHFFFAOYSA-N 342.416 4.229 0 40 EIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccccc1C 11861853 WWBOOQAIZGGXMZ-BQYQJAHWSA-N 332.783 4.334 0 40 EIAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1C 12538850 WPGOKISFPHHJLR-UHFFFAOYSA-N 340.448 4.467 0 40 EIAB FC(F)(F)c1ccccc1NC(=S)Nc1ccc2c(c1)OCO2 13790662 AVSAFAMSJJXYES-UHFFFAOYSA-N 340.326 4.243 0 40 EIAB COc1cc(C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1 14241212 GHVXCBAVNBAOGW-UHFFFAOYSA-N 345.826 4.164 0 40 EIAB COc1ccc(C(=O)N2CCC(C)(C)CC2)nc1-c1ccc(F)cc1 19872965 ZERWQZVNWYCBHL-UHFFFAOYSA-N 342.414 4.159 0 40 EIAB CC(=O)NCCCCCc1nc2ccccc2n1[C@@H](C)c1ccccc1 20868242 MLQHJELMOAIZDA-KRWDZBQOSA-N 349.478 4.495 0 40 EIAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22538060 QIUCQPRAOPWZLH-HNNXBMFYSA-N 327.424 4.120 0 40 EIAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccsc1 24033496 PEIQLUPVDBMGOC-UHFFFAOYSA-N 328.418 4.314 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1ccccc1 32973830 LYGRMLZNYGWFSC-UHFFFAOYSA-N 332.359 4.411 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)C1 33184928 QGBMBINMIVZREB-GHMZBOCLSA-N 332.391 4.045 0 40 EIAB CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(C(C)(C)C)[C@@H](Cl)C1=O 38337826 FUJAFOQTUOUJSK-HZMBPMFUSA-N 325.663 4.308 0 40 EIAB COc1ccc(Cl)cc1[C@H](O)c1ccc(Br)cc1 40243329 GXUQMMPZFIVLLV-CQSZACIVSA-N 327.605 4.193 0 40 EIAB O[C@@H](CN(Cc1cccs1)C1CC1)c1cccc(C(F)(F)F)c1 48252598 AJBZTCLRXUIIOQ-INIZCTEOSA-N 341.398 4.465 0 40 EIAB C[C@H](c1cccc(Cl)c1)N(C)Cc1nc(O)c2sccc2n1 53232820 SGTCXJJBBCETGM-SNVBAGLBSA-N 333.844 4.243 0 40 EIAB C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1ccc(F)cc1 58014356 LGMVSPJKOVBGMJ-CYBMUJFWSA-N 330.428 4.310 0 40 EIAB O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc(SC(F)F)cc1 58031361 RHMDPWYWFIDUNR-CYBMUJFWSA-N 348.374 4.066 0 40 EIAB O=C(OCc1ccccc1C(F)(F)F)c1ccc(NC2CC2)nc1 60581998 YUDJCZILXBFTSF-UHFFFAOYSA-N 336.313 4.032 0 40 EIAB CCCn1ncc(-c2ccnc(N[C@H](CC)c3ccncc3)n2)c1C 63834625 QJHJMUSHQBUFBD-QGZVFWFLSA-N 336.443 4.017 0 40 EIAB CC(C)=CC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C 65491416 NDCTZIZRKNZKNU-UHFFFAOYSA-N 348.244 4.063 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)c1cc2ccccc2cc1O 65554689 CRIDNMKIQNIJIZ-UHFFFAOYSA-N 344.370 4.130 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)Nc1cccc(SC(F)F)c1 67356123 JGSISPLBLIVYMP-UHFFFAOYSA-N 341.383 4.270 0 40 EIAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1cc2ccccc2o1 70635980 CVMVAGPNBXVUHX-GOSISDBHSA-N 331.371 4.049 0 40 EIAB O=C(CCc1nc2ccccc2s1)Nc1cc(F)c(F)c(F)c1 71280451 QYEUFNTZVQXABM-UHFFFAOYSA-N 336.338 4.285 0 40 EIAB O=C(C1CC(c2ccccc2)C1)N1CCC([C@H](O)c2ccccc2)CC1 71834648 USXCRHJTGVQJKL-LZBANZJXSA-N 349.474 4.152 0 40 EIAB COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)c(OC)c1 71978339 OQAOVPAKRWQSNA-UHFFFAOYSA-N 335.407 4.027 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](O)(C(C)(C)C)C(F)(F)F 72208728 KIDZDHFKDMCSRI-IAQYHMDHSA-N 339.398 4.116 0 40 EIAB O=C(Cc1cccc2ccccc12)N(C[C@@H](O)c1ccccc1)C1CC1 84522420 RAHCTIJRTRQKQX-JOCHJYFZSA-N 345.442 4.107 0 40 EIAB C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)O 91695597 HRZHMTUSHFHEDZ-MRVPVSSYSA-N 345.704 4.273 0 40 EIAB CSCc1cc(F)ccc1CN[C@H](C)c1cccc(NC(C)=O)c1 95969166 WHSFKTQWMMDWNX-CYBMUJFWSA-N 346.471 4.498 0 40 EIAB CCc1nnc([C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 96436905 XABQFWNZSXRXDL-LBPRGKRZSA-N 329.400 4.237 0 40 EIAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1COc1ccccc1F 100886344 RWGLFPMJGRSQIX-RFGFWPKPSA-N 347.459 4.282 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 223241166 ARBQORPFZLAVNC-JBCDFXQESA-N 327.468 4.028 0 40 EIAB Cc1ccc(OCCNC(=O)[C@H](C)SCc2ccccc2)cc1C 223412954 SZOLSFQWZJIXCP-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CCc1ccc([C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 224449289 MVOMEBKTWNNKGH-INIZCTEOSA-N 337.463 4.384 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OC2CSC2)cc1 225040182 JYDSGWJVHWKJEB-UHFFFAOYSA-N 349.839 4.095 0 40 EIAB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592647 SMGNKNSQSQIPDI-MRXNPFEDSA-N 332.488 4.172 0 40 EIAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cn1 225884811 KUCHFPNDDAMNGK-UHFFFAOYSA-N 336.476 4.286 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c(C)n1 225913111 AGGXVPBRCHMGSS-IBGZPJMESA-N 334.460 4.103 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1Cl 408585318 DHPDHDVOBRYJAV-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB Cc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1 534381896 JABZUTIFLFKYMR-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB O=C1N(CC2CCCCC2)C[C@@]12CCCN(CC1CCCCC1)C2 585099277 APHIVMCJUTVAPO-NRFANRHFSA-N 332.532 4.071 0 40 EIAB COCc1sccc1C(=O)N[C@@](C)(Cc1ccccc1)C1CC1 633366375 RQTVIOOFCPLOQY-IBGZPJMESA-N 329.465 4.036 0 40 EIAB CC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 129194 LFCXOCPOMLPGNR-UHFFFAOYSA-N 331.799 4.177 0 40 EIAB O=C(O)Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 254852 ICWXBPYLGPYGCK-UHFFFAOYSA-N 346.358 4.459 0 40 EIAB c1ccc(-c2nnc(CSc3nnc(-c4ccccc4)o3)o2)cc1 421841 TZVOKXFBXUYQEE-UHFFFAOYSA-N 336.376 4.079 0 40 EIAB COc1cccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc12 478691 PTGHGXIKRJITMU-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336300 KWBXMNSXNFYLAM-UHFFFAOYSA-N 341.838 4.384 0 40 EIAB CCOC(=O)c1cnc(SC)nc1Sc1ccccc1Cl 1398550 ZHJOVGGRJFTZQE-UHFFFAOYSA-N 340.857 4.180 0 40 EIAB COc1cc(C)c(NC(=O)CCSc2ccc(C)cc2)cc1OC 2640568 YPGFRUVHRULVGZ-UHFFFAOYSA-N 345.464 4.442 0 40 EIAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 3850019 LLKXAWZFTUNUTQ-YQXKYMSPSA-N 336.516 4.379 0 40 EIAB COc1ccc(C)c2sc(NC(=O)c3c(F)cccc3F)nc12 4331364 OHIKOTWRMDFUSB-UHFFFAOYSA-N 334.347 4.144 0 40 EIAB COc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1 4355435 XJVZAOYDSSIWQX-UHFFFAOYSA-N 336.416 4.127 0 40 EIAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 4911345 GJAKVVOHEFMXDM-MRXNPFEDSA-N 339.435 4.365 0 40 EIAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 4943089 FLJJZNKFQDCMEI-UHFFFAOYSA-N 346.239 4.060 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 6477369 GDZRGQLJFFDXRJ-ZIAGYGMSSA-N 346.810 4.230 0 40 EIAB CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112632 QDFYBHKKEASXAZ-HXUWFJFHSA-N 348.402 4.445 0 40 EIAB O=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1 7595809 RFWBWUCJAGTXHK-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB O=C(/C=C/c1cccc(Cl)c1)Oc1ccc(-c2nnco2)cc1 7758602 IVNVPLDGEFLDKH-RUDMXATFSA-N 326.739 4.009 0 40 EIAB CCCNc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 7793625 CYVHDCMLDVZFFR-SNVBAGLBSA-N 346.481 4.205 0 40 EIAB CC(=O)c1ccc(OC(=O)c2cc(F)ccc2Br)cc1 8007447 XPPWYAUDDNQOON-UHFFFAOYSA-N 337.144 4.010 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(Br)s1 8276385 FRRAYDLVDBPFGJ-VGDRSHSASA-N 328.275 4.219 0 40 EIAB c1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)cc1 8343162 QRVIKHVFRNJGFF-UHFFFAOYSA-N 343.481 4.204 0 40 EIAB COc1ccc(C)cc1NCC(=O)N[C@H](C)c1ccc2ccccc2c1 8705651 LTKGKUBJPNGITJ-MRXNPFEDSA-N 348.446 4.446 0 40 EIAB Cc1nc2c(C)ccc(C)c2c(O)c1CN1CCc2ccccc2C1 8717481 BBXBBADHDOUFLF-UHFFFAOYSA-N 332.447 4.424 0 40 EIAB COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1ccccc1Cl 9141860 NFNZDSOSSLGIQI-UHFFFAOYSA-N 346.814 4.195 0 40 EIAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1F 9390165 HDBVBNOVDQYBGI-UHFFFAOYSA-N 335.762 4.201 0 40 EIAB C[C@H](c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl 9494270 XRIWATPFUSSVAR-SNVBAGLBSA-N 326.824 4.172 0 40 EIAB O=C(Nc1nc(SCc2ccccc2)ns1)[C@@H]1CC=CCC1 9502179 SFADJSFERDYLRI-CYBMUJFWSA-N 331.466 4.125 0 40 EIAB O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 9749166 QJPYJZFRIJSMPQ-UHFFFAOYSA-N 341.382 4.439 0 40 EIAB O=C(NC1CCCCCC1)c1cnn(Cc2ccccc2Cl)c1 9865372 HSNASYNZLGNODH-UHFFFAOYSA-N 331.847 4.037 0 40 EIAB C[C@H]1C[C@H](C)CN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 11612256 MMIRJOKAHDIIIE-BBTUJRGHSA-N 339.479 4.071 0 40 EIAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 12344363 VJJYATSMCVWMAH-FQEVSTJZSA-N 331.419 4.434 0 40 EIAB O[C@H](CNC1CCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421959 HYLHIIQLLYTSNA-OAHLLOKOSA-N 346.902 4.067 0 40 EIAB COc1cccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 12909993 QRPHTOVYMTZIOJ-UHFFFAOYSA-N 335.359 4.410 0 40 EIAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 13785875 DZLHRCTZVFXHBQ-KJWXAFIESA-N 333.431 4.177 0 40 EIAB COc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 13815182 OQMLVYABVYJOON-UHFFFAOYSA-N 341.263 4.489 0 40 EIAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)c1 19927488 RWBVXYYRLSVIFE-UHFFFAOYSA-N 349.419 4.122 0 40 EIAB CCc1ccc([C@H](CNC(=O)[C@H](CC)c2ccccc2)N(C)C)cc1 22684814 YQOMTSRWUYFXTA-RTWAWAEBSA-N 338.495 4.162 0 40 EIAB C[C@@H]1C[C@@H](OC[C@@H](O)CNC(C)(C)CC(C)(C)C)CC(C)(C)C1 33526506 ZCGOSUPULPBKSS-IXDOHACOSA-N 327.553 4.383 0 40 EIAB CNc1snc(C)c1C(=O)Nc1ccc2oc(C(C)C)nc2c1 40081703 LPGAXHIKSROXOO-UHFFFAOYSA-N 330.413 4.010 0 40 EIAB CCOc1ccccc1CNC(=O)CCSc1ccc(C)cc1 44841987 KUCJZMZXHWYSBP-UHFFFAOYSA-N 329.465 4.192 0 40 EIAB CCOc1ccc(OC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 56229058 SLOIGCDQNSYEIL-UHFFFAOYSA-N 340.404 4.153 0 40 EIAB C[C@H]1CN(c2ccccc2NC(=O)CC(C2CC2)C2CC2)C[C@H](C)O1 68426967 KRGPCFNUOAAMTL-GJZGRUSLSA-N 342.483 4.065 0 40 EIAB CCCCS[C@H](C)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 69774022 ZQOVXFKVBOQLFL-CHWSQXEVSA-N 349.525 4.304 0 40 EIAB Cc1cc(N)nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 70040683 SRKLRTVMKCCPQD-GOSISDBHSA-N 335.432 4.084 0 40 EIAB CCC(=O)Nc1ccc([C@@H](C)NCc2cc(F)c(F)c(F)c2)cc1 71794743 DAALYVVBYUATEC-LLVKDONJSA-N 336.357 4.303 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 71884583 PWIAJYBPEDUJFE-JKSUJKDBSA-N 331.847 4.476 0 40 EIAB CCSc1ccc([C@H](C)NC2CCN(C(=O)C(C)(C)C)CC2)cc1 95421779 DNOCJYSJEWUDSK-HNNXBMFYSA-N 348.556 4.486 0 40 EIAB Fc1cccc(CN2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c1 96073457 ARIKQSHOUPLRAL-FPOVZHCZSA-N 325.427 4.364 0 40 EIAB O=C(CC1CCSCC1)N(Cc1cccnc1)c1ccc(F)cc1 96475218 UKNZNDDCJZDONM-UHFFFAOYSA-N 344.455 4.287 0 40 EIAB CC(C)Sc1ccccc1NC1CCN(C(=O)c2ccoc2)CC1 97038082 VRYOVOPVTRUMKK-UHFFFAOYSA-N 344.480 4.497 0 40 EIAB CSc1ccc([C@H]2C=C(c3cccs3)Nc3ncnn32)cc1 102567342 WZHDSKVITVYYRN-CQSZACIVSA-N 326.450 4.118 0 40 EIAB C[C@@H]1CCC[C@H](NCC2(N[C@H](C)c3ccccc3)CCOCC2)C1 108457624 WHGOYLYBXBVTMZ-GGPKGHCWSA-N 330.516 4.055 0 40 EIAB CCOC(=O)c1cn(CC(C)(C)C)c2cc(Cl)c(F)cc2c1=O 199804941 DPZKZOXTFZHFOD-UHFFFAOYSA-N 339.794 4.017 0 40 EIAB COC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 216848097 WGKFMTHYWHAEQG-UHFFFAOYSA-N 329.154 4.498 0 40 EIAB Cc1ccc(SCCNC(=O)CSCc2cccc(C)c2)cc1 222735290 XINHMDHIXHGJMO-UHFFFAOYSA-N 345.533 4.445 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc2ccccc12 222859408 VGSQLHFHQXWROT-NRFANRHFSA-N 349.430 4.322 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 224190276 FYERCDGDJMBPKP-QZTJIDSGSA-N 335.432 4.160 0 40 EIAB COc1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225789321 XRYUCYGTCSMHQF-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C(C)C 225871433 LCIVRFRTSVDHAE-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB C[C@H]1CCCCN1c1c(Br)cc(N)cc1Br 226316521 XGNRYEQEUDGFAI-QMMMGPOBSA-N 348.082 4.173 0 40 EIAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)C2CCCCC2)c1 226351840 GONPILCQTQRMEP-UHFFFAOYSA-N 343.379 4.172 0 40 EIAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C(=O)O)C1 34760 YVZXXBUYNATFEK-NEPJUHHUSA-N 342.222 4.379 0 40 EIAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1F 77597 BQQMZKVQOJEQQS-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB C/C=C/C=C/C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3272179 RNWHXTVQIVBVAV-MQQKCMAXSA-N 348.613 4.261 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 3415277 FDEALBCZHFCEKR-SNAWJCMRSA-N 329.371 4.193 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1ccc2c(c1)OCCO2 3519509 IVMJZBLWBFMXGP-UHFFFAOYSA-N 339.416 4.223 0 40 EIAB COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 3554617 ALIZNYDFPXXSOU-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB CSc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 4303508 CWWYNAQTLHRSPN-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB C[C@@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 4411195 MUFKSDGEJXMZSW-HOJAQTOUSA-N 327.468 4.154 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1cc(C)cc(C)c1)C2 4857112 HYXLCWWKHCMDDF-YQQQUEKLSA-N 345.556 4.385 0 40 EIAB COc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1 5485631 UTIINIJCEQFGSI-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB CCCCn1nc(C(=O)Nc2cc(C)ccc2C)c2ccccc2c1=O 6429950 JWXNWKLDTFYWRL-UHFFFAOYSA-N 349.434 4.066 0 40 EIAB Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c(Cl)cccc12 6607295 OKQOPHUEBDZEMY-UHFFFAOYSA-N 348.874 4.434 0 40 EIAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccccc3)[nH]c(=O)c12 7002409 DKUDKQPUGGEEEW-GFCCVEGCSA-N 341.480 4.494 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1 7053106 SLYHBMXOUUJFEC-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c(C)c1 7524284 NSLNLFGWYAIHJC-MRXNPFEDSA-N 328.431 4.382 0 40 EIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F 7587716 GGEMQDSZHYOLBE-GFCCVEGCSA-N 334.341 4.095 0 40 EIAB CCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1OCC 8049428 WRGUZJGHXPXTMO-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccco3)ccc1O2 9135372 NTDJFTQUJXNFBW-UHFFFAOYSA-N 348.358 4.223 0 40 EIAB NC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 9220759 PWMFHCPFFVFOHM-UHFFFAOYSA-N 340.386 4.139 0 40 EIAB CC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1-c1ccccc1 9456141 XBCVMXOOONNWCQ-UHFFFAOYSA-N 326.377 4.166 0 40 EIAB CCOC(=O)c1oc2cc(NC(=O)c3ccccc3C)ccc2c1C 9659893 GTWTXUASIJHKIB-UHFFFAOYSA-N 337.375 4.479 0 40 EIAB biogenic Cc1ccc(-n2[nH]c3nccc(-c4ccccc4C)c3c2=O)cc1C 10157180 PVLAFOWSGGHTIO-UHFFFAOYSA-N 329.403 4.306 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 11170352 DTARVFPAUUZYFC-KGLIPLIRSA-N 347.842 4.383 0 40 EIAB CC(C)Oc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 12235348 CNQJAZYSQMQUOG-UHFFFAOYSA-N 336.391 4.059 0 40 EIAB COc1ccc(C[C@@H](C)NC(=O)c2cc3ccccc3s2)cc1 12401830 VNXONJPYECAJAX-CYBMUJFWSA-N 325.433 4.271 0 40 EIAB CC[C@H](C(=O)NCc1cc(-c2cccs2)on1)c1ccccc1 12725367 JCPDXSCNUXGWLG-HNNXBMFYSA-N 326.421 4.213 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(Br)ccc3F)ccc2o1 12882457 OHDBNDGSEVSKMN-UHFFFAOYSA-N 349.159 4.290 0 40 EIAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Cl 13939119 ZADIXKQPQVPAQF-UHFFFAOYSA-N 338.300 4.487 0 40 EIAB Cc1ccc2cc(CNCc3ccccc3Cl)c(=O)[nH]c2c1C 13998835 RYDGIWATRXTYMC-UHFFFAOYSA-N 326.827 4.088 0 40 EIAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)c1 14094285 RYHIFJZUEVNTDQ-CYBMUJFWSA-N 334.366 4.344 0 40 EIAB COc1ccccc1NC(=O)NCc1ccc(Cl)cc1Cl 18177226 ABQDSUIANCZZRN-UHFFFAOYSA-N 325.195 4.324 0 40 EIAB O=C(Nc1ccc(SC(F)F)cc1)c1cncn1-c1ccccc1 20674356 YWXQNJUOOXXIMK-UHFFFAOYSA-N 345.374 4.439 0 40 EIAB C[C@@H](O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 22108647 DNNVRAXONCIMGA-OAHLLOKOSA-N 339.410 4.471 0 40 EIAB CC(C)C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 23054065 XWNOGQDLMUKNLA-ZZJWQFMZSA-N 327.468 4.285 0 40 EIAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1cccs1 26212057 CFSGEXJZLNCYMA-CYBMUJFWSA-N 327.405 4.411 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1 29046655 YPULIIHVKBAAJW-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB CC1(C)C[C@@H](N[C@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 32124143 UNXPLMJNVBBABN-FXAWDEMLSA-N 339.435 4.052 0 40 EIAB biogenic CCCOc1ccccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 32914432 SPWRTEMDDFSHRN-UHFFFAOYSA-N 339.370 4.053 0 40 EIAB Cc1ccc(CN2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 39773472 ZZOPCFNNWNWOLC-UHFFFAOYSA-N 342.527 4.436 0 40 EIAB COc1cc(NC(=O)N[C@H](C)c2cccs2)c(OC)cc1Cl 40023911 CDSPDRUVKBAUDM-SECBINFHSA-N 340.832 4.301 0 40 EIAB Fc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 40086364 CXDQJWVKJLCDSN-HXUWFJFHSA-N 335.426 4.238 0 40 EIAB Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)oc2c1C(=O)CCC2 40089937 YDMKBKKBURWDID-UHFFFAOYSA-N 344.436 4.085 0 40 EIAB Cc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cn1 40120625 RBKUSRXXYZEBEO-UHFFFAOYSA-N 325.412 4.033 0 40 EIAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccccc1Cl 45888943 MVTDDKUDKIRJTF-UHFFFAOYSA-N 346.843 4.104 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412523 URYVRESPCUDNET-UHFFFAOYSA-N 339.782 4.185 0 40 EIAB COCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 59123291 NXYOZRAAHHKXFK-UHFFFAOYSA-N 337.448 4.334 0 40 EIAB CCc1cc2c(NC[C@H](c3ccc(F)cc3)N(C)C)ncnc2s1 59394320 UDKUBFXQLGMUST-MRXNPFEDSA-N 344.459 4.108 0 40 EIAB Cc1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)n1 60112748 JQUWRRVKMGJWOB-UHFFFAOYSA-N 344.462 4.306 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)N1CCCC[C@H]1Cc1ccccc1 65529349 IUDBSYJHUBPWAA-JKGDOXCYSA-N 346.430 4.465 0 40 EIAB CSc1nnc(COc2ccc(-c3csc(C)n3)cc2)s1 69662341 KJZDDCRCZZZLJF-UHFFFAOYSA-N 335.479 4.271 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 70010755 QBFZDGJNRHJGHZ-VQTJNVASSA-N 337.438 4.411 0 40 EIAB CC(C)Sc1ccc([C@H](C)NC(=O)N(C)Cc2ccncc2)cc1 71803464 QSZYYSUPAFRUPV-HNNXBMFYSA-N 343.496 4.485 0 40 EIAB CC[C@H](Nc1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(F)cc1 72291859 MAKWDOLSHKRUIL-INIZCTEOSA-N 336.432 4.069 0 40 EIAB CCCN(C(=O)Nc1ccc(OC)cc1)[C@@H]1C[C@@H](OCC)C1(C)C 72305981 FDNSIVRZMTWIHZ-IAGOWNOFSA-N 334.460 4.143 0 40 EIAB CNC(=O)c1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1 72912258 MNJSTJNGJLNCTN-UHFFFAOYSA-N 347.827 4.028 0 40 EIAB Cc1ccc2nc(-c3ccc(I)cc3)oc2c1 73639023 WMDXQWHNNLKABQ-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB Cc1cnc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)o1 75717861 NUJATBXAGXAJJW-CQSZACIVSA-N 345.201 4.002 0 40 EIAB Cc1nc([C@@H]2CCCN2C(=O)C2CCC(c3ccccc3)CC2)no1 76046554 VOSHPGKPWHWWLG-ABHNRTSZSA-N 339.439 4.016 0 40 EIAB COc1ccc(-c2nc3cc(Cl)cnc3o2)cc1Br 78407016 IXXXBXURDGVPBG-UHFFFAOYSA-N 339.576 4.314 0 40 EIAB Cc1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c2c(C)noc2n1 79025163 YBZJYVNCFKSFCN-UHFFFAOYSA-N 348.362 4.111 0 40 EIAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCSCC1 85651672 SGKFBILPMQDMEL-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB COc1ccc(C(=O)O[C@H](C)c2nccs2)cc1-c1ccccn1 89913774 STBWVCGABSTCQZ-GFCCVEGCSA-N 340.404 4.132 0 40 EIAB Cc1ccc([C@H](C)N[C@H](C)c2ccc(OCc3nccn3C)cc2)o1 95419412 NOZQKQSGAGPWKX-CVEARBPZSA-N 339.439 4.312 0 40 EIAB CCn1c([C@@H](C)Nc2nc(C(C)(C)C)ns2)nc2ccccc21 97165405 BINAVISYTVUZBJ-LLVKDONJSA-N 329.473 4.378 0 40 EIAB COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)ccc1O 100062365 PKAIECBWQZFYRP-PJQOYWCWSA-N 330.424 4.172 0 40 EIAB biogenic,in-vitro Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3[nH]ccc3c2)s1 106945113 UDVANMHGGOSLQR-NSHDSACASA-N 328.441 4.466 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O)OCCO3 118912695 FYVKKXPWOJKVKR-HSXTZPDUSA-N 334.500 4.133 0 40 EIAB CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580274 UFBTUTCUWJTLMO-KKXDTOCCSA-N 339.464 4.070 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2cccc(C)c2C)cc1 222815683 LIMRUBBUHMZDBI-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccccc1OC 223081191 XTEKOURFAOMDTI-QAPCUYQASA-N 327.424 4.038 0 40 EIAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223735882 JRGGWRSXNMFMKU-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1cccc(CSCC(=O)NCCOc2cccc(C)c2C)c1 223961968 JHXHLMQRZZWUEW-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC2CCCCCC2)cn1 224041915 IPDXGRZBQAVNEF-OAHLLOKOSA-N 346.544 4.470 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Cc3cccc(Cl)c3)s2)cc1 224064120 QZGASXMUGRVCPN-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB CCOc1nc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1 224335040 ZXXPLSNSQBZZEC-UHFFFAOYSA-N 347.418 4.411 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCOCc1ccccc1 224980906 YYVHGMDARXMMDL-UHFFFAOYSA-N 345.442 4.229 0 40 EIAB CC(C)(C)OC(=O)NCCC(=O)c1ccc2c3c(cccc13)CC2 225749918 NPGNVMSVKCNMQQ-UHFFFAOYSA-N 325.408 4.036 0 40 EIAB CCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCC(C)CC1 225901905 VKULEPUDVWBKRP-UHFFFAOYSA-N 342.439 4.167 0 40 EIAB Nc1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCC1 226263244 BBPUBDMCCUTIDR-UHFFFAOYSA-N 331.419 4.275 0 40 EIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1cccnc1C1CC1 390833119 CJIMITOSUWBAOI-UHFFFAOYSA-N 345.402 4.185 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1cc(C)ccc1C)c1ccccc1 408978740 JQPUNPRTUXZANW-SFHVURJKSA-N 340.423 4.119 0 40 EIAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1O[C@@H](C)CC 409314443 KNTJNEJKRDPRMO-JASJWYONSA-N 349.452 4.319 0 40 EIAB Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1nc(-c2ccccc2)oc1C 501964027 XICDJJCSDNJZCG-SFHVURJKSA-N 332.403 4.376 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)NCc1ccc(F)cc1 575619986 HHYQYVJJONHPHW-CYBMUJFWSA-N 342.439 4.471 0 40 EIAB O=C(CCc1c(Cl)cccc1Cl)N[C@H]1CCC12CCOCC2 585409281 MXBMAARIBYNEGF-HNNXBMFYSA-N 342.266 4.001 0 40 EIAB Cc1ccc(Cc2ccccn2)cc1NCc1cc2n(n1)CCCC2 650117109 DYGZUSVKRQMNRO-UHFFFAOYSA-N 332.451 4.126 0 40 EIAB Clc1ccc2oc(N3CCC[C@H](COc4ccncc4)C3)nc2c1 2070389248 JCIOHWMJRROFPA-ZDUSSCGKSA-N 343.814 4.172 0 40 EIAB CS[C@H]1CCCC[C@@]1(O)CSc1nc2ccccc2s1 33349 OXHBWMPKGGPMAO-DZGCQCFKSA-N 325.524 4.425 0 40 EIAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NC(C)(C)C 410756 FNOUNNLOLIEPKJ-UHFFFAOYSA-N 330.497 4.421 0 40 EIAB O=c1c2cc(-c3ccccc3)sc2nnn1CCCc1ccccc1 1785062 GSFWZINZBGXJDN-UHFFFAOYSA-N 347.443 4.153 0 40 EIAB Cc1cc(OCCCCn2c(CO)nc3ccccc32)ccc1Cl 1926893 GXIVAWXCPMANBS-UHFFFAOYSA-N 344.842 4.350 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1 3323347 BUYAWYMBNCMSQU-QGZVFWFLSA-N 349.478 4.067 0 40 EIAB COc1ccc(OC)c2sc(NC(=O)c3ccccc3Cl)nc12 4330793 HTEWELOCLYDMHU-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 4387860 USGKSIJYOHEDEV-YSDSKTICSA-N 330.468 4.261 0 40 EIAB biogenic,in-vitro O=C(Nc1ccc(Cl)cn1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4492329 LCCCEXQBOUOSBL-STQMWFEESA-N 341.625 4.261 0 40 EIAB CCOC(=O)C[C@@]1(c2cccc3ccccc23)OC(=O)c2ccccc21 5813389 JQIRIJZGQULFRC-QFIPXVFZSA-N 346.382 4.207 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)NCc3cccs3)s2)cc1 6764280 QUKBWZQEQGDTEO-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC1CCCCC1 6948827 FMBQTONQTAVODB-GXDHUFHOSA-N 332.831 4.095 0 40 EIAB Cc1cc(C)c(OCC(=O)NCCSCc2cccs2)c(C)c1 7271789 YXTGQSUQWNUTJW-UHFFFAOYSA-N 349.521 4.102 0 40 EIAB COc1cc(Cl)c(C)cc1N[C@@H](C(=O)NC1CC1)c1ccccc1 7546265 GZLHPEAYNBXFGA-GOSISDBHSA-N 344.842 4.089 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 7737623 QUZVSHSDZWGNBH-MDZDMXLPSA-N 347.418 4.428 0 40 EIAB Cc1cc(COC(=O)c2sc3cc(F)ccc3c2Cl)no1 7817378 MMYMJZYECYQPKA-UHFFFAOYSA-N 325.748 4.347 0 40 EIAB Cc1cc(OCC(=O)N2CCc3sccc3[C@H]2C)ccc1Cl 7829774 WUGZDICJQQYJRT-GFCCVEGCSA-N 335.856 4.235 0 40 EIAB CC(C)CCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 8383066 YSTPKMWBOXHEKO-UHFFFAOYSA-N 329.827 4.347 0 40 EIAB CC[C@@H](C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 8406126 XSAPWAIXKQLCRM-LJQANCHMSA-N 338.451 4.301 0 40 EIAB CC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccc(F)cc1 9135213 FJGNXUPSEPFXBL-GOSISDBHSA-N 335.382 4.272 0 40 EIAB O=C(/C=C/c1ccco1)NCc1ccc(-c2nc3ccccc3o2)cc1 9141104 JSYGSFMODYLRBW-VAWYXSNFSA-N 344.370 4.417 0 40 EIAB CCc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 9141367 NOZSOFPPYMZLAH-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB CN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cccc2)c1 9322007 IJKYXNHEMYXPOE-UHFFFAOYSA-N 330.840 4.464 0 40 EIAB O=C(NC1=NCCS1)c1sc2cc(Cl)ccc2c1Cl 9426103 VHELDDFGOKUYKY-UHFFFAOYSA-N 331.249 4.041 0 40 EIAB CCSc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1 11694668 WIOUHEWCRZOGFS-UHFFFAOYSA-N 345.449 4.086 0 40 EIAB Cc1nc2c(c(SCCCOc3ccc(Cl)cc3)n1)CCC2 12017002 JVPRKXLGVFKEFS-UHFFFAOYSA-N 334.872 4.488 0 40 EIAB O=C(c1csc(-c2cccs2)n1)N1CCc2sccc2C1 12216278 WWKJFOKAISYBTO-UHFFFAOYSA-N 332.475 4.132 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Cc1cc(-c2cccs2)on1 12422266 HKDUBVUUHYOGDC-UHFFFAOYSA-N 348.811 4.246 0 40 EIAB O=C(Nc1ccc(SC(F)F)cc1)[C@H]1COc2ccccc2C1 12922532 HXGBDVCASORPGE-GFCCVEGCSA-N 335.375 4.191 0 40 EIAB Cc1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 14052587 CHLNZEFYOKEHMY-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB Cc1nc(-c2ccccc2)c(C(=O)Nc2nc3c(s2)CCC3)s1 15637058 ZINBKIAOVQGSAY-UHFFFAOYSA-N 341.461 4.316 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)c1csc(-c2cccs2)n1 18086212 SEHPWSXGGHAPKI-LLVKDONJSA-N 344.461 4.371 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20038868 XQQUIKDZMPHETB-QGZVFWFLSA-N 341.451 4.046 0 40 EIAB CCOc1ccc(CCC(=O)NCCC2=CCCCC2)cc1OCC 20456779 UDUBWOIKKCBLLT-UHFFFAOYSA-N 345.483 4.423 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 20495816 LMWBBNWODSMSBF-LFYBBSHMSA-N 340.810 4.119 0 40 EIAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20795881 IOVMZXZSTWYRBU-INIZCTEOSA-N 348.450 4.113 0 40 EIAB COc1cc2nc(NC(=O)c3ccc(C)c(F)c3)sc2cc1OC 21559978 QKHLSZFEDUILCS-UHFFFAOYSA-N 346.383 4.013 0 40 EIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(Cl)ccc1C 21596257 TVHHHUOHIDQDAN-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccccc1OC[C@H]1CCCO1 21843778 KAHGUVWABDNEFK-MRXNPFEDSA-N 348.402 4.045 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1C 22534609 RLOZFPSFIYQLBZ-INIZCTEOSA-N 327.424 4.497 0 40 EIAB CCCc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 23691713 PMIUHGYVLXTWOI-QGZVFWFLSA-N 336.435 4.169 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1cccc(Cl)c1 23692916 NXPZRKMTTKXFFT-CYBMUJFWSA-N 349.883 4.459 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc2c1CCCC2 24431598 WJUGTGGIUCQAQK-UHFFFAOYSA-N 338.432 4.463 0 40 EIAB O=C(NCc1ccccn1)c1ccc(CSCc2ccccc2)cc1 24605946 HZXIWCGIPFSCPT-UHFFFAOYSA-N 348.471 4.445 0 40 EIAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccccc3C)cc2s1 25425924 SCBSTENFBMEVJB-LBPRGKRZSA-N 325.437 4.352 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccccc2)n[nH]1 28246170 GEOYOBZCIZBPEE-LBPRGKRZSA-N 341.798 4.136 0 40 EIAB C[C@@H](NC(=O)c1c(F)cccc1F)c1ccc(-n2cccc2)cc1 28304014 DFJCCLOIVUTBTR-CYBMUJFWSA-N 326.346 4.247 0 40 EIAB Cc1ccc(C)c(NC(=S)N2C(=O)CSc3ccccc32)c1 28527416 XOKUNTLOVXNNKQ-UHFFFAOYSA-N 328.462 4.139 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(C)cc1 29525124 KHXVPFPHDVBWIN-OAHLLOKOSA-N 329.465 4.363 0 40 EIAB Fc1cccc(-c2nc(COc3cccc(-c4nnco4)c3)co2)c1 31611237 KHWJBHBROMQAJI-UHFFFAOYSA-N 337.310 4.110 0 40 EIAB FC(F)(F)c1nn2cc(-c3ccc(Br)cc3)nc2s1 33505389 KSOBBFUKPBATOA-UHFFFAOYSA-N 348.147 4.239 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccc(C)cc1 38772857 YPALDAPDPSZYGR-VQTJNVASSA-N 341.451 4.429 0 40 EIAB CCc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 39757471 VGTNLWUHQPDWPE-UHFFFAOYSA-N 340.442 4.239 0 40 EIAB COc1cc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)ccc1O 41195130 JWRNNIRYISLCGV-UHFFFAOYSA-N 330.767 4.444 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 43000164 CUWGHLPWKPYACL-ZIUDEIKKSA-N 345.487 4.038 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 44903843 DJHHDGCSKSDSOW-HNAYVOBHSA-N 329.415 4.477 0 40 EIAB COC(=O)[C@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 48249399 MFSRWAFJAJFPNV-CVEARBPZSA-N 335.856 4.453 0 40 EIAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCC1 48738143 IFJBQNIYRGCYHW-UHFFFAOYSA-N 338.411 4.267 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)NCc2ccc(SC)cc2)cc1 56657545 VJYYTDDJZQWVPM-UHFFFAOYSA-N 343.452 4.079 0 40 EIAB Cc1sc2ncnc(NC[C@H](c3ccc(F)cc3)N(C)C)c2c1C 59394182 KMYZCCDHWXFYII-OAHLLOKOSA-N 344.459 4.162 0 40 EIAB C/C(=C\C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12)c1ccccc1 62472694 BFNDHCGMLHQIAG-ZQHYZAEZSA-N 333.387 4.386 0 40 EIAB Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1Br 70140284 IDUGTDTXWBSUMA-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB Cc1nnc([C@H](C)Nc2cccc(OCc3cccc(F)c3)c2)o1 71902532 PQVCLVLTYWYGLC-LBPRGKRZSA-N 327.359 4.269 0 40 EIAB C[C@H](O)C1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 71910305 NGEHUENTJKJMTE-ZDUSSCGKSA-N 338.407 4.211 0 40 EIAB CC(=O)c1ccc(NC(=O)N2Cc3cc(F)ccc3C[C@@H]2C)cc1 72291901 VHJZOMMWIAVTLJ-LBPRGKRZSA-N 326.371 4.007 0 40 EIAB c1ccc(Oc2cncc([C@@H]3CCCN3Cc3cccnc3)n2)cc1 72361889 IBYKBFNWCFAOGQ-IBGZPJMESA-N 332.407 4.001 0 40 EIAB O=C(CCn1cccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 73489054 QKWPDSZVQMPGPX-UHFFFAOYSA-N 336.420 4.122 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@H]2CCCC[C@@H]21 75108209 VIMWLXBDGDXBMK-ROUUACIJSA-N 346.471 4.045 0 40 EIAB Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccc1F 84013673 UBGSPOKGZGGCIQ-UHFFFAOYSA-N 343.333 4.051 0 40 EIAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc(OC(C)C)c2)S1 85412207 NPKPWHXPKLHLEM-MRXNPFEDSA-N 345.468 4.431 0 40 EIAB Cc1ccccc1NC(=O)N1CCC(CSc2ccccn2)CC1 85557676 LPQNZFLXKNFOBW-UHFFFAOYSA-N 341.480 4.426 0 40 EIAB O=C(c1c(F)cccc1F)N(Cc1ccoc1)Cc1cccs1 90612099 NWYDNVZBBZVMGZ-UHFFFAOYSA-N 333.359 4.462 0 40 EIAB CO[C@H]1CCCN(c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)C1 96122508 JVFYOYLNWVQYGX-IBGZPJMESA-N 339.439 4.254 0 40 EIAB O=C1Nc2ccccc2N/C1=C/c1ncc(C(F)(F)F)cc1Cl 100408293 IPGPYAYGNRZINK-AWNIVKPZSA-N 339.704 4.159 0 40 EIAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)CC2=O 100752941 BMSMPYBXRWNIIJ-NQXSOSHUSA-N 331.500 4.103 0 40 EIAB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102662909 XQGMEKZBGZRBBF-KUHUBIRLSA-N 346.390 4.245 0 40 EIAB CN(C)[C@H](CC(=O)C[C@H](c1cccs1)N(C)C)c1cccs1 104830331 UVFYSKQUMURGMT-HUUCEWRRSA-N 336.526 4.065 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1 113956332 LYDYGWVNLLNROL-SFHVURJKSA-N 347.842 4.213 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1cc2ccccc2o1 206942938 WHBNSLWFHZTEKV-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 222763505 BQDSGSRYHKVSHC-OAHLLOKOSA-N 339.435 4.370 0 40 EIAB CCc1ccc(OCCNC(=O)CCSCc2ccccc2)cc1 224278388 KPNFRKFZCLUGEQ-UHFFFAOYSA-N 343.492 4.068 0 40 EIAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 224666858 XRQPJGQIIMZPDJ-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COC(C)C 224722816 MQSAFEJOIYEQSU-UHFFFAOYSA-N 345.414 4.079 0 40 EIAB COc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225101882 MIQMFLQWJWHPMW-GOSISDBHSA-N 328.408 4.067 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccccc1C 225258149 SMIUBVWCCMRBPA-QGZVFWFLSA-N 347.480 4.050 0 40 EIAB CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 226254367 LAZOKAUHCVZTMP-UHFFFAOYSA-N 337.467 4.320 0 40 EIAB CN(C(=O)c1occ2c1CCC2)[C@H](c1ccccc1)c1ccccn1 585081627 DGAUCUCRNPTMQT-LJQANCHMSA-N 332.403 4.025 0 40 EIAB Cc1ccsc1CCC(=O)NCc1ccnc(-c2ccsc2)c1 585350829 SYASLEPAICYKNK-UHFFFAOYSA-N 342.489 4.429 0 40 EIAB O=C(c1cccc(Br)c1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 667397523 IOPLJRXGQSTEKG-HOTGVXAUSA-N 332.241 4.307 0 40 EIAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2ccccc2)C1=O 137361 GCFQIFPBARLFHR-KRWDZBQOSA-N 343.423 4.139 0 40 EIAB CCOC(=O)c1c(Cl)nc2cccc3c2c1-c1ccccc1C3=O 977703 QDMHMSXNXRVICD-UHFFFAOYSA-N 337.762 4.276 0 40 EIAB CCc1ccccc1Oc1coc2cc(OC(=O)OC)ccc2c1=O 1916189 ABPPGPPIAVNOEV-UHFFFAOYSA-N 340.331 4.293 0 40 EIAB CCN(CC)CCC[C@@H](C)Nc1c(C)cnc2c(OC)cccc12 2042663 CNKVVSRAKNUCQY-MRXNPFEDSA-N 329.488 4.474 0 40 EIAB COc1ccccc1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 2648677 AWSUWNUUNKNRND-UHFFFAOYSA-N 339.313 4.165 0 40 EIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1 2654304 CPRJMXFKVFNOLO-MRXNPFEDSA-N 331.415 4.192 0 40 EIAB CCCC(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 2688231 NOGMUMDTKVHIEC-LLVKDONJSA-N 344.069 4.365 0 40 EIAB Cc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 2715812 HSKRUTHOJFHMLO-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)cc1 2747506 JBTYLSFKVSPVOY-KRWDZBQOSA-N 346.430 4.119 0 40 EIAB Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1C 3475022 WHARKZZVOHSMSM-UHFFFAOYSA-N 345.449 4.146 0 40 EIAB COc1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 3607272 UIVQIOWEEXLGMV-UHFFFAOYSA-N 339.363 4.027 0 40 EIAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1C1CC1 4836046 WLNFODMIEGPATG-UHFFFAOYSA-N 343.408 4.058 0 40 EIAB N=C1S[C@H](c2ccccc2)C(=O)N1c1nc2ccccc2s1 5001313 GUMGQPGCSLWSPX-CYBMUJFWSA-N 325.418 4.052 0 40 EIAB Clc1ccc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)cc1 5213548 SOTSFIOTHKFEQE-UHFFFAOYSA-N 346.795 4.411 0 40 EIAB Cc1cc(-n2c(C)cc(-c3csc(N4CCCC4)n3)c2C)no1 5277571 SBOMYIUKULZJNP-UHFFFAOYSA-N 328.441 4.114 0 40 EIAB CCCOc1ccc([C@H](CN)c2c[nH]c3ccccc23)cc1OCC 6645703 NYFBITYSOMRRBO-KRWDZBQOSA-N 338.451 4.446 0 40 EIAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 7915687 IUTLZQDRUQZUIC-UHFFFAOYSA-N 343.766 4.097 0 40 EIAB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)C(F)(F)F 8053890 ALLQDUFOXQKHLP-UHFFFAOYSA-N 336.338 4.142 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2CCCCC2=O)cc1 8114083 PCGWRWFRMYUQFY-HXUWFJFHSA-N 348.446 4.011 0 40 EIAB Cc1ccccc1CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 8394412 NSQDZDSOMOHOII-UHFFFAOYSA-N 345.446 4.031 0 40 EIAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 8917292 VQAVEUVEVJNSEJ-INIZCTEOSA-N 339.778 4.012 0 40 EIAB NC(=O)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 8983187 PZKMCFSAJHIJNY-LLVKDONJSA-N 346.761 4.073 0 40 EIAB c1ccc(-c2nc(CSc3nncn3-c3ccccc3)co2)cc1 9368767 DADBZUPBYUUPTE-UHFFFAOYSA-N 334.404 4.215 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 10340403 OPAPWNLHGCJZSF-OAQYLSRUSA-N 349.478 4.062 0 40 EIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(C(C)(C)C)cc2)C1 10542860 SAFCROCOINQTEZ-IAGOWNOFSA-N 330.516 4.082 0 40 EIAB COc1ccc(C(=O)Oc2ccc(/C=C/c3ccccn3)cc2)cc1 11858862 JQIYNUULRNUYND-BJMVGYQFSA-N 331.371 4.480 0 40 EIAB Cc1ccc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1F 12889434 UHYKMHPWWLIYGT-CQSZACIVSA-N 344.455 4.464 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2coc(Br)c2)c1 12977385 CJTNQJFLCLPNPC-UHFFFAOYSA-N 338.201 4.298 0 40 EIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1c(F)cccc1F 13961269 ZQZBBVSRCVOIHK-UHFFFAOYSA-N 334.753 4.072 0 40 EIAB Cc1cccc(C(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)c1 14739307 KDNXQWLTSNWGNV-UHFFFAOYSA-N 338.451 4.185 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(C)=O)cc1 18831393 GXWGIYMCJLYIKM-UHFFFAOYSA-N 336.844 4.022 0 40 EIAB C[C@H](CNC(=O)[C@@H](C)Sc1nc2ccccc2o1)c1ccccc1 22018166 NOCJMNFPWUQURV-ZIAGYGMSSA-N 340.448 4.228 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccccc1N1CCCCCC1 22829057 VAHRHHNZJATVRK-UHFFFAOYSA-N 326.415 4.387 0 40 EIAB O=S(=O)(CCSc1ccc2ccccc2c1)Oc1ccccc1 24735850 FRKKSHVNUWKOAC-UHFFFAOYSA-N 344.457 4.341 0 40 EIAB Cc1ccc(Cn2cc(NC(=O)Cc3ccc(Cl)cc3)cn2)cc1 27920188 IAKSOOCIQPTMDH-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB Cc1nc2ccccc2nc1S[C@H](C)c1nc(C(C)(C)C)no1 28192448 QFIXIPNCLWDHFG-LLVKDONJSA-N 328.441 4.472 0 40 EIAB O=C1c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2)o1 28914533 QLRNGKCICXHTRS-UHFFFAOYSA-N 327.343 4.050 0 40 EIAB Cc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1Cl 32930934 GNMDMWLMPNNSHE-UHFFFAOYSA-N 325.799 4.015 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 36620316 KGOSHLLNYUTNHP-LJQANCHMSA-N 347.455 4.475 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 36620320 SOALETXGCFYBFV-LJQANCHMSA-N 329.465 4.083 0 40 EIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1 38772214 DRVYDFCGWMAURZ-LJQANCHMSA-N 347.480 4.069 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccco1 39978545 XMWLUHQDAGOLQA-NXEZZACHSA-N 328.195 4.231 0 40 EIAB CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)c(OC)cc1OC 40103513 ZKDBHWSYAMHUDC-UHFFFAOYSA-N 348.830 4.411 0 40 EIAB CCc1cc(-c2ccc(C=O)o2)cc(C)c1I 45889458 NOOGRBHXHXAXKB-UHFFFAOYSA-N 340.160 4.235 0 40 EIAB CNC(=O)c1ccc(CN(C)C2c3ccccc3-c3ccccc32)cc1 50507190 HEMZUBABIVXVJC-UHFFFAOYSA-N 342.442 4.248 0 40 EIAB COc1ccc(NC(=O)Nc2ccccc2Br)c(C)c1 51355890 ISGPRMGSEUVMHW-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 71909587 APZUUUGOTGMTGT-OYLFLEFRSA-N 348.512 4.212 0 40 EIAB Cc1nc(-c2ccccc2O)n(-c2nc(-c3ccccc3)cs2)n1 72370098 PQFYGHMLAKSBGX-UHFFFAOYSA-N 334.404 4.072 0 40 EIAB CC(=O)N[C@H](CC(=O)NCC1CCCCCCC1)c1ccc(C)cc1 84148678 ARNMIXCEPWDECS-HXUWFJFHSA-N 344.499 4.039 0 40 EIAB c1cnc(-c2ncc(-c3nc(-c4cc5ccccc5o4)no3)s2)nc1 84594991 NXGHWCSMJHYZSS-UHFFFAOYSA-N 347.359 4.063 0 40 EIAB COCCN(Cc1ccoc1)C(=O)c1ccc(-c2ccccc2)cc1 85474342 UQFDKOFPEWQACB-UHFFFAOYSA-N 335.403 4.235 0 40 EIAB O=C(CCCc1nc(C2CC2)no1)N1CCCCC[C@H]1c1ccco1 89794492 ONURZLQCHIPAEQ-HNNXBMFYSA-N 343.427 4.007 0 40 EIAB Cc1nnc(-c2ccc(NCc3csc(-c4ccccn4)n3)cc2)o1 95429258 GPVDZZUDQIMDIM-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB Cc1oc(-c2cccs2)nc1C[S@](=O)CCc1ccccc1 96404323 QAYSUSQRRXTKJM-QFIPXVFZSA-N 331.462 4.203 0 40 EIAB CC(C)(C(=O)O)c1ccc(NC(=O)c2cccc(F)c2Cl)cc1 97018971 SOSGZKCHJBDLDP-UHFFFAOYSA-N 335.762 4.094 0 40 EIAB C[C@H]1CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C2=C(O)C1 101545528 UNIZIMLURLYACS-BUXKBTBVSA-N 330.391 4.349 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(CN2CCCCC2)cc1 107083979 QQBUTKLJPKYNEI-PCCBWWKXSA-N 340.511 4.115 0 40 EIAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1I 216734380 TZBMFEXXBRBPFU-UHFFFAOYSA-N 334.160 4.143 0 40 EIAB CCSc1ccccc1C(=O)N[C@H](C)COc1ccccc1C 219649212 IMOSHZKNZRFHGA-OAHLLOKOSA-N 329.465 4.304 0 40 EIAB COC(=O)c1cccc(NC(=O)CCc2cccc3ccccc23)c1 222670623 RUIBCINTMNMBPT-UHFFFAOYSA-N 333.387 4.198 0 40 EIAB C[C@@H](CCc1ccccc1)OC(=O)c1snnc1-c1cccs1 223845802 PRSHAQCZFXFHQR-LBPRGKRZSA-N 344.461 4.445 0 40 EIAB CCOc1ccccc1NC(=S)NCCCc1cccc(C)c1 225391219 WHUGOGRTXJAAFW-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB CC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 225427367 RVQUFWGCJPBCSS-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB CC(C)C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 225492673 SDGKDEPWDLLBAX-MRXNPFEDSA-N 342.464 4.489 0 40 EIAB O=C(COc1cccc2c1CCCC2)N[C@H]1CCCc2ccccc21 225809741 YIUKPCQUBQSVJX-FQEVSTJZSA-N 335.447 4.138 0 40 EIAB S=C(Nc1ccc2c(c1)OCO2)NC1(c2cccs2)CCCC1 225852217 HAYAQLHHGVXDEW-UHFFFAOYSA-N 346.477 4.233 0 40 EIAB CC[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1 226774862 CWZXJJJZQNHAQG-UHFFFAOYSA-N 338.612 4.218 0 40 EIAB O=C(CCCCBr)c1ccc(Br)s1 394711440 HJEPRUVIGZIMER-UHFFFAOYSA-N 326.053 4.259 0 40 EIAB c1ccc(N2CCCCC2)c(-c2nc(-c3cc[nH]c4nccc3-4)no2)c1 566956610 ZRGNMAAEDYNNDG-UHFFFAOYSA-N 345.406 4.222 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)NCc1cccs1 575620472 KIYUDVNZFKVABG-LBPRGKRZSA-N 330.478 4.393 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCc3ccc(C)cc32)c1 1666239431 QHVSEMXENMDZBE-UHFFFAOYSA-N 343.814 4.201 0 40 EIAB CC(C)(C)c1ccc(CC[C@H](O)COc2ccc(C(=O)O)cc2)cc1 424 LNXBEIZREVRNTF-SFHVURJKSA-N 342.435 4.055 0 40 EIAB investigational O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1Nc1ccccc1 1000398 YUMXBCANBZNTAX-NBVRZTHBSA-N 345.427 4.405 0 40 EIAB CCn1c(SCC(=O)c2ccccc2F)nnc1-c1cccs1 2629137 XQXQQBBSUDKXOO-UHFFFAOYSA-N 347.440 4.141 0 40 EIAB CCOC(=O)N[C@@H](Sc1ccc(C)cc1)C(=O)c1ccccc1 3066360 FHHTUFYQWOBXEX-KRWDZBQOSA-N 329.421 4.042 0 40 EIAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1COc2ccccc2O1 3292680 YOAWZACDSSBTPW-OAQYLSRUSA-N 345.398 4.056 0 40 EIAB Cc1cc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc2n1C 4061531 FGSFSZJSJQRBFP-UHFFFAOYSA-N 346.352 4.436 0 40 EIAB CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1CC=CCCCC(=O)O 4096982 UQOQENZZLBSFKO-HANBKLAYSA-N 334.456 4.056 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1Br 4551697 PBMHKRZEEVTCCF-ZDUSSCGKSA-N 348.240 4.014 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)CSCc1nc2ccccc2s1 5062674 CIJCSNHYAHRNAI-QWHCGFSZSA-N 334.510 4.224 0 40 EIAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccco1 5091719 VBRIOEICHYNUMS-UHFFFAOYSA-N 349.415 4.203 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1F 5118067 QIXIHJIKPDFDQT-GFCCVEGCSA-N 325.339 4.044 0 40 EIAB O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12 6222105 VGTIFZYPOXXKSD-UHFFFAOYSA-N 341.750 4.025 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc2ccccc21 6255679 VYZVIBVLOVMIPC-UHFFFAOYSA-N 328.799 4.250 0 40 EIAB Cc1cc(Br)ccc1NC(=S)NCc1ccccc1 6336126 OFTRWZVHYVXYBG-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ncc(C)s2)cc1 6427061 NKJRVKFOCVKPOP-UHFFFAOYSA-N 343.477 4.373 0 40 EIAB C[C@H]1CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2C1 6607845 BUBYNBILEUADEX-LBPRGKRZSA-N 339.464 4.321 0 40 EIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1=Cc2ccccc2OC1 8131381 UHBKWYIUXLKGJU-UHFFFAOYSA-N 349.386 4.143 0 40 EIAB COc1cc(C)c(NC(=O)C2(c3ccccc3)CCC2)cc1OC 8186076 XIGXDBPDWNQIGM-UHFFFAOYSA-N 325.408 4.073 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc[nH]2)cs1 8187521 DLNLGVUNRZPCDV-UHFFFAOYSA-N 349.415 4.309 0 40 EIAB Cc1nn(C)c(C)c1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O 8427685 MOWPOKDSHHOPTR-SDNWHVSQSA-N 347.418 4.160 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccccc2N2CCCC2)N1C1CC1 8721303 LCZCIUHSMNMDBD-HXUWFJFHSA-N 333.435 4.016 0 40 EIAB CSc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 9448402 APTUASQDFNPJTA-SNVBAGLBSA-N 344.461 4.094 0 40 EIAB C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C1 10134985 XBNSTAMIWBWVRE-QRWLVFNGSA-N 349.430 4.013 0 40 EIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cccc2cccnc12 10538543 NXUMGHAJSWEPBA-UHFFFAOYSA-N 338.716 4.117 0 40 EIAB O=C(/C=C/c1ccco1)OCc1ccc(C(=O)Nc2ccccc2)cc1 11299002 GZYFHQZVKBZSRH-OUKQBFOZSA-N 347.370 4.289 0 40 EIAB Cc1sc2ncnc(SCc3cccc(C(=O)O)c3)c2c1C 11990480 PLVXFNDBDNKRQP-UHFFFAOYSA-N 330.434 4.299 0 40 EIAB O=C([C@@H]1CCCO1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185406 OIQBHQSYGAKNKZ-CABCVRRESA-N 346.452 4.026 0 40 EIAB CCOc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12534352 VQFMEEUWECHLBD-LLVKDONJSA-N 343.452 4.173 0 40 EIAB C[C@H]1CCc2nc(NC(=O)c3ccccc3OC(F)F)sc2C1 12798113 YAROZQGSZKUGGR-VIFPVBQESA-N 338.379 4.122 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 12982953 VRFMUFBLOVORKY-OAHLLOKOSA-N 327.424 4.202 0 40 EIAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 14179778 VGVZREKUUQVYDA-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB Fc1ccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1F 19344670 UWQYDPYZLVOKHK-GFCCVEGCSA-N 347.390 4.066 0 40 EIAB COc1ccc(CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)cc1F 23796845 GBLQEJXFOWJKAK-LBPRGKRZSA-N 347.455 4.293 0 40 EIAB CN(C(=O)c1cccc(Br)c1)c1nc2ccccc2s1 24831119 WIGOGBLAERMWLU-UHFFFAOYSA-N 347.237 4.335 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N[C@@H](c1ccccc1)C1CC1 25582253 DLFXJAHMKKSHQG-SFHVURJKSA-N 338.432 4.213 0 40 EIAB CCN(CC)C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971873 GDUABRHCDBQWEP-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)[C@H]1C[C@H]1c1ccccc1 28243018 VBCLXBRAJSAGEQ-ROUUACIJSA-N 334.444 4.230 0 40 EIAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc2ccccc2n1 32027850 CSKHMJMHSUJJAT-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB CCN(CC)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 32827439 MTGZNORURYLUTF-UHFFFAOYSA-N 340.442 4.338 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@H]1COc2ccccc2C1=O 35316504 GISZHYLEXPIQKP-HZPDHXFCSA-N 345.439 4.058 0 40 EIAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccco1 39553339 JPCJYVLNNOVFTB-LBPRGKRZSA-N 340.404 4.084 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1 47947595 NYGHZYFXKOKTET-UHFFFAOYSA-N 347.802 4.230 0 40 EIAB Cc1csc(N(C(=O)/C=C/c2cscn2)c2ccccc2)n1 50287695 LDEIPWGBWVSZRT-BQYQJAHWSA-N 327.434 4.286 0 40 EIAB Cc1ccc(-n2nnc(C(=O)NC3CCCCCCC3)c2C)cc1C 51318207 ZIZHADVRLDTYKD-UHFFFAOYSA-N 340.471 4.035 0 40 EIAB Cc1cccc(C)c1OC1CCN(Cc2nnc(C(C)(C)C)o2)CC1 51968854 HOMRYJCZODPJHS-UHFFFAOYSA-N 343.471 4.027 0 40 EIAB CC1(C)CC(=O)c2ccc(OCCOc3ccc(F)cc3)cc2O1 57991467 LOHCDWWSCTZCDL-UHFFFAOYSA-N 330.355 4.027 0 40 EIAB FC(F)(F)c1cccc(NC(=S)N[C@H]2COc3ccccc32)c1 58466683 WDQAMTYMMFILPK-ZDUSSCGKSA-N 338.354 4.126 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c1 65609190 CNTFHUDJFCXNMG-UHFFFAOYSA-N 349.390 4.315 0 40 EIAB Cc1ncsc1CN(C)C(=O)Nc1ccccc1C(F)(F)F 66594697 NQTIZZVAZMKPBN-UHFFFAOYSA-N 329.347 4.134 0 40 EIAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccccc1 67190083 KQMQRLBOHISDOE-LNVKXUELSA-N 341.370 4.313 0 40 EIAB C[C@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 69699031 OCPXEDPXWLYCES-GUOLPTJISA-N 341.461 4.157 0 40 EIAB Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1 71614460 UVFUARMQEIEXRG-KRWDZBQOSA-N 339.483 4.327 0 40 EIAB Cc1sc(NC(=O)CN(C)CC2CC2)nc1-c1ccc(Cl)cc1 71812722 TZYOCLLDIDBZAI-UHFFFAOYSA-N 349.887 4.052 0 40 EIAB CCCn1cc(NC(=O)Nc2ccc(-c3nccs3)cc2)cn1 72306976 YJPIJHJYFMKDLR-UHFFFAOYSA-N 327.413 4.061 0 40 EIAB CC(C)CC(=O)Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2 72404982 ZOVXGNVERFDOAJ-UHFFFAOYSA-N 339.395 4.393 0 40 EIAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccc(F)c3)ncc2C1 89642975 KTRBJROWFKZBEQ-CQSZACIVSA-N 327.403 4.019 0 40 EIAB CCC[C@]1(C(F)(F)F)CCCN1Cc1cccc(NC(C)=O)c1 89949960 RMWMOIMIGJYDTD-MRXNPFEDSA-N 328.378 4.342 0 40 EIAB CSC1(CN[C@@H](C)c2sc(C(C)C)nc2C)CCOCC1 90112984 PLNYTCCRJLUIBF-LBPRGKRZSA-N 328.547 4.138 0 40 EIAB Cc1nnc(CSCc2ccc(F)c3cccnc23)n1C1CC1 91617414 XQEMGQPCDCOWFI-UHFFFAOYSA-N 328.416 4.042 0 40 EIAB O=[S@@](Cc1ccc(Oc2ccccc2)c(F)c1)CC1CCOCC1 95439200 UMXRVSJOSOKBKQ-DEOSSOPVSA-N 348.439 4.293 0 40 EIAB CCO[C@@H](C)c1nccn1Cc1csc(-c2cccc(OC)c2)n1 95976415 MZSVPEHKOHCZOK-ZDUSSCGKSA-N 343.452 4.161 0 40 EIAB C[C@H](NC(=O)N1CCc2ccccc2C1)c1nc(C(C)(C)C)cs1 106573828 AQMIKWCQUMOCKL-ZDUSSCGKSA-N 343.496 4.270 0 40 EIAB CSc1ccsc1C(=O)N(CC(F)(F)F)c1ccccn1 107128269 WTRCDPOZUHBJOQ-UHFFFAOYSA-N 332.372 4.074 0 40 EIAB Cc1ccc(C)c(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 218951226 SIKHZUJQVKNPBD-KRWDZBQOSA-N 339.435 4.101 0 40 EIAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccccc2)c2ccccc2O1 223283868 WQRHKCNHERMCBX-KRWDZBQOSA-N 345.464 4.048 0 40 EIAB O=C(CCc1ccccc1F)NCCOc1cccc2ccccc12 223574432 XDMUETRFUVDIFS-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NC3CCCCC3)cn2)C1 224038708 AZDGAYOUYNSMQD-GJZGRUSLSA-N 346.544 4.183 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCCc1ccc(Cl)cc1 225094893 NQAXPITWHLJCBP-UHFFFAOYSA-N 326.198 4.034 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2cccnc12 225902756 OZPIZDDGCVWHDJ-HXUWFJFHSA-N 342.439 4.167 0 40 EIAB CC[C@H](C(=O)NC1(c2cccs2)CCOCC1)c1ccccc1 390828548 RVAAZSIONKMSKH-INIZCTEOSA-N 329.465 4.064 0 40 EIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cccc(O)c2)S1 408808778 GAXWWAHANWAPAT-UHFFFAOYSA-N 345.831 4.117 0 40 EIAB COc1ccc(-c2nc(C(=O)Nc3ccsc3)cs2)cc1OC 522921148 JOMQSYOWFWTXJA-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB Cn1cc(CNc2ccc(-c3cn4ccccc4n3)cc2)c(Cl)n1 1655358489 MZDZCOAUIUWDIN-UHFFFAOYSA-N 337.814 4.000 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 147373 LGFJYTFYWALUMR-WEVVVXLNSA-N 331.799 4.318 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]1C2 352948 HYKBGASCLFWFJV-ZBEGNZNMSA-N 325.330 4.039 0 40 EIAB CC[C@H](C)Nc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 535011 WJLDJLSRJYNFSG-VIFPVBQESA-N 337.514 4.475 0 40 EIAB Cc1ccc([C@H]2Oc3ccccc3C(=O)N2C(=O)c2ccccc2)cc1 1851359 DZFSABKQLNSTHG-JOCHJYFZSA-N 343.382 4.369 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1934464 QFVHVEZKQMTGNT-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 2887810 VUYOICDEYQPCMN-UHFFFAOYSA-N 337.448 4.093 0 40 EIAB COC(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1 3123736 GYGVHYZZDBBMLN-UHFFFAOYSA-N 332.355 4.497 0 40 EIAB O=C(NC1=NN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 3242556 WNXZPEOUEQFMIU-UHFFFAOYSA-N 348.328 4.051 0 40 EIAB COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)c(OC)c1 3292131 FCJSZBGISNYYTH-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB c1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccco2)cc1 3318720 FOHGYONWAFKEKV-HNNXBMFYSA-N 341.436 4.189 0 40 EIAB CSCCCNC(=S)N(Cc1ccccc1)c1ccccc1 3355149 WGUUSHMGTOYLRD-UHFFFAOYSA-N 330.522 4.321 0 40 EIAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)ccc2[nH]1 3590914 ZDQBLLDVDRUHHP-UHFFFAOYSA-N 339.464 4.473 0 40 EIAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)CCCC3 5516112 XOHQSXGKPRKURO-UHFFFAOYSA-N 341.432 4.421 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6792890 CRIVHRIQXWAUPO-UHFFFAOYSA-N 340.810 4.363 0 40 EIAB COc1ccc(CNC(=O)Cc2coc3ccc(C(C)C)cc23)cc1 6809880 JZQGTDXQJDUHLF-UHFFFAOYSA-N 337.419 4.424 0 40 EIAB CSCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 6823429 QTLLIARAEYATMP-UHFFFAOYSA-N 341.461 4.320 0 40 EIAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1cccc2ccccc12 6886684 WNMQEVZLRNFWOM-JLHYYAGUSA-N 349.361 4.174 0 40 EIAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 7195948 WNNMMIHARHYYNG-UHFFFAOYSA-N 349.799 4.022 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 7402233 HAOMBGUOZMKBDZ-UHFFFAOYSA-N 349.434 4.487 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(Cl)cc1 8157000 YUQAAVCWFAVHHJ-OAHLLOKOSA-N 349.887 4.360 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCC3)cccc2c1=O 8268810 USZKFWPUUMPUBH-UHFFFAOYSA-N 333.387 4.004 0 40 EIAB c1ccc(-c2cc(CSc3nc(-c4cccs4)n[nH]3)no2)cc1 8528058 RYXUNLYDDPZZDY-UHFFFAOYSA-N 340.433 4.481 0 40 EIAB C[C@@H](CC(=O)Nc1ccccc1)N[C@H]1CCSc2ccccc21 8728526 CMXRZRFRIQCFQP-YOEHRIQHSA-N 326.465 4.230 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc2ccccc12 11004443 MCEWVFXNSSEIIT-IBGZPJMESA-N 349.434 4.391 0 40 EIAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1O 11566315 XMACIVWYDFSIIO-HXUWFJFHSA-N 332.355 4.173 0 40 EIAB COc1ccc(C(=O)O)cc1OCc1ccc(Cl)cc1Cl 11827242 LLKTWGCEXXTIFB-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB O=C(c1cccs1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 12113188 KSGQBGIPJRZNCZ-UHFFFAOYSA-N 349.459 4.096 0 40 EIAB biogenic CC(C)n1c([C@@H](C)NC(=O)CC2CCCCC2)nc2cccnc21 12114074 VHZXGXBVFPOUIM-CQSZACIVSA-N 328.460 4.160 0 40 EIAB CCCCCn1c([C@H]2CC(=O)N(CCCC)C2)nc2ccccc21 14095511 OTAONVLBELIDEH-INIZCTEOSA-N 327.472 4.343 0 40 EIAB CCCCOc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2)c1 14291388 OKPUVKJURPWQFV-UHFFFAOYSA-N 341.407 4.295 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCCSCc2ccccc2C)c1 14399820 CRERQXHELWUXNH-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1 14604297 SYBTYMXCOXWQLT-UHFFFAOYSA-N 343.736 4.072 0 40 EIAB Cc1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c(C)c1 15190282 IGDCAZHRARDDOJ-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1ccc(Sc2ccc(NC(=O)C3=COCCO3)cc2)cc1C 15980723 NYSGYFWKFMOWEQ-UHFFFAOYSA-N 341.432 4.281 0 40 EIAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cnccn1 17066676 PAAKZQNFZHNSHA-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB Cc1ccc2nc(NC(=O)Cc3noc4ccc(C)cc34)sc2c1 19910216 CMUIMCJVKIIRHE-UHFFFAOYSA-N 337.404 4.236 0 40 EIAB Cc1cc(NC(=O)c2cccnc2Cl)ccc1-c1ccc(CO)o1 20143566 NSZJYTPPSBSNJX-UHFFFAOYSA-N 342.782 4.048 0 40 EIAB c1coc(-c2nc(CSC3=Nc4ccccc4CS3)no2)c1 23038220 MXGCKRAJXWFFBU-UHFFFAOYSA-N 329.406 4.497 0 40 EIAB CC(C)[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 24014502 VYFMCCSXYJMYAG-GOSISDBHSA-N 341.842 4.063 0 40 EIAB CN(C(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2s1 26957989 WGEKWRKZGUNHDS-UHFFFAOYSA-N 335.432 4.373 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1C 32476866 XYHBFXNQNKSONQ-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CCN(CC(C)C)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 32800766 JZMUDZUCQCOEMC-UHFFFAOYSA-N 343.471 4.297 0 40 EIAB O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1cccnc1 38678833 OSOZUGXAUQNHEX-UHFFFAOYSA-N 338.392 4.039 0 40 EIAB Cc1cc(C)n(-c2nc3c(C)cc(Br)c(C)c3s2)n1 45957888 KLRBCJJJTGDPBW-UHFFFAOYSA-N 336.258 4.478 0 40 EIAB Cc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c(Cl)c1 47155691 XEEJXRGQCFJIME-LLVKDONJSA-N 343.814 4.026 0 40 EIAB CCN(C(C)=O)c1nc(CN(C)[C@@H](C)c2ccc(C)s2)cs1 48353989 JXPUHWWDJKSHPC-LBPRGKRZSA-N 337.514 4.079 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cncn1-c1ccccc1 60553437 WIFIBYZKBZOSOK-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1Cl 62093946 JHTVSRZISHZDKL-UHFFFAOYSA-N 340.810 4.276 0 40 EIAB O=C(C[C@@H]1OCCc2sccc21)N1CCC[C@H]1c1ccsc1 69418812 MTLTXPLGBZDJDF-GJZGRUSLSA-N 333.478 4.177 0 40 EIAB CC(C)c1noc([C@@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 69659874 PAPZDTQULAEQII-CYBMUJFWSA-N 339.443 4.010 0 40 EIAB CCc1ccsc1C(=O)Nc1ccccc1NC1CCN(C)CC1 69772759 KPOGYBDXFDFFAQ-UHFFFAOYSA-N 343.496 4.069 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1cccc(Cl)c1 71287212 LGUISJGLNNXRGH-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 72292897 PKACCFLIOCAQCS-KDOFPFPSSA-N 339.414 4.236 0 40 EIAB Cc1ccc2c(ccn2CCC(=O)Nc2cccc3c2ccn3C)c1 72324591 UMNBTGJGQOXJPP-UHFFFAOYSA-N 331.419 4.470 0 40 EIAB biogenic c1cc([C@@H]2CCCN2Cc2ccc3[nH]ccc3c2)nc(-n2ccnc2)c1 72355500 FCDMQUZWUBPCCO-FQEVSTJZSA-N 343.434 4.086 0 40 EIAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1Cc1ccccc1 72359235 VOXYOIKNUCFHLE-SFHVURJKSA-N 347.466 4.123 0 40 EIAB Cc1cc2ncn([C@@H](C)c3nc(-c4cnn(C)c4)cs3)c2cc1C 84728295 IFCFTOAROMWHRL-ZDUSSCGKSA-N 337.452 4.119 0 40 EIAB COc1cccc2cc([C@@H](C)NCc3ccc([S@@](C)=O)cc3)oc12 85299269 MJVYCTUFHLBTKM-OZAJXLCCSA-N 343.448 4.030 0 40 EIAB O=C(NCC1(C2CC2)CCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 93353008 SHTSNNVEKVLUCB-UHFFFAOYSA-N 334.370 4.202 0 40 EIAB CS[C@H]1CCCC[C@@H]1NCc1cccc(COC2CCOCC2)c1 95967916 GCKMXBXQHMDWOJ-PMACEKPBSA-N 349.540 4.146 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc2c(c1)N(CC)CC2 96415919 PLLQSYZPCKMUDQ-SFHVURJKSA-N 338.455 4.079 0 40 EIAB CCc1nc(CSCc2nnc(Cc3ccccc3)o2)cs1 96433422 IDCJCCKWILNQFN-UHFFFAOYSA-N 331.466 4.113 0 40 EIAB CC[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1cccs1 97033487 IBUXCUADNFSHFS-ZIAGYGMSSA-N 332.473 4.086 0 40 EIAB Cc1cc(-c2nnc(CN[C@H](C)[C@@H](C)c3ccccc3)o2)c(C)o1 97110001 WLSVMDUXWMXXQJ-ZIAGYGMSSA-N 325.412 4.228 0 40 EIAB CC(C)Cn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc(O)cc1O2 101114450 NWNJPYRRUXKSLG-GOSISDBHSA-N 347.418 4.010 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1cncc(-c2ccsc2)c1 206947442 WNZNIQUTSYCKTO-UHFFFAOYSA-N 347.443 4.150 0 40 EIAB CC(C)c1ccccc1OCC(=O)NCCSC1CCCCC1 222806273 PAGANCPOEUIVFP-UHFFFAOYSA-N 335.513 4.371 0 40 EIAB C[C@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(F)cc1 225173866 MXFLXKZYULVOFF-JTQLQIEISA-N 331.441 4.483 0 40 EIAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(Cl)cc1Cl 227146776 CTIQFABCNVNISX-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB Cc1ccc(NC(=O)CCCn2cc(-c3ccc(F)cc3)cn2)cc1 257173536 PYQGTMLBGBYJBS-UHFFFAOYSA-N 337.398 4.417 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1 795626892 ROJNVZSMYGPZBR-AWEZNQCLSA-N 347.390 4.338 0 40 EIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3F)cc12 527598 KVGNRVPJRKOQKW-UHFFFAOYSA-N 342.322 4.276 0 40 EIAB biogenic O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 1599343 DOWTUMQBPSIGNG-UHFFFAOYSA-N 337.611 4.415 0 40 EIAB O=C(/C=C/c1ccco1)Nc1nnc(SCc2ccccc2)s1 2708220 LAQGWCLDFJGOTN-CMDGGOBGSA-N 343.433 4.075 0 40 EIAB CC(C)C(=O)Nc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 2729944 HYTDGYWIEZQVPH-MRXNPFEDSA-N 338.451 4.032 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(F)cccc1Cl 3571308 UKJUBEHYOUVZPT-UHFFFAOYSA-N 345.757 4.309 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 4330924 QMYHWSDICXWCNW-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(F)(F)F 4426667 HYZFTJPWHHPKTI-UHFFFAOYSA-N 330.375 4.112 0 40 EIAB CCO[C@H]1Nc2ccc(Br)cc2-c2ccccc2C1=O 4983940 LHBGIJMFYCHLPW-MRXNPFEDSA-N 332.197 4.087 0 40 EIAB C/C=C/C=C/C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 5702926 QFNFOAIFGOUKCR-BSWSSELBSA-N 326.392 4.400 0 40 EIAB Cc1ccc(-c2nc(CNC(=O)c3ccc(C(C)(C)C)cc3)no2)cc1 6205419 FXZKZBWPTBUJAJ-UHFFFAOYSA-N 349.434 4.273 0 40 EIAB Cc1ccc2c(CC(=O)Nc3nnc(C(C)C)s3)coc2c1C 6809921 ZISBUERHYFEPBA-UHFFFAOYSA-N 329.425 4.206 0 40 EIAB COc1cccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)c1 6810663 BPBNIAIZLKFVIM-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc2nc(C)sc2c1 7242063 NGEZEHWKXVQUQS-LLVKDONJSA-N 341.436 4.052 0 40 EIAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 7285404 HBQAXSPQXKUMLU-UHFFFAOYSA-N 343.382 4.297 0 40 EIAB CC(C)Cc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 7453400 BIEBLEAWWIMFOY-UHFFFAOYSA-N 332.407 4.333 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@H](c1ccc(OC)cc1)O2 7636264 XIWHMXQTJHZKHK-LJQANCHMSA-N 339.391 4.140 0 40 EIAB c1ccc2c(-c3nnc(SC[C@@H]4CCCO4)n3C3CC3)c[nH]c2c1 7791045 OMKWIUQPDMTDAF-ZDUSSCGKSA-N 340.452 4.032 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(C)cc2)cc1 7871789 XRZRTBKNRFTSTK-HNNXBMFYSA-N 329.465 4.143 0 40 EIAB O=C(Nc1ccccc1)c1ccc(-c2ccc3c(c2)OCCO3)s1 8329156 NJEFVMADRWTANS-UHFFFAOYSA-N 337.400 4.439 0 40 EIAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1 8471213 CUZBAPZIYQXSNI-BVQDOMOSSA-N 341.410 4.064 0 40 EIAB Cc1ccc(-n2nc(C(=O)O)nc2-c2cccc(Cl)c2)cc1Cl 8730864 FPDKQAMDTVBGCA-UHFFFAOYSA-N 348.189 4.248 0 40 EIAB Clc1ccccc1-c1nn2c(CCc3ccccc3)nnc2s1 9049342 SHBQDFUANBIYTM-UHFFFAOYSA-N 340.839 4.291 0 40 EIAB CC[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1 9420287 QYUPMGZUCAGSGF-QFBILLFUSA-N 333.435 4.420 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 12608554 VBRFZPFDVBILSV-QGFLDLQWSA-N 332.378 4.140 0 40 EIAB CN(C(=O)c1cccc(Br)c1)[C@@H]1CCc2ccccc21 12996432 FRVRFFAEISCHAO-MRXNPFEDSA-N 330.225 4.209 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccccc2)cc(C)c1Cl 13648032 ZJLSHFOPEYBMEV-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB COc1cc(C)c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC 14125072 HESJDKULUTWDNN-UHFFFAOYSA-N 338.407 4.363 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 14790009 ADJOLGXJPDUXDG-ZDUSSCGKSA-N 337.341 4.098 0 40 EIAB CC[C@@H]1c2ccsc2CCN1Cc1cc(C(C)=O)ccc1OC 15037428 RIJSKCDRZXILFA-QGZVFWFLSA-N 329.465 4.469 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 18124795 JBHBPOVBASQXME-HNNXBMFYSA-N 348.402 4.365 0 40 EIAB S=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccccc1 18943647 SHWHDFSPZMMAGG-UHFFFAOYSA-N 339.508 4.159 0 40 EIAB Cc1cc(NC(=O)c2cc(F)ccc2F)ccc1Br 19478388 LFUDZDQXISSGCQ-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 20491196 QCCHLRUMPVNLJF-SFHVURJKSA-N 327.424 4.498 0 40 EIAB O=C1CCCc2c1c(Nc1ccccc1F)nn2-c1ccc(F)cc1 20672128 RQVICCWGCDMAEE-UHFFFAOYSA-N 339.345 4.413 0 40 EIAB O=C(c1ccc(COc2ccccc2)o1)N1CCCc2ccccc21 23654942 HWLZXDOKCOSUJO-UHFFFAOYSA-N 333.387 4.452 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1ccc(C(F)(F)F)nc1 25899831 VPYFXQPLUPGJMD-UHFFFAOYSA-N 338.310 4.067 0 40 EIAB CCSc1ccccc1C(=O)NCCCN(C)c1ccccc1 30014902 SFHSBGRLEXBHJL-UHFFFAOYSA-N 328.481 4.055 0 40 EIAB CC(C)[C@H](Sc1ncnc2ccsc12)C(=O)NC1CCCCC1 30705240 QDZOCJSLULVZQY-AWEZNQCLSA-N 349.525 4.257 0 40 EIAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21 32097022 BCYNOMBKZHWJEE-CQSZACIVSA-N 349.409 4.009 0 40 EIAB Cc1cc(C(=O)NC2CCCCCCC2)c(C)n1-c1cccnc1 32656470 NYSIIYHZYZOLDB-UHFFFAOYSA-N 325.456 4.332 0 40 EIAB c1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1 33262423 JUOOVTALIJOPMJ-UHFFFAOYSA-N 346.415 4.486 0 40 EIAB Cc1cc(C)cc(-n2ncc3c(NCCc4cccs4)ncnc32)c1 35681885 IONOTCKIRGLYAE-UHFFFAOYSA-N 349.463 4.148 0 40 EIAB Brc1cc(CNc2cccnc2N2CCCC2)cs1 36934120 XKYJUZTVNMZEHK-UHFFFAOYSA-N 338.274 4.118 0 40 EIAB COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1O 38410787 BNDMWBMVOITFQA-UHFFFAOYSA-N 339.326 4.065 0 40 EIAB Cc1cccc(C)c1NC(=O)c1n[nH]nc1Nc1cccc(Cl)c1 38487359 FPWDQORALSGPOQ-UHFFFAOYSA-N 341.802 4.071 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1 44935477 MJQFVBNXMAVOJU-FQEVSTJZSA-N 333.435 4.121 0 40 EIAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1-n1cnnc1 45920707 HMDDTIKOJDYQMC-UHFFFAOYSA-N 334.379 4.208 0 40 EIAB C[C@@H](NC(=S)N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1 53534353 KHHVOZSRDRQLTM-DYVFJYSZSA-N 344.455 4.265 0 40 EIAB CN(CCc1ccccc1)C(=O)c1cccc2c3c([nH]c12)CCCC3 58393140 GFXPXWDISAKNGN-UHFFFAOYSA-N 332.447 4.361 0 40 EIAB CC(C)[C@@H](C(=O)NCC1(N(C)C)CCCC1)c1ccc(Cl)cc1 62580890 BSGGBZGAJYWBGI-QGZVFWFLSA-N 336.907 4.070 0 40 EIAB O=c1[nH]c(C2CC2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 63837413 XTVAZRRICARVJF-UHFFFAOYSA-N 330.309 4.486 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 69528093 SKRSBVYQHGWTOR-UHFFFAOYSA-N 341.342 4.124 0 40 EIAB CC[C@H](C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 72291482 PVTLIXLOVACHPV-ZDUSSCGKSA-N 330.453 4.005 0 40 EIAB CC(C)c1nnc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)o1 76093803 TWYGWSPUYYUFLJ-UHFFFAOYSA-N 335.407 4.016 0 40 EIAB Cc1ccccc1NC(=O)Nc1ccc(OC[C@H]2CCOC2)cc1 77178069 VKPYJJLJACXYNI-HNNXBMFYSA-N 326.396 4.054 0 40 EIAB Cc1n[nH]cc1CN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 78553893 ZHASOLNQJSSBID-NSHDSACASA-N 330.432 4.140 0 40 EIAB CC(C)COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cn1 79049873 KJGTXWIWHNUKGJ-VQIMIIECSA-N 338.451 4.135 0 40 EIAB O=C(NCCCNc1ccncc1)Nc1ccccc1-c1ccccc1 79073047 JINBGSOEGOQOFK-UHFFFAOYSA-N 346.434 4.372 0 40 EIAB Cc1ccccc1[C@@H](NC(=O)CCc1nnc(C(C)C)o1)C(C)(C)C 79635576 GEVVROVJBNZQTD-GOSISDBHSA-N 343.471 4.338 0 40 EIAB O[C@H]1COc2c(F)ccc(F)c2[C@H]1Sc1ccc(Cl)cc1 85221444 XYALFOHXBMXTOG-WFASDCNBSA-N 328.767 4.205 0 40 EIAB CCOC(=O)Nc1cccc(NCc2cn3cc(C)ccc3n2)c1C 95414837 GSZAHOIDRLYZGC-UHFFFAOYSA-N 338.411 4.132 0 40 EIAB c1ccc(-c2csc3ncnc(N4CCC[C@H]4c4ncc[nH]4)c23)cc1 95467587 SOJWTOOIIQCOOG-HNNXBMFYSA-N 347.447 4.423 0 40 EIAB CC(C)CCO[C@H]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)C1 95973979 DXZKAJZVJSLSCB-KRWDZBQOSA-N 343.427 4.011 0 40 EIAB Cc1nc(SCc2nnc(C3CC3)o2)c2c(C)c(C)sc2n1 98125809 WTXBMEMSDCJKTB-UHFFFAOYSA-N 332.454 4.169 0 40 EIAB Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C/c1c[nH]c2ccc(F)cc12 100178864 HSNURCMOAGKBIH-LHHJGKSTSA-N 326.352 4.342 0 40 EIAB COc1ccc2cc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)[nH]c2c1 101345385 HRRXLTIACAATCR-VBKZILBWSA-N 326.440 4.217 0 40 EIAB C[C@@H]1CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C2=C(O)C1 101545547 UNIZIMLURLYACS-CWTRNNRKSA-N 330.391 4.349 0 40 EIAB C[C@H]1C[C@H](N[C@H]2CCO[C@@]3(CCSC3)C2)c2ccsc2S1 108461300 BQMRMHBEIDYWOT-DUPGQFARSA-N 341.567 4.318 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 186944813 KWHHXZLVNMDWRM-OAQYLSRUSA-N 346.430 4.305 0 40 EIAB CCC[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccsc1 191196412 REAFGVAHDXZSMO-INIZCTEOSA-N 332.469 4.077 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(C)ccc1OC 222979966 STUXSICRTQYVHM-SFHVURJKSA-N 327.424 4.417 0 40 EIAB CCc1ccc(CC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 225288159 SQIAKKXSTJQEOH-LJQANCHMSA-N 325.452 4.376 0 40 EIAB NC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1 225493795 JQHCZQZHBQNILZ-UHFFFAOYSA-N 335.432 4.263 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCCOC)cc2)CCCCCC1 225659897 MVCBANXKCXUFTL-UHFFFAOYSA-N 349.471 4.170 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2ccc(C)c(C)c2)c1 408706012 STGMEDFLZKHRTG-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(C)c1-c1ccccc1 409198943 MQFFBUTXNCFCBP-VZCXRCSSSA-N 340.423 4.196 0 40 EIAB CC(C)(C)c1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)no1 607781394 JXLXXPALMLIIJV-LJQANCHMSA-N 349.434 4.019 0 40 EIAB O=C(Nc1ccccc1)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@@H]12 1565520631 ZHHYLICSOMEKNA-ICSRJNTNSA-N 341.499 4.195 0 40 EIAB biogenic Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c1 121783 LYGAYMOOKNIQMY-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 352749 QHHDYPYDVOOPPP-MSOLQXFVSA-N 335.831 4.073 0 40 EIAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(O)cc1 814186 GVEASZXTPIWSBV-HXUWFJFHSA-N 346.386 4.172 0 40 EIAB O=C(Nc1ccc(Cl)cc1)SC1=NCC(=O)N1c1ccccc1 1575314 ULRZFDUVHOARIZ-UHFFFAOYSA-N 345.811 4.008 0 40 EIAB O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S1 2290811 IXTOZTHYDCUXSC-OQLLNIDSSA-N 345.807 4.243 0 40 EIAB O=C(OC1c2ccccc2-c2ccccc21)[C@@H]1COc2ccccc2O1 2624841 VMSNSMZSBHXOAS-FQEVSTJZSA-N 344.366 4.140 0 40 EIAB COc1ccc(Cl)cc1-c1noc(-c2noc3c2C[C@H](C)CC3)n1 2803670 VNOPDQGTRBFPLL-SECBINFHSA-N 345.786 4.178 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCCC1 3215694 WMBXQZYSDAJXAQ-DYVFJYSZSA-N 348.899 4.357 0 40 EIAB Cc1cc(C)c(-c2nnc(NC(=O)Cc3ccccc3)s2)c(C)c1 4070444 IXPBAMCXSBWOQV-UHFFFAOYSA-N 337.448 4.312 0 40 EIAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NC1CC1 4742931 OMJWDZRKKNVISN-UHFFFAOYSA-N 325.452 4.055 0 40 EIAB Cc1nc(CSc2nnc(-c3ccccc3Cl)n2C)cs1 5448374 NBFRPIWRJQNSTB-UHFFFAOYSA-N 336.873 4.193 0 40 EIAB CCCCc1ccn(CCSCC(=O)OC)c1-c1ccccc1 5591189 ONIIVIMRXQBABJ-UHFFFAOYSA-N 331.481 4.404 0 40 EIAB Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 5968844 WMERLQVUKZOXLM-UHFFFAOYSA-N 343.839 4.409 0 40 EIAB CSc1nc2ccccc2n1Cc1nnc(-c2ccc(C)cc2)o1 6664773 SFDWEQKECOKPFQ-UHFFFAOYSA-N 336.420 4.165 0 40 EIAB O=C([C@H](Sc1ncnc2ccccc12)c1ccccc1)N1CCCC1 6991369 CTNLGFUBUUSPOM-GOSISDBHSA-N 349.459 4.086 0 40 EIAB CCc1ccc2c(CC(=O)N[C@@H]3CCOc4ccccc43)coc2c1 7216764 XAAKPTCWZBUISU-GOSISDBHSA-N 335.403 4.178 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1C1CC1 7886040 KIAKROHFOHYXAQ-INIZCTEOSA-N 332.325 4.434 0 40 EIAB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccnc1 7990905 GRWHBMUSJYDXMI-INIZCTEOSA-N 332.403 4.152 0 40 EIAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 8389436 WRAJOVWHKHUZGJ-UHFFFAOYSA-N 331.730 4.491 0 40 EIAB O=C(O)c1ccc(CNc2ccc(Br)cc2Cl)o1 8729673 KGXOWDAQXXYRKM-UHFFFAOYSA-N 330.565 4.006 0 40 EIAB CCc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 9063108 IQFWOBZHTHUABM-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB Cc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111316 GPXMPCQSMHZXHE-UHFFFAOYSA-N 337.379 4.085 0 40 EIAB Cc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 12544344 LKQMNGJUSABYFJ-GFCCVEGCSA-N 329.350 4.231 0 40 EIAB Clc1ccc(-c2nc3ccc(Cl)nn3c2Br)cc1 15020283 VOOBYVROFBSXFN-UHFFFAOYSA-N 343.011 4.466 0 40 EIAB CCSc1nnc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)s1 16706197 GMKDUFIKYPZYAJ-ACFJMREFSA-N 335.454 4.018 0 40 EIAB COc1ccc(/C=C(\CC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 17314809 BXPGIWVNRUKSAB-GXDHUFHOSA-N 330.767 4.090 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc2ncccc12 18823668 OPUGRTBBDBDAGQ-UHFFFAOYSA-N 344.414 4.325 0 40 EIAB CN1CCN([C@@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 19801754 UYUKSGQLYHPHCQ-SFHVURJKSA-N 335.278 4.330 0 40 EIAB COc1ccc(CCNCc2ccc(-c3ccccc3F)o2)cc1 19872545 GIWHSWRPTWHHIN-UHFFFAOYSA-N 325.383 4.427 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)C1 20037762 WRXZAWCBAHPXSJ-SFHVURJKSA-N 336.479 4.191 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2ccc(C)cc2)cc1 22053781 GVORFUSAOKEGGQ-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB Cc1ccc(Sc2ncccc2C(=O)NCc2ccccn2)cc1C 22506355 FGYBDRSUZNNNLG-UHFFFAOYSA-N 349.459 4.175 0 40 EIAB O=C(c1ccc(Br)o1)N1CCCSc2ccccc21 23228294 NSSJWVWSADDJNI-UHFFFAOYSA-N 338.226 4.185 0 40 EIAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1cccc2ccccc12 24691087 XDSVTISKRLMEBD-KRWDZBQOSA-N 345.446 4.488 0 40 EIAB CN(C(=O)Cc1ccc2c(c1)CCCC2)c1nc2ccccc2s1 26963737 FWAPDRIBXGUAKE-UHFFFAOYSA-N 336.460 4.381 0 40 EIAB Cc1ccc2c(CC(=O)Oc3cccnc3)c(Br)oc2c1 27587386 PCIPVTAAJFTBTF-UHFFFAOYSA-N 346.180 4.047 0 40 EIAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)cc1 27662594 SCDMLAUWFYDYBL-ZDUSSCGKSA-N 328.412 4.083 0 40 EIAB c1csc(-c2noc(CCCSc3ncc4ccccn34)n2)c1 27667352 WUGGGMOVWJGERO-UHFFFAOYSA-N 342.449 4.171 0 40 EIAB O=C(NCc1ccccc1)c1ccc(COc2ccc(F)cc2F)o1 27983712 XQDWEVVEZMRXHR-UHFFFAOYSA-N 343.329 4.067 0 40 EIAB Cc1ccc2c(c1)SCC(=O)N2C(=S)Nc1ccccc1C 28527686 ZGKMHPCKQQVHCS-UHFFFAOYSA-N 328.462 4.139 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 32656457 OTROWJPKZNZGGX-KSSFIOAISA-N 328.456 4.124 0 40 EIAB COCCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1 32721558 ZOQYAOLJVKMKOS-UHFFFAOYSA-N 339.464 4.192 0 40 EIAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1OC 32796215 USWDQSPUIBZBEK-INIZCTEOSA-N 345.826 4.335 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccc(Cl)c2)on1 32830211 QHEYMDZKELNGCF-UHFFFAOYSA-N 338.754 4.124 0 40 EIAB COc1ccc(Sc2ccccc2C[C@H](C)N(C)C)cc1OC 33895880 GACPGDCZXXWKFP-AWEZNQCLSA-N 331.481 4.348 0 40 EIAB CCCCOc1ccc(C(=O)N(Cc2cccn2C)C2CC2)cc1 35277420 ZYDUYLWLRIRJHF-UHFFFAOYSA-N 326.440 4.009 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCC2)c(OC)c1 40009662 IMCPBVPYRYVSLI-SFHVURJKSA-N 331.456 4.338 0 40 EIAB O=C(CCc1cccs1)Nc1cc(N2CCCC2=O)ccc1Cl 40090718 XYFSEBUNTYKDKR-UHFFFAOYSA-N 348.855 4.100 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(NC(C)=O)c1 44883621 RGAZVYMYCPQNBF-IBGZPJMESA-N 340.423 4.058 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1cccs1 48301568 ZPKAJNGDUNZWFP-LSDHHAIUSA-N 328.437 4.118 0 40 EIAB Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1-c1nccs1 57997155 FMESSCKQQZICEX-UHFFFAOYSA-N 339.449 4.131 0 40 EIAB CCN(C)c1cccc(NC(=O)CCCOc2ccccc2C)c1 58173923 NXLJVVFFIYGKGJ-UHFFFAOYSA-N 326.440 4.249 0 40 EIAB CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cc2ccccc2o1 58198015 PBCDUTCQPZBBHU-AWEZNQCLSA-N 347.418 4.252 0 40 EIAB CC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1 59741256 RMWPFTAQDICGCC-LJQANCHMSA-N 346.434 4.182 0 40 EIAB COc1cccc(-c2nc(CN(C)[C@H](C)C3CC3)cs2)c1OC 69371670 JYHPIAMLZMSFFT-GFCCVEGCSA-N 332.469 4.058 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(NC2CCOCC2)cc1 69814000 KSNIORHBTWCJCE-XCVCLJGOSA-N 340.398 4.069 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](c2cccc(O)c2)S1 71285223 YTKUAEDVIMLKKU-HNNXBMFYSA-N 329.425 4.296 0 40 EIAB CCC(CC)S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1 71892342 MQXQKKDVKSCNMR-UHFFFAOYSA-N 327.833 4.098 0 40 EIAB Cc1ccc(N[C@H](C)c2ccccc2Cl)cc1NS(C)(=O)=O 71902608 APFTUGUGNBOGAB-GFCCVEGCSA-N 338.860 4.193 0 40 EIAB COc1cccc(CCNC(=O)Nc2c(C)cccc2C(C)C)c1O 71920146 MJGJHNGOZRSGLG-UHFFFAOYSA-N 342.439 4.197 0 40 EIAB CCc1nnc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 73626779 YXALHEMTBNOIDV-UHFFFAOYSA-N 339.239 4.282 0 40 EIAB C[C@@H](NCc1cn2cc(Br)ccc2n1)c1ccsc1 95420693 UYSVOWPGRLCWSS-SNVBAGLBSA-N 336.258 4.009 0 40 EIAB C[C@H](Nc1ccc2nnc(C(F)F)n2n1)c1csc2ccccc12 95426261 UBUJHHNLSOYYNT-VIFPVBQESA-N 345.378 4.450 0 40 EIAB CN(Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccsc1)CC2 96051550 IJCPROVHLAQASS-GOSISDBHSA-N 330.497 4.218 0 40 EIAB CCSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CCCC1=N2 102675330 YJJDXIBXJWLBNU-CYBMUJFWSA-N 332.454 4.123 0 40 EIAB C[C@@H]1C[C@H](N[C@H](C)c2ccccc2OCc2ccccc2)CCO1 108160556 QJBBUCADNSODJC-ZHALLVOQSA-N 325.452 4.484 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(C)ccc1C 113960276 FPGXPAHXKAVFBV-CRAIPNDOSA-N 329.415 4.477 0 40 EIAB COC(=O)CCCCCOc1ccc(OCc2ccccc2)cc1 114635738 IXBIJAKLCQAJPQ-UHFFFAOYSA-N 328.408 4.378 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c1 219541583 GRFSTAMSZLITKY-INIZCTEOSA-N 345.870 4.473 0 40 EIAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cccs1 222955882 MASWBMCZJVAQHG-UHFFFAOYSA-N 345.855 4.182 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)CCc2ccccc2Cl)c1 224032873 SCFNOJACPOWPDV-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB COc1ccc(C(=O)NC2CC2)cc1COc1cc(C)cc(C)c1C 224274081 HZVRTXCDASHRJM-UHFFFAOYSA-N 339.435 4.092 0 40 EIAB CCc1ccc(OCCNC(=O)C2(c3ccccc3)CCCC2)cc1 225165321 KFCARJAPTDXVAS-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB CC(C)n1cnc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccn2)c1 225606136 AOLWGPWGUNXAQR-KRWDZBQOSA-N 348.450 4.263 0 40 EIAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(Cl)s1 225650214 MKKICWWTAIQSTC-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB CCOC(=O)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 226235871 DMPIEBGNOCPMRY-UHFFFAOYSA-N 345.196 4.169 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 227157242 UIOKZFRRCWNKTL-UHFFFAOYSA-N 349.228 4.071 0 40 EIAB C[C@H](N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 529539799 UVULMLKXJCFEHM-KBXCAEBGSA-N 344.405 4.390 0 40 EIAB O=C(O)c1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1Cl 585091909 FOMONZDAKCSXEA-GFCCVEGCSA-N 332.783 4.121 0 40 EIAB CCC[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 535867 IQGKXCIZIPCLSZ-MRXNPFEDSA-N 327.815 4.488 0 40 EIAB Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(F)c(F)c2)c1 1393227 XIEBZDFRVZKHLU-UHFFFAOYSA-N 327.277 4.192 0 40 EIAB CCC(CC)c1nnc(NC(=O)CCCOc2ccccc2)s1 1791450 GZICYVLSBHFCBD-UHFFFAOYSA-N 333.457 4.239 0 40 EIAB c1cnc2c(OCc3ccc(-c4nnc5n4CCC5)cc3)cccc2c1 3257098 QXGVPBYQNPJHIT-UHFFFAOYSA-N 342.402 4.019 0 40 EIAB COc1ccc(Nc2c(-c3ccc(C)cc3)nc3cnccn23)cc1 3896467 CFUAXSMTOZGNKU-UHFFFAOYSA-N 330.391 4.457 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1 4050112 QIOCRCNQUZAYHU-UHFFFAOYSA-N 347.480 4.265 0 40 EIAB Clc1ccc(-c2nnc3sc(-c4ccncc4)nn23)c(Cl)c1 4785304 CHXZCKZQWOXUQV-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB Cc1cc(C)cc(NC(=O)CSc2ncnc3sc(C)cc23)c1 5017226 IRMPHQUWGWSJDG-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB CCOc1ccc(Nc2ncc(-c3nc4ccccc4o3)cn2)cc1 5332978 XAVPSAHERODVHX-UHFFFAOYSA-N 332.363 4.427 0 40 EIAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccn2)o1 5524553 GECVBFAJZDIADU-YLJYHZDGSA-N 331.375 4.225 0 40 EIAB CCCC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C)cc1 5545873 KCJFTQNSWVCYFR-UHFFFAOYSA-N 349.478 4.242 0 40 EIAB C[C@H]1[C@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677597 OKEDHTSICXDDKB-KGRLDLLASA-N 348.398 4.437 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 5860882 JSKYOWKJAQRQFH-LLVKDONJSA-N 348.855 4.418 0 40 EIAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 5865813 HYULSAPJGDHJCO-ZDUSSCGKSA-N 344.484 4.211 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl 6495694 PFCFFMAAAABZNG-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB O=C(Nc1nc(-c2cccs2)cs1)c1cnc2ccccc2n1 6647139 BKFYVYHRXWZAER-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB CC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1 6831390 PZUXUWDUQWJJCR-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)cc1 7605328 KSAJQVZTYPBXPU-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 7737893 QMYKOXKABNJGQM-UHSVVUDUSA-N 332.465 4.387 0 40 EIAB Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 11009393 KYKDECUULRYXSN-UHFFFAOYSA-N 335.363 4.484 0 40 EIAB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1F 12813332 WSEANLGDOJUBKM-LLVKDONJSA-N 349.431 4.376 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(F)c3)cc2)cs1 12980578 PSNKXOHOSJLNTC-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCc1nnsc1C(=O)Nc1cccc(Oc2ccccc2)c1 12993130 JBCQSBFZOOVZMH-UHFFFAOYSA-N 325.393 4.145 0 40 EIAB COc1ccc(Cl)cc1NC(=S)NCCc1ccc(F)cc1 13815748 SHRQPWFWJRKQKS-UHFFFAOYSA-N 338.835 4.017 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc2nc(SC)sc2c1 19597617 OJAWMKFFQFGGBC-UHFFFAOYSA-N 333.438 4.129 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 20894588 JBXMAYLAFFEHSG-UHFFFAOYSA-N 344.480 4.337 0 40 EIAB CCc1ccc(OC(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1 29473646 ZVMKWFFYBZAAEZ-UHFFFAOYSA-N 336.391 4.146 0 40 EIAB O=C(NCCSCc1ccco1)c1ccc(Cl)c(Cl)c1 31252439 OCFHALHSGRUKNI-UHFFFAOYSA-N 330.236 4.250 0 40 EIAB NC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 32901844 LGFCLFMXHCAZHT-UHFFFAOYSA-N 349.390 4.009 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)c1cc2ccccc2o1 32914240 JYXJCTMHRLOIOW-GFCCVEGCSA-N 346.386 4.283 0 40 EIAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc2ccccc12 33186007 NXTJUUTWYGTNIA-UHFFFAOYSA-N 346.430 4.237 0 40 EIAB Cc1ccc(C)c(-n2ncc3c(NCCc4cccs4)ncnc32)c1 35681882 IIFOWZCKMAGDKU-UHFFFAOYSA-N 349.463 4.148 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(Cl)cc2)cc1 40040242 DKGYPIROCAABRX-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB Cc1ccc(OCC(=O)O[C@H](c2ccccc2)c2ccccn2)cc1C 42622131 AJZZHWYRBWCQLQ-JOCHJYFZSA-N 347.414 4.410 0 40 EIAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2F)n1 47409216 DJMBZYMWYDOBST-UHFFFAOYSA-N 345.324 4.159 0 40 EIAB C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)C1CC1 48278571 TVLSGHBQPHLEHI-GFCCVEGCSA-N 347.418 4.296 0 40 EIAB CCCN(C(=O)c1ccoc1)c1cccc(NC(=O)c2ccoc2)c1 59338863 FVCIJVINBLJMNW-UHFFFAOYSA-N 338.363 4.182 0 40 EIAB O=C(C=C1CCCCC1)OCc1cccc(C(=O)N2CCCCC2)c1 63551061 UYXJLFDQIYNCJZ-UHFFFAOYSA-N 341.451 4.246 0 40 EIAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 65491126 IGLCUIUJSQUBEK-UKRRQHHQSA-N 339.391 4.109 0 40 EIAB COc1ccccc1[C@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1 65496048 RVEZHVDNUUIBDP-IAGOWNOFSA-N 327.449 4.051 0 40 EIAB O=C(CSCc1ccccn1)N(Cc1ccco1)c1ccccc1 69348664 KPRCFAIZIZJBGD-UHFFFAOYSA-N 338.432 4.141 0 40 EIAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c(N)c1 70462903 SBQQVUDDJNDXKD-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB O=C([C@@H](NCc1cc2ccccc2o1)c1ccccc1)N1CCCCC1 71818568 WCNOQJZUBCXPOE-NRFANRHFSA-N 348.446 4.276 0 40 EIAB CCCCN1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214443 YXDAZUMCOLEERM-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1N1CCCCC1 72216100 NNPUJWYPSWALMZ-INIZCTEOSA-N 331.460 4.144 0 40 EIAB O=C(NC1CCC(N2CCCCC2)CC1)c1cc2c(s1)CCCC2 75106140 KHLKMRRTTPCIMB-UHFFFAOYSA-N 346.540 4.154 0 40 EIAB CC(=O)N(CCC(=O)Nc1c(C)cccc1Cl)Cc1ccccc1 80822636 BNJNTOVSCMJKNU-UHFFFAOYSA-N 344.842 4.026 0 40 EIAB C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)[C@H](C)CO1 84705527 GCJMTZUUGJVYCA-MNOVXSKESA-N 331.462 4.365 0 40 EIAB COCCn1ccc2cc(C(=O)Nc3cccc4c3ccn4C)ccc21 85875532 BMGVKMXQPYYCOZ-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic O=C(c1ccoc1)N1CCC(N[C@@H](c2ccccc2)C2CCC2)CC1 89826062 LVQZAIKJMBVWFI-FQEVSTJZSA-N 338.451 4.015 0 40 EIAB CCC(C)(C)[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1c1cccs1 89941985 PFMBKFVQLFWOEE-WBVHZDCISA-N 334.529 4.312 0 40 EIAB CCSc1ccccc1NC(=O)N[C@H](C)C[C@H](O)c1ccco1 95413274 HTQJEYYZOXTZIP-OCCSQVGLSA-N 334.441 4.025 0 40 EIAB Cc1cc2occ(CC(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)c2cc1C 95991270 IPPPNLNYQMNISB-MSOLQXFVSA-N 343.467 4.302 0 40 EIAB O=C(Cc1ccc(F)cc1)NCc1ccccc1-c1ccsc1 96122887 LCEHNVQGOBSJKC-UHFFFAOYSA-N 325.408 4.413 0 40 EIAB COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)c(OC)c1 96410587 LNSWVHONQSFEEN-UHFFFAOYSA-N 344.436 4.087 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1OCC 98066491 FZTMKQGFBMJXKD-UHFFFAOYSA-N 329.396 4.222 0 40 EIAB COc1ccc2ccccc2c1CN1[C@H]2CC[C@H]1c1cnc(C)nc1C2 100189462 OCDHPYUMOFHCFC-KKSFZXQISA-N 345.446 4.209 0 40 EIAB Brc1sc(Br)c2c1SCCS2 169446610 ZGMKNAXQTFUEIZ-UHFFFAOYSA-N 332.107 4.471 0 40 EIAB Cc1ccc(COc2c(Cl)cc(CO)cc2Br)cc1 216911227 TYNBIMZZTRUKRX-UHFFFAOYSA-N 341.632 4.482 0 40 EIAB CCOc1cc(C=O)ccc1OCCCCN1C[C@@H](C)C[C@@H](C)C1 217799283 VRJPPWFPVGSCAS-CALCHBBNSA-N 333.472 4.035 0 40 EIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223441982 DTDLQMTUEXYXDQ-SFHVURJKSA-N 325.452 4.485 0 40 EIAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Sc1ccccc1 225094909 ODCDRZXBQGPXFL-CQSZACIVSA-N 326.339 4.493 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2OC)cc1 225119706 RXKXCEZYWCIUGT-QAPCUYQASA-N 341.451 4.292 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c2cccnc12 225893491 CLZAFBNJKPFHQP-LJQANCHMSA-N 330.428 4.167 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)no1 226097434 AKPMFUKDIMOPAI-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C(F)(F)F)nc1 244975085 IASWPPWWLDZEFI-LLVKDONJSA-N 348.324 4.208 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)CC2)no1 257261787 LIVMBSPUIAEVFA-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CC(C)c1ccccc1C(=O)[C@@H](Br)CBr 394502231 BTRRAMQVOOIBSN-NSHDSACASA-N 334.051 4.151 0 40 EIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC(C)C)cc1 408677780 RKXXXZQTVZJRLI-UHFFFAOYSA-N 348.446 4.260 0 40 EIAB Cc1ccccc1NC(=O)N[C@H](c1cccs1)C1CCOCC1 1565523583 RJARJWCHHMQPDY-KRWDZBQOSA-N 330.453 4.346 0 40 EIAB c1ccc2oc(N3CC(n4c(C5CC5)nc5ccccc54)C3)nc2c1 1775972817 XBWQBQZZPMIATL-UHFFFAOYSA-N 330.391 4.116 0 40 EIAB O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccccc1 193153 KPWSJNXHIGYYPB-UHFFFAOYSA-N 325.433 4.067 0 40 EIAB CCc1cccc(C)c1NC(=S)NC(=O)c1cc2ccccc2o1 359672 XUTQTLXUYLAXEL-UHFFFAOYSA-N 338.432 4.430 0 40 EIAB CCOC(=O)c1c(C)oc(C)c1-c1c(C)oc(C)c1C(=O)OCC 480969 KORZCVQPBYRPJE-UHFFFAOYSA-N 334.368 4.127 0 40 EIAB COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1O 818077 FOODDPCBOMIZIC-FQEVSTJZSA-N 335.407 4.162 0 40 EIAB Cc1ccccc1-c1nc(-c2ccc(Br)cc2)cc(=O)o1 1260383 XKOAMXFGSATERH-UHFFFAOYSA-N 342.192 4.440 0 40 EIAB CCCOc1ccc([C@@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 1817887 PRFDGICCQOULOE-FGZHOGPDSA-N 339.479 4.388 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1Cl 3602887 VBQBDTIQOIYZDB-JTQLQIEISA-N 340.206 4.408 0 40 EIAB CC(C)c1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 4988201 RTMJLZAYRQNWJN-UHFFFAOYSA-N 333.387 4.398 0 40 EIAB CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 6881027 VQKIMASYLDGNOC-AWEZNQCLSA-N 346.858 4.198 0 40 EIAB COc1cc(C)c(N[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 7057704 JMGQHFCFYIYXJH-ZDUSSCGKSA-N 338.407 4.177 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1CC(F)(F)F 7113639 BFMAXWJACDBUDE-AWEZNQCLSA-N 342.267 4.094 0 40 EIAB Cc1nc(NC(=O)Cc2csc(-c3ccccc3)n2)sc1C 7995760 CWQLOMFNVSEYCY-UHFFFAOYSA-N 329.450 4.065 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(OC(C)C)c1 8479481 NFBNINJLEHOXGT-KRWDZBQOSA-N 331.387 4.409 0 40 EIAB CCC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 8586213 HKECWHUIVDCHNK-UHFFFAOYSA-N 340.467 4.216 0 40 EIAB CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 8723335 IBLHXHXLBIDJFG-UHFFFAOYSA-N 336.863 4.245 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC 8987170 RJNPZOJIQBKHHP-UHFFFAOYSA-N 347.798 4.202 0 40 EIAB COc1ccccc1NC(=O)/C=C/c1ccc(Br)s1 9721401 ZTGJUQXUKWSHHD-VQHVLOKHSA-N 338.226 4.171 0 40 EIAB O=C(Nc1ccccc1OCC(F)(F)F)c1cc2ccccc2[nH]1 10115814 WINYOWACRAEKLM-UHFFFAOYSA-N 334.297 4.361 0 40 EIAB CC(C)c1nnc(SCC(=O)c2ccccc2)n1Cc1ccco1 10930356 KGNFZSUSLVCWIJ-UHFFFAOYSA-N 341.436 4.018 0 40 EIAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc2ccccc2o1 10997999 KUGIOZBMIYOPCI-UHFFFAOYSA-N 329.739 4.110 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccccc1Cl 11916083 OECZNEULAHZCBS-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC(C)n1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 12162098 RFPICSVUKAMLRD-YRPNKDGESA-N 337.467 4.166 0 40 EIAB O=C(Oc1ccc(Cl)c(Cl)c1)c1cc(=O)[nH]c2ccccc12 14084423 UAPRMJBOZSUPAI-UHFFFAOYSA-N 334.158 4.054 0 40 EIAB CCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1ccccc1C 14123573 KSBZJKUKFBYWEA-UHFFFAOYSA-N 341.842 4.319 0 40 EIAB O=C(Cc1c(F)cccc1Cl)n1cccc/c1=N\C1CCCCC1 14903709 MPVWVKZRRDNVHX-RELWKKBWSA-N 346.833 4.397 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(F)c1 17291364 ZPXLTQVABXTVCV-GFCCVEGCSA-N 343.427 4.067 0 40 EIAB CC[C@@H](NC(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccc(C)cc1 17841640 WOZHZIFEIWFGGB-QGZVFWFLSA-N 335.403 4.291 0 40 EIAB c1ccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 19371988 CDXYRMUILHXPIA-HNNXBMFYSA-N 325.437 4.178 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1noc2c1CCCCC2 20352544 BGIZFEROVUEFMU-UHFFFAOYSA-N 349.228 4.267 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(C)cc1 20457813 IVPVFBBQELRYIM-KRWDZBQOSA-N 331.843 4.464 0 40 EIAB Cn1cc(C(=O)Nc2c(Cl)cccc2Cl)c(=O)c2ccccc21 22234142 BLAUKEOMSDFEGC-UHFFFAOYSA-N 347.201 4.098 0 40 EIAB Cc1ccc(Cc2cnc(NC(=O)c3ccccn3)s2)cc1Cl 22866372 QHMXGSQONQUDLF-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccsc1 23957538 XRBUIWCBQUMADY-UHFFFAOYSA-N 345.855 4.168 0 40 EIAB CC[C@H](NC(=O)Cc1ccccc1OC)c1ccccc1OC(F)F 27353085 UPSGSRWGLXBUBM-HNNXBMFYSA-N 349.377 4.107 0 40 EIAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)c2ccccn2)cc1 27584584 OKFHDDNMJHLOCD-UHFFFAOYSA-N 346.430 4.311 0 40 EIAB CCc1cc(C(=O)Nc2ccc(CN3CCCC3)cc2)sc1C 28163736 VFFJFXAJIMCYQW-UHFFFAOYSA-N 328.481 4.467 0 40 EIAB Cc1ccc2nc(NC(=O)c3ccn(C4CCCC4)n3)sc2c1 28223055 AJXZIUICHHLUNV-UHFFFAOYSA-N 326.425 4.169 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1Cl 30755469 SHETZYBDFLQVNJ-DHZHZOJOSA-N 329.783 4.169 0 40 EIAB Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(C(C)C)cc1 33298677 PRFDJAQPWPBVAM-UHFFFAOYSA-N 339.464 4.296 0 40 EIAB C/C=C/[C@H]1[C@H](C(=O)OCc2c(F)c(F)c(C)c(F)c2F)C1(C)C 35930126 AGMMRUPNXPWLGF-PFDYWKIBSA-N 330.321 4.443 0 40 EIAB in-man COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c(OC)c1 36357349 XHCACBXPDDWTHC-MRXNPFEDSA-N 349.390 4.013 0 40 EIAB CCc1ccc(C(=O)c2cccc(I)c2)cc1 36941836 BINIEUUJZAIYLP-UHFFFAOYSA-N 336.172 4.085 0 40 EIAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccccc2Cl)cc1 40105793 ZTTLUDKOIBEDKQ-OALUTQOASA-N 331.843 4.219 0 40 EIAB O=C(CCCOc1ccccc1)Nc1ccc(Oc2ncccn2)cc1 48202695 FKPCKRONJRAIDX-UHFFFAOYSA-N 349.390 4.067 0 40 EIAB c1ccc(-c2cnc(SCc3noc(C4CC4)n3)n2C2CC2)cc1 52891640 PEOXVIFYTAUALT-UHFFFAOYSA-N 338.436 4.438 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 55525343 AQZPKEMPHCAXLQ-MRXNPFEDSA-N 346.858 4.111 0 40 EIAB CCc1noc([C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)n1 57467074 SMVPCYSTHUDWHJ-LBPRGKRZSA-N 328.441 4.108 0 40 EIAB O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1COc2ccccc21 58620837 HFKZNWUHVOKELU-SFHVURJKSA-N 338.407 4.263 0 40 EIAB Clc1ccccc1CCN1CCN(C/C=C/c2ccccc2)CC1 58906129 WAOMTGFQTISZAX-RMKNXTFCSA-N 340.898 4.214 0 40 EIAB Clc1cncc(NCc2ccccc2OCc2ccccc2)n1 64914658 QQKYHJNPIYHDDS-UHFFFAOYSA-N 325.799 4.321 0 40 EIAB O=C(Nc1ccccc1F)N(Cc1ccccc1)CC1CCOCC1 69595201 PPFREDABLRHISA-UHFFFAOYSA-N 342.414 4.286 0 40 EIAB CO[C@H](CNC(=O)N[C@@H](CC(C)C)c1ccccc1)c1ccccc1 71923387 RTKMDGYGUVLYRC-VQTJNVASSA-N 340.467 4.461 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 95068003 NGTHMJGPLKVJGY-UHFFFAOYSA-N 325.380 4.108 0 40 EIAB CC(=O)N(Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1)C(C)C 95429193 KBUDGWFUOYPQSA-UHFFFAOYSA-N 342.487 4.007 0 40 EIAB FC(F)(F)c1cccc(C(F)(F)F)c1I 95932961 GKDHSZYHTBFNEJ-UHFFFAOYSA-N 340.004 4.329 0 40 EIAB Cc1ccccc1NC(=O)N1CCC(Oc2ncccc2Cl)CC1 96024847 WWSURGMTFGMDQT-UHFFFAOYSA-N 345.830 4.119 0 40 EIAB O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 103950030 GYXYSDLSMHXYGV-TVFCKZIOSA-N 341.838 4.356 0 40 EIAB Cc1nn(C)c(NC(=O)c2csc(-c3ccccc3Cl)n2)c1C 106718775 GFZXOGJJLHVXHE-UHFFFAOYSA-N 346.843 4.066 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2)cc1 219487560 LQSUSSNZXOMEMG-OXJNMPFZSA-N 341.451 4.366 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 223164770 IRIGLOSUHHWYKS-UHFFFAOYSA-N 338.451 4.015 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1cc(C)cc(C)c1 224528779 HGQZDBVJHXFGOE-UHFFFAOYSA-N 341.451 4.419 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1=CCCCC1 225098684 OAXOYBZIXYVDRS-FQEVSTJZSA-N 327.468 4.339 0 40 EIAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 225169513 JXAJNRUKHCENJP-SNVBAGLBSA-N 339.511 4.158 0 40 EIAB CSc1ccccc1NC(=O)c1snnc1-c1ccc(C)cc1 225776202 ATJYUEVTFMOJMN-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB Nc1nc2c(Cl)cc(NC(=O)c3cccc(Cl)c3)cc2s1 226310432 SXWLHMQPNJZDPP-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB Cc1ncc(-c2cc([C@@H]3CCCN3Cc3ccccc3)ccn2)n1C 257306758 SVSOHKBQDHGNRY-FQEVSTJZSA-N 332.451 4.128 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257311878 ULJQFESOTPYJHX-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB Cc1c(F)cccc1NC(=O)CSc1nc2ccccc2s1 409175946 FJQLIMOKAASZJQ-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB CCCNC(=O)c1cccc(N[C@H]2CCc3c2ccc(OC)c3F)c1 585083697 PIHDLCTZIMGYGG-KRWDZBQOSA-N 342.414 4.074 0 40 EIAB Cc1c(NC(=O)NC[C@H]2CCCC23CC3)cccc1-c1ncco1 626571089 PYQRMWZHKSWBPM-CQSZACIVSA-N 325.412 4.352 0 40 EIAB CC(C)(C)[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)c2ccccc21 630064672 SRUYZVBFMRDXIK-SFHVURJKSA-N 343.492 4.240 0 40 EIAB COc1ccccc1[C@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 532477 NGCAJKYLIFVFND-HZPDHXFCSA-N 340.814 4.086 0 40 EIAB O=C(Nc1ccccc1)O[C@H]1[C@@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 2272635 WALSPJVXZJWMIB-NQYYFHDYSA-N 328.456 4.278 0 40 EIAB Cc1cc(Cl)ccc1OCc1nnc(S)n1-c1ccccc1 2549869 JEURIIQPMNMJGR-UHFFFAOYSA-N 331.828 4.097 0 40 EIAB S=C(NNc1ccnc2cc(Cl)ccc12)NC1CCCCC1 3225717 CZQOEFYISQODDH-UHFFFAOYSA-N 334.876 4.012 0 40 EIAB CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 3429032 QZVSLQMICJOBNL-AWEZNQCLSA-N 345.826 4.268 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1C 3439592 NWWIDAXDPWOPNV-UHFFFAOYSA-N 349.430 4.452 0 40 EIAB Cc1ccccc1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 3453945 WAKMZFZMYNLKMN-QFIPXVFZSA-N 344.414 4.115 0 40 EIAB COc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)cc1 3455928 OLAVKYUVWRVZGH-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB Cc1cccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)c1 3497239 SAMHYHOPAYQFKM-UHFFFAOYSA-N 337.375 4.194 0 40 EIAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc(Cl)c1OC 3553973 XYMZHHSLCQGYDK-MRXNPFEDSA-N 345.826 4.165 0 40 EIAB N=C1c2ccccc2CN1c1ccc(-c2nnc3n2CCCCC3)cc1 4137213 YAJOVMHVQDVXIT-UHFFFAOYSA-N 343.434 4.017 0 40 EIAB Nc1ccccc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 4708514 BVUUTTKRHVMONJ-UHFFFAOYSA-N 327.236 4.306 0 40 EIAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 4861166 SKWRWGSRIJQGBX-UHFFFAOYSA-N 349.459 4.179 0 40 EIAB Cc1nc(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cs1 5183556 UBISCWKOWODFPJ-UHFFFAOYSA-N 347.440 4.204 0 40 EIAB FC(F)(F)c1ccccc1Cn1nnc(-c2ccccc2Cl)n1 5470210 IKWKXJOHBSPVLC-UHFFFAOYSA-N 338.720 4.061 0 40 EIAB COc1ccc(-n2c(C)c(C)c3c(NCc4ccco4)ncnc32)cc1 6670411 UHVNZDTZLGQJQI-UHFFFAOYSA-N 348.406 4.251 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 7028244 CWIREUOYRDTFPL-HNSFDTNUSA-N 348.512 4.067 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1F 7966010 NYFSZOGFMWYKHW-LLVKDONJSA-N 336.204 4.388 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@H]2CCCC[C@H]2C1 7989330 HDTJIAVVRNFQAF-NEPJUHHUSA-N 333.432 4.479 0 40 EIAB CSc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 7990210 DRRXYFSVFXNHLA-UHFFFAOYSA-N 325.355 4.357 0 40 EIAB CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 8429667 IOPSYCPQTUGECU-UHFFFAOYSA-N 345.402 4.264 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(F)cc1 8704553 KWBJCPFFBPUIOV-OUKQBFOZSA-N 335.382 4.280 0 40 EIAB CSc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 12038545 SUKHZCUCQVIPMF-UHFFFAOYSA-N 338.226 4.129 0 40 EIAB CC(C)(C)CC(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088212 LNYQTADVGWHLMB-UHFFFAOYSA-N 333.435 4.327 0 40 EIAB Cc1ccc(-c2noc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1 12937510 YZUUFZZLABHDJM-UHFFFAOYSA-N 348.358 4.039 0 40 EIAB C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)n1c(=O)cnc2ccccc21 12979483 PHJQKBJFWFHGCV-AWEZNQCLSA-N 334.419 4.138 0 40 EIAB C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 15503027 PBCWGDQFBUCLNH-QBDMZSJRSA-N 348.446 4.163 0 40 EIAB Cc1nn(-c2ccc(C(=O)N3CCC(C)CC3)cc2)c(C)c1Cl 17355508 XXHQDBXINAWZEN-UHFFFAOYSA-N 331.847 4.015 0 40 EIAB O=c1cc(-c2ccccc2)nc(Nc2nc(-c3ccccc3)cs2)[nH]1 19819615 VLEFDLHCVGLPLP-UHFFFAOYSA-N 346.415 4.304 0 40 EIAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20490472 NUZLLRCMNUOJNP-AWEZNQCLSA-N 335.494 4.065 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(C[C@H](C)c1ccccc1)C3 20610320 ILPSLAONNXJLLQ-HNNXBMFYSA-N 349.430 4.311 0 40 EIAB biogenic Cc1cc(NC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 22357921 SWHXURRFRVEHCC-GOSISDBHSA-N 339.370 4.375 0 40 EIAB Cc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 22390134 YSWCGNGLKZYVCB-UHFFFAOYSA-N 345.489 4.491 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 23113967 IGXRSOSDGCCFQV-CHWSQXEVSA-N 326.362 4.061 0 40 EIAB O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCCCC2)nc1 25064836 MMNOUXYPOCWNGA-UHFFFAOYSA-N 348.450 4.055 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(OC2CCCC2)cc1 28228483 KIPKKDAPKMHJGD-UHFFFAOYSA-N 339.391 4.032 0 40 EIAB O=C(OCc1ccccc1F)c1ccc(COc2ccc(F)cc2)o1 28578015 URXRYMGZWUQBJB-UHFFFAOYSA-N 344.313 4.494 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1cccs1 28795553 OEEHZDLCXVGWMX-KRWDZBQOSA-N 338.436 4.115 0 40 EIAB Cc1nc(C)c(C(=O)N(C)Cc2cccc(Cl)c2Cl)s1 30899233 PHENALJUOOUXKT-UHFFFAOYSA-N 329.252 4.339 0 40 EIAB COC(=O)Nc1snc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1 32797095 CTESIRLERGMMLR-UHFFFAOYSA-N 347.440 4.180 0 40 EIAB CC1(C)C=CN(c2ccc(-c3nc4ccccc4o3)cc2)C(=S)N1 34926688 OHIGEUQHAHKZMT-UHFFFAOYSA-N 335.432 4.482 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2cc(F)ccc2F)C1 36364873 LHVKPTNUOOWHFT-GFCCVEGCSA-N 343.308 4.413 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1 36394166 GARCNQIMLDEDLE-GXFFZTMASA-N 346.805 4.048 0 40 EIAB CC1CCC(NC(=O)CNc2ccc(SC(F)F)cc2)CC1 36396162 UVYQMTBVLATFTO-UHFFFAOYSA-N 328.428 4.108 0 40 EIAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC#Cc1ccccc1 44688269 YXJKVTJQNUFBEF-OUKQBFOZSA-N 346.817 4.069 0 40 EIAB Cc1nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)oc1C 47558387 JRXSVQUMMDNTAY-UHFFFAOYSA-N 346.239 4.032 0 40 EIAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n[nH]2)cc1 51315549 GLDONLQPYBNWDH-UHFFFAOYSA-N 335.407 4.461 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccccc2Cl)[nH]n1 57412199 UPBRAWAHAQYMJU-UHFFFAOYSA-N 337.810 4.471 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1 59351774 VHVBYCXOARGVKO-RDJZCZTQSA-N 327.424 4.038 0 40 EIAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3nccs3)oc12 67339985 DLJMFLBTAYQDIE-NSCUHMNNSA-N 334.784 4.203 0 40 EIAB Cc1noc(C)c1CN(C)[C@H](c1cccnc1)c1ccc(F)cc1F 69893280 GKJDZEBMJLHSLA-LJQANCHMSA-N 343.377 4.186 0 40 EIAB CC(C)(C)c1csc(NC(=O)C2(c3ccccc3)CCOCC2)n1 71285487 IPGDCPHFLLYSMH-UHFFFAOYSA-N 344.480 4.128 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl 72331796 ZDFOIUMEQRTKPK-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)N3[C@H]4CCCC[C@@H]4C[C@H]3C)cc2)o1 83575441 UKISCLLGHDCSJC-VMGRFDJRSA-N 340.427 4.230 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1ccccc1Cl 84736170 HTSGLJDFMSEAQY-IYOUNJFTSA-N 334.891 4.028 0 40 EIAB CCCc1cc(N[C@H](C)c2oc3ccccc3c2C)n2ncnc2n1 84758980 LSWSGLZLSCDZLS-CYBMUJFWSA-N 335.411 4.305 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C(F)(F)F)cc2)C1 89223605 OIVXEIUEPLVSTB-GFCCVEGCSA-N 344.377 4.374 0 40 EIAB Cc1nc(CNC(=O)Nc2ccccn2)oc1-c1ccc(Cl)cc1 89558509 SCJMCLJNGNROJI-UHFFFAOYSA-N 342.786 4.020 0 40 EIAB Cc1ccc(OC(F)F)c(CNc2ccc(N3CCOC3=O)cc2)c1 89616568 TUAWZKKZBAAYIZ-UHFFFAOYSA-N 348.349 4.165 0 40 EIAB CC(C)Oc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1F 95422042 FNBUPEJHUUWKNZ-JBEBIEQOSA-N 349.471 4.201 0 40 EIAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Cc2ccc(F)cc2)cc1 95917831 YQWDJFDYAUQTHO-UHFFFAOYSA-N 343.398 4.276 0 40 EIAB FC1=CCCN(Cc2cc3ccccc3nc2N2CCCCC2)C1 96003653 LTFNQNIFYOPVCG-UHFFFAOYSA-N 325.431 4.284 0 40 EIAB Cc1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423024 UOYRWPIMYBCOKG-PMACEKPBSA-N 349.478 4.312 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]1C2 100768209 HYKBGASCLFWFJV-MEDUHNTESA-N 325.330 4.039 0 40 EIAB CN1CCO[C@@]12CC[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]1C2 118936562 ZCHJSKRKWQBWAB-RVDICAHYSA-N 347.543 4.048 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1Cl 222573544 MSKWFJYUNUUKEK-AWEZNQCLSA-N 343.854 4.303 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223207169 YFSZSOZIIBTLDY-KRWDZBQOSA-N 337.463 4.357 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccccc2F)ccc1OCC 224704977 FTGNCIBVRLTCHU-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225117620 LQENPFFBBPGMFY-IBGZPJMESA-N 342.435 4.376 0 40 EIAB CC1CCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1 225596759 GAGQDRQUTDSWJY-UHFFFAOYSA-N 344.499 4.316 0 40 EIAB Cc1ccc(CCC(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1C 225654983 OFUUGRLFLLSFQB-LJQANCHMSA-N 339.479 4.437 0 40 EIAB CSc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226042126 FOTKMTUZSZPCBO-UHFFFAOYSA-N 345.807 4.421 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226356332 BHBAWRUWXVMREL-UHFFFAOYSA-N 335.359 4.460 0 40 EIAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccsc3)C2)n1 257248742 JEZQDUFVHKJUIA-HNNXBMFYSA-N 325.437 4.096 0 40 EIAB CC(C)(C)c1cnc(CCC(=O)Nc2cccc3ccc(O)cc23)o1 282594064 FGHKAAAJZQVWPV-UHFFFAOYSA-N 338.407 4.402 0 40 EIAB FC(F)(F)[C@@H](NCc1nc(C2CC2)no1)c1cccc2ccccc12 390834322 WFRBFWXGLVTYJW-INIZCTEOSA-N 347.340 4.493 0 40 EIAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1Cl 408526741 ATTZVQXEBRYXHQ-UHFFFAOYSA-N 328.730 4.155 0 40 EIAB Cc1cc(C)cc(NCN2C(=O)c3cccc4cccc(c34)C2=O)c1 408723880 XZLVODUPAYVUBZ-UHFFFAOYSA-N 330.387 4.122 0 40 EIAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2)S1 408806034 AEZTYYDWEGGPEL-UHFFFAOYSA-N 345.831 4.112 0 40 EIAB CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)N(C)C1=S 409031110 GOZNFCOVCAVJEI-UVTDQMKNSA-N 346.839 4.020 0 40 EIAB Cc1cccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1 526052467 QMJUSGDFGPDMQC-QGZVFWFLSA-N 335.407 4.172 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c(C)o1 575621462 XDFFNGUVFZFSLV-UHFFFAOYSA-N 335.407 4.349 0 40 EIAB C[C@H](c1ccccc1)N1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 585099675 WBBARXKFNPVNHN-XMSQKQJNSA-N 340.511 4.252 0 40 EIAB O=C(c1c(F)cccc1Cl)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148958 NDYNOYIVEGJCGW-AWEZNQCLSA-N 345.801 4.044 0 40 EIAB O[C@](CNc1nc2ccccc2o1)(c1ccsc1)c1cccs1 1775970112 BRTIQPREVFGEJP-QGZVFWFLSA-N 342.445 4.299 0 40 EIAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccco1 490792 DYKCZLJVTLXZCR-UHFFFAOYSA-N 332.311 4.272 0 40 EIAB biogenic CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1cc(C)ccc1C)C2 1369845 INQLBNYVUUSPRY-QZTJIDSGSA-N 345.556 4.385 0 40 EIAB COc1cc(NCCCCCN[C@H](C)C(C)C)c2ncccc2c1 1687534 NJMNDZQLXMFXEA-MRXNPFEDSA-N 329.488 4.460 0 40 EIAB CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cccc(C)c3nc21 2605489 ALCWIJHSRDYQPX-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB COc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2C(C)C)cc1 3283145 BQIBWGFTWLKPKT-UHFFFAOYSA-N 347.484 4.242 0 40 EIAB Cc1cccc(CSc2nnc3ccc(-c4cccs4)nn23)c1 4376844 NXYWQOGCLSYLNO-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccccc2Cl)N1 4860279 RLRQKICTBZKWCL-BOPFTXTBSA-N 326.827 4.244 0 40 EIAB Cc1cccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 5320102 QDMPTJMIBKUZQC-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB COc1ccccc1/C=C/c1nn2c(-c3cccc(C)c3)nnc2s1 5347156 GQEKOWRIGMDSHC-ZHACJKMWSA-N 348.431 4.340 0 40 EIAB CCOc1ccccc1NC(=O)COc1ccc(Cl)c(CC)c1 5347280 PKCLBOZIQIBBFV-UHFFFAOYSA-N 333.815 4.319 0 40 EIAB CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC 6617512 AHGUAXOFYXDFSN-UHFFFAOYSA-N 343.467 4.183 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1 6649111 UGIBBYGKAXRBPX-UHFFFAOYSA-N 329.787 4.012 0 40 EIAB Clc1ccc(-c2noc(CN3CCCc4ccccc43)n2)cc1 7115065 RGSONSOUEWGOOC-UHFFFAOYSA-N 325.799 4.343 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 7223374 YCIYZXVKMDIMDU-JTQLQIEISA-N 339.222 4.441 0 40 EIAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 7391818 XRIMAHDPCZRGCK-NSHDSACASA-N 348.855 4.159 0 40 EIAB Cc1nnc(SCC(=O)c2cc3cc(Cl)ccc3o2)n1C1CC1 8231863 MGIYJVCFMDGCSR-UHFFFAOYSA-N 347.827 4.296 0 40 EIAB CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1C1CC1 8327883 VNVBABYSSXQBEO-SECBINFHSA-N 347.469 4.140 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3ccccc3c2)c1 8355022 RIKTWDKQQZPSPG-AWEZNQCLSA-N 335.403 4.348 0 40 EIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(C)c1C 8984167 ZTOBSFMYENHVQO-UHFFFAOYSA-N 328.437 4.274 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1nc2ccccc2s1 9087565 YHCYRSIQRHIXTI-UHFFFAOYSA-N 334.400 4.467 0 40 EIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 9366645 YAVXQUYTJFZWJI-UHFFFAOYSA-N 348.805 4.213 0 40 EIAB Cc1cc(C)c(NC(=O)c2cc(=O)c3ccccc3o2)c(Cl)c1 9456145 CWACQOPNPKBGTO-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1ccc2cc(CNC(=O)N[C@H](C)c3ccccc3)ccc2c1 10495543 RJCNKNMWWFVDFB-OAHLLOKOSA-N 334.419 4.409 0 40 EIAB CCc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 12680876 VIVRBKFRWVMISC-UHFFFAOYSA-N 334.375 4.347 0 40 EIAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccncc2)cc1C 12740959 XBNNKGYGLAJRQV-UHFFFAOYSA-N 335.432 4.497 0 40 EIAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1COc2ccccc2C1 12922528 HXGBDVCASORPGE-LBPRGKRZSA-N 335.375 4.191 0 40 EIAB CC(C)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 13005004 HSPPEKNEFBTRPB-UHFFFAOYSA-N 328.359 4.347 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)COc2cccc(C)c2C)cc1 13010545 DHERCAZVYDMJJX-LJQANCHMSA-N 339.435 4.055 0 40 EIAB C/C=C/c1ccc(OCC(=O)N[C@H](C)c2cccs2)c(OC)c1 14124113 CZPLHIDARSUYOC-DIECRNLCSA-N 331.437 4.046 0 40 EIAB CCN(Cc1cccc(C)c1)Cc1nc(O)c2ccc(Cl)cc2n1 14185278 JVEMJHNUKBUQKG-UHFFFAOYSA-N 341.842 4.319 0 40 EIAB COc1cc(CCC(=O)Nc2ccc(Cl)cc2F)cc(OC)c1 15581070 AZECKCYXUIZHBZ-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=O)CC(C)(C)C2 16740301 ZEFKPYRVKIUOIC-UHFFFAOYSA-N 325.408 4.015 0 40 EIAB CCn1c2ccccc2c2cc(CN3CCN(C(C)C)CC3)ccc21 19889665 GPFSRFLCYZOUGL-UHFFFAOYSA-N 335.495 4.340 0 40 EIAB Cc1ccn2c(NC(=O)Cc3ccccc3)c(-c3ccccc3)nc2c1 19898835 IJLPOPRZQUJLSO-UHFFFAOYSA-N 341.414 4.491 0 40 EIAB CC(C)C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 23054126 YDKYQZFVOZJGSP-NRFANRHFSA-N 347.462 4.318 0 40 EIAB O=C1c2ccccc2[C@H](NCc2cccs2)N1C1CCCCC1 23234601 AUPLZBORWJEQIZ-GOSISDBHSA-N 326.465 4.325 0 40 EIAB Cc1ccc([C@@H](NC(=O)[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1 23683814 LZMLYMKRCLFSMF-HOTGVXAUSA-N 334.246 4.394 0 40 EIAB O=C(c1cccc2cn[nH]c12)N1CCC[C@H]1c1nc2ccccc2s1 24584958 BAGGELSAXUBTQA-HNNXBMFYSA-N 348.431 4.150 0 40 EIAB Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 27581288 SYJIIRMUXINVCN-IBGZPJMESA-N 342.870 4.215 0 40 EIAB CN1CCN(C(=O)c2cc3ccccc3s2)[C@H](c2ccccc2)C1 30029887 BYHZXLKMNZTBPA-KRWDZBQOSA-N 336.460 4.030 0 40 EIAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 30853631 KCMOQAALEAMFEL-AWEZNQCLSA-N 340.423 4.174 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc3cn[nH]c23)cc1 32754589 PWWRYJJEQXLRLY-LJQANCHMSA-N 349.434 4.329 0 40 EIAB CN(CCCNc1nc(=S)[nH]c2ccccc12)Cc1ccccc1 34861115 GPIYZTHSVVSFBY-UHFFFAOYSA-N 338.480 4.226 0 40 EIAB O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1Br 40111360 UHNPCKFYADZYEI-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB COC(=O)c1cccc2c1CCCN2Cc1ncc(-c2ccccc2)o1 40154551 HFCNOOIGBSDBFV-UHFFFAOYSA-N 348.402 4.081 0 40 EIAB NC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 44259527 MNCMRZYRURPMMJ-DUXPYHPUSA-N 349.230 4.483 0 40 EIAB CN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 44910213 UKBCOMFATOWYLQ-KRWDZBQOSA-N 342.870 4.215 0 40 EIAB Cc1cc2nc(N)sc2c(C)c1NC(=O)Cc1ccc(Cl)cc1 45888396 FFKATUDTMLXOAU-UHFFFAOYSA-N 345.855 4.330 0 40 EIAB O=C(Nc1ccncc1)c1cc2ccccc2n1Cc1ccccc1F 58358109 IBTBEZMADOFLPC-UHFFFAOYSA-N 345.377 4.476 0 40 EIAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 63848939 WDVIDBOYSKSJJQ-UHFFFAOYSA-N 341.407 4.318 0 40 EIAB CN(Cc1ccc(O)cc1)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 65568017 PATLICLNWUMZTD-UHFFFAOYSA-N 336.435 4.443 0 40 EIAB CC(C)Oc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72211895 CTDAEPBHMRTHGQ-GOSISDBHSA-N 340.423 4.343 0 40 EIAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 72227805 VHVHUQAUFCRSCE-KGLIPLIRSA-N 341.625 4.062 0 40 EIAB CCc1nccn1-c1cccc([C@@H]2CCCN(C3CCCCC3)C2)n1 72379143 DCPGEWMQOIZPSS-QGZVFWFLSA-N 338.499 4.342 0 40 EIAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1 78848869 GCDRXYGDMAFIPV-IFXJQAMLSA-N 343.471 4.309 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)nn1C 79360291 MOOOPBTVCIMPJD-HNNXBMFYSA-N 335.407 4.121 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2[nH]ccc2c1 79481233 TYDDQMKXSHSJEM-UHFFFAOYSA-N 331.375 4.394 0 40 EIAB Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 81000272 OFCGXLRXCRPVCZ-DLBZAZTESA-N 348.450 4.000 0 40 EIAB COCCc1noc(-c2cc(C3CC3)nc3ccc(Cl)cc23)n1 83912012 AXLMLKAKHIVMME-UHFFFAOYSA-N 329.787 4.005 0 40 EIAB O[C@@H]1COc2c(F)ccc(F)c2[C@H]1Sc1ccc(Cl)cc1 85221450 XYALFOHXBMXTOG-DOMZBBRYSA-N 328.767 4.205 0 40 EIAB C[C@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)c2ccccc2S1 89824725 IZTKFIDZDBWFKU-AAEUAGOBSA-N 346.477 4.136 0 40 EIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCC[C@@H]2c2cccs2)cc1 95351116 LQHAXQKJRFKEHW-CXAGYDPISA-N 342.464 4.115 0 40 EIAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CCc2ccsc2)c1 96410181 AZHNLLRHVXMADI-SFHVURJKSA-N 328.481 4.110 0 40 EIAB Cc1ccc(-c2ccc(C(=O)N(C(C)C)C3CCOCC3)s2)o1 97237758 HPDSQRXZAOXSMI-UHFFFAOYSA-N 333.453 4.346 0 40 EIAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1ccc(C(C)C)cc1 100137646 XUUSQXHHNMZMRR-UHFFFAOYSA-N 346.434 4.477 0 40 EIAB CC(=O)O[C@@H]1C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3CC[C@@H]2C1 118926215 UHKAWYVFEDUNRA-SGIOEENZSA-N 346.511 4.488 0 40 EIAB COc1ccc2c(c1)N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@@H]2C 223233805 FBLIQGNAEKXBQQ-LBPRGKRZSA-N 329.396 4.279 0 40 EIAB S=C(Nc1ccc(Sc2ccccc2)nc1)NC1CCCC1 224035762 CFOZWLYQQDTPEK-UHFFFAOYSA-N 329.494 4.462 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 224069847 BOQNNWQRQBKCJO-NSHDSACASA-N 328.318 4.111 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)c(C)c1 225305793 YOIWPBZBIJCEHQ-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 225468370 GRINLDSUFRZTJI-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB COc1cc2ccn(-c3cc(N)cc(C(F)(F)F)c3)c2cc1OC 228925470 KWJDABJDMSXWNN-UHFFFAOYSA-N 336.313 4.249 0 40 EIAB O=C(O)c1ccccc1-c1ccc(CN2CCc3ccccc3C2)nc1 257305586 SQQFAWCBDBZOHE-UHFFFAOYSA-N 344.414 4.005 0 40 EIAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 392295885 RUACDXQHTDKPGQ-UHFFFAOYSA-N 332.355 4.481 0 40 EIAB COc1ccc(OCCCC(=O)Nc2cccc(OC(C)C)c2)cc1 408702352 DPIDXDKDWPNGOE-UHFFFAOYSA-N 343.423 4.280 0 40 EIAB CCOc1c(Cl)cc(-c2noc(C(C)(C)C3CC3)n2)cc1OC 567395515 QPFAIAAAENWFNO-UHFFFAOYSA-N 336.819 4.485 0 40 EIAB Cc1ccc(-c2csc(CN3[C@@H](C)[C@H](C(=O)O)CC[C@H]3C)n2)cc1 1616043991 DIEPRWCUSIMWRU-IJEWVQPXSA-N 344.480 4.192 0 40 EIAB Brc1ccc2ncnc(NCCCc3ccccc3)c2c1 1649990623 RQADZHYAGXTPNR-UHFFFAOYSA-N 342.240 4.437 0 40 EIAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775968657 JKRROWWWAZAJGX-CQSZACIVSA-N 342.420 4.172 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c1 1776000901 PBHHOXFDFVXPQU-QGZVFWFLSA-N 339.439 4.021 0 40 EIAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(OC)cc3)c(O)cc12 49359 OVYSTDDIGQCTPO-UHFFFAOYSA-N 339.391 4.045 0 40 EIAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C 71581 WXGJOLNZMYBFOH-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1cccs1 367655 AOFXTSBZMSRCCB-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 374231 NOQRPVPCNSDEOQ-UHFFFAOYSA-N 337.345 4.035 0 40 EIAB COc1ccc(OC)c(-c2nc3ccccn3c2NC2CCCC2)c1 881968 YYNQBCONZZZJLY-UHFFFAOYSA-N 337.423 4.373 0 40 EIAB O=C(c1ccc(C2OCCCO2)cc1)c1ccccc1C(F)(F)F 2517969 QBDASSDHEKUPOU-UHFFFAOYSA-N 336.309 4.372 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 3403038 JQZRXTOWQTWDJF-UHFFFAOYSA-N 325.286 4.236 0 40 EIAB Cc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 4086587 PYCBHLJVFAFOOE-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB COc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2cccnc2)c1 5347893 JHJLVZBBMONDSZ-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 5682199 RHZVYFJJRYCVMK-UZLBHIALSA-N 339.435 4.307 0 40 EIAB CCc1cccc(C)c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1 5836799 YDARBTWNOXKQKP-SFHVURJKSA-N 339.435 4.233 0 40 EIAB O=C(NCc1ccccn1)c1ccccc1SCc1ccccc1 5899733 GMNGDAWBPMKJBC-UHFFFAOYSA-N 334.444 4.304 0 40 EIAB Cc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6430086 FBCMUERAPIIQAX-UHFFFAOYSA-N 341.451 4.083 0 40 EIAB CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 6553527 UHCDKPXVBRCWHP-GOSISDBHSA-N 345.826 4.238 0 40 EIAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(F)cc2)cc1 7007699 XFKSPOBINWSOIT-UHFFFAOYSA-N 329.371 4.072 0 40 EIAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112638 YAAAPDNMWMWANM-FQEVSTJZSA-N 348.402 4.445 0 40 EIAB CCOc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1 7368301 PHGKDTIKRXVRQD-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccccc12 8012158 SLLZSPSLLODUMM-UHFFFAOYSA-N 348.446 4.267 0 40 EIAB Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1C 8312806 SZXLHASJTDYVNC-UHFFFAOYSA-N 331.799 4.370 0 40 EIAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063394 VNUWQBIMRQQRGB-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB Cc1ccc(Cl)c(NC(=O)CN(C)Cc2ccccc2)c1Cl 9155529 XQETZAUXEBOHNY-UHFFFAOYSA-N 337.250 4.372 0 40 EIAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C 9307698 UHXYDVLILPZPHP-UHFFFAOYSA-N 328.456 4.011 0 40 EIAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1Cl 10281382 KYLLVOVFYKMJOP-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB CCOc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Cl 11566482 SMFMWCSGAAWXLH-UHFFFAOYSA-N 347.908 4.232 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(Br)c1 12620242 ALIMUZQVOPZDPM-LXKVQUBZSA-N 342.236 4.440 0 40 EIAB Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 12655508 CWEKHXSSQMBRHH-NDJIEACQSA-N 327.468 4.320 0 40 EIAB biogenic CC(C)n1ncc2cc(C(=O)Oc3ccc4ccccc4c3)cnc21 12821333 PAMSSTFSUZPVLL-UHFFFAOYSA-N 331.375 4.385 0 40 EIAB COc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 13075283 WYHVIYUDSZPQBD-JLHYYAGUSA-N 338.794 4.003 0 40 EIAB Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2Cl)no1 13494884 SHRNPXXYECTCEH-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB ClC1(Cl)C[C@H]1CSc1nc(NC2CC2)c2ccccc2n1 14854456 SNUUNOIIBYJYLY-VIFPVBQESA-N 340.279 4.490 0 40 EIAB CSc1ccc(Cl)c(C(=O)NCc2ccc(CN(C)C)cc2)c1 15140300 IHRPPAQSCBLBNU-UHFFFAOYSA-N 348.899 4.054 0 40 EIAB CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC 19736221 PQNXZLVDNHWBCB-UHFFFAOYSA-N 328.412 4.099 0 40 EIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(C)c1 20137462 ZAYFDBGPAYMOSV-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20142133 MAXUYJWQUFRZKC-LLVKDONJSA-N 347.798 4.468 0 40 EIAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 21960614 AZKQXCNQNSUKFY-AWEZNQCLSA-N 338.382 4.291 0 40 EIAB Cc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 23118449 WOAWTXXJUFBYET-UHFFFAOYSA-N 334.423 4.450 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc2c(F)cccc2s1)c1ccsc1 23133009 LQPFTNCEMBYQTA-CQSZACIVSA-N 348.468 4.135 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ncccn12 27015398 HYQJAUIBMNPCCP-OUKQBFOZSA-N 340.386 4.048 0 40 EIAB CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2C)C1 40103633 NZQYOUUPAWBYSU-GFCCVEGCSA-N 325.250 4.411 0 40 EIAB O=C(NCCCCN1CCCC1)Nc1ccc(OC2CCCC2)cc1 40120623 BYPPAOVDVZJZDZ-UHFFFAOYSA-N 345.487 4.006 0 40 EIAB Cc1c(C(=O)N(Cc2ccc(F)cc2)C2CC2)oc2c1C(=O)CCC2 40131558 HBKPBYZUKYWFJS-UHFFFAOYSA-N 341.382 4.051 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1cccc(F)c1 40160053 UCQUJBCMVQNMEX-NSHDSACASA-N 337.826 4.131 0 40 EIAB O=C(NC1CCCCCC1)c1cccnc1Nc1cccc(F)c1 44821276 TVTACUOVUFAHGP-UHFFFAOYSA-N 327.403 4.417 0 40 EIAB O=C(NCc1ccccc1F)c1cc(-c2cccc3ccccc23)[nH]n1 44839235 ZOMLTVNAXVJFRL-UHFFFAOYSA-N 345.377 4.299 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NC3CCCCCCC3)cs2)o1 48229649 SCHQOGPQHAVXGF-UHFFFAOYSA-N 332.469 4.483 0 40 EIAB COc1ccc([C@@H]2CCCCCN2Cc2nnsc2Cl)cc1 48368068 AJYQAXZRIXWPRY-HNNXBMFYSA-N 337.876 4.317 0 40 EIAB O=C(Nc1cccc2cnccc12)N(Cc1cccc(O)c1)C1CC1 58342642 DTHLFOAFDJTKHL-UHFFFAOYSA-N 333.391 4.137 0 40 EIAB O=C(C[C@@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1 69418813 MTLTXPLGBZDJDF-CABCVRRESA-N 333.478 4.177 0 40 EIAB C[C@@H](NCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 69699923 DLTFKNQJOLAFNQ-GOSISDBHSA-N 344.458 4.243 0 40 EIAB O=C(Cc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)cs1 72260052 OVEZRQGYVZDSHJ-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB Cc1ccc2c(ccn2CC(=O)Nc2nc(-c3cccnc3)cs2)c1 72405107 YZDFXOGIVUTEFX-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB CC(C)Oc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccccc2F)cc1 73924083 WXZZWUPCXLOSMK-OALUTQOASA-N 341.426 4.075 0 40 EIAB CC[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)c1c(C)noc1C 75126585 DXASUEVVTHVCGN-CYBMUJFWSA-N 343.452 4.053 0 40 EIAB Cc1cccc(C)c1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 76018954 XWJHBOWCUQAUBN-QGZVFWFLSA-N 326.396 4.115 0 40 EIAB C[C@@H](NC(=O)CSc1ccncc1)c1ccc(-c2cccnc2)cc1 78985793 LPVOTKAGIFKDLI-OAHLLOKOSA-N 349.459 4.113 0 40 EIAB CC(C)n1cc(CCCC(=O)NCC2CCOCC2)c2ccccc21 79192893 ANIUDCJDPIYXSG-UHFFFAOYSA-N 342.483 4.088 0 40 EIAB biogenic O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 96407215 DPRPQJGLCNGKOX-HZPDHXFCSA-N 349.421 4.019 0 40 EIAB Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)noc2C)o1 96414207 RWGCQZODXDJSOX-KRWDZBQOSA-N 330.428 4.269 0 40 EIAB COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 100742853 WSCCZHJZVDZUSC-GJPLELSBSA-N 344.451 4.164 0 40 EIAB CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118926641 XKGLMCHEWAJRKU-PQCYQFCNSA-N 331.500 4.103 0 40 EIAB CCc1cc(-c2ccc(/C=C\C(N)=O)o2)cc(C)c1Br 208757572 VHWRIWADGFDSPP-ALCCZGGFSA-N 334.213 4.078 0 40 EIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c(C)c1 222579237 NNISTLMOZTVRQV-UHFFFAOYSA-N 335.382 4.460 0 40 EIAB Cc1ccc(SCCNC(=O)COc2ccccc2C(C)C)cc1 222804620 RIKQFFCYCOBSIK-UHFFFAOYSA-N 343.492 4.406 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2ccccc2Cl)cc1 223399150 KVMUHQSJOOPYOQ-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1 224694529 FTIODHAZSWMMBL-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881406 AMLGDVTVPGKXQB-GFCCVEGCSA-N 339.313 4.300 0 40 EIAB CCOc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1 225108018 GEKODLNWBSEJLA-FQEVSTJZSA-N 336.387 4.313 0 40 EIAB CCOC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225648338 PYRIAWVDWZVTKD-UHFFFAOYSA-N 327.424 4.328 0 40 EIAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)CC[C@H]43)[C@@H]1CC[C@]21CCC(=O)O1 263600187 JSXFOYUNEYPEME-ICTGXQIRSA-N 330.468 4.284 0 40 EIAB CC[C@H](C)[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 331815406 OLKMCJIHRDQONS-HUBLWGQQSA-N 335.398 4.202 0 40 EIAB c1cc([C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)n2ccnc2c1 585182574 UCWUNHNDSWOZEE-SFHVURJKSA-N 330.435 4.195 0 40 EIAB CCN(C1CCCC1)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615190270 FSKVDLVRRNMWFD-NRFANRHFSA-N 342.527 4.469 0 40 EIAB CC[C@@H](C(=O)NCc1ccc(-c2c(C)noc2C)o1)c1ccccc1 1889191957 AEKTTXLUQCNLSW-QGZVFWFLSA-N 338.407 4.361 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)O[C@H]2CC(=O)c2ccccc2)cc1 33016 DSJYREJJQJAMCB-INIZCTEOSA-N 341.794 4.056 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 327263 AUKKBHOKTOLYRX-UHFFFAOYSA-N 327.855 4.364 0 40 EIAB Cc1cccc(-n2ncc3c(Nc4ccc(C)c(C)c4)ncnc32)c1 426387 YZDUEVIZHLBYCV-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB CC(=O)[C@@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 525491 KUKCACBWHWHYFT-OAHLLOKOSA-N 336.387 4.049 0 40 EIAB CC(=O)Oc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1 813375 YWLPLYMUDUAYAV-UHFFFAOYSA-N 325.393 4.182 0 40 EIAB CCc1cc(CC)c(CC)c(C(=O)OCCN(CC)CC)c1CC 1646513 HDCHIMYXKIZTCQ-UHFFFAOYSA-N 333.516 4.435 0 40 EIAB CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 1770690 QVBMJMVZBSVZKQ-JTQLQIEISA-N 325.430 4.008 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)o1 3413790 RPHOAVIIDUGAIS-UHFFFAOYSA-N 342.620 4.276 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 7612337 YYNUFIUTPUSMIC-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 7985177 YHCDUBICOFIDPD-INIZCTEOSA-N 340.467 4.278 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)Cc2c[nH]c3ccccc23)c1 7990121 YYJRMEMMLKSVPP-UHFFFAOYSA-N 338.407 4.147 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 9503648 GJRWVUYCVLUMHW-GOSISDBHSA-N 340.423 4.381 0 40 EIAB Cn1ccnc1[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 9512961 XHAKFTAQRRHHPN-FQEVSTJZSA-N 341.414 4.093 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2c1[C@H](O)CC(C)(C)C2 9548035 OEMIEJGRCQUFGF-UKRRQHHQSA-N 327.424 4.085 0 40 EIAB Cc1noc(C)c1C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 9690452 FTISNOKFZZPBLF-ZCFIWIBFSA-N 331.174 4.228 0 40 EIAB O=C(CCc1ccco1)Nc1ccc2nc(N3CCCC3)sc2c1 10580402 DQSCJDBGPLXAHB-UHFFFAOYSA-N 341.436 4.061 0 40 EIAB Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccc[nH]2)o1 10796871 RNVSBQVJKUBWMN-UHFFFAOYSA-N 338.392 4.320 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)c1c(F)cccc1Cl 12235383 YGBFWBRZDCQWDA-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12560048 LQCJCFMHYGWQHJ-INIZCTEOSA-N 325.799 4.194 0 40 EIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(Cl)c1 13063275 WOLWFJZQOQNREZ-NSHDSACASA-N 335.234 4.383 0 40 EIAB Cc1ccc2nc3c(c(C(=O)Nc4ncc(C)s4)c2c1)CCCC3 14661810 YRRQBLFDCFUWIV-UHFFFAOYSA-N 337.448 4.439 0 40 EIAB O=C(CCc1ccco1)Nc1cc(Cl)ccc1N1CCCCC1 15326811 VGMYCPPFMDGFQK-UHFFFAOYSA-N 332.831 4.495 0 40 EIAB Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc(C(C)C)n1 16454266 VHAWXFYBCVGCLE-GJZGRUSLSA-N 343.496 4.266 0 40 EIAB COc1ccc(-c2c[n+](Cc3ccc(Cl)cc3)c3n2CCC3)cc1 16956161 WRRPNXMNYDTYNZ-UHFFFAOYSA-N 339.846 4.099 0 40 EIAB O=C(CSc1cc(Cl)ccc1Cl)c1ccc(O)cc1O 18333583 BCQMMCPMZTUAFB-UHFFFAOYSA-N 329.204 4.380 0 40 EIAB C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1 20312664 RRGVCYTYQVAYDT-XOBRGWDASA-N 325.383 4.297 0 40 EIAB COc1cc(F)ccc1NC(=O)CCCc1c[nH]c2ccccc12 25309713 VVPIIVWOZGZAOC-UHFFFAOYSA-N 326.371 4.277 0 40 EIAB COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 25692636 NPEUOOJCDCSIKQ-CABCVRRESA-N 337.423 4.465 0 40 EIAB Cc1ccc(OCc2nc(C)c(C(=O)NC3CCCC3)s2)cc1 26856321 LBPOZGFHGRQVPC-UHFFFAOYSA-N 330.453 4.011 0 40 EIAB C[C@@H]1CCCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 36612835 DIIZBRZLGLREGX-SNVBAGLBSA-N 327.375 4.460 0 40 EIAB COc1ccc(C2(CNC(=O)NCc3cccs3)CCCC2)cc1 38489711 FCCJAJLZLQAGST-UHFFFAOYSA-N 344.480 4.068 0 40 EIAB O=C(Cc1ccc(F)cc1)N(Cc1c(F)cccc1Cl)C1CC1 39992640 DFKHSFLJIJCEGK-UHFFFAOYSA-N 335.781 4.352 0 40 EIAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC2(C)C)cc1 45932708 AZAOISCXWUJROW-UHFFFAOYSA-N 340.423 4.143 0 40 EIAB Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)nn1C(C)(C)C 48252363 RSSGOPQIJQDLTE-UHFFFAOYSA-N 338.411 4.217 0 40 EIAB CCOc1ccc(-c2nc(C)c(C(=O)NC(C)(C)CC)s2)cc1 65403675 DXKSWOUEWAFWIU-UHFFFAOYSA-N 332.469 4.436 0 40 EIAB COCc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 69743918 BJUUVNMAYOPGNK-HXUWFJFHSA-N 347.418 4.139 0 40 EIAB CCN(C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72212711 PWAHZEUKGNUMSA-SFHVURJKSA-N 339.439 4.011 0 40 EIAB CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215336 KIYWEFBRPYUKRE-INIZCTEOSA-N 331.460 4.142 0 40 EIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(C)cc4)C3)n2)c1 72369866 DHDWGTMSHGPINJ-GOSISDBHSA-N 349.434 4.043 0 40 EIAB O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@H](c1nccs1)C1CC1 76040955 POZOFQDTJPJKOZ-INIZCTEOSA-N 345.855 4.088 0 40 EIAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(F)c1 79072097 VEKUYXZXJWSZDD-QGZVFWFLSA-N 327.403 4.088 0 40 EIAB CC(C)NC(=S)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 84620666 YSJIBNGIBBCZIM-INIZCTEOSA-N 336.863 4.441 0 40 EIAB O=C(O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21 84652549 BBVWWGFWXDRCJF-UHFFFAOYSA-N 332.812 4.067 0 40 EIAB CSc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1 85651647 XBTMPSXFNJDSPJ-UHFFFAOYSA-N 343.517 4.188 0 40 EIAB FC(F)(F)c1cccc([C@@H](NC2CCN(C3CC3)CC2)C2CC2)c1 91268679 MOUVVLCIJITKCC-SFHVURJKSA-N 338.417 4.373 0 40 EIAB Cc1nc(N2CCC[C@@H]2c2ncc[nH]2)c2c(CC(C)C)csc2n1 95467580 HZQCZZOHXQRYDB-CQSZACIVSA-N 341.484 4.263 0 40 EIAB CC(C)(C)c1cc(N2CCC[C@H]2c2ncc[nH]2)nc(C(C)(C)C)n1 95467583 KKJAQIDHHCQNGD-ZDUSSCGKSA-N 327.476 4.136 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1S2)c1ccccc1 96231246 WUKDLVDNOZKQFA-UHFFFAOYSA-N 347.399 4.051 0 40 EIAB O=C(CC1CCSCC1)N(Cc1ccccc1F)c1ccncc1 97228144 BGNDNHJWHJKOKD-UHFFFAOYSA-N 344.455 4.287 0 40 EIAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@@H]2CCCC[C@@H]21 105934378 UIQMSGQVYZXARC-YESZJQIVSA-N 332.513 4.066 0 40 EIAB Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)o1 107752080 WRVXBSFJSCWAGD-RTWAWAEBSA-N 347.499 4.166 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(C)c(C)c1 219504007 ONUOKXAQXNKTTM-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB COc1ccc([C@@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1 222547489 GKOGTZXPAJJIHA-HNNXBMFYSA-N 336.222 4.226 0 40 EIAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COC(C)C 224423312 RLOUXFJFPOJWNA-UHFFFAOYSA-N 327.424 4.489 0 40 EIAB COc1cc(CNC(=O)c2ccc(C)cc2Cl)ccc1OC(C)C 225000809 DXRJOMVHTCTWQB-UHFFFAOYSA-N 347.842 4.374 0 40 EIAB S=C(Nc1ccc(Oc2ccccc2)nn1)NC1CCCCCC1 225187254 NDPPHNVHLIGMCN-UHFFFAOYSA-N 342.468 4.278 0 40 EIAB C[C@@H](O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1 225687422 AUHPNBXAYJAUSZ-SECBINFHSA-N 344.263 4.081 0 40 EIAB COCCC1(NC(=S)Nc2cccc(C(F)(F)F)c2)CCCC1 225849604 WUKGSJSNGVLOAI-UHFFFAOYSA-N 346.418 4.341 0 40 EIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225884645 LZPUDLCEMWJRSZ-LJQANCHMSA-N 330.428 4.166 0 40 EIAB CCCCc1ccc(C(=O)[C@H](Br)CBr)cc1 382674237 JGLHXRJRFDHREX-GFCCVEGCSA-N 348.078 4.370 0 40 EIAB COc1ccc(-c2cc(C)nc(Sc3ccc(C=O)o3)n2)cc1 408558830 WLHVKKMKHMWLOP-UHFFFAOYSA-N 326.377 4.017 0 40 EIAB CC(C)C[C@@H](NC[C@@H](O)C(F)(F)F)c1cccc(C(F)(F)F)c1 545894528 CVFYDQSHNBKZLA-CHWSQXEVSA-N 343.311 4.305 0 40 EIAB CC(C)n1ncc2cc(N[C@H]3CC[C@@H](C)C[C@H]3n3cncn3)ccc21 1117713807 XTBOIIRLWYIQKY-DKSSEZFCSA-N 338.459 4.051 0 40 EIAB COC(=O)c1ncoc1C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 1615615943 UFPXLPZEXVUSNI-LBPRGKRZSA-N 348.830 4.055 0 40 EIAB CC(C)CC(=O)N[C@@H]1C[C@H](c2cc(F)ccc2F)O[C@@H]2CCC[C@@H]12 1848354360 SBHHKMODSVGVLC-OKDNKWQNSA-N 337.410 4.126 0 40 EIAB Cc1ccc2c(C)cc(SCC(=O)N3CCCCC3)nc2c1C 420770 AYFYUUOFXZWWBH-UHFFFAOYSA-N 328.481 4.265 0 40 EIAB Fc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 524718 WKQSGMGGJZRUNN-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB Cc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 524815 SCPISPPQCXWGRP-NTKDMRAZSA-N 347.395 4.081 0 40 EIAB CCOc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 559719 YVOXBZMXWSZBBY-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB COc1cc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O 818068 RZQUNHRYMHCUHO-HXUWFJFHSA-N 335.407 4.162 0 40 EIAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(F)cc5)nc4c23)C1 2789809 CKHVHAPCJMLQJT-SNVBAGLBSA-N 338.411 4.270 0 40 EIAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 2887813 SMAGDXJMGWXPSM-UHFFFAOYSA-N 337.448 4.093 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1F 3378209 SQDBVZCBICZGET-UHFFFAOYSA-N 326.293 4.204 0 40 EIAB N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc(Cl)c2)o1 5123762 XUHYYNSUNPETRN-HNNXBMFYSA-N 345.855 4.258 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 5814580 HDODFEWRKPPTLG-UHFFFAOYSA-N 331.415 4.471 0 40 EIAB CSc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1 6309810 YVEBMATVJCGDDZ-UHFFFAOYSA-N 341.263 4.383 0 40 EIAB Cc1noc(-c2ccc(O)cc2O)c1-c1ccc(Br)cc1 6757795 PEDJZSZHADDLMW-UHFFFAOYSA-N 346.180 4.491 0 40 EIAB biogenic CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)O 6960982 FRAWHDGSNLEKHG-KEBDBYFISA-N 347.798 4.261 0 40 EIAB c1ccc(-c2cnc(CSc3nnc(-c4ccco4)o3)o2)cc1 7564788 MIMGWYCOFPJBEJ-UHFFFAOYSA-N 325.349 4.277 0 40 EIAB O=c1oc(-c2cc3ccccc3o2)nc2ccc(Br)cc12 8188485 YMWYXASSYJQVRJ-UHFFFAOYSA-N 342.148 4.364 0 40 EIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc2cc(F)ccc2s1 8429627 IOKWRADOWHZMHH-UHFFFAOYSA-N 329.352 4.299 0 40 EIAB CC(C)C(=O)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 9418903 LLCPHIYYQDVNEY-UHFFFAOYSA-N 325.339 4.194 0 40 EIAB O=C(CSc1ccc2ccccc2c1)NC(=O)C1CCCCC1 10439934 PCYNCCAMDPYDTC-UHFFFAOYSA-N 327.449 4.155 0 40 EIAB Cc1ccsc1-c1nnc2sc(-c3cc(F)ccc3F)nn12 12322252 PMAOILOMHAAICB-UHFFFAOYSA-N 334.376 4.168 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc(C)cc(C)c1)O[C@@H](C)C2 12978460 USKSXKOBMYKFNM-AWEZNQCLSA-N 325.408 4.278 0 40 EIAB CCCOc1ccc(NC(=O)c2ccccc2OC)c2cccnc12 15840899 CYPNUTUWLPSXJH-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB Oc1nc(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 16777300 AUQVHFYZPPOMIG-UHFFFAOYSA-N 329.812 4.190 0 40 EIAB Cc1[nH]c2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2c1C 19054552 VXONMUARTJULGZ-UHFFFAOYSA-N 336.347 4.390 0 40 EIAB Clc1ccccc1-c1nnc(CN2CCCc3ccccc32)o1 21578263 IJJXHQDQRFNKQG-UHFFFAOYSA-N 325.799 4.343 0 40 EIAB CCCCCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 23076685 JPZANJVAQVZWAL-UHFFFAOYSA-N 326.444 4.190 0 40 EIAB CCCc1ccc(C(=O)NCC2(c3cccs3)CCOCC2)cc1 23238041 FWSIQEKYYLYGAN-UHFFFAOYSA-N 343.492 4.179 0 40 EIAB Cc1cc(C)c(C(=O)NCC2(c3cccs3)CCOCC2)c(C)c1 23238043 KXHOCXSFZZHDCQ-UHFFFAOYSA-N 343.492 4.152 0 40 EIAB Cc1csc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 24916129 QEBBDRLWQNAIDS-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CCSc2ccccc2F)c1C 25601350 IVHRFVLTQBAJFG-UHFFFAOYSA-N 346.427 4.213 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)NCCC1CCCCC1 31118012 CRCAIUWPWMZQQK-UHFFFAOYSA-N 342.508 4.363 0 40 EIAB CC(C)c1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 32502357 OMDSWUFPERYLSL-UHFFFAOYSA-N 331.372 4.313 0 40 EIAB CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 32800908 MNUDFXZGXPUDBB-NRMKIYEFSA-N 327.399 4.457 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(c2ccccc2)=NO1 33146375 DBCVZVYUEBUNMO-OAHLLOKOSA-N 335.190 4.125 0 40 EIAB CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1CCCCC1 36624723 FQAQBTQPBDFAEI-UHFFFAOYSA-N 336.435 4.499 0 40 EIAB CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2[nH]1 40288513 JLCSSXPIANEXIF-UHFFFAOYSA-N 332.407 4.349 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1cccc(OCc2cccnc2)c1 44396480 YYAMXRMANFAAGT-OAQYLSRUSA-N 344.414 4.078 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)cc1 44899732 IPCAEAVMAWXVAQ-NRFANRHFSA-N 349.430 4.322 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 44903841 DJHHDGCSKSDSOW-KXBFYZLASA-N 329.415 4.477 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 46642689 QWFNXRLAXSHBGT-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB O=c1cc(CN(Cc2ccccc2)C2CCCCC2)nc2ccccn12 54268925 CFGGNSLWIVHDCI-UHFFFAOYSA-N 347.462 4.029 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412502 VNJWGOZACLGBGM-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 58226612 BLDQDLSHJDHVDA-QGHHPUGFSA-N 332.831 4.316 0 40 EIAB CCCN(Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 58412070 QDCKNLCKXWVZTG-GOSISDBHSA-N 348.284 4.395 0 40 EIAB COc1cccc(NCn2nc(-c3ccc(C)cc3)oc2=S)c1 59475369 BHCRUYGEDXIRQI-UHFFFAOYSA-N 327.409 4.259 0 40 EIAB CNc1nc2c(s1)[C@H](c1cccc(Br)c1)CC(O)=N2 61718783 UOSFZLMLXWXNRX-VIFPVBQESA-N 338.230 4.071 0 40 EIAB Cc1cccc(C2(C(=O)OCC(=O)c3c[nH]c4cccc(C)c34)CC2)c1 64064064 NEOMQDIHGLXHCT-UHFFFAOYSA-N 347.414 4.242 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c(C)c1 69633258 CYGKFWRKGPSRLD-AWEZNQCLSA-N 337.448 4.313 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1cc(Cl)cc2c1OCOC2 71279945 GBFCQCLCAVYKCC-LBPRGKRZSA-N 347.802 4.108 0 40 EIAB FC(F)(F)c1cccc2c(N3CC(c4ccncc4)C3)ccnc12 72131971 GWBMKXITJXPCTQ-UHFFFAOYSA-N 329.325 4.252 0 40 EIAB Cc1cc(C(=O)Nc2cc(Cl)c(Cl)cn2)nn1-c1ccccc1 72530706 XKNPXKFGJHSRGY-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB O=C(Nc1cn[nH]c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 84335397 BBDFELAILHRPIV-UHFFFAOYSA-N 338.211 4.091 0 40 EIAB COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2csc(C3CC3)n2)c1 84544975 GEZPZOAXORQDCI-OLZOCXBDSA-N 344.480 4.400 0 40 EIAB Cc1csc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)n1 89705640 QVNMMQWFMYDJAI-QHCPKHFHSA-N 342.489 4.371 0 40 EIAB CC(C)Cn1ncnc1CN1Cc2ccccc2[C@H](c2ccccc2)C1 95995291 BHLQRZVOBYWLDZ-NRFANRHFSA-N 346.478 4.082 0 40 EIAB CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@H](CO)C1 96435204 CSCFDYZRBGBIHU-LBPRGKRZSA-N 342.892 4.077 0 40 EIAB COc1ccc([C@H](C)Nc2ccc(CN3CCCC3=O)cc2)c(F)c1 97037293 FLYJACMUYIPLNY-AWEZNQCLSA-N 342.414 4.130 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2OC)o1 97094892 WEHCDLFEEPTDJB-MRXNPFEDSA-N 344.411 4.112 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@H]1C2 100868171 DTXQVARBXZLJMS-MGPLVRAMSA-N 325.330 4.039 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCC[C@@H]1C 105385112 QDMGQNMNICYKKZ-TVQRCGJNSA-N 336.794 4.361 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1C 219307189 ZBDBNBRALTYTHJ-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1C 219510227 IUGKBYSPQLCDFE-INIZCTEOSA-N 345.870 4.473 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cccc(Cl)c1 222580394 RZIVQYADKMJGGV-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB Cc1ccc(OCC(=O)NCCOc2ccc3ccccc3c2)c(C)c1 223639270 RZZZBPRRGLJKEV-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2cccc(C)c2C)c1 223854449 UKYNCYSDCGECPZ-UHFFFAOYSA-N 325.452 4.123 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(Cl)cc1 224436078 IEGNKRFCRATBNG-GOSISDBHSA-N 331.843 4.165 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 224463478 GVTOIYZZXYKCOF-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 224776902 MNEZLAAKUJOBQN-QFBILLFUSA-N 341.451 4.347 0 40 EIAB Clc1cc(Br)c2nc(Br)sc2c1 225308253 CVHSRNQWWRXEER-UHFFFAOYSA-N 327.428 4.475 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1 225483616 QTHASUBQGJUTSH-MRXNPFEDSA-N 342.464 4.204 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(Cl)c1 225580520 OTSFEGDFLFFDQL-MRXNPFEDSA-N 339.936 4.281 0 40 EIAB COc1ccc(NC(=S)NC2(C3CC3)CCCC2)c2cccnc12 225877553 AQKNOUWCGAKVIN-UHFFFAOYSA-N 341.480 4.253 0 40 EIAB CCCCOc1ncc(NC(=O)[C@](C)(CCCC)OCC)cc1C 225896889 ODMSPCRVDXJCKB-IBGZPJMESA-N 336.476 4.493 0 40 EIAB CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408625593 XNUSKDBYWOMBBQ-OAHLLOKOSA-N 334.419 4.094 0 40 EIAB Cc1ccc(C)n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 604419332 UEGCTMNBPMONQZ-MRXNPFEDSA-N 339.464 4.078 0 40 EIAB Brc1cn(Cc2cc(C3CC3)no2)nc1-c1ccccc1 629379687 HICYFCDBMLMZCC-UHFFFAOYSA-N 344.212 4.226 0 40 EIAB CO[C@H](CNc1nc2cnccc2s1)c1ccc(Cl)s1 1775971945 ZNSDMHGOGYOEIW-SECBINFHSA-N 325.846 4.206 0 40 EIAB O=C1c2cc(Cl)ccc2CC12CCN(Cc1ccccc1)CC2 2362801564 XOUYIHVWMGIHPY-UHFFFAOYSA-N 325.839 4.361 0 40 EIAB CCOc1ccc(NC(=O)c2ccccc2SCCOC)cc1 2153590 RRRFVNFASPELLA-UHFFFAOYSA-N 331.437 4.076 0 40 EIAB Cc1ccc2[nH]cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)c2c1 4452669 GTJNMPLTADTDLI-UHFFFAOYSA-N 344.205 4.426 0 40 EIAB COCCNc1nnc(SCc2cccc3ccccc23)s1 5078498 VLHMAPIRRHGNEI-UHFFFAOYSA-N 331.466 4.042 0 40 EIAB C[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 6051455 BHEAYQBEXNJRQE-GFCCVEGCSA-N 338.234 4.292 0 40 EIAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCS4)c1 6537199 WBEMGSHYTHCTMY-UHFFFAOYSA-N 346.502 4.457 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(F)cc1 6789763 ILNKQOHWQATBTB-DHZHZOJOSA-N 326.396 4.107 0 40 EIAB O=C(CNCc1cccs1)Nc1ccccc1Cc1ccccc1 6939116 AZWQHCWIUXHBEH-UHFFFAOYSA-N 336.460 4.067 0 40 EIAB c1ccc2c(c1)Cc1ccc(-c3csc(N4CCOCC4)n3)cc1-2 7062676 QLJULBYIMWBDLX-UHFFFAOYSA-N 334.444 4.218 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)cc1 7779496 ZXWNNKJFEGFPPU-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB CSc1cccc(NC(=O)CCc2c(C)nc(SC)nc2C)c1 7940634 YEPPBWJHXXMXIL-UHFFFAOYSA-N 347.509 4.109 0 40 EIAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c(=S)o2)cc1 8550638 UUPFXJXDFZMJQW-UHFFFAOYSA-N 339.420 4.128 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3O)o2)cc1C 8981773 YJHAOSOHMFQVFN-UHFFFAOYSA-N 336.391 4.235 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(O)c(OC)c1 9377824 QKMQNUDXKZATMT-KRWDZBQOSA-N 346.814 4.031 0 40 EIAB O=C(Nc1ccccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 10260399 AYAVGWGCCQHZPH-UHFFFAOYSA-N 338.386 4.114 0 40 EIAB Cc1cc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1F 10366931 GHFOQQOPZHUVSL-ZDUSSCGKSA-N 326.371 4.441 0 40 EIAB Cc1cc(-c2cnc(N[C@H](C)c3ccccn3)nc2-c2ccco2)on1 12089359 XOCVJEIERDGZFR-CYBMUJFWSA-N 347.378 4.268 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(CN2CCCCC2)cc1 12211548 FCRSOMJGJNYEHQ-UHFFFAOYSA-N 334.463 4.414 0 40 EIAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCC2 12620212 PBVBEYNJDZASOQ-ZDUSSCGKSA-N 349.459 4.324 0 40 EIAB O=C(NCCc1cccc2cccnc12)c1ccc2c(c1)CCCC2 12977422 HULANMVHHNDSAD-UHFFFAOYSA-N 330.431 4.086 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1ccc(OCc2cscn2)cc1 12986197 KHTXESRBYTYSAA-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1F 12994685 HVIOALUEIMPQKT-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CCCNC(=O)c1ccsc1 12997645 DWQMUFYCNRNXRA-UHFFFAOYSA-N 344.480 4.329 0 40 EIAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)c1ccc(Cl)cc1 13058421 PEMSPHAPSTWOPO-HNNXBMFYSA-N 342.870 4.278 0 40 EIAB CCn1nnc2cc(C(=O)Nc3ccccc3-c3cccs3)ccc21 14704915 NPJNKVMDWNTYSB-UHFFFAOYSA-N 348.431 4.432 0 40 EIAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccccc1F 15019157 JOHZLRUPSNOEHB-OQLLNIDSSA-N 331.343 4.201 0 40 EIAB CCOc1ccccc1-c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 16841732 RYFDZSIRAZLWJF-UHFFFAOYSA-N 332.363 4.192 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)C1(c2ccccc2)CCOCC1 16985226 IWNBUVCGWZIXNW-UHFFFAOYSA-N 333.790 4.166 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 20491194 QCCHLRUMPVNLJF-GOSISDBHSA-N 327.424 4.498 0 40 EIAB c1ccc([C@H]2C[C@@H](N3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 20719701 RQQFFNMHVWUEHQ-IERDGZPVSA-N 337.419 4.142 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)cs1 24220601 VACMEPXHBKKWAK-LLVKDONJSA-N 327.236 4.251 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1OC(F)F 24860791 MRHAHLIFIDCZLA-UHFFFAOYSA-N 348.324 4.398 0 40 EIAB COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1OC(F)F 25055878 UCRVPYKGAVASJW-GFCCVEGCSA-N 335.350 4.429 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCC4)cn3)cc2c1C 25659855 FXNOVSYECHEPFO-UHFFFAOYSA-N 334.423 4.032 0 40 EIAB O=C(CCN1CCc2ccccc2C1)Nc1cccc2ccccc12 28842506 ICXNNWKULMDYKC-UHFFFAOYSA-N 330.431 4.227 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)ccc1OC 32603671 GPUCTHDWKAOTIN-UHFFFAOYSA-N 349.452 4.018 0 40 EIAB O=[S@](CCOc1cccc(Cl)c1)Cc1cccc2cccnc12 32801180 VSBUOAFWCVUZHB-QHCPKHFHSA-N 345.851 4.216 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2cccs2)C1 40286850 IFRIBYIMGMBHDZ-SNVBAGLBSA-N 331.347 4.336 0 40 EIAB CC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1 42754082 QEIAVLKEHIJDPP-IBGZPJMESA-N 334.375 4.393 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)c(C)c1 44856568 HFFJIEPTAXFWRX-OAQYLSRUSA-N 347.462 4.429 0 40 EIAB O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1c1nc2ccccc2s1 44911845 QSEOCKROMSNGHM-ZBFHGGJFSA-N 344.480 4.309 0 40 EIAB Cc1nccn1-c1ncccc1NC(=O)c1ccc(C(C)(C)C)cc1 47174625 MCVVTUNYKQFLEI-UHFFFAOYSA-N 334.423 4.126 0 40 EIAB c1ccc2c(c1)CCC[C@H]2Sc1nnc(NC[C@@H]2CCCO2)s1 48273413 MIBSRCZVMLXRHG-DZGCQCFKSA-N 347.509 4.299 0 40 EIAB Cc1nc(-c2ccc(NC(=O)NCc3ccc(F)cc3)cc2)oc1C 48374935 AECZOKIALPYAOQ-UHFFFAOYSA-N 339.370 4.419 0 40 EIAB O=C(NC1(c2ccc(F)cc2)CCCC1)[C@@H]1Cc2ccccc2S1 58391908 HRSQPWKRSSABDU-SFHVURJKSA-N 341.451 4.428 0 40 EIAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(-c2ccccc2)n1 60525388 CKTNYMOKMFDWDC-UHFFFAOYSA-N 347.752 4.365 0 40 EIAB CC(C)N(C(=O)c1cc(-c2cc(F)ccc2F)no1)c1cccnc1 79092543 CWYFBEAYESQVDW-UHFFFAOYSA-N 343.333 4.070 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345262 MWMQZXLBQXQFBQ-KBPBESRZSA-N 343.810 4.162 0 40 EIAB c1ccc(-n2c(SC[C@H]3CCCCO3)nc3c2CCCC3)cc1 84572812 YEQWYBVMKDGOCB-MRXNPFEDSA-N 328.481 4.412 0 40 EIAB C[C@@H](CC(=O)OCc1csc(Br)c1)c1ccncc1 84636946 OGRLDYLIFQEEJU-JTQLQIEISA-N 340.242 4.143 0 40 EIAB Cn1ccnc1CSc1nnc(-c2ccccc2)c2ccccc12 95412670 CCRNFORIBXXUBY-UHFFFAOYSA-N 332.432 4.323 0 40 EIAB CC(C)n1cc([C@H](C)NCc2cc(F)cc(Br)c2)cn1 95420664 RIENMJDFVCIWRV-NSHDSACASA-N 340.240 4.216 0 40 EIAB C[C@@H](NC(=O)/C=C/COCc1ccccc1)c1ccccc1Cl 95939764 SPLLAGRLLVNQMZ-CUXKMMBLSA-N 329.827 4.290 0 40 EIAB Cc1ccc(C)c(C(=O)Nc2ccccc2NC2CCN(C)CC2)c1 96404011 MPRIHUJPYLGLCT-UHFFFAOYSA-N 337.467 4.062 0 40 EIAB Cc1ccc(-c2ccc(C(=O)NC(=S)NC3CCCC3)o2)cc1C 107812916 ROYXNPFIJRDLPK-UHFFFAOYSA-N 342.464 4.110 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 108870013 IFRSYECQIYCSLQ-ZJQBRPOHSA-N 342.266 4.313 0 40 EIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 113942862 HOBBASHIVKPGNA-OAHLLOKOSA-N 331.843 4.349 0 40 EIAB Cc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1C 222984506 JRZFDXTYLFJJCB-UHFFFAOYSA-N 335.498 4.227 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)NCC1=CCCCC1 223455306 KNFHJIQLRIPOQV-UHFFFAOYSA-N 327.852 4.329 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N[C@H]1C[C@H]2CC[C@@H]1C2 223662711 TVDNGVGJHVCCBW-RWSFTLGLSA-N 327.852 4.017 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2)c1 224528716 RNPWVPOAYOKKFW-UHFFFAOYSA-N 341.451 4.421 0 40 EIAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COCC(C)C 224734374 LGYCHYOVWWTHFY-UHFFFAOYSA-N 333.472 4.320 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225118689 HSTBVAIWQVKOCB-FQEVSTJZSA-N 336.387 4.232 0 40 EIAB Cc1cccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)c1 225122373 ZEONGXLIEDQGLW-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cc2ccccc2s1 225600445 UVIWKXNAJWLBOK-CYBMUJFWSA-N 337.444 4.197 0 40 EIAB CCOc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 225612225 GAGNVWHZECGKQL-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1 226266388 AXSGTRAYGVBLMR-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB CN(CCCCCc1cc(-c2cccc(F)c2)no1)c1cnccn1 519887681 HZEAIIBWHVZZJQ-UHFFFAOYSA-N 340.402 4.120 0 40 EIAB O=C(NC[C@@H]1CSc2ccccc21)C1(Cc2ccccc2)CCC1 1129182758 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CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(N(C)C)cc1 6623530 HNBLAYAIDWKPLY-UHFFFAOYSA-N 337.250 4.332 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)S[C@H](C)C(=O)N2 6678872 JAEXTRAWXLTORX-KDOFPFPSSA-N 349.459 4.344 0 40 EIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(C)(C)C)cc1 7277370 IREIGDKBWVUOGP-UHFFFAOYSA-N 349.434 4.431 0 40 EIAB C[C@H](Sc1nnc(-c2cccnc2)n1C)c1ccccc1Cl 9501106 PSVQSVJXHPRTCU-NSHDSACASA-N 330.844 4.384 0 40 EIAB CSc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 12038329 BAJZNKMJADMXKY-UHFFFAOYSA-N 344.461 4.095 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccccc2oc1=O 13135414 GUPFMNNUNNXLQJ-UHFFFAOYSA-N 333.265 4.064 0 40 EIAB O=C(NCCC1=CCCCC1)c1cc(F)ccc1Br 14245991 WRQIITDVDQAQOR-UHFFFAOYSA-N 326.209 4.209 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cnn(Cc2ccccc2)c1 14799931 CLHWSBBEFQTUIX-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 15340111 XFMAMRAFJOLZCA-INIZCTEOSA-N 329.399 4.409 0 40 EIAB Cc1ccoc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 17960302 WWKAQIDITLCVDC-UHFFFAOYSA-N 326.421 4.218 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 20493438 MVLLYXZMPQRZKH-FQEVSTJZSA-N 341.451 4.176 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CC[C@H]2CCCC[C@@H]2C1 21905397 WDHFCXZRAOLIIQ-ZIAGYGMSSA-N 349.858 4.154 0 40 EIAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc3ncccc23)cc1 22203342 TZDUOYCQHKXPHA-CQSZACIVSA-N 333.387 4.225 0 40 EIAB COc1cc(CN[C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 22784015 XZFXESHTISZFJJ-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N(Cc2cccs2)C2CC2)c(C)c1 28041275 BYSPCQWDDVBFBT-UHFFFAOYSA-N 335.494 4.027 0 40 EIAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NOCc1ccccc1 31616431 ZOFXAJQZKCFJBD-ZHACJKMWSA-N 338.794 4.149 0 40 EIAB Cc1ccc(C(=O)CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 32973925 VKAGUJFGRDXEAK-UHFFFAOYSA-N 325.452 4.043 0 40 EIAB COc1cc2c(cc1OC)/C(=C\c1ccc(SC)cc1)C(=O)OC2 33868915 HRDMOQYPWZFQBW-LZYBPNLTSA-N 342.416 4.023 0 40 EIAB COc1cccc(-c2cc(C(=O)O)c(C)n2-c2ccccc2F)c1 35518041 SIETYYHTMVQBKQ-UHFFFAOYSA-N 325.339 4.299 0 40 EIAB Cc1cc(C(=O)NCc2ccccc2CN(C)C(C)C)sc1C 36397235 YAGVSPAFORXAOR-UHFFFAOYSA-N 330.497 4.135 0 40 EIAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2c[nH]c3ccccc23)cc1 40023523 WZLUJVRTUIEKJF-UHFFFAOYSA-N 344.418 4.152 0 40 EIAB Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 40072752 QWXQSERQBRSHJL-UONOGXRCSA-N 330.350 4.007 0 40 EIAB Cc1cc(N(C)C)ccc1NC(=O)c1nc(-c2ccco2)sc1C 40111602 KPWWOXBQFUCADJ-UHFFFAOYSA-N 341.436 4.338 0 40 EIAB COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1OC 44816094 NMCPXHILOVVYAY-RYUDHWBXSA-N 331.334 4.011 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSC1CCCCC1 44899818 FEHBCGQKWUSUAK-CYBMUJFWSA-N 341.904 4.289 0 40 EIAB CN(Cc1nc(Cc2ccccc2)no1)Cc1cccc2ccccc12 51993130 RQWNWPWZXJKKPM-UHFFFAOYSA-N 343.430 4.446 0 40 EIAB O=C(C=C1CCCCC1)Nc1ccccc1OC[C@H]1CCCCO1 56350805 QJGLTRRBZCBULK-QGZVFWFLSA-N 329.440 4.464 0 40 EIAB O=C(NCc1ccc(-n2ccnc2)cc1)Nc1cccc2c1CCCC2 58061574 DTUFCDASCMGTLO-UHFFFAOYSA-N 346.434 4.073 0 40 EIAB CN(C)c1nc2sc(C(=O)NC(C)(C)CC(C)(C)C)cc2s1 64803531 ILAWQJLJNYPXCL-UHFFFAOYSA-N 339.530 4.368 0 40 EIAB Fc1ccc(-c2nc(CSc3nncc4ccccc34)no2)cc1 65552207 ARNXZYZQAZHNBC-UHFFFAOYSA-N 338.367 4.111 0 40 EIAB CC(C)CCSCC(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 69696607 NSKNFZHBKNRBHZ-CYBMUJFWSA-N 349.525 4.162 0 40 EIAB Brc1ccc2ccccc2c1I 71256891 QAFFBUBNQSNVSZ-UHFFFAOYSA-N 332.966 4.207 0 40 EIAB COc1ccc(C(=O)c2cnc3ccc(OC)cc3c2Cl)cc1 71775360 RFCJUZHGKIMBOJ-UHFFFAOYSA-N 327.767 4.136 0 40 EIAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1)C1CCCC1 72215604 NTUVCDFJQMBRRA-INIZCTEOSA-N 331.460 4.190 0 40 EIAB CC(C)C(=O)Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2 72406266 XCEHJLMQEDAWPL-UHFFFAOYSA-N 325.368 4.003 0 40 EIAB c1ccc(-n2ncc(CSC3=Nc4ccccc4CS3)n2)cc1 84576812 ZWIITOKTIGCVIF-UHFFFAOYSA-N 338.461 4.435 0 40 EIAB O=C(Nc1ccccc1)N1CCC(CSc2ccccn2)CC1 85557641 IWVYRUAWVCOSRT-UHFFFAOYSA-N 327.453 4.118 0 40 EIAB COc1cc(CO)c(Cl)cc1OCc1ccc(F)cc1Cl 95095045 UMMPWQIHFBHPLY-UHFFFAOYSA-N 331.170 4.212 0 40 EIAB Cc1nc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)no1 95965302 HIURQXFJNFIIEX-QGZVFWFLSA-N 331.778 4.050 0 40 EIAB Cc1noc(Cc2ccccc2NC(=O)Nc2cccc(Cl)c2)n1 96097079 PNFNEBRHGXZALO-UHFFFAOYSA-N 342.786 4.266 0 40 EIAB CC1(C)Oc2ccc(NC(=O)N3CCC[C@H]3c3ccco3)cc2O1 96407955 PTHNNCOBLAGOJQ-ZDUSSCGKSA-N 328.368 4.156 0 40 EIAB C[C@H](O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509776 QAVDENUSFIFMPD-VIFPVBQESA-N 340.217 4.240 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(F)c(F)c1 96759119 CLWYRYOVSGOKHS-KPKJPENVSA-N 344.386 4.297 0 40 EIAB C[C@@H](C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)c1cccs1 97165434 SHJOXLLHZVOLMF-OXQOHEQNSA-N 342.508 4.023 0 40 EIAB O=C(Nc1ccccc1-c1ccncc1)N1CCCC[C@@H]1c1cn[nH]c1 97375010 GVCIFLPVIBYHJN-LJQANCHMSA-N 347.422 4.231 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@H]1C2 100868083 ARZVELAWNXFNEU-XXFAHNHDSA-N 326.223 4.327 0 40 EIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)N5CCCC5)(C4)C2)C3)cc1 100872925 WKTNCQQIXKWCBE-NFAVZRQZSA-N 338.495 4.391 0 40 EIAB CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1cnc([C@@H]2CCCO2)s1 101828380 KCMGUOXCSNYFNE-VGWMRTNUSA-N 346.496 4.057 0 40 EIAB C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@@]32CN1C 118936471 PBPLSRQRDBOFMK-RVLWNLAOSA-N 327.512 4.138 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc2ccccc2c1 216951175 ZLLZGDBJSMICIN-UHFFFAOYSA-N 329.355 4.490 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219582101 UGJHMXZAIAGQAT-CRAIPNDOSA-N 329.415 4.477 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 222783168 SERYWANKFNPVCL-UHFFFAOYSA-N 349.361 4.074 0 40 EIAB COc1ccccc1CCCNC(=S)Nc1cccc(Cl)c1 225549206 ZLVDYTOKSNWEFF-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CCOP(=O)(OCC)C(F)(F)[C@@H](CN)c1ccc(Cl)cc1 306145922 VYOJJPMHKHXEBL-LBPRGKRZSA-N 341.722 4.241 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2cc(C)cc(C)c2)c1 408706192 WXQRCUXNZVRZLB-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1O 408845850 RZGJAPMXAMMVLW-NTUHNPAUSA-N 334.158 4.044 0 40 EIAB S=C(Nc1cccc(Br)c1)Nc1ccc2conc2c1 409205114 LZEPMUVEPSDDDZ-UHFFFAOYSA-N 348.225 4.399 0 40 EIAB O=C(O)c1sccc1CN1CCC(c2c[nH]c3ccccc23)CC1 563280639 ZBBDQBIIBOOBJY-UHFFFAOYSA-N 340.448 4.307 0 40 EIAB O=C(O)[C@@H](c1ccsc1)N1CCC[C@@H]1c1nc2ccccc2s1 576830310 RZZXPCUZAZHBOF-UKRRQHHQSA-N 344.461 4.321 0 40 EIAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775967442 RNULUJVCGRCSMX-CQSZACIVSA-N 342.420 4.172 0 40 EIAB COc1ccc2ncc(C(=O)O)c(Nc3ccccc3Cl)c2c1 151354 VOSKDPXGQCYDQM-UHFFFAOYSA-N 328.755 4.339 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1ccc(Cl)cc1)c1ccccc1O2 424756 POXRXVUWBMVWOZ-RHSMWYFYSA-N 330.840 4.275 0 40 EIAB O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccc(F)cc1 546124 CBZBMUDELIVGRR-UHFFFAOYSA-N 341.411 4.352 0 40 EIAB S=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1369670 YUJLCEAQWFDVFW-IRXDYDNUSA-N 349.931 4.174 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1O 1886753 KSJDITCHRTYNTC-UHFFFAOYSA-N 340.206 4.497 0 40 EIAB O=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)cc1Cl 3239225 RQONAPZYABGLJX-UHFFFAOYSA-N 341.165 4.101 0 40 EIAB Cc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3444230 QHJBKEQWTVONSF-UHFFFAOYSA-N 326.377 4.066 0 40 EIAB COc1ccc2c(CC(=O)Nc3ccccc3OC(F)F)coc2c1 3528528 SWSUDZFQPFMNKC-UHFFFAOYSA-N 347.317 4.224 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)cc2)CC1 4675481 STLHVNUTDTWVFE-UHFFFAOYSA-N 330.472 4.045 0 40 EIAB CC(=O)N1[C@@H](Nc2ccc(Cl)cc2)C[C@@H](C)N1c1ccccc1 4723597 ADQFNWFAIRDXIZ-FZKQIMNGSA-N 329.831 4.140 0 40 EIAB COc1ccc2ccc(O[C@H](C)C(=O)N(C)c3ccccc3)cc2c1 5365708 JCIRYSJSMVWWAR-OAHLLOKOSA-N 335.403 4.279 0 40 EIAB O=C(c1ccc(Oc2ccccc2)cc1)c1nnc(-c2ccncc2)o1 5737667 SZKCCISUBVRKRZ-UHFFFAOYSA-N 343.342 4.155 0 40 EIAB CCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)c1ccccc1 6505667 RYZHOZVOTNZJQN-UHFFFAOYSA-N 325.437 4.017 0 40 EIAB CC(C)Cc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 7191904 YLRMIZHQAJTEAC-UHFFFAOYSA-N 329.347 4.008 0 40 EIAB Cc1csc(SCC(=O)c2cc(C)n(-c3nccs3)c2C)n1 7196255 ZIZNUYCEAVETJV-UHFFFAOYSA-N 349.506 4.291 0 40 EIAB Cc1cccn2cc(CSc3nnc(-c4ccccc4F)o3)nc12 8132912 PIFKAUVLTAZSFY-UHFFFAOYSA-N 340.383 4.124 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(=O)O)ccc2C)cc1 8267013 ANVPGXSHMQTYAM-ZDUSSCGKSA-N 329.421 4.121 0 40 EIAB Cc1cc2nc(CC(=O)c3ccc4ccccc4c3)c(=O)[nH]c2cc1C 8655350 GASGFNMGZBWGIZ-UHFFFAOYSA-N 342.398 4.119 0 40 EIAB Cc1ccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)cc1C 12016690 ATKRBAUEZYQAMS-UHFFFAOYSA-N 349.459 4.491 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)o1 12798463 XCULSTIYIYGUCI-UHFFFAOYSA-N 339.416 4.153 0 40 EIAB O=C(Nc1ccc(C2=NCCO2)cc1)Nc1cccc(C(F)(F)F)c1 16399363 ADCXXAWKCWDYPZ-UHFFFAOYSA-N 349.312 4.126 0 40 EIAB COc1ccc(C)cc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19133457 YSSZVJUCJGOGQR-QGZVFWFLSA-N 335.451 4.260 0 40 EIAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(F)cc1 20138156 IQCDQEJPRNIMSX-UHFFFAOYSA-N 328.126 4.083 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 20158453 IXAAINURMJVNCR-UHFFFAOYSA-N 344.370 4.382 0 40 EIAB Cc1ccc(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)cc1 20393390 XKRQBSRLRTXVKF-UHFFFAOYSA-N 338.190 4.132 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccccc2Cl)c1 20485270 MRJGAKYGFBZWQV-KRWDZBQOSA-N 347.842 4.213 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(Cl)cc1 20495713 GWAMAXVFRHFREY-SFHVURJKSA-N 349.833 4.386 0 40 EIAB Cc1ccc(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)c(C)c1 21659888 TYZOHFKJNONFNU-KRWDZBQOSA-N 338.451 4.216 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(C)c1 24751159 YMTLYAMUOXKYJH-UHFFFAOYSA-N 341.476 4.090 0 40 EIAB CCCOc1ccccc1C(=O)Nc1ccnn1Cc1cccs1 28404507 XTMXCSHZHBWNLR-UHFFFAOYSA-N 341.436 4.034 0 40 EIAB Cc1nc2ccccc2n1CCNC(=O)c1occc1-c1ccccc1 29928651 MWRWTGTWMLLVLR-UHFFFAOYSA-N 345.402 4.035 0 40 EIAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C 32601931 XKAKDNWFIJSOOV-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)cc1C 36620761 GJIACFDNMSGRAR-IBGZPJMESA-N 343.492 4.446 0 40 EIAB COc1ccc(C(=O)c2ccc(Br)cc2C)cc1OC 36829446 DUPRXMRHPFMNLG-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB Cc1n[nH]cc1CN[C@H](C)c1cc2cc(Br)ccc2o1 38011139 WBHFBDAIPONBBM-SNVBAGLBSA-N 334.217 4.078 0 40 EIAB Cc1ccccc1CNC(=O)Nc1ccc(Br)cc1F 40023928 MOGVITYNOBZRRP-UHFFFAOYSA-N 337.192 4.218 0 40 EIAB CCOC(=O)c1nc(CN(C)[C@@H](C)c2cc3ccccc3o2)cs1 40153898 GLRFCXYLSGSVDA-LBPRGKRZSA-N 344.436 4.259 0 40 EIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42713238 RIYUBHLBFNVYTJ-CYBMUJFWSA-N 343.446 4.488 0 40 EIAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccccc2)ccc1Cl 44073770 RCRYIYNYOUGELH-LLVKDONJSA-N 348.855 4.174 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncc(-c2ccc(F)cc2)o1 48250112 SXFQQOXKZMSONK-STQMWFEESA-N 348.443 4.362 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)CCc1ccccc1 57677910 DAVJCYMUUBICMT-SJORKVTESA-N 327.493 4.446 0 40 EIAB COc1ccc2oc(C)c(C(=O)Nc3ccc4oc(=O)ccc4c3)c2c1 58356462 INAZCRKTRCVJCN-UHFFFAOYSA-N 349.342 4.109 0 40 EIAB O=C(c1cccnc1Nc1ccccc1F)N1CCCCCCC1 58428730 QVOZRIPECMSULR-UHFFFAOYSA-N 327.403 4.371 0 40 EIAB Cn1cc([C@H]2CCCN2Cc2coc(-c3ccc(Cl)cc3)n2)cn1 71799322 MVFGDFKABXBKAI-QGZVFWFLSA-N 342.830 4.066 0 40 EIAB COC(=O)c1ccc(CNc2nc(Cl)nc3sc(C)cc23)cc1 73647994 VUGCXESMKABISN-UHFFFAOYSA-N 347.827 4.052 0 40 EIAB CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 76056370 FNWJCNKFBWSMCV-IGCXYCKISA-N 340.870 4.023 0 40 EIAB CCCCCOc1ccc(C(=O)Nc2ccccc2[S@](C)=O)cc1 76059086 VHZGJMCJUMKWMG-XMMPIXPASA-N 345.464 4.245 0 40 EIAB CC(=O)Nc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1F 76511080 CJOQTKVSSPICHR-KRWDZBQOSA-N 344.386 4.135 0 40 EIAB C[C@H](Cc1ccsc1)N(C)C(=O)Cc1csc(-c2ccoc2)n1 81402795 PPZQSELKTJUBMM-GFCCVEGCSA-N 346.477 4.097 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3CC(C)(C)C)n[nH]2)s1 84205721 VDXNITZOEJUHMH-ZDUSSCGKSA-N 331.485 4.487 0 40 EIAB O=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccncc1 84339177 FNNYYOMZDKIUNS-UHFFFAOYSA-N 345.118 4.115 0 40 EIAB C[C@@H](O)C[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 89894874 WIZQZZDDCSAAPU-VQIMIIECSA-N 349.430 4.231 0 40 EIAB C[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1ccc(-n2cncn2)cc1 95419551 VKEZCWVNJAYVBW-IERDGZPVSA-N 344.418 4.301 0 40 EIAB Cc1cccc(NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 96024945 MKJPDXSAGSRBEZ-UHFFFAOYSA-N 345.830 4.119 0 40 EIAB Oc1c(Br)cccc1-c1csc(-c2cccnc2)n1 96171238 SFOABOKCEWEEHX-UHFFFAOYSA-N 333.210 4.340 0 40 EIAB CCOCc1ccccc1NC(=O)NC1(c2cccc(F)c2)CC1 96418000 CZBACOANCGQJRY-UHFFFAOYSA-N 328.387 4.173 0 40 EIAB Cc1ccc(-c2ccc(C(=O)N(C)CCc3ccccn3)s2)o1 96500729 MZGCPKMRHLKFFM-UHFFFAOYSA-N 326.421 4.026 0 40 EIAB CC(C)OCc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 97113194 VGVKBKVYHICXJC-GOSISDBHSA-N 342.443 4.094 0 40 EIAB CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 101105942 KMFCGRFHIFHIHO-MOPGFXCFSA-N 333.387 4.325 0 40 EIAB CCCc1c(NCc2nnc(C(C)C)o2)cnn1-c1ccc(F)cc1 192765579 YSSIWNQXAVIDMR-UHFFFAOYSA-N 343.406 4.082 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cccc3c2CCCC3)c1 222762429 RPTFUSICPHRXHN-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1c(F)cccc1Cl 224180972 HIGIBWARIRTJNW-GFCCVEGCSA-N 335.872 4.115 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(Cl)cc1 224436638 FDJVFDUDWXLYLL-SFHVURJKSA-N 347.842 4.001 0 40 EIAB FC(F)(F)c1ccc(NC(=S)NCCCOC2CCCC2)cc1 225619771 GZFOHOCNLVLCHN-UHFFFAOYSA-N 346.418 4.341 0 40 EIAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2ccccc12 225809752 XMVNLBVENDWOGU-VBKZILBWSA-N 327.424 4.382 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408709659 DUAPYMNAGVQIKJ-KLAILNCOSA-N 338.536 4.040 0 40 EIAB O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1ccccc1 409382129 LDAIPPZWBWBKKJ-MHWRWJLKSA-N 349.367 4.034 0 40 EIAB CCOc1ccc(NC(=O)Cc2ccc(OCC)c(OCC)c2)cc1 142765 RYONHXVZYXREGP-UHFFFAOYSA-N 343.423 4.064 0 40 EIAB CCc1nc(SCC(=O)Nc2cccc(C)c2)c2ccccc2n1 412505 IEHJLHXJZVHCTP-UHFFFAOYSA-N 337.448 4.231 0 40 EIAB Cc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 422715 DALDXVAXNLMPCZ-UHFFFAOYSA-N 348.431 4.098 0 40 EIAB Cc1ccccc1-c1nnc(SCC(=O)OC2CCCCC2)o1 422788 HBPALMDSZYCFOB-UHFFFAOYSA-N 332.425 4.013 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)c(C)c1 570468 RAAWOAOZZPLJGX-UHFFFAOYSA-N 326.465 4.356 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1 1002143 JVFJDPOIFJJDQP-UHFFFAOYSA-N 329.787 4.047 0 40 EIAB CN(C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1773696 WGOUWWXKAPEGFC-UHFFFAOYSA-N 332.831 4.204 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)s1 3245913 MRGBYFUVUBTCQT-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)c3ccc4ncsc4c3)sc2C1 4088358 GGLDFNZNKQNMCL-SECBINFHSA-N 329.450 4.130 0 40 EIAB CC(C)(C)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 4968477 RXAFTTUHZHNWOP-UHFFFAOYSA-N 341.480 4.320 0 40 EIAB O=C(Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1)C1CCCC1 6537409 AKLIFGUEYCDEQM-UHFFFAOYSA-N 346.843 4.240 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(-c2ccccc2)c1C 7781832 FGSCOBICSLNBFO-UHFFFAOYSA-N 345.446 4.391 0 40 EIAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F 7972891 IVUMUSIKULWHPN-UHFFFAOYSA-N 330.256 4.034 0 40 EIAB Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1 8133757 VKENEBADGWNGNR-UHFFFAOYSA-N 345.402 4.482 0 40 EIAB COCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 8469248 VQDRBSIWJRZNIN-UHFFFAOYSA-N 340.250 4.308 0 40 EIAB O=C(c1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 8586601 AQTOKFFKMAXFDC-UHFFFAOYSA-N 340.423 4.455 0 40 EIAB Cc1ccc(OCCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 9154970 ZUHBXRVWACSKHB-IBGZPJMESA-N 349.434 4.004 0 40 EIAB Fc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 9583268 GSULDGWMFPAGPB-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Cc1ccc(-n2cnn(CN3CCC[C@@H](C)C3)c2=S)cc1Cl 13097635 YEDBDWTXKXAIMF-GFCCVEGCSA-N 336.892 4.055 0 40 EIAB O=c1c(Cl)c(NC2CCCCCC2)cnn1Cc1ccccc1 15208918 KPPTWYAKKZQBEP-UHFFFAOYSA-N 331.847 4.080 0 40 EIAB O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccs1 16092833 UTNAFZLNBTZCLE-UHFFFAOYSA-N 346.429 4.095 0 40 EIAB CCOc1ccc(Nc2ncccc2C(=O)N2CCC(C)CC2)cc1 17355653 WXINNVYWZOMOEK-UHFFFAOYSA-N 339.439 4.096 0 40 EIAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(C(F)(F)F)c1 18016046 RMYMEBNJZPUJJD-SNVBAGLBSA-N 333.313 4.073 0 40 EIAB CCN1CCC(Nc2nc(-c3ccsc3)nc3ccccc23)CC1 18057095 ZPKLTJYPQHASEC-UHFFFAOYSA-N 338.480 4.255 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(N)ccc1F 19736573 HSFUFMSTWKXSFC-QMMMGPOBSA-N 343.185 4.121 0 40 EIAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1ccc(CC)cc1 19927355 MOPGNQDVTLFLSP-IBGZPJMESA-N 327.449 4.426 0 40 EIAB c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 20070138 ADYNDGBDWNQGKT-TZIWHRDSSA-N 327.387 4.324 0 40 EIAB C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1 20312659 RRGVCYTYQVAYDT-VLIAUNLRSA-N 325.383 4.297 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCCCc2cccc(C)c2)cc1 20450982 FVRGNADSWHENFE-INIZCTEOSA-N 343.492 4.233 0 40 EIAB Cc1nc(CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cs1 23646417 TVBPNJFFULPCBX-UHFFFAOYSA-N 344.524 4.267 0 40 EIAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc2ccccc2c1 24045196 LGNZPQNHQNRPRD-HNNXBMFYSA-N 343.430 4.269 0 40 EIAB CN(Cc1nc(-c2ccsc2)no1)Cc1nc2ccccc2s1 27404553 CNTJRVPVHAIMLE-UHFFFAOYSA-N 342.449 4.040 0 40 EIAB CCCn1c2c(c(SCc3ccc(Cl)cc3)nc1=O)CCC2 28286770 QQICNVZILMYYGJ-UHFFFAOYSA-N 334.872 4.088 0 40 EIAB CN(C)c1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 31664750 RLZOPAKUAXMUST-UHFFFAOYSA-N 331.847 4.160 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)cc1 36366592 OSHNSWZLCHPYPU-QGZVFWFLSA-N 349.390 4.013 0 40 EIAB CNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618446 BXWYIPFIIWNSIN-UHFFFAOYSA-N 347.349 4.056 0 40 EIAB CCc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1 38704336 JQABIOVUTCPVAY-UHFFFAOYSA-N 335.407 4.214 0 40 EIAB C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 40097376 ITQBZFGIYGJRJX-ZETCQYMHSA-N 330.256 4.265 0 40 EIAB COc1ccc(C2=CCN(C(=O)CCCc3cccs3)CC2)cc1 40122413 FZUNVYNJHOIENK-UHFFFAOYSA-N 341.476 4.395 0 40 EIAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc2ccccc12 41001852 ZRUUEKCJFDOBJP-UHFFFAOYSA-N 343.386 4.461 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC[C@H](c1cccs1)N(C)C 43340911 NEFZGUKKMXWADK-MRXNPFEDSA-N 345.512 4.297 0 40 EIAB CC(C)OC(=O)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 44168162 WCIIRDYGYZQMAA-UHFFFAOYSA-N 341.794 4.209 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 44849687 DZURGNNVTCSTNO-INIZCTEOSA-N 349.430 4.322 0 40 EIAB O=C(c1cccc(-n2cccc2)c1)N1CCC(Nc2ccccc2)CC1 50174645 ARSNGQWYZUFGBE-UHFFFAOYSA-N 345.446 4.194 0 40 EIAB Cc1c(O)ccc2c(CN3CCC[C@H]3c3ccsc3)cc(=O)oc12 52803447 ZTXVCOXCEAIPCL-INIZCTEOSA-N 341.432 4.206 0 40 EIAB S=C(Nc1ccc2c(c1)CCC2)Nc1cnn(Cc2ccccc2)c1 53521323 SPVAOTHRCIDRDV-UHFFFAOYSA-N 348.475 4.229 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1)CO3 58088543 AXNZXTKJCFXTEL-UHFFFAOYSA-N 335.403 4.016 0 40 EIAB biogenic CCCC[C@@H](Sc1nccn1-c1ccccc1C(C)C)C(N)=O 65591326 OHZIUVKYQFFLDR-MRXNPFEDSA-N 331.485 4.132 0 40 EIAB C[C@@H](c1nc(-c2ccccc2)no1)N1CC=C(c2ccc(O)cc2)CC1 71873500 WULCPTDZWCVKEF-HNNXBMFYSA-N 347.418 4.293 0 40 EIAB CCc1nccn1-c1cccc(C2CCN(C3CCCCC3)CC2)n1 72378711 QVEPNRHNASJIJF-UHFFFAOYSA-N 338.499 4.342 0 40 EIAB C[C@@H]1CSc2ccccc2N1C(=O)Cc1c[nH]c2cc(F)ccc12 75105948 CZSFNIARVHVVNX-GFCCVEGCSA-N 340.423 4.377 0 40 EIAB CN1CCN(C(=O)Nc2cccc3ccccc23)[C@H](c2ccccc2)C1 85468164 FPIAYDOOQSMISZ-NRFANRHFSA-N 345.446 4.360 0 40 EIAB COCCn1ccc2cc(C(=O)Nc3ccc4[nH]ccc4c3)ccc21 85878147 XPTPOHVLGNGTEI-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB biogenic C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc(F)c4)cc3c2C1 95349374 FXOCMTWKZPXAKV-CYBMUJFWSA-N 336.410 4.362 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1Cl 113971035 GYIYSUMRUXVFMB-KRWDZBQOSA-N 331.843 4.431 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc2ccccc12 222860222 JGDUCSPYFJDSRB-UHFFFAOYSA-N 345.851 4.113 0 40 EIAB CC(C)(C)NC(=S)Nc1ccc(N2CCCc3ccccc32)nc1 223883081 VLVUKADHWSJEAH-UHFFFAOYSA-N 340.496 4.251 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc(Cl)cc1 224618555 UIFMYVYXBWOFMY-SFHVURJKSA-N 347.842 4.001 0 40 EIAB Cc1ccc([C@@H](NC(=S)Nc2ccncc2)c2ccccc2)cc1 225512851 SXMOBPVJCDEGLU-IBGZPJMESA-N 333.460 4.466 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1ccnc(-c2cccs2)c1 225651803 FJDJSUSDXZNSQH-UHFFFAOYSA-N 347.443 4.150 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1 226359063 NCBORUNCEPJAJB-UHFFFAOYSA-N 332.831 4.237 0 40 EIAB Cc1ccccc1CN(C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O 585288586 FGQQCVGZFHDWFS-KSEOMHKRSA-N 339.479 4.096 0 40 EIAB O=C(NCc1ccc(-c2ccncc2)cc1)[C@@H]1CCCc2ccccc21 606816147 XDJNQTZXDDNHNL-JOCHJYFZSA-N 342.442 4.485 0 40 EIAB Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)O[C@@H](C)C2)c1F 1551360041 VQKIDQDJRYHWGV-MAUKXSAKSA-N 327.399 4.126 0 40 EIAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccccc3)c12 82608 AVNXQTHDGKMUFE-UHFFFAOYSA-N 336.387 4.316 0 40 EIAB biogenic CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1F 200861 IEFNCCFFWVSCEZ-CQSZACIVSA-N 339.414 4.201 0 40 EIAB O=C1N(c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F 350840 VAXZEGQTSSDXBB-CYBMUJFWSA-N 327.252 4.429 0 40 EIAB CCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1OCC 936366 VVHXFKBEUFDCOQ-WYMLVPIESA-N 339.435 4.156 0 40 EIAB Cc1noc(C)c1COc1ccc(OCc2c(C)noc2C)cc1 1094820 YSXQRWBKIRZZOC-UHFFFAOYSA-N 328.368 4.054 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1OC 1934631 RXJJNMJVQQRDLO-PKNBQFBNSA-N 325.408 4.444 0 40 EIAB Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)cc1C 2706929 PZBGBUQEXHEFIS-INIZCTEOSA-N 326.421 4.250 0 40 EIAB O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 3490412 KCDDOIROERZIBT-UHFFFAOYSA-N 346.382 4.305 0 40 EIAB CSc1ccccc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062627 OMHCWXSTFOZOMB-UHFFFAOYSA-N 338.432 4.030 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1 4119811 BYXQSWIMPXCSSX-UHFFFAOYSA-N 330.840 4.085 0 40 EIAB O=C(Nc1nnc(-c2cccs2)o1)c1cc(Cl)ccc1Cl 4330354 ITMHJNPJEBJISI-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB O=C(OCc1nc(-c2ccccc2)no1)c1ccccc1C(F)(F)F 5978869 AQHNNNHUMAFRON-UHFFFAOYSA-N 348.280 4.112 0 40 EIAB Cc1ccc2c(CC(=O)Nc3nc(-c4cccnc4)cs3)coc2c1 6831035 UNHHZPQFGPVKLC-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB O=C(OCc1nc(-c2cccs2)no1)c1cccc2ccccc12 7155006 YFHPBRPVFGVABK-UHFFFAOYSA-N 336.372 4.308 0 40 EIAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 7212896 BYTXPMCHHBCEBT-OAHLLOKOSA-N 349.217 4.046 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Cl)c1 7944665 GETBUBSKFSRVJZ-GOSISDBHSA-N 340.810 4.243 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1OCC 8031502 BAUTZEMZUTXZGJ-MRXNPFEDSA-N 341.451 4.212 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1cccc(Br)c1 8206214 FAOGMXYGBYNEFK-UHFFFAOYSA-N 338.226 4.112 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2cc(Cl)c3c(c2)OCO3)n1 8231678 XYSAHKBXSYXCCM-UHFFFAOYSA-N 338.816 4.075 0 40 EIAB C[C@@H](NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 8705705 QUAWRKLDABYIHT-SNVBAGLBSA-N 336.844 4.002 0 40 EIAB Cc1noc(C)c1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 8982482 YGWAWUAMQPNOMG-UHFFFAOYSA-N 344.798 4.064 0 40 EIAB CCOc1ccccc1NC(=O)c1cc2ccc(OC)cc2nc1C 10412619 YIWSNFYNJFIDNW-UHFFFAOYSA-N 336.391 4.203 0 40 EIAB Cc1noc(-c2cnc(NCc3ccncc3)nc2-c2ccco2)c1C 12089706 YSGBOFJOZZRXDO-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCc2cccc(C)c2)cc1Cl 12738322 QCCOUTFQXWRPLD-UHFFFAOYSA-N 330.815 4.178 0 40 EIAB COC(=O)c1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1 12993441 JRWOJWRMTNRIGR-ZDUSSCGKSA-N 341.432 4.004 0 40 EIAB CC(C)(C)c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 13494631 YQFGJWZUIYAJQU-UHFFFAOYSA-N 327.240 4.457 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)o1 14093691 DRXIYHDTICJJFS-LBPRGKRZSA-N 343.408 4.066 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1NC(=O)c1ccco1 15339824 AZMIYWVGWDYPRW-HNNXBMFYSA-N 348.402 4.331 0 40 EIAB O[C@](c1ccccc1)(c1ccco1)[C@](O)(c1ccccc1)c1ccco1 17287941 DZHGFHSQDFHGNX-SZPZYZBQSA-N 346.382 4.045 0 40 EIAB Fc1cc(F)cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 19346895 HCDMZZFXIXGGFR-OAHLLOKOSA-N 327.378 4.221 0 40 EIAB CCOc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 20050028 LXRXVYKRYCZYCS-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB Cn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2cc(F)ccc21 22236241 KSMYFFLGMRARLB-UHFFFAOYSA-N 346.361 4.083 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCc2ccccc21 22525857 HOLUGWOWJJOPKG-SFHVURJKSA-N 329.827 4.477 0 40 EIAB CCn1cnnc1-c1cccc(NC(=O)c2c(F)cccc2Cl)c1 25284329 FBIHNCYXFOBPNS-UHFFFAOYSA-N 344.777 4.010 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc2ccccc2[nH]1 27919916 JYKSKUUQIHUKLH-UHFFFAOYSA-N 347.418 4.046 0 40 EIAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(C2CCCC2)n1 28305075 WANLNBIAYBSVIX-UHFFFAOYSA-N 327.428 4.346 0 40 EIAB C[C@@H]1c2cccn2CCN1C(=O)CCC(=O)c1ccc2ccccc2c1 30263341 DDRNQBBKLUBEIK-MRXNPFEDSA-N 346.430 4.208 0 40 EIAB CC[C@@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1OC(F)F 30904745 HPENNPCVIRNKFG-QGZVFWFLSA-N 348.393 4.487 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)o1 32815593 PDFAUSJZAYWLCI-UHFFFAOYSA-N 346.839 4.224 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(OC(F)(F)F)c1 32908578 ZPNKNTJDWJXAIP-UHFFFAOYSA-N 335.325 4.255 0 40 EIAB Cc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)oc1C 33579377 RVASKSWSVNHCCT-HNNXBMFYSA-N 336.391 4.364 0 40 EIAB O=C(NCCSCc1ccsc1)c1ccccc1OC(F)F 36686545 RKINUPQVOQWPCZ-UHFFFAOYSA-N 343.420 4.013 0 40 EIAB Cc1c(-c2ccc(Br)cc2)nc2sc(C3CC3)nn12 40963962 SURMMEMVZVRINV-UHFFFAOYSA-N 334.242 4.406 0 40 EIAB Cc1noc([C@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 44585370 MTLXDKGOZYFZRO-KSSFIOAISA-N 346.434 4.342 0 40 EIAB Cc1cc(-c2cnc(NCc3cccs3)nc2-c2ccco2)on1 72338427 OEKQUOYKESPGGD-UHFFFAOYSA-N 338.392 4.374 0 40 EIAB O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 78826188 IWDDZAMBFVGDRV-QGZVFWFLSA-N 344.252 4.200 0 40 EIAB C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1cnc2ccsc2c1 90541220 JYHJNCFERKXGDJ-RVSPLBMKSA-N 334.510 4.002 0 40 EIAB CC(C)(C)NC[C@@H](O)c1ccc(OCc2ccccc2)cc1Cl 95080057 QLPAWSIKHUCMIC-GOSISDBHSA-N 333.859 4.341 0 40 EIAB O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@@H]1c1ncc[nH]1 95458549 NMWOYBAUVFBSOD-QGZVFWFLSA-N 345.402 4.215 0 40 EIAB CC(C)Oc1c(I)cc(Cl)c2cccnc12 95837034 HWOIDUODKSOSJP-UHFFFAOYSA-N 347.583 4.280 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105411167 NWAJCNWYMSTERC-GQILCNHXSA-N 348.284 4.403 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(C2CC2)nc1 222597255 GIFSWQFFIGYUOA-UHFFFAOYSA-N 331.375 4.399 0 40 EIAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)oc12 223193725 WSQVCPINGUSJDE-CYBMUJFWSA-N 335.403 4.421 0 40 EIAB CCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1OC 223679609 VHXUDTOZDQCTOO-UHFFFAOYSA-N 339.844 4.020 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)cc1F 223831510 OKZGJNBCGJIWLP-UHFFFAOYSA-N 335.806 4.411 0 40 EIAB CC[C@@H](CNC(=S)Nc1cccc(OC)c1)Cc1ccccc1 225630018 HMBIFTNHGKNZOL-OAHLLOKOSA-N 328.481 4.251 0 40 EIAB FC(F)(F)c1ccc(NC(=S)NCCCc2ccco2)cc1 225805030 OGWZGIJYVPPPJQ-UHFFFAOYSA-N 328.359 4.218 0 40 EIAB Cc1occc1C(=O)NCCCNc1ccnc2cc(Cl)ccc12 225868852 TZAYBRARVGRAPS-UHFFFAOYSA-N 343.814 4.022 0 40 EIAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@@H](CCCC(=O)O)C2 256052163 MDCSMFHCURAADY-AWEZNQCLSA-N 333.428 4.164 0 40 EIAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1ncc(-c2ccc(Cl)cc2)o1 530179845 ODHVLQUCZTXYHS-VXGBXAGGSA-N 348.830 4.069 0 40 EIAB O=C(NC1CCCCC1)c1ncoc1-c1cccc(C(F)(F)F)c1 542189703 WXIZOTOZZGUBKP-UHFFFAOYSA-N 338.329 4.423 0 40 EIAB O=C(c1cc2ccccc2s1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149075 UMBBZCDVZUOJBN-QGZVFWFLSA-N 349.455 4.466 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 313614 OAIMBCNIHVOSTO-MDZDMXLPSA-N 347.330 4.242 0 40 EIAB O=c1oc(-c2ccccc2Br)nc2sc3c(c12)CCC3 501497 NKCAQJGMPKPLAK-UHFFFAOYSA-N 348.221 4.168 0 40 EIAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccco3)ccc12 521369 HVNZSHBWGBEEKF-UHFFFAOYSA-N 335.388 4.391 0 40 EIAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNc2ccccc2)CCCC1 571474 VUIDSLGOAMDLLG-SFHVURJKSA-N 334.463 4.302 0 40 EIAB CC(=O)Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 1387556 UMADHPLICRGBIK-UHFFFAOYSA-N 347.296 4.399 0 40 EIAB S=C(c1ccc(Br)cc1)N1CCc2ccccc2C1 1441860 XJITUKXZWNQZBA-UHFFFAOYSA-N 332.266 4.183 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2ccc(F)cc2)c1 2759962 RFKRWGHJULNSNJ-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc2c(s1)CCC2 3432692 NNNYKSDGAKKJSY-UHFFFAOYSA-N 346.540 4.155 0 40 EIAB CC(C)Sc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 4086617 ZTJPRAAGPPTAKF-UHFFFAOYSA-N 347.387 4.310 0 40 EIAB CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cc(OCC)c1OCC 6328725 TVOLYDLSHNAQBN-ZBFHGGJFSA-N 349.471 4.191 0 40 EIAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 6638929 YDTGXDPVOVASKX-SCLBCKFNSA-N 328.843 4.334 0 40 EIAB Cc1cccc(OCCC(=O)Nc2nc3ccc(F)cc3s2)c1 6832416 HZYWMFFGHGFXSU-UHFFFAOYSA-N 330.384 4.151 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc2nc(C)sc2c1 7242061 NGEZEHWKXVQUQS-NSHDSACASA-N 341.436 4.052 0 40 EIAB Cc1csc(SCC(=O)Nc2ccccc2SC(F)F)n1 8744671 RVQDIJSMRAKFSC-UHFFFAOYSA-N 346.449 4.497 0 40 EIAB CC(C)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 9315742 CSCVVVQIICUDAI-UHFFFAOYSA-N 326.421 4.107 0 40 EIAB CC(=O)Nc1ccc(SCc2cc(Cl)c3c(c2)OCCO3)cc1 9503316 YDBCSYSZTUPYBE-UHFFFAOYSA-N 349.839 4.362 0 40 EIAB Cc1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694927 HDQGOLHQRSRDHU-UHFFFAOYSA-N 330.236 4.244 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)c(C)c1 10543894 GDUCVPHCRVZASP-KRWDZBQOSA-N 331.481 4.268 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCCOC1CCCCC1 11355772 IOCCWRYNOWGUAA-UHFFFAOYSA-N 325.452 4.238 0 40 EIAB CCCCOc1ccc(CN2C(=O)C(=O)c3cc(C)cc(C)c32)cc1 11692651 FDBNUPUAWUNEMJ-UHFFFAOYSA-N 337.419 4.212 0 40 EIAB CC[C@H]1c2ccc(C)n2CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C 12116945 VVZDKTFKSMTAMP-KRWDZBQOSA-N 348.450 4.102 0 40 EIAB COC(=O)c1ccc(CSc2nccc(-c3ccccc3)n2)cc1 12138998 YUQUTHHHCIMVCU-UHFFFAOYSA-N 336.416 4.223 0 40 EIAB Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](C)C2 12653611 PPISIGQOAHKBEF-HNNXBMFYSA-N 349.478 4.009 0 40 EIAB CCc1ccc([C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1 12981678 CELPHEWNUJJVSS-HXUWFJFHSA-N 348.446 4.218 0 40 EIAB O=C(COc1ccccc1)OCc1cc(-c2cc3ccccc3o2)on1 16838672 YVDGHZRQHWVQHW-UHFFFAOYSA-N 349.342 4.210 0 40 EIAB CCCCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 18107040 SCYGGCDCGJZWAB-OALUTQOASA-N 341.451 4.491 0 40 EIAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3)n2)c1 19294038 XYYRSCADMYJTTE-QGZVFWFLSA-N 349.413 4.236 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)c(C)c1 20035015 VVKCFHRFWCASRX-AWEZNQCLSA-N 337.872 4.137 0 40 EIAB Cc1ccc(COc2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)cc1 20244059 MRPLLQJKSZXREV-NRFANRHFSA-N 344.414 4.428 0 40 EIAB Clc1ccc([C@@H](Cc2ccccc2)N[C@H]2CN3CCC2CC3)cc1 20358203 MQPKSHNJHJHMPA-RTWAWAEBSA-N 340.898 4.308 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H]2Cc3ccccc3S2)c(C)c1 21403280 XAPLPVWPFCTSBH-LJQANCHMSA-N 325.477 4.069 0 40 EIAB Cc1csc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)n1 22991783 XPVBKFBLYDPHCU-UHFFFAOYSA-N 344.465 4.203 0 40 EIAB C[C@H](CC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 23383227 PSBBIGRCDGJQLE-VGSWGCGISA-N 337.463 4.152 0 40 EIAB CCc1cccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)c1 24368745 QUWGHINETYOHKV-UHFFFAOYSA-N 338.329 4.198 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cc1 27396455 KLNCXRCAGCYRSW-MRXNPFEDSA-N 327.449 4.223 0 40 EIAB Cn1c(NC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 27924075 CXBPCZJSKNZNRM-UHFFFAOYSA-N 334.301 4.236 0 40 EIAB CCc1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 30850329 UEHLLMWHYLPEKX-CYBMUJFWSA-N 345.464 4.386 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C 31073699 NUCDAUJKXVEABC-DLBZAZTESA-N 342.483 4.392 0 40 EIAB Cc1ccc(C)c(-n2ncc3c(NCc4ccc(F)cc4)ncnc32)c1 32620482 RHMKDBOGCYLAPC-UHFFFAOYSA-N 347.397 4.184 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1 32860425 RCOYFBUOYMZCTO-UHFFFAOYSA-N 328.224 4.066 0 40 EIAB CC(C)C[C@H](CN(C)C)NC(=O)Nc1ccc(Cl)c(Cl)c1 32934683 RBVXJILMPRYVMM-GFCCVEGCSA-N 332.275 4.091 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)C1=Cc2ccccc2OC1 36727581 FHWZABFYEIZWDJ-UHFFFAOYSA-N 334.419 4.010 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 38849591 ACCNFICNKCQSKU-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB COc1cc(C)c(NC(=O)NCCc2ccc(Cl)cc2)cc1OC 40103473 IIEBWJYFFINLOP-UHFFFAOYSA-N 348.830 4.030 0 40 EIAB CCn1c(C(=O)Nc2ccc(-n3cccn3)cc2)cc2sccc21 40786541 TWLVWXOBMMZOIM-UHFFFAOYSA-N 336.420 4.161 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2c(C)cc(N)cc2C)c(Cl)c1 45890354 FZJUAFICGOONTD-UHFFFAOYSA-N 332.831 4.173 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N[C@@H](C)c1ccccn1 48333956 QDNRFTQKNYYLPN-NSHDSACASA-N 334.217 4.035 0 40 EIAB Fc1ccccc1-c1nnc2ccc(N[C@@H]3CCc4ccccc43)nn12 57136735 WRHMGZOXLMNNRE-QGZVFWFLSA-N 345.381 4.030 0 40 EIAB Cc1cn2cc(NC(=O)c3ccc(SC(C)C)cc3)ccc2n1 58305306 AYIRWOUCXUAXRE-UHFFFAOYSA-N 325.437 4.396 0 40 EIAB COc1cc(C(=O)NC2CCCCCC2)ccc1OC1CCCC1 58369897 QEJOBAQTYUQLBN-UHFFFAOYSA-N 331.456 4.469 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H](CSc2nc3ccccc3[nH]2)C1 60379244 QLTWCGSGXXFCIN-ZDUSSCGKSA-N 347.484 4.302 0 40 EIAB CCC[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 62640043 BALWLJHUOWKFRV-LBPRGKRZSA-N 340.261 4.197 0 40 EIAB FC(F)(F)Cn1c(SC2CCCCC2)nnc1-c1ccncc1 64369313 VRVLLCVFWIYHGH-UHFFFAOYSA-N 342.390 4.327 0 40 EIAB C=Cc1ccc(COc2cc(C(=O)OC)nc3ccc(F)cc23)cc1 65033356 IOLKCNPVRUUMAO-UHFFFAOYSA-N 337.350 4.383 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(Br)s1 71282336 MALXIBOXQREVQK-MRVPVSSYSA-N 340.246 4.412 0 40 EIAB Fc1cc(F)cc(NC(=S)Nc2cccc(CN3CCCC3)c2)c1 71760978 IDTKBMZFVBHSOF-UHFFFAOYSA-N 347.434 4.370 0 40 EIAB O=C(CC[C@H]1CCCO1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 71888328 WEWKFYZOBUMLEA-VQIMIIECSA-N 326.440 4.181 0 40 EIAB CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H](C)c1cccnc1 71908733 YRJDPMNSUXAVLD-MRXNPFEDSA-N 349.434 4.279 0 40 EIAB Cc1cc(C(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)[nH]n1 72295895 XOZVZUPQMJNKSF-UHFFFAOYSA-N 346.312 4.051 0 40 EIAB Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)C2)n1 72298731 VUTUWMYMQLCZQA-BMFZPTHFSA-N 344.455 4.100 0 40 EIAB Cc1nc(C(=O)NCCc2c[nH]c3ccccc23)c(C(C)C)s1 72325839 CHCSUHJWMFDLFG-UHFFFAOYSA-N 327.453 4.029 0 40 EIAB biogenic CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(Cl)cc1C 72414367 QGEKUZUXLGWZSI-UHFFFAOYSA-N 337.872 4.480 0 40 EIAB CSc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1 75323752 YQQXBIRWMWDEKB-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB Cc1cccc(OCc2nnc(SCc3ccccc3F)o2)c1 78868528 KQSGTJMPTSCTIZ-UHFFFAOYSA-N 330.384 4.388 0 40 EIAB C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F 79029626 NVTCGDWNNCBRNZ-ZDUSSCGKSA-N 330.378 4.260 0 40 EIAB Cc1cnc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cn1 84258330 OEMDDGLGYHAGIJ-RDTXWAMCSA-N 339.439 4.133 0 40 EIAB CC(C)Sc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1 92379337 MFLGOUAUGZUNCD-UHFFFAOYSA-N 338.436 4.020 0 40 EIAB COc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1C 95097162 VKWUHJXLXKIOAA-UHFFFAOYSA-N 339.416 4.421 0 40 EIAB c1cc(CNc2cccc(N3CCOCC3)c2)cc(-c2ccncc2)c1 95428578 WNHJHYITZOTNOD-UHFFFAOYSA-N 345.446 4.197 0 40 EIAB COc1cccc(F)c1[C@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 96478593 KQVKRGFXFMVTSU-OLZOCXBDSA-N 330.403 4.205 0 40 EIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100190171 CUZYYBBWGOTCTF-OBVPDXSSSA-N 343.442 4.279 0 40 EIAB COc1cccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1 211506070 ZSEBUSKGJUEDIC-GDNBJRDFSA-N 327.361 4.054 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCS[C@H](c2cccs2)CC1 219487389 OJHYWLUXNYURQS-INIZCTEOSA-N 335.469 4.137 0 40 EIAB CCSc1ccccc1C(=O)N[C@@H](C)COc1ccccc1C 219649147 IMOSHZKNZRFHGA-HNNXBMFYSA-N 329.465 4.304 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 223099271 BGRBIZKSXYYGNE-UHFFFAOYSA-N 347.480 4.455 0 40 EIAB Cc1cccc(CS(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c1 224169525 SMJJXEGZLHPQBL-UHFFFAOYSA-N 337.444 4.189 0 40 EIAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NC(C)(C)C)cc1 225455119 WHTVERDORQWDFK-UHFFFAOYSA-N 341.480 4.332 0 40 EIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cc2ccccc2s1 225600474 UVIWKXNAJWLBOK-ZDUSSCGKSA-N 337.444 4.197 0 40 EIAB CCOc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 225811814 PPFJIPATIXUHTN-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c(C)n1 225913128 AGGXVPBRCHMGSS-LJQANCHMSA-N 334.460 4.103 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 225989499 OBAOTMNTLIUXAU-UHFFFAOYSA-N 337.419 4.314 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1 226036723 IXVNEFIWWOUOIY-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB COC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 226256436 OMYYNIVRNZHTNA-QPJJXVBHSA-N 325.133 4.034 0 40 EIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4)OCC[C@@]31C2 257246622 IUYUEBMWXWLSRW-BKZNIZDZSA-N 327.468 4.014 0 40 EIAB Cc1cc(OCC(=O)Nc2cccc3ccncc23)ccc1Cl 530796985 GUIBRPLOVJNRHN-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cn2cc(C)ccc2n1 560048081 IWSDPDMUPQLUGQ-KUHUBIRLSA-N 343.858 4.162 0 40 EIAB O=C(c1ccc(OC(F)(F)F)c(F)c1)C(Cl)(Cl)Cl 575360742 LTIARDRKEIDEIV-UHFFFAOYSA-N 325.472 4.277 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)[C@@H](C)Oc1ccccc1 575620766 LZOYOSMABYTEKZ-HUUCEWRRSA-N 339.460 4.416 0 40 EIAB Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCc3c(C)cccc32)cc1 607823943 LTPKNBRPJXJTRW-GOSISDBHSA-N 332.403 4.376 0 40 EIAB O=C1c2ccccc2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 255108 UMHZNKJZMMBAEG-UHFFFAOYSA-N 325.673 4.159 0 40 EIAB O=c1oc2cc(O)ccc2cc1-c1csc(Nc2ccccc2)n1 273812 SMJAIKLLIPKQPL-UHFFFAOYSA-N 336.372 4.366 0 40 EIAB COc1cccc(-c2cc(C(=O)NC(C)(C)C)c3ccccc3n2)c1 483888 FUSQZVHVNAZJBC-UHFFFAOYSA-N 334.419 4.439 0 40 EIAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCCCCC1 1460368 GRTMUDLXPQUWLV-UHFFFAOYSA-N 331.419 4.313 0 40 EIAB Cc1cc2c(cc1C)N[C@H]1C(=O)[C@H](c3ccccc3Cl)OC1=N2 1588551 ZAXPPBWSPNFTPL-RDJZCZTQSA-N 326.783 4.122 0 40 EIAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1C 2126091 NHCMPSHDJPGSSQ-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB biogenic CCOC(=O)CCCCCCC(=O)c1cc(F)c(F)c(F)c1F 2580530 YVULSTKNJSESHF-UHFFFAOYSA-N 334.309 4.329 0 40 EIAB COc1ccc(-c2nnc(S[C@H](C(C)=O)c3ccccc3)o2)cc1 3437103 NARWSNJHJDQJDZ-MRXNPFEDSA-N 340.404 4.168 0 40 EIAB Cc1ccc(/C=C/c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1 4060007 MLAWQUOXQLKZAF-ZHACJKMWSA-N 336.822 4.424 0 40 EIAB CCc1ccc2nc(SCC(=O)NCc3ccco3)c(C)cc2c1 4127954 QWJPPXANMANJFY-UHFFFAOYSA-N 340.448 4.107 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@H](O)COc1ccccc1Cl 4317319 ZRALWSXXWMBLDO-AWEZNQCLSA-N 325.880 4.123 0 40 EIAB Cc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1 4584509 KFHUZCNXMYWSBR-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C(C)C 5308160 BICITTRPXQDUNY-UHFFFAOYSA-N 345.464 4.276 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 5440502 UIMQYLGKPUMOIJ-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O)s1 5570281 ZCFXJXOEDBZELJ-UHFFFAOYSA-N 340.404 4.189 0 40 EIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O 5875185 NWDNXVPTAWHZDO-MLDYKZIASA-N 326.421 4.312 0 40 EIAB Clc1ccc(OCCSc2nnc3[nH]c4ccccc4n23)cc1 6506936 CNKSTGFXCZKNDC-UHFFFAOYSA-N 344.827 4.035 0 40 EIAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)OCCO4)c2cc1C 6552284 XFICGMWXERIWTH-UHFFFAOYSA-N 337.375 4.002 0 40 EIAB C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nc2ccccc2[nH]1 7638770 HORPLUWYGRFJSH-NSHDSACASA-N 329.400 4.135 0 40 EIAB COc1ccccc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 7737496 AIFJIKQLSKOJOS-SFHVURJKSA-N 341.407 4.415 0 40 EIAB CCOc1cc2ccccc2cc1C(=O)Nc1nnc(C2CC2)s1 9336028 PAJYLDIJINSBCB-UHFFFAOYSA-N 339.420 4.220 0 40 EIAB Fc1ccc(OCc2nnc(-c3ccc(Br)cc3)o2)cc1 9483429 GYHORAIQAKSATO-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB CCc1ccc(CCC(=O)NCCSCc2ccccc2)cc1 10338215 GLXADXVBAHZOGU-UHFFFAOYSA-N 327.493 4.231 0 40 EIAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C 10544492 BQWFICICASYZJM-MRXNPFEDSA-N 333.435 4.200 0 40 EIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(Cl)cc3)oc2c1 11914646 UACORUIYCGNCGK-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)nc1 12552191 URPFIUOZTLKYMB-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)cs2)cc1 12679865 MBYFRSPOTJEJHZ-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB Cc1cccc2sc(NC(=O)CCC(=O)c3ccc(F)cc3)nc12 12794924 XGYKCNAKDGZADQ-UHFFFAOYSA-N 342.395 4.345 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(F)cc1F 12801723 HLVHNQYKVPGDGE-UHFFFAOYSA-N 334.347 4.171 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 14093690 DRXIYHDTICJJFS-GFCCVEGCSA-N 343.408 4.066 0 40 EIAB Cc1cccc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 16840056 KKKRQMCQCZAOIW-UHFFFAOYSA-N 343.430 4.137 0 40 EIAB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N=C3O)o2)cc1 17179808 YFJDSQQSNYMVOP-JYRVWZFOSA-N 345.401 4.062 0 40 EIAB c1ccc(-n2c(SCc3ccccn3)nnc2-c2ccncc2)cc1 18196132 PCLZVCLROYHVSG-UHFFFAOYSA-N 345.431 4.017 0 40 EIAB COc1ccccc1OC(=O)c1sc(-c2ccsc2)nc1C 18943657 ZJPLUCAXEVQPPN-UHFFFAOYSA-N 331.418 4.408 0 40 EIAB Cc1sc2c(C3CCNCC3)nc(Nc3cccc(F)c3)n2c1C 19561820 JGOOBOPJDLTVRH-UHFFFAOYSA-N 344.459 4.362 0 40 EIAB OC1=Nc2n[nH]cc2[C@H](c2ccc(OC3CCCC3)cc2)SC1 20734954 YUJVXOQZXOIEDH-INIZCTEOSA-N 329.425 4.155 0 40 EIAB CNCC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1 22060783 MHWRJCBZOCBFBD-INIZCTEOSA-N 343.448 4.345 0 40 EIAB in-vitro C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCOCc2ccccc2)o1 25840508 BYEDQWSWWKKPTJ-QIFITFDGSA-N 339.435 4.139 0 40 EIAB CN1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)C1 30029041 FPKIEXRTBQQQMG-KRWDZBQOSA-N 349.261 4.122 0 40 EIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccnc1 31903964 WBAODYRROXIURH-UHFFFAOYSA-N 348.468 4.068 0 40 EIAB O=C1c2ccc3ccccc3c2CC[C@@H]1[C@H]1NCCc2ccccc21 31938400 FIWNZTBJFYHZIL-YADHBBJMSA-N 327.427 4.472 0 40 EIAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1F 32930151 VDYYRKWCWTWJAJ-UHFFFAOYSA-N 333.231 4.053 0 40 EIAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccccn1 32988556 AGDASEAGGAMKFU-MRXNPFEDSA-N 336.460 4.417 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccc(F)c(F)c2)C1 36366904 JNRKIXZJGDJCFI-NSHDSACASA-N 343.308 4.413 0 40 EIAB CSc1cccc2sc(NC(=O)c3sc(C)nc3C)nc12 36704876 SIHPODFEXOHSAL-UHFFFAOYSA-N 335.479 4.344 0 40 EIAB Cc1cc(NC(=O)N2CCCCCCC2)n(Cc2ccccc2)n1 44075739 KQCOKPQURNARQQ-UHFFFAOYSA-N 326.444 4.038 0 40 EIAB C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 46151899 KPJUWFOQXSJFBQ-ZDUSSCGKSA-N 345.395 4.157 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(NN)sc3c2)cc1 57351209 NNARLUMMPXPPIC-UHFFFAOYSA-N 340.452 4.132 0 40 EIAB Cc1cc2nc(-c3ccc(I)cc3)[nH]c2cc1C 57797443 VHGLLCLVFPBVNR-UHFFFAOYSA-N 348.187 4.451 0 40 EIAB Cc1ccccc1-c1noc(CSCCOc2ccccc2)n1 58031159 ATGNXFFEKVNOLS-UHFFFAOYSA-N 326.421 4.357 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1c(F)cccc1Cl 61226446 NLJQZWQEVVBEBN-UHFFFAOYSA-N 346.833 4.005 0 40 EIAB CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 69185364 MSNMKSNVRZFTBG-MRXNPFEDSA-N 326.396 4.122 0 40 EIAB Cc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 71894102 RMJZIJPGSPGOSP-QWRGUYRKSA-N 325.195 4.340 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C(=O)NCc1ccncc1)C1CC1 71913569 VPLTUAKSMGHSLB-CYBMUJFWSA-N 329.831 4.170 0 40 EIAB CC(C)Oc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72211894 CTDAEPBHMRTHGQ-SFHVURJKSA-N 340.423 4.343 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 72380265 VNJSZWPBWFNXRR-SFHVURJKSA-N 341.430 4.460 0 40 EIAB O=C(NCC[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 85436445 JXZBTCPWADFZRD-OAQYLSRUSA-N 331.415 4.207 0 40 EIAB Cc1ccc(C)c(C(=O)c2ccccc2CN2CCSCC2)c1 85651662 TWMPZBLZQPZLFG-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB Fc1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193792 BDGUCCHSSIDEDS-UHFFFAOYSA-N 336.351 4.405 0 40 EIAB COc1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193809 MXUCSJTXDJHXCG-UHFFFAOYSA-N 348.387 4.275 0 40 EIAB C[S@](=O)(=NC(=O)C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1 100016339 DIZXDEQHMOLMDT-GOSISDBHSA-N 347.050 4.209 0 40 EIAB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 102675412 FLJHVSOTFMLWBQ-CQSZACIVSA-N 346.843 4.325 0 40 EIAB CC(C)c1noc([C@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 192753537 DKSRRGLLRSZUNQ-ZOBUZTSGSA-N 329.444 4.012 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC)cc2OC)cc1 222872814 SWZSFQFZYZQPCI-SFHVURJKSA-N 343.423 4.062 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC2CCCCC2)cn1 224038462 MJMXWHMMCHHGPS-CQSZACIVSA-N 332.517 4.080 0 40 EIAB COc1cccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225091474 ZDXAIGCSNVBWHW-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB COc1ccc(CCCNC(=S)Nc2ccc(C)c(C)c2)cc1 225555624 QUZLBBIBODGHIE-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c2cccnc12 225894531 DLKNDDJVEPDCBZ-HXUWFJFHSA-N 344.455 4.413 0 40 EIAB Cc1cc(NC(=O)c2cccc(Cl)c2)cc(Br)c1O 226242859 CRFQMXLUWPPSHG-UHFFFAOYSA-N 340.604 4.369 0 40 EIAB CCN(C(=O)c1ccc(-c2ccc(OC)c(N)c2)o1)c1ccccc1 226304133 QQNHVGWEMLMTER-UHFFFAOYSA-N 336.391 4.204 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(SC)c1 409237789 JMGWQVSDRZELIH-ZHACJKMWSA-N 329.421 4.078 0 40 EIAB CC(C)c1noc(CCC(=O)N2CCCCc3cc(Cl)ccc32)n1 622960505 RROUIDMFMBGYBM-UHFFFAOYSA-N 347.846 4.149 0 40 EIAB Cc1nccn1-c1cc(NC(c2ccccc2)c2ccccc2)ncn1 1889011407 BXSWNEVPGYRLEF-UHFFFAOYSA-N 341.418 4.172 0 40 EIAB Cc1ccc(C(O)(c2ccc(C)c(C)c2)[C@H]2CN3CCC2CC3)cc1C 1247370 AIEOARPRTKSOKM-QHCPKHFHSA-N 349.518 4.498 0 40 EIAB CC(C)=CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 2393860 DDTPGTWKFAPXJW-LBPRGKRZSA-N 341.477 4.350 0 40 EIAB O=C(CSc1nnc(-c2cccs2)o1)c1c[nH]c2ccccc12 2619605 RZBNRIDKYNHXFE-UHFFFAOYSA-N 341.417 4.254 0 40 EIAB O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)cc1F 2648930 ODEBTBVELITPKG-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1 2738973 SHBNGDAPAJYZPQ-UHFFFAOYSA-N 339.222 4.495 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 3515723 RMLGJHHJFORVMO-ZDUSSCGKSA-N 329.371 4.135 0 40 EIAB O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccccc1 3906444 GQNFXWCQPRGZAI-UHFFFAOYSA-N 331.350 4.393 0 40 EIAB CCCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccco1 4861113 XNRKPAYQZCPQBB-UHFFFAOYSA-N 341.436 4.232 0 40 EIAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2c(c1)OCO2 5936836 BBIUZWCVLFQNSO-UHFFFAOYSA-N 332.359 4.411 0 40 EIAB O=C(CCOc1cccc(Br)c1)NC1CCCCCC1 5937500 NVJCHJDGVPYXJE-UHFFFAOYSA-N 340.261 4.057 0 40 EIAB COC(=O)c1ccc(OCc2cc3ccccc3nc2Cl)cc1 7339633 OZQJOVBUVHFWLK-UHFFFAOYSA-N 327.767 4.254 0 40 EIAB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccncc1 7989585 IGSNTKPWBYNBQM-UHFFFAOYSA-N 346.415 4.361 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccccc2)no1 8612358 XNLAFQAUZSJWLR-MRXNPFEDSA-N 340.354 4.277 0 40 EIAB CC[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1 8940319 PLTVFEMZDKEMTL-OAHLLOKOSA-N 339.420 4.246 0 40 EIAB CCc1nnc(CSc2nnc(Nc3cccc(C)c3C)s2)o1 9368083 FAIKUGDTYXVLDF-UHFFFAOYSA-N 347.469 4.136 0 40 EIAB O=C1CCCN1c1ccc(-c2csc(NCc3ccco3)n2)cc1 9690013 AERIHSWFXFRGBK-UHFFFAOYSA-N 339.420 4.142 0 40 EIAB Cc1cc([C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c(C)s1 12330480 SVUGMUSLHKKAKT-IBGZPJMESA-N 331.456 4.327 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccc(F)cc1Br 12615879 LMLFEXBPYFZCIU-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(Br)cc1 12767504 OXXFXIMUEZHSMI-HNNXBMFYSA-N 348.240 4.339 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1 12875424 RPCPROBSGWBYLN-ZDUSSCGKSA-N 341.382 4.150 0 40 EIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CSC(F)F)o1 12979170 ODKMZMWZEJICFE-UHFFFAOYSA-N 341.423 4.434 0 40 EIAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc(Cl)c1 13040365 KMIADRFBVWEULS-UHFFFAOYSA-N 326.827 4.068 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc4cccnc34)cc2)n1 14517515 UQKFNRDFGYVNEQ-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cc1ccc(C(=O)CSc2nc(/C=C/c3cccs3)n[nH]2)s1 14809608 CKNGWORKQPTJPB-FNORWQNLSA-N 347.490 4.382 0 40 EIAB Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)nc2O)cc1 16777196 ZFNFPSBRNQEECN-UHFFFAOYSA-N 343.839 4.498 0 40 EIAB Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 19735991 DHEJDETZFHTBPS-UHFFFAOYSA-N 339.222 4.373 0 40 EIAB O=C(c1cccnc1Cl)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20744329 LJTGVQMMQLZWKJ-UHFFFAOYSA-N 346.217 4.068 0 40 EIAB Cc1ccccc1NC(=O)Cn1c(-c2ccncc2)nc2ccccc21 23144230 RKBPPLIRFGUQQQ-UHFFFAOYSA-N 342.402 4.045 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(C)o3)cs2)cc1 23496534 VGNRMAYYEZWUKA-UHFFFAOYSA-N 340.448 4.221 0 40 EIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccccc1Cl 23510087 UWWFXYNGZDLHAM-UHFFFAOYSA-N 343.732 4.211 0 40 EIAB Cc1c(Cl)cccc1NCC(=O)N[C@@H](C)c1ccc(F)cc1F 24215109 RCWUZTLAPHASGP-NSHDSACASA-N 338.785 4.216 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)cc2c1 27467353 RDDIMNDXTIYGMR-UHFFFAOYSA-N 334.375 4.007 0 40 EIAB C[C@H](NC(=O)COc1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 27676239 BGFYOMNOOFYDNV-PGBBXINNSA-N 349.421 4.065 0 40 EIAB CCCC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 28048105 OJXQYQIJCBKZIR-IBGZPJMESA-N 342.826 4.010 0 40 EIAB CC(=O)c1c[nH]c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 31336440 XTAFMMWYTTVTGZ-SECBINFHSA-N 339.222 4.357 0 40 EIAB Cc1nc(CSCCC(=O)NCC(C)(C)c2ccccc2)cs1 32474475 WGKULNNESZRBJB-UHFFFAOYSA-N 348.537 4.169 0 40 EIAB Cc1nc2ccc(NC(=O)CC3(CC(=O)O)CCCCC3)cc2s1 32496870 CKBLHGBDPAMCJN-UHFFFAOYSA-N 346.452 4.359 0 40 EIAB Clc1ncccc1-c1nc(-c2ccccc2Br)no1 34797738 VUXBUEFKQNVVQM-UHFFFAOYSA-N 336.576 4.215 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 36760829 JIYVTFVWZQXOAQ-INIZCTEOSA-N 336.410 4.379 0 40 EIAB Cc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)s1 40285824 ISBIEVNJUBMTGT-UHFFFAOYSA-N 342.468 4.029 0 40 EIAB CC(C)Oc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 49225633 WYQJXSVRAKOJFU-UHFFFAOYSA-N 345.443 4.116 0 40 EIAB CCn1c(CN[C@H](C)c2ccc(OC)c(F)c2)nc2ccccc21 54041188 MAISWIQCYUHBLO-CYBMUJFWSA-N 327.403 4.055 0 40 EIAB CC(C)C[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cccs1 56134324 IZHLEPXDJPEJRM-HNNXBMFYSA-N 340.448 4.107 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1 57340578 JOEFRVOHJJPWNR-UHFFFAOYSA-N 325.437 4.428 0 40 EIAB CCCc1nc(Nc2cccc(C(C)=O)c2)c2c(n1)c(C)nn2CC 57355851 DYVQAOOGVAYZAX-UHFFFAOYSA-N 337.427 4.053 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)NCc2cccc(C(F)(F)F)c2)cc1 58161294 LLYXFXHPGPYIAR-ZDUSSCGKSA-N 336.357 4.131 0 40 EIAB Cc1nnc([C@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)o1 58180411 ZJJFITDBRDHMBX-LBPRGKRZSA-N 340.452 4.296 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(F)c(F)cc1Cl 58283851 GYCCSCRVWCWTOE-UHFFFAOYSA-N 349.724 4.229 0 40 EIAB COc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1Br 59461394 LTTHKUWPSIQAKI-HNNXBMFYSA-N 349.253 4.155 0 40 EIAB Clc1ccc2oc(C3CCN(Cc4cscn4)CC3)nc2c1 69349488 VESKZKLYGGNWGC-UHFFFAOYSA-N 333.844 4.317 0 40 EIAB CCOC1=C(CN(C)C)[C@@H](c2ccc(F)cc2)Oc2ccccc21 71405273 SMZKINMCPJGVHA-LJQANCHMSA-N 327.399 4.269 0 40 EIAB Cc1csc([C@@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)n1 74669517 LRWBISHARUHIIO-HNNXBMFYSA-N 345.443 4.030 0 40 EIAB O=C(Nc1csc(N2CCCCC2)n1)[C@@H]1C[C@H]1c1cccc(F)c1 76094663 PDSDWDRKVRAREE-LSDHHAIUSA-N 345.443 4.015 0 40 EIAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 78182763 YNVVKLXVRRYOMU-WOJBJXKFSA-N 329.484 4.330 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 84023039 PMEOLXJHEQITJR-JTQLQIEISA-N 347.390 4.245 0 40 EIAB Cc1cc(N2CCCC[C@H]2c2ccc(C(C)C)cc2)n2ncnc2n1 89598849 UZXBONXWQKKWGK-SFHVURJKSA-N 335.455 4.288 0 40 EIAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3cc[nH]n3)c2)n1 91695731 MFJUVESIRZKFCP-UHFFFAOYSA-N 332.329 4.224 0 40 EIAB Cc1cnc([C@@H](NC(=O)N(C2CC2)[C@@H](C)c2ccco2)C2CC2)s1 95409966 VEBXGJDGAOVGPP-LRDDRELGSA-N 345.468 4.431 0 40 EIAB Cc1ccc(CN2CCC3(CCN(Cc4nccs4)CC3)C2)s1 96046617 VPPGVPSXDKTVOU-UHFFFAOYSA-N 347.553 4.001 0 40 EIAB Cc1cnc([C@@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)s1 96444053 GFPOTYVAUGKFPZ-HNNXBMFYSA-N 347.509 4.338 0 40 EIAB C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccsc1 96476617 BKOJOHJNBHRHKI-NSHDSACASA-N 342.386 4.274 0 40 EIAB COc1ccc([C@H]2OC3=Nc4cc(Cl)ccc4NC3=C2O)cc1 103917027 ZJXAGWNZUXLWJX-MRXNPFEDSA-N 328.755 4.345 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219486884 ZUFJOGQMBZBOQQ-INIZCTEOSA-N 345.398 4.324 0 40 EIAB Cc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1C 225158751 VIWYCAILWNYQEQ-UHFFFAOYSA-N 337.448 4.393 0 40 EIAB CC(C)Oc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 225386006 GGFQWNZRHSTYOC-UHFFFAOYSA-N 339.435 4.161 0 40 EIAB Cc1cccnc1NC(=S)NC(c1ccccc1)c1ccccc1 225520301 WSWXENXCZKMMEP-UHFFFAOYSA-N 333.460 4.466 0 40 EIAB O=C(NCc1ccc(Oc2nccs2)cc1)Nc1cccs1 225647796 LAUZSBWLSVJUHV-UHFFFAOYSA-N 331.422 4.319 0 40 EIAB CO[C@H](CNC(=O)Cc1ccccc1Cl)c1ccc(Cl)s1 225701640 HMUBMSRWAZISHW-GFCCVEGCSA-N 344.263 4.101 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1Cl 226346963 PUDXSRRBTIYPNT-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CCc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1 226763069 RDWUBKPLPZAUTB-UHFFFAOYSA-N 333.229 4.154 0 40 EIAB CCCCOc1ccc(Cl)cc1-c1noc(C2CCNCC2)n1 256054946 YLOMUAUVYXOBTJ-UHFFFAOYSA-N 335.835 4.036 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2c(Cl)cccc2Cl)O[C@@H]2CCC[C@@H]12 257302304 SCKNIJXEQSENLF-CJYSPXJISA-N 328.239 4.128 0 40 EIAB O=C1N[C@@](c2ccccc2)(C(F)(F)F)Sc2nc3ccccc3n21 83932 DOVXOVCWHSYBPS-OAHLLOKOSA-N 349.337 4.115 0 40 EIAB c1ccc2c(c1)ncn2Cc1ccc(Cn2cnc3ccccc32)cc1 157658 WMGPCQXEYQNDLE-UHFFFAOYSA-N 338.414 4.483 0 40 EIAB O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccc1 429901 CZCLEQLRICNVOO-UHFFFAOYSA-N 327.387 4.202 0 40 EIAB Clc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1 544486 OGJOSCPNLKSUJQ-UHFFFAOYSA-N 341.827 4.143 0 40 EIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 1370446 XPZSKTMTRDBTQE-VXKWHMMOSA-N 348.490 4.311 0 40 EIAB CC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 2092812 VLJBAHSCBUFIGT-MJGOQNOKSA-N 335.488 4.496 0 40 EIAB biogenic O=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1F 3263574 IJDHLURYBGMDPM-UHFFFAOYSA-N 347.802 4.153 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1F 3296114 RLRXEGPQXLPLSH-UHFFFAOYSA-N 343.398 4.227 0 40 EIAB COc1ccc([C@H](c2ccc(O)cc2)c2ccccc2C(=O)O)cc1 3850593 LRJHOBISVNWYQP-FQEVSTJZSA-N 334.371 4.279 0 40 EIAB biogenic Cc1ccc(CSC2=NCCN2C(=O)c2c(F)cccc2F)cc1 4120382 KJCUMBOQRKPFTP-UHFFFAOYSA-N 346.402 4.018 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1nc2ccccc2s1 4134629 ZXXVYDWKKWMFAN-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB Oc1nc(Nc2ccccc2Cl)nnc1Cc1ccc(Cl)cc1 4225134 FTYQMPMUONMMNX-UHFFFAOYSA-N 347.205 4.218 0 40 EIAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1cccc(F)c1 4375397 WUAGUXZGQAPQIM-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB O=C([C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCCCC1 4746203 DKAZKQVGVCZXNP-HXUWFJFHSA-N 336.479 4.064 0 40 EIAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 5059335 FNOLLSOSLNDJBQ-UHFFFAOYSA-N 332.827 4.282 0 40 EIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)C1CCCC1 5373931 ZFPSKABZMHFITF-UHFFFAOYSA-N 338.407 4.001 0 40 EIAB C=C1C[C@@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 5383425 JKPFAFOFFYRBDB-WTNOFXFJSA-N 342.479 4.005 0 40 EIAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cccc(F)c1 5703263 BOVSXBQWPZJHAA-IUXPMGMMSA-N 325.383 4.338 0 40 EIAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc21 6328155 URRBDCYUYVQWLD-NSHDSACASA-N 335.234 4.383 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F 6432642 GQDAJRFMXFCNLX-UHFFFAOYSA-N 331.240 4.001 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1 7684296 IBKMJHOIBCZCFT-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB COc1ccc(-c2nnc(SCc3cc(C)ccc3OC)o2)cc1 7826908 VGEFUWKTQHQFCT-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB CC(C)Oc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 7988451 ZFYXHRIUMBAMMH-KRWDZBQOSA-N 327.449 4.441 0 40 EIAB CC[C@H](Nc1ccc(SC(F)F)cc1)C(=O)Nc1cc(C)on1 8720397 DXCULUWTMUJAKH-LBPRGKRZSA-N 341.383 4.127 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc12 10087228 NVBXJDCTBNVGJR-SECBINFHSA-N 333.844 4.088 0 40 EIAB O[C@H](CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 10772016 AZTVNYFLBPYDPA-CQSZACIVSA-N 343.477 4.167 0 40 EIAB Cc1cc(OCC(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl 11207927 ANENFBQWMGUAMW-LJQANCHMSA-N 329.827 4.295 0 40 EIAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCCC1 11614200 OUUUVLDZVIFJLC-UHFFFAOYSA-N 339.501 4.047 0 40 EIAB O=C(O)[C@H](Oc1ccc(Br)cc1Cl)c1ccccc1 11864240 HWJSUJJXYKYGKB-CYBMUJFWSA-N 341.588 4.307 0 40 EIAB Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c(C)c1 12809595 GQCWTHRHXKGFLB-UHFFFAOYSA-N 337.463 4.494 0 40 EIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1COc2ccccc2C1 12914853 QANUZEMOTZVIFQ-NSHDSACASA-N 344.823 4.140 0 40 EIAB C[C@H]1CN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 13095192 ZQCQQFAMDPNHDC-GASCZTMLSA-N 342.464 4.285 0 40 EIAB COc1cc2c(cc1C)/C(=C/CC1(C)C(=O)CCCC1=O)CCC2 16284610 YCIHYOGSODGVTK-XNTDXEJSSA-N 326.436 4.442 0 40 EIAB Cc1cc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc(C(C)C)n1 16454269 VHAWXFYBCVGCLE-HUUCEWRRSA-N 343.496 4.266 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCc2ccccc2C1 17322089 ZADFTLYSRKSSJY-UHFFFAOYSA-N 328.415 4.256 0 40 EIAB CCc1ccccc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 23043075 KMMITGWNYUNLBG-GOSISDBHSA-N 325.408 4.059 0 40 EIAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2s1 29027535 UEVPUHZTEJYJMK-UHFFFAOYSA-N 347.443 4.076 0 40 EIAB O=C(/C=C/c1ccco1)N1Cc2ccccc2[C@H](c2ccccc2)C1 29849830 PBSFOJIWVUODAY-IWGBCORSSA-N 329.399 4.467 0 40 EIAB Cc1cc(C)cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 40042956 OFEXPCCTERNLKC-UHFFFAOYSA-N 331.419 4.109 0 40 EIAB Cc1ccc(CS(=O)(=O)Cc2csc(-c3cccs3)n2)cc1 45321181 AXYALUWRSKOVSH-UHFFFAOYSA-N 349.502 4.295 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 45890062 WVZMTPVKHZQBSS-UHFFFAOYSA-N 340.467 4.455 0 40 EIAB O=C(C=C1CCCCC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 55993069 LUBITMPHFFRJEX-FQEVSTJZSA-N 349.478 4.316 0 40 EIAB COc1ccc(N(C)C(=O)c2ccccc2Nc2ccccc2)cn1 58270695 NJWSIEJFKYFOPI-UHFFFAOYSA-N 333.391 4.110 0 40 EIAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@@H]3C(C)C)cc1 61718887 FSLCBZHHGYAZPA-GFCCVEGCSA-N 345.420 4.204 0 40 EIAB COc1ccc(OC)c(Nc2ccnc3cc(OC)c(OC)cc23)c1 65005238 VPOCFDMKJLGIAU-UHFFFAOYSA-N 340.379 4.013 0 40 EIAB Cc1cccc(NC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 69460711 MZPWVJJAXPBTKB-ICSRJNTNSA-N 335.451 4.143 0 40 EIAB CCNc1nc(Sc2cnc3ccccc3n2)nc2ccccc12 71836362 DTJVDCUMTQMFAO-UHFFFAOYSA-N 333.420 4.156 0 40 EIAB Nc1cc(Cl)c(NC(=O)c2ccc(Br)o2)cc1Cl 72229447 QLEAWAZNXSEDGV-UHFFFAOYSA-N 349.999 4.183 0 40 EIAB CC(C)CN(CC(F)(F)F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 78943198 JPXOTWBGSYDMBZ-UHFFFAOYSA-N 345.409 4.176 0 40 EIAB Cc1cc(C)n2nc(S[C@@H](C)CCSc3ccccc3)nc2n1 79109719 XCALGOWIUNNCET-AWEZNQCLSA-N 344.509 4.404 0 40 EIAB COc1ccc2cc(C(=O)NCc3ccc(-c4ccccc4)o3)[nH]c2c1 83970286 YMTKIEMTFPBWGX-UHFFFAOYSA-N 346.386 4.367 0 40 EIAB CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(Cl)cn1 84109114 SASUYVDWDPUMBT-UHFFFAOYSA-N 332.190 4.213 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)N[C@H](C)Cc1ccccc1F 96011187 MWTFXXJTKXXLBB-CYBMUJFWSA-N 338.382 4.150 0 40 EIAB C[C@@H]1[C@@H](NC(=S)Nc2ccc(OC(F)F)cc2)CCC[C@H]1C 102199831 LIYBYTFQYGQACE-SUNKGSAMSA-N 328.428 4.399 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c(C)c1 113959967 HXWOSRBTFQAMBJ-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 113969758 XDPNRLFVNYKOJJ-FQEVSTJZSA-N 341.451 4.122 0 40 EIAB O=S(=O)(NCc1ccc2ccccc2c1)c1ccc2ccccc2c1 222773168 WAQPOQAGTSEAAX-UHFFFAOYSA-N 347.439 4.472 0 40 EIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C 222903961 VHZLVBGREMEDQO-GJZGRUSLSA-N 331.510 4.080 0 40 EIAB CCOc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1C)C(=O)O 225105050 CRCKWTBYKBNOKZ-LJQANCHMSA-N 328.408 4.085 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C 225244835 MJEZRDHLKBPNIR-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1c(F)cccc1F 225703996 PUOYQEHTWBNSHG-MRXNPFEDSA-N 348.418 4.337 0 40 EIAB COc1cccc(NC(=O)NCCCc2cccc(OC(C)C)c2)c1 225762901 UKCMBPMKVQORLA-UHFFFAOYSA-N 342.439 4.237 0 40 EIAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 248028625 PDHRRNVHIMWYKG-XSYGEPLQSA-N 327.468 4.049 0 40 EIAB CO[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 253473167 RXLVVDOBXORMNE-CYBMUJFWSA-N 335.812 4.265 0 40 EIAB Cc1cccc(C(=O)N2CCC[C@@H](Cc3cncc4ccccc34)C2)n1 257250309 JMABSGKEICUWFT-KRWDZBQOSA-N 345.446 4.033 0 40 EIAB Cc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1 70688 KBTQCSAMDKNHOT-UHFFFAOYSA-N 326.377 4.266 0 40 EIAB FC(F)(F)c1cccc(-c2noc(-c3ccnc(Cl)c3)n2)c1 166695 FAVREIOKTQODAJ-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C(C)C 410499 QMTLFPDPVHHMQJ-UHFFFAOYSA-N 346.500 4.159 0 40 EIAB COc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 530909 HNUCDPOXNDABRN-IAGOWNOFSA-N 340.814 4.086 0 40 EIAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 1000662 JWSSZIITTSORQT-UHFFFAOYSA-N 339.420 4.108 0 40 EIAB CCC[C@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O 2376318 YCUHFIHBHFPYSH-CYBMUJFWSA-N 332.425 4.030 0 40 EIAB C[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 3455887 NAOBXQQJEIURCD-MJGOQNOKSA-N 340.467 4.117 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)s1 4329606 XSYIEEKCTRCKNT-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)cc3)nc12 4330785 VMLNFRXBZLLWDR-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Cc1cc(C)c(-c2cc(C(=O)Nc3c(C)cccc3C)[nH]n2)c(O)c1 5341671 OWSBPLIHPHOWQJ-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB Cc1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 5403469 KDKJFDFQYNBIIB-BQYQJAHWSA-N 343.810 4.462 0 40 EIAB Cc1c(O)ccc2c(CSc3nc4ccccc4o3)cc(=O)oc12 5628560 YBZMSTYZOSKHAG-UHFFFAOYSA-N 339.372 4.241 0 40 EIAB CCCCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC 6308519 VGMAQKAEFCYQGX-UHFFFAOYSA-N 330.384 4.059 0 40 EIAB COc1ccccc1C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 7737497 AIFJIKQLSKOJOS-GOSISDBHSA-N 341.407 4.415 0 40 EIAB COc1cccc(CNC(=O)c2sc(-c3cccs3)nc2C)c1 8331743 BIBMXGRCUNJSQL-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC 8499571 ZFHDHFLGGUALKP-INIZCTEOSA-N 349.814 4.153 0 40 EIAB C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1cccc(Cl)c1 8532153 OTBGQMDBMGVHNO-NSHDSACASA-N 338.785 4.077 0 40 EIAB C[C@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 8714204 YHJZENMMJGTNRL-HNNXBMFYSA-N 345.398 4.223 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1C 8944611 GEIAILPOUXXNQR-MRXNPFEDSA-N 325.408 4.114 0 40 EIAB COc1cccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)c1 9357441 ZQVTYGBPAPHUII-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccc(-n2[nH]c3nccc(-c4ccc(Cl)cc4)c3c2=O)cc1 10157158 YKUHKDQQHDDPOZ-UHFFFAOYSA-N 335.794 4.343 0 40 EIAB CCc1cccc(N[C@@H](c2ccc(Cl)cc2)P(=O)(O)O)c1 12526554 LRKPZJRJIZPTKJ-OAHLLOKOSA-N 325.732 4.191 0 40 EIAB C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 12784947 YLMKJKRDXUETRG-CYBMUJFWSA-N 325.799 4.017 0 40 EIAB CCn1nc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1C 13703396 TVVQTUJTTYRUHA-UHFFFAOYSA-N 328.441 4.197 0 40 EIAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccco1 14257897 AWZOBUHQGDLUHT-VQHVLOKHSA-N 345.358 4.443 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1 18045161 QXINESDBWLTSFM-XPGWFJOJSA-N 347.414 4.489 0 40 EIAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 20458863 MAXCXDVEEXTYPP-AWEZNQCLSA-N 347.842 4.211 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(F)c1 22072195 LQNCTHCYFVZWCQ-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)OCc2nc3ccccc3s2)c1 22525711 JZJSYVDGCWLGJI-CYBMUJFWSA-N 327.405 4.115 0 40 EIAB C[C@@H]1c2cccn2CCN1CCC(=O)Nc1cccc2ccccc12 28889440 IESFBCAGSXPKFT-MRXNPFEDSA-N 333.435 4.047 0 40 EIAB O=C(NC1CCCC1)c1cc(-c2ccccn2)nc2cc(F)ccc12 32106754 SDWPDJKEXHEVJF-UHFFFAOYSA-N 335.382 4.108 0 40 EIAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 32925352 GESYPWRXVSYLTD-UHFFFAOYSA-N 336.313 4.175 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 36613717 DZOVLIZGWYQAIM-QGZVFWFLSA-N 347.418 4.216 0 40 EIAB Cc1cc(OCC[C@H]2CCCNC2)c(Br)c(C)c1Cl 42770256 RLADAOQRUGDCKB-GFCCVEGCSA-N 346.696 4.488 0 40 EIAB c1ccc(Cc2noc(CN3CCC(c4ccccc4)CC3)n2)cc1 48275629 ZEDZHNPBDZMUDY-UHFFFAOYSA-N 333.435 4.040 0 40 EIAB CCCc1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 48302946 NQTQZFCEECYPLY-LJQANCHMSA-N 333.435 4.170 0 40 EIAB Cc1ccc(-c2noc(Cc3nnc(-c4ccc(C)c(C)c4)o3)n2)cc1 49405253 NQXBKMZXKHZNGF-UHFFFAOYSA-N 346.390 4.303 0 40 EIAB CC(C)CCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 49466790 WZTNSUYHOMDNFL-OALUTQOASA-N 337.419 4.098 0 40 EIAB Cc1c(C)c2ccc(NC(=O)c3nc4ccccc4s3)cc2[nH]c1=O 49472418 MQTBTVHVKJIBMR-UHFFFAOYSA-N 349.415 4.007 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2)CC1 49638194 ATGZGMGOQGIPFT-UHFFFAOYSA-N 347.462 4.292 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 57179814 IPGVSFKSAVWSFG-UHFFFAOYSA-N 345.826 4.036 0 40 EIAB Cc1ccc(N)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 57340375 ZUYQJKSBIYLGQC-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1ccccc1NCCC(=O)N1CCCCC[C@H]1c1ccncc1 58261016 GPGZBILOVYJNBV-FQEVSTJZSA-N 337.467 4.336 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]1c1ccsc1 66917621 ARUQKKDBXZGCAJ-KRWDZBQOSA-N 335.432 4.182 0 40 EIAB Cc1ccc2c(CC(=O)Nc3c(C)nn(C(F)F)c3C)coc2c1C 69700400 RQLZLSZQBOYFTC-UHFFFAOYSA-N 347.365 4.439 0 40 EIAB Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 71894101 RMJZIJPGSPGOSP-WDEREUQCSA-N 325.195 4.340 0 40 EIAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(C)c2)cc1 72329111 YCANPVLPOMONSP-UHFFFAOYSA-N 349.434 4.104 0 40 EIAB Cc1cccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1O 75093996 XVRXHWVYCYKVQF-UHFFFAOYSA-N 342.395 4.300 0 40 EIAB CC[C@@H](CCSc1ccccc1)NC(=O)c1cccc(OC)c1 80345885 WVJXHUCBJUUYQQ-INIZCTEOSA-N 329.465 4.386 0 40 EIAB COc1ccc(SCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 85472348 AXWAJRVCKZQQAS-KRWDZBQOSA-N 345.508 4.382 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)CCCc2ccc(O)cc2)s1 95414336 HIMDIRZVBAXRDG-QGZVFWFLSA-N 329.465 4.449 0 40 EIAB CCC[C@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C 95446768 AYUFHFUHWHRCBY-FXAWDEMLSA-N 339.483 4.499 0 40 EIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCC(c2nc3ccccc3o2)CC1 103044167 ONTAGPCVIYKFDO-DJIMGWMZSA-N 338.451 4.360 0 40 EIAB Cc1c(Cl)cccc1N1C(=O)C[C@@H]([C@H](C)c2ccccc2)C1=O 103442216 RWCOEDHENPOZRT-DOMZBBRYSA-N 327.811 4.332 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219288401 MWKRBSBUMOYTTO-WBVHZDCISA-N 339.435 4.181 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 222759478 PWQVXVQXAMWIHT-AWEZNQCLSA-N 331.843 4.490 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSC1CCCC1 223098355 HXJCYEWZFIUMHK-HNNXBMFYSA-N 347.524 4.125 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(Cl)c1 224282691 JGWWMIRQUZTHIJ-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccc(Br)c(Cl)c1 225445984 VKNLUQQUXHYVEF-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB Cc1cc(C(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)c(C)o1 225680679 LXIKUWADJNHYOV-CYBMUJFWSA-N 347.480 4.253 0 40 EIAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 225741483 ZLMKSZADRZESSJ-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C 225852816 BJZBFXZOVCSFNG-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CCCOc1ncc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225901795 NRMXDJWNEYJADJ-UHFFFAOYSA-N 334.460 4.103 0 40 EIAB O=C(c1ccc2ccccc2c1)[C@H](Br)CBr 382694504 KFIQRWIFOJSYLT-GFCCVEGCSA-N 342.030 4.181 0 40 EIAB O=C(CCCCBr)c1cc(Br)cs1 394665426 CKGMSFOKTXQROO-UHFFFAOYSA-N 326.053 4.259 0 40 EIAB Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@H](C)C(C)(C)C 585087497 YIWNSULFNVRYOB-KBXCAEBGSA-N 326.440 4.092 0 40 EIAB Cc1nnc2c(SCc3cc(F)cc(F)c3)nc3ccccc3n12 1775966802 ACLDCGFDXPDHPY-UHFFFAOYSA-N 342.374 4.156 0 40 EIAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(Cl)cc1Cl 55315 NBMXOTSWUFVVAR-VGOFMYFVSA-N 336.149 4.477 0 40 EIAB C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 355336 NHSJKBWBXNSWLY-DOMZBBRYSA-N 338.289 4.323 0 40 EIAB O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl 365161 YGBJUKXYMDSBKM-UHFFFAOYSA-N 343.210 4.259 0 40 EIAB COc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 426637 FXVUVCRBMHFXDD-GFCCVEGCSA-N 328.412 4.087 0 40 EIAB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccnc2ncnn12 1383633 BYCLAFHVJAMNAZ-CYBMUJFWSA-N 334.354 4.070 0 40 EIAB O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 1682347 PLDFCWZNPNWKGF-QFIPXVFZSA-N 330.383 4.397 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCC3)c1 3524302 RRLCPLMXVWLHMY-UHFFFAOYSA-N 346.224 4.199 0 40 EIAB CCOC(=O)[C@@H]1CN(N=O)[C@H](c2ccccc2)C[C@@H]1c1ccccc1 3845408 DPZKOOVUUPQRNK-QRVBRYPASA-N 338.407 4.078 0 40 EIAB biogenic Cc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1 4033066 LBCWOXDNARDELQ-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccccc2F)c1 4120508 PFAVNCGQLBFTCF-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB Cc1ccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 4385649 PLEXPZHVMWKVON-UHFFFAOYSA-N 349.478 4.098 0 40 EIAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(F)cc2)N3)C1 4554042 ZDDJCQPFKWLWQJ-MRXNPFEDSA-N 345.443 4.083 0 40 EIAB Cc1csc(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)n1 7196258 AIFJZLHADXMPCX-UHFFFAOYSA-N 347.465 4.130 0 40 EIAB COc1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1 7369175 KJEGXEMCFACLRF-UHFFFAOYSA-N 346.521 4.223 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(F)ccc2Br)c1 7807424 OSPFKTINQGCRDE-UHFFFAOYSA-N 336.160 4.043 0 40 EIAB COc1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc(OC)c1OC 8403007 XQRWVLYBJVRVPB-BRWVUGGUSA-N 333.472 4.161 0 40 EIAB COc1ccc2oc(C(=O)OCc3nc4ccccc4o3)c(C)c2c1 8572812 GREVAJUVKBNGOK-UHFFFAOYSA-N 337.331 4.248 0 40 EIAB CC[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 11266556 HWWVDTCGWMCXKM-WOJBJXKFSA-N 340.442 4.195 0 40 EIAB CC(C)n1ncc2cc(NC(=O)c3c(F)cccc3Cl)cnc21 12760738 WHBFJNVHBWSCQH-UHFFFAOYSA-N 332.766 4.057 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(C(F)(F)F)c1 12930275 IVAPBJUATDJJDG-UHFFFAOYSA-N 343.308 4.415 0 40 EIAB CC(=O)N(Cc1ccncc1)c1nc2c(C)cc(Cl)cc2s1 13037060 DNVIECCWUXPYHE-UHFFFAOYSA-N 331.828 4.206 0 40 EIAB Cc1ccccc1CS(=O)(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13646778 WPVQVJGQYXKKFN-MRXNPFEDSA-N 345.508 4.473 0 40 EIAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)cc1 13932716 VZXMMYIAVWEKEX-ZDUSSCGKSA-N 330.453 4.142 0 40 EIAB COc1ccc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)cc1 16355078 UMEFTEALBHTOBY-UHFFFAOYSA-N 333.435 4.046 0 40 EIAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 17003563 WGYHVQYXJNPQAA-NLKQXVMISA-N 332.484 4.099 0 40 EIAB CC(C)c1ccc(C(=O)Cn2cc(-c3ccccc3)[n+]3c2CCC3)cc1 17015108 JQSVCVYWJSWBHL-UHFFFAOYSA-N 345.466 4.395 0 40 EIAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3ccccc3)o2)s1 19217756 CXOJDVUZSXHXFM-HNNXBMFYSA-N 325.437 4.444 0 40 EIAB Cc1[nH]c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2c1C 19601301 FEAYCNCDYMXHAH-UHFFFAOYSA-N 344.361 4.316 0 40 EIAB Fc1ccc(Br)cc1CNc1cccc(-c2nnco2)c1 20187107 RQMFPSBGVKETAH-UHFFFAOYSA-N 348.175 4.250 0 40 EIAB CC[C@@H](NC(=O)CSc1ccc(OC)c(OC)c1)c1ccccc1 20451591 KXFLUSQOVHDSMO-MRXNPFEDSA-N 345.464 4.063 0 40 EIAB Fc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222472 XEORSQHNGCVMDU-HXUWFJFHSA-N 335.426 4.238 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29482476 QKPDSNZQERQFIH-GOSISDBHSA-N 328.843 4.206 0 40 EIAB C[C@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)c1cccnc1 47751553 JWPVSOSGWHQPKB-VIFPVBQESA-N 334.206 4.361 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(OC(F)(F)F)cc1 48205351 IJSZXOFIHHIXQM-UHFFFAOYSA-N 348.280 4.493 0 40 EIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(OC(F)F)c1 49547145 WYLQPYDNCHVUBX-GFCCVEGCSA-N 335.354 4.363 0 40 EIAB Clc1cccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)c1 49581194 WCLRDFQNTQADJO-UHFFFAOYSA-N 334.810 4.438 0 40 EIAB Cc1cc(C)n(Cc2cccc(CNc3nc4ccccc4o3)c2)n1 53573300 RLXIQXWEHNJPMD-UHFFFAOYSA-N 332.407 4.302 0 40 EIAB COC(=O)c1cc(Nc2ccc(N(C)C)cc2)c2cccc(C)c2n1 56986969 BKMNHWWFZHHZBT-UHFFFAOYSA-N 335.407 4.139 0 40 EIAB Cc1occc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58210909 LVMSNGFBGRKKCW-UHFFFAOYSA-N 326.377 4.154 0 40 EIAB COc1cc(CN(C)C(=O)Nc2ccccc2C)ccc1SC 58601093 JRCFJWAIADJYMI-UHFFFAOYSA-N 330.453 4.389 0 40 EIAB CCCc1cc(-c2nc(C)c(C(=O)NC3CCCC3)s2)ccn1 71279490 ZWDPJTQROGCYDF-UHFFFAOYSA-N 329.469 4.138 0 40 EIAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1cccc(F)c1 71282195 WEADRSOXAYVIHH-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](O)(C(C)(C)C)C(F)(F)F 72208727 KIDZDHFKDMCSRI-ABAIWWIYSA-N 339.398 4.116 0 40 EIAB CCOC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 81607904 HUOJQGBSXXTOFK-CQSZACIVSA-N 338.407 4.476 0 40 EIAB c1ccc2c(c1)SCC[C@H]2NCc1ccnc(N2CCCC2)c1 95419985 MELBNFFEAWBGOV-QGZVFWFLSA-N 325.481 4.009 0 40 EIAB CC[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ncc(C)s1 95437381 OOHGZGZROIIFDX-LBPRGKRZSA-N 330.375 4.433 0 40 EIAB O=C(CNc1c(F)cc(Cl)cc1Cl)Nc1ccccc1F 95452531 IEZAONDRWOPKOW-UHFFFAOYSA-N 331.149 4.322 0 40 EIAB CC(C)(C)n1/c(=N/C(=O)c2ccc3ccccc3n2)[nH]c2ccccc21 95955793 VXWHYFUFODSBQD-UHFFFAOYSA-N 344.418 4.014 0 40 EIAB Cc1noc(C)c1CNc1nnc(Cc2ccc3ccccc3c2)o1 95992324 ZZSHKDSHRABWBJ-UHFFFAOYSA-N 334.379 4.031 0 40 EIAB CC[C@@](CNC(=O)NCc1ccc(Cl)cc1)(OC)c1ccccc1 96123828 HBXLDVHUMVNUAI-IBGZPJMESA-N 346.858 4.091 0 40 EIAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 216828432 UDBJUFYXSURUGM-UHFFFAOYSA-N 334.799 4.494 0 40 EIAB COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1C 223234847 PJVIPFUCCRKTAU-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB Cc1ccc(CNC(=S)Nc2ncc(Cl)cc2Cl)cc1 223941537 CITKWQGKLZXNMN-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccccc2OCC)ccc1OC 224415083 IGEGYYVADODFLI-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1Cl 224665842 MYHRTPYYMSBYIY-AWEZNQCLSA-N 347.842 4.244 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NCCC2=CCCCC2)c1C 225355062 VQCMAYPHFRWENY-UHFFFAOYSA-N 346.496 4.349 0 40 EIAB CCN(C(=O)c1ccnc(C)c1)[C@H](c1ccc(F)cc1)c1ccccn1 225720898 ZXXCEERZVFZFTM-HXUWFJFHSA-N 349.409 4.176 0 40 EIAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(F)(F)F 225807019 NMCASVLNAOZNPU-BZNIZROVSA-N 345.361 4.248 0 40 EIAB Cc1ccc(CCC(=O)NCCSCc2ccccc2F)cc1C 225834692 LIVVEKYMFNBRQT-UHFFFAOYSA-N 345.483 4.425 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(C(C)C)CCCC2)c1 225864364 CKUBIVVQTXNOFX-UHFFFAOYSA-N 348.512 4.427 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccccc1OC 225885455 NJEFLWHPVKYTCA-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCn2cc(-c3ccccc3)cn2)cc1 240122717 WICYTHIGKLWCPG-UHFFFAOYSA-N 347.462 4.278 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 301192401 BGBBCYCSHFZHSX-GOSISDBHSA-N 337.463 4.244 0 40 EIAB O=C(c1c(F)cc(Br)cc1F)C(Cl)(Cl)Cl 389369773 XMWJTFUEDXYNNN-UHFFFAOYSA-N 338.362 4.280 0 40 EIAB CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 513067062 BXIUZBBCKAZRBL-INIZCTEOSA-N 341.430 4.036 0 40 EIAB Cn1c2ccccc2n2c(SCc3ccc4ncccc4c3)nnc12 545314955 URBIVVZEWYTUCV-UHFFFAOYSA-N 345.431 4.062 0 40 EIAB Cc1nsc(C)c1C(=O)NCc1ccc(Oc2ccccc2)cc1 550406016 YWEXGNSRNZJZMY-UHFFFAOYSA-N 338.432 4.482 0 40 EIAB COc1ccc(CCC(=O)NCc2ccc(-c3ccsc3)o2)cc1 575610833 QICICYHCQGRRRB-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Cc1ccccc1[C@H](CO)N(C)C(=O)c1ccc(-c2ccco2)s1 1615610876 PUYAZPRUGGRTHC-HNNXBMFYSA-N 341.432 4.122 0 40 EIAB CCOC(=O)c1csc(-c2ncc(C(F)(F)F)cc2Cl)n1 109544 YOWQOUCUXGSNGU-UHFFFAOYSA-N 336.722 4.054 0 40 EIAB CCCc1nc2ccccc2c(NC(=O)CN2CCCCC2)c1CC 333853 BZQBQHZFLANGHH-UHFFFAOYSA-N 339.483 4.174 0 40 EIAB Cc1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1C 543530 WTCPBRQLZWAGQP-UHFFFAOYSA-N 346.438 4.128 0 40 EIAB Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)c1ssc(=S)c1-2 2297138 HFKJSEQTXFUGIN-UHFFFAOYSA-N 333.459 4.293 0 40 EIAB CC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1ccccc1 2756922 OUYBQSYLQMOFRM-INIZCTEOSA-N 342.439 4.155 0 40 EIAB O=C(Nc1ccccc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116993 UBWWMUSJECLWCK-UHFFFAOYSA-N 331.240 4.316 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 3343757 YIQPVWOLEOVDJY-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(CCCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 4749249 BSYXODMTXLDRKM-UHFFFAOYSA-N 342.870 4.012 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c(O)c1C 5340739 XYDPPLOJKZRUBC-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=Cn1nc(-c2cc3ccccc3s2)n(-c2ccccc2)c1=S 6346736 URHQEDXTFAWOPU-UHFFFAOYSA-N 337.429 4.323 0 40 EIAB CCOc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1OCC 6964443 RGMNTZHCOZWJJN-GOSISDBHSA-N 328.437 4.181 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(Cl)c1C)C2 8367576 ZNMIURGVLQUCSV-UHFFFAOYSA-N 328.843 4.220 0 40 EIAB COc1cccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 12523492 CKSFTKUEMLKVNI-DGXIYAMASA-N 344.414 4.009 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 12530758 ZXMBDRGAYPXLAV-OAHLLOKOSA-N 349.434 4.007 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1cc2c(C)nn(C)c2s1 12687388 MTGAPRZMMMUION-UHFFFAOYSA-N 327.453 4.320 0 40 EIAB CCCCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 12926026 XUXBYGRFOLZVNE-UHFFFAOYSA-N 332.425 4.100 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 12944756 FPKSPEFXYFYOJL-UHFFFAOYSA-N 345.443 4.131 0 40 EIAB Cc1cc(C)c(NC(=O)COc2ccc3c(c2)CCC3)c(Cl)c1 14094383 NIJBVFXXCZTLHL-UHFFFAOYSA-N 329.827 4.463 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 14573634 BPELSKRDRCKGBT-PXUDHTSWSA-N 339.435 4.211 0 40 EIAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1 14654389 XMCAJOYGSHWQSD-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C)C4)ccc1O 15085173 AAUDZRQKQXRTFP-ZWNOBZJWSA-N 343.448 4.061 0 40 EIAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 16087329 XNUAIJVDXHRNBB-OAHLLOKOSA-N 325.433 4.188 0 40 EIAB O=c1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)c[nH]1 18045657 XAESXCBPFGVNKA-UHFFFAOYSA-N 335.794 4.093 0 40 EIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(F)c1 20138126 PTQMMRPEMGWZBY-UHFFFAOYSA-N 325.339 4.139 0 40 EIAB CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 22134965 VOBUZOQUQPJIFR-GOSISDBHSA-N 327.399 4.251 0 40 EIAB CCCOc1ccc([C@@H](C)NC(=O)c2ccoc2)cc1OCCC 25065854 WBLRJLAQKUTMDT-CQSZACIVSA-N 331.412 4.348 0 40 EIAB CCOc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1OCC 26753788 QBVYVPLTCWJDFB-HNNXBMFYSA-N 327.424 4.018 0 40 EIAB C[C@H](C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1)n1cccn1 28504814 SWLWUTPAISRCOT-QRWLVFNGSA-N 345.402 4.096 0 40 EIAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 29483087 RGNUVCUDMUGFKT-KRWDZBQOSA-N 348.368 4.263 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 36620990 DBMYBFHEIQVDCD-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccccc1 38754278 VKWLCFHFKLTVFL-KRWDZBQOSA-N 349.883 4.406 0 40 EIAB C[C@@H](NC(=O)c1noc2c1CCCC2)c1cccc(C(F)(F)F)c1 40157120 YCNUWMBVRPCCED-SNVBAGLBSA-N 338.329 4.063 0 40 EIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)c(F)c1 48374259 LXZDRGJGWGWOGM-UHFFFAOYSA-N 349.409 4.369 0 40 EIAB COc1ccc(Br)cc1NC(=O)c1ccc(C)c(C)c1 48444650 SWSVLSXQFMQSHL-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB c1csc(-c2n[nH]cc2CN[C@@H]2CCSc3ccccc32)c1 53945946 WZRDQVLJJFDBRJ-CQSZACIVSA-N 327.478 4.465 0 40 EIAB CCN(c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl 54362875 YLZFBHCFOQBFFB-UHFFFAOYSA-N 325.799 4.044 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](C)CC2)c1 58420921 XQPZLWQEMYGYAZ-CQSZACIVSA-N 342.439 4.133 0 40 EIAB O=C(OC[C@@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc12 58792036 JHLDSQLYXQJRPE-ZDUSSCGKSA-N 339.416 4.299 0 40 EIAB O=C(CC[S@@](=O)C/C=C/c1ccccc1)Nc1ccccc1Cl 70008102 CLMFGMLVHGLZHM-MFJULSPGSA-N 347.867 4.131 0 40 EIAB CCc1cnc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)o1 72578424 VRFGLNWASSHNLF-UHFFFAOYSA-N 337.423 4.016 0 40 EIAB Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccccc1Cl 75437260 BLMMLLYKYNKUAT-UHFFFAOYSA-N 337.810 4.035 0 40 EIAB CSc1ccc(-c2nsc(NC(=O)c3cccc(F)c3)n2)cc1 80343781 SHJOPOGWJSTGDE-UHFFFAOYSA-N 345.424 4.318 0 40 EIAB CC(C)(C)C[C@H]1CCCN1c1cc(-c2ccccc2)nc2ncnn12 84169784 MVIHPUYCJATUBL-MRXNPFEDSA-N 335.455 4.196 0 40 EIAB Fc1cccc(Cl)c1[C@@H](CNCc1cccs1)N1CCCC1 89768029 XARVYHBXFFCXJR-MRXNPFEDSA-N 338.879 4.467 0 40 EIAB CCc1ccc([C@@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)o1 90667704 HFUDNXZUWOLPKJ-CVEARBPZSA-N 327.472 4.113 0 40 EIAB COc1ccc([C@@H](C)NCC2(c3ccccc3)CC2)cc1NC(C)=O 95419852 COLJQTJHFJLSNB-OAHLLOKOSA-N 338.451 4.036 0 40 EIAB Cc1cc2occ(CC(=O)N[C@@H]3CCO[C@H](CC(C)C)C3)c2cc1C 95991268 IPPPNLNYQMNISB-QZTJIDSGSA-N 343.467 4.302 0 40 EIAB CN(Cc1ccco1)[C@H]1CCC12CCN(Cc1ccsc1)CC2 96051551 IJCPROVHLAQASS-SFHVURJKSA-N 330.497 4.218 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OC(C)C)c1 105942221 SJGZIPIEJBDTGO-UHFFFAOYSA-N 347.798 4.166 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSc1ccccc1 222947280 BXRBCUFNWYFTKY-GOSISDBHSA-N 343.492 4.369 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C 223395475 OASMOGUHKDFLBE-BVBGJJFLSA-N 337.419 4.231 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)N[C@H]1CCCc2ccccc21 223888608 UJHIYSJFJOTGNB-NRFANRHFSA-N 335.447 4.138 0 40 EIAB COCc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 224145962 ZHAXUKMBUKSFTH-UHFFFAOYSA-N 333.815 4.284 0 40 EIAB COc1cccnc1NC(=S)N[C@H](c1ccccc1C)C(C)C 225762776 KVHOPJXELALSGK-INIZCTEOSA-N 329.469 4.082 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 225874414 OEUONFQMQVENCY-KGLIPLIRSA-N 347.842 4.302 0 40 EIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225884661 LZPUDLCEMWJRSZ-IBGZPJMESA-N 330.428 4.166 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 226097367 FGNXUDYJYOTINS-UHFFFAOYSA-N 335.407 4.345 0 40 EIAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257288144 PTAJDEOMMINYGT-LJQANCHMSA-N 347.418 4.028 0 40 EIAB S=C(NCCCc1ccccc1)Nc1cccc(N2CCCC2)c1 408586359 NWNWEZUVLPJEGX-UHFFFAOYSA-N 339.508 4.206 0 40 EIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCC2)cc1 408674747 BZQSEVMVQUOVRD-UHFFFAOYSA-N 346.430 4.110 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cncc2ccccc12 533996992 OOPLPTGPPTVGLG-LBPRGKRZSA-N 326.783 4.294 0 40 EIAB CCCOc1ccc(NC(=O)[C@H]2CSCCS2)cc1C(C)C 1132979611 DYUNGVUMXOSHQT-MRXNPFEDSA-N 339.526 4.386 0 40 EIAB CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1cnc2c(F)cccc2c1 1531783855 ZTEPNPZJTRPJJV-KRWDZBQOSA-N 340.373 4.264 0 40 EIAB CCc1sc(-n2cccc2)nc1C(=O)NCc1cccc(Cl)c1 1565524216 GHBOSNMOPXVHDX-UHFFFAOYSA-N 345.855 4.080 0 40 EIAB O=C(Nc1nccs1)[C@@H]1CC2c3ccccc3C1c1ccccc12 51059 WEUPVNXYXSAVCD-LXPRWKDFSA-N 332.428 4.379 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)cc1 138003 IZOYQNBRDJFJQE-UHFFFAOYSA-N 347.201 4.084 0 40 EIAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccccc1F 1384421 CVNXJDNHMLEPAA-UHFFFAOYSA-N 347.353 4.179 0 40 EIAB CCCCn1cnc2c(SCc3ccc(Cl)cc3)nc(N)nc21 1677279 GYDUPSSJDVALJK-UHFFFAOYSA-N 347.875 4.154 0 40 EIAB OCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12 1801747 FFUJUBIBALMMKV-UHFFFAOYSA-N 347.443 4.430 0 40 EIAB Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)O)c23)cc1 1935778 PJAKGZYJOFIOMB-SNVBAGLBSA-N 330.434 4.232 0 40 EIAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3)n2N)cc1 2396916 YABQRBSQCKTJQG-UHFFFAOYSA-N 338.480 4.249 0 40 EIAB O[C@H](CNC1CCCCCCC1)COc1ccc(Cl)cc1Cl 2639170 OSTZMCUONMAMNO-OAHLLOKOSA-N 346.298 4.436 0 40 EIAB O=C(Nc1ccccc1OC(F)F)c1cccc(OC(F)F)c1 2743548 BMCWQVPULAXICH-UHFFFAOYSA-N 329.249 4.142 0 40 EIAB O=C(O)c1ccc(C(=C(Cl)Cl)c2ccc(C(=O)O)cc2)cc1 3468176 ZALOEWQCZQDIJX-UHFFFAOYSA-N 337.158 4.278 0 40 EIAB COc1ccc(NC(=O)c2ccc(Br)cc2)cc1Cl 3472190 BQNDTAWZINYDKY-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1C 4322963 XLMDRYLXGUNKFV-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O=NN(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1 4456043 ZFPGGPXGWDOUOI-UHFFFAOYSA-N 333.391 4.391 0 40 EIAB COc1ccccc1CNc1ncc(-c2ccc(Cl)cc2)n1C 4678549 VHLAHUGLXMKDLY-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB O[C@@H]1c2c(ccc3ccccc23)CC[C@H]1[C@H]1NCCc2ccccc21 4913977 NXHJGRJQTMOMRC-PMVMPFDFSA-N 329.443 4.323 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)CC(C)(C)C 5136967 VVAAVAJRRKRJDQ-UHFFFAOYSA-N 334.460 4.353 0 40 EIAB C=C=Cn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 5234783 LFKFCSQZTORGME-QGZVFWFLSA-N 343.430 4.429 0 40 EIAB CC(=O)Nc1ccc(OCc2ccc(Br)cc2F)cc1 5347077 RDOBWENOTOZYCA-UHFFFAOYSA-N 338.176 4.126 0 40 EIAB O=C(O)[C@H](NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 5901900 UZVVSTKAXVDPCZ-LJQANCHMSA-N 346.386 4.360 0 40 EIAB Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)nc3ccccc32)cc1 6143703 XOTYJFDYHYEUDT-UHFFFAOYSA-N 348.427 4.249 0 40 EIAB CCOc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1 6249814 WGRZRANELKGBAY-UHFFFAOYSA-N 338.329 4.155 0 40 EIAB Cc1ccc(NC(=O)c2cncc(Br)c2)c(Cl)c1 6272375 JRDFTXMEBBTMLO-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 6657034 HWHCDQOUIDLCNY-LFIBNONCSA-N 327.405 4.295 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6880193 UGVAALMRCZITIO-UHFFFAOYSA-N 339.420 4.156 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nnc(NCC(C)C)s2)c1 7249998 HSNKYJPXDMBMKV-UHFFFAOYSA-N 335.498 4.198 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccnc1Cl 7382552 HFZRVEXSXUGNPY-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)NCCC2=CCCCC2)cc1 7980277 NPLOYRHDVBOEGX-UHFFFAOYSA-N 329.440 4.055 0 40 EIAB CC(C)c1ccc(OCC(=O)NCCSc2ccccc2)cc1 8243558 GUSOHKSMTWEQSW-UHFFFAOYSA-N 329.465 4.097 0 40 EIAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)oc1C 8332170 LNOXPTOOLURXAX-UHFFFAOYSA-N 331.224 4.329 0 40 EIAB CNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 8377395 YGCGLGWUNGXCLW-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 8494276 ANEJNYIYAVTQBK-KRWDZBQOSA-N 349.883 4.406 0 40 EIAB Cc1occc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)o1 9484233 QCZJSGJBWKKAIR-UHFFFAOYSA-N 339.376 4.094 0 40 EIAB CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCCCCC1 9943146 LNHVMDPMXHRXJV-UHFFFAOYSA-N 342.464 4.390 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 13011165 BNBSYIZJIAMVMI-OKILXGFUSA-N 346.858 4.432 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)Cc2cnn(CC)c2)cc1 13569137 JCEBQYSSYGXEBM-UHFFFAOYSA-N 334.467 4.063 0 40 EIAB CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c1 14095764 GUOGGYJHYVSZDZ-UHFFFAOYSA-N 341.436 4.165 0 40 EIAB CCCn1c(NC(=O)c2ccccc2OC(F)F)nc2ccccc21 14626073 WVHJYHUUVRJGBT-UHFFFAOYSA-N 345.349 4.300 0 40 EIAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)cs2)cc1 16742493 UQNICBWSZLFOJY-UHFFFAOYSA-N 329.446 4.260 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2s1 20025687 UPXUQTAMFUCDMM-UHFFFAOYSA-N 347.342 4.218 0 40 EIAB CCOc1ccc(CCC(=O)N(C)c2ccccc2)cc1OCC 20454779 BKTNCPWULQEKQU-UHFFFAOYSA-N 327.424 4.080 0 40 EIAB CC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 20892396 KWGCWEZZHKMCCE-INIZCTEOSA-N 332.444 4.438 0 40 EIAB CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 21619847 FFXOCSDIEAEJLZ-LJQANCHMSA-N 349.478 4.138 0 40 EIAB O=C(Nc1ccccc1)[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 24829120 WXJHRIDRRKUYAX-QGZVFWFLSA-N 348.368 4.309 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 25538011 BVAHDIIWEQBMLF-HXUWFJFHSA-N 349.409 4.297 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 28219905 XTKYLALIYRPGBA-UHFFFAOYSA-N 345.324 4.452 0 40 EIAB CCOc1cccc(CNC(=O)CCSc2ccc(C)cc2)c1 30858583 MCWONAYWQJCEQF-UHFFFAOYSA-N 329.465 4.192 0 40 EIAB CCSC1(SCC)C(=O)OC2=C(CCCCCC2)[C@H]1N(C)C 31759760 WZZPXQRNDMHZDV-OAHLLOKOSA-N 343.558 4.284 0 40 EIAB COC(=O)c1ccc([C@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)o1 31843889 JTHSDERPZXVOHH-NSHDSACASA-N 343.408 4.013 0 40 EIAB Cc1cc(C)c2oc(C(=O)Nc3cccc4cccnc34)cc(=O)c2c1 32623263 SQCSBDSAUAOLOO-UHFFFAOYSA-N 344.370 4.210 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 32895452 HABUSLUWIISPGD-IUODEOHRSA-N 344.377 4.006 0 40 EIAB Cc1ccc2oc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 35446479 BVOGJBZCBNCGFE-AWEZNQCLSA-N 328.362 4.404 0 40 EIAB biogenic,in-vitro OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2c(F)cccc2F)C1 36358022 KFHBEQSJEMSNAU-GFCCVEGCSA-N 343.308 4.413 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c(C)c1 36611894 YVNLKKCXSGQVAK-INIZCTEOSA-N 346.789 4.228 0 40 EIAB CC(=O)Nc1nc(Br)sc1Cc1cccc(Cl)c1 36636093 HJVLJIWAPKMKLJ-UHFFFAOYSA-N 345.649 4.108 0 40 EIAB O=C(NCCc1ccccc1)N(Cc1ccsc1)CC(F)(F)F 44447762 WMCWAROVURLFGF-UHFFFAOYSA-N 342.386 4.065 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(OC)ccc1OC 44947179 VWSGHSVAYJTAIR-HNNXBMFYSA-N 349.814 4.153 0 40 EIAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@H]1CCCc2ccccc21 46539907 VJMXLTPZRHSULP-IBGZPJMESA-N 333.435 4.032 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc(Cl)ccc1F 48202215 SGBVVFNTFGJOPG-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB O=C(C=C1CCCCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 55993068 LUBITMPHFFRJEX-HXUWFJFHSA-N 349.478 4.316 0 40 EIAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57503943 YCJRDYBPRZZQLJ-UGSOOPFHSA-N 328.843 4.011 0 40 EIAB CCCn1c(SCc2ccccc2F)nnc1-c1ccncc1 58859124 BFSLDTXDRQWMHA-UHFFFAOYSA-N 328.416 4.182 0 40 EIAB CC(=O)c1csc(NC(=O)c2sccc2-c2ccc(F)cc2)n1 63473990 FDHDFYFIGQDSCT-UHFFFAOYSA-N 346.408 4.466 0 40 EIAB Cc1noc([C@H]2CCCN(C(=S)Nc3ccc(C(C)C)cc3)C2)n1 66007591 QTGFXBSRNUIUFC-HNNXBMFYSA-N 344.484 4.078 0 40 EIAB COCc1ccccc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F 69537225 WUBFYFPKWOKTMX-HNNXBMFYSA-N 338.329 4.258 0 40 EIAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 69634194 YOUJNCCSXNCLGF-MRXNPFEDSA-N 341.451 4.211 0 40 EIAB CS(=O)(=O)Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H](C2CC2)C1 92169862 VXCOAILFJZCUIU-XJKSGUPXSA-N 341.904 4.265 0 40 EIAB C[C@H](NCc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1 95420667 HKQJDDQAEJYEPF-HNNXBMFYSA-N 348.475 4.392 0 40 EIAB c1ccc([C@H](NC2CCN(Cc3ccccn3)CC2)c2ccco2)cc1 96476434 NCENMCFMBYUOAS-QFIPXVFZSA-N 347.462 4.018 0 40 EIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@@H]1CCCS1 97021730 HHNILSYVIMOIAD-STQMWFEESA-N 341.546 4.173 0 40 EIAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 214571870 KMVVZOBLSARECA-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB O=C(c1c(F)cccc1F)N1CCS[C@H](c2cccs2)CC1 219480046 WMKUUULCSINFMV-AWEZNQCLSA-N 339.432 4.347 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)cc2)cc1Cl 219956461 DBEOHNZHPQGXJF-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc2ccccc2c1 222801430 MVUBWYHNBBBIEU-LJQANCHMSA-N 349.430 4.322 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2cccc(C)c2)cc1 222893512 DWMPNXGVMWFHSB-NRFANRHFSA-N 339.479 4.464 0 40 EIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223369371 VOZHXXDXURKKLR-RTBURBONSA-N 349.459 4.156 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 223372604 OVKIVEFSRIZJFU-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1ccccc1O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225087504 DWAYZNBFACEFKD-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccccc2)c1 225280796 PUUCVLPDGNJPII-NSHDSACASA-N 348.855 4.174 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)c2cccnc12 225884600 ZLJPDBAOIQPKIU-LJQANCHMSA-N 330.428 4.167 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cccc(Cl)c1 585147991 LOZCZJGCNWGCLR-KRWDZBQOSA-N 341.794 4.063 0 40 EIAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1c(F)cccc1F 567904 PIWIFAFJFISHHO-UHFFFAOYSA-N 342.370 4.439 0 40 EIAB CN(C(=O)CC(C)(C)CC(=O)N(C)c1ccccc1)c1ccccc1 1710082 AYFOWEBAEBYNGC-UHFFFAOYSA-N 338.451 4.119 0 40 EIAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2O1 3332307 LFQTVWNYALRXCM-UHFFFAOYSA-N 331.799 4.071 0 40 EIAB CN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc12 3358112 FTIUOGWFBBKQAY-UHFFFAOYSA-N 332.432 4.390 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 3524206 GRUFDXDVJYGGBR-GFCCVEGCSA-N 338.234 4.386 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062657 GREDPZQLNJUCDU-UHFFFAOYSA-N 340.810 4.270 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4081423 UITNBJRZYAEYLY-BQIMLZQESA-N 344.495 4.386 0 40 EIAB biogenic Cc1cc2cc(CNC(=O)c3ccc(Br)cc3)ccc2[nH]1 4138050 HZEYVSHVCHFZGX-UHFFFAOYSA-N 343.224 4.169 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1C 4275915 IMFLGBZUJMZCPY-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB Cn1ccnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 4804517 KRJIGPLYHXEFSP-MRXNPFEDSA-N 341.411 4.031 0 40 EIAB CN(CCN1CCCCC1)C(=O)[C@@H](c1ccccc1)C1CCCCC1 5047931 FONQVCVXPUIGHD-NRFANRHFSA-N 342.527 4.295 0 40 EIAB Cc1ccc([S@@](=O)CCOc2ccc(Cl)cc2Cl)cc1 5218282 VDLISDFVIAMHSK-HXUWFJFHSA-N 329.248 4.488 0 40 EIAB c1ccc([C@H]2[C@H](c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1 5604391 AWBNJJKNGQAUII-ZEQRLZLVSA-N 336.438 4.121 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 5727541 UFIXPFDSHQOZTG-HNNXBMFYSA-N 340.423 4.063 0 40 EIAB CCc1ccc(-c2n[nH]c(SCCOc3ccccc3)n2)cc1 6225496 UCPSGGOXMWLDSC-UHFFFAOYSA-N 325.437 4.205 0 40 EIAB CCC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 6324843 OBZPODHXSNSOQP-QGZVFWFLSA-N 336.479 4.163 0 40 EIAB CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc(OCC)c1OCC 6328723 TVOLYDLSHNAQBN-GDBMZVCRSA-N 349.471 4.191 0 40 EIAB CC(C)(C)c1ccc(C(=O)n2nccc2-c2ccc3c(c2)OCO3)cc1 6364000 LZJBBBBUXCFZHB-UHFFFAOYSA-N 348.402 4.265 0 40 EIAB CCOc1ccccc1OCC(=O)c1ccc(Br)s1 6507237 RIFOFNCPGXHKIA-UHFFFAOYSA-N 341.226 4.171 0 40 EIAB CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 6648242 ROCZIHXYRFXZLK-INIZCTEOSA-N 349.434 4.151 0 40 EIAB COc1cccc(C2=N/C(=C\c3ccc4ccccc4c3)C(=O)O2)c1 7058239 FWTVQSUFZOZIPG-UNOMPAQXSA-N 329.355 4.193 0 40 EIAB CCOc1ccc(NC(=S)NCCSc2ccccc2)cc1 7367973 MQUJXDBYOPXDRX-UHFFFAOYSA-N 332.494 4.164 0 40 EIAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 7445169 JDMJAEBFZFYEDP-UHFFFAOYSA-N 336.357 4.166 0 40 EIAB CCN(C(=O)CSc1ccc(NC(C)=O)cc1)C1=CCCCC1 7705429 SUFROSNVQNGIAP-UHFFFAOYSA-N 332.469 4.044 0 40 EIAB Cc1csc(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)n1 7737674 SRHGABBBXVYLQI-OAHLLOKOSA-N 332.494 4.080 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2ccco2)cc1 8229630 HTBWUOSJSNVBBX-HYSAVQALSA-N 325.408 4.445 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2s1 8315307 ZSLDDRYUFVHVHC-HNNXBMFYSA-N 340.448 4.061 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1nc2c(ccc3ccccc32)s1 8775781 NWVLFDBCBGRPQR-UHFFFAOYSA-N 337.404 4.236 0 40 EIAB COc1cccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1 8990276 FAZLQHCMHVXVIC-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB COc1cc(C(=O)Nc2ncccc2C)ccc1OCc1ccccc1 9338787 GXUMCOYNAVLDHK-UHFFFAOYSA-N 348.402 4.230 0 40 EIAB CSc1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)cc1 9512315 BVHUECZRCRLAOJ-UHFFFAOYSA-N 349.839 4.063 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 10434633 SBOYXRKKROYCFU-ONUXSRJRSA-N 349.559 4.376 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccc(F)cc1 12115094 UEPQBYCJFCOKGV-CQSZACIVSA-N 338.382 4.232 0 40 EIAB Cc1cccc(C2(O)CCN(Cc3[nH]c4ccccc4c3C)CC2)c1 12328497 OGUJIWPOEJZGGN-UHFFFAOYSA-N 334.463 4.268 0 40 EIAB COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)c1 12469386 NDMGZDZLWNUWEX-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB COc1ccc(CC(=O)Nc2cc(Cl)cc3cccnc23)cc1 12552741 IRRBGLLEDZMMMM-UHFFFAOYSA-N 326.783 4.078 0 40 EIAB CCn1c(C)cc(C(=O)Nc2ccc(Br)c(C)c2)c1C 12606835 BHKMEOMQBJIIGL-UHFFFAOYSA-N 335.245 4.448 0 40 EIAB Fc1cc(CN2CCC(c3n[nH]c4ncccc34)CC2)ccc1Cl 12670189 YOHMIQUBAVHQMZ-UHFFFAOYSA-N 344.821 4.130 0 40 EIAB CC(C)c1nnc(NC(=O)c2cc(F)c(Cl)cc2Cl)s1 12807730 YDDLUHZHEJGALE-UHFFFAOYSA-N 334.203 4.360 0 40 EIAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 13019096 STBKBSVQRHNLBI-KPZWWZAWSA-N 346.833 4.150 0 40 EIAB CC(C)Nc1nnc(SCC(=O)c2cc3ccccc3o2)s1 14085903 ISOZNUGQRTWBJO-UHFFFAOYSA-N 333.438 4.080 0 40 EIAB CCCCc1ccc(NC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 15504685 PJWUSVXYFHECRZ-UHFFFAOYSA-N 349.434 4.011 0 40 EIAB CSc1ccc(CN(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 15765620 YVHIMJPFATVSAT-QGZVFWFLSA-N 347.867 4.024 0 40 EIAB CCCCN(C(=O)Nc1ccccc1F)c1ccc(C(=O)O)cc1 16638769 UFJOTJGGOOLOAD-UHFFFAOYSA-N 330.359 4.363 0 40 EIAB COc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 17120469 XYCNWGPEJNHDJH-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 17245175 WCDKJXUJAFXWJF-LVCYWYKZSA-N 339.479 4.356 0 40 EIAB c1ccc(CCCN2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 19371052 MWUNQGLDEGNUDV-INIZCTEOSA-N 339.464 4.220 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1 20460516 MAAGHRAFQFUHIQ-LJQANCHMSA-N 347.480 4.151 0 40 EIAB COc1cccc(NC(=O)c2cccnc2Nc2ccccc2F)c1 22072122 RIXXWPAJUUQOJD-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB FC(F)(F)c1nnc2ccc(SCc3ccc(Cl)cc3)nn12 22194247 ISNMMSGLRZCBHS-UHFFFAOYSA-N 344.749 4.089 0 40 EIAB COc1ccc(Cl)cc1CN(C)C(=O)C1(c2ccc(F)cc2)CC1 23134416 ZFOXPFLXRHULAP-UHFFFAOYSA-N 347.817 4.178 0 40 EIAB CN(CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 23146087 HMRWABYNFASQFP-GOSISDBHSA-N 328.843 4.288 0 40 EIAB COc1ccc(NC(=O)CCc2ccco2)cc1Cc1ccccc1 24883195 ZDCSPZWZYDXZKT-UHFFFAOYSA-N 335.403 4.450 0 40 EIAB COc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 25310426 QDRPVZILEVQVQK-UHFFFAOYSA-N 329.302 4.486 0 40 EIAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)cc1 25514424 RQXHSQKMEGDPFB-FQEVSTJZSA-N 341.451 4.465 0 40 EIAB CN(C)c1ccc(C(=O)c2ccccc2-c2ccc3c(c2)OCO3)cc1 26897446 GVCUFZZSDJEFAV-UHFFFAOYSA-N 345.398 4.379 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 28210547 VCFDBPNQPGDAQO-UHFFFAOYSA-N 333.334 4.174 0 40 EIAB O=C(C1=Nc2ccccc2/C(=C\c2ccccn2)N1)c1ccccc1 32513865 FZWOBRZKZDUZNH-XMHGGMMESA-N 325.371 4.096 0 40 EIAB Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(C2CCCC2)n1 32611425 OIIQFRYFBQQJIJ-UHFFFAOYSA-N 347.484 4.231 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(Cl)cc1Cl 41095267 FAGAWXMXNXBFOW-NOZJJQNGSA-N 336.284 4.159 0 40 EIAB CCCOc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 57416259 PVNLZMFDGRWMLS-UHFFFAOYSA-N 329.465 4.346 0 40 EIAB COc1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12 57446632 MQJOMSKCKNFGEW-OAHLLOKOSA-N 334.419 4.138 0 40 EIAB CCCOCc1ccccc1CNc1cc(C)nc(-c2ccncc2)n1 57827473 LTTZMBVYCCUSAG-UHFFFAOYSA-N 348.450 4.386 0 40 EIAB Cc1cc([C@@H](C)NC(=O)Nc2cccc(-n3cccn3)c2)c(C)s1 57862288 XSMLBEJNPOOKHP-CYBMUJFWSA-N 340.452 4.433 0 40 EIAB C[C@@H](C(=O)Nc1ccc(F)cc1)n1c(-c2cccs2)n[nH]c1=S 58380306 JOUIYWKKRIHRBX-VIFPVBQESA-N 348.428 4.008 0 40 EIAB Cc1ccc2nc3c(c(C(=O)NCc4ccc(C)nc4)c2c1)CCCC3 69325511 UUECXVCPDQLCEM-UHFFFAOYSA-N 345.446 4.055 0 40 EIAB Cc1nccn1[C@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 69920510 SEEHORDJRZIDQU-JTQLQIEISA-N 344.267 4.037 0 40 EIAB C[C@@H]1Oc2c(C(=O)Nc3ccc(-n4ccnc4)cc3)cccc2[C@H]1C 73751943 DWIZTOFITVJIHR-KBPBESRZSA-N 333.391 4.009 0 40 EIAB CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 79033295 DURZJTUJYPOWNB-UHFFFAOYSA-N 346.254 4.212 0 40 EIAB CC(C)c1ccc(CN2C(=O)C[C@@](C)(c3ccsc3)C2=O)cc1 79107688 XOPYSNQXETWONR-IBGZPJMESA-N 327.449 4.088 0 40 EIAB CCOc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1Cl 83221619 HOHHUGYPSIGWLX-UHFFFAOYSA-N 336.800 4.122 0 40 EIAB CCn1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc21 83843367 MUJGQCMOPAREEN-HRAATJIYSA-N 348.446 4.263 0 40 EIAB CS[C@@H](C)c1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1 98014258 QUUGLBLKUKYINM-AWEZNQCLSA-N 334.485 4.145 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)CSc2nc3ccccc3o2)C1 103077106 IXAKJWOCSHFBQV-YJYMSZOUSA-N 344.480 4.347 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@H](O)COCC[C@H]1C[C@@H]2CC[C@@H]1C2 104492736 QBRZVAUIHARCSG-YRXWBPOGSA-N 337.548 4.233 0 40 EIAB C[C@H](Cc1ccoc1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 206663037 VSJZADSHULDLEB-CQSZACIVSA-N 331.843 4.492 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)c1C 222902763 VGDXSJKITOJLMK-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)Nc1nnc(-c2ccccc2)s1 223324204 PAARXPXNXSEZSP-UHFFFAOYSA-N 347.802 4.179 0 40 EIAB Cc1cc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)ccc1Cl 225061061 WSZHEVDWUIORAD-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CC(C)NC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476738 LNVNSTSYGFLBGH-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)c3cccc(F)c3)cc2)no1 226097606 IJQPXBJNPNSCFP-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB CC(C)[C@@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc2c(c1)OCCCO2 248239751 NZVJOVWXGCKQFU-GIYDNNGJSA-N 343.467 4.097 0 40 EIAB Cc1cccc(C[C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)n1 257318441 VNXXGQCTCXPNNH-QGZVFWFLSA-N 345.446 4.033 0 40 EIAB COc1ccccc1CC(=O)N1CCCC[C@H]1CSC(C)(C)C 390832317 YPDKLZFQQMOWGU-INIZCTEOSA-N 335.513 4.151 0 40 EIAB Cc1ccc(-c2[nH]c(=Nc3ccccc3)sc2CC(=O)O)c(C)c1 408890005 MLTKHTONRINBGS-UHFFFAOYSA-N 338.432 4.220 0 40 EIAB O=C(NCc1cocn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 593747015 ZIKMCXMNSXASAD-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB O=C(O)c1ccccc1C(=O)n1c(-c2ccccc2)nc2ccccc21 68149 BVINBQHAHYGUMT-UHFFFAOYSA-N 342.354 4.090 0 40 EIAB Cc1ccc2[nH]c(SCc3cn4cc(Cl)ccc4n3)nc2c1 91584 GUWITIPMHCIFKB-UHFFFAOYSA-N 328.828 4.465 0 40 EIAB O=C(NCc1ccccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 145399 VOAUSUHGXZEOCJ-UHFFFAOYSA-N 348.246 4.049 0 40 EIAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nccs1 557855 WKZLUKXFWKBXNQ-NSCUHMNNSA-N 329.208 4.110 0 40 EIAB CC(C)c1nc(SCC(=O)NC2CCCCC2)c2ccccc2n1 1342862 JUZNQPKBQSEWMR-UHFFFAOYSA-N 343.496 4.294 0 40 EIAB Cc1cccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1 2112986 VGZXAVSNLYDTEM-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic O=C(OCc1nc2ccccc2s1)c1cnc(Cl)c(Cl)c1 3275462 NOVARZDJRHCVNS-UHFFFAOYSA-N 339.203 4.355 0 40 EIAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nccs1 3503921 VYQNSCQBALXPSO-UHFFFAOYSA-N 345.449 4.293 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4660358 FVAOBAAJFRWURS-MISXGVKJSA-N 330.255 4.456 0 40 EIAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(Cl)c1 5325352 VNJUTSQTGZPOER-UHFFFAOYSA-N 343.810 4.026 0 40 EIAB CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(CCCOC(C)C)C1=O 6202311 JLVAZEHYZWDJKV-HXUWFJFHSA-N 340.467 4.213 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c1 6426337 HOQAKNXFQVVSIK-OAHLLOKOSA-N 344.414 4.444 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1ccccc1C(=O)c1ccccc1 6589933 SEDWZKORGBOITK-UHFFFAOYSA-N 341.370 4.046 0 40 EIAB C/C=C/c1ccc(OC[C@@H](O)CNC2CCCCCCC2)c(OC)c1 6626709 PVKOOOTYOQGUQP-VZJZHNIPSA-N 347.499 4.171 0 40 EIAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F 6859716 MLONRGHLEMUCDX-LBPRGKRZSA-N 343.370 4.053 0 40 EIAB Cc1nc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)cs1 7004925 JDECYSGVPMNAKW-UHFFFAOYSA-N 336.460 4.242 0 40 EIAB COc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 7061640 JFKZBIXIDSSYAR-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(Br)cc1 7645413 RHWXWYGPBLRAFG-LLVKDONJSA-N 336.204 4.008 0 40 EIAB COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cn1 8078089 IZGSYXOBFMTBHI-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccco1 8156503 YRTJRZHIXOCWJJ-UHFFFAOYSA-N 342.380 4.098 0 40 EIAB CN(C)CCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 8373876 HFNBDZWQDLEUDF-UHFFFAOYSA-N 327.255 4.295 0 40 EIAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1c(F)cccc1F 9169668 ICYNCECYKQHJHQ-UHFFFAOYSA-N 341.273 4.013 0 40 EIAB O=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1Cl 9699735 DZVPSFRTIUROHM-UHFFFAOYSA-N 347.827 4.413 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1F 11009394 FTKQLGRBIGPVFS-UHFFFAOYSA-N 339.326 4.315 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1 11693139 ZMVMGKWOBFGDGO-ZDUSSCGKSA-N 336.366 4.001 0 40 EIAB COc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11914861 JIGOHRJBRZYJSE-UHFFFAOYSA-N 329.739 4.223 0 40 EIAB CC(C)COc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 11915482 LRCNELLFCAZIJP-ZDUSSCGKSA-N 328.412 4.087 0 40 EIAB CC[C@@H](NC(=O)c1c(C)oc2ccc(O)cc12)c1ccc(F)cc1 12199707 LBXZGUXGERWYBE-MRXNPFEDSA-N 327.355 4.467 0 40 EIAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(F)c1 12769795 HKTLNUTWSRBKFB-UHFFFAOYSA-N 325.343 4.108 0 40 EIAB CCCCC1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 12855194 KFXLEQIMSMWBQL-UHFFFAOYSA-N 348.462 4.219 0 40 EIAB CCOc1cc2c(cc1NC(=O)CSc1ccccc1)O[C@@H](C)C2 12972784 GPKWXPFVAHWBGN-ZDUSSCGKSA-N 343.448 4.140 0 40 EIAB Cc1ncc([C@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 13281779 YAKCYYMMNQBPES-LJQANCHMSA-N 326.827 4.149 0 40 EIAB Fc1ccccc1-c1nnc2sc(-c3ccc4ccccc4n3)nn12 13691577 IAMXFSTWRRUYKQ-UHFFFAOYSA-N 347.378 4.207 0 40 EIAB Cn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 14112773 LWKHNWHDPYSCJJ-UHFFFAOYSA-N 335.885 4.413 0 40 EIAB CCc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1 14166206 SARLFEIXTFGWII-UHFFFAOYSA-N 340.433 4.455 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C 14246163 KPEPIKOSFKXYAV-ZDUSSCGKSA-N 338.451 4.204 0 40 EIAB O=C(Nc1cccc2cccnc12)[C@H]1COc2ccc(Cl)cc2C1 15612028 DLOKRBWSFJPNJW-CQSZACIVSA-N 338.794 4.078 0 40 EIAB Cc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 15825290 UMHZIQQKILBBOF-UHFFFAOYSA-N 329.469 4.428 0 40 EIAB Cc1cc2sc(NC(=O)Cc3c(C)noc3C)nc2cc1Cl 19125808 ZPXLUQUKKVQVEI-UHFFFAOYSA-N 335.816 4.044 0 40 EIAB COc1cccc(CN2CCCCC[C@@H]2c2c(Cl)cnn2C)c1 19288582 JVHKTQPODJOONS-QGZVFWFLSA-N 333.863 4.199 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ccc(C(=O)O)cc2C)c1 20141530 ZMRAHWWSQZUELB-UHFFFAOYSA-N 327.380 4.124 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1c(C)cccc1C 21587847 HVNOLPXQUHXCKH-LJQANCHMSA-N 334.419 4.206 0 40 EIAB Cc1sc2nc([C@H](C)Nc3ccc(Cl)cc3)[nH]c(=O)c2c1C 23865151 DFYLNVSJIKTBJM-VIFPVBQESA-N 333.844 4.428 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc2cn[nH]c12 25624199 ZHWNGQLQUSYOGR-FQEVSTJZSA-N 341.414 4.277 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 27344046 WDZHCKJSXGKYLB-UHFFFAOYSA-N 338.451 4.179 0 40 EIAB Cc1nc2cc(NC(=O)c3csc(-c4ccco4)n3)ccc2o1 29602462 NWLAONLZFSYVJG-UHFFFAOYSA-N 325.349 4.105 0 40 EIAB C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1 29757683 HRNSEAVDZXTYKE-OAHLLOKOSA-N 341.430 4.092 0 40 EIAB O=C(CCNc1ccccc1)N[C@@H](c1ccccc1)c1cccs1 30127633 GRXSTYSYWMCNLW-FQEVSTJZSA-N 336.460 4.456 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCc3ccc(F)c(C)c3)cs2)o1 32816439 XNGBCMXDYDONMW-UHFFFAOYSA-N 344.411 4.018 0 40 EIAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2C)cc1F 32863037 XOACXZWKKHTHDP-KGLIPLIRSA-N 330.403 4.264 0 40 EIAB Cc1ccc(-c2nc(COc3ccccc3Br)no2)cc1 32905987 NIDIDLSNDCSAAJ-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 45418313 RXILGNXEBOJPBQ-GFCCVEGCSA-N 340.810 4.015 0 40 EIAB COc1ccc(Oc2ccc(CNCc3ccsc3)cn2)cc1 47719798 MLCIHYKTKCFTCM-UHFFFAOYSA-N 326.421 4.234 0 40 EIAB CC(C)N(Cc1cccc(Cl)c1)Cc1nc(-c2ccco2)no1 47959208 RGUTURFKNBEKGR-UHFFFAOYSA-N 331.803 4.394 0 40 EIAB C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccccc1 56187735 AUGNKNYLLZGKMO-INIZCTEOSA-N 347.418 4.100 0 40 EIAB CN(Cc1ccccn1)c1nc(-c2ccsc2)nc2ccccc12 57139922 XJBOIEMDJWXKBB-UHFFFAOYSA-N 332.432 4.390 0 40 EIAB C[C@@H](NC(=O)c1c2c(nc3ccccc13)CCC2)c1cccc(F)c1 58344225 AJUMODWHQLAAKE-CYBMUJFWSA-N 334.394 4.354 0 40 EIAB Cc1[nH]c2ccc(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2c1C 58370496 BWTCPMNMSJBRDK-ORAYPTAESA-N 328.456 4.110 0 40 EIAB Cc1[nH]c2ccc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2c1C 58370499 BWTCPMNMSJBRDK-BFUOFWGJSA-N 328.456 4.110 0 40 EIAB CC(C)(C)c1ncc(NC(=O)c2cc3c(s2)CCCCC3)cn1 58406796 KKHWHXBOAPUXQU-UHFFFAOYSA-N 329.469 4.357 0 40 EIAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@H]1CC1CCCCC1 65129403 CVWUASITCNZPFM-INIZCTEOSA-N 325.456 4.067 0 40 EIAB CC[C@@H](C)n1nccc1NC(=O)c1sc2nc(C)nc(C)c2c1C 66661659 FZHVMUJXFJPJBH-SECBINFHSA-N 343.456 4.036 0 40 EIAB Cc1ccc2cc(/C=C/C(=O)Nc3ccc4oc(=O)ccc4c3)oc2c1 67339826 GLLNWNJRIGCGND-SOFGYWHQSA-N 345.354 4.500 0 40 EIAB CCc1ccc2c(CNc3ccn(-c4ccccc4)n3)cc(=O)oc2c1 68781334 KBZCYOIUKGEELX-UHFFFAOYSA-N 345.402 4.153 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 72414156 PXICAMPIWREKQF-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB c1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 89845631 BZYYAAZMVZHGLB-UHFFFAOYSA-N 332.447 4.041 0 40 EIAB C[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1ncc(-c2ccccc2)o1 95399923 IXHCLDWLRPDLDD-CQSZACIVSA-N 339.439 4.234 0 40 EIAB Cc1ccc(CNc2cccc(C[S@@](=O)C3CCOCC3)c2)s1 95429130 QUWPGWYEPDPIDG-QHCPKHFHSA-N 349.521 4.096 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2cnco2)cc1 96416831 HSZBTKPFQOBYQL-SFHVURJKSA-N 335.407 4.350 0 40 EIAB CCOC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 109768499 KGOCIBUZTPRVQL-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB COc1cccc(-c2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)c1 216611077 LPBALWXOUMKLGO-UHFFFAOYSA-N 340.770 4.022 0 40 EIAB COc1ccc(OC[C@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 225263846 BTRMDOQXTFWPBD-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB CC(C)Oc1cccc(NC(=O)COc2cccc3c2CCCC3)c1 225269086 JAKSMBINEWRDKA-UHFFFAOYSA-N 339.435 4.370 0 40 EIAB COC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCC1 225625461 JNXGIIVIWGDRNX-UHFFFAOYSA-N 325.408 4.163 0 40 EIAB CCCO[C@]1(C(=O)Nc2ccc(OCCOC)cc2)CCC[C@@H](C)C1 225664550 QXCGRROWXDLQRP-OXQOHEQNSA-N 349.471 4.026 0 40 EIAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H]1C 238857009 XQHWJVYZQCZBNX-KYHPRHEASA-N 332.488 4.056 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 575444548 ZCDPBUSYYQJXGD-SUMWQHHRSA-N 328.460 4.282 0 40 EIAB CCc1sc(-n2cccc2)nc1C(=O)NCc1ccccc1Cl 1565524619 PKOTUPCXKOCKFJ-UHFFFAOYSA-N 345.855 4.080 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)O)[C@@H](C)c1ccccc1 49608 FKGMRMZWDUIXMG-SWLSCSKDSA-N 345.826 4.482 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)C1SCSCS1 114528 WNHGXQSCWSGUHY-UHFFFAOYSA-N 326.295 4.386 0 40 EIAB Oc1ccc(CNc2ccccc2Br)c2cccnc12 352689 XXBBKQPFNKQHAQ-UHFFFAOYSA-N 329.197 4.315 0 40 EIAB Cc1ccccc1N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 364702 NPXBZBKADVFZIU-NSHDSACASA-N 337.678 4.266 0 40 EIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc2ccccc12 507496 FDGXCNNEAQNAGP-IBGZPJMESA-N 335.359 4.138 0 40 EIAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 568331 XYLQNPFRTZTHNC-UHFFFAOYSA-N 337.398 4.019 0 40 EIAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccco1)nn3CC(C)C 1295071 WMVQZIABIMIQEH-UHFFFAOYSA-N 348.406 4.394 0 40 EIAB CC(=O)c1cc(C(C)C)c(OC(=O)NC(=O)c2ccccc2)cc1C 1470998 NVFBMGSLCIPFPT-UHFFFAOYSA-N 339.391 4.250 0 40 EIAB Cc1ccc(OCCSc2nnc3ccc4ccccc4n23)cc1 1924114 HAANCICMEOJQLF-UHFFFAOYSA-N 335.432 4.362 0 40 EIAB CCCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 2055574 PCOZCGXCKRLIES-PDGQHHTCSA-N 339.366 4.349 0 40 EIAB Cc1cc(C)c(C(=O)CSc2ccc3c(c2)OCCO3)c(C)c1 2659273 VKEYBHKJVDSING-UHFFFAOYSA-N 328.433 4.358 0 40 EIAB O=C(Nc1ccccc1)c1ccc(COCC(F)(F)C(F)F)cc1 2752448 MQMJKJYIDABTAG-UHFFFAOYSA-N 341.304 4.356 0 40 EIAB Cc1ccc(C)c(CSc2ccc3nnc(-c4ccncc4)n3n2)c1 4328130 NXTSWVRCIJYMBU-UHFFFAOYSA-N 347.447 4.095 0 40 EIAB CSc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 4517520 YMKDGQCNNNBQCF-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccco2)cc1 4690541 XDNDEQMLSPMJAE-OAHLLOKOSA-N 342.439 4.074 0 40 EIAB CN(C)C[C@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1Cl 5573671 ZUSLYFXPBPWQOH-IAQYHMDHSA-N 330.255 4.271 0 40 EIAB Cc1ccc(OCCSc2nc(-c3ccccc3F)n[nH]2)cc1 5676754 URGCEZAYHAXQFW-UHFFFAOYSA-N 329.400 4.090 0 40 EIAB COC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 6365031 MPMDDOJNNAMSFI-VIFPVBQESA-N 348.424 4.151 0 40 EIAB O=C(O)c1ccc(CNCc2ccccc2OCc2ccccc2)cc1 6662085 ZVACOZCHKFWEHO-UHFFFAOYSA-N 347.414 4.254 0 40 EIAB CCc1nnc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)s1 7346648 CNSBRJIHBUZVLK-UHFFFAOYSA-N 341.461 4.180 0 40 EIAB Cc1c(C(=O)OCc2nc(-c3ccsc3)no2)oc2ccccc12 7633710 BPPAZXTXNCRHON-UHFFFAOYSA-N 340.360 4.210 0 40 EIAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3)ccc2c1 7926777 JWNWPMXPZGLRKK-INIZCTEOSA-N 348.446 4.307 0 40 EIAB CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCc2ccccc21 8266672 WQIDDIHNXZMZHP-INIZCTEOSA-N 348.368 4.052 0 40 EIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2C1 8429208 XHUPXVOUFLVTEN-GFCCVEGCSA-N 348.402 4.274 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H](C)c1ccccc1 8728232 LHTYWGSEQHCTOX-IYOXOMEYSA-N 345.446 4.380 0 40 EIAB CC(C)CNC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O 9531813 CKYMNMPIWFKGSD-MRXNPFEDSA-N 331.843 4.340 0 40 EIAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116069 DCRGOZKHGOMZJU-LJQANCHMSA-N 342.402 4.088 0 40 EIAB O=S(=O)(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(F)cc1 12521145 IQQYSVODLDEWBG-UHFFFAOYSA-N 339.391 4.198 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 12923549 RWZZRASTZNXUDA-LBPRGKRZSA-N 342.826 4.180 0 40 EIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cccc(Cl)c1 12987363 SNSXTQMXXLHJJI-GOSISDBHSA-N 343.858 4.299 0 40 EIAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(C)(C)CCCC2(C)C)cc1 16739461 SJOWHVXZXVMLII-KRWDZBQOSA-N 347.499 4.062 0 40 EIAB CSc1ncccc1C(=O)N1CC[C@@H](C)Sc2ccccc21 17525305 HTXALPMXBBZIRS-GFCCVEGCSA-N 330.478 4.335 0 40 EIAB O=C1c2ccccc2C(=O)N1CCSCc1ccc(F)cc1Cl 23742021 ZPNIXHDQTKCJTI-UHFFFAOYSA-N 349.814 4.009 0 40 EIAB Cc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1 24420694 RAPBOBHASHXXML-UHFFFAOYSA-N 345.398 4.460 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc(C)n(CC)c1C)O[C@@H](C)C2 27165938 VGLCEIWAPHXPQZ-ZDUSSCGKSA-N 342.439 4.099 0 40 EIAB O=C(Nc1ccc(Br)c2cccnc12)c1ccc(F)cc1 27930154 BRLMLSXNQAPPQJ-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 32905692 OMINPKWARLOMCG-QGZVFWFLSA-N 333.353 4.394 0 40 EIAB COc1ccc(C(=O)[C@H](C)OC(=O)c2csc3c2CCCC3)cc1 32945118 GPSXVXANDPAXFP-LBPRGKRZSA-N 344.432 4.064 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1 44949105 TUQMUVSTKAOJMH-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB COc1cc(Br)c2oc(-c3cccc(N)c3C)nc2c1 45920188 KVPFOINOCHQQIG-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB O=C(CCN1CCC[C@@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 48263557 WIXAJBQJHPVRTD-LJQANCHMSA-N 340.492 4.403 0 40 EIAB CC(=O)c1c(F)cccc1N1CCCN(Cc2ccc(C)cc2)CC1 54369737 NMADMPGETJREPC-UHFFFAOYSA-N 340.442 4.049 0 40 EIAB O=C(Nc1ccccc1COc1ccccc1)c1ccc2c(c1)OCO2 56002577 CLOTZSAZDPPELQ-UHFFFAOYSA-N 347.370 4.247 0 40 EIAB Cc1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1C 57438592 ISINHUYNRCHHCS-UHFFFAOYSA-N 347.462 4.281 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)cc1 67339668 GEDALAPUXMQCPR-CSKARUKUSA-N 334.375 4.352 0 40 EIAB CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2nc(C)cs2)c1 69594142 UMTZWKZUJUYXIS-AWEZNQCLSA-N 345.468 4.009 0 40 EIAB Cc1csc(C2(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CCC2)n1 71908911 CGSIUECTSIUKJV-RYUDHWBXSA-N 346.418 4.316 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)cc1OC 72331651 OXTXTJSMPXIVNW-CQSZACIVSA-N 327.424 4.318 0 40 EIAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1ccco1 76066643 DZVGEWWHSWPCMO-UHFFFAOYSA-N 335.407 4.073 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCOc2ccccc21 76764240 KRYCAVMCRNWSSG-OAHLLOKOSA-N 336.416 4.315 0 40 EIAB Cc1csc(C(=O)NCC[C@H](O)c2cccc3ccccc23)c1 77116380 HVAOYJOILDPAOM-KRWDZBQOSA-N 325.433 4.063 0 40 EIAB CNC(=O)c1cccc(CN[C@H]2CCSc3c(Cl)cccc32)c1 95420988 UQRXRRGFFHUQRK-INIZCTEOSA-N 346.883 4.026 0 40 EIAB Cc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccco4)C3=C(O)C2)cc1 102581945 YCFGNBLDKQAEFH-AUUYWEPGSA-N 346.390 4.245 0 40 EIAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222609456 QCVMBXZKBLUHAY-VHSSKADRSA-N 340.496 4.109 0 40 EIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C(C)C 222929018 AGJCJBGKQCBHBI-QZTJIDSGSA-N 342.512 4.093 0 40 EIAB CCOc1cccc(NC(=S)NCCCc2ccccc2OC)c1 225550835 IKFUCYFQNKLPID-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB COC(=O)c1cccc2c1c(C(F)F)cn2C(=O)OC(C)(C)C 225737164 RSDQZQQNDSHWFB-UHFFFAOYSA-N 325.311 4.149 0 40 EIAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1 226260610 ZEASHBIWFBQIOC-UHFFFAOYSA-N 325.456 4.491 0 40 EIAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCCCCC1 253406487 UNXVVCUQLXCKAE-LBPRGKRZSA-N 348.830 4.065 0 40 EIAB biogenic,in-vitro CC(C)Cc1ncc(-c2cncc([C@H]3CCCN(C(C)C)C3)n2)s1 257257351 KPDZIAUZSGOKEZ-HNNXBMFYSA-N 344.528 4.386 0 40 EIAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)CC[C@H]43)[C@H]1CC[C@]21CCC(=O)O1 263600188 JSXFOYUNEYPEME-ZWPDBSHUSA-N 330.468 4.284 0 40 EIAB CCCC[C@@H](CC)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 408718541 WEWQNXHKGWNTDE-CQSZACIVSA-N 344.377 4.071 0 40 EIAB Cc1cncc(-c2noc(-c3ccc(Nc4cccnc4)cc3)n2)c1 1615613788 YEMDKJKCHKCUQB-UHFFFAOYSA-N 329.363 4.246 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1CCc1ccncc1 1848352182 UORLZDLEVRVPES-IBGZPJMESA-N 347.462 4.119 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2oc1=O 294098 PAWJGHPMXPGZJP-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 355507 YREVSARCCBNWOH-UHFFFAOYSA-N 335.450 4.117 0 40 EIAB C[C@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2c2c(Cl)cccc21 488288 RGOIRMSFDXYJFH-XPTSAGLGSA-N 327.767 4.247 0 40 EIAB biogenic COc1ccccc1CC(=O)N(C)C(c1ccccc1)c1ccccc1 2662440 DHSMPXRCZGNGTO-UHFFFAOYSA-N 345.442 4.486 0 40 EIAB CCCc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 2887397 QJDAZQPINQTQMP-FNORWQNLSA-N 342.251 4.449 0 40 EIAB COc1cccc(NC(=S)NCCCSC2CCCCC2)c1 2933360 QOMGVAHJLUVUTQ-UHFFFAOYSA-N 338.542 4.438 0 40 EIAB COc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2o1 3263240 FILFVBYLGFFSPW-UHFFFAOYSA-N 348.811 4.221 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1c(F)cccc1Cl 3481148 FLKWYDIRBZOVST-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 3615175 FPOBTPVAYQVWCV-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 4385019 YWXPNYCXMLFQAG-CQSZACIVSA-N 337.398 4.106 0 40 EIAB COc1ccc(CCn2c(C)cc(-c3csc(N)n3)c2C)cc1 5689626 UKYHOVRJYKRDAA-UHFFFAOYSA-N 327.453 4.062 0 40 EIAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c(C)c1C 6667934 RSVKANFEVVSNQJ-ZDUSSCGKSA-N 329.465 4.060 0 40 EIAB COc1ccc(-c2cnnn2-c2ccc(-c3csc(C)n3)cc2)cc1 6937484 RMUUJAGEOBVVMZ-UHFFFAOYSA-N 348.431 4.375 0 40 EIAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6960306 SNRXUMQDFGYXDI-NJSLBKSFSA-N 349.386 4.218 0 40 EIAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccccc1 7785847 RMJNYPCXOQRAOZ-UHFFFAOYSA-N 344.458 4.348 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)Cc3cccs3)s2)cs1 7820507 BLZDLISXKLWLKC-UHFFFAOYSA-N 334.491 4.100 0 40 EIAB Cc1cc(-c2csc(Nc3ccccc3)n2)c(C)n1-c1nnc[nH]1 8156061 IJQXEDSFXLJMPV-UHFFFAOYSA-N 336.424 4.079 0 40 EIAB O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCSc2ccccc21 8325167 XGGGQBPJIJQQJW-INIZCTEOSA-N 343.423 4.142 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@@H](C)O)c1 8714214 VRGAXDURPYISGQ-OLZOCXBDSA-N 333.815 4.108 0 40 EIAB CC(C)Nc1nnc(SCc2coc(-c3cccs3)n2)s1 8728871 QRGGGBYVPDTRRZ-UHFFFAOYSA-N 338.483 4.367 0 40 EIAB C[C@H]1S[C@H](c2ccccc2)N(c2nc3ccccc3s2)C1=O 9227215 GCGRKQMTLZEACL-BDJLRTHQSA-N 326.446 4.463 0 40 EIAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1 9427968 ALYYNQRUNLNXEB-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB Clc1ccc([C@@H]2C[C@@H](c3ccco3)n3ncnc3N2)cc1Cl 12469102 WWHJTHRTEUEZHH-STQMWFEESA-N 335.194 4.324 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(C)c1 12866244 DHOVLDNJWMXLHO-OAHLLOKOSA-N 343.448 4.431 0 40 EIAB Cc1nc(COc2cccc(C(=O)Nc3ccc(F)cc3)c2)cs1 12993487 WKQLCDIOIMFSSQ-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2n1 13818043 HVGRDFGKUZFICE-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(F)cc1F 14244064 WDTZGLSLDUFCPV-WDEREUQCSA-N 339.769 4.263 0 40 EIAB Cc1cc(F)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl 15497521 HAMBQEBJUGHLAV-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB COc1cccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)c1 15829249 DRZVGWMIUUMKNB-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB CN(CCC(=O)N1CCc2ccccc21)Cc1ccc2ccccc2c1 22199398 HFNIBUOIGGTGJL-UHFFFAOYSA-N 344.458 4.251 0 40 EIAB CCc1ccc([C@@H](NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C(C)C)cc1 24106964 SQSLOSZHPZQCSC-XNMUZJSGSA-N 341.495 4.458 0 40 EIAB O[C@H](COc1ccc2ccccc2c1)CN1CCCc2ccccc21 27529402 ZRANKJWFECSZPK-FQEVSTJZSA-N 333.431 4.032 0 40 EIAB Cc1ccsc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 27921864 CAACFTPFNPPEQW-UHFFFAOYSA-N 343.427 4.310 0 40 EIAB O=S(=O)(Nc1cccc(F)c1)c1ccc(Oc2ccccc2)cc1 38772279 LKLNFLIPSQVWOI-UHFFFAOYSA-N 343.379 4.419 0 40 EIAB CCc1nnc(C2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)s1 38900566 GWBMPNRHXPGUSN-INIZCTEOSA-N 343.496 4.000 0 40 EIAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40096166 IRWAYAJXUDSTFC-VIFPVBQESA-N 336.741 4.155 0 40 EIAB Cc1c(C(=O)N[C@@H]2CCSc3ccccc32)oc2c1C(=O)CCC2 40131088 PRACBPGFAWORQZ-CYBMUJFWSA-N 341.432 4.074 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)ccc1F 40478282 PDDZTBCXQSQOCH-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1cc(OC[C@@H]2CCCNC2)c(Br)c(C)c1Cl 42774447 FFPJUSCTCRMBLA-LLVKDONJSA-N 332.669 4.098 0 40 EIAB CC(C)OCc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 48355512 TUQDYWJEAGTJDH-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB CC[C@H]1CCCCN1C(=O)c1cccc(OCc2c(C)noc2C)c1 50124103 IKSHUQFXNNVEHZ-KRWDZBQOSA-N 342.439 4.275 0 40 EIAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1)CO3 55393853 LGLIMXNFCHHIKW-UHFFFAOYSA-N 349.430 4.406 0 40 EIAB CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 58137395 BDVHQQXQWXZIAJ-UHFFFAOYSA-N 331.375 4.299 0 40 EIAB CCc1ccc(CNC(=O)c2cnn(C(C)C)c2C(F)(F)F)s1 58329891 LQKCEBMKOMKWSZ-UHFFFAOYSA-N 345.390 4.037 0 40 EIAB C[C@@H](c1ccccn1)N(C(=O)Cc1ccccc1C(F)(F)F)C1CC1 69460942 IHRYYNSIWSXNMF-ZDUSSCGKSA-N 348.368 4.395 0 40 EIAB CCCc1noc([C@H](C)Nc2ccc(N3CCSCC3)cc2C)n1 71847859 ADHJGZULVAQHOD-AWEZNQCLSA-N 346.500 4.057 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 72227807 LZNRWHKKEUWPNS-KBPBESRZSA-N 341.625 4.062 0 40 EIAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(C)cc4)C3)n2)c1 72369865 DHDWGTMSHGPINJ-SFHVURJKSA-N 349.434 4.043 0 40 EIAB O=C(NCC1(c2cccs2)CC1)c1ccc(OC(F)(F)F)cc1 75170125 KAVKTXLVXVSXIS-UHFFFAOYSA-N 341.354 4.108 0 40 EIAB C[C@H](C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1)n1ccnc1 79073578 RDDBNXWRGRKCHJ-FOIQADDNSA-N 345.402 4.096 0 40 EIAB C[S@](=O)c1ccccc1NC(=O)N1CCCCC[C@H]1c1ccco1 80133672 JLDYSJZXIMBMHD-IZHWHUGBSA-N 346.452 4.166 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c(Cl)c1 83562320 GKVGNCJNIAXOPV-NDGTYSDOSA-N 349.862 4.483 0 40 EIAB Fc1cc(Br)ccc1CNc1ccn(-c2ccccc2)n1 95365082 HDCIRRRGWDHWMZ-UHFFFAOYSA-N 346.203 4.386 0 40 EIAB CO[C@H](CNC(=O)CCc1cccc(Cl)c1)c1ccccc1C 96389246 AVOBKMFDBJLHCP-GOSISDBHSA-N 331.843 4.085 0 40 EIAB Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccc(O)cc2)s1 96402796 LGTBRJKPGGVDFV-GVDBMIGSSA-N 327.449 4.229 0 40 EIAB Cc1cc(-c2nnc(CN[C@@H](C)[C@@H](C)c3ccccc3)o2)c(C)o1 97109997 WLSVMDUXWMXXQJ-KGLIPLIRSA-N 325.412 4.228 0 40 EIAB COc1ccccc1-n1nc(C)c(Cc2cccc(Cl)c2)c1O 100139206 BWJBGJRMDMLFLQ-UHFFFAOYSA-N 328.799 4.139 0 40 EIAB Cc1ccc(S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 100912073 QDJSNDWKIXRDJL-HNNXBMFYSA-N 331.824 4.073 0 40 EIAB C/N=c1/scc(-c2c(-c3ccccc3)n(C)c3ccccc23)n1C 103374534 ANLXWJBUFSKFHY-QZQOTICOSA-N 333.460 4.443 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 216351434 XNTLYRNIHKUOJV-ITOSSNOYSA-N 331.431 4.068 0 40 EIAB COc1ccc(CN(C)C(=O)c2ccccc2SC(C)C)cc1 219652775 IZHYZXTXDGSFHE-UHFFFAOYSA-N 329.465 4.468 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1 223694351 CSZXHNOWVDXIDE-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 225150848 RPRQSWXYGXZXSV-MRXNPFEDSA-N 325.408 4.036 0 40 EIAB COc1ccccc1CCCNC(=S)Nc1ccc(C)c(C)c1 225549060 AWGBZYOLEKCZOJ-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB CCOc1ccccc1NC(=S)NCCCN1CCCC[C@@H]1CC 225580958 RKJTYIKBRNAMTE-INIZCTEOSA-N 349.544 4.026 0 40 EIAB O=C(/C=C/c1cccs1)NCc1cncc(-c2cccs2)c1 225663643 VWZTYPISNXVCJV-AATRIKPKSA-N 326.446 4.201 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2cccc(C)c2C)c1 225765352 RVLUMOUEJJBPOA-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(O)ccc2Cl)n1 331990123 USJDSLGPVFXTFO-CQSZACIVSA-N 336.844 4.178 0 40 EIAB CCc1ccc([C@H]2CCCCCN2C(=O)c2cnc(C3CC3)nc2)o1 514776727 HBHYZDJRYNETSX-QGZVFWFLSA-N 339.439 4.267 0 40 EIAB OCCC[C@@H](NC1CC(COCc2ccccc2)C1)c1ccccc1 1615614626 HUBJGTWFMHXLPO-KITAHSCOSA-N 339.479 4.085 0 40 EIAB O=C(NCCc1nc(-c2ccccc2)cs1)C1(c2ccccc2)CC1 36885 VQNKLHMZRYNOCT-UHFFFAOYSA-N 348.471 4.201 0 40 EIAB Clc1ccc(-c2nnc(SCc3ccon3)o2)c(Cl)c1 104260 XNRFSWILXRBIBM-UHFFFAOYSA-N 328.180 4.324 0 40 EIAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(F)cc3)c(O)cc12 205491 MPHMAUUBLYXCGK-UHFFFAOYSA-N 327.355 4.175 0 40 EIAB aggregator COc1ccc(OC)c([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1 818091 WDPAWIROLZAUGQ-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB Cc1cc(Cc2c(F)c(F)c(Cc3cc(C)no3)c(F)c2F)on1 1640689 VAHGVYUAGUEWDF-UHFFFAOYSA-N 340.276 4.017 0 40 EIAB COc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 3115835 XLRMWDSFHFEDMJ-UHFFFAOYSA-N 327.387 4.129 0 40 EIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 3597830 ZDQJDWOJIYOIHX-QPJJXVBHSA-N 335.281 4.086 0 40 EIAB CCOc1ccccc1NC(=O)CSc1cn(C)c2ccccc12 4060506 SFXZAEYYYDZKQW-UHFFFAOYSA-N 340.448 4.308 0 40 EIAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 4649098 DKTLQBCXTBQQOX-UHFFFAOYSA-N 326.396 4.076 0 40 EIAB COc1ccc2ccccc2c1[S@@](=O)NCc1ccc(Cl)cc1 4650752 XFXZZIFHDSZDPJ-QHCPKHFHSA-N 345.851 4.314 0 40 EIAB Cc1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 4979522 JRMVFTGZEWUNJF-SZVBFZGTSA-N 346.467 4.464 0 40 EIAB O=c1c2c3c(sc2ncn1Cc1cccc2ccccc12)CCC3 6111449 CZBZHYIDWSAGDC-UHFFFAOYSA-N 332.428 4.148 0 40 EIAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1F)CCCC3 6537559 GIVKUCVPXCDCAM-UHFFFAOYSA-N 332.425 4.128 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccccc2N2CCCC2)N1C1CC1 8721306 LCZCIUHSMNMDBD-FQEVSTJZSA-N 333.435 4.016 0 40 EIAB Fc1ccc(N2CCn3c(SCc4ccccc4F)nnc32)cc1 9574098 YCDSZSOPZHXXBJ-UHFFFAOYSA-N 344.390 4.000 0 40 EIAB c1csc([C@@H](CNc2ncnc3sccc23)N2CCCC2)c1 12747945 QIXMDIUHESGGMI-CYBMUJFWSA-N 330.482 4.002 0 40 EIAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 12773363 PTBYQWLNBXUIQE-PXAZEXFGSA-N 348.368 4.310 0 40 EIAB CC(C)c1ccc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2)cc1 12913473 TZUBGIYRPVHHGZ-NPMXOYFQSA-N 329.465 4.086 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)cc1 13068490 KLUZKUVNWJEAOB-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB CCOc1ccccc1NC(=S)N[C@@H](C)CCc1ccccc1 13820371 ACKSGIZWKPNUDA-HNNXBMFYSA-N 328.481 4.393 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1cnn(-c2ccccc2)c1 14796892 MIMLEEXUGFRVMU-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB CCN(CC)C[C@@H](Cn1c2ccccc2c2ccccc21)OC(C)=O 16839776 VEPHTFQHPLUECZ-KRWDZBQOSA-N 338.451 4.068 0 40 EIAB COc1ccccc1CN(C)C(=O)CSCc1cccc(Cl)c1 20452401 MSOXDTVURVAMQD-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB COc1ccc([C@H](C)NC(=O)CCSc2ccccc2)cc1OC 20492443 BGLQYMXCPYYURY-AWEZNQCLSA-N 345.464 4.063 0 40 EIAB c1csc(-c2nnc(SCc3nc(-c4ccsc4)no3)o2)c1 22885979 MJOYXJDHGLUZMW-UHFFFAOYSA-N 348.434 4.202 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1ccccc1Cl 27580715 AYRJBIDAZBOUBY-INIZCTEOSA-N 348.899 4.359 0 40 EIAB CN(C(=O)c1cc(F)ccc1Br)[C@H]1CCc2ccccc21 27823373 NVROFKAYPIZEDY-INIZCTEOSA-N 348.215 4.348 0 40 EIAB COc1cccc(C(=O)COc2ccc(Cl)c3cccnc23)c1 28047713 BSEWHAQNEAQSIQ-UHFFFAOYSA-N 327.767 4.159 0 40 EIAB O=C(Nc1ccc2c(c1)CCO2)c1ccc(SC(F)(F)F)cc1 32787483 BWWZLFXEVQCPLX-UHFFFAOYSA-N 339.338 4.486 0 40 EIAB O=C1C[C@H](c2ccsc2)c2snc(-c3cccc(F)c3)c2N1 35324572 WVZLAYPBXDZGLZ-GFCCVEGCSA-N 330.409 4.485 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CSc1nc3ccccc3o1)C2 36007549 ZOJYAXVXZMFELB-PEELUZDISA-N 344.480 4.251 0 40 EIAB Brc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1 39367382 HYVRJGYFYWLMIB-QGZVFWFLSA-N 332.241 4.102 0 40 EIAB COc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccsc3)coc2c1 46911998 BLPWEBVYIQSQTG-QGZVFWFLSA-N 341.432 4.409 0 40 EIAB CCCCCC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 48374282 ZCELGOZUEVDLTF-UHFFFAOYSA-N 342.414 4.275 0 40 EIAB CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(Cl)c1 57412791 CWXNAZPXCHSORN-UHFFFAOYSA-N 329.762 4.146 0 40 EIAB COC(=O)c1cc(OCc2ccccc2C)c2cc(F)ccc2n1 65033332 OHWCXLXMPOIEFW-UHFFFAOYSA-N 325.339 4.048 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)o1 71902459 HLVZKENEYAESOF-LLVKDONJSA-N 344.802 4.179 0 40 EIAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 72227804 VHVHUQAUFCRSCE-ZIAGYGMSSA-N 341.625 4.062 0 40 EIAB Nc1cc(Cl)c(NC(=O)c2ccccc2F)cc1N1CCCCC1 72229204 BURMZXOKNPKQEC-UHFFFAOYSA-N 347.821 4.304 0 40 EIAB CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccsc2)n1 72355671 QGPJMLWNUZSLMO-QGZVFWFLSA-N 338.480 4.228 0 40 EIAB Cc1cccc2nc(-c3cccc(I)c3)oc12 73639035 CDZJIORHTQQQRL-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB CC(=O)CCCSc1nnc(-c2ccccc2F)n1CC(C)C 84575343 KPGXXKVKEJVEJK-UHFFFAOYSA-N 335.448 4.202 0 40 EIAB FC(F)(F)c1nc(N[C@@H]2COc3ccccc32)c2ccccc2n1 84593253 DYCWEQJDGXQBFE-CYBMUJFWSA-N 331.297 4.194 0 40 EIAB CC(C)c1ccc(C[S@](=O)Cc2cc(F)cc3c2OCOC3)cc1 84625128 HRHXRTIPSZHLPL-XMMPIXPASA-N 348.439 4.265 0 40 EIAB COc1ccccc1[C@H](NC(=O)N(C)Cc1ccncc1)C(C)(C)C 88783532 NDCZUQQWFUNWMX-SFHVURJKSA-N 341.455 4.019 0 40 EIAB Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)c2ccccc2n1 89583033 MMHFOHZLUBQANJ-UHFFFAOYSA-N 349.453 4.395 0 40 EIAB CCc1oc2ccccc2c1CN(C)C(=O)C[C@H](O)c1ccccc1 91031102 YQMOMFSGSSCJLB-SFHVURJKSA-N 337.419 4.077 0 40 EIAB Cc1csc([C@@H]2CN(Cc3ccc(-c4ccccc4)o3)CCO2)n1 92789708 MZHPVMLYFXGRNQ-SFHVURJKSA-N 340.448 4.285 0 40 EIAB Fc1ccc([C@@H](NCc2noc(C3CC3)n2)c2cccs2)cc1 95409857 KIRZXWGJFIKAFU-MRXNPFEDSA-N 329.400 4.027 0 40 EIAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NC1CCCCCC1 95474530 NISNDJMOFNGLST-UHFFFAOYSA-N 345.874 4.420 0 40 EIAB CC[C@@H]1CCCCN1C(=O)Nc1cc(Br)ccc1OC 95954591 ULOVYEKUAQIVIS-GFCCVEGCSA-N 341.249 4.254 0 40 EIAB CCc1cnc([C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)s1 95968990 JFAQBXBPEXRCND-OLZOCXBDSA-N 345.468 4.074 0 40 EIAB Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 222858011 NDNHTNDJGWUNKR-UHFFFAOYSA-N 325.452 4.453 0 40 EIAB CCCc1ccc(OCCNC(=O)CCSc2ccccc2)cc1 223417407 ASGIKNVGBXFGSW-UHFFFAOYSA-N 343.492 4.317 0 40 EIAB CCCSc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 224195548 MNXPOAJNCTZRMN-UHFFFAOYSA-N 331.825 4.085 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccccc2F)cc1C 224369951 LZHZKTIRYZCIEA-UHFFFAOYSA-N 347.455 4.196 0 40 EIAB Cc1cccc(CSCCNC(=O)Cc2ccc(C)cc2C)c1 224515308 SZRHHVWFCCDGCU-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1 225599075 CROKPYYJQPWFQG-ZDUSSCGKSA-N 335.494 4.010 0 40 EIAB CCCN(CCC)C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531601 DSDLSTPXWGGGJD-SOAMZJECSA-N 325.537 4.091 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc(C(F)(F)F)nc1 390831756 UQUUXENIPNCBAQ-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)o1 408710472 LRSBMFOCTVOTDT-DHZHZOJOSA-N 325.755 4.042 0 40 EIAB O=C(NCc1ccc(C2CC2)nc1)NCc1cccc2ccccc12 585150340 ROAXRXVRLWNTBV-UHFFFAOYSA-N 331.419 4.112 0 40 EIAB O=C(NCc1ccc(F)cc1)NC[C@@H](c1ccsc1)c1ccco1 618257573 ZYIXPUDUBWPCHO-INIZCTEOSA-N 344.411 4.112 0 40 EIAB O=C(NCC[C@H]1CCc2ccccc21)c1cc(F)c2ncccc2c1 1534542822 ITMJJFYKDJEJNW-OAHLLOKOSA-N 334.394 4.224 0 40 EIAB O=C1N[C@H]2c3ccccc3O[C@@]3(CCCC[C@H]23)N1Cc1cccs1 1615056981 CEYCXVFIXUTUCW-HHXXYDBFSA-N 340.448 4.294 0 40 EIAB FC(F)(F)c1cc(N2CCC[C@@H](c3nc4ccccc4o3)C2)ncn1 1888899382 UKYMSFQCEOCKDH-LLVKDONJSA-N 348.328 4.021 0 40 EIAB Cc1cccnc1NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 257288 VLXCOQSXWKSIPP-UHFFFAOYSA-N 337.423 4.161 0 40 EIAB O=C(Nc1ccccc1Cl)c1cc2cc(Cl)ccc2oc1=O 368128 JSLRKUDMIFUNNK-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB O=C(O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 383023 VXTCEUDVOCLEJG-UHFFFAOYSA-N 345.358 4.053 0 40 EIAB in-vivo COc1cccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)c1 531924 NHEILUXZPKBHNZ-SJORKVTESA-N 340.814 4.086 0 40 EIAB COc1ccccc1[C@H]1Nc2ccccc2[C@@H](OC(C)=O)C1(C)C 576535 LLXWSMOOHBWXTE-RTBURBONSA-N 325.408 4.492 0 40 EIAB COc1ccc(Cl)cc1NC(=O)OCC(Cl)(Cl)Cl 1741791 UYTVVJBYNLFSIZ-UHFFFAOYSA-N 332.998 4.267 0 40 EIAB Cc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 2310113 YIGZGPZMEFPPPN-UHFFFAOYSA-N 329.407 4.235 0 40 EIAB CC(C)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1 2636008 NZRYZYXSPMCSAW-UHFFFAOYSA-N 348.345 4.451 0 40 EIAB COc1ccccc1CCC(=O)NCc1ccc(Cl)cc1Cl 3524208 MRZMCFMRWHBTHC-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB COc1ccc(-c2nnc(Nc3nc4ccc(F)cc4s3)o2)cc1 4137794 NUBIJBKIQIWHFX-UHFFFAOYSA-N 342.355 4.238 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1cc(F)ccc1C 5688242 KFUCIPJIJNRPHD-UHFFFAOYSA-N 331.387 4.331 0 40 EIAB COC[C@H](C)n1c(-c2cccs2)cs/c1=N\c1cccnc1 5693486 IPPXBMDRWZNMAA-UFZXGQNFSA-N 331.466 4.113 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 6639285 VPXFQXYYNWTVCG-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1 6792853 OBOFJYFVCDNFOT-UHFFFAOYSA-N 333.390 4.109 0 40 EIAB Cc1nc(Nc2ccc3cn[nH]c3c2)c2c3c(sc2n1)CCCC3 6909044 PIJZHLBVFMZKGV-UHFFFAOYSA-N 335.436 4.498 0 40 EIAB Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)cc1 7390718 GCMZIJLQNPQMBB-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB CC(C)n1ncc2c(C(=O)NC(C)(C)C)cc(-c3ccccc3)nc21 7471175 FVDVAKWDFLDFOF-UHFFFAOYSA-N 336.439 4.208 0 40 EIAB Cc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 7499929 VNWPCPJYQFMXOH-UHFFFAOYSA-N 341.461 4.411 0 40 EIAB CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1C1CC1 7618716 GLHANURTBGZDQX-NSHDSACASA-N 341.440 4.079 0 40 EIAB CCOc1c(Cl)cc(CNCCc2ccc(OC)cc2)cc1OC 8253390 NYHIKNOMQNNQQK-UHFFFAOYSA-N 349.858 4.088 0 40 EIAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl 8267800 CGSCAGIEIYXAOJ-QWHCGFSZSA-N 341.282 4.444 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)N2CCCc3ccccc32)CC1 9062563 YLQCWCQYKIUSPV-UHFFFAOYSA-N 348.490 4.186 0 40 EIAB COc1cc(-c2csc(NCc3ccco3)n2)cc(OC)c1OC 9314210 QDFWBYHXEDMTFD-UHFFFAOYSA-N 346.408 4.041 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 9357035 FCBLEBMPIOIBRQ-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB COc1ccc(/C=C(\Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1C 9449668 OHBUTZBEMSFBND-GDNBJRDFSA-N 340.810 4.285 0 40 EIAB C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1 9453933 FDVDAJNEMJJENW-ZDUSSCGKSA-N 333.370 4.128 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1ccc(Cn2cccn2)cc1 10642415 QGQNSWVKJPVOLW-UHFFFAOYSA-N 333.435 4.309 0 40 EIAB Clc1ccc(C2=NN=C(NCCc3cccs3)SC2)s1 11127628 CYVUBWDRSFAMAH-UHFFFAOYSA-N 341.914 4.102 0 40 EIAB O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)cc1Cl 12551595 QGDFZAXHEYACNL-UHFFFAOYSA-N 348.233 4.163 0 40 EIAB Cc1nn2c(nc(N(C)Cc3ccco3)c3ccccc32)c1Cl 16737890 MKQFRHYJKDEXCC-UHFFFAOYSA-N 326.787 4.074 0 40 EIAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 17959568 OWTIXFCBVBSRGZ-ZDUSSCGKSA-N 325.799 4.017 0 40 EIAB COc1cccc2cc(CN3CCC(N4CCC[C@H](C)C4)CC3)oc12 19496483 CNXAZZWCLQSJSK-INIZCTEOSA-N 342.483 4.138 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)c(Cl)c1 20485083 LKNOJOGUZICNOY-DHZHZOJOSA-N 329.783 4.169 0 40 EIAB CC(C)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 22235217 AKHLTOORKGVLFF-UHFFFAOYSA-N 346.430 4.323 0 40 EIAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cn(C)c2ccccc12 23786271 DJSACGKMJNWNNR-UHFFFAOYSA-N 344.361 4.052 0 40 EIAB CC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccccc2Cl)cc1 25624325 MTBQPTCJASANLC-LBPRGKRZSA-N 331.799 4.145 0 40 EIAB O=C(NCC1(c2ccccc2)CCCC1)c1cc(-c2ccco2)on1 26653655 LRDKERCIXHRWFU-UHFFFAOYSA-N 336.391 4.176 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 30754126 LQCSHWQWCBKHIX-GOSISDBHSA-N 336.479 4.472 0 40 EIAB Cc1c(C(=O)NCCN(C(C)C)C(C)C)oc2ccc(Cl)cc12 32738082 UZGXTNDLLXVKKK-UHFFFAOYSA-N 336.863 4.243 0 40 EIAB COc1ccc2cc(C(=O)Nc3cccc4ccccc34)c(=O)oc2c1 33809472 JTOSSOHXBKKGLW-UHFFFAOYSA-N 345.354 4.207 0 40 EIAB Clc1cccc(Cl)c1COc1cccc(CNc2ncn[nH]2)c1 35287347 ZXURUAFDDMXOAQ-UHFFFAOYSA-N 349.221 4.303 0 40 EIAB CCC[C@H](C)N(C)Cc1nc(-c2cc(Br)cs2)no1 56284311 QGHVMJYBQLXYMD-VIFPVBQESA-N 344.278 4.181 0 40 EIAB CCCN(Cc1nc(O)c2sccc2n1)Cc1ccccc1Cl 57315500 NFOHIPJNAWZYCJ-UHFFFAOYSA-N 347.871 4.463 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)COc1ccc(C(C)C)cc1 57315969 WPKHEBXUSGKNOP-UHFFFAOYSA-N 341.436 4.141 0 40 EIAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 57369625 GSANSHMHDXCJMM-OXJNMPFZSA-N 334.463 4.022 0 40 EIAB CC(C)(NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 58159804 QHBJHRNQKWBBFR-UHFFFAOYSA-N 335.350 4.042 0 40 EIAB O=C(CNc1ccc2nc(C3CC3)sc2c1)NC1CCCCCC1 63890508 HDEBPCCERGALDT-UHFFFAOYSA-N 343.496 4.425 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)CCCC(=O)c1ccc(F)cc1 65005123 RLIMEXJHBQAYDF-UHFFFAOYSA-N 345.418 4.212 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C 72214753 NHTXZKJFSZAGEN-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB COc1ccc2ccccc2c1Cn1c(=S)[nH]c2ccccc2c1=O 74253740 MYHLTOIQHARWSI-UHFFFAOYSA-N 348.427 4.269 0 40 EIAB CCOC[C@H]1CCCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 79306212 XDIUHBKNPMYFPL-GJZGRUSLSA-N 336.501 4.391 0 40 EIAB CN1CCN(C(=O)Nc2cccc3ccccc23)[C@@H](c2ccccc2)C1 85468165 FPIAYDOOQSMISZ-OAQYLSRUSA-N 345.446 4.360 0 40 EIAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1C 103925409 ZYHCYGGAYWKPTD-CRAIPNDOSA-N 342.508 4.243 0 40 EIAB C[C@@H](NC(=O)N1CCc2ccccc2C1)c1nc(C(C)(C)C)cs1 106573829 AQMIKWCQUMOCKL-CYBMUJFWSA-N 343.496 4.270 0 40 EIAB O=C(NCCOCc1ccccc1)/C(=C/c1ccco1)c1ccccc1 223430332 HJSXRLPYOLMAIH-LTGZKZEYSA-N 347.414 4.153 0 40 EIAB Nc1nc(Cl)cc(NCCC(c2ccccc2)c2ccccc2)n1 225207307 SJCFOEVIHKVAAB-UHFFFAOYSA-N 338.842 4.346 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 225473302 ZDQFFCCUGHCTLM-LBPRGKRZSA-N 346.427 4.050 0 40 EIAB COc1cc(CNC(=S)Nc2cccc(C)c2)ccc1OC(C)C 225529914 GDEULPBLAOASAU-UHFFFAOYSA-N 344.480 4.277 0 40 EIAB O=C(CCc1cccc(Cl)c1)NCc1cccnc1-c1ccco1 225660851 KPRCKUNUSVREMD-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB Cc1cccc(NC(=S)NCCCc2cccc3ccccc23)n1 225809495 NCWHWOWTFISMTF-UHFFFAOYSA-N 335.476 4.462 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCCC[C@H]1C 226329937 KTLXXCNJKKJCSX-CQSZACIVSA-N 341.430 4.347 0 40 EIAB O=C(Nc1cccc(Oc2ccccc2)c1)c1csc2cncn12 509789422 KTRCZDYMASXCBH-UHFFFAOYSA-N 335.388 4.440 0 40 EIAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2ccoc2)o1 575611304 UOLZHTCKGXZDSZ-UHFFFAOYSA-N 330.771 4.192 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(CCc1ccc(Cl)cc1)CC1CC1 604852286 DLYSPFZMIBATJG-LNLFQRSKSA-N 329.871 4.333 0 40 EIAB Cc1nc(Oc2ccc(-n3cccn3)cc2)c2c3c(sc2n1)CCC3 606156062 UHRVDUYFTJIEJV-UHFFFAOYSA-N 348.431 4.466 0 40 EIAB CC(C)Cn1ncc(NC(=O)NC[C@H]2CCCC23CC3)c1C(C)C 626467115 CYZYHXYTVNTPQF-OAHLLOKOSA-N 332.492 4.364 0 40 EIAB CCc1nnc(C2CCN(c3nc4ccccc4s3)CC2)s1 2086865974 DHYXOJFIFLCFOA-UHFFFAOYSA-N 330.482 4.094 0 40 EIAB CCOC(=O)/C(=C/c1cc2c(cc1Cl)OCO2)c1ccccc1 1595746 QQXLTUCDCKEZFU-RIYZIHGNSA-N 330.767 4.172 0 40 EIAB COc1cccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1 2200803 RPWRCXXJDFNLSX-MRXNPFEDSA-N 336.218 4.149 0 40 EIAB O=C(NCCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 3327528 PWPYJZYJUNLCMO-UHFFFAOYSA-N 336.410 4.158 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c1 4179216 SQBCHPAUYMODSD-VZJWBNGJSA-N 345.398 4.099 0 40 EIAB CCCCCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(C(F)(F)F)C1 4903162 TYDSLBPWXLEJAC-MRXNPFEDSA-N 342.361 4.028 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 5861973 BGJSEBWNTXHGHB-UHSVVUDUSA-N 333.859 4.192 0 40 EIAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCCCC2)o1 7339554 GLOXMKUAUIBLSJ-UHFFFAOYSA-N 338.411 4.076 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)c2ccc(C)cc2C)o1 7572768 HHNSGYVDYSLJPS-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB COc1cc(C)c(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1C(C)C 7603837 UAPBJLWCKPFBKH-NVNXTCNLSA-N 348.424 4.036 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1 8156310 OCMMLWLQVOEXCB-UHFFFAOYSA-N 338.407 4.076 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(Br)s1 8189375 VBXGKIYXOXRLDY-UHFFFAOYSA-N 326.215 4.162 0 40 EIAB COC(=O)c1cc(-c2ccc(C)cc2)nc2onc(-c3ccco3)c12 8337898 FCFDQKMSAWPSPQ-UHFFFAOYSA-N 334.331 4.245 0 40 EIAB Cc1nc2ccc(Br)cc2c(O)c1CN1CCC[C@@H](C)C1 8714160 SOAHYGFICXUGFS-LLVKDONJSA-N 349.272 4.243 0 40 EIAB O=C(O)[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 11864239 HWJSUJJXYKYGKB-ZDUSSCGKSA-N 341.588 4.307 0 40 EIAB O=C(CC1CCCC1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 12766544 CJOQLMXEMBAMKG-OAQYLSRUSA-N 333.435 4.349 0 40 EIAB O=C(NC1CCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 12866997 CYSCPWRWEGIGGX-UHFFFAOYSA-N 348.855 4.326 0 40 EIAB CC[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 12933048 QSPRCYNLGQEUDT-FUHWJXTLSA-N 329.827 4.219 0 40 EIAB C[C@@H](NC(=O)CN(C)C1CCCCC1)c1ccc(Cl)c(Cl)c1 16334365 RKSCDTCXFMBOAF-GFCCVEGCSA-N 343.298 4.435 0 40 EIAB c1ccc(CCCN2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 19371050 MWUNQGLDEGNUDV-MRXNPFEDSA-N 339.464 4.220 0 40 EIAB CC(C)Nc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1 19450358 MFIXGYQZMIRICI-UHFFFAOYSA-N 327.819 4.018 0 40 EIAB O=C(CSCc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 20112687 VTNKRDFIVKLSJT-UHFFFAOYSA-N 333.472 4.144 0 40 EIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc2ccccc2o1 20139654 OVFVHLPJRKVPOT-UHFFFAOYSA-N 345.738 4.045 0 40 EIAB CC(C)COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20142008 KNRMBANRNQBPPF-UHFFFAOYSA-N 347.798 4.325 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)cc2C)c1 20142168 PNSCPZHYTAGGAP-ZDUSSCGKSA-N 327.380 4.123 0 40 EIAB O=C(CSc1ccc(F)c(F)c1)N[C@@H](c1ccccc1)C1CC1 22134984 NBSNAHBVMXJBLI-SFHVURJKSA-N 333.403 4.324 0 40 EIAB CC(C)CC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 22197104 ALBBNSDQHWVWSD-UHFFFAOYSA-N 336.229 4.371 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCCN(C)c2ccccc2)cc1 24589362 KKXBEKOTPINRBL-KRWDZBQOSA-N 342.508 4.118 0 40 EIAB CN(C(=O)CSc1nc(C2CC2)nc2ccccc12)C1=CCCC1 25045907 SOMIFDGRCWAIEN-UHFFFAOYSA-N 339.464 4.126 0 40 EIAB Fc1ccc(Br)cc1CN[C@H]1CCOc2ccccc21 25357292 DRQPZROIBIYNNZ-HNNXBMFYSA-N 336.204 4.202 0 40 EIAB CCn1c2ccccc2c2cc(N[C@@H](C(N)=O)c3ccccc3)ccc21 26159952 PVRLFIRZVIXZQC-OAQYLSRUSA-N 343.430 4.453 0 40 EIAB C[C@@H]1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)C1 29509792 IKRBDGXMXFLLST-CYBMUJFWSA-N 346.521 4.200 0 40 EIAB O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1ccco1)Cc1ccco1 30469682 NVSPBYWMSGPOTJ-UHFFFAOYSA-N 338.338 4.336 0 40 EIAB NC(=O)c1cccc2c1CCCN2Cc1ccc(Cl)cc1Cl 32916311 QJMNZASUKUMSEO-UHFFFAOYSA-N 335.234 4.045 0 40 EIAB Cc1cc(C(=O)Nc2ccc3ccccc3n2)c2cnn(C(C)C)c2n1 40023481 YOSCHLHHAZYOTG-UHFFFAOYSA-N 345.406 4.121 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1C 45889156 FVUWUNUUFXJGCD-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)on1 47287628 KFOWZXKCOQGPLG-AWEZNQCLSA-N 330.453 4.291 0 40 EIAB O=C(Nc1nc(-c2ccco2)cs1)[C@H](c1ccccc1)n1cccc1 49030854 BUIGZGXAYGBSHI-KRWDZBQOSA-N 349.415 4.433 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccco1)C1CCCC1 56106671 QUWRELPOANLOJQ-WYMLVPIESA-N 331.437 4.025 0 40 EIAB O=C(NCc1cccnc1)N1CCc2sccc2[C@H]1c1ccccc1 58054679 PFBDGHDDNRODLJ-LJQANCHMSA-N 349.459 4.000 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)c1nccc2ccccc12 63451307 YZHFFDAXUFJEHC-UHFFFAOYSA-N 331.419 4.477 0 40 EIAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213965 SSXXUBPHTGLZLR-LJQANCHMSA-N 335.451 4.413 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1 72273773 UDCMKNOLKHGTHB-IKGGRYGDSA-N 344.455 4.448 0 40 EIAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCc1ccccc1 76556361 DCUNGYXEKXGPNM-HXUWFJFHSA-N 347.462 4.353 0 40 EIAB O=C(Nc1cccc(Oc2ccncc2)c1)c1c[nH]c2ncccc12 78806402 YMRQWTSPCBVLKJ-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)Nc1cccnc1 95403839 FTUAWCHYAGFVPG-OAHLLOKOSA-N 332.407 4.369 0 40 EIAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2c(C)cccc2C)no1 95999096 IWHPSTHONPCOTN-OAHLLOKOSA-N 328.416 4.144 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1 102602053 ZEFIFGVSTCXILK-IPMKNSEASA-N 333.431 4.377 0 40 EIAB O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@@H]2CC[C@H]4CCCC[C@H]4[C@H]23)C1 104294095 URACDKFMGOHETL-FGSPNWDHSA-N 334.525 4.364 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc(C)cc1 113960774 GNECPGXTRVJTDG-ROUUACIJSA-N 341.451 4.429 0 40 EIAB O=C(Cc1ccsc1)Nc1ccccc1-c1cn2ccsc2n1 206894679 YIKQKCSUXLXQOD-UHFFFAOYSA-N 339.445 4.306 0 40 EIAB O=C(NC[C@H]1CCCN1c1ccccc1)c1ccccc1C(F)(F)F 207988206 RLKCAJGPEDGDGU-OAHLLOKOSA-N 348.368 4.104 0 40 EIAB O=C(c1ccco1)c1ccc(CNC(=O)c2ccccc2Cl)s1 211081529 NUAZOPCEOSOHKK-UHFFFAOYSA-N 345.807 4.156 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 225776761 DMQMZPXNZFRERC-GFCCVEGCSA-N 341.411 4.144 0 40 EIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c2ncccc12 225904230 JLNJUBRSPRDOSP-LJQANCHMSA-N 330.428 4.167 0 40 EIAB CSc1cccc(NC(=O)c2cc3cccc(C)c3oc2=O)c1 226035049 PMCIFFXSYZNNKL-UHFFFAOYSA-N 325.389 4.076 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2N)c1 226358824 CAYBFMJUOSEPDF-UHFFFAOYSA-N 332.831 4.372 0 40 EIAB CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 256052769 OPAQXUSZRRIFGJ-AWEZNQCLSA-N 335.835 4.384 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CSC(C)(C)C 390828438 BAUWNJWYPOYBCB-HOTGVXAUSA-N 335.513 4.367 0 40 EIAB C[C@@H](NC[C@@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 585134813 KOGXGQFSUDCGIM-VQIMIIECSA-N 336.435 4.158 0 40 EIAB COC(=O)c1cccnc1Oc1ccccc1OCc1ccccc1 2037888060 ALSZXTVIBCAAKN-UHFFFAOYSA-N 335.359 4.240 0 40 EIAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222202 FDNWTGCGATUOIG-IAGOWNOFSA-N 340.814 4.086 0 40 EIAB COC(=O)c1cc(-c2ccccc2)c2nonc2c1-c1ccccc1 386671 YFZNJXXOKSWQQE-UHFFFAOYSA-N 330.343 4.343 0 40 EIAB COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1Br 570558 SXNQPWRVOZHMDR-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB CCCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)O 2158359 HRJGAHMZYHEKBI-UHFFFAOYSA-N 333.409 4.251 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1cccc(Cl)c1C 2620606 FKWBTHHBUUUJAA-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB COC(=O)[C@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1 3311715 RHPBNWCDJSOARE-VIFPVBQESA-N 342.178 4.121 0 40 EIAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 3544521 NUSDFPBLCXDVSH-LBPRGKRZSA-N 340.473 4.366 0 40 EIAB O=C(Cc1cccs1)Nc1nnc(-c2ccc(Cl)cc2)s1 4087785 HYVJTMIDXFYJDR-UHFFFAOYSA-N 335.841 4.101 0 40 EIAB CCC[C@@H](C)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 4696191 FPAQKQGCZKEPKJ-SNVBAGLBSA-N 339.848 4.145 0 40 EIAB CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1cccc(C)c1)C2 4888104 DZOVUUTXQPFIKA-YQQQUEKLSA-N 329.488 4.302 0 40 EIAB Clc1cccc(CSc2nnc3ccc(-c4ccco4)nn23)c1 5168211 DAAFQKCWEBHWDH-UHFFFAOYSA-N 342.811 4.330 0 40 EIAB Cc1ccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 5234516 WNKGWNVAYNMRMD-UHFFFAOYSA-N 338.366 4.245 0 40 EIAB COc1ccc2[nH]c(C(=O)Nc3cnc4ccccc4c3)c(C)c2c1 5345872 RWUDCRFRRJDYFV-UHFFFAOYSA-N 331.375 4.285 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 6414830 QBQYRSVCSKJYFT-HZPDHXFCSA-N 340.467 4.270 0 40 EIAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1CCC1 6639071 RJHFIULKBUSMIQ-FQEVSTJZSA-N 333.387 4.435 0 40 EIAB Cc1cc2nc(Oc3ccc(-c4nnco4)cc3)c3ccccc3n2n1 7737830 XSODFVVDYOWQRK-UHFFFAOYSA-N 343.346 4.033 0 40 EIAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)cc1 8162832 VSTLFEMLSUCILX-FHLIRTJZSA-N 339.435 4.293 0 40 EIAB CCOc1ccc(-c2nnc(CN[C@@H](c3ccccc3)C3CC3)o2)cc1 9836452 ZVXWGGFIOCKIST-FQEVSTJZSA-N 349.434 4.376 0 40 EIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(Cl)s1)N3 11036544 FIRLEWMFAYZHBF-ZDUSSCGKSA-N 349.868 4.482 0 40 EIAB Cc1c(C(=O)NCc2nc(-c3ccccc3)no2)oc2c(C)cccc12 12202658 QEUXPVZRSFIYPK-UHFFFAOYSA-N 347.374 4.030 0 40 EIAB CN1CCN(c2ccccc2NC(=O)CCCC2CCCCC2)CC1 12606061 YJSNDPSFSJGBPA-UHFFFAOYSA-N 343.515 4.128 0 40 EIAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F 12676939 DPYLJPSTHMKXIE-SGTLLEGYSA-N 330.378 4.033 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCSc3c(F)cccc32)c1 12899626 BMFYQJFYZDKKFP-GUYCJALGSA-N 345.439 4.255 0 40 EIAB CC(C)N(C(=O)CSc1nncc2ccccc12)c1ccccc1 12918187 CACARKATYWVGPD-UHFFFAOYSA-N 337.448 4.164 0 40 EIAB Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12941427 QGIQGYNKCREKNE-SINXNMPMSA-N 349.430 4.143 0 40 EIAB CSc1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)s1 14109419 VYDINITWPLNSSC-SECBINFHSA-N 336.507 4.112 0 40 EIAB COc1cccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c1 14244078 JRIALBJJGRYEDU-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB CCc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 14251622 HAHYZXOOKOCSQG-FQEVSTJZSA-N 334.419 4.152 0 40 EIAB CC(C)/N=c1\ccccn1C(=O)/C=C/c1ccc(Cl)cc1Cl 14846303 XSGHGXUIQCDGGP-XZSNNUOASA-N 335.234 4.458 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(C[C@H](C)c1ccccc1)C3 20572579 HWZPVZSNPVNCHS-HNNXBMFYSA-N 335.403 4.057 0 40 EIAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3C)cc2s1 25425921 SCBSTENFBMEVJB-GFCCVEGCSA-N 325.437 4.352 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H]2c2cc(C)on2)c1 29234493 ANQLPBCGGGDNJY-GOSISDBHSA-N 342.439 4.157 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OC 31819571 IACVKGLSLZNTAD-HNNXBMFYSA-N 349.390 4.013 0 40 EIAB CN1Cc2ccccc2[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]21 32067497 MVWFZFKBSGHYMN-GGAORHGYSA-N 339.442 4.466 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 32721158 FZCXMTCLSPQOKD-CQSZACIVSA-N 327.424 4.404 0 40 EIAB C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccncc1 36664326 SSFNBCACCGBTDD-LBPRGKRZSA-N 349.415 4.442 0 40 EIAB CN1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 40157076 PJQWGZSONQAFJJ-CQSZACIVSA-N 348.368 4.059 0 40 EIAB Cc1noc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 49027267 RZKZYWUBDMNPMR-UHFFFAOYSA-N 347.296 4.316 0 40 EIAB Cc1c(O)ccc2c(CN3CCC[C@@H]3c3ccsc3)cc(=O)oc12 52803446 ZTXVCOXCEAIPCL-MRXNPFEDSA-N 341.432 4.206 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1 57351210 DVTBTFORGMKVKN-UHFFFAOYSA-N 325.437 4.428 0 40 EIAB Cc1ccc(-c2nc(C(=O)N(C)CCC(F)(F)F)cs2)c(C)c1 58316656 MQEINPIJEWFCHD-UHFFFAOYSA-N 342.386 4.451 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 59351910 AMYZTLXMGNCBGK-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB CCCC[C@H](CC)N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 59377759 FBZPJUVAFSWZLB-AVRDEDQJSA-N 337.463 4.499 0 40 EIAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccsc1 60748123 VHJDTAZMNZLQRO-UHFFFAOYSA-N 326.348 4.337 0 40 EIAB Cc1nccn1Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 65523523 WVANZUHGVWDDNR-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB CN(C(=O)Nc1ccccc1)[C@@H](c1cccc(F)c1)c1ccccn1 65548702 YYDYDAXQJFPBBU-IBGZPJMESA-N 335.382 4.474 0 40 EIAB Cc1noc(C(C)C)c1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69655437 QBLCXZTYKNSWLH-UHFFFAOYSA-N 346.337 4.027 0 40 EIAB COCCn1ccc2c(NC(=O)c3cn(C)c4ccccc34)cccc21 70666584 RYPKXYUBUSUIDM-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 72227802 VHVHUQAUFCRSCE-UONOGXRCSA-N 341.625 4.062 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)c2)o1 72906187 PNSDEEYSQQRVPW-VHSSKADRSA-N 339.439 4.086 0 40 EIAB Cc1cc(CC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)no1 74251742 CKZKVVPKXUNZPF-OAHLLOKOSA-N 335.407 4.337 0 40 EIAB COc1nc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc2ccccc12 89410553 PORFBNXJOATOKC-UHFFFAOYSA-N 334.375 4.007 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cc(Cl)cn2C)c1 89905239 XRIHOWNTCCPHGU-LBPRGKRZSA-N 335.835 4.050 0 40 EIAB CSc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)o1 95395596 RNXGAJOSWDVYFK-KRWDZBQOSA-N 342.395 4.055 0 40 EIAB C[C@H](C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)C1CCOCC1 95439609 LGWROPMENODEJZ-JTSKRJEESA-N 349.474 4.375 0 40 EIAB COC1CCN(c2ccc(NC(=O)Nc3cccs3)cc2)CC1 96104515 HAPIQWAEPSZYEJ-UHFFFAOYSA-N 331.441 4.007 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@H]1c3ccccc3OC[C@]1(C)CO2 96306226 SYRZSOPNMJQENZ-TZIWHRDSSA-N 332.403 4.104 0 40 EIAB CSC[C@@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 96417998 SGEYMLYLWFFIKO-GFCCVEGCSA-N 333.482 4.027 0 40 EIAB CC/C=C(\C)C(=O)N(CC)[C@@H](c1ccc(OC)cc1)c1cccnc1 98009992 IWWIJSGREJPBCB-GNYRPXIHSA-N 338.451 4.384 0 40 EIAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(OC(F)F)cc2)C1 108358156 RUCICVQYYCWHHY-XIXAKLKSSA-N 345.455 4.018 0 40 EIAB O=C(NCc1cccs1)N1CCS[C@@H](c2ccccc2)CC1 211144566 RIFAHCKMYPGCFH-MRXNPFEDSA-N 332.494 4.138 0 40 EIAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc1F 216096280 LYQAXZLNDNAJLT-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB C[C@H]1CCCCN1c1ncc2c(n1)C[C@@H](/C=C/c1ccccc1)CC2=O 216104391 DFGAGBVZPFPGFK-KTGWGUMDSA-N 347.462 4.314 0 40 EIAB COc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225101799 BUHFUSZKOBQOAH-GOSISDBHSA-N 328.408 4.067 0 40 EIAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)N1CCCCC1 225150592 OXBFAKHWOPQTII-SFHVURJKSA-N 341.476 4.319 0 40 EIAB CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)nc1 225753140 YLHQKKNDZBJXHR-UHFFFAOYSA-N 337.379 4.062 0 40 EIAB COc1cccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225917835 VZZUBQSOAKXYTD-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB CSc1nc(C)cc(Nc2ccc3sc(C(=O)O)cc3c2)n1 226105604 OXPZNTNYWUZUQH-UHFFFAOYSA-N 331.422 4.163 0 40 EIAB COCc1ncsc1C(=O)N(CC(C)(C)C)c1ccc(F)cc1 252480028 BSLZLDUPOHOZTL-UHFFFAOYSA-N 336.432 4.122 0 40 EIAB COC(=O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 257313268 URPJQYNWTJXKRY-UHFFFAOYSA-N 346.373 4.144 0 40 EIAB CCOc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260788369 ZKMNCEOQANAPST-FSPWUOQZSA-N 339.464 4.070 0 40 EIAB Cc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(F)cc2)n1C 409205184 GIAJAHGQGJWQHR-VZCXRCSSSA-N 340.423 4.251 0 40 EIAB C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc3ccccc23)CC1 300540 XCNCPQPAEDAPFL-UTKZUKDTSA-N 336.479 4.176 0 40 EIAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 357714 JTOMTWQXFVRZHN-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB COc1ccc(OC)c(NC(=O)C2(c3ccccc3)CCCC2)c1 2512618 ZZKFRYYOFKZMPR-UHFFFAOYSA-N 325.408 4.154 0 40 EIAB COc1cc(NC(=O)Nc2ccccc2Cl)cc(OC)c1OC 3166344 WLHRVNBAHNQPJC-UHFFFAOYSA-N 336.775 4.010 0 40 EIAB c1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2cccs2)cc1 3372064 HBLJOAFFIFAIGI-AWEZNQCLSA-N 343.477 4.267 0 40 EIAB COc1ccccc1Nc1nc(C)c(C(=O)Nc2ccccc2)s1 3591878 VHDVQZLGAWEMGP-UHFFFAOYSA-N 339.420 4.456 0 40 EIAB CCC(CC)C(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078425 TVAAVFXHQHBRDI-UHFFFAOYSA-N 347.528 4.405 0 40 EIAB CCC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 4901686 YBNVBXWPBLRSJT-HXUWFJFHSA-N 338.451 4.046 0 40 EIAB CCn1cc(NC(=O)NCCc2ccccc2OC)c2ccccc21 5266072 ZUMONEQFENLMSV-UHFFFAOYSA-N 337.423 4.034 0 40 EIAB O=c1c2ccccc2nc(SCc2ccccc2)n1-c1cccnc1 6107724 JOEPMQIJPRAQMP-UHFFFAOYSA-N 345.427 4.073 0 40 EIAB O[C@H](CNc1ccc(Cl)cc1)COc1ccc(Cl)cc1Cl 6512558 NPOWJSVSNNEWOV-CYBMUJFWSA-N 346.641 4.499 0 40 EIAB COc1ccc([C@@H]2CN(C)C[C@H]2C(=O)c2ccc(F)cc2)cc1Cl 6639249 GTKAIZJKINJBJB-JKSUJKDBSA-N 347.817 4.016 0 40 EIAB C[C@H](NC(=O)COc1cccc(Cl)c1)c1cc2ccccc2o1 7890698 VGNVYMSVBOAMRT-LBPRGKRZSA-N 329.783 4.342 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 8140460 KEYPRTYZRQCJRE-CZUORRHYSA-N 332.444 4.342 0 40 EIAB O=C(COc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 9447690 IYVUPRIXWGVKCB-INIZCTEOSA-N 338.432 4.039 0 40 EIAB c1ccc(-n2cc(CNCc3ccco3)c(-c3cccs3)n2)cc1 9549215 GNHSYEUGCNYWBP-UHFFFAOYSA-N 335.432 4.484 0 40 EIAB Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 10351408 YKBYCKPRRQPDIL-UGSOOPFHSA-N 344.405 4.341 0 40 EIAB CCCOc1ccccc1NC(=O)CN1c2ccccc2CC[C@H]1C 11193088 MLGQZDSBKXOWDP-MRXNPFEDSA-N 338.451 4.255 0 40 EIAB Cc1cc(C)nc(Oc2cccc(NC(=O)c3ccccc3F)c2)n1 12089911 QWXBIJRKMJCPNT-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2Cl)cc1 13096119 DGIYNNPLAZIESB-ZDUSSCGKSA-N 344.842 4.002 0 40 EIAB CC(=O)Nc1nc2ccc(C(=O)N[C@H](C)CCCC(C)C)cc2s1 13726672 RFLOXTCEPGBVNY-GFCCVEGCSA-N 347.484 4.199 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1 13938317 URHHTQBRUUCGKO-UHFFFAOYSA-N 345.508 4.285 0 40 EIAB c1ccc(-c2cc(CSc3nnc(C4CC4)n3C3CC3)on2)cc1 14183728 ZZJZTXYUGJPXHM-UHFFFAOYSA-N 338.436 4.438 0 40 EIAB C[C@H](Sc1nccn1C)C(=O)n1c2ccccc2c2ccccc21 14608348 DXSUJJJPTCZBGF-ZDUSSCGKSA-N 335.432 4.349 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1ccccn1 14897556 VYYOKFLJJXDOMR-UHFFFAOYSA-N 328.368 4.010 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCCCC2)o1 15860202 GBWYVSQXFNSNAB-KRWDZBQOSA-N 346.858 4.198 0 40 EIAB O=C(Cc1csc(Nc2ccccc2)n1)Nc1cccc(F)c1 16850021 TZLVNPJECNFKQD-UHFFFAOYSA-N 327.384 4.207 0 40 EIAB C[C@H](CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 17796296 DURBBTVUYBLPOW-IAGOWNOFSA-N 333.435 4.243 0 40 EIAB C[C@]1(C(=O)NCc2ccc(Cl)cc2Cl)CC1(Cl)Cl 19166974 DXECWIKRMKTKOR-LLVKDONJSA-N 327.038 4.194 0 40 EIAB CCn1c(C(C)C)nc2cc(NC(=O)CC[C@@H]3CCCO3)ccc21 19524246 DCNLJEOSKHTLPD-HNNXBMFYSA-N 329.444 4.077 0 40 EIAB COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)NCC2 23230345 SXEUGKGJVRBMOH-IBGZPJMESA-N 341.451 4.093 0 40 EIAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1 23390538 IOIQRXNOMKOAOR-UHFFFAOYSA-N 335.407 4.431 0 40 EIAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)C1CCCC1 27922565 NJNYGGZWKGOJQF-UHFFFAOYSA-N 331.847 4.330 0 40 EIAB Cc1c(C(=O)O)sc2nc(-c3ccc(Cl)c(Cl)c3)cn12 33418592 NEEMKVYRRCMTMT-UHFFFAOYSA-N 327.192 4.376 0 40 EIAB Cc1ccc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)cc1C 38653019 CVZKDIKSEVLXEF-UHFFFAOYSA-N 349.365 4.011 0 40 EIAB CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832343 KZCPIRBZDRSOJX-GFCCVEGCSA-N 343.298 4.120 0 40 EIAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3F)cc2)CC1 38849263 YVEJAXJOPXTBRN-UHFFFAOYSA-N 326.415 4.310 0 40 EIAB CC1=C[C@@]2(Nc3ccccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40545555 IGLSWXZMDUBLNV-FQEVSTJZSA-N 331.375 4.134 0 40 EIAB CN(C)c1c(Cl)cccc1NC(=O)N1CCC(n2cccc2)CC1 58628410 RIUUQLCLNHUJBF-UHFFFAOYSA-N 346.862 4.077 0 40 EIAB COc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)cc1OC 71977577 LCDGPAVKZYEXDE-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB COc1ccc(-c2cc(-c3ccc(C)cc3C)nc(N)n2)cc1OC 71977959 MNOOYVKUAOPBBY-UHFFFAOYSA-N 335.407 4.027 0 40 EIAB Cc1ccc2c(C)c(C(=O)Nc3cc(-c4ccncc4)n[nH]3)oc2c1 72255969 ORQQWUCHPNIQSH-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)c1 72329208 CVJCRCOSPGPYIK-UHFFFAOYSA-N 349.434 4.139 0 40 EIAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@H](c1nccs1)C1CC1 74141775 RGGHJMHFVPSSQQ-HOTGVXAUSA-N 345.443 4.184 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1CNc1ccncc1Cl 75103582 GVDPIWAZMNQCFU-UHFFFAOYSA-N 326.831 4.209 0 40 EIAB Cc1noc(C)c1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 75134348 BVRQCJDYFBBMCK-LLVKDONJSA-N 342.424 4.298 0 40 EIAB O=C(CCCc1nnc(-c2ccccc2)o1)OC1CCCCCC1 79002403 QWVYZPNSIVFBFF-UHFFFAOYSA-N 328.412 4.325 0 40 EIAB O=C(Nc1cccc2ccccc12)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344726 ZDEABBAHRCGTOK-QZTJIDSGSA-N 345.398 4.353 0 40 EIAB Cc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)o1 96061588 XIKDOIIOTYQHOE-LEWJYISDSA-N 325.452 4.200 0 40 EIAB CC1(C)CC(=O)Nc2ccc(NC(=O)CCCc3ccccc3)cc21 96183011 RAYYCPGLWZIYMP-UHFFFAOYSA-N 336.435 4.268 0 40 EIAB Cc1nc2ccccn2c1CSc1nnc(C2CCCCC2)o1 96424830 RSBSHXBZYSPACQ-UHFFFAOYSA-N 328.441 4.366 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 96659452 FBCQRVFIGZVSNF-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 100425706 WHUWNAZQBGNWBT-HOTGVXAUSA-N 334.891 4.255 0 40 EIAB COc1ccc2c(C[C@@H]3C(=O)Nc4cc(Cl)ccc43)c[nH]c2c1 100794619 CMBYZRLJAGAANR-HNNXBMFYSA-N 326.783 4.108 0 40 EIAB biogenic O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCc2sccc2[C@H]1c1cccs1 102504701 JKJGXPKYGPFPOM-OVAAFMSASA-N 341.501 4.496 0 40 EIAB Clc1ccccc1CNc1cccc(Cl)c1N1CCOCC1 219633906 XMIHJBOCECPRGE-UHFFFAOYSA-N 337.250 4.442 0 40 EIAB Cc1cccc(CSCC(=O)N[C@H](C)COc2ccccc2C)c1 222744774 YDWNSQOREWPBLE-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB O=C(CSCc1ccccc1)NCc1cccc(C(F)(F)F)c1 223418832 ZZBVGAWOCDATMU-UHFFFAOYSA-N 339.382 4.255 0 40 EIAB Cc1ccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)cc1Cl 224119582 OMJGBTWDQXUKQF-CQSZACIVSA-N 349.883 4.324 0 40 EIAB Fc1cccc(NC(=S)NCCSCc2ccccc2F)c1 225412528 UJSJZLBGBZPOFP-UHFFFAOYSA-N 338.448 4.185 0 40 EIAB O=C1S/C(=C\C=C\c2ccco2)C(=O)N1CCc1ccccc1 409008395 XWAHUUBPEGAOAL-MMPACVFLSA-N 325.389 4.115 0 40 EIAB Cc1cccc(-c2noc([C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)n2)c1F 1615553264 WDKKOTQAZVNGDG-DDHJBXDOSA-N 342.292 4.007 0 40 EIAB O=C(NCc1cccc2ccccc12)NCC(F)(F)c1ccccc1 1677207120 SOXNCTRKFQSVAE-UHFFFAOYSA-N 340.373 4.431 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1cccs1 1775966575 MHJARTLUAFVSGG-LLVKDONJSA-N 335.475 4.002 0 40 EIAB Cc1nc2sc(C(=O)c3ccc(F)cc3)c(N)c2c2c1CCCC2 48856 HSHBJEXOJRSYQO-UHFFFAOYSA-N 340.423 4.436 0 40 EIAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCC3 55511 UHUBAJDMWGJQRY-UHFFFAOYSA-N 339.420 4.003 0 40 EIAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1 411263 ULWPNYOWSYXXIR-UHFFFAOYSA-N 326.377 4.154 0 40 EIAB c1ccc(CCNc2nc(-c3ccccn3)nc3ccccc23)cc1 532702 FIBATSPGNRZQTN-UHFFFAOYSA-N 326.403 4.346 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ncnc2sc3c(c12)CCCC3 543407 COEWBQGGHBEWRT-ZHACJKMWSA-N 335.432 4.222 0 40 EIAB CCOc1ccc(-c2cnc(NCc3cccc(OC)c3)n2C)cc1 819170 JUDOCXYCNGQLFN-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 899429 YHWNASRGLKJRJJ-QGZVFWFLSA-N 340.375 4.019 0 40 EIAB endogenous,in-man CSc1nc(NC2CCCCC2)c2cnn(-c3ccccc3)c2n1 1403695 XECKFPSKDQQVQM-UHFFFAOYSA-N 339.468 4.282 0 40 EIAB Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c2c1CCCC2 1472265 OMLDYFIWGCWVSF-UHFFFAOYSA-N 337.448 4.318 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1ccc(F)c(Cl)c1 2621477 MXFCOEDZUOWMDM-UHFFFAOYSA-N 337.778 4.285 0 40 EIAB COc1cc(C(=O)NC2CCCCC2)ccc1OCc1ccccc1 2632503 MSYFTMLYIPQFLX-UHFFFAOYSA-N 339.435 4.337 0 40 EIAB CCN(CCOC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 3382566 MASMZIWKTNBMNN-UHFFFAOYSA-N 339.222 4.072 0 40 EIAB CSc1ccc(-c2nnc(NC(=O)CCc3ccccc3)o2)cc1 4585623 SXIVPGSWXLRCTA-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB O=[S@](CCO)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5502096 CQZBPXCOWUGZST-INIZCTEOSA-N 342.458 4.054 0 40 EIAB COc1ccc(-c2nnc(S)n2-c2ccccc2C(C)C)cc1 6146371 TYDJBLSGEMFBIB-UHFFFAOYSA-N 325.437 4.355 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc12 6667910 ZEENWVIQNBKDIF-YOEHRIQHSA-N 347.480 4.096 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)n1C1CC1 7617303 IYQMRXTXFMAMPX-UHFFFAOYSA-N 344.484 4.084 0 40 EIAB Fc1ccc(-c2nnc(CN3CC=C(c4ccccc4)CC3)o2)cc1 7650853 AZWRGHGRTCVUBR-UHFFFAOYSA-N 335.382 4.165 0 40 EIAB Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc21 8782459 GJVNCNLKINIJLN-UHFFFAOYSA-N 343.333 4.179 0 40 EIAB CC(=O)Oc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 8907329 FZNXSDQGGLRJQQ-UHFFFAOYSA-N 345.398 4.383 0 40 EIAB CCOc1cc(O)c(-c2[nH]nc(C)c2-c2nc(C)cs2)cc1CC 9110903 QKYKAMAUUGFTMC-UHFFFAOYSA-N 343.452 4.484 0 40 EIAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 9691860 ALTHJSTVARDNQH-ZDUSSCGKSA-N 329.421 4.017 0 40 EIAB O=C(Nc1cccc(Br)c1)c1cc(-c2cccs2)on1 11914700 OLCCWYYEDUNONE-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB CC[C@H](C)C(=O)N1CCc2cc(-c3cn4ccc(C)cc4n3)ccc21 12088189 TZWQBOXVRSQULA-HNNXBMFYSA-N 333.435 4.245 0 40 EIAB CSCc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12556374 NHTKAKORHQOUGG-UHFFFAOYSA-N 338.476 4.324 0 40 EIAB Cc1ccccc1/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(N)=O 13942559 GSWFQFWEMNSCDA-FXBPSFAMSA-N 347.201 4.379 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1Cl 14423991 BZWGZTJLTQQJLW-UHFFFAOYSA-N 342.826 4.265 0 40 EIAB CCn1c(C)cc(C2=NN=C(Nc3ccccc3OC)SC2)c1C 15405316 DYNIADTVHASSMM-UHFFFAOYSA-N 342.468 4.052 0 40 EIAB COC(=O)c1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1 16363315 YTLQQKNHPDRBGE-UHFFFAOYSA-N 333.347 4.215 0 40 EIAB O=c1c2ccccc2nc2sc(-c3cc(Cl)cc(Cl)c3)nn12 17072337 QFBOZEVWNPQJEY-UHFFFAOYSA-N 348.214 4.278 0 40 EIAB CCCc1nnc(NC(=O)[C@@H](c2ccccc2)C2CCCC2)s1 18194395 BFMZPJKZBOXOTE-INIZCTEOSA-N 329.469 4.403 0 40 EIAB COc1ccc([C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C(C)C)cc1 19310793 SDDJWEPKPFNTFD-HIFRSBDPSA-N 330.255 4.092 0 40 EIAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cccc(Cl)c1 31094875 FJVFVMTUBQZSKE-UHFFFAOYSA-N 344.842 4.210 0 40 EIAB O=C(NCCCSc1ccccc1)[C@H]1Cc2ccccc2S1 31355297 VNYOLXATMITBEG-QGZVFWFLSA-N 329.490 4.002 0 40 EIAB COc1ccc(CC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 31806337 XRAYFQJMVAEJQA-LJQANCHMSA-N 329.465 4.347 0 40 EIAB COC(=O)c1cccc(OCc2ncc(-c3ccc(Cl)cc3)o2)c1 32764990 RQCMQCKOQLQMHU-UHFFFAOYSA-N 343.766 4.361 0 40 EIAB Cc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924750 GJIMQEAILVLHOD-UHFFFAOYSA-N 336.366 4.251 0 40 EIAB O=C(CCC1CCCC1)NCc1ccc(OCc2cccnc2)cc1 36394594 DTIAVNJAMIRKEA-UHFFFAOYSA-N 338.451 4.247 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccc(C)o3)o2)cc1 39538294 LLFIYJGGEBNPNL-UHFFFAOYSA-N 338.407 4.143 0 40 EIAB C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccncc1 44869139 RLKGAZOSHFKSGR-CYBMUJFWSA-N 344.505 4.441 0 40 EIAB Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@H]1c1ccccn1 58343459 QDIKYPLLOOXBEH-AWEZNQCLSA-N 329.469 4.121 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1c(F)cccc1N1CCCC1 65614121 IYZXBCLGJAPZID-UHFFFAOYSA-N 337.398 4.088 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2cccc(O)c2)S1 71285224 YTKUAEDVIMLKKU-OAHLLOKOSA-N 329.425 4.296 0 40 EIAB CCOC(=O)c1c(CN2CCC[C@H]2c2ccc[nH]2)oc2ccccc12 71846822 OUDQVAVVTMRPAP-INIZCTEOSA-N 338.407 4.275 0 40 EIAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216650 AIUWHQIRQCVIIK-FQEVSTJZSA-N 349.478 4.439 0 40 EIAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1 72343425 KOASFUDFEFWKPR-AWEZNQCLSA-N 330.497 4.114 0 40 EIAB OCc1ccc(-c2cccc([C@H]3CCCN(C4CCCC4)C3)n2)cc1 72348536 JXQWRCSXFVGUIB-IBGZPJMESA-N 336.479 4.363 0 40 EIAB CCOC(=O)c1c(CN(C)[C@H]2CCC[C@@H]2SC)oc2ccccc12 76089749 HCEUSORQMVIKQK-YOEHRIQHSA-N 347.480 4.325 0 40 EIAB Cc1nc(C2CCN(C(=O)[C@H](C)c3ccc4ccccc4c3)CC2)no1 89718230 NPWBLWAABGBBLY-CQSZACIVSA-N 349.434 4.041 0 40 EIAB CC(=O)N(Cc1ccc(NCc2cccc3[nH]ccc23)cc1)C1CC1 95429192 KDIQNSVYAHJGCV-UHFFFAOYSA-N 333.435 4.291 0 40 EIAB Cc1c(CN[C@@H](c2ccc(Cl)cc2)c2ccsc2)cnn1C 95440006 UEECPTACWWYHTO-KRWDZBQOSA-N 331.872 4.323 0 40 EIAB CC[C@@H](C(=O)NCC[C@H](O)c1cc2ccccc2o1)c1ccccc1 96097218 OLXIKQTVKQHBEZ-MSOLQXFVSA-N 337.419 4.166 0 40 EIAB O=C(c1ccsc1)c1ccc(CNC(=O)[C@@H]2CC=CCC2)s1 96119839 VNMYIXXZXYOKLM-GFCCVEGCSA-N 331.462 4.013 0 40 EIAB Cc1ccccc1-c1nc(C)c(CNC(=O)/C=C/c2cccnc2)s1 96342970 VWIVBGPFTCCMAA-MDZDMXLPSA-N 349.459 4.152 0 40 EIAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2cscn2)o1 96433268 BQEKFOZILFVDTB-BBRMVZONSA-N 332.469 4.231 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)N2CC[C@@H](OCCC(C)C)C2)c1 96459620 DHYVUIXZOJHWCJ-MAUKXSAKSA-N 334.460 4.063 0 40 EIAB COc1ccccc1[C@@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 96479186 FFFKGHPLURJLJJ-HUUCEWRRSA-N 337.423 4.081 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 100637186 DWXMVMPBFRTSFY-PRULPYPASA-N 340.236 4.143 0 40 EIAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 109037717 YYDJJHKWQILILX-MXSMSXNCSA-N 342.483 4.114 0 40 EIAB CC[C@H](C(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccc(OC)cc1 192604484 KICJYNAUJFBNPY-FUHWJXTLSA-N 344.480 4.317 0 40 EIAB O=C(/C=C/c1cccs1)N1CCS[C@@H](c2ccccc2)CC1 211139554 PSYBIAYMDHEIDT-KBOKABMXSA-N 329.490 4.468 0 40 EIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 214357364 XNIUOYNEIJEPSM-MHWRWJLKSA-N 343.379 4.071 0 40 EIAB Cc1ccc(OCC(=O)NCCSCc2ccccc2Cl)cc1 222757995 ALNVJEASNRMRHA-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223502972 YRUCDRLFZDVESL-KRWDZBQOSA-N 325.452 4.430 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 225344174 JQWXSYQIOUPXJA-UHFFFAOYSA-N 345.398 4.487 0 40 EIAB Cc1cccc(CSCCCNC(=S)Nc2cccc(C)n2)c1 225605220 QYXSVRQMPCFVAQ-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB CO[C@](C)(C(=O)Nc1ccc(OC(C)C)c2ccccc12)C1CC1 225813356 GIOHBSAGHSWJIJ-FQEVSTJZSA-N 327.424 4.381 0 40 EIAB COCCC1(NC(=S)Nc2ccc(F)c(Cl)c2)CCCC1 225856917 XHQMHTUXGSORCT-UHFFFAOYSA-N 330.856 4.115 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 225874397 OEUONFQMQVENCY-UONOGXRCSA-N 347.842 4.302 0 40 EIAB Cc1csc2ncnc(NCc3csc(-c4ccco4)n3)c12 505713656 NZEUWNHGVSRHHG-UHFFFAOYSA-N 328.422 4.328 0 40 EIAB Cc1nc(/C=C/c2cn(C)nc2C(F)F)sc1Br 585138367 KHABQWQXRKQPGV-ONEGZZNKSA-N 334.189 4.056 0 40 EIAB S=c1nc2cc(Cl)ccc2c2n(-c3ccccc3)c(S)nn12 1889270410 OVZTWGLMCOFNRQ-UHFFFAOYSA-N 344.852 4.345 0 40 EIAB FC(F)(F)c1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1 80317 KBEHVMDMXUFSTF-UHFFFAOYSA-N 331.219 4.434 0 40 EIAB C[C@@H]1CN=C(N(CCc2ccccc2)C(=O)Nc2ccccc2)S1 86889 MLRIXECAIIFHKO-OAHLLOKOSA-N 339.464 4.255 0 40 EIAB CC(C)CCNC(=O)C1CCN(Cc2cccc3ccccc23)CC1 299267 CEOLXZMRBHCCLB-UHFFFAOYSA-N 338.495 4.214 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nc(C)c3c(n2)CCCC3)c1 479854 FMMTXJAAOLCFTM-UHFFFAOYSA-N 341.480 4.011 0 40 EIAB Cc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 527636 OBBNMGYBMQRSHJ-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 1518627 NBHPYSJJLKYJCK-UHFFFAOYSA-N 330.434 4.036 0 40 EIAB O=S(=O)(Nc1cccc2ccccc12)c1cccc2cccnc12 1578964 IFQPGRGUBFPSKH-UHFFFAOYSA-N 334.400 4.189 0 40 EIAB CCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 2694143 WGMZUYJZDSJNPG-UHFFFAOYSA-N 331.423 4.465 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 2764390 AQYBRIQSXHIPRC-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1OC 3608448 YUJIDSCRIZVHIT-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 3977936 IMONTRJLAWHYGT-NALHQMNBSA-N 340.463 4.063 0 40 EIAB biogenic,in-man CCOC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1 4162654 XDRRRZXRYHPLGA-UHFFFAOYSA-N 337.375 4.181 0 40 EIAB COC(=O)c1cc2c(ccn2C)n1Cc1c(Cl)cccc1Cl 5000626 VBMHMKOLCFRZLM-UHFFFAOYSA-N 337.206 4.122 0 40 EIAB O=C(O[C@H]1CCCCC1=O)c1cc2c(s1)-c1ccccc1CC2 5303689 CHNNSQCPEDHVKH-INIZCTEOSA-N 326.417 4.182 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5471426 JYDICCWBSNTGCC-UHFFFAOYSA-N 341.495 4.448 0 40 EIAB CSc1nnc(SCc2cc(Cl)cc3c2OCOC3)s1 5872300 RMEUESZKBRZXNH-UHFFFAOYSA-N 346.886 4.072 0 40 EIAB CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1 5908915 MVZCTJPTNLVOJC-MRXNPFEDSA-N 330.453 4.126 0 40 EIAB O=C(CC1CCCCC1)Nc1cccc(I)c1 6241142 VAUJFXCSSYHQHU-UHFFFAOYSA-N 343.208 4.200 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1OC(F)F 6329648 CXNSCAAJLLLKAU-UHFFFAOYSA-N 329.705 4.262 0 40 EIAB Cc1sc(NC(=O)c2n[nH]c3ccccc23)nc1-c1ccccc1 7138372 FFUWCSGEBSZINI-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB O=S(=O)(NCCC1=CCCCC1)c1c(Cl)cccc1Cl 7376278 FLRDUIVNSSHLJK-UHFFFAOYSA-N 334.268 4.162 0 40 EIAB COc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)no2)cc1 7604983 IERQRDDKXKRVPY-UHFFFAOYSA-N 340.404 4.029 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 8140450 KEYPRTYZRQCJRE-CJNGLKHVSA-N 332.444 4.342 0 40 EIAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCC[C@@H]3C)cs2)cc1 8876381 NBPSCNCEZRKNLS-SUMWQHHRSA-N 344.480 4.056 0 40 EIAB Fc1cccc(Nc2nc(Nc3ccccc3)c3nccnc3n2)c1 9075220 HIFRXQSCCLWTRE-UHFFFAOYSA-N 332.342 4.046 0 40 EIAB CCC(CC)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 9095376 DBPBWDNFSFPRMI-UHFFFAOYSA-N 338.451 4.334 0 40 EIAB C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nccnc3c1)C2 10129044 WEWURNNVXLJERZ-RDBSUJKOSA-N 341.480 4.050 0 40 EIAB CCCC(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 12087438 HOHUNSYVYUFODE-UHFFFAOYSA-N 342.487 4.051 0 40 EIAB CC(=O)c1c(F)cccc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 12582635 DURSXWVBYSANCR-CQSZACIVSA-N 337.398 4.289 0 40 EIAB C[C@H](NC(=O)NCCc1ccccc1)c1ccc(Br)cc1 12860892 WCTBRANSVLBFDP-ZDUSSCGKSA-N 347.256 4.052 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)N[C@H](C)CCc1ccccc1 12865818 AHGFBPQSDDOKKH-HZPDHXFCSA-N 326.440 4.077 0 40 EIAB CC(=O)O[C@@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 13123149 BQCNQBZBDPWOLJ-INIZCTEOSA-N 333.428 4.001 0 40 EIAB Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1 13495200 PBMVFBOHKAQXLX-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB COc1ccc(OC)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 13972678 OHJZBLHFOUEIMR-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CC(C)OCCCN(Cc1ccncc1)Cc1cc(F)cc(F)c1 13989558 LTEUHUMWKOMRCJ-UHFFFAOYSA-N 334.410 4.177 0 40 EIAB O=C(NCCCc1ccccc1)c1cc(C2CC2)nc2ccccc12 14022182 HEPBVWWLLFSGLE-UHFFFAOYSA-N 330.431 4.475 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 14185813 SRTFATXEAYWCEQ-UHFFFAOYSA-N 330.859 4.112 0 40 EIAB COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 15425177 WZKYUWDBDBJUFZ-UHFFFAOYSA-N 325.339 4.024 0 40 EIAB Cn1ccnc1-c1cnc(-c2ccncc2)nc1-c1ccc(Cl)cc1 19291789 PEFHJJGJDNNVMC-UHFFFAOYSA-N 347.809 4.260 0 40 EIAB Oc1ccc(CN2CCC(Cc3ccccc3)CC2)c2cccnc12 19878904 OSUYXBHXTKKQEJ-UHFFFAOYSA-N 332.447 4.395 0 40 EIAB O=C1Nc2ccccc2CC[C@H]1Sc1nc2ccccc2s1 20716060 SYMMIRSGEUZRPF-OAHLLOKOSA-N 326.446 4.342 0 40 EIAB COc1cc(Cl)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C 26843967 SFFJBHSLMVFHNW-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(F)cc1 30859971 WDPZOTMUNIWNSN-HXUWFJFHSA-N 337.394 4.453 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccccc4)cc3c2C1 32945383 ALCJEERYTFCUQH-AWEZNQCLSA-N 347.414 4.332 0 40 EIAB COc1cc(-c2nc3ccccn3c2Nc2ccccc2)ccc1O 35606578 JMORNSFOPYDJKZ-UHFFFAOYSA-N 331.375 4.459 0 40 EIAB Nc1c(C(=O)c2ccccc2)c2ccccc2n1C(=O)c1ccccc1 35682683 CRXFMWNTLWPKTL-UHFFFAOYSA-N 340.382 4.143 0 40 EIAB CCc1nc(NC(=O)c2cc(Br)ccc2F)sc1C 40119017 OQNVYHDTLSNGOC-UHFFFAOYSA-N 343.221 4.168 0 40 EIAB O=C(Cc1ccc(-c2nc3ccccc3o2)cc1)NC1CCCCC1 41127100 KBKIRMUUAFHFBF-UHFFFAOYSA-N 334.419 4.486 0 40 EIAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1nc(-c2ccccc2)c[nH]1 69489189 TYNODSOMTZZGCP-NSHDSACASA-N 343.789 4.360 0 40 EIAB CC(C)(C)CC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 69622239 QQHBTSCRTHXUOF-AWEZNQCLSA-N 335.398 4.114 0 40 EIAB Cc1noc(C)c1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 69896698 OXMQNANECFBJID-FQEVSTJZSA-N 347.418 4.034 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)Nc1c(Cl)cc(C)c2ncccc12 72275379 QRDSFIHTQHUMMF-UHFFFAOYSA-N 343.818 4.191 0 40 EIAB Cc1cc(NC(=O)CCCc2cn(C(C)C)c3ccccc23)nn1C 72405092 LNFHEEPDWIEIQQ-UHFFFAOYSA-N 338.455 4.226 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)Nc1ccc2c(c1)CCC2 75142874 XKFYXVVXCHORNY-UHFFFAOYSA-N 334.379 4.178 0 40 EIAB CCOc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)ccc1O 85384660 DWFUYKHJWAEHJS-UHFFFAOYSA-N 349.312 4.262 0 40 EIAB Cc1ccc(C(=O)NCCn2ccc3ccc(Cl)cc32)cc1C 94993100 CRIUXFSMDWWTID-UHFFFAOYSA-N 326.827 4.342 0 40 EIAB CCSCCSc1nnc(-c2ccco2)n1-c1ccccc1 95401143 QRFIBECHFYEUAN-UHFFFAOYSA-N 331.466 4.373 0 40 EIAB O=[S@@](Cc1ccc(F)cc1)Cc1csc(Br)c1 96404290 XLDKFKMCYULJTD-QGZVFWFLSA-N 333.247 4.099 0 40 EIAB Oc1nc(/C(Cl)=C\c2cccnc2)nc2sc3c(c12)CCC3 96792344 KSELCPMRVASIBN-YRNVUSSQSA-N 329.812 4.018 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)c1 102168693 XDTOZEPVXMWZFN-HHXXYDBFSA-N 346.467 4.464 0 40 EIAB COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2N)cc1 102420397 KMIYFEFCCLFQOQ-UHFFFAOYSA-N 346.434 4.287 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)c(C)c1 102988690 OZIXVBVGNNNRFO-XAMWDVODSA-N 333.431 4.095 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104811119 YUZFMXQYJUTJQR-RMRKRWHISA-N 333.859 4.244 0 40 EIAB COc1ccc([C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 113932638 NWRJNCSKSSXMAP-HNNXBMFYSA-N 329.465 4.363 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223933826 HFOJJFQQZYUWQJ-MOPGFXCFSA-N 341.451 4.429 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224154326 CYVDLPQGXMLBCB-UHFFFAOYSA-N 331.843 4.003 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)c1 224845047 XMYUPURQKHMURY-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2c1 225721797 DRIIRKFYIDIJSL-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB COc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl 226349717 CGDPMKSSYUVIRJ-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2cc(F)ccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257288620 PUYWUKQUQYJAJY-YBLNHRRYSA-N 337.410 4.126 0 40 EIAB S=C(Nc1ccc(Oc2ccccc2)nc1)NC1CCCCC1 408549499 UNXQPRLLZFIAGH-UHFFFAOYSA-N 327.453 4.493 0 40 EIAB CCCOc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 408706939 FLIZQCNKWSICAV-UHFFFAOYSA-N 325.364 4.483 0 40 EIAB CC(C)C[C@H](NC[C@H](O)C(F)(F)F)c1cccc(C(F)(F)F)c1 545894531 CVFYDQSHNBKZLA-STQMWFEESA-N 343.311 4.305 0 40 EIAB Cc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)nc(C2CCC2)n1 1559136693 AJFHPOQGATUMJE-XJKSGUPXSA-N 329.469 4.080 0 40 EIAB C[C@@H]1CC(NC(=O)NCCc2ccc(F)cc2Cl)C[C@@H](C)C1 1668593021 BKSAOZNMRVZEHA-RYUDHWBXSA-N 326.843 4.146 0 40 EIAB CCOc1ccc(CC(=O)NCc2cc(-c3ccco3)cs2)cc1 1775969007 RZTYKATVXOQBDE-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB COc1ccc(C(=O)NCc2cc(-c3ccco3)cs2)cc1F 1775969087 WWSCGILJAPJFIZ-UHFFFAOYSA-N 331.368 4.086 0 40 EIAB C[C@H](CCc1ccccc1)N1C[C@@H](COc2ccccc2)OC1=S 341037 ZKVUNPUUHDIXDI-APWZRJJASA-N 341.476 4.072 0 40 EIAB O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1cccs1 798308 DLBBXJQPKIEORI-UHFFFAOYSA-N 329.402 4.427 0 40 EIAB Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 2635865 SEDIPGJZORLINT-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB Cc1cccc2sc(NC(=O)c3ccc(OC(F)F)cc3)nc12 3524356 GZAQPEPOZBTUME-UHFFFAOYSA-N 334.347 4.458 0 40 EIAB COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC 4031935 AVLPGCJTONUUAG-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 4977752 NDDVKHTZDIXGBF-KRWDZBQOSA-N 343.224 4.147 0 40 EIAB COc1ccc(NC(=S)Nc2ccccc2Br)cc1 5798446 WOJLNOXYBRFCHH-UHFFFAOYSA-N 337.242 4.267 0 40 EIAB CCOCc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12 6152192 AKQHDEOZAKNYBE-UHFFFAOYSA-N 325.364 4.230 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)OCc1ncc(-c2ccccc2)o1 6384124 SCOVZZCJONDMQD-UHFFFAOYSA-N 332.359 4.109 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 7361059 AAXMAUNTPXCWDM-UHFFFAOYSA-N 349.452 4.018 0 40 EIAB O=C(CNc1ccc(F)cc1Cl)Nc1ccccc1OC(F)F 7972568 URBQDJNTCPUKAC-UHFFFAOYSA-N 344.720 4.131 0 40 EIAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C=C(c1ccc(F)cc1)N2 8570198 KIIDYTCXPKLERV-QGZVFWFLSA-N 342.324 4.060 0 40 EIAB COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 9063955 YUBXQQIMMYTOIG-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB CCCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 9064329 HXHQDXUXHSDHHZ-CQSZACIVSA-N 333.501 4.069 0 40 EIAB CCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 9065571 DYKPMOJOSTZWHK-UHFFFAOYSA-N 331.228 4.441 0 40 EIAB CCCCN(C)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 9450091 GADUDNXVUTZIPL-UHFFFAOYSA-N 327.453 4.268 0 40 EIAB O=C(CS/C(=C\c1ccccc1)C(=O)O)Nc1ccc(Cl)cc1 10386573 ZZBHTBXYGCYFJQ-GDNBJRDFSA-N 347.823 4.137 0 40 EIAB Cc1ccc(-c2csc3ncn(CCc4ccccn4)c(=O)c23)cc1 11329064 LJXWHYZXXHWEIK-UHFFFAOYSA-N 347.443 4.071 0 40 EIAB O=C(NC1(c2ccccc2)CCCC1)c1cccc(N2CCCC2=O)c1 12197415 OENUPVVRUYJKEE-UHFFFAOYSA-N 348.446 4.013 0 40 EIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 12322312 DAGDDDNYWAWHOE-UHFFFAOYSA-N 335.791 4.287 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(C)c(C)c1)O[C@@H](C)C2 12779983 NAGPVZRPDOJZHF-AWEZNQCLSA-N 325.408 4.278 0 40 EIAB COc1ccc(CCNC(=O)c2ccccc2SC(C)C)cc1 13847239 UMDLWFABJSEPCU-UHFFFAOYSA-N 329.465 4.168 0 40 EIAB Cc1ccc(N(C(=O)c2cccs2)C(=O)c2cccs2)nc1 13944192 XGYJYBHODUAMTC-UHFFFAOYSA-N 328.418 4.000 0 40 EIAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc21 17247878 XSARDYKBPNZFKD-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB CN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CCCCC1 17357001 XGULQPDBHUEUDS-UHFFFAOYSA-N 346.471 4.116 0 40 EIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(F)cc1 20138185 AFFJEPRTNWHCAA-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 21303482 BQUNMKLNLHKNNA-NSHDSACASA-N 343.789 4.360 0 40 EIAB CCc1ccc(C(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 24842487 UNKXWYVSLHUNQW-UHFFFAOYSA-N 336.391 4.300 0 40 EIAB O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Br)o1 25097675 CPPJFZGTBNAGBE-UHFFFAOYSA-N 348.240 4.498 0 40 EIAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25145275 OPDHFMAHHMLLGY-LSDHHAIUSA-N 338.373 4.269 0 40 EIAB O=C(C[C@H]1C=CCC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 25910462 JKPZOIDHCSJDSS-LSDHHAIUSA-N 342.464 4.165 0 40 EIAB Cc1nn(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(C)c1Cl 28246195 NVHCQGCAXNETSS-UHFFFAOYSA-N 339.826 4.324 0 40 EIAB O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1Cl 28247118 ODFSVTRFVNASRB-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB COc1ccc(C(C)=O)cc1Cn1c(C(F)(F)F)nc2ccccc21 28775407 RSJIEPMFDYIXET-UHFFFAOYSA-N 348.324 4.315 0 40 EIAB COc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C(C)C)cc1 32744675 PKRUTURDMKONIP-OXQOHEQNSA-N 341.451 4.284 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1ccc(-c2ccccc2)cc1 35986618 HCVTZZOECXSSPG-AGHHOFFYSA-N 339.479 4.262 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 38833851 JZGPBGLDBWNBBQ-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB COc1ccc(CCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 44195149 PIUSNGTUWXIQCW-UHFFFAOYSA-N 344.480 4.012 0 40 EIAB O=C(NC1CCCCC1)N(Cc1ccsc1)Cc1ccccn1 44446186 OOGMKRFDFVAVIS-UHFFFAOYSA-N 329.469 4.188 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)[nH]n2)cc1 44858076 LKSYLBJVKOOABR-IBGZPJMESA-N 339.439 4.053 0 40 EIAB COc1ccc(-c2nc(CN(Cc3ccccn3)C(C)C)co2)cc1 48253184 GKBXFDNSJJAYRA-UHFFFAOYSA-N 337.423 4.156 0 40 EIAB O=C(CSc1ccc(F)cc1)NCCSCc1ccsc1 48356161 NTLCELMQKXXMTM-UHFFFAOYSA-N 341.498 4.029 0 40 EIAB Cc1nc(-c2ccccc2)sc1CNC(=O)N(C)Cc1ccco1 67101538 HBRRVDUSFBJXEY-UHFFFAOYSA-N 341.436 4.053 0 40 EIAB C[C@H]1CN(C(=O)Nc2cccc3cccnc23)C[C@H](c2ccccc2)O1 67559209 AFFJXOHYKJOMIE-HNAYVOBHSA-N 347.418 4.229 0 40 EIAB Cc1noc(C)c1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69348738 OOZUPWGHWSLZIC-QGZVFWFLSA-N 338.411 4.069 0 40 EIAB Cc1csc(-c2cccc(NC(=O)N[C@H](C)c3ccncc3)c2)n1 72083679 XBSWUDDDRFEVQQ-CYBMUJFWSA-N 338.436 4.396 0 40 EIAB CCOc1ccc2nc3c(cc2c1)CN(Cc1cccs1)C(=O)O3 72396350 PCJUIDLPXPHLPT-UHFFFAOYSA-N 340.404 4.210 0 40 EIAB C[C@H](Sc1nncn1Cc1ccco1)c1ncc(C(C)(C)C)o1 96447683 NBICMDXEYYVODJ-NSHDSACASA-N 332.429 4.058 0 40 EIAB C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 97038611 HOHXJQDGPXEGHS-CYBMUJFWSA-N 341.459 4.095 0 40 EIAB Cc1cc(F)ccc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 97084919 FDVCIWKTWXFACH-NRFANRHFSA-N 325.836 4.278 0 40 EIAB C/C=C/[C@H]1OC[C@@]2(COC(=O)NCCCC)[C@@H](C)C=C(C)[C@H]1[C@H]2C 100741248 KQNWOQWLNRLDSK-QSVNLITGSA-N 335.488 4.322 0 40 EIAB biogenic CCNCc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F 195536811 AXHRPOBACJAGEC-UHFFFAOYSA-N 340.320 4.206 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)CCSCc2ccccc2)cc1 218998208 OWACZDZHLGFVSW-KRWDZBQOSA-N 343.492 4.202 0 40 EIAB CCOc1ccccc1NC(=S)NCCCc1cccc(OC)c1 225552762 JUJVERQQQPCBJZ-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)c1c(F)cccc1F 225646773 JMSIIQPNXNQHNK-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3)oc2c1 226283943 INRVQGBNCOYFSC-UHFFFAOYSA-N 334.297 4.410 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 408701254 VAQOEUZMXNCGRO-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2ccccc21 408713108 KLHVLAUIYIVTFE-UHFFFAOYSA-N 347.201 4.098 0 40 EIAB CCN(C(=O)CC1CCC(C(=O)O)CC1)[C@H](C)c1ccc(F)cc1 649242366 QFPUVHKGKBTOLH-VQCLRJIVSA-N 335.419 4.016 0 40 EIAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccs1 79533 TXNJDOUXNHRQAS-UHFFFAOYSA-N 325.418 4.377 0 40 EIAB CCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OCC 147573 GAPQNNBCRHLGOZ-NTUHNPAUSA-N 342.391 4.111 0 40 EIAB COc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 181071 ROBNIFLSDLQFDX-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB COc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 358810 CRFLTNVDWGSQBG-UHFFFAOYSA-N 342.464 4.120 0 40 EIAB CCCc1nn(C)c(C(=O)Nc2cccc(Cl)c2C)c1Cl 385497 NCDBYHJTNLDNNI-UHFFFAOYSA-N 326.227 4.240 0 40 EIAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCCO3)c2c1 547614 DYAWXBSPKHQLMT-KRWDZBQOSA-N 346.430 4.119 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc2ccccc12 1922912 AFEJTLFLBHVFBH-CQSZACIVSA-N 349.386 4.032 0 40 EIAB COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@H](C)C2 1929355 CGEMMMSXDPUUCC-NSHDSACASA-N 335.469 4.178 0 40 EIAB CCCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 2721454 LVDMNKPGFHOINJ-UHFFFAOYSA-N 335.451 4.199 0 40 EIAB C[C@@H]1CCc2onc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)c2C1 2803807 PVPDQUMINVSTKV-SECBINFHSA-N 347.321 4.118 0 40 EIAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C1CCCCC1 4077264 SPUUIFLWIMRICU-UHFFFAOYSA-N 327.453 4.138 0 40 EIAB Cc1nc(NCCCn2ccnc2)c2cc(-c3ccccc3)sc2n1 5268142 ZQHNYTIQHSPGSY-UHFFFAOYSA-N 349.463 4.365 0 40 EIAB O[C@@]1(c2ccccc2)CC[C@@H](c2ccccc2)[C@@]1(O)c1ccccc1 6864462 XQYDCDIWHVZGRN-ZRBLBEILSA-N 330.427 4.340 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1F 7966009 NYFSZOGFMWYKHW-NSHDSACASA-N 336.204 4.388 0 40 EIAB CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 8227216 LVXWUKWNSUIPMW-UHFFFAOYSA-N 338.220 4.277 0 40 EIAB CCCCN(CC)Cc1c(C)nc2ccc(C(=O)OCC)cc2c1O 8714125 WPAVHFBKCXRFEJ-UHFFFAOYSA-N 344.455 4.048 0 40 EIAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccccc2O)CC3=O)cc1 10156816 LRIDCJXCJDXQAB-HNNXBMFYSA-N 332.403 4.107 0 40 EIAB COC(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 10338978 VUVWPIHHUBXTHN-UHFFFAOYSA-N 325.408 4.168 0 40 EIAB C[C@H](CCN1CCC(c2n[nH]c3ncccc23)CC1)c1ccccc1 12143429 LNRWANQYXLGVOD-MRXNPFEDSA-N 334.467 4.331 0 40 EIAB COc1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(OC)cc1Cl 12849114 KHIBQNAHBDOQFK-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)oc12 12879964 NLVXXQBUBNGTBO-UHFFFAOYSA-N 348.358 4.217 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 13011162 BNBSYIZJIAMVMI-ZIAGYGMSSA-N 346.858 4.432 0 40 EIAB COc1ccc(-c2nnc3sc(/C=C/c4cccs4)nn23)cc1 13692063 UJIPHYBMJKRMAV-CMDGGOBGSA-N 340.433 4.093 0 40 EIAB Cc1ccc(F)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1 14138914 JBJJDMVQZVVRIG-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cc(F)cc(F)c1 16129600 GUOLBIMYERTGSS-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=O)CC(C)(C)C2 16806046 CCVJAAHOYJVFGH-UHFFFAOYSA-N 345.826 4.327 0 40 EIAB C[C@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 17242183 ACIHXFGAEPNSCL-ZDUSSCGKSA-N 333.370 4.128 0 40 EIAB Fc1ccccc1CN1CCC(c2nnc(-c3cccs3)o2)CC1 19348923 KWAGTIIBRALLBC-UHFFFAOYSA-N 343.427 4.317 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1ccco1 20112041 XRWCPOBBSRSYRR-HNNXBMFYSA-N 347.480 4.220 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cc1 21704338 DHXABLXYQGPMDQ-QGZVFWFLSA-N 333.790 4.465 0 40 EIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1 22417936 CMADRPVGJGEVOE-UHFFFAOYSA-N 343.732 4.211 0 40 EIAB COc1ccc(C)cc1CCNCc1c(C)nn(-c2ccccc2)c1C 23466528 DZHWHWQONCBMIB-UHFFFAOYSA-N 349.478 4.138 0 40 EIAB CC(C)NC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 24546587 MXOYXXYBCDNTMP-UHFFFAOYSA-N 349.793 4.261 0 40 EIAB O=C(Cc1coc(-c2ccccc2)n1)Nc1cnc2ccccc2c1 25157302 YZQBPVKWOAGFEO-UHFFFAOYSA-N 329.359 4.071 0 40 EIAB Cc1ccc2c(CC(=O)NCCSCc3ccccc3)coc2c1 25690478 PEPVGTZQUUAWNN-UHFFFAOYSA-N 339.460 4.333 0 40 EIAB CC(C)CNC(=O)c1ccccc1SCc1cn2ccccc2n1 28273290 HYMWDPCHYYYEJF-UHFFFAOYSA-N 339.464 4.012 0 40 EIAB CN(C(=O)CCSc1nc2ccccc2s1)c1ccccc1 29629594 YWPGFHYJPRNCOI-UHFFFAOYSA-N 328.462 4.442 0 40 EIAB CC(=O)Nc1ccc(SCc2noc(-c3cccc(C)c3)n2)cc1 32325725 GZOCRLDNXUZTOR-UHFFFAOYSA-N 339.420 4.296 0 40 EIAB C[C@H]1CCN(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2S1 36619856 UVXFHAASZLWFTH-HNNXBMFYSA-N 349.459 4.403 0 40 EIAB CCOc1c(Br)cc(CNc2ccccc2)cc1OC 36815660 HMANNYKHBLFRFF-UHFFFAOYSA-N 336.229 4.469 0 40 EIAB O=C(CC1CCCC1)N1CCC(c2nnc(-c3ccco3)s2)CC1 38666607 YASSKDSPHUZNAL-UHFFFAOYSA-N 345.468 4.084 0 40 EIAB O=C(CCOc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 40128442 RPMQXXNCRRIFEY-UHFFFAOYSA-N 329.705 4.165 0 40 EIAB Cc1noc([C@H](C)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 44585377 MTLXDKGOZYFZRO-KBXCAEBGSA-N 346.434 4.342 0 40 EIAB O=C(NCc1ccc(Br)cc1)c1ccc(F)cc1Cl 48817160 CVCKCKSMYIGKNR-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n[nH]2)cc1 51315490 LFPRBYWRSLPNLE-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB CN(CCCc1ccccc1)Cc1nc(O)c2oc3ccccc3c2n1 52802635 NCABNWOKCLBSBK-UHFFFAOYSA-N 347.418 4.146 0 40 EIAB CCCn1cc(NC(=O)c2sc3ccccc3c2C)ccc1=O 57143732 NTRSYOIFLJNSTB-UHFFFAOYSA-N 326.421 4.034 0 40 EIAB Cc1cc(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c2ccccc2n1 58356833 PJOHIHRPUIPCEB-IIBYNOLFSA-N 346.430 4.145 0 40 EIAB Cc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1O 58406606 MIPRFPSLBJTDHE-UHFFFAOYSA-N 347.480 4.352 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]1c1ccc(F)cc1 58427562 CAAFPJWAWHRRBU-IBGZPJMESA-N 347.393 4.260 0 40 EIAB CCOc1ccc(-c2c(C(C)=O)c(=O)[nH]c3ccc(Cl)cc23)cc1 61957973 VYWMRUBDVCAOFQ-UHFFFAOYSA-N 341.794 4.450 0 40 EIAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3)o2)cc1 63887759 HHWKFTXFEGAWNM-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB CC(C)c1ncc(Cl)c(C(=O)N(C)c2nc3ccccc3s2)n1 69530468 FPMQLOQADSJXAA-UHFFFAOYSA-N 346.843 4.140 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(COC(C)C)c1 73186514 WYGASEJCFMACIX-LBPRGKRZSA-N 331.416 4.099 0 40 EIAB O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCc2ccccc21 75902963 CZVOJQFQUZWAEF-UHFFFAOYSA-N 330.796 4.259 0 40 EIAB CC(C)Cc1noc(CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 89856562 UBIFILIJOYCWCF-UHFFFAOYSA-N 336.439 4.039 0 40 EIAB COc1cccc([C@H](CNC(=O)c2cc3ccccc3s2)OC)c1 96390133 QMVXFIFZHQYVDX-INIZCTEOSA-N 341.432 4.027 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1(C)CCOCC1 96403241 PMPYQIWMQVCNIJ-CQSZACIVSA-N 344.480 4.112 0 40 EIAB CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccnc2Cl)s1 96441325 DAWUZNFHWKMDPG-JTQLQIEISA-N 338.864 4.287 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CCN3CCC[C@@H]3C2)cc1 97232002 MJNSRTOJKIISKU-DLBZAZTESA-N 331.460 4.072 0 40 EIAB Cc1ccccc1C[C@H]1C(=O)N(C)c2ccc(Br)cc21 101014366 PPEQVKDLVZQQBZ-OAHLLOKOSA-N 330.225 4.060 0 40 EIAB CC1(C)O[C@]2(C)CC[C@@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc2ccccc12 101152086 DFLHMSDIBOUJBH-YIBUEWOESA-N 336.435 4.402 0 40 EIAB Cc1csc(C2=C(O)CN([C@H](C)CCc3ccccc3)C2=N)n1 102243248 JPFDXMBKWWRQMZ-CYBMUJFWSA-N 327.453 4.035 0 40 EIAB C[C@@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102791663 HZPRINBWEYSSMZ-GZOSKZMVSA-N 331.431 4.120 0 40 EIAB O=C(NCC(F)(F)F)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 102922757 HMAVPTYQORUOMP-JDPPGYRCSA-N 337.385 4.203 0 40 EIAB CCOC(=O)/C(=C/c1ccc(C)cc1)P(=O)(OCC)OCC 104077676 JGCLOKQRUSPYRU-QINSGFPZSA-N 326.329 4.165 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(C)ccc1C 113960273 FPGXPAHXKAVFBV-QAPCUYQASA-N 329.415 4.477 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 216328206 VPCIEOPFGBELFU-LBPRGKRZSA-N 333.815 4.317 0 40 EIAB Cc1ccc(CNC(=S)Nc2ncc(Cl)c(C)c2Cl)o1 223905022 OYNULMBUDBTTRO-UHFFFAOYSA-N 330.240 4.085 0 40 EIAB CCc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225359240 ONGAWBVRACTOOS-UHFFFAOYSA-N 325.408 4.299 0 40 EIAB COc1cc(C)c(C(=O)Nc2ccc3c(c2)OCCO3)cc1C(C)C 225658957 JFSXFMJQSLSBDM-UHFFFAOYSA-N 341.407 4.151 0 40 EIAB Cc1cc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Br 260658775 IVDFAQJGBZGLFB-COPLHBTASA-N 339.302 4.233 0 40 EIAB COc1ccc2cc(C(=O)NCCCc3cc4ccccc4o3)[nH]c2c1 390832443 ZMKQKXMVVXDTQV-UHFFFAOYSA-N 348.402 4.285 0 40 EIAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CCc1ccccc1 409004426 BBNWEZHVWWYZAU-VBKFSLOCSA-N 327.380 4.105 0 40 EIAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CCCc1ccccc1 409142311 YATLEFRBSQHRGM-GHRIWEEISA-N 341.407 4.495 0 40 EIAB c1ccc2cc(OCc3nnc([C@H]4CC45CCOCC5)o3)ccc2c1 521393817 PZZWRCDOQZVBNN-QGZVFWFLSA-N 336.391 4.086 0 40 EIAB Clc1ccc(-c2ccc(CN[C@H]3CCn4ccnc4C3)cc2)cc1 582621095 DAEWMRGGKNTYQU-IBGZPJMESA-N 337.854 4.308 0 40 EIAB CCCc1nc(-c2ccc(OC)cc2OC(C)C)ccc1C(=O)O 585265975 WJVPCFBRZSTNRI-UHFFFAOYSA-N 329.396 4.195 0 40 EIAB CN(C(=O)c1cccc2cc(O)ncc12)[C@H]1CCCc2ccccc21 1523290431 FSZQTFZHRNIGSS-IBGZPJMESA-N 332.403 4.090 0 40 EIAB CCOc1cccc(CNCc2cccnc2)c1OCc1ccccc1 359768 DUZSQFRRHSRGNQ-UHFFFAOYSA-N 348.446 4.349 0 40 EIAB Cc1sc(NC(=O)c2ccccc2F)c(CN2CCCC2)c1C 387209 AQKKJKRCJURWMJ-UHFFFAOYSA-N 332.444 4.352 0 40 EIAB Cc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c(C)c1 573712 DMHNNOSYXDDKFW-UHFFFAOYSA-N 346.430 4.490 0 40 EIAB CCn1cc(CN(C)C(=O)c2sc3ccccc3c2Cl)c(C)n1 1002522 CGWSAMGGUZMJAP-UHFFFAOYSA-N 347.871 4.352 0 40 EIAB CCc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1369639 AOZBCJWZWSBHKN-ROUUACIJSA-N 343.540 4.083 0 40 EIAB O=C(c1cccc(I)c1)c1ccccc1Cl 2392538 HXKNAKJVJIRYRY-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB CCn1c2ccccc2c2nnc(SCCc3ccccc3)nc21 2446819 ZHNZCJRWGOYASQ-UHFFFAOYSA-N 334.448 4.334 0 40 EIAB COc1ccc(C)c2sc(NC(=O)c3cc(C)ccc3C)nc12 2713994 NCFLGCFXVAJRAZ-UHFFFAOYSA-N 326.421 4.482 0 40 EIAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccccc1 4108875 PZPGXXJHSVOAAO-UHFFFAOYSA-N 346.308 4.025 0 40 EIAB CCCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 4834940 IIZHWVXMYFGJEL-GHRIWEEISA-N 338.432 4.141 0 40 EIAB CCCCCNc1cc(CCC)nc2c3c(C)cc(C)nc3nn12 5347273 PJGBLOWFCJZLGN-UHFFFAOYSA-N 325.460 4.449 0 40 EIAB CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 5528249 LDIFWCUQQYZOLG-WTRQKZJCSA-N 346.511 4.020 0 40 EIAB C[C@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 5626864 QAIAEZKCSTVLAE-OAHLLOKOSA-N 336.460 4.247 0 40 EIAB COc1ccc(-n2cnnc2SCc2ccccc2Cl)cc1 6622258 IBTYODJNEYISPT-UHFFFAOYSA-N 331.828 4.222 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 7361099 JZRKBZWSKIKRRU-UHFFFAOYSA-N 333.453 4.182 0 40 EIAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1CCc1ccccc1 7884662 GGLAQBKGIDWSBK-OAQYLSRUSA-N 344.414 4.201 0 40 EIAB C[C@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccc(F)cc1 8130114 URTDGGHPYHYPGP-JTQLQIEISA-N 334.807 4.308 0 40 EIAB CC1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 8312720 HGMXXNKEKYBTSA-GOSISDBHSA-N 336.479 4.013 0 40 EIAB COc1cc(C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC 9478652 RIPVXKDAXXKVHP-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB CC(C)c1ccc(CCC(=O)NCCSCc2ccco2)cc1 10328351 JCPGWSCPQMPMSB-UHFFFAOYSA-N 331.481 4.385 0 40 EIAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)c2cnn(C(C)C)c2n1 11544932 SZKBZASAQOHJMV-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB COc1ccc2cc(CNc3cccc(Cl)c3C)c(=O)[nH]c2c1 12493322 MNGQOQCZQWNTHI-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB Cn1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c2ccccc21 12561866 XGTUNWWEKNOHMX-MRXNPFEDSA-N 340.423 4.284 0 40 EIAB CCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 12787894 OLNAKRSUEXENTA-UHFFFAOYSA-N 328.462 4.338 0 40 EIAB COc1ccc(-c2nc(NC(=O)C[C@@H]3C=CCC3)sc2C)cc1 12900806 WUMSVHQTXOROSD-CYBMUJFWSA-N 328.437 4.422 0 40 EIAB Cc1nc2cc(NC(=O)COc3ccc4ccccc4c3)ccc2o1 13005861 CXRYMDNIAACTPE-UHFFFAOYSA-N 332.359 4.307 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 14180148 DJVKTDDORGVGFE-INIZCTEOSA-N 337.250 4.026 0 40 EIAB Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccc(F)cc12 15841352 IHJUPHZTNIHVAE-UHFFFAOYSA-N 327.340 4.137 0 40 EIAB CCc1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1 16806220 OTZSCKYXLHHJRY-UHFFFAOYSA-N 347.509 4.039 0 40 EIAB C[C@@H]1CCCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)C1 20491756 OMJGSPHZQPNBDC-LLVKDONJSA-N 332.296 4.485 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1C 32863047 VJQZPTABELPTFB-HZPDHXFCSA-N 326.440 4.433 0 40 EIAB CC(C)CNc1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)s1 37165057 VOOKJNXRNKZIAS-VIFPVBQESA-N 341.506 4.140 0 40 EIAB O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2sccc2C1 40086844 JVKHIKZDARIKGQ-UHFFFAOYSA-N 344.823 4.255 0 40 EIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1N1CCCC1 40103773 USUSOVUGZGTZAO-UHFFFAOYSA-N 341.430 4.480 0 40 EIAB CCc1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)s1 40120488 OXKHMJZRSSPTEA-UHFFFAOYSA-N 326.368 4.234 0 40 EIAB CC(C)Cc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 44281734 SQHMPRMIOSGFRK-NXEZZACHSA-N 335.395 4.044 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1CN(C)C 52666172 OWWIHUVBDMXECU-OAHLLOKOSA-N 328.481 4.009 0 40 EIAB CONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@H](C)C2 53720378 JAVVRQBSVAHONH-BSHRGCEOSA-N 348.402 4.242 0 40 EIAB COc1ccccc1NC(=O)N(C)Cc1ccc(SC)c(OC)c1 58523035 APMGJSRBWVXBDE-UHFFFAOYSA-N 346.452 4.090 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1C 64823689 UPONKCKJMNBBRS-UYAOXDASSA-N 348.446 4.093 0 40 EIAB Cc1ccccc1NC1CCN(C(=O)c2c(C)oc(C)c2C)CC1 65475817 SOGRNEXFYJTUFV-UHFFFAOYSA-N 326.440 4.230 0 40 EIAB COc1ccc(Cl)cc1-c1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C2 67712745 HUTYKWYNRITVCC-GXTWGEPZSA-N 342.826 4.035 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1csc(C)n1 72271601 MCKSDBNGIKTBJZ-IINYFYTJSA-N 335.498 4.293 0 40 EIAB O=C(NCC1CCOCC1)c1cc2cc(C(F)(F)F)ccc2s1 72405597 RTYDGZWIWDFSEG-UHFFFAOYSA-N 343.370 4.077 0 40 EIAB CCCC1(C(=O)N2CCC(CN3CCc4ccccc43)CC2)CCC1 79104537 FBZOAYNZKNETPT-UHFFFAOYSA-N 340.511 4.258 0 40 EIAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1ccc(Cl)cc1 85397458 VWPWIYUEUWIYME-UHFFFAOYSA-N 332.783 4.298 0 40 EIAB O=C(O)c1ccccc1CCC(=O)N1CCCCC[C@H]1c1ccco1 97039169 FYWLKDIMTAVZET-KRWDZBQOSA-N 341.407 4.054 0 40 EIAB O=C(c1ccc(Br)cc1)[C@@H]1N=NC[C@@H]1c1ccccc1 100183658 BKJQXHLZKYAJHO-HUUCEWRRSA-N 329.197 4.250 0 40 EIAB COc1ccc(CC(=O)NCCCc2ccc(C(C)C)cc2)cc1C 222657330 WCTNZDAICMULOZ-UHFFFAOYSA-N 339.479 4.419 0 40 EIAB CCOc1ccc(CNC(=O)c2cc(C)ccc2C)cc1OCC 223614135 GTNWTTVUFLVHRU-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB O=C(NCCc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1 224270428 OZPFWZQVBNNQNX-UHFFFAOYSA-N 349.405 4.377 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)c1 224288260 LBVSFMBRUKPNTG-RTBURBONSA-N 349.459 4.469 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1 225407168 LWTXTKPMNNSYNU-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CC(C)NC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 225427791 RMICYWFCWZPFSS-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB C[C@@H]1CCCN(C(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)C1 227164058 LPKGROORCVXITR-OAHLLOKOSA-N 345.874 4.242 0 40 EIAB CCOc1ccc(CC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 240068131 SJESTZVCBJZIOR-HNNXBMFYSA-N 337.419 4.121 0 40 EIAB C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)CCC(F)(F)F 252481212 CIMLFMCIULDKCD-ZEDNOMKYSA-N 334.281 4.347 0 40 EIAB Cc1nnc([C@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 252508901 XXCIGZQKWTYMHK-QWRGUYRKSA-N 335.448 4.186 0 40 EIAB Cc1nc(-c2ccccc2C(=O)O)cc([C@@H]2CCCCN2C(C)C)n1 257332492 XXNKJZQZECMLMX-IBGZPJMESA-N 339.439 4.086 0 40 EIAB COC(=O)c1ccc(CN2c3ccc(F)cc3[C@H](C)CC2(C)C)o1 260619422 LLQWUBPBYZSMCV-GFCCVEGCSA-N 331.387 4.498 0 40 EIAB COc1ccc2c(c1)Cc1sc(Nc3ccc(C(=O)O)cc3)nc1-2 408890635 WVDSZDFUKJSNIY-UHFFFAOYSA-N 338.388 4.165 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1 364186 VUDANLURHCVBNW-UHFFFAOYSA-N 333.343 4.460 0 40 EIAB CC(C)C(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 372438 OIIBFJAJAMBYAW-LLVKDONJSA-N 344.069 4.220 0 40 EIAB Cc1ccccc1CN(c1ccccc1)S(=O)(=O)c1ccccc1 571581 SQBIBWREYCWDPJ-UHFFFAOYSA-N 337.444 4.391 0 40 EIAB O=C(CSc1nc2cc(Cl)ccc2s1)NC1CCCC1 804789 FNGIXOADAMIJAG-UHFFFAOYSA-N 326.874 4.101 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)NCC2 2491924 IKUQDTRLGIRQET-NRFANRHFSA-N 325.452 4.282 0 40 EIAB biogenic CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccccc1 2625863 YFTRPIAFYIZOKK-UHFFFAOYSA-N 343.427 4.405 0 40 EIAB Cc1nc(NC[C@@H](O)c2ccccc2)c2c3c(sc2n1)CCCC3 3282928 PKRGXEINZCWTHP-OAHLLOKOSA-N 339.464 4.024 0 40 EIAB CCOc1ccc2nc(NC(=O)OCc3ccccc3)sc2c1 3305383 FZWIQNSBQYJHMY-UHFFFAOYSA-N 328.393 4.444 0 40 EIAB CC(=O)CCc1ccc(OC(=O)COc2cccc3ccccc23)cc1 3331889 ROCRDPULJDZDNW-UHFFFAOYSA-N 348.398 4.346 0 40 EIAB CCCN(CCC)CCCOC(=O)c1ccccc1Br 4438487 NTIAUXFNZFCUGM-UHFFFAOYSA-N 342.277 4.118 0 40 EIAB O=C(CSc1ncnc2ccccc12)c1ccc2c(c1)CCCC2 4520550 RAHATFURHWFHDB-UHFFFAOYSA-N 334.444 4.484 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(C)cc1 4910168 YYCRUPCYBNSOSQ-GOSISDBHSA-N 337.448 4.402 0 40 EIAB Cc1nc(SCC(=O)NCc2ccccc2)n(C2CCCC2)c1C 5089860 VNFIKRNUSTUPMS-UHFFFAOYSA-N 343.496 4.024 0 40 EIAB N#C/N=c1\snc(-c2ccccc2Cl)n1-c1ccccc1Cl 5338275 UZGIDWNFMUAFHR-CYVLTUHYSA-N 347.230 4.289 0 40 EIAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)ccc2OC)cc1 5347974 ONUCFFYNNHTXJC-AWEZNQCLSA-N 343.423 4.235 0 40 EIAB NC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 5734458 DOVIBCPHDNLZGU-NUAJHHBDSA-N 331.419 4.362 0 40 EIAB CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccccc2)cc1Cl 6348868 GHNHURIXYVPCMT-UHFFFAOYSA-N 347.798 4.054 0 40 EIAB CCOC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 6910575 IMHBGOCLYWJQTC-UHFFFAOYSA-N 337.470 4.060 0 40 EIAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1F 7612406 PIJNLSWHSAJFBS-UHFFFAOYSA-N 330.746 4.045 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 7738330 CBLTUEPXQQAWGS-UHFFFAOYSA-N 346.390 4.016 0 40 EIAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 7779741 LJAUFZLFWGFDRO-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB C[C@H]1CCc2c(sc3ncnc(Nc4cccc(CO)c4)c23)C1 7981425 VXCGIKZTNKUAIO-NSHDSACASA-N 325.437 4.052 0 40 EIAB CCn1c(SC[C@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 7990402 BNTVGRMWOWELJB-CQSZACIVSA-N 337.876 4.280 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(Cl)c1 8007525 PQKKIIVYGIKTIB-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COc1cccc(C(=O)N[C@@H](C)c2cccc3ccccc23)c1OC 8188476 RGJDYNIVJIQUBQ-AWEZNQCLSA-N 335.403 4.348 0 40 EIAB CCN(CC)CCC[C@H](C)NCCCNc1cccc2cccnc12 8581450 FXVJBPPGUAHBBY-SFHVURJKSA-N 342.531 4.137 0 40 EIAB Cc1cc(C)c2nc(C)c(CN3CCc4ccccc4C3)c(O)c2c1 8717570 ZREGDZOGLRGNPO-UHFFFAOYSA-N 332.447 4.424 0 40 EIAB C[C@@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12736486 WNNAXJRUAKSABZ-VGOFRKELSA-N 348.490 4.222 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 12755594 ABAFGWFXJDIPQU-GFCCVEGCSA-N 335.407 4.208 0 40 EIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccccc1 12870937 JSQWSMAXYPOLNO-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)n1c(=O)cnc2ccccc21 12979485 PHJQKBJFWFHGCV-CQSZACIVSA-N 334.419 4.138 0 40 EIAB COC(=O)c1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 12993440 JRWOJWRMTNRIGR-CYBMUJFWSA-N 341.432 4.004 0 40 EIAB COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 13484751 GMXMKSFJQLFOSO-MWRFHTASSA-N 344.407 4.200 0 40 EIAB endogenous,in-man CCCCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 14257855 CMHRLXCJSDUDNI-OAHLLOKOSA-N 347.528 4.459 0 40 EIAB CCCOc1ccc(Br)cc1C(=O)NCc1ccccc1 14651736 OTEJNFDGLUKGSQ-UHFFFAOYSA-N 348.240 4.168 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1csc(C)n1 14771816 SBTAPCYDZSGPMJ-VQHVLOKHSA-N 330.453 4.410 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 15309181 FSPNVLIHSQZYFZ-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)c1nnc(-c2ccccc2)o1 15507044 SXQXZRHWNSEDOP-AWEZNQCLSA-N 348.406 4.037 0 40 EIAB Fc1ccc(SCCCNC(=S)NCCc2ccccc2)cc1 16318577 RJNVNJUDRWWQFG-UHFFFAOYSA-N 348.512 4.015 0 40 EIAB Clc1cc2c(cc1CSc1nnc(-c3ccccc3)o1)OCO2 16493614 XHDYEILKYFYIJV-UHFFFAOYSA-N 346.795 4.411 0 40 EIAB Cn1c(Cl)cnc1CN1CCC(c2nc3ccccc3s2)CC1 18034176 CMKGNCRDOAHPQA-UHFFFAOYSA-N 346.887 4.063 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccc(F)cc1Br 19295457 OFXSWJJPXCOLNM-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB Fc1ccccc1Cc1nnc2sc(-c3ccc(Cl)cc3)nn12 19909989 BUIATNNPLPHKRD-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB Cc1ccn2c(NC(=O)c3ccco3)c(-c3ccc(F)cc3)nc2c1 21826037 CZJFIBBHAUTGRA-UHFFFAOYSA-N 335.338 4.294 0 40 EIAB O=C(NCC1(c2cccs2)CCCCC1)c1ccc2c(c1)OCO2 23237162 DCOAYSOOIZKHCG-UHFFFAOYSA-N 343.448 4.109 0 40 EIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc2c(c1)CCC2 26246181 FSMYCCQJGYWNPX-UHFFFAOYSA-N 344.414 4.402 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccccc1 27969507 SHJGLADATFNHCO-CQSZACIVSA-N 339.826 4.076 0 40 EIAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1OC 32115180 AGGNCPQVLMZNHF-UHFFFAOYSA-N 340.423 4.385 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1occc1COc1ccccc1 32889052 IUBRBTCIOXGTKZ-LJQANCHMSA-N 333.387 4.276 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1Cl 40478367 RLAWDVAOMMMQIJ-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1nc(C(C)(C)C)no1 48325777 DOFJQTWGBOQLIX-JTQLQIEISA-N 329.429 4.006 0 40 EIAB Cc1ccc(OCCSCCC(=O)Nc2ccccc2F)cc1 48373972 JZBDXZMPZYMEAV-UHFFFAOYSA-N 333.428 4.275 0 40 EIAB CO[C@@H](C(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccccc1 63624722 NHHYEGMPKCBTEO-QGZVFWFLSA-N 331.843 4.122 0 40 EIAB O=C(Nc1ccccc1Sc1nncs1)[C@@H]1C[C@H]1c1ccco1 69566785 LXOZGHUUDWWWJU-GHMZBOCLSA-N 343.433 4.025 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccc2ccccc2n1 71911309 VULCQLOSSQNVCZ-UHFFFAOYSA-N 343.386 4.475 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N1CCc2c([nH]c3ccccc23)C1 72167161 NYXYKJRVZFKNGO-UHFFFAOYSA-N 343.386 4.021 0 40 EIAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl 72227997 UTRGGMKEXWIVID-KGLIPLIRSA-N 341.625 4.062 0 40 EIAB Cc1csc(SCC2CCN(C(=O)Nc3ccccc3)CC2)n1 90608138 WSEGAHSZAQYBCN-UHFFFAOYSA-N 347.509 4.488 0 40 EIAB Cc1csc(CSc2nnc3c(Cl)cc(Cl)cn23)n1 95418395 IWWBTQBGIRGFGN-UHFFFAOYSA-N 331.253 4.093 0 40 EIAB CS[C@@H]1CCCC[C@H]1NCc1cccc(COC2CCOCC2)c1 95967917 GCKMXBXQHMDWOJ-WOJBJXKFSA-N 349.540 4.146 0 40 EIAB CCN(C)c1ccccc1NC(=O)N(CC)[C@H](C)c1cccnc1 96406986 GEDAGRTVVUOBNC-OAHLLOKOSA-N 326.444 4.153 0 40 EIAB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 101702231 MSGJBXBPJDFSGP-WMHQRMGPSA-N 349.352 4.187 0 40 EIAB Cc1ccc(SCC(=O)NCc2cccc(OC(C)C)c2)cc1 113935155 OVKRXFJUCDTFFY-UHFFFAOYSA-N 329.465 4.191 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222995504 POSOSJUGBUAWHF-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB Cc1cccc(OCCNC(=O)COc2cccc3ccccc23)c1C 223936609 UPGGPNIQRLGBKH-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB Cc1cccc(OCCNC(=O)CCc2ccc(Cl)cc2)c1C 223971197 ANZYCIAHISWBAG-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CCOCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OCC 224692760 UYJVSJNTUJKLOQ-UHFFFAOYSA-N 347.842 4.205 0 40 EIAB Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 224927099 UEALOZCCUOYKCL-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)C(C)(C)C 225266437 HZNLAUAXMZBNIY-UHFFFAOYSA-N 329.444 4.039 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 225454000 SXGMRFJVZGQSER-UHFFFAOYSA-N 341.480 4.334 0 40 EIAB CCc1ccccc1NC(=O)c1snnc1-c1ccc(F)cc1 225778017 NINHRZIRWSTVDL-UHFFFAOYSA-N 327.384 4.159 0 40 EIAB Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2n1C 225893972 VGKJNQSVDDSTAT-UHFFFAOYSA-N 334.206 4.441 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC1 226330636 XLLNLBCYIXCQJY-UHFFFAOYSA-N 329.831 4.083 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260740928 ARBQORPFZLAVNC-GIPAHHNCSA-N 327.468 4.028 0 40 EIAB Oc1ccccc1-c1nc(SCc2ccc3ncccc3c2)n[nH]1 390835833 ZIYKUALGJDQFPO-UHFFFAOYSA-N 334.404 4.018 0 40 EIAB O=C(NCC1CCC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 613645110 YGEZCAHBQSFXQU-UHFFFAOYSA-N 331.419 4.069 0 40 EIAB COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O 35019 VHBVZDCCHLNMTN-OAHLLOKOSA-N 349.386 4.037 0 40 EIAB CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 198463 KWIBTNACMQKSKT-UHFFFAOYSA-N 326.783 4.369 0 40 EIAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nccs3)cc12 413049 NPQOWCUVERMRFW-UHFFFAOYSA-N 340.433 4.104 0 40 EIAB O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1ccccc1O 502928 JEUZTUAJWYRKQF-OUKQBFOZSA-N 348.427 4.072 0 40 EIAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(Cl)c1)CC3 546580 ZVZZXQGBWKXLGX-UHFFFAOYSA-N 333.774 4.392 0 40 EIAB Cc1ccc(C(=O)N(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1723190 CHEXJPBWBYMKGD-UHFFFAOYSA-N 343.382 4.118 0 40 EIAB COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CCN 1724558 CLSPQKAUIFQAIM-UHFFFAOYSA-N 327.815 4.142 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccccc1Cl)CO3 2113964 JJHKBLLFSMFFTK-UHFFFAOYSA-N 341.794 4.420 0 40 EIAB biogenic CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 3348412 WQGJYOOVBJPJRB-UHFFFAOYSA-N 349.430 4.479 0 40 EIAB Cc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2n1 3360440 UDTOJMQBYLNUFM-UHFFFAOYSA-N 344.370 4.064 0 40 EIAB O=C(O)C1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCC1 4898511 FAFKHUOWPYNOKP-UHFFFAOYSA-N 347.720 4.253 0 40 EIAB CC(C)[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 5025306 IFIMGBXTJZSFDD-NSHDSACASA-N 332.256 4.325 0 40 EIAB COc1ccccc1CC(=O)Nc1nc2c(C)cc(C)cc2s1 5637448 LXTXXDWBESKWQE-UHFFFAOYSA-N 326.421 4.103 0 40 EIAB Cc1csc(=O)n1CC(=O)Nc1c(C(C)C)cccc1C(C)C 6846650 XWEPOBTTZAWCLH-UHFFFAOYSA-N 332.469 4.104 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2c(C)noc2C)cc1 7778013 OWAYQXKQQWMIRU-UHFFFAOYSA-N 349.434 4.091 0 40 EIAB CNc1nnc(SCC(=O)c2sc3ccccc3c2C)s1 8251497 GKWXYDCKLMYMKA-UHFFFAOYSA-N 335.479 4.078 0 40 EIAB Cc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1C 9332722 QXPCLNSGBDCHSV-UHFFFAOYSA-N 331.379 4.227 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccncc4)cc3c2C1 10132613 SXDSDHWPRXRBKN-UONOGXRCSA-N 333.435 4.179 0 40 EIAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 10448340 UEHMJCDABORYPN-INIZCTEOSA-N 325.452 4.376 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCc2sccc2C1 10767443 ZFADUYOWDUQZME-GFCCVEGCSA-N 334.872 4.095 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)c1C 11903234 ANGBFULXJBRRTD-ZDUSSCGKSA-N 325.437 4.299 0 40 EIAB COc1ccc(OC)c(NC(=O)C2(c3cccs3)CCCC2)c1 12157403 HIZPEBRQDMGJIT-UHFFFAOYSA-N 331.437 4.216 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccccn1 12555094 MNIIGCMYOQYIRD-UHFFFAOYSA-N 327.387 4.342 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1Cl 12793440 LJYIBGCGVWAXKE-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB Cc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 12906220 ZVUDUCNDWBZYDT-UHFFFAOYSA-N 345.446 4.204 0 40 EIAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccccc3)c12 14245351 KEURZPAAGAWUEJ-UHFFFAOYSA-N 347.374 4.063 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 15082878 TZDQBEYMJIVWGB-NSHDSACASA-N 331.437 4.142 0 40 EIAB Cc1ccc(C2(CNC(=O)c3cc(C)ccc3C)CCOCC2)cc1 16970697 AYKVTUVKRPVBRA-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB FC(F)(F)c1ccc(NC(=S)N2CCc3ccccc3C2)cc1 17070705 PHPZDNRWRCZAJJ-UHFFFAOYSA-N 336.382 4.461 0 40 EIAB CCCc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)s1 19525483 MCLVBKSSWJXHOC-UHFFFAOYSA-N 327.453 4.383 0 40 EIAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccn2)s1 19819597 CQLHOSVBDVSPII-UHFFFAOYSA-N 329.450 4.146 0 40 EIAB COC(=O)c1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 20096523 OXQYECFFCWVVTE-UHFFFAOYSA-N 337.419 4.232 0 40 EIAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(N)=S)cc1F 20132993 ZFRJHYYXOVVITB-FXBPSFAMSA-N 346.814 4.400 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21576376 BVBXVJRAQGYBHN-UHFFFAOYSA-N 342.414 4.142 0 40 EIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc2nsnc2c1 21595672 DWEQLLMJBNACPF-UHFFFAOYSA-N 331.400 4.195 0 40 EIAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 22506543 KLWQNYQSPOCNDH-UHFFFAOYSA-N 339.395 4.004 0 40 EIAB O=C(OCc1nc2ccccc2o1)c1occc1COc1ccccc1 23203640 LFANFYIYAGTHFS-UHFFFAOYSA-N 349.342 4.357 0 40 EIAB CC(C)OCc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 25172458 KAGVWZCNWLQESR-UHFFFAOYSA-N 349.434 4.109 0 40 EIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1 27663898 QMLBBSUHCDRFOL-LJQANCHMSA-N 342.870 4.297 0 40 EIAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCc1ccccc1 31867919 JOCPVIFAYHQOPY-UHFFFAOYSA-N 336.460 4.015 0 40 EIAB O=C(NCc1cccs1)c1cc(-c2ccco2)nn1-c1ccccc1 32868820 WXZZCQXNAQFIMO-UHFFFAOYSA-N 349.415 4.124 0 40 EIAB CCOc1cc(/C=C/C(=O)NC(C)(C)CC)ccc1OC(F)F 36259288 LNLHSQLVUZUPIF-CSKARUKUSA-N 327.371 4.005 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccccc2F)C1 36360196 MIAFEQKBVIEUKX-GFCCVEGCSA-N 325.318 4.274 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1cccc(F)c1 36620547 NOYPMBHACILROW-INIZCTEOSA-N 339.819 4.005 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccccc2Cl)n1 36763634 YXFYESZPULRBJG-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 38773060 UNDKOSUFDZGJRK-MRXNPFEDSA-N 338.451 4.177 0 40 EIAB O=C(Nc1ccccc1N1CCCC1)N(Cc1ccccc1)C1CC1 40103763 GBXPLHBJINRSCC-UHFFFAOYSA-N 335.451 4.483 0 40 EIAB Cc1cc(N2CCCC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216720 IWWXBUBATHKGKZ-UHFFFAOYSA-N 326.831 4.267 0 40 EIAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(Cl)cc2)o1 40544673 KYPUHEFGJOFWLU-AATRIKPKSA-N 327.561 4.460 0 40 EIAB O=C(CCCOc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 42521617 LXEONPDPWQWICN-UHFFFAOYSA-N 346.430 4.470 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccc(Sc2nncs2)cc1 47407858 CCHBEIPICYJHDI-UHFFFAOYSA-N 345.424 4.010 0 40 EIAB c1ccc(CCCSc2nnc(-c3cccnc3)n2C2CC2)cc1 58218683 DZMXTSDAOKJNQT-UHFFFAOYSA-N 336.464 4.400 0 40 EIAB Cn1c([C@@H](NC(=O)CC2CCCC2)c2ccccc2)nc2ccccc21 58414636 DUCXMZLSWXLDTE-NRFANRHFSA-N 347.462 4.359 0 40 EIAB CCOc1ccccc1CNC(=O)COc1ccccc1C(C)(C)C 64762486 YIQGBRAZJZNJDA-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB CCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67258681 MWDHEFNSRVURGI-UHFFFAOYSA-N 346.402 4.377 0 40 EIAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cc(Cl)sc1Cl 69527909 FPBIWNXRKMNURP-UHFFFAOYSA-N 339.207 4.092 0 40 EIAB CCCCC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 71909310 GFQZJVHSKNIARQ-QHCPKHFHSA-N 329.465 4.264 0 40 EIAB CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2SC(F)F)C1 72283374 CETPXZNLQSUXKM-GFCCVEGCSA-N 344.427 4.282 0 40 EIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)c1 72329105 YLAQONBFKGCXHL-UHFFFAOYSA-N 333.435 4.439 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccncc1Cl 73012024 CDLMTZYBWIGAAO-SFHVURJKSA-N 340.785 4.394 0 40 EIAB C[C@@H](C(=O)Nc1ccc(Sc2nncs2)cc1)c1cccs1 78080947 QYFJBWJOMAQZQS-SNVBAGLBSA-N 347.490 4.493 0 40 EIAB CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H](c1ccccc1)c1ccccn1 83843919 CGFQQSYIJYZPHN-KCZVDYSFSA-N 342.442 4.433 0 40 EIAB FC(F)(F)c1cccc(-c2noc(-c3cccnc3Cl)n2)c1 89262764 OABDKIJUXOUTPZ-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3O)c2c1 89467070 REZKNFJVLFJXBH-UHFFFAOYSA-N 334.375 4.079 0 40 EIAB Cc1noc(C)c1CNc1cnn(-c2cccc(C(F)(F)F)c2)c1 92569120 AYXWSRCRCWYERK-UHFFFAOYSA-N 336.317 4.108 0 40 EIAB O=C(CCCc1ccc(O)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 95414340 JBOUMNQKXXVMJG-GOSISDBHSA-N 329.827 4.342 0 40 EIAB CCc1cnc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)o1 95414841 BYNAVSZLIMDTCX-CQSZACIVSA-N 336.819 4.060 0 40 EIAB Cc1ccc(C(=O)c2cc(F)c(F)c(F)c2)cc1Br 95917360 ZFRHGBPRYGFNBY-UHFFFAOYSA-N 329.115 4.406 0 40 EIAB C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc2ccccc2c(=O)[nH]1 95945706 NAMOHXUVCAGGKP-INIZCTEOSA-N 332.447 4.329 0 40 EIAB C[C@H](N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 95958774 JVVWCCXGHIASHJ-JXFKEZNVSA-N 332.451 4.055 0 40 EIAB CCCOc1cccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 95984722 WWARQCTVYDOQEV-KRWDZBQOSA-N 342.443 4.184 0 40 EIAB O=C(NCCn1ccc(-c2cccs2)n1)Nc1ccccc1Cl 96103883 UPXBIEUWVREBSF-UHFFFAOYSA-N 346.843 4.087 0 40 EIAB CC(=O)Nc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)cc1 96410509 VIUZQIWNPREVRW-UHFFFAOYSA-N 337.423 4.252 0 40 EIAB C[S@](=O)c1cccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 96413417 NMSCTQDTHASPSK-UPCLLVRISA-N 346.452 4.166 0 40 EIAB COc1ccc(Br)cc1NC(=O)Nc1ccsc1 97164670 ZVGHOZJJLRNTQO-UHFFFAOYSA-N 327.203 4.163 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 101512756 QGQQDNQFNPPGQK-VOWSPCBNSA-N 344.430 4.333 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 216311878 YKKOQOZMMZMXJF-CYBMUJFWSA-N 349.883 4.488 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(OC)c1 216342553 NFRZMEWXNKDIBI-AWEZNQCLSA-N 343.423 4.233 0 40 EIAB O[C@@H]1CCCC[C@@H]2[C@H]1[C@@H](c1cccc(F)c1)CN2Cc1ccccc1 218903110 SETGIDMDBVUFBQ-GXRSIYKFSA-N 339.454 4.345 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)Nc1cccc(Br)c1 223846351 RVLIPWUPRUZOLP-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB COCc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 224259692 SKOPADYKYDWHQW-UHFFFAOYSA-N 333.815 4.121 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 224634205 QINGWVIOCBDTOZ-HZPDHXFCSA-N 349.430 4.493 0 40 EIAB CC(C)(C)SCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224985002 KRNAAXWRADDYRC-UHFFFAOYSA-N 329.893 4.145 0 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O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Br)c[nH]1 12756227 QUQQTNPUMYAIND-UHFFFAOYSA-N 348.225 4.153 0 40 EIAB Cc1ccc([C@@H](NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 12781748 LDMCBVUDMMNGAA-LJQANCHMSA-N 348.450 4.202 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12926190 XCYVJJQIPLBVSQ-MRXNPFEDSA-N 335.447 4.324 0 40 EIAB CCc1ccc(-c2n[nH]c(SCc3ccc(OC)cc3)n2)cc1 13002005 FJXHDOUYXSWVBB-UHFFFAOYSA-N 325.437 4.335 0 40 EIAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)C(C)C 14258109 BQLPVMBJAYMXBH-UHFFFAOYSA-N 336.439 4.447 0 40 EIAB COc1ccccc1OCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 14903678 JDUOIYMBCWWMKE-UHFFFAOYSA-N 339.313 4.040 0 40 EIAB COc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)s1 16517569 VSDQWZIHHAOYNI-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB CCSc1ccccc1NS(=O)(=O)Cc1ccccc1Cl 20038504 WBFOLVOFBXGYIP-UHFFFAOYSA-N 341.885 4.394 0 40 EIAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 20141907 CCJNYVHFTQUTJE-GFCCVEGCSA-N 327.380 4.123 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccc2ccccc12 20455635 YZVXQGXMXFZCPZ-MRXNPFEDSA-N 349.430 4.274 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)CCCOc2ccccc2)c1 21006651 UULYDNRVJORRJJ-UHFFFAOYSA-N 327.424 4.487 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2 21046702 RKFOYTUGBUZBDC-VQHVLOKHSA-N 325.364 4.363 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccs1 22687710 DAVKHHDGGUJCDD-LBPRGKRZSA-N 343.279 4.088 0 40 EIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccco1 24503736 ZUQFYKYLCCKXRF-HNNXBMFYSA-N 348.402 4.365 0 40 EIAB COc1ccccc1Oc1ccccc1C(=O)NCc1ccccc1 27061623 LVQKNUMXDGWSOP-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3)no2)cc1 27579940 KORGVIVTZMGOTF-UHFFFAOYSA-N 338.363 4.001 0 40 EIAB Cc1cc(C(=O)NCc2csc(Br)c2)c(C)s1 32581322 FZALCPMGCRRSJA-UHFFFAOYSA-N 330.272 4.119 0 40 EIAB CC(C)CCC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)c1nccn1C 32809231 PYMUASBZNSYIDF-AEFFLSMTSA-N 342.487 4.024 0 40 EIAB CSCc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)o1 32860381 XUEKKALAFTXCNG-UHFFFAOYSA-N 337.401 4.019 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C 35476459 LPZFATWJQOBVST-GOSISDBHSA-N 347.455 4.277 0 40 EIAB C[C@@H](NCc1ccccc1OCC(=O)NC1CCCCC1)C(C)(C)C 36612540 IWQNOTGGLMLYRN-MRXNPFEDSA-N 346.515 4.039 0 40 EIAB COc1ccccc1[C@]1(O)C[C@H](c2ccccc2)Oc2ccccc21 38338099 UAJMXURETQEZQJ-FGZHOGPDSA-N 332.399 4.455 0 40 EIAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccccc2)CC1 39755874 CGYXYDKDXMBDOM-UHFFFAOYSA-N 328.843 4.191 0 40 EIAB O=C(Nc1nncs1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 40152244 VKGDFLQALTZYKF-UHFFFAOYSA-N 343.239 4.041 0 40 EIAB CCOC(=O)/C(=C\c1ccccc1)c1nccn1Cc1ccccc1 54180307 GQWYCGJSVVYJBJ-CYVLTUHYSA-N 332.403 4.035 0 40 EIAB CC(C)c1csc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1 58248683 BEFZDAQPXYNZIF-QGZVFWFLSA-N 337.448 4.181 0 40 EIAB C[C@H]1CCc2[nH]c3c(C(=O)N(C)CCc4ccncc4)cccc3c2C1 58356428 HWQIGKKLVPDARH-HNNXBMFYSA-N 347.462 4.002 0 40 EIAB CCCc1cc(-c2nc(C)c(C(=O)Nc3ccncc3)s2)ccn1 71281045 KPXJVWYJKLUMNH-UHFFFAOYSA-N 338.436 4.113 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CC[C@H]2CCCC[C@@H]2C1 71847953 RAEBRTNCRWLDCF-HZPDHXFCSA-N 326.440 4.189 0 40 EIAB Cc1ccc(C)c(N(C)C(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 71882689 OTYYVOVISXPZJE-UHFFFAOYSA-N 329.350 4.394 0 40 EIAB Cc1cc(-c2cnc(NCc3ccccn3)nc2-c2ccc(C)o2)on1 72340108 KMIXUCZSVUCBBR-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB O=C(CCc1ccco1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 89878960 OGMLKMHGAYRKKF-IBGZPJMESA-N 340.810 4.166 0 40 EIAB FC(F)(F)c1ccc(Oc2cccc(CC3CCNCC3)c2)nc1 91302733 RAJUJDLYUGDSCX-UHFFFAOYSA-N 336.357 4.435 0 40 EIAB C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccsc1 95420533 NDYHAZCKXZDLTB-CQSZACIVSA-N 340.448 4.122 0 40 EIAB Cc1nnc(-c2cccc(NCc3cnc(C(C)(C)C)s3)c2)o1 95429203 WYOLDUBAKGLXON-UHFFFAOYSA-N 328.441 4.411 0 40 EIAB COc1ccc2c(OCc3csc([C@@H]4CCCO4)n3)ccnc2c1 95442471 AEIURQGOERGEDO-KRWDZBQOSA-N 342.420 4.130 0 40 EIAB O=[S@](Cc1csc(CCc2ccccc2)n1)c1ccccc1F 95964509 IQBSDCXILOPJBT-QHCPKHFHSA-N 345.464 4.375 0 40 EIAB CN(Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccc(F)cc1)CC2 96051562 CGBXQOQMSCQQNC-HXUWFJFHSA-N 342.458 4.295 0 40 EIAB O=C(NCCCCc1nccs1)c1ccc(F)cc1C(F)(F)F 195542186 RETICKMHUWGTNF-UHFFFAOYSA-N 346.349 4.054 0 40 EIAB Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 214512215 BJTUUZMOBRMBKO-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB Cc1cccc(CSCC(=O)NCc2cccc(OC(C)C)c2)c1 222740656 JNRFWOCEQLFKLK-UHFFFAOYSA-N 343.492 4.332 0 40 EIAB COc1ccc(CNC(=O)c2cc3cc4ccccc4nc3s2)cc1 223127161 MOLVBSREJAZHPV-UHFFFAOYSA-N 348.427 4.388 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3ccc(C)c(C)c3)c(C)n2)cc1 223139995 UJSZOWATXWOXMO-UHFFFAOYSA-N 347.418 4.330 0 40 EIAB Cc1ccc(SCCCNC(=S)Nc2cc(C)ccn2)cc1 225589144 NKGGPSIVIJAUMN-UHFFFAOYSA-N 331.510 4.167 0 40 EIAB COc1cccc2cc(C(=O)NCc3cccnc3-c3ccco3)oc12 225660366 CCQBZZSABSKVOK-UHFFFAOYSA-N 348.358 4.026 0 40 EIAB Cc1cccc([C@H](NC(=S)Nc2cccnc2)c2ccccc2)c1 225701703 BWCWEEQTUNRQRR-LJQANCHMSA-N 333.460 4.466 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1 225864307 AJWQJWGHCRWDTK-QGZVFWFLSA-N 347.480 4.050 0 40 EIAB C/C=C/c1cc(C)ccc1[C@H](C)[C@@H](O)[C@@H](C)c1cc(O)c(C)c(=O)o1 1772591481 YGJPBGVCODIPCC-IEPLWZOZSA-N 342.435 4.263 0 40 EIAB O[C@@H](CNc1nc2ccccc2o1)c1ccc(-c2ccco2)s1 1775970172 FLHDQVJJHKNHBY-LBPRGKRZSA-N 326.377 4.295 0 40 EIAB CCc1nc2ccccc2c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)c1C 104385 NHHBLYXTJNNTMJ-GASCZTMLSA-N 339.483 4.022 0 40 EIAB C[C@H]1CCc2c(sc3ncnc(Nc4ccc(C(=O)O)cc4)c23)C1 144687 WLHCLBCOEGXXQF-JTQLQIEISA-N 339.420 4.258 0 40 EIAB CC(C)(C)n1nc2c(c1NC(=O)c1cccc(Cl)c1)CSC2 189422 ZPBWDGSDZCKPOB-UHFFFAOYSA-N 335.860 4.291 0 40 EIAB O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1F 1105165 SYJPYSNIYHXGRI-UHFFFAOYSA-N 336.388 4.305 0 40 EIAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc(Cl)cn3)c2C1 2806417 UJQGYEYVTGRSSE-SNVBAGLBSA-N 333.819 4.126 0 40 EIAB Cc1cc(C)c2nc(NC(=O)COc3ccccc3F)sc2c1 3184216 NDQKYZBRJNYISJ-UHFFFAOYSA-N 330.384 4.070 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 3900859 ZDQKZWDSZNBPRC-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O 4308987 MKTASFILKHBQTM-AOMKIAJQSA-N 348.446 4.354 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385036 SISXMXSDJSQZBR-ZDUSSCGKSA-N 339.826 4.230 0 40 EIAB O=C(CNc1ccccc1Oc1ccccc1)N1CCc2ccccc21 4904802 CFULIAHTHAXLOR-UHFFFAOYSA-N 344.414 4.480 0 40 EIAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCC2CC2)c1C 4966840 WRCSVSICHNVWFG-UHFFFAOYSA-N 326.831 4.488 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3o2)c1 5628613 SCGOBQWIXUZMGM-GFCCVEGCSA-N 340.404 4.150 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)Cc2coc3cc(C)ccc23)c1 6082486 ZUSFEUPPYBIESW-UHFFFAOYSA-N 336.387 4.327 0 40 EIAB CC(C)=CCSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 6256896 DDTPGTWKFAPXJW-GFCCVEGCSA-N 341.477 4.350 0 40 EIAB O=C(OCc1c(F)cccc1Cl)[C@@H]1Cc2cc(Cl)ccc2O1 6590134 GQNQKDDWMAQVRQ-HNNXBMFYSA-N 341.165 4.179 0 40 EIAB O=C(CNc1ccccc1F)NC(c1ccccc1)c1ccccc1 6602333 JQZXNVOLULDSFU-UHFFFAOYSA-N 334.394 4.143 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)S[C@H](C)C(=O)N2 6678500 SAIHZMXPSXOMTJ-JMCQJSRRSA-N 342.251 4.188 0 40 EIAB CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 7699870 BFNVTIBRTBSSSN-ZDUSSCGKSA-N 332.444 4.179 0 40 EIAB COc1cccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 7736958 HFPQLVDQLIERRF-UHFFFAOYSA-N 337.448 4.446 0 40 EIAB Cc1nn(C)c(C)c1Nc1ncnc2scc(-c3ccccc3)c12 7813586 ZJWUIVJWKXITMJ-UHFFFAOYSA-N 335.436 4.452 0 40 EIAB Cn1cccc1[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 7855520 UIRLCRUHWYJUAJ-MRXNPFEDSA-N 342.830 4.066 0 40 EIAB S=C(NCCCc1ccccc1)Nc1cccc(Br)c1 8104743 JEBSXYVQJAMXQG-UHFFFAOYSA-N 349.297 4.368 0 40 EIAB Cc1cccc2c(C(=O)NC[C@H]3CCCO3)cc(-c3ccccc3)nc12 8471958 NUTSGZWSCIOPTP-QGZVFWFLSA-N 346.430 4.119 0 40 EIAB Cc1cnc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)s1 9530833 ZZCYIEYLOCFXGL-UHFFFAOYSA-N 340.433 4.104 0 40 EIAB COc1cccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)c1 11557742 CBEGORLMVWGYJQ-HNNXBMFYSA-N 332.400 4.193 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)NC(C)C)cc1C(C)C 11565922 DGKWZZPJCOGFJD-UHFFFAOYSA-N 327.490 4.066 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(Br)c1 12681107 WLMWJQMWVWRNLS-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(C)cc3)no2)cc1 12755499 HCQZVGDFAAKFLB-IBGZPJMESA-N 349.434 4.391 0 40 EIAB CC[C@@H](NC(=O)CCC(=O)c1ccc(C)s1)c1ccc(OC)cc1 12915007 LHZLAYZFXJLGGM-MRXNPFEDSA-N 345.464 4.296 0 40 EIAB Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2F)nc(C(C)C)n1 13987934 QMQXBONFMIVOGQ-LBPRGKRZSA-N 333.432 4.167 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)NCCc1cccs1 14160486 BAOSKVWNMGOIGS-UHFFFAOYSA-N 334.491 4.214 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 15361022 BXKSCKLFSCBGAA-CYBMUJFWSA-N 333.815 4.453 0 40 EIAB O=C(CC(c1ccccc1)c1ccccc1)NCCOc1ccccc1 17850033 MDXXUTQCDMLWPE-UHFFFAOYSA-N 345.442 4.404 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F 19736648 OXOPDRBQDMJXSD-LBPRGKRZSA-N 330.403 4.111 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(OC(C)C)c1 20493441 HAVUTHBYQYSUMX-IBGZPJMESA-N 343.423 4.279 0 40 EIAB COc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1 22072101 SYQWBRDVLYCAGR-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB COc1ccc(OC)c(NC(=O)c2c(C)nc3ccccc3c2C)c1 22461339 XHYVZVSRYZCBEA-UHFFFAOYSA-N 336.391 4.121 0 40 EIAB Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 27581282 SYJIIRMUXINVCN-LJQANCHMSA-N 342.870 4.215 0 40 EIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)C1CCCCC1 27922429 PGMJWRADEVTLRF-UHFFFAOYSA-N 329.419 4.206 0 40 EIAB Cc1noc([C@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)n1 30453802 WAXGYGZDZIAYFY-NSHDSACASA-N 344.802 4.179 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CCOc1cccc(C)c1C 31547364 FFLAYRKEACCPJG-UHFFFAOYSA-N 333.815 4.373 0 40 EIAB CCc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1 32895342 FVDTUHMBSCTGHZ-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB O=C(c1ccc(F)cc1F)N1CCSc2ccc(Cl)cc21 40071168 CKRMNXJOIORHLQ-UHFFFAOYSA-N 325.767 4.371 0 40 EIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCCC3)c12 40128527 VDCUPEHTXTUBNY-UHFFFAOYSA-N 340.471 4.045 0 40 EIAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H]2c2cccs2)n1 40516128 LVUAHGIIUQFKDF-CYBMUJFWSA-N 347.484 4.115 0 40 EIAB Cc1cccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 41077021 GRJJCSRNQYRBEM-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c2ncccc12 41157037 VASZMUPBQXDKHU-KRWDZBQOSA-N 338.382 4.478 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 46722308 MVWMPRLNZBHMPC-ZWKOTPCHSA-N 349.365 4.150 0 40 EIAB Cc1c(C(=O)Nc2ccccc2-n2cccn2)oc2ccc(F)cc12 47973966 ROFGHIUMMVMLJZ-UHFFFAOYSA-N 335.338 4.318 0 40 EIAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1CC1CCCCC1 58316395 JMAANKIGSCIGSK-INIZCTEOSA-N 338.451 4.103 0 40 EIAB COCCCc1nc(-c2cc(C)n(-c3cc(C)on3)c2C)cs1 63630185 UEWKSWFNPGUYRB-UHFFFAOYSA-N 331.441 4.093 0 40 EIAB O=C(Nc1ccc2[nH]ccc2c1)N1CCC([C@H](O)c2ccccc2)CC1 71803340 FINAMAZPCSSLKW-HXUWFJFHSA-N 349.434 4.145 0 40 EIAB Cc1noc(C)c1COC(=O)c1cccc2c3c([nH]c12)CC[C@H](C)C3 71850403 CCZNLJFEZTXDQO-NSHDSACASA-N 338.407 4.255 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)NCCc2ccccc2)o1 72265336 YSMMDKUOOJTKRW-UHFFFAOYSA-N 337.375 4.053 0 40 EIAB O=C(CSc1ccc(F)cc1)N1CCC(c2cccs2)CC1 75157042 GRVIBSJKDCTPFB-UHFFFAOYSA-N 335.469 4.386 0 40 EIAB Cc1c([C@@H](C)NC(=O)c2cnc3onc(C)c3c2)oc2ccccc12 84068155 ADYWOIQIIYMYNI-GFCCVEGCSA-N 335.363 4.077 0 40 EIAB O=C(Nc1ccnc(-c2ccccc2)n1)c1ccccc1C(F)(F)F 84564904 HHVAMSFGRUXEGA-UHFFFAOYSA-N 343.308 4.415 0 40 EIAB O=C(Nc1nnc(-c2ccsc2)s1)c1cc2c(s1)CCC2 84618575 UFPKPPYUPATHAA-UHFFFAOYSA-N 333.463 4.069 0 40 EIAB CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(OC)ccc1Br 95459132 PSDYGMZEQDUBIR-QWRGUYRKSA-N 341.249 4.253 0 40 EIAB O=C(c1noc2c1CCCCC2)N1CCC(Cc2ccccc2)CC1 95472921 QZRSGOHWFYFFLH-UHFFFAOYSA-N 338.451 4.038 0 40 EIAB CC(C)(C)c1ccc(-c2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)cc1 95534024 QTILLFKUDOOBBW-MRXNPFEDSA-N 340.858 4.471 0 40 EIAB Cn1cc(CNc2cc(C(F)(F)F)ccc2N2CCCCC2)cn1 95964717 SZBDLLHRZPTWJS-UHFFFAOYSA-N 338.377 4.041 0 40 EIAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)Nc1cccs1 96099253 HWUQHKFBYUMSDC-UHFFFAOYSA-N 344.484 4.260 0 40 EIAB CCOc1cc(NC(=O)N(C)[C@H](CC)c2ccncc2)ccc1C 96415899 RJGYGRJUCJRTGC-QGZVFWFLSA-N 327.428 4.404 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Nc2c(C)noc2C2CC2)c(Cl)c1 97103436 VIBHGZUVUFPXCF-UHFFFAOYSA-N 348.790 4.116 0 40 EIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cn2cc(Cl)ccc2n1 102120354 ZDFVGVMQXWFXKP-MLPAPPSSSA-N 330.174 4.134 0 40 EIAB O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(F)cc1 102963075 VFWGESVKDCYDLY-UHFFFAOYSA-N 347.773 4.040 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)c(C)c1 113960337 KNGCIGUQRSSWOG-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB COc1cccc2c1CCCCN2C(=O)c1cc2nc(C)ccc2o1 178888593 WVPBXAIUZMRXJP-UHFFFAOYSA-N 336.391 4.128 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2cccc(C)c2C)cc1C 223967333 PCQXEGZBSIVDMU-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB CCCCc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1 225128748 ZNOLQIYOJJTALL-IBGZPJMESA-N 328.408 4.113 0 40 EIAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1c(C)noc1C 225626245 ZSOPHQJCJFRMQN-UHFFFAOYSA-N 348.362 4.055 0 40 EIAB C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)O)ccc2O1 257222352 DSYMWOOGOHRHCK-LJQANCHMSA-N 330.811 4.294 0 40 EIAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(F)cc2Cl)O[C@@H]2CCC[C@@H]12 257293712 QQVWASKUNBNXME-RKTXRCNFSA-N 339.838 4.250 0 40 EIAB CCc1ncsc1NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 282785216 GJBIQJNQXZPQTC-GFCCVEGCSA-N 330.453 4.286 0 40 EIAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)/C=C/C(=O)O 408735549 SEFNRVNMNYFAGB-TWLJRWAQSA-N 349.430 4.149 0 40 EIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCS[C@@H]2CCCC[C@H]21 503429557 QQCJMUONQZUWKE-GUDVDZBRSA-N 345.508 4.081 0 40 EIAB COc1ccc(C)cc1NC(=O)/C(Br)=C/c1ccccc1 113696 WANLWVQVOOXPKQ-KAMYIIQDSA-N 346.224 4.378 0 40 EIAB O=S(=O)(c1ccccc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 143953 YOJIWIMJJYIWJI-IBGZPJMESA-N 340.375 4.495 0 40 EIAB Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1C(C)(C)C 166925 BWPJEOWGCVIJGK-UHFFFAOYSA-N 341.333 4.097 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1CCCCC1 217446 QZAPYWOVBPZHAF-UHFFFAOYSA-N 332.494 4.163 0 40 EIAB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccncc2)n1 498649 GVSYOHZPEKPMCI-UHFFFAOYSA-N 344.374 4.178 0 40 EIAB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)c2ccccc2C1=O 1593447 GQRDJUQJWCVCQH-IBGZPJMESA-N 341.366 4.486 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 2200503 JBYGUWLTBNNDCH-QGZVFWFLSA-N 348.229 4.343 0 40 EIAB O[C@@H](CNCCC1=CCCCC1)COc1c(Cl)cccc1Cl 2653744 NXDXASPELVAKCA-AWEZNQCLSA-N 344.282 4.213 0 40 EIAB Cc1ccc(-n2nnnc2SCc2ccc(Cl)cc2)c(C)c1 3367937 PYNKPRUFBNHURS-UHFFFAOYSA-N 330.844 4.225 0 40 EIAB CC(C)Sc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079439 QMAPSKYKOQAUED-UHFFFAOYSA-N 347.387 4.310 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC(c2nc3ccccc3[nH]2)CC1 4314960 HEXZZBLWVBHGFC-UHFFFAOYSA-N 345.402 4.329 0 40 EIAB COc1cccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1OC 4479387 GAROGWDBXFAOLE-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB Cc1c(C(C)C)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 4747508 MFXLCAQETMBYPG-UHFFFAOYSA-N 336.387 4.487 0 40 EIAB CC(=O)N1CCCc2cc(NC(=O)c3cccc4ccccc34)ccc21 5373684 HQXOWTFFFGAQPE-UHFFFAOYSA-N 344.414 4.391 0 40 EIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2ncsc2c1 6510593 FODQFQFIPMBXDH-UHFFFAOYSA-N 338.310 4.447 0 40 EIAB CCCNc1c(NC(=O)c2cccc(F)c2)c(=O)oc2ccccc12 6917513 MAEQKTGRFJZNON-UHFFFAOYSA-N 340.354 4.006 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)cc1F 8076470 PKHWPDDLJSXEMB-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB COCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)c2ccccc12 8106037 UJRVSZSHTGBDET-XMHGGMMESA-N 345.398 4.358 0 40 EIAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2onc(C)c12 8329182 YKOORNVXGHEPGF-UHFFFAOYSA-N 337.162 4.292 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSc1ccc(C)cc1 8478433 NCUJUAWAWPGINY-KRWDZBQOSA-N 347.455 4.200 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@H](C)c1ccccc1 8728234 LHTYWGSEQHCTOX-UTZKEFOASA-N 345.446 4.380 0 40 EIAB COc1ccc(-c2cnc(C(=O)Nc3ccccc3Cl)o2)cc1 9321604 IJJGLMMZOLCVJG-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9512399 XUNOJFBHQJVWOW-INIZCTEOSA-N 349.386 4.181 0 40 EIAB Cc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 10105339 GLDHCGYOGZRACJ-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB O=C(NCCc1ccc(Br)s1)Nc1ccccc1F 10465684 IGCGLBPMGDMSFG-UHFFFAOYSA-N 343.221 4.014 0 40 EIAB O=C(COc1ccc(F)cc1Cl)N[C@@H](c1ccccc1)C1CC1 11215785 SEQNOYDODLXMCL-SFHVURJKSA-N 333.790 4.125 0 40 EIAB C[C@H](Oc1ccccc1)c1nn2c(C3CCCCC3)nnc2s1 11279244 XVAFDNABIFVXJQ-LBPRGKRZSA-N 328.441 4.374 0 40 EIAB Cc1cc(OCCCn2c(CO)nc3ccccc32)cc(C)c1Cl 11735024 FBJSGEFHGPURFH-UHFFFAOYSA-N 344.842 4.268 0 40 EIAB Cc1ccc(-c2cc(C(=O)O)c3cnn(-c4ccccc4F)c3n2)cc1 12396011 XPPIMQCYNPKSOD-UHFFFAOYSA-N 347.349 4.233 0 40 EIAB Cc1cnc(NC(=O)COc2ccc(Oc3ccccc3)cc2)s1 12817297 ULAWVLIXPMCCPP-UHFFFAOYSA-N 340.404 4.261 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(F)cc1F 12883495 ZQIKSEHDLFKJSD-UHFFFAOYSA-N 328.318 4.109 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccccn2)nc1C 12985454 LBYJZIJURJAAAC-CYBMUJFWSA-N 337.448 4.313 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(=O)O)cc1 13166480 KHBLFYBPXBSDAO-UHFFFAOYSA-N 331.371 4.233 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCCCSc1ccc(F)cc1 15497335 GKZSZQDIIWJPAI-UHFFFAOYSA-N 342.439 4.148 0 40 EIAB Cc1ccc(C)c([C@H](O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 19132042 VOFQAAUHBRLSNS-DYESRHJHSA-N 349.478 4.093 0 40 EIAB O=C(c1cccs1)N1CCc2cc(-c3cn4ccccc4n3)ccc21 19399806 PUTAEPSTVVIYFM-UHFFFAOYSA-N 345.427 4.266 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 20029854 QHTLHNXFERGMAZ-SNVBAGLBSA-N 330.236 4.033 0 40 EIAB COc1cccc(C(=O)c2cc3cc(Br)ccc3o2)c1 20362306 YJOVDTABHLKMSE-UHFFFAOYSA-N 331.165 4.435 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1OC 20483713 LAACIUNZOITMJO-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB O=C(COc1ccc(F)cc1)N[C@@H](c1ccc(Cl)cc1)C1CC1 21830094 XCEXEWFAUKFBEG-GOSISDBHSA-N 333.790 4.125 0 40 EIAB O=C(Nc1ccc(N2CCCC2)cn1)c1cc2c(F)cccc2s1 23137594 NRZTVFOTJDVCSK-UHFFFAOYSA-N 341.411 4.288 0 40 EIAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(NC(C)=O)cc1 25055389 LCYUIRHJKPETPG-SDNWHVSQSA-N 336.435 4.422 0 40 EIAB COc1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1OC 29375329 WPYFPSBEKIHGAH-UHFFFAOYSA-N 341.407 4.278 0 40 EIAB CCOCc1ccccc1CNC(=O)c1csc2c1CCCC2 30179944 ISBCJALQCKSEGC-UHFFFAOYSA-N 329.465 4.093 0 40 EIAB Cc1nn(C)c(C)c1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 32379997 HOTNMLXBYPBVQL-OAQYLSRUSA-N 339.483 4.017 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 32936769 SXWPOMSVHFIFJQ-UHFFFAOYSA-N 339.420 4.186 0 40 EIAB COCc1c(C(=O)N[C@@H](C)c2ccc(F)cc2F)oc2ccccc12 32983404 NZGWNUBJASGFLO-NSHDSACASA-N 345.345 4.348 0 40 EIAB Cc1cccc(Cn2cc(/C=C3/SC(=O)NC3=O)c3ccccc32)c1 33594620 XFUPANYQJACQCG-VCHYOVAHSA-N 348.427 4.322 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 33931953 IQCFSORDXVQYMH-BOPFTXTBSA-N 338.432 4.409 0 40 EIAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1 35316381 JHQMFYOAIBBHHA-HNNXBMFYSA-N 336.416 4.293 0 40 EIAB Cc1cccc(Nc2c(-c3ccccc3O)nc3cnccn23)c1C 35616406 WXKRNKDCCJGJJE-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccs3)cn2)c1 40112437 RDSOLWBWKJPALY-UHFFFAOYSA-N 338.432 4.482 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 40146183 COVQRQYKVLFGSW-APPDUMDISA-N 343.377 4.358 0 40 EIAB COc1ccc(OC)c(NC(=O)c2c(C)oc3ccc(OC)cc23)c1 41156513 PNOPCTYIIXDZHI-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB CCCc1cc(Br)ccc1OCC[C@H]1CCCNC1 42770283 VKSPMHBFLYXAMQ-CYBMUJFWSA-N 326.278 4.170 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1 43277750 ZBBMEEXWDHFPMZ-UHFFFAOYSA-N 329.469 4.247 0 40 EIAB CCc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)[nH]c(C)c1C(C)=O 48166687 OTZGPEVHYLHALO-SNVBAGLBSA-N 332.831 4.233 0 40 EIAB COc1cc(N)c2nc(Nc3nc4ccc(C)c(C)c4o3)sc2c1 57352578 YMDVAMYGJUNSCP-UHFFFAOYSA-N 340.408 4.389 0 40 EIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CCC(C)CC1 58149649 QWNYPEVNILEDFA-UHFFFAOYSA-N 329.444 4.044 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnc(C(C)(C)C)nc1 58210592 SKVCUHAJGJIVGK-KRWDZBQOSA-N 338.455 4.452 0 40 EIAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 65496037 RVEZHVDNUUIBDP-SJORKVTESA-N 327.449 4.051 0 40 EIAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 69920507 SEEHORDJRZIDQU-SNVBAGLBSA-N 344.267 4.037 0 40 EIAB Brc1ccc([C@H](NCc2ccon2)c2ccccc2)cc1 72293929 WKWBEPHRGHDDOC-QGZVFWFLSA-N 343.224 4.316 0 40 EIAB CC(C)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)o2)c(C(C)C)c1 78808607 XBZJPDAZSBTYCE-UHFFFAOYSA-N 349.452 4.182 0 40 EIAB CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 78896783 QLPZJFPABJLGHL-XEZPLFJOSA-N 342.405 4.003 0 40 EIAB COC(=O)CCCC(=O)c1ccc(OCc2ccccc2)cc1C 82721977 VTNVBJAFDISCIJ-UHFFFAOYSA-N 326.392 4.100 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 96410698 PEWIBWWUWBHNPR-UHFFFAOYSA-N 342.399 4.220 0 40 EIAB Cc1nc2ccccc2nc1S[C@H]1C(=O)[C@@H]2CC[C@]1(C)C2(C)C 100928260 GCSYATYZPFDPDT-UVIMBBFXSA-N 326.465 4.424 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3cc(C)ccc3C)s2)cc1 136352350 FJXWIYICCXUFDU-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB COCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC 224397282 UOHWUKKEMSMNNK-UHFFFAOYSA-N 340.206 4.401 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224414920 OHXPTDOPTIIDRX-KRWDZBQOSA-N 346.430 4.387 0 40 EIAB Cc1ccnc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225202554 WTJXYCAEPWROLX-UHFFFAOYSA-N 333.460 4.466 0 40 EIAB O=C(NCCc1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254759 RCVPWPBMRMYCPD-UHFFFAOYSA-N 341.414 4.202 0 40 EIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1C 225897650 UDKNQZJSOKXEND-IBGZPJMESA-N 336.476 4.493 0 40 EIAB CCCc1nc(Nc2ccc(OCC)cc2)c2c(n1)c(C)nn2CC 226688335 CYOAZTMATANUJD-UHFFFAOYSA-N 339.443 4.249 0 40 EIAB O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccccc1-c1ccccc1 247428524 TZNNMVQSRRNHMJ-ILRDRHFLSA-N 335.403 4.039 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C3CCN(CC(C)C)CC3)n2)n1 257242692 IDSKAPBYSQUYFL-UHFFFAOYSA-N 339.487 4.067 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCc2sc(Cl)cc2C1 565775871 AQKWCNLOHRHHKC-UHFFFAOYSA-N 346.761 4.014 0 40 EIAB CC(C)(C)c1cnc(NC(=O)N2CCOC[C@H]2c2ccccc2)s1 608333562 GRGLYEWVKYVJDK-AWEZNQCLSA-N 345.468 4.046 0 40 EIAB Fc1ccc(CN2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 1889263473 ZHSYNRBWDYNRHN-CQSZACIVSA-N 343.427 4.317 0 40 EIAB O=Cc1cc(C=O)cc(-c2ccc(-c3cc(C=O)cc(C=O)c3)cc2)c1 1911936404 NGXJSBPRIWFZJI-UHFFFAOYSA-N 342.350 4.271 0 40 EIAB Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)c1 101472 FIGAUOJAOQCJKR-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1nccs1 416787 IHDDRRXJVZFLKA-UHFFFAOYSA-N 343.477 4.293 0 40 EIAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1 802735 IHDPGXBFEUZCIQ-LBPRGKRZSA-N 339.778 4.316 0 40 EIAB C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 1473417 KFETYTDHVXYSQF-IUODEOHRSA-N 340.250 4.084 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COc2cnc3ccccc3n2)cc1 2618861 PSQJMXDEVAEKKS-AWEZNQCLSA-N 335.407 4.161 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3192564 UNOWQKWJNMNLLI-UHFFFAOYSA-N 346.434 4.232 0 40 EIAB Cc1sc2ncnc(NC[C@H](c3ccco3)N3CCCC3)c2c1C 3349301 QWYQBXMPVKVMCU-CQSZACIVSA-N 342.468 4.150 0 40 EIAB C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C 5519433 QFUXQRHAJWXPGP-BINDOVRGSA-N 340.375 4.229 0 40 EIAB biogenic,in-vitro Clc1ccccc1C1=Nn2c(nnc2C2CCCCC2)SC1 5519803 DZWBEKHCHBEYBF-UHFFFAOYSA-N 332.860 4.337 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 5557353 ODTFHCPOZMDZCO-UHFFFAOYSA-N 337.385 4.333 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 5610702 SCEUDAPUWQEJBF-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB COc1ccccc1/C=C1/N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 6407703 YOBUHVAQIHCXDS-RQZCQDPDSA-N 337.419 4.208 0 40 EIAB O=C(CSc1cccc2cccc(Cl)c12)NN1CCCCC1 6650128 UOXNKBNQSIFWCB-UHFFFAOYSA-N 334.872 4.102 0 40 EIAB O=C(Nc1ccccc1)c1ccc(COc2ccc3c(c2)OCO3)cc1 7262735 VNXZYMYWLNDDEU-UHFFFAOYSA-N 347.370 4.247 0 40 EIAB CC(C)(C)c1cc(NC(=O)c2cc(Cl)nc3ccccc23)on1 8345713 IJWGXLWUBHDIRV-UHFFFAOYSA-N 329.787 4.426 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 8558204 IZVKDQSETQZKBE-ZWKOTPCHSA-N 325.452 4.208 0 40 EIAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 11914507 ZQIXELPTGIDHSP-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CC(C)CCSc1nc2ccccc2n1CC(=O)NC(C)(C)C 12520075 RMGTVDHXKHBLRF-UHFFFAOYSA-N 333.501 4.089 0 40 EIAB CSc1cccc(NC(=O)CN(Cc2ccccc2F)C2CC2)c1 12756226 IPMFUXDUSYXNNP-UHFFFAOYSA-N 344.455 4.151 0 40 EIAB CCc1cccc2c(C(=O)CN3CCC[C@H]3c3cccn3C)c[nH]c12 12795257 VZWUMMUTIDTFQE-IBGZPJMESA-N 335.451 4.089 0 40 EIAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 12978865 PNJWSJWZRKNOAN-HNNXBMFYSA-N 347.414 4.299 0 40 EIAB Cc1ccccc1CS(=O)(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13646780 WPVQVJGQYXKKFN-INIZCTEOSA-N 345.508 4.473 0 40 EIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)cc1 13749825 FDXVIDGVUDKWSL-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB O=C1C[C@@H](c2cccs2)c2sc(Nc3ccccc3)nc2N1 15110024 MAQGPGAVSSQBAS-NSHDSACASA-N 327.434 4.422 0 40 EIAB O[C@@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccco1 17378403 MZNWMCBGOMQURI-AOMIVXANSA-N 339.479 4.222 0 40 EIAB CCC(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)n2)CC1 19691639 DROWCJSGHJCBGE-UHFFFAOYSA-N 336.479 4.405 0 40 EIAB Cc1nc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc1C 21359754 NANNPHXHIDXJTN-VOTSOKGWSA-N 326.343 4.431 0 40 EIAB COc1ccc(F)cc1CSc1nnc2sc3ccccc3n12 24286208 HHJSGIFCLAAOJJ-UHFFFAOYSA-N 345.424 4.384 0 40 EIAB CC(=O)c1c(C)cc(C)c(CNc2ccccc2C(=O)N(C)C)c1C 25744436 FXZJPEOWDPLMHF-UHFFFAOYSA-N 338.451 4.128 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1nonc1-c1ccc(Cl)cc1 27663708 FVJWVGMTAGGBSL-UHFFFAOYSA-N 348.189 4.225 0 40 EIAB CC(C)[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccs1 29097678 ALXZAWPRMBZWDZ-LJQANCHMSA-N 341.480 4.461 0 40 EIAB CN(CC(=O)Nc1cccc2ccccc12)[C@@H]1CCc2ccccc21 29482598 MNKBVOOJNXDRPS-OAQYLSRUSA-N 330.431 4.398 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1F 32062949 ATDNJPLTXRZZOY-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB O=C(NCCCOCC1CC1)c1ccccc1Nc1ccc(F)cc1 32751594 JPGGSZQHDTUURE-UHFFFAOYSA-N 342.414 4.116 0 40 EIAB Cc1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)Nc2cccc(C)c2C)c1C 32809583 OTNHIRPXZZABFS-IRXDYDNUSA-N 336.435 4.134 0 40 EIAB C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(F)c(F)c1 36391257 HRDXOMCQFLALGC-AWEZNQCLSA-N 340.373 4.175 0 40 EIAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1OCC 36699805 SKUXVTSOPOCSIG-UHFFFAOYSA-N 331.437 4.458 0 40 EIAB COc1cc(NC(=O)N[C@H](C)c2ccccc2)c(OC)cc1Cl 40103675 JMJZGCGZLGODHE-LLVKDONJSA-N 334.803 4.240 0 40 EIAB Cc1nc(CCNc2nc(-c3ccncc3)nc3ccccc23)cs1 42633681 YXQURMROCZOMDC-UHFFFAOYSA-N 347.447 4.111 0 40 EIAB Brc1ccc(OC[C@@H]2CCNC2)c(-c2ccccc2)c1 42770695 YGMQODUKWVNZRQ-CYBMUJFWSA-N 332.241 4.104 0 40 EIAB O=C(c1ccc(C2OCCO2)s1)c1cccc(Cl)c1Cl 43210437 NFIKYALXWXXBAB-UHFFFAOYSA-N 329.204 4.331 0 40 EIAB CN1C/C(=C/c2ccc(F)cc2)c2nc3ccccc3c(C(=O)O)c2C1 48417769 IHHSOSAMRDXRNS-UVTDQMKNSA-N 348.377 4.058 0 40 EIAB CC[C@H](NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)c1cccs1 57243501 FPUFRAGFUGONBD-LRDDRELGSA-N 345.468 4.218 0 40 EIAB COc1ccc(Cc2nnc(SCc3cccc(C)c3)o2)cc1 57805886 NNQJYQKTGFHAKL-UHFFFAOYSA-N 326.421 4.270 0 40 EIAB CC[C@H](NC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCCO2 64986941 WWZBBOXUOXVBEK-KRWDZBQOSA-N 325.408 4.037 0 40 EIAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1ccc(Cl)cc1Cl 71279092 JRSCTHFGVUTRIU-SSDOTTSWSA-N 343.191 4.272 0 40 EIAB CC(C)(C)[C@@H](O)CCNC(=O)c1sc2ccccc2c1Cl 72242740 CHZDRMRFELPGEX-LBPRGKRZSA-N 325.861 4.082 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1cc(F)ccc1Cl 72331794 MGKBIZHTKLFCLQ-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB CCOc1ccccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72366752 DYDNAWUCSGPAMS-LJQANCHMSA-N 348.450 4.003 0 40 EIAB CCCOc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 78579516 ULAGPAODQVZQSE-UHFFFAOYSA-N 327.424 4.193 0 40 EIAB CC(C)(C)CC(=O)OCc1nc(N)c2c3c(sc2n1)CCCCC3 84169640 LLVYGXFOUUQAOT-UHFFFAOYSA-N 347.484 4.022 0 40 EIAB Fc1ccc([C@@H](NCc2nccn2Cc2ccccc2)C2CC2)cc1 89841128 MRIXEXUBXFYROR-NRFANRHFSA-N 335.426 4.311 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)C1(C)C 95392981 CLKANWMSKSSLCR-WMZOPIPTSA-N 328.431 4.204 0 40 EIAB Fc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)c1ccccn1)CCO2 95419305 FDZWKGNCVPKWNJ-RXVVDRJESA-N 334.394 4.424 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2ccccc2S(C)(=O)=O)cc1C 95960215 PDIJEORPMWZKPD-CQSZACIVSA-N 348.489 4.070 0 40 EIAB Cc1nc(C[S@](=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)oc1C 97083626 JWGYHGXDZOPSCD-QVQLBTGDSA-N 347.358 4.200 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O 100574710 WXQSSBHWKHCUSN-DJJJIMSYSA-N 340.448 4.126 0 40 EIAB Cc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 170583867 BAXFDKNTHAAHMJ-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NC1CCCCC1 225827110 XFTUCMDLIATDMS-UHFFFAOYSA-N 349.434 4.271 0 40 EIAB CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3nccs3)c2)CC1 257343043 ZRFVCQLMUOQANE-UHFFFAOYSA-N 345.468 4.320 0 40 EIAB COc1ccc(OC(=O)NC(=S)c2cccc3ccccc23)cc1 408730446 GJVZKAIVLLLVET-UHFFFAOYSA-N 337.400 4.313 0 40 EIAB Nn1c(SCc2ccc3ccccc3c2)nnc1-c1ccccc1 409105446 JPCKSMFQDVILCT-UHFFFAOYSA-N 332.432 4.104 0 40 EIAB CC(C)n1c(NC(=O)[C@@H]2CCOc3ccccc32)nc2ccccc21 618855181 FHPRHOONYCYTIX-OAHLLOKOSA-N 335.407 4.122 0 40 EIAB Cc1cc(F)c(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 952885637 FHXOUWVEEDHRKS-LSDHHAIUSA-N 340.826 4.257 0 40 EIAB Cc1ccccc1C1=N/C(=C/c2ccccc2Br)C(=O)O1 55344 MPMGNWRMMBQNNP-XNTDXEJSSA-N 342.192 4.102 0 40 EIAB CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 73486 HCISHPHTOFXQAS-UHFFFAOYSA-N 339.174 4.389 0 40 EIAB C[C@@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc3ccccc23)CC1 300533 XCNCPQPAEDAPFL-DYESRHJHSA-N 336.479 4.176 0 40 EIAB c1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 527203 BAZFCPXCOKWCBQ-UHFFFAOYSA-N 342.427 4.456 0 40 EIAB CSc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 756725 CYEYOWTUWPIHFA-UHFFFAOYSA-N 333.420 4.281 0 40 EIAB O=C1[C@H]2Nc3ccccc3N=C2O[C@H]1c1ccc(Cl)c(Cl)c1 1588559 XQHPFUBUOSOHLZ-HIFRSBDPSA-N 333.174 4.158 0 40 EIAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OC)c(OC)c1 1986102 NLCGVRMBJLDONE-ACCUITESSA-N 339.435 4.481 0 40 EIAB O=C(CCCSc1nc2ccccc2s1)NCc1ccccc1 2623175 UQMOYEKSBPNIIG-UHFFFAOYSA-N 342.489 4.485 0 40 EIAB O=C(OCc1ccccc1F)c1ccccc1C(=O)c1ccccc1 3504606 NNFVPKMVCFHRSX-UHFFFAOYSA-N 334.346 4.414 0 40 EIAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 4356430 FIMTWYIWZTXABA-UHFFFAOYSA-N 330.409 4.319 0 40 EIAB NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 4427967 DOVIBCPHDNLZGU-QOTSGZDISA-N 331.419 4.362 0 40 EIAB COc1ccc(/C=C/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 4704747 NRQCIWSDJNWYOU-ZUZMZGHOSA-N 337.400 4.492 0 40 EIAB O=c1cc(-c2ccccc2)o/c(=N\c2ccccc2)n1-c1ccccc1 5604466 CUSQHFSBRKEVEH-FCQUAONHSA-N 340.382 4.330 0 40 EIAB COc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1 5681947 YTAQHHWGQVSWOF-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB Cc1c(Cl)cccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 5881704 BNCYPMGBVRGOHM-UHFFFAOYSA-N 340.810 4.363 0 40 EIAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc2ccccc2c1 6496710 IHKTXTSBKFSMSB-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 7402178 VTHMGVQDOOYRAN-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Cc1cc(NC(=O)c2cccnc2Cl)ccc1Br 8051385 AYSNTLLPRLEKIV-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CCCCCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 8101943 YQUSDZJJJWOAMJ-UHFFFAOYSA-N 340.423 4.466 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2)o1 9385117 YJDVYXCZLBJYCG-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@H](C)O3)c1C 10298928 CMJHHDKITLQYDQ-DZBQEORWSA-N 332.403 4.173 0 40 EIAB CCOc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)cc1C 11466853 ZPTPIBAGFMFHGR-UHFFFAOYSA-N 344.436 4.056 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1cc(F)ccc1Br 11750441 VUPYLRKACFYEIO-UHFFFAOYSA-N 348.215 4.050 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(F)cc1 12560201 XNPNYTOXIYHMNH-UHFFFAOYSA-N 349.287 4.283 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 12755600 ABAFGWFXJDIPQU-LBPRGKRZSA-N 335.407 4.208 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2)n1 13625373 BCTJTTBJVFEZNF-UHFFFAOYSA-N 328.224 4.148 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(C(C)(C)C)cc1 13668086 JZEOQYRXRWDQSR-CQSZACIVSA-N 349.471 4.304 0 40 EIAB COc1cccc(-c2nc(C)c(C(=O)Nc3ncc(C)s3)s2)c1 13690089 RTFBDDUTIYTWEE-UHFFFAOYSA-N 345.449 4.144 0 40 EIAB O=C(Nc1ccccc1SC(F)F)c1ccc2c(c1)OCCO2 14603399 LRVCABMHSBISDI-UHFFFAOYSA-N 337.347 4.025 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 15539878 CKWHVCRSKLIIJU-INIZCTEOSA-N 340.423 4.342 0 40 EIAB Cc1ccc(CSc2nc(=O)n(-c3ccccc3)c3c2CCC3)cc1 15840395 VDXSPYBVDIKDOB-UHFFFAOYSA-N 348.471 4.322 0 40 EIAB Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 19736360 CUNVJMDHZKRWQF-SNVBAGLBSA-N 339.222 4.290 0 40 EIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1 21580509 VGVXHEQBZRQLPZ-UHFFFAOYSA-N 333.347 4.084 0 40 EIAB O=C1O[C@@](c2nc3ccccc3s2)(C(F)(F)F)Cc2ccccc21 24927248 XZPBYLQNTCBVKC-INIZCTEOSA-N 349.333 4.467 0 40 EIAB O=C(NC1CCCCCC1)C1(c2ccc(Br)cc2)CC1 24988942 NSHNWOWVOWWUFS-UHFFFAOYSA-N 336.273 4.320 0 40 EIAB O=C(Nc1ccc(OC(F)F)cc1)c1cc2ccccc2cc1O 26982176 RXBNAFSPVKDDJI-UHFFFAOYSA-N 329.302 4.399 0 40 EIAB CCCCCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 27822590 ONIQRRDQRFCWGG-UHFFFAOYSA-N 345.892 4.084 0 40 EIAB CCOC(=O)c1cc(NC(=O)Cc2cc(C)ccc2C)ccc1Cl 30758445 IFZHLFBYWRCFNW-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB COc1ccc(N(Cc2ccc(F)cc2)c2snnc2C)cc1 32611845 OSFTUUHQBCBDAB-UHFFFAOYSA-N 329.400 4.333 0 40 EIAB O=C(NC[C@H](O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 32779491 MFGUWBYPDHDEBA-SFHVURJKSA-N 340.810 4.348 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 33126119 SFBIJNLOMYOMHO-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)[C@H](C)c1ccccc1 35142183 ZZMZJZDPUQHIJM-IUODEOHRSA-N 345.826 4.482 0 40 EIAB Cc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1C 36392749 NQSGPJROPXPDPH-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB COc1ccc([C@H]2CCCCCN2C[C@H](O)c2ccccc2)cc1 36448988 CNUZOMJKZZDSHE-RTWAWAEBSA-N 325.452 4.346 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1cccs1 36688782 SBJRKPCTVQQJGW-NSHDSACASA-N 326.343 4.139 0 40 EIAB COc1ccc2cc(CNC(=O)N(C3CC3)[C@H](C)C3CC3)ccc2c1 40150051 WSFLLPNTAYDIQT-CQSZACIVSA-N 338.451 4.321 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c(Cl)c1 40152644 XGMZRJLJMUBRDZ-UHFFFAOYSA-N 348.811 4.104 0 40 EIAB Cc1nccn1-c1ccc(CNCc2c(Cl)cccc2Cl)cn1 48782304 KJMWIGKOMBVWLS-UHFFFAOYSA-N 347.249 4.172 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 56444497 JIFHHBKUHOEPNW-GJZGRUSLSA-N 339.439 4.075 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)s3)CC2)cc1 58192491 CVDCZMPAEZWMDG-UHFFFAOYSA-N 327.449 4.100 0 40 EIAB O=C(NCc1ccccc1-n1cccn1)c1occc1-c1ccccc1 58433092 FODDGALOEQMNPA-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB CC(=O)Nc1ccc(C)cc1OCc1nc(-c2ccco2)oc1C 69623684 UMKFALCWIDXQEB-UHFFFAOYSA-N 326.352 4.089 0 40 EIAB Cc1cc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)no1 70013315 PSAJNQYWEDJSQI-UHFFFAOYSA-N 338.411 4.027 0 40 EIAB Cc1ccc(C(=O)c2cnc3cc4c(cc3c2Cl)OCO4)cc1 71775364 JKBITDCYACBTTP-UHFFFAOYSA-N 325.751 4.156 0 40 EIAB Cc1cc(CS(=O)(=O)[C@H](C)c2ccc(F)cc2)c2ccccc2n1 71913645 KPYLHFPLZICWGM-CQSZACIVSA-N 343.423 4.358 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C 72215202 DSBYWWZDGQDTFM-GOEBONIOSA-N 333.476 4.388 0 40 EIAB Cc1cc([C@H](O)c2ccccc2)cnc1N1CCc2ccccc2C1 72222849 JYQCHCRFVWCCMA-OAQYLSRUSA-N 330.431 4.034 0 40 EIAB CCCOc1ccc(C(=O)Nc2cccc(Cl)n2)cc1OCC 72307884 FHTSXOGEMXOEOO-UHFFFAOYSA-N 334.803 4.175 0 40 EIAB Cc1ccc2nc(-c3ccc(I)cc3)[nH]c2c1 73638949 KZLSCEJXGLILFX-UHFFFAOYSA-N 334.160 4.143 0 40 EIAB Cc1noc(C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 75145988 JXLCJKKGMDRTTQ-LBPRGKRZSA-N 347.724 4.370 0 40 EIAB Cc1cc(C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)o1 75155376 DSJYWJDJNXJXIU-QFIPXVFZSA-N 349.430 4.201 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 77269803 BMVMDJLEAWSOBJ-AMQGKWNKSA-N 330.468 4.162 0 40 EIAB in-vitro Cc1cccc(CNC(=O)CNc2ccc(C)c(C(F)(F)F)c2)c1 78640178 OSHPNPYIMSKNDA-UHFFFAOYSA-N 336.357 4.051 0 40 EIAB CCc1c(C(=O)N[C@H](C)c2ccc(C)c(F)c2)[nH]c(C)c1C(C)=O 88253135 IXGYKVVLMPPECP-LLVKDONJSA-N 330.403 4.027 0 40 EIAB Cc1ccsc1[C@H](C)N[C@H](c1ccc(F)cc1)c1nccn1C 95419870 UQPFMVJBRHQYJZ-XJKSGUPXSA-N 329.444 4.369 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NCCc2cccc3cccnc23)c1 95419927 HDUZUDZJTWYNQM-HNNXBMFYSA-N 333.435 4.087 0 40 EIAB COc1cc([C@H](C)NCc2cscn2)ccc1SC(F)F 95421393 HNPXFACTXZONPP-VIFPVBQESA-N 330.425 4.317 0 40 EIAB CO[C@](C)(CNC(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 96392418 HBBZORWYWUSSHV-OAHLLOKOSA-N 344.263 4.347 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 103479329 IPYLRZNOWBRKOU-CYDGBPFRSA-N 337.261 4.395 0 40 EIAB COc1ccc2c(CC(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)coc2c1 195532231 CXHLUZYNQNTTFT-YMTYPPQLSA-N 341.451 4.315 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc(C)c1 224622122 OZTBXKJOIAJFNB-SFHVURJKSA-N 347.842 4.001 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2ccccc21 225207708 BHGCDCHLARPUQM-OAQYLSRUSA-N 335.447 4.312 0 40 EIAB Cc1ccc(CC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c(C)c1 225542056 MTMINECQRUMSSC-SFHVURJKSA-N 325.452 4.046 0 40 EIAB O=C(Nc1ccccc1-c1cccs1)C1CCN(C2CC2)CC1 225588372 VVIUSPRFHYQGMM-UHFFFAOYSA-N 326.465 4.228 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2Cl)cc1 225639572 SIVWGDLVJJEIHP-CYBMUJFWSA-N 334.872 4.402 0 40 EIAB c1ccc(-c2nnc(Sc3ccccn3)n2-c2ccccc2)cc1 409108652 XYYMVGGVMXKZEK-UHFFFAOYSA-N 330.416 4.481 0 40 EIAB C[C@H](NC(=O)c1cnn2ccccc12)c1ccc(F)c2ccccc12 573398550 ANPQAEHDQWDFPL-ZDUSSCGKSA-N 333.366 4.118 0 40 EIAB Cn1cc(CSCc2nc3cc(C(F)(F)F)ccc3o2)cn1 593437482 SCGLSHHMCHXEIQ-UHFFFAOYSA-N 327.331 4.014 0 40 EIAB O=C(Nc1ccccc1)N(CC1CC1)C[C@H]1CCCN2CCCC[C@@H]12 1565520632 ZHHYLICSOMEKNA-QUCCMNQESA-N 341.499 4.195 0 40 EIAB biogenic COc1ccc(C)c2sc(N3CC[C@H](c4ccccn4)C3)nc12 2298086662 KZXBEUUNKHFFJQ-ZDUSSCGKSA-N 325.437 4.002 0 40 EIAB Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2)o1 109310 DPELXVZRYYSDJE-UHFFFAOYSA-N 334.404 4.281 0 40 EIAB c1ccc(-n2c(SCc3ccccn3)nnc2-c2cccnc2)cc1 553385 WKZGMGGVZQRCPX-UHFFFAOYSA-N 345.431 4.017 0 40 EIAB CN(c1ccccc1)c1nc(Cl)nc(N(C)c2ccccc2)n1 1657285 DRVSERATTQVSNK-UHFFFAOYSA-N 325.803 4.061 0 40 EIAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(C)c1 2715827 BDSOLLZEZOLTJB-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB O=C(c1ccccc1)N1CCN=C1SCc1cccc(Cl)c1 4120599 LQMQTDRYDMSQNK-UHFFFAOYSA-N 330.840 4.085 0 40 EIAB O=C(CSc1nncc2ccccc12)Nc1ccc(Cl)cc1 4487291 XWWWIHVWTHZSIA-UHFFFAOYSA-N 329.812 4.014 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(Br)c1 5176812 AKZFRBCOFKVCHD-CQSZACIVSA-N 348.265 4.416 0 40 EIAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccco3)nc12 5264810 DJNOQRIKBSCEEF-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB COc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC(F)F 5560230 GLFVXPNUIKWNGD-UHFFFAOYSA-N 339.363 4.271 0 40 EIAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 5788605 JTFAPYUEBOLXAA-FFZBTMFNSA-N 333.516 4.176 0 40 EIAB Cc1nc2ccc(NC(=O)CCCOc3ccccc3)cc2s1 6790395 XTLNZHUJPQCJKD-UHFFFAOYSA-N 326.421 4.402 0 40 EIAB COc1cc(NC(=O)Cc2ccc3c(c2)CCC3)c(OC)cc1Cl 6881583 AKGXKRPMXTZUQE-UHFFFAOYSA-N 345.826 4.027 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(Cl)ccc1F 7437325 ZUYXZWVZMSOYTN-UHFFFAOYSA-N 346.833 4.005 0 40 EIAB O=C(CCc1ccco1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8039775 FPTFMDGRPMTOMU-CQSZACIVSA-N 340.448 4.228 0 40 EIAB CC(C)[C@H](NC(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 8707704 PCVQUDJXWSCHOB-INIZCTEOSA-N 326.375 4.221 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1cccs1 8863099 CYOLXAYUXXZTSO-HNNXBMFYSA-N 334.510 4.157 0 40 EIAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)c(C)c1 9374710 WBXKNYRFEXFUMX-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB Cc1nc(/C=C/C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cs1 10642322 UVHOCKUGLMVXPW-OFJGVDMMSA-N 330.497 4.186 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1cc(Cl)ccc1F 10997545 KBYRYZIHFFSLSI-UHFFFAOYSA-N 343.785 4.441 0 40 EIAB C[C@@H](CCN1CCC(c2n[nH]c3ncccc23)CC1)c1ccccc1 12143428 LNRWANQYXLGVOD-INIZCTEOSA-N 334.467 4.331 0 40 EIAB Cc1nc2cc(C(=O)NC3CCCCC3)ccc2n1-c1ccccc1 12550360 GTWWOQOSZPCGHL-UHFFFAOYSA-N 333.435 4.396 0 40 EIAB Cc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 12808172 MMHVCGRQWMNDCI-AWEZNQCLSA-N 339.464 4.236 0 40 EIAB Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1 13123398 MLKVGBZASWPPOU-RMKNXTFCSA-N 337.810 4.431 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1 14155049 ABUMUHLBHGWSAK-CQSZACIVSA-N 330.387 4.136 0 40 EIAB CC(C)c1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 14236008 PRJOOEPIUYHYOD-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)C1(c2ccccc2)CCOCC1 16985253 OAPCSDFSUFADGU-UHFFFAOYSA-N 349.352 4.392 0 40 EIAB Cc1nc(-c2ccc(NC(=O)Cc3sc(C)nc3C)cc2)cs1 19560541 BWJLOHIXAFJVFR-UHFFFAOYSA-N 343.477 4.373 0 40 EIAB CCN(C)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C2(CCCCC2)C1 19704826 ZUSTVTGXLJENDY-IBGZPJMESA-N 346.490 4.014 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 19932534 FZSLHQXHTAQPSO-UHFFFAOYSA-N 337.847 4.371 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 20481586 SKDRONFZCAGSAI-OAQYLSRUSA-N 333.431 4.356 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 20482621 QCCQOULPRROTDL-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccs1 22687713 DAVKHHDGGUJCDD-GFCCVEGCSA-N 343.279 4.088 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)c1 24510021 QQXCGDFKZPEXOV-UHFFFAOYSA-N 325.412 4.086 0 40 EIAB COc1ccc(OC)c(CN(C(=O)c2ccc(C)cc2C)C2CC2)c1 25804330 DHPLYNQAKRDUCN-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB O=C(NCc1ccccc1Cn1ccnc1)c1cccc2ccccc12 32855870 OUJGMYFMYUBQJE-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB Cc1noc2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12 32908276 UFYFUOPSFLPULG-UHFFFAOYSA-N 337.423 4.101 0 40 EIAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(F)c1 40121701 WWWLIVORFXEXIM-ABAIWWIYSA-N 328.815 4.196 0 40 EIAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 41125367 VWIKPSKQPQAHRH-UHFFFAOYSA-N 327.138 4.172 0 40 EIAB CN(CCc1ccc(F)cc1)C(=O)/C=C/c1cccc2cccnc12 56228218 KDNRROHHKGZFQK-FMIVXFBMSA-N 334.394 4.088 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccccc2)CC1 58160543 DVOWUGHVNPBJCX-UHFFFAOYSA-N 330.431 4.448 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 58195260 MMHVDLGECVANQP-VXGBXAGGSA-N 332.787 4.024 0 40 EIAB COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccccc2Cl)cc1 58563830 ZTTLUDKOIBEDKQ-RTBURBONSA-N 331.843 4.219 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccc(OC)c(OC(C)C)c1)CC(O)=N2 61719791 JQIIFTNMECHMQD-NSHDSACASA-N 347.440 4.104 0 40 EIAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCCCCC2)c1 71909600 CRZJYGCVWFKRAL-QHCPKHFHSA-N 336.501 4.142 0 40 EIAB COc1ccccc1-c1cc(-c2c(F)cccc2Cl)nc(N)n1 71978132 ZFMWQJBAZYDBRE-UHFFFAOYSA-N 329.762 4.194 0 40 EIAB CC(C)c1ccc(CCC(=O)NCc2cc(Br)c[nH]2)cc1 72311598 AKGHVBISUZGWKE-UHFFFAOYSA-N 349.272 4.150 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1-c1cccc(Cl)c1 72328888 UDZFLRPBHJFNHB-QGZVFWFLSA-N 337.810 4.147 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 72380332 URURUXXEBBJKOB-GOSISDBHSA-N 341.430 4.460 0 40 EIAB O=C(O)c1ccc2nc(-c3ccc(Br)cc3)sc2c1 73740456 ZRDVARJUPRVESC-UHFFFAOYSA-N 334.194 4.424 0 40 EIAB Fc1cc2c(c(CN3CC[C@H]3c3ccc(Cl)cc3)c1)OCOC2 81605270 INBLKTWFBBIUSD-KRWDZBQOSA-N 333.790 4.293 0 40 EIAB CC[C@@H](C)n1ncc(C(=O)OCc2ccc(Cl)nc2)c1C1CC1 89811481 PSBWWGWBCNJLKK-LLVKDONJSA-N 333.819 4.137 0 40 EIAB O=[S@](Cc1csc(COc2ccc(Cl)cc2)n1)CC1CC1 95419047 FBUVNWKDSLKUDZ-OAQYLSRUSA-N 341.885 4.034 0 40 EIAB CC(C)n1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 95474154 ZGHNSOBBCSFJPA-NRFANRHFSA-N 348.446 4.436 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccc1F 96222981 UWSVVCJRMLZDLM-GOSISDBHSA-N 338.382 4.123 0 40 EIAB CCNCc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl 97019500 IZYPKQHFFXZDLQ-UHFFFAOYSA-N 341.213 4.494 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C 223433476 XXLOHBNOYYKRND-UHFFFAOYSA-N 327.858 4.171 0 40 EIAB Cc1ccc(OCC(=O)NCCOc2ccc3ccccc3c2)cc1C 223609706 YBKGQVRMLFLXGK-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1cc(C)cc(C)c1 224096962 UNFBFMCZJQYOEO-UHFFFAOYSA-N 329.465 4.224 0 40 EIAB C[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 224260327 AKFUPKLYNYRMCF-INIZCTEOSA-N 325.452 4.283 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(COC)c1 224453290 ZIVTWHFGNVKQEZ-LJQANCHMSA-N 327.424 4.246 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)c(C)c2)c(C)c1 225166394 CZOYWRYBQMGDHA-UHFFFAOYSA-N 339.435 4.360 0 40 EIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225603929 OONIILILAKOWAL-HXUWFJFHSA-N 327.424 4.328 0 40 EIAB Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1 226266524 WABLKGMNACZJGJ-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB CC(C)c1ccc2oc(-c3cc(Br)c[n+](C)c3)nc2c1 226774843 VLFHFKYKUZUKNB-UHFFFAOYSA-N 332.221 4.205 0 40 EIAB CC(C)c1ccc(CCC(=O)c2ccc(N3CCOCC3)cc2)cc1 228926323 CNZYLOLDLDGLIJ-UHFFFAOYSA-N 337.463 4.462 0 40 EIAB Cc1cc(Nc2nccs2)cc([C@@H]2CCCN(CC(C)C)C2)n1 257257005 KNRJJRMCNYBQEG-OAHLLOKOSA-N 330.501 4.426 0 40 EIAB O=C1CCCN1Cc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 511447637 YYODESMWNCUZHE-UHFFFAOYSA-N 344.418 4.010 0 40 EIAB Cc1cc2sc(NC(=O)N3CCCc4occc4C3)nc2cc1F 585083927 IAXBBLKRLPPOHM-UHFFFAOYSA-N 345.399 4.317 0 40 EIAB O=C(Nc1nnc(CSCc2ccccc2)s1)c1cccs1 52109 USIXONVLLGBTLS-UHFFFAOYSA-N 347.490 4.285 0 40 EIAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1 387927 CPLBEUOYJJLBDM-UHFFFAOYSA-N 333.347 4.457 0 40 EIAB COc1ccc(Cl)cc1-n1nnnc1-c1ccc(C(C)(C)C)cc1 411266 VAXNFMNQFJYWBE-UHFFFAOYSA-N 342.830 4.289 0 40 EIAB CCN(CC)C(=O)C[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1 520581 KAOXPSMRKDCCFS-PZJWPPBQSA-N 347.499 4.027 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)CCC3)cc1 2629736 BTURDHNYDGTYGE-UHFFFAOYSA-N 337.419 4.176 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCCC1 3207162 YWYIJPAYNZMWDV-CXAGYDPISA-N 347.459 4.234 0 40 EIAB Cc1ccc(C(=O)Nc2nc(COc3ccccc3)cs2)s1 3215850 DOVZULKVXUXJFB-UHFFFAOYSA-N 330.434 4.344 0 40 EIAB COc1ccccc1C(=O)COC(=O)c1cc(Cl)ccc1Cl 3239703 OJRIAXRGOWDBJF-UHFFFAOYSA-N 339.174 4.042 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1 3907769 SVTHTSHUNWSKNN-XOBRGWDASA-N 340.423 4.088 0 40 EIAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1 4393789 JPUSHEKTPNKYBC-ZDUSSCGKSA-N 339.366 4.054 0 40 EIAB O=C(/C=C/c1cccc(F)c1)OCC(=O)C12CC3CC(CC(C3)C1)C2 5704172 IXCBRRZDRNLYMO-SNAWJCMRSA-N 342.410 4.168 0 40 EIAB O=C(CSc1nccc2ccccc12)N1CCCc2ccccc21 6393541 ZSYWGQRADMCUAS-UHFFFAOYSA-N 334.444 4.306 0 40 EIAB O=C(Nc1ccc(Br)cc1)N1CCc2ccccc2C1 6885860 VSTOLJCURCIUQL-UHFFFAOYSA-N 331.213 4.039 0 40 EIAB COc1cc(NC(=O)CCc2ccccc2F)c(OC)cc1Cl 8305485 JFNQMCKJEFXFFJ-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB CCOC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccco3)c12 8345990 UONVSRHNGQZWBQ-UHFFFAOYSA-N 334.331 4.327 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCSc1ccccc1 8361032 XPYXFUITJADQOL-UHFFFAOYSA-N 337.444 4.371 0 40 EIAB CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1 8606891 XXBLHIXPLHMJBL-UHFFFAOYSA-N 340.467 4.236 0 40 EIAB COc1ccc(OC)c2c(O)c(CN(C)C3CCCCC3)c(C)nc12 8717348 HPFDLWLJJGZEJH-UHFFFAOYSA-N 344.455 4.031 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 9062993 XJFLBOLBDJXGMA-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB CCOc1c(C(C)=O)c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n12 9359995 UCDHFPUWDLWWME-UHFFFAOYSA-N 346.386 4.049 0 40 EIAB COC(=O)CCSc1nnc(Nc2ccc(C(C)C)cc2)s1 10037719 BGVZJBRQPKXAIF-UHFFFAOYSA-N 337.470 4.060 0 40 EIAB O=Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1 11947880 INGOTYXKLLRKCB-UHFFFAOYSA-N 325.589 4.494 0 40 EIAB Cc1occc1-c1nc(NCc2ccco2)ncc1-c1ccccn1 12222866 UWPYXAAZMXSDKW-UHFFFAOYSA-N 332.363 4.312 0 40 EIAB CCc1ccc(CC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1 12515137 BCQHPURKQFQPJV-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB COc1ccc(NC(=O)CSc2ccccc2)cc1OC(F)F 12751512 ABKDDSOCXKOWLT-UHFFFAOYSA-N 339.363 4.027 0 40 EIAB Cc1ccccc1Nc1nc(NCc2ccccc2)nc2c1cnn2C 17136032 YNVVVGLRZPUXCY-UHFFFAOYSA-N 344.422 4.027 0 40 EIAB Fc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(F)c1 19346913 NOVHKYBVAYAPJJ-HNNXBMFYSA-N 327.378 4.221 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1C 19736715 JLTPMIAKJUHDCJ-UKRRQHHQSA-N 326.440 4.497 0 40 EIAB CCSc1ccccc1NS(=O)(=O)c1ccc(SC)cc1 20041049 STRCTYJCFLTFAG-UHFFFAOYSA-N 339.507 4.321 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(Cl)cc1 20493448 ISEWEOQCCGTAEU-KRWDZBQOSA-N 331.843 4.431 0 40 EIAB CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC 20790229 LWIDHMCFFRTMMB-LJQANCHMSA-N 325.452 4.440 0 40 EIAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)c1ccc(F)cc1 21280232 LPJKUPZKXPSFKC-CYBMUJFWSA-N 327.428 4.398 0 40 EIAB CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 22628076 OPHXDWZVTMETCV-UHFFFAOYSA-N 333.370 4.261 0 40 EIAB Cc1ccccc1NCCC(=O)Nc1cccc(OC(F)(F)F)c1 24469457 AFURIBRDAYOTRS-UHFFFAOYSA-N 338.329 4.334 0 40 EIAB COc1c(N)cc(-c2nc3cc(C)cc(C)c3o2)cc1Br 26509127 NOBRPXKUUZKGDF-UHFFFAOYSA-N 347.212 4.465 0 40 EIAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1cccc2ccccc12 29657323 DNYBOHAIZNMZDM-AWEZNQCLSA-N 335.451 4.000 0 40 EIAB CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2cc(Cl)ccc21 32607783 MAQRTVOTIGLJSM-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB CC[C@H](C(=O)N(CC)Cc1ccc2c(c1)OCCO2)c1ccccc1 32978471 PDOKFOFSPWBKFE-SFHVURJKSA-N 339.435 4.000 0 40 EIAB Cc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)c(C(C)(C)C)c1 35022938 JLKSJXCQCJQNRN-BZSNNMDCSA-N 333.516 4.295 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)CSc1cc(Cl)ccc1Cl 35127119 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Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1C(=O)c1ccccc1 72219227 GSXYYRNQCAEBBU-FQEVSTJZSA-N 349.478 4.358 0 40 EIAB Cc1nc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)sc1C 72405957 GZNHTNLGCTWNHL-UHFFFAOYSA-N 346.843 4.066 0 40 EIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)[nH]n1 84072959 SJTPASNURNTONY-UHFFFAOYSA-N 347.846 4.437 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cn1)c1cncn1-c1ccccc1 84562689 MGZHVWMXHCBAQW-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@H]1CCOC1 89910147 XNPOEYJMVYDXPL-KBPBESRZSA-N 346.452 4.141 0 40 EIAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccnnc1 90549673 QIJOPHIFHQJELI-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)c2cccc(F)c2n1 95444388 BSBUZVCTCMDIJD-UHFFFAOYSA-N 338.382 4.317 0 40 EIAB O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1ccncc1 95996764 QCVZSLMNKQAJBH-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB CO[C@@](C)(CNC(=O)Nc1ccccc1C)c1cccc(Cl)c1 96393232 QTHBJFIBYRMHMF-SFHVURJKSA-N 332.831 4.332 0 40 EIAB CSC[C@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 96417999 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CCCN(CCC)C[C@H](O)c1ccc2cc3c(nc2c1)CCCC3 1655477 ZZCDTEJMYPFQTG-NRFANRHFSA-N 326.484 4.269 0 40 EIAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1 2658080 SZNLIZUQPOQMCY-LLVKDONJSA-N 349.839 4.231 0 40 EIAB COc1ccccc1OCCC(=O)Nc1ccc(C(F)(F)F)cc1 3445931 DTIMIIJXFSUASO-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB NC(=O)c1oc2ccccc2c1NC(=O)c1cc(Cl)cc(Cl)c1 4135039 IICQKBVWQHTZAL-UHFFFAOYSA-N 349.173 4.091 0 40 EIAB Clc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCCC2)cc1 4230570 VLOCKYJSSQCOMV-KRWDZBQOSA-N 345.878 4.017 0 40 EIAB CC(=O)[C@@H]1[C@@H](C#N)C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 5260824 VSBHRRMYCDQLJF-BYYAVVGHSA-N 341.495 4.265 0 40 EIAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c3c(ccc12)OCO3 6530215 FESBBVCLISVSDR-UHFFFAOYSA-N 334.249 4.208 0 40 EIAB Cc1ccccc1NC(=S)N[C@H](C)c1ccc(-n2ccnc2)cc1 6653444 QQSMKMDWBPHHSS-OAHLLOKOSA-N 336.464 4.228 0 40 EIAB Cc1cc(OCC(=O)Nc2nc3c(s2)CCCC3)ccc1Cl 6903791 CMUVVZQWAZPJEV-UHFFFAOYSA-N 336.844 4.001 0 40 EIAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 7811936 BNVNGPYGYNSMGN-HDICACEKSA-N 336.479 4.194 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 7922645 ASGWDSROTXPVNF-UHFFFAOYSA-N 349.386 4.277 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)CCc1ccccc1 8048845 BYGPINZQNXWYQO-FXAWDEMLSA-N 325.452 4.290 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCC1=CCCCC1 8230389 HTDHZGOWTXZVGI-UHFFFAOYSA-N 343.858 4.454 0 40 EIAB C[C@H]1Oc2c(C(=O)NCCc3c[nH]c4ccccc34)cccc2[C@H]1C 8275918 PEDBDRRKYBNSPG-UONOGXRCSA-N 334.419 4.025 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@H](C)O)c1 8714217 VRGAXDURPYISGQ-QWHCGFSZSA-N 333.815 4.108 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccs1 8863100 CYOLXAYUXXZTSO-OAHLLOKOSA-N 334.510 4.157 0 40 EIAB CSc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9012823 SMAWVGLAWFGHJC-HNNXBMFYSA-N 335.432 4.273 0 40 EIAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1 9204845 DQQXBWDUXXCRAF-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB CCOc1cc(C(=O)NCc2cccc3ccccc23)ccc1OC 10040038 HDTWBUKTZKLJIJ-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccc(Cl)c1 10081393 XDGQEFNYKZDLGB-JTQLQIEISA-N 348.855 4.241 0 40 EIAB CC[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Cl)cc1 10423895 ADZHSJRZZZVHNM-AWEZNQCLSA-N 347.871 4.478 0 40 EIAB CCCCC(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914066 ITYOQOVSQSSQJP-UHFFFAOYSA-N 340.246 4.096 0 40 EIAB COc1ccc2c(c1)s/c(=N/C(=O)c1cccc3ccccc13)n2C 12139809 IJEIKYUBDSRAKB-QZQOTICOSA-N 348.427 4.143 0 40 EIAB O=C(COc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1 12779242 IMANJZZGNNRNCA-UHFFFAOYSA-N 342.247 4.019 0 40 EIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C)c(F)c3)ccc2o1 12824854 JFYIJVNIPJZYAU-LLVKDONJSA-N 327.359 4.023 0 40 EIAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 13135681 XXPQYYCTEPHAKZ-QGZVFWFLSA-N 347.462 4.199 0 40 EIAB Clc1cccc2nc(-c3ccccn3)n(CCc3ccccn3)c12 13213010 SYZZQQDVMCLGKD-UHFFFAOYSA-N 334.810 4.389 0 40 EIAB Cc1ccc(CSCC(=O)NCCCc2cccc(C)c2)cc1 13674282 VWCWKSVCLPBYTK-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 13748298 OQBCRMMXJXMVLO-QWRGUYRKSA-N 329.466 4.182 0 40 EIAB COc1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 13779476 LMBLRAFWVVVTOT-UHFFFAOYSA-N 341.190 4.250 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cc1F 15517347 OQOBEIMXZRKESV-LJQANCHMSA-N 338.382 4.037 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 15796852 IHIYZBGARMACSM-SMDDNHRTSA-N 325.836 4.056 0 40 EIAB CC(C)N(Cc1ccccc1)C[C@@H](O)COc1cccc2ccccc12 17113369 DIJUYSHEKLLUFO-OAQYLSRUSA-N 349.474 4.490 0 40 EIAB Fc1ccc([C@@H]2C[C@H]3CN(Cc4cccs4)C[C@@]34CCCN24)cc1 19343374 KYELLYOWCJKDFN-VDGAXYAQSA-N 342.483 4.299 0 40 EIAB O=C1CCCN1c1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 19657877 GQMKTDLEJLZRQW-HXUWFJFHSA-N 338.426 4.290 0 40 EIAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 20160021 VPABCXQCAHGAHH-VMPITWQZSA-N 339.160 4.425 0 40 EIAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20489563 LSIZANIJWHXLCY-QHCPKHFHSA-N 345.442 4.452 0 40 EIAB CC[C@@H](C(=O)Nc1nc(CN2CCCCC2)cs1)c1ccccc1 21135236 WXQHMMVZUHCRTI-QGZVFWFLSA-N 343.496 4.261 0 40 EIAB O=C(NCCCc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1 21540794 XKSKLMJIVTXITG-UHFFFAOYSA-N 339.826 4.093 0 40 EIAB COc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 27222466 NTWGNJQSJZFTTJ-HXUWFJFHSA-N 347.462 4.107 0 40 EIAB O=C(Cc1cccs1)Nc1nc2ccccc2n1Cc1ccccc1 27923048 QDPCNPZPJQIBJK-UHFFFAOYSA-N 347.443 4.327 0 40 EIAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)c1ccc(Cl)cc1 31787485 RVOZCFNYDSEVLD-MRVPVSSYSA-N 349.868 4.290 0 40 EIAB C[C@@H]1CCc2ccccc2N1Cc1ccc(C(=O)N2CCCC2)cc1 32869446 YURBRFBNUYKMBH-QGZVFWFLSA-N 334.463 4.264 0 40 EIAB CC(=O)c1ccc(NC(=O)CCSc2nc3ccccc3o2)cc1 32870981 FSHGHNQCHWCKPE-UHFFFAOYSA-N 340.404 4.151 0 40 EIAB O=C(c1c(F)cccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 32904460 YXJJEVRPKDKPJN-UHFFFAOYSA-N 338.357 4.376 0 40 EIAB CCOc1cc(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)ccc1OC(F)F 33028587 JWBLZTUCQBUYHU-OBJOEFQTSA-N 341.398 4.241 0 40 EIAB N=C1C2=C3Sc4ccccc4N3CCCC2=NN1c1ccccc1 33690382 UPJUPPAPSOWFDE-UHFFFAOYSA-N 332.432 4.458 0 40 EIAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1OC 36620505 OAMBSPZPNQOCLF-MRXNPFEDSA-N 345.826 4.335 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C)cc1 38756755 QTAGXGMBCXWPKU-IBGZPJMESA-N 325.452 4.210 0 40 EIAB CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832256 YNRFFQIQGWXJBD-STQMWFEESA-N 343.298 4.120 0 40 EIAB Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1 40106913 VZWZUYLOGPRQKX-YRNVUSSQSA-N 334.419 4.304 0 40 EIAB O=C(NCc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478414 AYQPLCIAHOGDFD-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB CSc1nnc(NC(=O)CCc2ccc(C(C)(C)C)cc2)s1 41018980 JHPTVAIGKNCOLV-UHFFFAOYSA-N 335.498 4.129 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44279676 VASFZKQBBAROPF-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB Cc1c(C(=O)NC[C@H](C)N(C)c2ccccc2)oc2c(F)cccc12 48261356 KTLWKHGZGLAGLQ-ZDUSSCGKSA-N 340.398 4.135 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2c(C)cc(C)cc2C)cc1 51354261 UUVBDSAWJSEZNG-UHFFFAOYSA-N 326.396 4.433 0 40 EIAB Cc1cc(NC2CCN(Cc3ccccn3)CC2)nc2ccccc12 52407561 AVNKNJRJTIYGIU-UHFFFAOYSA-N 332.451 4.015 0 40 EIAB CCN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C 58029530 AHPIEUPYWZQXCC-FQEVSTJZSA-N 340.442 4.324 0 40 EIAB Cc1ccc(Nc2nc(C)c(C(=O)NC3CCCC3)s2)c(C)c1 71326593 OGWHICHKLIARPT-UHFFFAOYSA-N 329.469 4.484 0 40 EIAB CSc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72216936 XBPACNNHBAAHIW-INIZCTEOSA-N 328.437 4.277 0 40 EIAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72219217 OEFMBBFLBUHEPM-KRWDZBQOSA-N 345.487 4.452 0 40 EIAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72219278 GGXWGRCFCBHQKI-QGZVFWFLSA-N 345.487 4.452 0 40 EIAB O=C(NC[C@H](O)c1cc2ccccc2s1)c1ccccc1Cl 84595023 BIGGWWHSLGJGCV-AWEZNQCLSA-N 331.824 4.018 0 40 EIAB CCc1noc(CC)c1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 87060776 ZFZSXQWVSSUZOO-CYBMUJFWSA-N 340.423 4.308 0 40 EIAB C[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2[nH]cnc12 95972313 TVLONMYUQGWBRQ-ZDUSSCGKSA-N 325.437 4.071 0 40 EIAB COC1(CNC(=O)c2cc3ccccc3o2)C2CC3CC(C2)CC1C3 96123846 RMMYFORYEDJPRC-UHFFFAOYSA-N 339.435 4.004 0 40 EIAB Cc1cccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)c1 100844363 VYDHQDQQFYVOEE-QZQOTICOSA-N 332.428 4.443 0 40 EIAB CC(C)CCN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102055158 RQPRRWNQIYUHBI-UHFFFAOYSA-N 327.453 4.418 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)CCSCc2ccccc2)cc1 218998126 OWACZDZHLGFVSW-QGZVFWFLSA-N 343.492 4.202 0 40 EIAB Cc1nc(C)c(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)s1 219283093 PQJYBIOTIYOKRB-MRXNPFEDSA-N 346.521 4.389 0 40 EIAB CCSc1ccccc1C(=O)NCCCc1ccc(OC)cc1 219646220 PUUJGFYHYGQWSX-UHFFFAOYSA-N 329.465 4.170 0 40 EIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)s1 222904202 OBBHTNRPRDNYPX-CVEARBPZSA-N 331.510 4.080 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(C)cc1C 224527649 CYDXLPQFOSMGHS-LJQANCHMSA-N 325.452 4.430 0 40 EIAB COc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1OC 225046417 YUPWQXDMURDVLF-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CCOc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 225064742 PQYOREPSWSVOLN-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB CC(C)N(c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C 226323566 CNRIYIYOCYWCKV-HOTGVXAUSA-N 331.504 4.010 0 40 EIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCC[C@@]31C2 257241854 HZXHNCNKWNYEGM-NMZRWAFMSA-N 345.458 4.234 0 40 EIAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cccc3ncccc23)ccn1 257315539 VBWPWDANWNKEJT-GOSISDBHSA-N 345.446 4.176 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 390834359 WZDRSCBOGNJAMG-NSHDSACASA-N 333.819 4.077 0 40 EIAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](OCC2CC2)C1 575414527 WAQPDMXCOIHJAP-KRWDZBQOSA-N 327.449 4.056 0 40 EIAB Cc1ccccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 2372927 MKORJWHAEJQFSG-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccccc1F 3134758 PALSADFTONHLEM-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1ccccc1 4304990 GLOBQXKBQDGTDU-IBGZPJMESA-N 347.418 4.205 0 40 EIAB CC(=O)Oc1ccc([C@H](c2ccccc2)c2ccccc2C(=O)O)cc1 4747917 ZJRXHUZOFZBFMR-NRFANRHFSA-N 346.382 4.490 0 40 EIAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccc2Cl)cc1 4928706 FQGBSDWRYDGHIQ-GOSISDBHSA-N 337.810 4.430 0 40 EIAB Cc1cccc(NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)c1 5364487 LQQFARHKUFKYMM-UHFFFAOYSA-N 342.283 4.000 0 40 EIAB C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 5534967 UJVLDDZCTMKXJK-HCWGXPEJSA-N 340.463 4.370 0 40 EIAB in-vitro CCc1ccc2occ(CC(=O)Nc3nnc(C(C)C)s3)c2c1 6809826 LDBCMAGJSJPAJR-UHFFFAOYSA-N 329.425 4.151 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 7725421 LERWNHHPDSQCBN-UHFFFAOYSA-N 349.434 4.089 0 40 EIAB CCn1c(SCc2cc(-c3cccs3)on2)nnc1C1CC1 7825980 GLTXIQIZVQUYKF-UHFFFAOYSA-N 332.454 4.184 0 40 EIAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1F 7878868 BWNAFHKJMLZDGV-JTQLQIEISA-N 338.835 4.098 0 40 EIAB Fc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1 8198846 YIOXQDYGHCNNLB-UHFFFAOYSA-N 330.369 4.032 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1 8703867 KKXCSRFSTOPGLV-NSHDSACASA-N 330.384 4.150 0 40 EIAB Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)C)cc1 9059991 RFRRZJZPNNCMMJ-UHFFFAOYSA-N 346.434 4.065 0 40 EIAB O=C(COc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)no1 9183904 WBGBAZAQSYVIMU-UHFFFAOYSA-N 328.755 4.013 0 40 EIAB Oc1nc(SCc2cc3c(cc2Cl)OCO3)nc2ccccc12 10383738 CEABPHUXKCXBMJ-UHFFFAOYSA-N 346.795 4.010 0 40 EIAB COc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)cc1OC 12185840 VCTRLLUMDJQKGS-KRWDZBQOSA-N 330.428 4.118 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1c(F)cccc1F 12776009 LVZGWOYIINFLLW-UHFFFAOYSA-N 335.350 4.161 0 40 EIAB COC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1 12816406 NESWWPJZXPGLOY-UHFFFAOYSA-N 345.398 4.070 0 40 EIAB O=C(Nc1ccccc1F)c1cccc(OCc2cscn2)c1 12979163 YRRNBGBZLYNNJB-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB Cc1ccc(C)c(OCCSCCC(=O)Nc2ccccc2)c1 13017553 HQPYVKBRWCMUFF-UHFFFAOYSA-N 329.465 4.444 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1 13709694 GZPVTYJANBDYET-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710339 XYUPDXRUFPVLSX-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB CCOC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C 14607442 ZZBJIQQTLMORNG-UHFFFAOYSA-N 326.183 4.012 0 40 EIAB Cc1cccc(OCCCNC(=O)c2ccc(C(F)(F)F)cc2)c1 18234573 CUVPSCAOKXQPBF-UHFFFAOYSA-N 337.341 4.213 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(OC)c1 22397901 DYQJHXQDWDDCEV-UHFFFAOYSA-N 341.338 4.355 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)OCc1noc(-c2ccsc2)n1 23005598 IMLMZKBMKIGEGZ-NSHDSACASA-N 346.433 4.022 0 40 EIAB O=C(c1ccc(COc2ccccc2)o1)N1CCc2ccccc2C1 23692227 LQMAUSXTZCETIT-UHFFFAOYSA-N 333.387 4.057 0 40 EIAB CCc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)sc1C 23981379 WKDOSCVFEXZHEX-INIZCTEOSA-N 346.496 4.169 0 40 EIAB CC[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 24971599 HOBCGDGBMOYCMS-OAHLLOKOSA-N 347.459 4.099 0 40 EIAB Cc1cccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)n1 27983173 KHKGUFVESHZRAZ-UHFFFAOYSA-N 348.402 4.303 0 40 EIAB Cc1ccc(-c2nnc3n2N[C@@H](c2ccc(Cl)cc2)S3)cc1 28047831 PQNUQQRQLPDJJD-OAHLLOKOSA-N 328.828 4.255 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1ccccc1 29050327 BJOOQTVRQCUWKD-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 44900177 BJJIQKIBWYWDMK-KGLIPLIRSA-N 345.464 4.062 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1noc2ccccc12 44907389 JWGHMLBTNAEHGP-CYBMUJFWSA-N 334.375 4.336 0 40 EIAB Cn1c([C@H]2CCN(Cc3ccc(Cl)cc3)C2)nc2ccccc21 49171157 GKFJRBWWKWQCKV-HNNXBMFYSA-N 325.843 4.216 0 40 EIAB biogenic,in-vitro Cc1[nH]c(S[C@@H](C)c2nc(C3CC3)no2)nc1Cc1ccccc1 53269132 HWGJGPFKNKAWJE-LBPRGKRZSA-N 340.452 4.423 0 40 EIAB C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1cccs1 57422937 FUHNDTDMQKNHFW-NSHDSACASA-N 331.828 4.078 0 40 EIAB C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1Cl 58065832 JLQKGBQZKHSTQA-KBXCAEBGSA-N 339.826 4.003 0 40 EIAB Cc1nnc2ccc(C(=O)N[C@@H](c3ccccc3)C3CCCCC3)cn12 58427012 DPJRICGDCPNWNV-FQEVSTJZSA-N 348.450 4.089 0 40 EIAB Cc1ccc(CSCCNC(=O)CCc2ccccc2F)cc1 60906148 IQRGVDDQKLKSFM-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)cs2)cc1 72259958 SCVYWTPYFLLSBE-UHFFFAOYSA-N 326.377 4.219 0 40 EIAB CC[C@@H](C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 72291481 PVTLIXLOVACHPV-CYBMUJFWSA-N 330.453 4.005 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Br)cc2)c(CN(C)C)c1 78704256 RPARZMXMHGWBFL-UHFFFAOYSA-N 347.256 4.071 0 40 EIAB COCc1ccccc1NC(=O)Nc1ccccc1Br 79101142 KDYHWPGNYHYBHH-UHFFFAOYSA-N 335.201 4.240 0 40 EIAB C[C@](O)(c1ccc(OCCCOc2ccccc2)cc1)C(F)(F)F 84651592 DTGSFXNZRZTBRN-KRWDZBQOSA-N 340.341 4.304 0 40 EIAB C[C@@H]1CN(C(=O)Nc2nc(C3CC3)cs2)C[C@H](c2ccsc2)O1 89936999 JSXDLQLJINFWEM-QMTHXVAHSA-N 349.481 4.076 0 40 EIAB C[C@@H](N[C@@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 95421009 XZFXTRAPJWMCCJ-CXAGYDPISA-N 342.464 4.433 0 40 EIAB C[C@@H](c1ccc2ccccc2c1)N1CCC(c2nnc3n2CCC3)CC1 95953914 HBGRAGIMDFDLJN-INIZCTEOSA-N 346.478 4.318 0 40 EIAB CS[C@@H]1CCCC[C@@H]1NCC1(c2ccc(F)cc2)CCOCC1 95967430 MUNJNPOELPDDNT-ZWKOTPCHSA-N 337.504 4.138 0 40 EIAB CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1 96104711 MZLQJHJCDBLPND-ZDUSSCGKSA-N 343.370 4.193 0 40 EIAB Cc1nnc(CCC[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)o1 97379551 UEXQRCMDDIMKMO-AOUSDQRYSA-N 347.267 4.127 0 40 EIAB O=C(c1cc2ccccc2s1)N1CCC[C@H](c2nccs2)C1 171644962 MYQFEHDHHHIHPY-ZDUSSCGKSA-N 328.462 4.378 0 40 EIAB Cc1n[nH]c(C)c1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206999158 JJPYSKWRYTVPQC-OAHLLOKOSA-N 349.887 4.000 0 40 EIAB O=C(NCc1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 211080900 OPPJZONIIGKYDA-HNNXBMFYSA-N 332.444 4.367 0 40 EIAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222903050 RUPCMOXWLNTRFG-FIFPYPGSSA-N 335.447 4.465 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSC1CCCC1 223152189 HHUAXSZKIISICQ-QGZVFWFLSA-N 335.513 4.253 0 40 EIAB C[C@@H](CNC(=O)CSCc1ccccc1Cl)c1ccccc1 223402945 ODNQPTIBMDNDSE-AWEZNQCLSA-N 333.884 4.493 0 40 EIAB Cc1ccc(OCCCC(=O)NCCc2ccc(Cl)cc2)cc1 224142756 QEKVVAYUTARMBO-UHFFFAOYSA-N 331.843 4.166 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(COC)c1 224623745 IIOWVEVSISLFNJ-QGZVFWFLSA-N 333.815 4.283 0 40 EIAB COc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225102141 GUZDSYSODSAMPE-OAQYLSRUSA-N 348.398 4.437 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3F)oc2c1 226271021 FPEAKBAQIFFVIL-UHFFFAOYSA-N 338.260 4.159 0 40 EIAB Fc1cc(Br)ccc1NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 250886265 IXWVPOWWXUNOCG-MWODSPESSA-N 343.265 4.063 0 40 EIAB O=C(CCCn1cc(-c2ccc(F)cc2)cn1)Nc1ccc(F)cc1 257173159 FCCJOSMCERIZFB-UHFFFAOYSA-N 341.361 4.247 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(O)c(Cl)c2)S1 260756098 DEEMIZKCPKMIGA-UHNFBRDESA-N 345.855 4.030 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CCO[C@H](c4ccccc4)O3)n2)cc1F 585133693 RCDIXNCUIKAIGX-LPHOPBHVSA-N 340.354 4.361 0 40 EIAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1O2 603657254 AAADMDPKRDZDEE-IJEWVQPXSA-N 344.798 4.033 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccoc2)cs1 1775969798 LLTBPWKUFYLQCW-CYBMUJFWSA-N 327.405 4.092 0 40 EIAB CCSc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 35196 VDJIHBUKZJIRJP-UHFFFAOYSA-N 347.436 4.077 0 40 EIAB Cc1cc(C)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 48289 GBIFKEIDKCEVPF-UHFFFAOYSA-N 325.408 4.429 0 40 EIAB COc1cccc(C(=O)Nc2ccc3nc(SC)sc3c2)c1 193520 CJBREJLTVPLGOI-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB Cc1ccc(NC(=O)c2ccc(CSc3ncccn3)cc2)cc1 386477 ATCRTRVVQSJVDS-UHFFFAOYSA-N 335.432 4.330 0 40 EIAB Cc1cccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)c1 426374 KWVXGKDTMBRLPD-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3o2)cc1 2622422 INUKHLSBWHSLIR-UHFFFAOYSA-N 340.404 4.151 0 40 EIAB O=C(c1ccn(C(F)F)n1)N(C1CCCCC1)C1CCCCC1 2771030 FKJTXVZHSITLKN-UHFFFAOYSA-N 325.403 4.386 0 40 EIAB O=C(COc1cccc2ccccc12)Nc1ccc(F)c(F)c1F 3386310 HFEYHZIUFUEQDS-UHFFFAOYSA-N 331.293 4.275 0 40 EIAB CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 4029256 OPDBPJWZYLLHKS-KFYQUUCGSA-N 344.451 4.141 0 40 EIAB Cc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1Cl 4033563 NPVQDBXWGWWOHD-GFCCVEGCSA-N 325.799 4.045 0 40 EIAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1Cl 4135038 HFKFJBFDNXAXTF-UHFFFAOYSA-N 349.173 4.091 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 4524333 UNQBUHAJRCYJSR-UHFFFAOYSA-N 336.218 4.352 0 40 EIAB CCCCCC(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 4551317 KDRWYCLFFODFLI-UHFFFAOYSA-N 333.501 4.070 0 40 EIAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 4645837 FGVWCYMEMQAYGQ-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccccc1O 4826885 CFTJLRDPTUFLDV-CCEZHUSRSA-N 340.382 4.262 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)c1 4979732 XDTOZEPVXMWZFN-KVSKMBFKSA-N 346.467 4.464 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCCCC2)cc1 5244968 AKBDWRYOQZOWOM-UHFFFAOYSA-N 326.415 4.387 0 40 EIAB O=C(COC(=O)c1csc2c1CCCC2)c1ccc(Cl)s1 5968877 AKHKHCPXRAHGRV-UHFFFAOYSA-N 340.853 4.382 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1 6790791 IZJRZRXQTNZRCJ-UHFFFAOYSA-N 344.842 4.266 0 40 EIAB O=C(O)/C(=C/c1cc(Cl)ccc1O)Sc1nc2ccccc2o1 7602873 NGQSXJKIEQESKH-ZSOIEALJSA-N 347.779 4.405 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 7787217 BZLDAMQLZHSPIB-UHFFFAOYSA-N 331.799 4.259 0 40 EIAB Cc1cc(Cl)ccc1OCCCC(=O)NOCc1ccccc1 7791453 HWSWQULPJQAIGZ-UHFFFAOYSA-N 333.815 4.055 0 40 EIAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2)o1 8339282 WAQGEFBNNSJQDW-UHFFFAOYSA-N 334.832 4.160 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Br)cc1 9368047 XEEBNSOONMXFAX-GFCCVEGCSA-N 333.229 4.197 0 40 EIAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9996088 IWJOZZPTZZELIT-OAHLLOKOSA-N 326.396 4.413 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1c[nH]c(=S)n1-c1ccccc1 10323531 DZLOVMXVRSJHJY-UHFFFAOYSA-N 331.347 4.065 0 40 EIAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(F)c(Cl)c1 12422131 ANTFPCIFHXEOPT-UHFFFAOYSA-N 330.746 4.315 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCc2ccccc21 12867478 KDHNYMFAGUGKRQ-HNNXBMFYSA-N 336.218 4.176 0 40 EIAB Clc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 13693320 PTJANLZAQYICGF-UHFFFAOYSA-N 330.800 4.131 0 40 EIAB CN(C)[C@@H](CNc1ncnc2sccc12)c1ccccc1Cl 14075237 QVAVLZJKPFIUOW-AWEZNQCLSA-N 332.860 4.060 0 40 EIAB CC(=O)NCc1ccc(-c2nc(Cc3ccccc3)sc2C)s1 14103628 DMIFDCXLQCZZAR-UHFFFAOYSA-N 342.489 4.407 0 40 EIAB Brc1ccc(CCNc2ncnc3ccsc23)s1 14315958 SCQVEVDXGRDJQE-UHFFFAOYSA-N 340.271 4.170 0 40 EIAB Cc1cc(S[C@@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1 16454258 RWZXOSHVJNVBQS-AWEZNQCLSA-N 335.517 4.086 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(CC3=CCCCC3)s2)cc1C 17056610 PSZYICLYNGCDHZ-UHFFFAOYSA-N 327.453 4.450 0 40 EIAB C/C=C\C[S@@](=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 17380390 YUUPBNNTIAJGDG-YOXWTLATSA-N 333.478 4.121 0 40 EIAB CCOc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@H]3C)c(C)c2c1 17921441 QJCLXHCIIUAAAM-BETUJISGSA-N 330.428 4.048 0 40 EIAB CCCCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C(N)=O 19502281 HQNCAMROHYGSGC-UHFFFAOYSA-N 337.345 4.078 0 40 EIAB COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)cc1 20671958 JPBLREFJVISUMX-AWEZNQCLSA-N 347.418 4.390 0 40 EIAB Cc1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)o1 21524370 ZIHPRLBUNUYJEW-UHFFFAOYSA-N 326.783 4.483 0 40 EIAB Clc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 22877253 OADCBMJTFBFQAR-INIZCTEOSA-N 335.278 4.358 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)[C@H]1C[C@@H]1c1ccccc1 28243005 VBCLXBRAJSAGEQ-MSOLQXFVSA-N 334.444 4.230 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(Br)s3)ccc2o1 28303645 AJSHKVFICTVCMQ-UHFFFAOYSA-N 337.198 4.213 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccccc1N1CCc2ccccc21 31532671 ZLNKZERCJIWBCP-UHFFFAOYSA-N 347.418 4.167 0 40 EIAB CSc1cc(C(=O)OCc2coc(-c3ccccc3)n2)ccc1N 32885768 UIVDGTNVQVGTRU-UHFFFAOYSA-N 340.404 4.003 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 33535991 YIMLMAOXIDIHSZ-SFHVURJKSA-N 337.463 4.244 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(COc3ccc(F)cc3)o2)o1 35903408 UGKCURWWMBXKNP-UHFFFAOYSA-N 343.354 4.171 0 40 EIAB Clc1cccc(Cl)c1-c1nn2c(-c3ccncc3)nnc2s1 36359483 SEOLNQBTRJHWFK-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 47947548 MDURAQSRMQKYPD-UHFFFAOYSA-N 347.802 4.230 0 40 EIAB Cc1nc2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2nc1C 48303769 FYWBYWZPCCNLDF-SJKOYZFVSA-N 349.434 4.235 0 40 EIAB CCOC1CCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1 50338926 HDFAFLKVRZOKKW-UHFFFAOYSA-N 339.435 4.003 0 40 EIAB Cc1cc(Cl)ccc1-c1oc(/C=C/C(N)=O)cc1Br 57351191 ADTKFKJTTZYLKY-HWKANZROSA-N 340.604 4.169 0 40 EIAB CC[C@@H](OC)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 58032460 PPEGYTQBJDQIMB-MRXNPFEDSA-N 330.453 4.052 0 40 EIAB NC(=O)CCCCSc1ncnc2sc(-c3ccccc3)cc12 58179917 OTEUSBGRHNEWHW-UHFFFAOYSA-N 343.477 4.106 0 40 EIAB O=C(/C=C/c1cccc2cccnc12)NC[C@@H]1CCCc2ccccc21 58416471 GTJLONVLCIEGTK-AIGDTVQASA-N 342.442 4.484 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 66803272 DTRAQQHLQXWSAO-UHFFFAOYSA-N 346.434 4.151 0 40 EIAB Cc1ccc(C(=O)C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 69742368 WQKMXTACDLYHBO-UHFFFAOYSA-N 336.435 4.197 0 40 EIAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c(F)c1 71287930 DRWJFBVTHZFVBA-AWEZNQCLSA-N 335.404 4.203 0 40 EIAB CC[C@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1nccs1 71915980 YQRVXGQMRKSURQ-AWEZNQCLSA-N 342.424 4.379 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCCCC1 72216139 XCWWCXHAOVZFFA-FQEVSTJZSA-N 349.478 4.439 0 40 EIAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCCC3)C2)c1 72358322 YLQSTVUJFSGGQS-QGZVFWFLSA-N 337.467 4.274 0 40 EIAB CC(C)c1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1 72408147 BSFWBIWKWDWPOF-UHFFFAOYSA-N 335.411 4.111 0 40 EIAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccccc2O)n[nH]1 72427473 UKHJEDJSSQIIRE-UHFFFAOYSA-N 329.359 4.188 0 40 EIAB Cc1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(C)o1 75154737 FHFKNDKBYMTJID-UHFFFAOYSA-N 340.448 4.238 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 78458611 OISAKOYCRXOBGT-IFXJQAMLSA-N 329.415 4.423 0 40 EIAB CCS[C@@H]1CCC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 84811951 NYFAUAKPMYCECJ-LSDHHAIUSA-N 338.521 4.267 0 40 EIAB O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@H]1c1ncc[nH]1 95458550 NMWOYBAUVFBSOD-KRWDZBQOSA-N 345.402 4.215 0 40 EIAB O=C1NCCSc2c1sc1ccc(OCc3ccccc3)cc21 95642814 IICIULLWQJHFOV-UHFFFAOYSA-N 341.457 4.316 0 40 EIAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccc(F)cc3)C2=C(O)C1 102753278 ITVSEICFQQOSST-CQSZACIVSA-N 328.347 4.080 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2F)cc1 222813798 NRYVWPQWEGLAKH-KDOFPFPSSA-N 329.415 4.423 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccccc1Cl 223409371 HZEIVTFAHHBBPV-CYBMUJFWSA-N 335.856 4.016 0 40 EIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2C)cc1C 223444771 QTOVZAZBDXZLDQ-QGZVFWFLSA-N 331.481 4.101 0 40 EIAB CCCOCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 224420767 TXNLYNQGSQHUJM-AWEZNQCLSA-N 345.414 4.252 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)cc2)c1 224495788 REPCSIKVBVHAKL-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB COc1ccc(CCCNC(=S)Nc2ccc(Cl)cc2)cc1 225555795 FYGFZUCMENSECI-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB C[C@@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)c1cccs1 225621764 NOZJOIHHDWPESE-GOSISDBHSA-N 343.473 4.114 0 40 EIAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCC1 225898811 VSMCOJNYFOYEMH-UHFFFAOYSA-N 342.439 4.310 0 40 EIAB CNc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 226272079 XNQQRASFHXQNBO-UHFFFAOYSA-N 333.185 4.308 0 40 EIAB Cc1cccc(NC(=O)N2CCC(Oc3ccncc3Cl)CC2)c1 244998772 KSUDHGPTKOAGCP-UHFFFAOYSA-N 345.830 4.119 0 40 EIAB CC(C)[C@H](NCc1ncccc1Cl)[C@H](O)c1ccc(Cl)cc1 528561320 QIEWCORJUPEDJB-DLBZAZTESA-N 339.266 4.236 0 40 EIAB COc1cccc2cc([C@H](C)NCC3([C@H](C)CCO)CCC3)oc12 539509308 IKHDUYSMOQTGGB-CABCVRRESA-N 331.456 4.281 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 290113 FWBMUPNXHQHQMN-DOTOQJQBSA-N 336.435 4.192 0 40 EIAB Clc1ccc(Nc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 383394 MVNVAVBVYSYNRN-UHFFFAOYSA-N 341.827 4.225 0 40 EIAB CCN(CC)C(=O)C[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1 520582 KAOXPSMRKDCCFS-FPOVZHCZSA-N 347.499 4.027 0 40 EIAB O=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 1326705 DHZQEHXRYYNGPW-UHFFFAOYSA-N 340.423 4.455 0 40 EIAB c1ccc(OCCOc2ccc(C[C@H]3CN4CCC3CC4)cc2)cc1 1900547 RNXDIOGUOAVZFX-FQEVSTJZSA-N 337.463 4.029 0 40 EIAB Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 2067853 CQOZKRYYTULKMO-YBEGLDIGSA-N 342.395 4.240 0 40 EIAB CC(C)C(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 2198917 IKRSMULBDRZPES-UHFFFAOYSA-N 330.240 4.030 0 40 EIAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl 2689129 CNPWLUOEUVDXHF-RDTXWAMCSA-N 344.798 4.118 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 2744417 NTLWAIGYGLGPBY-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)cc1 3257303 DSZGYNBHRUNKPL-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1OCC 3438794 RUKNGERCQKSCNT-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccccc1 4277925 AXNFMPSLUDJWOX-UHFFFAOYSA-N 349.463 4.213 0 40 EIAB CC(C)=C[C@H]1[C@@H](COC(=O)c2cc3c(cc2Cl)OCO3)C1(C)C 4769131 AXLBVVLIPLJARG-QWHCGFSZSA-N 336.815 4.464 0 40 EIAB in-vitro Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCCC2)c1 4887805 YVHGGZJXJONEOT-VCSGRIEYSA-N 340.511 4.443 0 40 EIAB C[C@@H](Sc1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1 5627608 MDESDGVKKSZFDC-GFCCVEGCSA-N 333.416 4.325 0 40 EIAB Cc1nc(C(=O)NCCc2cccc(F)c2)cc2c1[nH]c1ccccc12 6075837 NZSXQNMUPYTCKI-UHFFFAOYSA-N 347.393 4.136 0 40 EIAB biogenic Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C)c1 6317010 HRADNIAZZZYUEY-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 6480393 AJJHBUGGLDGQCQ-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB CC(C)(C)SCCNC(=O)CSCc1c(F)cccc1Cl 6761800 AEVMINOTGDHPMN-UHFFFAOYSA-N 349.924 4.360 0 40 EIAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 6886767 ZJAKMHCVACQRAR-GOSISDBHSA-N 345.826 4.490 0 40 EIAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 7360515 ZQBXVSSLMJJBJV-UHFFFAOYSA-N 349.452 4.018 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1 7405322 KXWLQPQRGWZPLX-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1 7878215 YKIGMHKBGXSQRH-JTQLQIEISA-N 338.835 4.098 0 40 EIAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 7928683 XIFHZLPGUFGLRN-MRXNPFEDSA-N 337.419 4.077 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1 8072363 BXVIJWUAMMILKT-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 8794171 CSEBDFHTIGQVRQ-UHFFFAOYSA-N 337.470 4.078 0 40 EIAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 8869614 LERBSLQPFZPLIN-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB COc1ccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 8985407 GWAQDBWSICHZHT-INIZCTEOSA-N 343.448 4.219 0 40 EIAB COc1ccc(CNC(=O)c2c(C)c3cc(Cl)ccc3n2C)cc1 9264141 BZXCRZMUABAJJN-UHFFFAOYSA-N 342.826 4.079 0 40 EIAB Cc1ccc(C(=O)N2CCCCCCC2)cc1NC(=O)c1ccco1 10028967 ZQPCAFTYQBWEDO-UHFFFAOYSA-N 340.423 4.247 0 40 EIAB Cc1ccc(Cl)c(OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 11210511 QKRRDJLFBVEWKL-LJQANCHMSA-N 329.827 4.295 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)CCC2 11211350 MPCHLQYKJPSDCV-UHFFFAOYSA-N 346.386 4.273 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC(c2c[nH]c3ccccc23)CC1 11265101 QEISPYIOBWALKM-UHFFFAOYSA-N 344.418 4.064 0 40 EIAB CC[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 11266537 HWWVDTCGWMCXKM-PMACEKPBSA-N 340.442 4.195 0 40 EIAB COc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c1 12602328 INZMANTZZFBIJO-UKTHLTGXSA-N 325.389 4.320 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)cc1 12761087 NKEXOWIUVSHQKJ-UBIUBJKMSA-N 325.383 4.211 0 40 EIAB CCOC(=O)c1ccc(Nc2ncnc3c2oc2ccccc23)cc1 16955993 GIUNAKSSINKGDQ-UHFFFAOYSA-N 333.347 4.296 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c(C)c1 17988442 JFWAHTOTLIRFHK-QRVBRYPASA-N 333.431 4.377 0 40 EIAB CC(C)(C)c1ccc(OCCCCCCCN2CCNCC2)cc1 19364915 FOSVBTQPTUYWRY-UHFFFAOYSA-N 332.532 4.219 0 40 EIAB CCCc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19525797 GPFKFJRURVSOHE-WKDRNLAYSA-N 335.495 4.491 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSc1ccccc1 20452512 BSLNIZDYDNXMFP-SFHVURJKSA-N 343.492 4.369 0 40 EIAB C[C@H](O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 22108652 DNNVRAXONCIMGA-HNNXBMFYSA-N 339.410 4.471 0 40 EIAB O=C1COc2ccc(C(=O)c3cc4c(ccc5ccccc54)o3)cc2N1 22195246 SUNLMNPKUWOUGW-UHFFFAOYSA-N 343.338 4.148 0 40 EIAB O=C(Nc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 22996535 KTCSXHXRPBIWKR-UHFFFAOYSA-N 334.219 4.372 0 40 EIAB CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 26185346 KAAZGXDPUNNEFN-UHFFFAOYSA-N 343.883 4.130 0 40 EIAB in-man COc1cccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 28220193 ZXWURDFDHOVBAW-UHFFFAOYSA-N 342.786 4.178 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccc2Cl)c1 28306020 KAMRZPFKBHYJBS-LLVKDONJSA-N 334.803 4.240 0 40 EIAB Cc1ccccc1CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 29338092 RKYGDQYIZMUEKP-NRFANRHFSA-N 345.446 4.021 0 40 EIAB CCCNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 31423792 NKNHLDUTKILOOP-LLVKDONJSA-N 338.860 4.143 0 40 EIAB Cc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2)cc1 32340246 JKUHNEZEWSEBBE-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB O=C(Nc1ccnc2ccccc12)c1ccc(F)cc1Br 32912882 NVPJAHFDNFBUCC-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(C(C)(C)C)[C@H](Cl)C1=O 38337824 FUJAFOQTUOUJSK-YGRLFVJLSA-N 325.663 4.308 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 38755988 QYJLMKJYUVGCNZ-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1 39753683 BNABYFFAUITQSX-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB Cc1cc(Br)ccc1C(=O)CCCCCCC(=O)O 43214136 OERWYQHMQHMGNV-UHFFFAOYSA-N 327.218 4.365 0 40 EIAB O=C(NCCc1cccs1)c1cc(-c2cccc3ccccc23)[nH]n1 44839351 KAMVMFAGWFEBBZ-UHFFFAOYSA-N 347.443 4.264 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1cccc(C)c1 44885041 OAGADSUYUPWBDP-FQEVSTJZSA-N 325.452 4.210 0 40 EIAB Cc1cccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 44912407 TYNLSALWDGBNFB-SFHVURJKSA-N 336.479 4.157 0 40 EIAB Cc1c(C(=O)NC2CCCCCCC2)nnn1-c1ccc(Cl)cc1 51318079 QOTVOEFAICZMKW-UHFFFAOYSA-N 346.862 4.072 0 40 EIAB CCCNC(=O)c1ccc(NC(=O)c2sccc2C)cc1Cl 56150628 VSDBAJYFWMCBBO-UHFFFAOYSA-N 336.844 4.102 0 40 EIAB CCn1cc2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2n1 58022962 NERDDHBQOOCEQZ-UHFFFAOYSA-N 329.403 4.391 0 40 EIAB O=C(Nc1cccc(F)c1)N1CCC(OCCc2ccccc2)CC1 58245225 FAVVFSTUWLZGMG-UHFFFAOYSA-N 342.414 4.081 0 40 EIAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3c(C)nn(C(C)C)c3C)c2c1 65004530 NIWJODDFLLSZGX-UHFFFAOYSA-N 338.455 4.360 0 40 EIAB CN(C(=O)c1csc(C(C)(C)C)n1)c1nc2ccccc2s1 65607565 BKODIHAGRKRSRE-UHFFFAOYSA-N 331.466 4.327 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CC=C(c2ccccc2)CC1 66895812 DJLVOEISYDITDQ-UHFFFAOYSA-N 341.414 4.073 0 40 EIAB CC(C)c1nc2ccc(NC(=O)CC3(C(=O)O)CCCC3)cc2s1 71834541 CKQLBEUPVWVFFR-UHFFFAOYSA-N 346.452 4.393 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 71844130 LNOXOANGZHSBNQ-AAEUAGOBSA-N 333.863 4.013 0 40 EIAB CC[C@@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1nccs1 71915981 YQRVXGQMRKSURQ-CQSZACIVSA-N 342.424 4.379 0 40 EIAB CC(C)CN1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214441 ZJHPYRKRGMJRBG-MRXNPFEDSA-N 333.476 4.246 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72214991 AEMGWQQDLITIAF-MRXNPFEDSA-N 333.476 4.438 0 40 EIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cccc2nccnc12 72314708 JHFAONDMHIXXGJ-IBGZPJMESA-N 344.418 4.026 0 40 EIAB Cc1ccc(-c2nc(N3CCC[C@@H](C)C3)ncc2-c2cc(C)no2)cn1 72337269 YJQFOSJBGXHCMW-CYBMUJFWSA-N 349.438 4.047 0 40 EIAB CC(C)CCn1c2ccc(C(=O)O)cc2c2cc(C(=O)O)ccc21 73634137 MNTQILFUBMCZJX-UHFFFAOYSA-N 325.364 4.237 0 40 EIAB Cc1ccc(C(=O)NC2(c3nc(C4CC4)no3)CCCCC2)cc1C 75164150 LAZJEINFYNCVMP-UHFFFAOYSA-N 339.439 4.153 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 78458608 OISAKOYCRXOBGT-AUUYWEPGSA-N 329.415 4.423 0 40 EIAB CC(C)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)ccc21 89856720 ARVZIOZCCQCIIM-MOPGFXCFSA-N 333.435 4.435 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)N[C@H](CC)c2ccncc2)cc1C 95403820 ZGCFETLJALZGDV-MRXNPFEDSA-N 340.427 4.011 0 40 EIAB CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1csc(CC)n1)CCO2 95422314 VFAPVHSTEIGESD-WFASDCNBSA-N 332.469 4.279 0 40 EIAB c1ccc(Sc2ccc(CN[C@@H]3CCCn4ncnc43)cc2)cc1 95436113 LTNZMVNSUGXBBS-GOSISDBHSA-N 336.464 4.054 0 40 EIAB CSC[C@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 95963042 CUDUDHBFLGTHPH-MNOVXSKESA-N 332.296 4.308 0 40 EIAB Cc1ccc(CN2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)o1 96061662 CXBMTXNVZZYVEJ-RTWAWAEBSA-N 326.484 4.114 0 40 EIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(NC(=O)c2ccccn2)cc1 100443549 LBHXSGVMJXHIEB-OAGGEKHMSA-N 349.434 4.099 0 40 EIAB CC1=C(C(=S)Nc2ccc(C)cc2)[C@H](c2ccccc2)NC(=O)N1 100857996 AXJZZAPTGSHFDB-KRWDZBQOSA-N 337.448 4.062 0 40 EIAB C[C@@H]1CN(Cc2ccc3oc(-c4ccccc4F)nc3c2)C[C@@H](C)O1 216790698 IMNXTSOEVDWOQW-ZIAGYGMSSA-N 340.398 4.243 0 40 EIAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222621845 BUONUFUSWZBZFJ-IAOVAPTHSA-N 326.469 4.053 0 40 EIAB COc1ccccc1O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225083082 KEKUYTMIACKWGW-AWEZNQCLSA-N 341.190 4.077 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289093 ODTLXGOCHYMKRS-SFHVURJKSA-N 347.462 4.348 0 40 EIAB Cc1cccc(CSCCNC(=S)Nc2ccc(F)cc2)c1 225337160 AOKAZSMWRKHDBN-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB CCOc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1 225387051 XMWCHBSFKVDOMX-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB O=C(Nc1ccccc1Cl)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225679843 SVCACVNLXDYQND-CYBMUJFWSA-N 344.798 4.090 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1snnc1-c1ccc(F)cc1 225778275 PQGUMVGNXDVXLS-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB C[C@H](c1cccc(O)c1)N(C)C(=O)c1sc2ncccc2c1Cl 1635667535 IWBGHLYWGAHZFE-SNVBAGLBSA-N 346.839 4.489 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)[C@H]1O[C@H]1C(Cl)(Cl)Cl 160258 LDPFEPGGLUKXDY-RKDXNWHRSA-N 334.413 4.314 0 40 EIAB CSc1nc(NCc2ccco2)c2c3c(sc2n1)CCCC3 554402 MHPYHXZLXLFIKL-UHFFFAOYSA-N 331.466 4.497 0 40 EIAB COc1ccc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)cc1 1235762 NOBIKRMHAAKCIX-WJDWOHSUSA-N 325.389 4.245 0 40 EIAB CCN(C(=O)C1CC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356404 FVKWEQCJUBWVJN-UHFFFAOYSA-N 329.469 4.266 0 40 EIAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(OC)c1 1514334 LYKPROXHERLGPH-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB O=Cc1cccn1-c1nc(-c2ccc(Br)cc2)cs1 1527244 KOLXOKGBFYYEIM-UHFFFAOYSA-N 333.210 4.176 0 40 EIAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1Cl 2689134 CNPWLUOEUVDXHF-KSSFIOAISA-N 344.798 4.118 0 40 EIAB CC(C)CCCCCCOc1ccc([C@@H](CC(N)=O)CC(=O)O)cc1 4024669 ZCGJBJLIAOLTAB-KRWDZBQOSA-N 349.471 4.106 0 40 EIAB biogenic CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3cccs3)nnc12 4169407 OAWOUVDHUZTGIK-QGHHPUGFSA-N 345.493 4.083 0 40 EIAB Cc1ccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)cc1 4355054 TWJSQKHZNIUEDA-UHFFFAOYSA-N 333.439 4.426 0 40 EIAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C 4410585 ZZLLARIGQJCNGD-UHFFFAOYSA-N 347.827 4.012 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccccc1 4629570 FAZXMQSIGZORAV-HXUWFJFHSA-N 347.418 4.041 0 40 EIAB COc1ccccc1S(=O)(=O)Nc1ccccc1-c1ccccc1 5602503 CNZKUTJCBMNWCJ-UHFFFAOYSA-N 339.416 4.163 0 40 EIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)F)cc1 5612354 ODHBPGHFSRVBRY-UHFFFAOYSA-N 335.394 4.234 0 40 EIAB Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 6152699 MSNHQOMBKWRJCB-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB COc1ccc(CNC(=S)NC2CCCCC2)c(C(C)(C)C)c1 6262670 TVOWXOWMECOZRJ-UHFFFAOYSA-N 334.529 4.290 0 40 EIAB CCCCCC(=O)NC(=S)Nc1cccc(NC(=O)CCCC)c1 6386573 LKHASRJLZQBJAZ-UHFFFAOYSA-N 349.500 4.209 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CS[C@H](C)c1ccccc1 6560357 LAOOPSQLLGUFAD-CQSZACIVSA-N 345.464 4.485 0 40 EIAB CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccc2C)c(C)nc1C 6809944 LGHWKWIZGBNLQN-UHFFFAOYSA-N 341.411 4.136 0 40 EIAB Cc1ccc([C@H](NC(=O)COc2ccccc2F)c2ccccc2)cc1 7686167 ACHIWSCTGAGMFB-JOCHJYFZSA-N 349.405 4.419 0 40 EIAB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1ccc(C)o1 7974735 XJYZKBYZKBFPFA-UHFFFAOYSA-N 327.380 4.143 0 40 EIAB CC(=O)NCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 8209413 DVEUSISPBVDHTP-UHFFFAOYSA-N 326.396 4.252 0 40 EIAB CCOC(=O)Cc1csc(Nc2ccc(Cl)cc2Cl)n1 8227928 HVUBXOMAPIGSKE-UHFFFAOYSA-N 331.224 4.299 0 40 EIAB Cc1ccc(-c2nn(CC(=O)c3ccc(F)cc3)c(=S)o2)cc1 8550645 LWRQYNDQKNSGSB-UHFFFAOYSA-N 328.368 4.203 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(F)c3)ccc21 9136914 QLTNUMWKFKOPHZ-UHFFFAOYSA-N 340.398 4.157 0 40 EIAB O=C(OCc1csc(-c2ccccc2)n1)c1c(F)cccc1F 11125718 LMOKSUFHNKQMTP-UHFFFAOYSA-N 331.343 4.445 0 40 EIAB CCn1nccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 11695980 WYQKPUAYIJJKSE-UHFFFAOYSA-N 348.431 4.432 0 40 EIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc2ccccc2c1 12777882 UJMSTFWGFPMMEK-CQSZACIVSA-N 330.387 4.217 0 40 EIAB c1coc(CN(Cc2ccco2)Cc2nc(-c3cccs3)no2)c1 12911334 KFYZUWJQAJIPEJ-UHFFFAOYSA-N 341.392 4.187 0 40 EIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(Cl)cc1 12999639 WAMZTPSSXJAUCX-UHFFFAOYSA-N 332.806 4.082 0 40 EIAB C[C@H]1CCCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)C1 13668828 CFGSGSPULYIXHA-SFHVURJKSA-N 348.490 4.117 0 40 EIAB COc1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 18141466 IERNDTSFHFXEBK-UHFFFAOYSA-N 340.370 4.201 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20036971 HFAYAUHFBOHJPB-LJQANCHMSA-N 339.479 4.437 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1 20487022 GLJWJWZKDYFOOK-HNNXBMFYSA-N 325.742 4.414 0 40 EIAB COc1ccc2c(CC(=O)OCc3cccc(Cl)c3)coc2c1 21105517 WKZFHICQJKVOSA-UHFFFAOYSA-N 330.767 4.381 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1c1ccccc1 22328755 YRQYYZRRXBCYJF-QGZVFWFLSA-N 349.459 4.491 0 40 EIAB COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1OC(F)F 22753806 LEJNXXHWDXLHEI-UHFFFAOYSA-N 345.704 4.341 0 40 EIAB CCN(C(=O)[C@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1 23042170 YXDZGZZPXJQPJL-ZDUSSCGKSA-N 329.252 4.233 0 40 EIAB Cc1cccc(-n2ncc(C(=O)N[C@H](C)c3ccccc3C)c2C)c1 24830524 KYJISGKCGHCZHB-MRXNPFEDSA-N 333.435 4.289 0 40 EIAB Fc1ccc(Br)cc1CN[C@@H]1CCOc2ccccc21 25357289 DRQPZROIBIYNNZ-OAHLLOKOSA-N 336.204 4.202 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN[C@H]1CCCC[C@@H]1C 28297091 XYNAGHMHYXSCDA-CVAIRZPRSA-N 328.500 4.096 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCCC2)o1 28649764 DALKBMQYQDYNHF-UHFFFAOYSA-N 349.434 4.457 0 40 EIAB CN(Cc1ccco1)C(=O)c1ccc(SCc2cscn2)cc1 30921677 GDZBTFRXQUGBKV-UHFFFAOYSA-N 344.461 4.301 0 40 EIAB COc1ccc(CNc2ncnc3ccc(Br)cc23)cc1 32540946 NXKTXADVZZWPIG-UHFFFAOYSA-N 344.212 4.013 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38666445 SUFDINRGYBUYRZ-AWEZNQCLSA-N 345.468 4.084 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccncc2)ccc1C(C)C 40141036 VMEPJMSFBRYCRM-HOTGVXAUSA-N 326.440 4.158 0 40 EIAB O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1ccc(Cl)c(Cl)c1 40165606 LSBCZZFOHWYLKD-SNVBAGLBSA-N 346.217 4.390 0 40 EIAB Cc1cc(C(=O)N(Cc2ccsc2)Cc2ccccn2)c(C)o1 44445940 ITMWIVZYKIXQPV-UHFFFAOYSA-N 326.421 4.196 0 40 EIAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 48012747 XNPCIIPHPHAKII-INIZCTEOSA-N 344.436 4.294 0 40 EIAB Cc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cs1 48341341 XXGPYCIOZDISEH-BDJLRTHQSA-N 345.468 4.042 0 40 EIAB COc1cc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)ccc1OCc1ccccc1 48354815 XDHQWOVMKLHIBX-MPGHIAIKSA-N 339.435 4.107 0 40 EIAB c1ccc(COc2cccc(CNc3ncnc4sccc34)c2)nc1 52243177 PETCYDQNHWMCQW-UHFFFAOYSA-N 348.431 4.277 0 40 EIAB O=C1CN(Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2F)N1 58380378 QNUYGCDGDNDQBP-JOCHJYFZSA-N 346.405 4.123 0 40 EIAB Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1C 60141351 LWEPJUBGUPWONF-MRXNPFEDSA-N 332.444 4.032 0 40 EIAB Cc1cccc(C)c1NC(=O)NCCc1coc(-c2ccccc2)n1 65606960 VPZUBYFYOLAMNF-UHFFFAOYSA-N 335.407 4.323 0 40 EIAB CC(C)(C)OC(=O)N1CCC(C(=O)c2cnc3ccccc3c2)CC1 66354470 QQHGUKHUOFGSJW-UHFFFAOYSA-N 340.423 4.065 0 40 EIAB O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)c(F)c1 67207134 DUDKFPJYCHDSBZ-UHFFFAOYSA-N 326.415 4.387 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1sccc1C1CC1 69567234 YWCPHAPPNYWEDP-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCOc3ccccc32)n1 72273926 KWONDEAZSHVOEP-HZPDHXFCSA-N 342.464 4.071 0 40 EIAB CO[C@H]1CCC[C@@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 72346629 VNBQJFAKIYBISH-SOLBZPMBSA-N 343.467 4.144 0 40 EIAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72378655 HZCMDRBWOWENGJ-IBGZPJMESA-N 336.414 4.052 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 72380331 URURUXXEBBJKOB-SFHVURJKSA-N 341.430 4.460 0 40 EIAB C[C@H](c1cccc(O)c1)N(C)C(=O)COc1ccccc1C(C)(C)C 75107740 AZHBDZNQPPVGOY-OAHLLOKOSA-N 341.451 4.288 0 40 EIAB Cc1cc(C(=O)N2CCCSc3ccccc32)nn1-c1ccccc1 78783115 HAVHXGJQVUIZFM-UHFFFAOYSA-N 349.459 4.323 0 40 EIAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 81313591 IOQSPCXJDCGFJN-UHFFFAOYSA-N 325.252 4.120 0 40 EIAB Cc1nc(-c2cccs2)sc1CNC(=O)Cc1cccs1 85470944 HNPIZHGJJYKVTG-UHFFFAOYSA-N 334.491 4.100 0 40 EIAB CCc1cnc([C@@H](C)NC(=O)N(C2CC2)[C@@H](C)c2ccccn2)s1 86428803 IZYOPJBWISDIMJ-OLZOCXBDSA-N 344.484 4.097 0 40 EIAB COCc1ccsc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 95465973 NBGYHCSELSOKLQ-UHFFFAOYSA-N 345.420 4.188 0 40 EIAB Cc1nc(C(=O)Nc2cccnc2)c(-c2ccccc2Cl)s1 95474447 ZHNJTONWJUHEMU-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1cc(NCc2c(C)nn(C)c2Cl)ccc1Br 95951435 JATYYUXRHGFDPV-UHFFFAOYSA-N 328.641 4.065 0 40 EIAB c1ccc(CN2CCC3(CC2)CCn2c(-c4ccccc4)cnc23)cc1 96263427 LQCXLCJTQAICBY-UHFFFAOYSA-N 343.474 4.488 0 40 EIAB CCc1nn(-c2ccccc2Cl)c2nnc(-c3ccccc3)nc12 96316686 UMHXFJOHRZHQOZ-UHFFFAOYSA-N 335.798 4.093 0 40 EIAB CC(C)N(C[C@H](C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 98213663 GQWRBNJRKSPGTF-AWEZNQCLSA-N 341.835 4.154 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102299663 KRBRJHDNAYUDKD-NNFUDEMPSA-N 329.484 4.304 0 40 EIAB CC1=C(C(=O)OCC2CCCCC2)[C@@H]2C[C@@](C)(N1)Oc1ccccc12 102472320 ONMLSLZLTMJBPU-UTKZUKDTSA-N 341.451 4.270 0 40 EIAB Cc1cnc([C@@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 120919913 QNCWZWJUYKSEOA-ACJLOTCBSA-N 344.480 4.415 0 40 EIAB Cc1noc(C)c1[C@H](C)CNC(=O)c1oc2c(C)ccc(C)c2c1C 152038224 OKQMXYYZZYBCPT-GFCCVEGCSA-N 340.423 4.496 0 40 EIAB C[S@@](=O)Cc1cc(NCc2cc(F)c(F)c(F)c2)ccc1Cl 195559117 JSAXFRJGKZJLGB-JOCHJYFZSA-N 347.789 4.248 0 40 EIAB O=C(CCc1ccccc1Cl)NCCSC1CCCCC1 220012417 PGAQOTFAJNXACB-UHFFFAOYSA-N 325.905 4.455 0 40 EIAB CCCOc1ccccc1CCCNC(=O)c1ccc(OC)c(C)c1 222918129 COFBGPWCPFPCNQ-UHFFFAOYSA-N 341.451 4.155 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1 223433654 PZXXTZYRGTZTQM-UHFFFAOYSA-N 327.858 4.171 0 40 EIAB Cc1cccc(CSCC(=O)NCCOc2cc(C)cc(C)c2)c1 224107200 ROQUZSGDPHOGJF-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC[C@H](C)c1ccccc1 224451911 VEGQFFLRBFFOAD-PXNSSMCTSA-N 325.452 4.381 0 40 EIAB COc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(F)(F)F 225810279 WTJFGKPBEINXAU-UHFFFAOYSA-N 345.361 4.248 0 40 EIAB COc1ccc(NC(=O)c2conc2-c2ccccc2)cc1Cl 225871643 AKHVCEFXNNOIFG-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(F)cc3F)CC2)o1 227163801 MPQDSBWBEHVKIA-UHFFFAOYSA-N 348.393 4.270 0 40 EIAB Cc1ccc(NC(=O)C2=C[C@H]3Oc4ccccc4[C@@H]3C=C2O)cc1C 255188149 IRYVECFMTPEKEI-OXJNMPFZSA-N 333.387 4.169 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl 408701246 UYIRVMWNLKQUFX-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB Cc1cccc(CSCCNC(=O)CSc2ccccc2)c1 408921510 IJASANSTQILXEM-UHFFFAOYSA-N 331.506 4.137 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3ccc(C)o3)cc2)n1 604730910 QNHIZRCGTDEYKY-IBGZPJMESA-N 349.434 4.368 0 40 EIAB Clc1ccc(CN2CCC(Nc3cc(C4CC4)ncn3)CC2)cc1 1651321284 PDQZWATVRZVPFT-UHFFFAOYSA-N 342.874 4.084 0 40 EIAB Cc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1 497541 AJNJBGBVWVCWBF-UHFFFAOYSA-N 340.452 4.310 0 40 EIAB Fc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 531226 KTMXCDZTOSOCSP-CVEARBPZSA-N 328.778 4.217 0 40 EIAB COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)C(C)C 557960 DEVDRQCIQQZEGH-UHFFFAOYSA-N 340.423 4.159 0 40 EIAB CC[C@H](COC(=O)c1ccc(N)cc1)NC(CC(C)C)CC(C)C 1709199 MQFAYMWEAATWGL-GOSISDBHSA-N 334.504 4.255 0 40 EIAB Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 2551251 UEDWDPCKCZTCBF-UHFFFAOYSA-N 345.395 4.123 0 40 EIAB CCOc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)cc1 2624341 JYPNQDPVPUROHT-UHFFFAOYSA-N 346.433 4.172 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 3217628 XJVIDQWHTPOLJY-INIZCTEOSA-N 331.799 4.016 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2o1 3300082 UBANCWAMPYEPAR-GHMZBOCLSA-N 338.860 4.363 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 3561009 GQRBDDMDSOHPND-XCVCLJGOSA-N 325.261 4.376 0 40 EIAB CC(C)c1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 4469030 FZFOKSDKAPRZND-QFIPXVFZSA-N 348.446 4.094 0 40 EIAB OCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 4908445 GSTFNHPQJLZTDL-UHFFFAOYSA-N 332.403 4.151 0 40 EIAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2N2CCCC2)c1 5089950 XWRSZZMLSOJVKI-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2O)n[nH]1 5928575 YMBMEWWESPSCNO-UHFFFAOYSA-N 347.296 4.053 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1nc2ccc(C)cc2[nH]1 6506650 BGHCDTHIKHOPEG-UHFFFAOYSA-N 326.421 4.375 0 40 EIAB COC(=O)c1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 6809789 DYWUPUBOQFSMFS-UHFFFAOYSA-N 337.375 4.017 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1ccccc1 8269672 VMRJGPIVHFGOMW-UHFFFAOYSA-N 331.799 4.259 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 8470868 IJQJYCMCNJVCCA-INIZCTEOSA-N 344.414 4.430 0 40 EIAB CCCCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 8976595 ZQAJEJPYMHKHGY-UHFFFAOYSA-N 328.412 4.375 0 40 EIAB Cc1ccc(CSCCNC(=O)Cc2ccc(C)c(C)c2)cc1 10009774 HRRLCMCBNCNKBZ-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB Cc1ccc(CCC(=O)NCCSCc2ccc(C)cc2)cc1 10370627 UDHDHGKVSSSQLG-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(C(F)(F)F)c1 10541874 XUJLTXABABIUCX-UHFFFAOYSA-N 335.325 4.307 0 40 EIAB COc1ccc2nc(SCc3cc(Cl)c4c(c3)OCO4)[nH]c2c1 11321917 NVCQBAJDWGYMQD-UHFFFAOYSA-N 348.811 4.246 0 40 EIAB COc1ccc(-c2n[nH]cc2CNCc2cccc(Cl)c2)cc1 12530440 XVKLOGCJWNSETO-UHFFFAOYSA-N 327.815 4.029 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1Cl 12742237 GXPFIFXJCKLHFA-SECBINFHSA-N 341.741 4.033 0 40 EIAB COCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 12751659 KSMSIINTUAHYSS-UHFFFAOYSA-N 346.481 4.004 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 12769172 ASUALTOORFMYAL-NWDGAFQWSA-N 335.753 4.200 0 40 EIAB C[C@H](NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1)c1cccs1 12988567 LUKYGHGIKKMXNU-HNNXBMFYSA-N 344.524 4.355 0 40 EIAB O=C(CCSCCOc1ccccc1)Nc1cccc(Cl)c1 13019534 XODQQMMOJPDSNG-UHFFFAOYSA-N 335.856 4.481 0 40 EIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1ccc3c(c1)OCO3)N2 13123872 XSGCILQLXJLOOK-HXUWFJFHSA-N 333.391 4.176 0 40 EIAB COc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1 13685226 NGCJFQAVRRNYPS-UHFFFAOYSA-N 342.402 4.313 0 40 EIAB Cc1ccccc1NC(=O)CCC(=O)c1ccc(Br)cc1 15352448 NTORXAFLGCUMPP-UHFFFAOYSA-N 346.224 4.359 0 40 EIAB CCOC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 15578138 ZZFWHDPFHADQEA-UHFFFAOYSA-N 348.786 4.169 0 40 EIAB COc1cc(SC)ccc1C(=O)Nc1ccccc1N1CCCC1 18839807 QCJSNAXAFFHFGI-UHFFFAOYSA-N 342.464 4.270 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 20455076 KKDVQVXXUGMOHQ-OAHLLOKOSA-N 327.424 4.442 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(Cl)cc1 20495711 GWAMAXVFRHFREY-GOSISDBHSA-N 349.833 4.386 0 40 EIAB COc1cccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)c1 23126573 VGWIYEUSRXQKKS-UHFFFAOYSA-N 348.431 4.375 0 40 EIAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 24445045 CATCXFJUBVZFNB-IBGZPJMESA-N 345.464 4.040 0 40 EIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)Cc3ccccc3)n2c1 24595124 XPAPHDMBZNRXAB-UHFFFAOYSA-N 341.414 4.491 0 40 EIAB Cc1cc(=O)oc2cc(OCc3cc(F)cc4cccnc34)ccc12 31606789 AOQHVYLMXQVHOU-UHFFFAOYSA-N 335.334 4.368 0 40 EIAB Cc1nc(-c2ccccc2)sc1-c1nn2c(C(C)C)nnc2s1 32102833 DYDLGIGVKDOTBK-UHFFFAOYSA-N 341.465 4.408 0 40 EIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)cc1 32821000 XKIQZAPKRJZLJK-INIZCTEOSA-N 343.448 4.327 0 40 EIAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(C)cc1C 35622785 TTYDEXVRCGFGEX-UHFFFAOYSA-N 349.482 4.497 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(Br)c2)c1 40868548 FKFFURQYRZVPEG-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB CC(C)c1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 43192084 IZFIGUPMTBDGPO-UHFFFAOYSA-N 348.450 4.377 0 40 EIAB CN(C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1)C(C1CC1)C1CC1 51587835 GXYSXELTYDFROJ-UHFFFAOYSA-N 343.471 4.324 0 40 EIAB CCC[C@@H]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 61297884 QRXZAZVFTLOAKB-MRXNPFEDSA-N 325.456 4.289 0 40 EIAB Cc1cc(CNC(=O)c2cc(-c3ccco3)on2)c2[nH]c(C)c(C)c2c1 65738311 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CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)cc1 223731188 MCOLEUZQBSXKHG-MRXNPFEDSA-N 333.815 4.238 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1F 225394230 BDWNVOKDMQBSJH-MRXNPFEDSA-N 343.398 4.175 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)Nc2ccc(C)cc2)c1 225453857 LDTQWUNVPCBIPT-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@H]3[C@H]12 257173272 IBROMFNXVVTFTM-GFOJFJKKSA-N 348.446 4.426 0 40 EIAB Cc1ccc(CCCC(=O)Nc2cnn(Cc3ccccc3)c2)s1 257173520 PNGPZSARXRDAEW-UHFFFAOYSA-N 339.464 4.263 0 40 EIAB CCOc1cccc(NC(=S)NCCCN2CCCC[C@H]2CC)c1 260735438 IIVLPYSAUFAIGJ-QGZVFWFLSA-N 349.544 4.026 0 40 EIAB COc1cc(C)c(NC(=O)N2CCC[C@H]2c2ccccn2)c(C)c1C 563877827 MCFKZOIHAKGHHQ-KRWDZBQOSA-N 339.439 4.384 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 363166 STMTWAJTJQDXGK-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1 1018860 BTYNXWOIOHLARF-UHFFFAOYSA-N 341.889 4.220 0 40 EIAB CCc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)cc1 2622761 XKSXXVIIZKGVLZ-UHFFFAOYSA-N 330.434 4.336 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)n1 2624062 ZCRUTUHEEQGRJR-UHFFFAOYSA-N 335.860 4.094 0 40 EIAB CC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C 2658841 UYFQWFGNPZIZOI-UHFFFAOYSA-N 346.452 4.103 0 40 EIAB Cc1cc(F)ccc1NCC(=O)NC(c1ccccc1)c1ccccc1 3326926 FLWHDPDGQUZHBY-UHFFFAOYSA-N 348.421 4.452 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC1CCCCC1 3456107 AEMGYSOWBGQIOJ-UHFFFAOYSA-N 331.847 4.144 0 40 EIAB CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 3896708 SJALNXBEQFPSCK-INIZCTEOSA-N 335.451 4.289 0 40 EIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2F)c1 4120313 IKXMBGYZXCHQKL-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 4816493 CDSJKPYQZWHOFL-MOPGFXCFSA-N 346.434 4.064 0 40 EIAB O=C1CCCC[C@@H]1Sc1nn(-c2ccc(F)cc2)c(=S)s1 5175989 RBVOGULSVMAVGE-LBPRGKRZSA-N 340.470 4.406 0 40 EIAB CC[C@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 6120971 AZUYEPLGNXSTQM-ZDUSSCGKSA-N 348.402 4.159 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3oc4ccccc4c3C)o2)cc1 6825384 XYMBEFNQWOUAOS-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB O[C@@H](CNC1CCCCCC1)COc1cc(Cl)ccc1Cl 7004289 RBIXUIIURUDCTA-AWEZNQCLSA-N 332.271 4.046 0 40 EIAB O=S(=O)(Nc1cc(Cl)ccc1F)c1ccc2ccccc2c1 7403662 GAVCNPJEGCXGBQ-UHFFFAOYSA-N 335.787 4.433 0 40 EIAB CCOc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C)cc1 8404017 UQKKUDDCZHFOJA-ZDUSSCGKSA-N 340.448 4.336 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1C 8434652 YJPGBIHEJRCPGX-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c(Cl)c1 9689918 QDGXIDXOZXFTAZ-SJKOYZFVSA-N 331.799 4.124 0 40 EIAB COc1cccc2cc(/C=C/C(=O)N3CCc4sccc4C3)oc12 10924849 NETDIWRXMXDZGD-AATRIKPKSA-N 339.416 4.101 0 40 EIAB COc1ccccc1-c1noc(CNc2ccc(C)cc2Cl)n1 11154076 OGDVNCKNQBSABG-UHFFFAOYSA-N 329.787 4.319 0 40 EIAB CC(C)/N=c1\ccccn1C(=O)C(c1ccccc1)c1ccccc1 11374263 RFFUMMVGJHWFSK-BSYVCWPDSA-N 330.431 4.270 0 40 EIAB Clc1cccnc1SCc1cc(Cl)c2c(c1)OCCO2 12553205 MKGJXJJXKNOHBA-UHFFFAOYSA-N 328.220 4.452 0 40 EIAB Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)c1 13494880 MOLVBCJFGQUCHB-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB Cc1ccc(-n2ncc3c2C[C@@H](c2cc(F)cc(F)c2)CC3=O)cc1 17070973 PANPFGGHIIVGPQ-CQSZACIVSA-N 338.357 4.372 0 40 EIAB O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 20100698 MYLQXOYIBATBKE-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccccc2)no1 21122546 GFPPCSDDNRRWBP-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB C[C@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccccc1 22314067 WBGKAEFJBQWHLK-ZDUSSCGKSA-N 337.341 4.257 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)C1CC1 23864889 BWJHZWYONQOHSB-CYBMUJFWSA-N 337.448 4.129 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)c1cc(-c2ccco2)on1 24613067 WGORNTKMHPXSMT-UHFFFAOYSA-N 337.379 4.177 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 25091018 RZXXZEQRTVYVKJ-LBPRGKRZSA-N 337.810 4.322 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1 25598603 GNSYWHOWLSTKNW-UHFFFAOYSA-N 349.434 4.298 0 40 EIAB CCc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 26843980 MGCKJHLLBQKXLS-UHFFFAOYSA-N 333.453 4.182 0 40 EIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1c(F)cccc1F 27142473 VUZNRTPESQIWRM-UHFFFAOYSA-N 330.378 4.203 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(Cl)cc1 30854454 YOBAVKOHYCSYBA-GOSISDBHSA-N 331.843 4.431 0 40 EIAB Cc1cccc(-n2nnnc2C2(Nc3ccccc3C)CCCC2)c1 35622137 FQCRSKWGYKDFMM-UHFFFAOYSA-N 333.439 4.161 0 40 EIAB COc1ccc(Cl)cc1C(=O)c1ccc(Br)cc1 37357989 ITIXEORZQGNMAO-UHFFFAOYSA-N 325.589 4.342 0 40 EIAB Cc1nc(C)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)s1 39995726 BYWCNZCAXGPZPR-UHFFFAOYSA-N 343.496 4.022 0 40 EIAB Cc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44839361 VFLSHEJQZXPJIF-UHFFFAOYSA-N 341.414 4.468 0 40 EIAB Cc1noc(C)c1CN(C)Cc1csc(-c2ccc(F)cc2)n1 46060617 FTFRXBGCUPZVOT-UHFFFAOYSA-N 331.416 4.186 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H](COCc2ccccc2)C1 49031504 QIMLAMRGEHTBRT-INIZCTEOSA-N 345.389 4.034 0 40 EIAB Cc1noc([C@@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 52993770 QLPWQUWDYKRJDC-SNVBAGLBSA-N 346.818 4.113 0 40 EIAB CN1CCCC[C@H]1CCSc1ncnc2sc3c(c12)CCC3 57744745 DARHBHGSQTUARE-LBPRGKRZSA-N 333.526 4.147 0 40 EIAB CC(=O)c1cccc(NC(=O)CNC(C)(C)c2ccc(Cl)cc2)c1 57846457 YTHYIGNPHYZFPQ-UHFFFAOYSA-N 344.842 4.006 0 40 EIAB CCOc1ccccc1C(=O)Nc1ncccc1OCc1ccccc1 68732603 QUKUMGZXHYOSKK-UHFFFAOYSA-N 348.402 4.312 0 40 EIAB Cc1nccn1[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 69952238 WZTAJVKQLRIFEB-OAQYLSRUSA-N 347.462 4.141 0 40 EIAB Cc1cccc(-c2nc(-c3cc(Br)cs3)no2)c1O 71306188 WMQVCEBKGZDZDI-UHFFFAOYSA-N 337.198 4.242 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N[C@@H](C)c3ccncc3)cc2)n1 72076353 QMXDUGCBRHRVLD-ZDUSSCGKSA-N 338.436 4.396 0 40 EIAB Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72358570 LTTYUSJKJMFKDN-FQEVSTJZSA-N 344.462 4.227 0 40 EIAB Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C2CCNCC2)n1 72361066 FFHSNZPOBDTDPG-UHFFFAOYSA-N 337.345 4.063 0 40 EIAB COc1ccc([C@@H](NC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1 75956339 DOMVSHCGRSCDOX-IBGZPJMESA-N 339.439 4.034 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)NCc3nc(C)c(C)s3)c2)o1 78937378 GGRIRZOOQAJPOY-UHFFFAOYSA-N 342.424 4.045 0 40 EIAB O=[S@@](C/C=C/c1ccccc1)Cc1csc(-c2ccco2)n1 84517580 IJFHHJNPRZDGSV-QNBZTBGESA-N 329.446 4.365 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)N[C@H]1CCc2ccccc21 84581886 DZSFVZVQMUEXNM-SFHVURJKSA-N 346.390 4.078 0 40 EIAB Cc1ccc2c(C3CCN(C(=O)c4ccncc4F)CC3)c[nH]c2c1 95400516 PRZCBWOPLSXDJN-UHFFFAOYSA-N 337.398 4.030 0 40 EIAB O=[S@@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1 95419050 YLGSVHOKJCRKNA-QFIPXVFZSA-N 345.411 4.488 0 40 EIAB CC[C@@H](C)n1nc(NC(=O)C2(c3ccc(C)c(OC)c3)CC2)cc1C 95463240 INISISCWDKMSNN-CQSZACIVSA-N 341.455 4.150 0 40 EIAB CCCCc1nc(C)sc1C(=O)N1CCO[C@H](c2ccccc2)C1 95472911 IRYLDHIREBYPEV-KRWDZBQOSA-N 344.480 4.008 0 40 EIAB C[C@@H]1CN(C(=O)c2ccnc(Oc3ccccc3)c2)c2ccccc2O1 95957299 ZHVJZBMRTREFEN-OAHLLOKOSA-N 346.386 4.302 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(NC(C)=O)c1 96417938 YYUYYXHJYNVSQH-SFHVURJKSA-N 340.427 4.045 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2OC(C)C)c(C)c1 96659575 LLIDGQDNZPMKRP-UHFFFAOYSA-N 333.453 4.200 0 40 EIAB CC(C)NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 196385692 SVOQWFIOAFGOFM-UHFFFAOYSA-N 328.195 4.304 0 40 EIAB Nc1cc(Cl)c(N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 216881890 MOQRXTMKRXFNAT-UHFFFAOYSA-N 340.229 4.041 0 40 EIAB CCOc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218923726 CAQVEMKDVMUNQL-UHFFFAOYSA-N 347.842 4.051 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccc(Cl)c2)S1 222559113 GLFJGAVLFDYZGY-RLCCDNCMSA-N 329.856 4.324 0 40 EIAB O=C(CCc1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 222910061 VWMTZKFCQDKJPM-UHFFFAOYSA-N 325.305 4.094 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222950707 NFOCNPRWBUOJCC-MRXNPFEDSA-N 343.492 4.054 0 40 EIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223369462 VOZHXXDXURKKLR-RBUKOAKNSA-N 349.459 4.156 0 40 EIAB CC(C)NC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225477317 TYOTXUSGWNVIBI-UHFFFAOYSA-N 337.345 4.169 0 40 EIAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(C)cc1 225484534 DWQQWCSQIIYOJS-QGZVFWFLSA-N 342.464 4.219 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1N1CCCC1=O 225632930 MOSKBCWZTOYJNO-UHFFFAOYSA-N 348.446 4.253 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 226097301 WCUPJLIRPCIUJY-UHFFFAOYSA-N 335.407 4.345 0 40 EIAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)c1 408809769 HZFAWHUJHGEICL-WJDWOHSUSA-N 325.389 4.245 0 40 EIAB CC(C)[C@@H](NCc1ncccc1Cl)[C@@H](O)c1ccc(Cl)cc1 528561324 QIEWCORJUPEDJB-SJORKVTESA-N 339.266 4.236 0 40 EIAB CC(C)c1nc2cc(NC(=O)c3cccc4ccc(O)nc34)ccc2o1 575162669 FXJRMDUOIZXPCL-UHFFFAOYSA-N 347.374 4.457 0 40 EIAB CCOc1ccc(CC(=O)NCc2ccc(-c3ccsc3)o2)cc1 575611883 ZQXHBHMLNBFYCV-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB O=C(N=c1cc(-c2ccccc2)[nH]c2ccccc12)c1cncs1 642082468 RXLJEMCHUMBAFW-UHFFFAOYSA-N 331.400 4.033 0 40 EIAB Cc1ccc(C(C)(C)C)c(OCc2nnc([C@H]3CCCOC3)o2)c1F 643650426 WZCAZGOPXZNXGA-ZDUSSCGKSA-N 348.418 4.288 0 40 EIAB O=C(NCC1(c2ccsc2)CC1)c1cccc(C(F)(F)F)c1 1889010330 IWPCUVOSRKOMRC-UHFFFAOYSA-N 325.355 4.229 0 40 EIAB CC[C@H]1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1Cl 67537 MILOBUVTNWAYKD-NSHDSACASA-N 345.295 4.273 0 40 EIAB Cc1sc2ncnc(SCC(=O)c3ccccc3F)c2c1C 90031 JKGGYIUEZILMRV-UHFFFAOYSA-N 332.425 4.422 0 40 EIAB COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC 361926 LPSNHFCWSAABIN-UHFFFAOYSA-N 337.375 4.118 0 40 EIAB Cc1ccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)cc1C 545378 OHGSEAYIQKHSJI-UHFFFAOYSA-N 346.438 4.128 0 40 EIAB O=C(CCc1ccccc1)NCCc1c[nH]c2ccc(Cl)cc12 2206127 JJMJTABRFZJMOA-UHFFFAOYSA-N 326.827 4.113 0 40 EIAB CC(=O)[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(C)c1 2616073 CNKAGKCCPQCILE-SFHVURJKSA-N 329.827 4.343 0 40 EIAB c1ccc([C@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786331 XOPZBOGDGAAQJL-ZIAGYGMSSA-N 332.432 4.099 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccn(COc2ccccc2)n1 2797819 OJRUBQQJLPVHHT-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1 3204857 LTJMZOOBDXPSDX-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB c1ccc(-n2nnnc2Oc2ccc3oc4ccccc4c3c2)cc1 3317337 WDIPRDNQWPBFOA-UHFFFAOYSA-N 328.331 4.354 0 40 EIAB Cc1cc(OCC(=O)NCc2ccccc2)c(C(C)C)cc1Cl 3579064 AEWOZYJGYJIIOQ-UHFFFAOYSA-N 331.843 4.467 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 5465967 SYEKAHNDTBZWCI-UHFFFAOYSA-N 345.826 4.478 0 40 EIAB CCCn1c(SCc2cccc(OC)c2)nc2ccccc2c1=O 6609695 HSYZFTDHGMLKFN-UHFFFAOYSA-N 340.448 4.107 0 40 EIAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 7811938 BNVNGPYGYNSMGN-ROUUACIJSA-N 336.479 4.194 0 40 EIAB O=C(CCc1nc2ccccc2o1)N[C@@H]1CCSc2ccccc21 8156255 OBPRZHGJKORSKD-CQSZACIVSA-N 338.432 4.114 0 40 EIAB CNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 8377340 DFGKVPMHENCBSC-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 8560923 KQHGYTCEWOKSKC-UHFFFAOYSA-N 341.407 4.293 0 40 EIAB CCc1noc(C)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 9364742 LSSSSEOMYBIYNB-UHFFFAOYSA-N 349.362 4.199 0 40 EIAB CC(C)C[C@H](NC(=O)CN1CCc2sccc2C1)c1ccccc1 10093992 DNSVFIOMQZWQLE-SFHVURJKSA-N 342.508 4.010 0 40 EIAB Cc1cc(NC(=S)Nc2ccc(F)cc2)ccc1N1CCCC1=O 10951249 CZQYIGGEPKWIJD-UHFFFAOYSA-N 343.427 4.070 0 40 EIAB CCCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 11916429 USFHNXDPZCYVST-UHFFFAOYSA-N 348.815 4.051 0 40 EIAB Cc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c(C(C)(C)C)c1 12170256 NGLDSLCGXAOBKG-FGTMMUONSA-N 333.516 4.010 0 40 EIAB O=C(NCCCn1cnc2ccccc21)c1cc(Cl)cc(Cl)c1 12559922 ZZYHHGCFDMXZMJ-UHFFFAOYSA-N 348.233 4.163 0 40 EIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(C)c1 12562720 MNKNYVIYSABVKA-JXFKEZNVSA-N 336.435 4.049 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(C)c(C)c2)c1 12821766 SGWSGTGDZHWKNJ-UHFFFAOYSA-N 343.423 4.118 0 40 EIAB O=c1oc2ccc(F)cc2cc1-c1nc(-c2ccc(Cl)cc2)no1 12946009 VJGDRGOMIYOTJH-UHFFFAOYSA-N 342.713 4.303 0 40 EIAB COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 13864634 LJADKHFBAHDMDH-UHFFFAOYSA-N 332.359 4.131 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1F 14244066 WDTZGLSLDUFCPV-GHMZBOCLSA-N 339.769 4.263 0 40 EIAB Cc1ccc(-c2nc(COc3ccc4c(c3)OCO4)cs2)cc1 15108771 LIKRVFAKTXYVIS-UHFFFAOYSA-N 325.389 4.426 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 21875534 VIBFWOKNIWHBBN-CJNGLKHVSA-N 342.464 4.309 0 40 EIAB O=C(Nc1cccc(Cl)c1F)c1cccnc1OCC(F)(F)F 24674799 ABXHLJKLBFWZQW-UHFFFAOYSA-N 348.683 4.068 0 40 EIAB CC(C)CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 25313864 CKUPQUUWBRKTGL-UHFFFAOYSA-N 333.435 4.463 0 40 EIAB CC(=O)N1CCc2cc(Nc3ncnc4c3oc3ccccc34)ccc21 25370271 YMDCXIRADOHTBD-UHFFFAOYSA-N 344.374 4.029 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)s1)O[C@H](C)C2 26886632 IQTVQVAVDUHMNJ-LLVKDONJSA-N 331.437 4.339 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 30512513 KPXYBLWYQZJFAF-UHFFFAOYSA-N 336.819 4.486 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)on1 32932472 WKRDWRGVYONYHM-ZDUSSCGKSA-N 325.195 4.267 0 40 EIAB O=C(NCC1CCCCC1)c1sc2ncccc2c1-n1cccc1 33298007 MGYUXJSSFUKHKW-UHFFFAOYSA-N 339.464 4.397 0 40 EIAB O=C(Cc1noc2ccccc12)O[C@@H](c1ccccc1)c1ccccn1 44613292 FTYAIFOCQQDGHH-NRFANRHFSA-N 344.370 4.098 0 40 EIAB CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 48356154 QMQPNLSSNGPGFQ-UHFFFAOYSA-N 349.459 4.405 0 40 EIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(F)cc1F 48417490 BEEWVWWMJSMOSC-YRNVUSSQSA-N 344.748 4.272 0 40 EIAB CC(C)N(Cc1cnn(C)c1)Cc1ccc(Cl)c2cccnc12 55919144 GILBUXXPAYOBJQ-UHFFFAOYSA-N 328.847 4.032 0 40 EIAB C[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2)[nH]c1=S 57451892 JFICNSMYHHXVDX-GFCCVEGCSA-N 342.493 4.246 0 40 EIAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N(C)C1CCCC1 58369704 YPCOEBUPIBHESR-UHFFFAOYSA-N 342.464 4.039 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]1c1ccc(F)cc1 58427561 CAAFPJWAWHRRBU-LJQANCHMSA-N 347.393 4.260 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 66803636 RFGATRLNHZLQMV-UHFFFAOYSA-N 346.434 4.096 0 40 EIAB CCn1nc(C)c(CCC(=O)Nc2nc3c(C)cccc3s2)c1C 71195406 LAKBALDDMLQJIF-UHFFFAOYSA-N 342.468 4.009 0 40 EIAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1OC 71284627 XRLRXGNNSNTAOG-OAHLLOKOSA-N 347.440 4.073 0 40 EIAB Cc1nc(Cc2nnc(S[C@@H]3CCc4ccc(F)cc43)o2)cs1 72312854 BBPJHAVLVZKCRE-CQSZACIVSA-N 347.440 4.344 0 40 EIAB Fc1ccc([C@H]2C[C@@H]3CN(Cc4cccs4)C[C@]34CCCN24)cc1 72342197 KYELLYOWCJKDFN-NSISKUIASA-N 342.483 4.299 0 40 EIAB Cc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCCC2)cn1 78648556 QHHOYWSPQPTXEN-UHFFFAOYSA-N 340.442 4.086 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)c1 85806622 NDPBJPKQDCCSSD-KRWDZBQOSA-N 349.390 4.013 0 40 EIAB COc1ccc(Cl)cc1[C@@H](C)N[C@@H](CCO)c1cccs1 95423031 NCBVCTKAWAGWEQ-RISCZKNCSA-N 325.861 4.184 0 40 EIAB CC(C)c1ncc(C(=O)Nc2nc(-c3ccsc3)ns2)s1 95430953 PZYSTQIABTZBEU-UHFFFAOYSA-N 336.467 4.099 0 40 EIAB CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(C)=O)c2)s1 96433688 RPVWTOPBKHMNHY-LBPRGKRZSA-N 345.468 4.441 0 40 EIAB Cc1cc(NC(=O)NCCC(F)(F)F)ccc1Oc1cccnc1 96434311 FGWBKCWCVYOYMP-UHFFFAOYSA-N 339.317 4.256 0 40 EIAB CC(C)[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 96478025 CQMSTLFMGHXWRX-IIBYNOLFSA-N 337.467 4.256 0 40 EIAB COc1ccccc1/C=C/CN1[C@@H]2CC[C@@H]1c1cnc(C3CC3)nc1C2 100205122 VGCVQVFKXOAJHX-OPECEQKHSA-N 347.462 4.138 0 40 EIAB Cc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 100951436 FKKRMRRHOYICRY-MRXNPFEDSA-N 340.789 4.435 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1OC(F)(F)F 108986433 QUGPLYFWGWULSF-SGMGOOAPSA-N 327.346 4.028 0 40 EIAB Cc1cccc(OCC(=O)NCCCc2ccc(Cl)cc2)c1C 222817918 SAUIDWXZBVWOSZ-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)CSc1ccccc1 223666570 ZYHUXPOZQPWGTD-UHFFFAOYSA-N 343.492 4.271 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCSC2CCCC2)cc1 225442825 BHSFQQCBSNXETR-GOSISDBHSA-N 335.513 4.198 0 40 EIAB CCCCOc1ncc(NC(=O)C2(OCC)CCCCC2)cc1C 225899190 MUCPRLMPDAIYOM-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccc(F)cc3)C2)n1 257261988 LJOBWAGTQBWDSD-INIZCTEOSA-N 337.398 4.174 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2c[nH]c3ccccc23)S1 260784374 WAAYIKXBXNEMJD-OCBCSQNSSA-N 334.448 4.152 0 40 EIAB Cc1cc([C@H]2CCCN(C(=O)N[C@H](C)c3cc(C)sc3C)C2)[nH]n1 282423756 LZXHLTPAEIUWKL-HIFRSBDPSA-N 346.500 4.047 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 408557936 OWEBTTSOZINKKT-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1ccccc1C(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)C 526052148 ADJHFANEKBBQIM-KRWDZBQOSA-N 335.407 4.172 0 40 EIAB O=C(NCc1nccnc1-c1cccs1)Nc1ccccc1Cl 575619339 DKLCDDDAUGGXEW-UHFFFAOYSA-N 344.827 4.180 0 40 EIAB CC1=C(c2nc(-c3cc(Br)cs3)no2)SCCO1 585133630 NYBSIGVMRQXJKM-UHFFFAOYSA-N 345.243 4.013 0 40 EIAB CC(C)COC(=O)CN1CCc2ccccc2[C@H]1Cc1ccccc1 1644955769 MBLWAUHZGSTBKH-OAQYLSRUSA-N 337.463 4.028 0 40 EIAB O=C1N[C@@H](c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1 88352 BVIPZHBRIXVNFK-AWEZNQCLSA-N 339.445 4.122 0 40 EIAB O=C1N[C@H](c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1 88357 BVIPZHBRIXVNFK-CQSZACIVSA-N 339.445 4.122 0 40 EIAB CCOc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1OCC 93174 XQHWXDGJWHDDSP-UHFFFAOYSA-N 333.815 4.319 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C)C2 127464 OVEZUDMTMBOSLP-LBPRGKRZSA-N 343.448 4.302 0 40 EIAB Cc1cc2ccccc2nc1SCC(=O)Nc1nc(C)c(C)s1 416350 YRDHXLHZTQOKAZ-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1OC 1744704 FFSVYFSZKNJSFH-ZRDIBKRKSA-N 341.407 4.145 0 40 EIAB CCCOc1ccc(Cc2c(Cl)nc(SC)nc2NC)cc1 1823416 VZVVGSPVQJPWGL-UHFFFAOYSA-N 337.876 4.273 0 40 EIAB CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C 2331778 GSJZMTNYNNSREY-UHFFFAOYSA-N 326.421 4.006 0 40 EIAB C[C@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCCC1 3207158 YWYIJPAYNZMWDV-GUYCJALGSA-N 347.459 4.234 0 40 EIAB O=C(CSc1nc2cc(Cl)ccc2o1)NCC1CCCCC1 3266917 VSSPCPVCOYNRMQ-UHFFFAOYSA-N 338.860 4.270 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(OC(F)F)cc1 3274878 SZEGCUZOADMBFC-NSHDSACASA-N 334.391 4.436 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCCC2 3456139 HHLPEZXPOUATMG-UHFFFAOYSA-N 325.437 4.075 0 40 EIAB Cc1c(Cl)cccc1NCC(=O)Nc1ccc(Cl)cc1F 3487011 ZEVKVTLVSSXWPH-UHFFFAOYSA-N 327.186 4.492 0 40 EIAB Cc1nc(SCc2nnc(-c3cccs3)o2)c2ccccc2n1 4240487 RCJBDNUNFGDUCD-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854338 YBWJMJFPZRDGGM-LJQANCHMSA-N 341.430 4.075 0 40 EIAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1COc2ccccc2O1 5637035 CVEGEDLOSDRNCO-FQEVSTJZSA-N 332.355 4.099 0 40 EIAB CCN(CC)c1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 5695281 HTRCNZTXOXOIKL-INIZCTEOSA-N 325.456 4.280 0 40 EIAB CN1c2ccccc2C(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 6831066 ZYALFXPLVMIWJN-OAQYLSRUSA-N 344.414 4.144 0 40 EIAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(F)cc2)cs1 7918328 YFTABVHQNKASIR-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 8086128 FJHTUMSCUPHFQA-GFCCVEGCSA-N 333.790 4.319 0 40 EIAB Cc1c(C(=O)CSc2nnc(NC3CC3)s2)oc2ccccc12 9375929 OQWYSTQYBBMTDN-UHFFFAOYSA-N 345.449 4.142 0 40 EIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc2nccnc2c1 11692665 YXOWVWNBIHHDMI-FQEVSTJZSA-N 344.418 4.026 0 40 EIAB CCCc1ccc(CN2CCC(c3n[nH]c4ncccc34)CC2)s1 12221202 YMWFAGZKIKSXSE-UHFFFAOYSA-N 340.496 4.352 0 40 EIAB CCOc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12534351 VQFMEEUWECHLBD-NSHDSACASA-N 343.452 4.173 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nncc3ccccc23)c1 12822952 PJSVXLSVPXINHH-CQSZACIVSA-N 337.448 4.366 0 40 EIAB Cc1cnc(C(=O)Oc2ccc(Cl)cc2Cc2ccccc2)cn1 14725580 FHKSFMGQNQTMQZ-UHFFFAOYSA-N 338.794 4.248 0 40 EIAB COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2cccnc12 15840720 BMZRSOOKTLNVLU-UHFFFAOYSA-N 336.435 4.398 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc3ccccc3[nH]1)O[C@@H](C)C2 16303122 DNXRZASTAJBFBV-LBPRGKRZSA-N 336.391 4.142 0 40 EIAB CC1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 20044166 JCWGQKBXBWGUPJ-UHFFFAOYSA-N 332.296 4.485 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)cc1 20486256 FVTYVWBDESMZIB-SFHVURJKSA-N 347.842 4.001 0 40 EIAB c1ccc([C@H]2C[C@H](N3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 20719705 RQQFFNMHVWUEHQ-IIBYNOLFSA-N 337.419 4.142 0 40 EIAB Cc1ccc(C)c(NC(=O)c2c3c(nc4ccccc24)CCN(C)C3)c1 23866467 CYXDTVSESDUDNH-UHFFFAOYSA-N 345.446 4.092 0 40 EIAB Cc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(C)c1 27925940 QGHRLUFIEGMSRT-UHFFFAOYSA-N 348.450 4.428 0 40 EIAB CCc1cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc2s1 30860469 HJCWCVVSXDIZQP-CQSZACIVSA-N 333.844 4.053 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2OC)cc1 31820963 ILTSVISMMLIYHC-INIZCTEOSA-N 349.390 4.013 0 40 EIAB O=C(Nc1cccc2ccccc12)[C@@H]1CC(c2cccc(F)c2)=NO1 32833078 CRNQRRPOVXAZJH-IBGZPJMESA-N 334.350 4.111 0 40 EIAB O=C(NC1CCCC1)c1ccccc1-c1nc(-c2ccccc2)no1 33252356 VZXDFMPGMRMYDE-UHFFFAOYSA-N 333.391 4.076 0 40 EIAB O=C(Cc1csc(COc2ccccc2)n1)Nc1cccc(F)c1 33326306 GLPHGPBYTHPZPH-UHFFFAOYSA-N 342.395 4.042 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1Cl 38849701 FGTBJKDBJXIEEX-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB C[C@@H](NCc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 54203690 SIZDTNXPJGYTGQ-OAHLLOKOSA-N 349.409 4.324 0 40 EIAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccs1 55753026 ZLCWBHDDIPVDGH-UHFFFAOYSA-N 342.464 4.181 0 40 EIAB COc1c(CN[C@H](c2ccccc2)c2ccco2)c(C(C)C)nn1C 58419978 ZKXMJQWRLSCZDQ-LJQANCHMSA-N 339.439 4.024 0 40 EIAB COCc1ccc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)o1 71909809 JDYHIFDXCXREQT-UHFFFAOYSA-N 340.379 4.457 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1 71914717 YESPLMVEYOSPGE-UHFFFAOYSA-N 338.388 4.390 0 40 EIAB CC[C@H](C)Nc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72213466 IVFQGCDUVYLWKW-AWEZNQCLSA-N 349.475 4.170 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(c2nccs2)CC1 72318953 VONNPDNNWRCXMT-UHFFFAOYSA-N 343.496 4.430 0 40 EIAB Cc1ncsc1[C@@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 78763849 SUGGJIAZXZROHT-OAHLLOKOSA-N 333.844 4.081 0 40 EIAB Cc1c(C(=O)N[C@H](C)C[C@H](O)c2ccco2)sc2ccccc12 79107533 YDPCAOXOHDELFU-RISCZKNCSA-N 329.421 4.045 0 40 EIAB Cc1noc(C)c1N(C)C(=O)Nc1cccc(COC(C)C)c1C 89540400 QWKGWTJJTJSRAQ-UHFFFAOYSA-N 331.416 4.193 0 40 EIAB Cc1cc(N2CCCC[C@@H]2c2ccc(C(C)C)cc2)n2ncnc2n1 89598847 UZXBONXWQKKWGK-GOSISDBHSA-N 335.455 4.288 0 40 EIAB O=C(NCCC1=CCCCC1)Nc1nc(-c2ccsc2)ns1 95942271 QJNBRXUEFDJEAF-UHFFFAOYSA-N 334.470 4.279 0 40 EIAB O=C(Nc1cccc(OCc2cccnc2)c1)N1C[C@@H]2CC=CC[C@H]2C1 96434141 XIUCZAZMABKOOI-ROUUACIJSA-N 349.434 4.091 0 40 EIAB CCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccc(Cl)o1 97001822 FCLFMBVLAKCIGA-UHFFFAOYSA-N 330.856 4.106 0 40 EIAB Cc1ncsc1C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086537 KDTUQUKKFLSFTG-LBPRGKRZSA-N 340.370 4.100 0 40 EIAB C[C@@H](Nc1cccc(N2CCCNC2=O)c1)c1cc(F)c(F)c(F)c1 195552506 VZVOVBFHPVYNCT-LLVKDONJSA-N 349.356 4.197 0 40 EIAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c1 214461653 NXUZHVFMWLIJOY-GZTJUZNOSA-N 339.416 4.240 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1 222629927 CWLZWWDIASKFND-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB O=C(CCc1cccc2ccccc12)NCCSCc1ccco1 222664068 RJOPHXXEZHUWAC-UHFFFAOYSA-N 339.460 4.415 0 40 EIAB CCN(Cc1ccccc1)C(=O)Cc1cccc(Br)c1 225623119 UJUKFIGHNPQXFV-UHFFFAOYSA-N 332.241 4.040 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2c(C)cccc2C)c1 225765456 PNFOXPMPYFYDHA-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB Cc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3C)no2)C1 257344634 ZYCHEDMQEMHNJA-GOSISDBHSA-N 333.435 4.343 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1 408706162 WNHJSCVITSKYFK-KRWDZBQOSA-N 331.437 4.213 0 40 EIAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@H]2C12CC2 408758362 JFKCSDYZOZJPJX-HNBVOPMISA-N 341.410 4.055 0 40 EIAB O=C(c1ccc(Br)c(Cl)c1)C(F)(F)C(F)(F)F 575243248 ZOMZEYVPZNCUNN-UHFFFAOYSA-N 337.469 4.483 0 40 EIAB O=C(/C=C/c1ccoc1)NCCc1ccc(-c2ccsc2)s1 575414093 SKSWVSZUBLNPKY-DAFODLJHSA-N 329.446 4.442 0 40 EIAB Clc1cccnc1OC[C@@H]1CCCN(c2nccc3occc23)C1 2298220430 WZMDSWUXXVUMPC-CYBMUJFWSA-N 343.814 4.172 0 40 EIAB C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 355334 NHSJKBWBXNSWLY-IUODEOHRSA-N 338.289 4.323 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1Br 364282 GWWRMWMWOWGHCC-INIZCTEOSA-N 330.225 4.257 0 40 EIAB COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c(OC)c1 817738 MHUSQFUDTXFACO-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB CCOc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 1017414 POAWPQXZFKFUGW-UHFFFAOYSA-N 334.347 4.226 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 3565786 VJAQTZBMBGMPKC-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB COc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3603019 DNWGUADZQZHSGP-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB CCc1ccccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 4682327 HTARHESWTBPCJA-UHFFFAOYSA-N 342.464 4.163 0 40 EIAB Nc1cc2c(cc1Br)-c1ccc(Br)cc1C2 4823905 WSODBLGACLNUKG-UHFFFAOYSA-N 339.030 4.365 0 40 EIAB Cc1ccccc1-c1nnc2n1N=C(c1ccccc1Cl)CS2 5556367 RLTPMUKZJFFRFJ-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccccc3F)on2)cc1 6757694 ZILGTTIXGAEONR-CYBMUJFWSA-N 340.354 4.195 0 40 EIAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1C(C)C 7564692 DMQYHJPAHBWOSY-UHFFFAOYSA-N 345.424 4.304 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 8477668 OCXPNNNIRQCNEN-CQSZACIVSA-N 325.742 4.414 0 40 EIAB C[C@H](NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 8705704 QUAWRKLDABYIHT-JTQLQIEISA-N 336.844 4.002 0 40 EIAB Cc1ccc(CN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 13056795 RNLXNHMKWLJJSI-UHFFFAOYSA-N 336.357 4.084 0 40 EIAB CC(C)CSc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 13206946 XESXJIKWXUOSEL-UHFFFAOYSA-N 343.452 4.370 0 40 EIAB Cc1cccc(C)c1OCCNc1ccc(OC[C@H]2CCCO2)cc1 19738218 UXRSOWZBLMTWIY-HXUWFJFHSA-N 341.451 4.352 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCSC1CCCCC1 20456114 OOXTYSVLADXTIB-KRWDZBQOSA-N 335.513 4.335 0 40 EIAB COc1ccc(N[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c(OC)c1 21364306 KSKHBRHWBAXUDO-CYBMUJFWSA-N 338.407 4.177 0 40 EIAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl 25060467 BSOPOXJDYVOOHC-QPUJVOFHSA-N 341.707 4.469 0 40 EIAB COc1ccc([C@@](O)(CCN2CCCCC2)Cc2ccccc2)cc1 27346692 SLLKUDXKJKDDQD-JOCHJYFZSA-N 339.479 4.002 0 40 EIAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1Cl 27749189 IRVBFLMFFVSUNL-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB O=C(Nc1cc(F)ccc1F)c1ccc(Cn2cc(Cl)cn2)cc1 27969572 PQWSQBOFYIGDMQ-UHFFFAOYSA-N 347.752 4.115 0 40 EIAB Cc1sc2ncnc(NCc3cccc(Cn4ccnc4)c3)c2c1C 30587524 BVYMMSKBOMLQPT-UHFFFAOYSA-N 349.463 4.165 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1cccnc1)C1CC1 32335932 IGMNGIPOPAFHQB-UHFFFAOYSA-N 342.442 4.482 0 40 EIAB O=C(Nc1cc2ccccc2cc1C(=O)N1CCCCCC1)C1CC1 32784337 CMPTUAGJSLNPPF-UHFFFAOYSA-N 336.435 4.205 0 40 EIAB Cc1ccc(-c2nc(C(=O)Nc3ccc(CN(C)C)cc3)cs2)o1 32976798 XCYWUDKMLDGAHN-UHFFFAOYSA-N 341.436 4.025 0 40 EIAB Cc1ccc(NC(=O)NCCCCOc2ccc(F)cc2)c(C)c1 40024058 QJJAJSMBHDQOEH-UHFFFAOYSA-N 330.403 4.423 0 40 EIAB COc1ccccc1NC(=O)NCc1ccc(F)cc1C(F)(F)F 40095290 RDNVGQLQOWAONV-UHFFFAOYSA-N 342.292 4.175 0 40 EIAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(F)c(F)c(F)c3)c12 40287218 CAXUVZUVDDGBNQ-UHFFFAOYSA-N 349.312 4.324 0 40 EIAB COc1cccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 40485144 LXKCKLXCMRVZFM-GOSISDBHSA-N 335.407 4.082 0 40 EIAB O=C(Nc1ccccc1-c1cccs1)c1ccc(-n2cccn2)nc1 42697057 GMKAXRUVTYXKHY-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB O=C(NCCc1cccs1)Nc1ccc2oc(C3CC3)nc2c1 44309169 CLWKCTCZJHQGKA-UHFFFAOYSA-N 327.409 4.131 0 40 EIAB CC(C)OCc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 48345150 SULGAXNEQLUEON-UHFFFAOYSA-N 331.843 4.124 0 40 EIAB COc1ccc(Br)c(NC(=O)c2cccc(Cl)c2)c1 58174288 CIIOOJSXBLKOLK-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB Cc1c(C(=O)NCC2CCC2)sc2nc(C(F)(F)F)ccc12 58394178 XQIAEZGULOACDO-UHFFFAOYSA-N 328.359 4.153 0 40 EIAB Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 58416428 GKARAZIMGRXAJS-ACCUITESSA-N 349.478 4.100 0 40 EIAB Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 59349855 VGSCUAAYWMMTCS-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB CCOC1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)CC1 65491862 CQNPASOLYZUGEQ-UHFFFAOYSA-N 344.480 4.068 0 40 EIAB c1ccc(-c2nccc(Sc3nnc(-c4cccs4)o3)n2)cc1 68428136 JFQQPLITMYVGDR-UHFFFAOYSA-N 338.417 4.406 0 40 EIAB N=C(NCc1cccc(COCc2ccco2)c1)Nc1ccccc1 69350362 OUZSYNUVDVCFDQ-UHFFFAOYSA-N 335.407 4.133 0 40 EIAB Cc1c(/C=C2\SC(=O)N=C2Nc2cccc(Cl)c2)cnn1C 72400691 XAOPPRURFJWLDR-MLPAPPSSSA-N 332.816 4.100 0 40 EIAB CCOc1ccc(CNCC(C)(C)N[C@H](C)c2ccccc2)cc1 78725066 DNESPELDLGHKMY-QGZVFWFLSA-N 326.484 4.304 0 40 EIAB CCN(CC)c1nc2sc(C(=O)N3CCCCCC3)cc2s1 84774512 MQQCOJSYHOVJOK-UHFFFAOYSA-N 337.514 4.220 0 40 EIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1cccc(O)c1 89780607 PPHCULNHLPBHAW-INIZCTEOSA-N 338.388 4.038 0 40 EIAB C[C@@H]1CCCC[C@@H]1OCCNc1nn2cc(C(C)(C)C)nc2s1 95356618 KKISLHSVAZUMFC-OLZOCXBDSA-N 336.505 4.096 0 40 EIAB Cc1cc(C(=O)Nc2cccnc2N2CCCCC2)c(C)n1C(C)C 95369252 XEYRDTJXHPUUHH-UHFFFAOYSA-N 340.471 4.323 0 40 EIAB C[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccccc1OCc1ccccc1 95983758 QJBBUCADNSODJC-ZIFCJYIRSA-N 325.452 4.484 0 40 EIAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)no1 95998815 ZTDCOUQYZRAVIK-MRXNPFEDSA-N 328.416 4.144 0 40 EIAB CC(=O)c1csc(C(=O)Nc2c(C)noc2-c2ccccc2)c1 97376115 BFIZETPZVLFGBV-UHFFFAOYSA-N 326.377 4.166 0 40 EIAB O=C(Nc1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1)c1ccccc1 125220061 IKNZFLYCTQGVGB-QOKNQOGYSA-N 332.403 4.090 0 40 EIAB CSc1ccccc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222626211 JEGBUYYOIZUZMC-UHFFFAOYSA-N 339.395 4.257 0 40 EIAB COc1cccc(CCCNC(=O)C2(c3ccccc3)CCCC2)c1 224270341 ABHTZWNDCFPPGP-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(CSc2ccccc2)c1 224328153 XJJLHDIIIBDMGD-UHFFFAOYSA-N 329.465 4.470 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc(C)c1 224622075 OZTBXKJOIAJFNB-GOSISDBHSA-N 347.842 4.001 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)cc1 224984157 PPUCAFUWBMIMTK-UHFFFAOYSA-N 341.885 4.195 0 40 EIAB CCc1nc2cc(C(=O)NCc3cccc4ccccc34)ccc2n1C 225894781 LALOBHJKXYCOJY-UHFFFAOYSA-N 343.430 4.219 0 40 EIAB O=C(NCCSC1CCOCC1)c1ccc(-c2ccsc2)cc1 238841541 HVFPNCBJFMCOOT-UHFFFAOYSA-N 347.505 4.057 0 40 EIAB O=C(c1csc2ccccc12)[C@H](Br)CBr 379992508 YJVCZGRTVXLAGR-SECBINFHSA-N 348.059 4.242 0 40 EIAB O=S(=O)(Oc1ccccc1CNc1ccccc1)c1ccccc1 409109562 HFRFRFSLPXLBDI-UHFFFAOYSA-N 339.416 4.066 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 512713071 ZEZRWRHKYADSNU-UTKZUKDTSA-N 345.531 4.126 0 40 EIAB Cc1cc(C(=O)NC[C@H](c2csc3ccccc23)N(C)C)c(C)o1 575619451 FOFDORVYADDDAK-QGZVFWFLSA-N 342.464 4.144 0 40 EIAB CC(C)C[C@H]1COC(c2cccc(C3=N[C@@H](CC(C)C)CO3)c2)=N1 642814171 HDXFTNWCUVUHOS-ROUUACIJSA-N 328.456 4.070 0 40 EIAB C/C=C/c1cc(C)ccc1[C@H](C)[C@H](O)[C@@H](C)c1cc(O)c(C)c(=O)o1 1772591482 YGJPBGVCODIPCC-WPCZDTGYSA-N 342.435 4.263 0 40 EIAB O=C(/C=C/c1ccco1)NCCc1ccc(-c2cccs2)s1 1889271541 FRVJRFMZFJRWEQ-VMPITWQZSA-N 329.446 4.442 0 40 EIAB CCc1nccn1CC1CN(c2nc3c(C)cc(Cl)cc3s2)C1 2087148609 GPEWMRGWFPVAPG-UHFFFAOYSA-N 346.887 4.153 0 40 EIAB O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2c1ccc1ccccc21 519085 SOAZYYUSIFAIBW-LJQANCHMSA-N 332.355 4.318 0 40 EIAB biogenic COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1OC 1913923 XRZXVUSYEVTCFM-UHFFFAOYSA-N 343.423 4.118 0 40 EIAB C[C@@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)[C@@H]1C 4416272 DFNGAFHVTDGQKG-QCFAMHMHSA-N 341.495 4.400 0 40 EIAB CCCCOc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 4472112 PUOTVTZIULWAPR-AQTBWJFISA-N 339.366 4.349 0 40 EIAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1ccc(F)cc1 5003689 ZFRJBEJMVYQTNC-OQLLNIDSSA-N 346.358 4.071 0 40 EIAB Cc1occc1-c1nnc2sc(/C=C/c3ccc(F)cc3)nn12 5032106 ALUXVPJLEBLWDK-QPJJXVBHSA-N 326.356 4.064 0 40 EIAB CSc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1C 5186618 QUXIMUOPAGPLAP-UHFFFAOYSA-N 325.437 4.014 0 40 EIAB Cc1ccc(-c2nnn(Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 5230932 PVSNSBCASQEBCW-UHFFFAOYSA-N 347.447 4.129 0 40 EIAB O=C(O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 6242454 NIPJWORBQJXTGL-UHFFFAOYSA-N 330.796 4.127 0 40 EIAB Cc1ccc(Cl)c(NC(=O)COC(=O)[C@H]2CC=CCC2)c1Cl 6291620 CRBUJURJRBPKRL-NSHDSACASA-N 342.222 4.140 0 40 EIAB CCOc1ccc(Oc2ccc(NC(=S)NC3CC3)cc2)cc1 6335352 BODYXNGWJBXTQY-UHFFFAOYSA-N 328.437 4.326 0 40 EIAB COc1cc(COC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F 7509742 AGBXNAKRTJOEDH-UHFFFAOYSA-N 347.317 4.135 0 40 EIAB O=C(CN1CCCc2ccccc21)Nc1ccccc1C(F)(F)F 7588011 ZEQFXOYFQJDISM-UHFFFAOYSA-N 334.341 4.097 0 40 EIAB CC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)c(F)c1 8297682 YPBGMIJBSVYXOC-UHFFFAOYSA-N 328.368 4.280 0 40 EIAB COc1cc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1C 8767998 YXSRPAIYWDETKV-UHFFFAOYSA-N 339.313 4.083 0 40 EIAB Oc1cc(-c2ccccc2)nc(SCCOc2ccccc2F)n1 8856858 AWLVUGSKZBLQGF-UHFFFAOYSA-N 342.395 4.159 0 40 EIAB CC(=O)[C@@H](Sc1nnc(C)n1Cc1ccccc1)c1ccccc1 8944124 VUPMEBZVEOEWBE-GOSISDBHSA-N 337.448 4.057 0 40 EIAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccccc3)sc2c1 9140759 OYIXAFUPICGHIE-UHFFFAOYSA-N 341.461 4.040 0 40 EIAB Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)(C)C)c1 9233934 CYVOIEWWZILNSS-UHFFFAOYSA-N 348.446 4.277 0 40 EIAB O=C(CCCSc1nc2ccccc2[nH]1)NCCC1=CCCCC1 9915013 UVWRPYBAMHYZHN-UHFFFAOYSA-N 343.496 4.442 0 40 EIAB Cc1ccc(CCCNC(=O)CCCOc2ccc(C)cc2)cc1 10110585 CLVDPWIJHUYWFP-UHFFFAOYSA-N 325.452 4.211 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c2c1[C@@H](C)CC2=O 11052541 QYGOSPPRVAUKEV-LBPRGKRZSA-N 343.810 4.356 0 40 EIAB COc1ccc(-c2ncc(CNC3(c4cccc(F)c4)CC3)cn2)cc1 12238772 NKPVBLZAIQHAOT-UHFFFAOYSA-N 349.409 4.070 0 40 EIAB CSc1ccc(/C=C/C(=O)/N=c2/sc3ccccc3n2C)cc1 12563892 DBIQALPXZHQLJP-JCOSPNLWSA-N 340.473 4.102 0 40 EIAB Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1N1CCCC1 12608730 NHSMWIMDTZSJCS-UHFFFAOYSA-N 328.843 4.430 0 40 EIAB O=C(NCc1ccccc1OC(F)F)c1ccc(F)cc1Cl 12826123 MJWFAWIQRVCQHP-UHFFFAOYSA-N 329.705 4.011 0 40 EIAB Cc1ccccc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl 13040703 CYJOPCLETLXVLO-MDZDMXLPSA-N 331.847 4.461 0 40 EIAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(Cl)c2)n1 13495319 FJWNECOEUCFFHT-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB C[C@H](Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)c1ccccc1 14164101 JGLIAXIOJGMQMZ-NSHDSACASA-N 337.404 4.418 0 40 EIAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(=O)[nH]c2ccccc12 14182992 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30755676 YCCLRQBBFSPFPW-UHFFFAOYSA-N 334.463 4.264 0 40 EIAB COc1ccc([C@@]2(CCNCc3ccco3)CCOC(C)(C)C2)cc1 32124294 BHHCRSWSEUUBQK-NRFANRHFSA-N 343.467 4.295 0 40 EIAB biogenic Cc1cc(N)ccc1NC(=O)c1cc(Br)ccc1Cl 37287609 UKHXEVPRCCROQS-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CCOc1ccc(O[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc1 42081784 CTDWIJAQCFFCBU-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)s1 46293977 OFNHNODSCPVKIQ-SNVBAGLBSA-N 337.828 4.054 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-n1cccn1 48149716 UWHVZSCXBPGFEG-UHFFFAOYSA-N 340.814 4.190 0 40 EIAB O=C(CNc1cccc(Cl)c1F)N1CCC[C@H]1c1cccs1 52932941 DLKBKXIMLYCBOU-ZDUSSCGKSA-N 338.835 4.316 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)SCc1ccccc1 57677905 DAVJCYMUUBICMT-IAGOWNOFSA-N 327.493 4.446 0 40 EIAB C[C@H](c1nc(C2CC2)no1)N(C)Cc1ccccc1C(F)(F)F 59402470 HXLBYJKPOIMDQV-SNVBAGLBSA-N 325.334 4.159 0 40 EIAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccccc1 61002707 FFWYCORCENNOIE-UHFFFAOYSA-N 339.870 4.491 0 40 EIAB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc2cccnc12 65493112 KKXNESORCBSHHD-UHFFFAOYSA-N 335.382 4.226 0 40 EIAB c1ccc(COc2ccc(CN3CCOc4ccccc43)cc2)nc1 65950250 PCJBNNLOVLAZID-UHFFFAOYSA-N 332.403 4.060 0 40 EIAB O=C(C=C(C1CC1)C1CC1)Nc1ccccc1Sc1nncs1 69416721 XAQCEAWFQMDRRQ-UHFFFAOYSA-N 343.477 4.374 0 40 EIAB O=C(c1cccc(-n2cccc2)c1)N(C[C@H]1CCOC1)c1ccccc1 71805634 FJDOHGJBGRORCK-GOSISDBHSA-N 346.430 4.161 0 40 EIAB O=C(COc1ccccc1F)Nc1ccc(OC2CCCC2)cc1 71852313 GACUIWTVOJOOOE-UHFFFAOYSA-N 329.371 4.165 0 40 EIAB Cc1nc([C@H](C)NC(=O)N(Cc2ccco2)Cc2ccco2)cs1 72271608 LNAIEFJNUZFAGY-LBPRGKRZSA-N 345.424 4.111 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2cc(C)cc(C)c2)c(F)cc1F 75138325 XUPSKSKOCKCGMP-UHFFFAOYSA-N 333.338 4.184 0 40 EIAB c1ccc(-n2c(SC[C@@H]3CCCCO3)nc3c2CCCC3)cc1 84572810 YEQWYBVMKDGOCB-INIZCTEOSA-N 328.481 4.412 0 40 EIAB CCc1ccc([C@@H](C)NCc2ccccc2CN2CCCC2=O)s1 95420117 ZQMPGYXTIQYOMX-OAHLLOKOSA-N 342.508 4.284 0 40 EIAB CCCCCN1CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 96071381 DAZKHUZVMMRBNA-FQEVSTJZSA-N 329.488 4.339 0 40 EIAB Cc1csc([C@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 96478506 ZEFBQNGFORPTFK-FZKQIMNGSA-N 344.480 4.415 0 40 EIAB Cc1cccc(Oc2cc(CN[C@H](C)c3cnn(C)c3)ccn2)c1C 96478842 DCVAYYUFCFCQGL-MRXNPFEDSA-N 336.439 4.075 0 40 EIAB O=C(O)c1ccc(Oc2cc(-c3ccc(Cl)cc3)ncn2)cc1 96531093 HPHKHCABRSQUBZ-UHFFFAOYSA-N 326.739 4.288 0 40 EIAB Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100864356 SPTDNUYDNPCVID-UXXRCYHCSA-N 329.490 4.397 0 40 EIAB C[C@@H]1CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C2=C(O)C1 102602575 GXIMBOBVUBELFW-YMTOWFKASA-N 348.328 4.214 0 40 EIAB O=C([C@H]1C[C@@H]2C=C[C@@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 195530072 INWYLJANKLYLOW-NRSFXHEJSA-N 349.434 4.002 0 40 EIAB C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222994680 FIBGUDRXIDLUMS-CQSZACIVSA-N 343.854 4.475 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCOc1cc(C)ccc1C 224025698 VEUSJFIXAJRDGX-UHFFFAOYSA-N 349.430 4.274 0 40 EIAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COC 224689551 KHYZZRCQFFALIX-UHFFFAOYSA-N 331.437 4.206 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Sc1ccc(C)cc1)C(=O)O 225121524 YZOFCBPXLRNSCW-MRXNPFEDSA-N 336.840 4.445 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc3c2CCCC3)c(C)c1 225240918 YPLOSXYSMRWQKY-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB CC(C)NC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 225428752 XRMUGNYKGMDODT-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB CCOc1ccc(CCCNC(=S)Nc2ccc(C)cc2)cc1 225621207 JPKNVGXOGZCARH-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 225862050 ODJUUSLOFGFLGL-UHFFFAOYSA-N 328.387 4.070 0 40 EIAB COc1ccc(Cc2cnc([C@@H]3CCCN3Cc3ccccn3)o2)cc1 257266441 MDAPFPMXPXHPQC-FQEVSTJZSA-N 349.434 4.006 0 40 EIAB Cc1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260742349 VLZCXPKDDUIPCJ-MRXNPFEDSA-N 339.508 4.123 0 40 EIAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 408668918 RIGCFBQZLCFORM-GOSISDBHSA-N 345.398 4.107 0 40 EIAB CSc1ccccc1C(=O)NCCSCc1cccc(C)c1 409411245 VDMOWAMOIIXLJJ-UHFFFAOYSA-N 331.506 4.380 0 40 EIAB Cn1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)cn1 432998021 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CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 3559842 KUTBJWFHQJYRME-UHFFFAOYSA-N 329.421 4.056 0 40 EIAB CCCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1 4093690 DVUMVBBATRTLCP-UHFFFAOYSA-N 327.409 4.041 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)NCCc1ccc(F)cc1 5466007 CPRFXRMEOVHZKW-UHFFFAOYSA-N 349.405 4.230 0 40 EIAB CCCCCc1nnc(NC(=O)c2cnc(Cl)c(Cl)c2)s1 6786991 OZOFEOBQYUXYSN-UHFFFAOYSA-N 345.255 4.225 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)OCc1ccc(-n2cccn2)cc1 7254078 DZSPHWXTHGAPGU-UHFFFAOYSA-N 345.402 4.030 0 40 EIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 7338667 ZGXUZECSCKYLOC-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)ccc1OC 7608116 PNWSWCFDHFQZIK-PKNBQFBNSA-N 325.408 4.363 0 40 EIAB Cc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1C 8023858 DDDIJQWMJDFSJP-LPHOPBHVSA-N 342.439 4.377 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)CCc1ccccc1 8048848 BYGPINZQNXWYQO-XLIONFOSSA-N 325.452 4.290 0 40 EIAB Cc1occc1-c1nnc(Sc2ncnc3sc(C)c(C)c23)o1 8199421 RXOTVEKGXYETFJ-UHFFFAOYSA-N 344.421 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CSTHTWGJAPYKLP-UHFFFAOYSA-N 328.268 4.055 0 40 EIAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)c(F)c1 19551795 RESUQNKDKGIIPJ-INIZCTEOSA-N 348.468 4.426 0 40 EIAB N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F 19900329 PIRXOVWZBWSEMM-UHFFFAOYSA-N 345.421 4.352 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCCc2ccccc21 19934727 NVLRNAALWGMHLR-KRWDZBQOSA-N 329.827 4.477 0 40 EIAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1 20141896 JHZDYFXSLJUWMK-ZDUSSCGKSA-N 327.380 4.123 0 40 EIAB CCc1ccc(Cn2nccc2NC(=O)CCc2ccccc2)cc1 21599397 QNZNFWMSWCLESS-UHFFFAOYSA-N 333.435 4.065 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3c(C)noc3C(C)C)cc2)co1 23149848 LZTFKHXHZIWYPJ-UHFFFAOYSA-N 325.368 4.322 0 40 EIAB Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)[nH]1 23446267 LZIGNBDPSKWWKG-UHFFFAOYSA-N 348.402 4.146 0 40 EIAB Cc1ccccc1Cn1nc(C)c(NC(=O)Cc2ccccc2)c1C 27921984 WZMDSHYLSNZALQ-UHFFFAOYSA-N 333.435 4.038 0 40 EIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C)c(C)c1 28189414 FFFBHKJPSCRIIL-UHFFFAOYSA-N 341.436 4.077 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c1 36611949 VYYVLCABMMQUGB-MRXNPFEDSA-N 346.789 4.228 0 40 EIAB COc1ccccc1NC(=O)N(Cc1ccsc1)CC(F)(F)F 44447767 MWFMSLOPKJEEJZ-UHFFFAOYSA-N 344.358 4.353 0 40 EIAB CCCCOc1ccc2oc(C)c(C(=O)NCc3ccco3)c2c1 46085637 QJBGLQZSNXGDIK-UHFFFAOYSA-N 327.380 4.443 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 54672332 OIIPCDVJUNFUNN-UHFFFAOYSA-N 347.418 4.147 0 40 EIAB CC(C)c1nc(CCNC(=O)[C@@H](C)SCc2ccccc2)cs1 58246800 KIYNUXCCACNITB-CQSZACIVSA-N 348.537 4.247 0 40 EIAB O=C(CCSc1ccccn1)Nc1ccccc1C(F)(F)F 59564491 SQNAHWLYRZJVMR-UHFFFAOYSA-N 326.343 4.221 0 40 EIAB O[C@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc12 60342745 AUURWASIUZNMSJ-CABCVRRESA-N 325.437 4.074 0 40 EIAB CN(C(=O)[C@H]1Cc2ccccc2O1)C(c1ccccc1)c1ccccc1 69599700 YKLSFGRYQNCABE-OAQYLSRUSA-N 343.426 4.238 0 40 EIAB C[C@@H](NC(=S)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 71800064 FZEUGVKSXDJKFJ-CQSZACIVSA-N 335.476 4.162 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)SCc2cccc(C(F)(F)F)c2)no1 71877684 YYIPYZSIIHHPSL-SNVBAGLBSA-N 344.358 4.262 0 40 EIAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 72292896 PKACCFLIOCAQCS-KBXCAEBGSA-N 339.414 4.236 0 40 EIAB Fc1ccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 72358610 OTQZMHFPPGTBLJ-QGZVFWFLSA-N 348.425 4.057 0 40 EIAB Cc1nc(CSc2cccc[n+]2[O-])oc1-c1ccc(Cl)cc1 75108795 RXXQWWWOTSZXPW-UHFFFAOYSA-N 332.812 4.229 0 40 EIAB CSC1(CNC(=O)Nc2cc(Cl)ccc2Cl)CCOCC1 76068639 MTSKRNQVUHUDLH-UHFFFAOYSA-N 349.283 4.027 0 40 EIAB O=C(CSc1cccs1)N[C@H]1CCCOc2cc(F)ccc21 95464438 QFYNBWMEZJDCMW-ZDUSSCGKSA-N 337.441 4.009 0 40 EIAB NN[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 199533954 MUYYDGNFGCGJOH-ZDUSSCGKSA-N 334.263 4.277 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCS[C@@H](c2ccco2)CC1 207005241 AFEPDASAOVSQGP-OAHLLOKOSA-N 344.461 4.210 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 223008629 QUOZJTLYDABOTI-AWEZNQCLSA-N 347.455 4.052 0 40 EIAB Cc1cccc(CSCCNC(=O)CCc2ccccc2F)c1 224018740 CVQWNXSQIFUHQA-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB Cc1ccc(OCCNC(=O)Cc2ccccc2Cl)cc1Cl 224191667 LFNMSQFMJDAAMB-UHFFFAOYSA-N 338.234 4.040 0 40 EIAB COc1ccc(C(=O)NCC(C)C)cc1CSc1ccccc1 224321011 CZPHKMOKQBLESS-UHFFFAOYSA-N 329.465 4.373 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2cccc(Cl)c2)c1 225516213 CZEDCMVOBXGBBV-UHFFFAOYSA-N 331.843 4.160 0 40 EIAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1 225793352 XEGAWWJNDLZWED-UHFFFAOYSA-N 337.810 4.282 0 40 EIAB Cc1cccc(C2=CCN([C@H](C(=O)O)c3ccc(F)cc3)CC2)c1 577184051 IQLWIFUNRUVXQA-IBGZPJMESA-N 325.383 4.049 0 40 EIAB O=C(Nc1cnc(C2CC2)nc1)N1CC2(CCC2)[C@@H]1c1ccccc1 645002849 XXJPKEXBIMLSPG-KRWDZBQOSA-N 334.423 4.113 0 40 EIAB CS(=O)(=O)Cc1ccccc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 1615623150 ZNKRJHRNKMMWRC-JSGCOSHPSA-N 349.418 4.012 0 40 EIAB Cc1cccc(OC[C@@H]2CCCN(Cc3csc(C4CC4)n3)C2)n1 1888853159 DKBRGNAQJLOYHI-OAHLLOKOSA-N 343.496 4.015 0 40 EIAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1 267141 FTBDVVROUWSPFD-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)N1CCC[C@@H](C)C1 413292 IZHFILFFIVDSOW-CQSZACIVSA-N 328.481 4.148 0 40 EIAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccs3)n2)c1 418139 NVJXBODJVRENJG-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB COc1cc(OC)c2c(c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C 491363 PEFHPBRNPWDAPU-OAQYLSRUSA-N 337.419 4.233 0 40 EIAB biogenic CCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 534581 JJGJNAFYZKTREZ-MRXNPFEDSA-N 333.435 4.275 0 40 EIAB C[C@@]1(c2ccccc2)c2ccccc2N(c2ccccc2)C(=O)[C@H]1O 1564176 OZBIGUBWSLDSBU-IFMALSPDSA-N 329.399 4.032 0 40 EIAB CC[C@@H](C)OC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887749 OJOAUWXWKLPXLM-OBUJGBQQSA-N 336.431 4.485 0 40 EIAB O=C(O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl 5679179 NWELFBBPILOGIQ-UHFFFAOYSA-N 325.147 4.049 0 40 EIAB O=C(COC(=O)CC1CCCCC1)Nc1c(Cl)cccc1Cl 6886388 FWVSAKQPDJMFGZ-UHFFFAOYSA-N 344.238 4.446 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2cccs2)no1 7071783 TWWVXCXWXPSUCF-UHFFFAOYSA-N 341.436 4.240 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)cs1 7117905 KKCABZLPEKBAJM-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB c1ccc(-c2cc(CSc3nnc(-c4ccco4)o3)no2)cc1 7328447 YVMVPLAVJKKTBX-UHFFFAOYSA-N 325.349 4.277 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(Nc3ccccc3)n2)cc1 8208280 RRFHNYZXCBIKER-UHFFFAOYSA-N 337.448 4.232 0 40 EIAB COc1ccc(Cl)c2c(O)c(CN3CCCC[C@@H]3C)c(C)nc12 8717470 GHIHOVVBHIOILI-NSHDSACASA-N 334.847 4.285 0 40 EIAB O=C(NC1CCCCC1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 9461493 RGWGQLBFUPUQLE-RRIFHVCJSA-N 330.299 4.291 0 40 EIAB Cc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1 10334562 KHNJIWCHLAZSJF-UHFFFAOYSA-N 333.884 4.490 0 40 EIAB Cc1cc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)cc(C)c1Cl 11915465 MEDHOMCSABAKQW-JTQLQIEISA-N 348.830 4.087 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(Br)c1 12523185 QLVANFSEVGYHDA-MRXNPFEDSA-N 345.240 4.426 0 40 EIAB Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C 12542547 GCNHCBKSDYYEKE-CYBMUJFWSA-N 334.366 4.344 0 40 EIAB CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(N(C)C)c1 12545213 PMUUKMPIFGNSHA-UHFFFAOYSA-N 336.435 4.333 0 40 EIAB O=C(CCC1CCCCC1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12550105 GHWPBUVQHNCBDI-GOSISDBHSA-N 325.456 4.170 0 40 EIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(F)cc1 12619070 AGUQMCMLIMPIRM-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB CN(Cn1ncsc1=S)C(c1ccccc1)c1ccccc1 12733838 UNTLAGVQANJAEJ-UHFFFAOYSA-N 327.478 4.353 0 40 EIAB Cc1ccc(-c2nnc(SCc3nc(CC(C)C)no3)o2)cc1C 12737822 HHWFGIABRNOVNW-UHFFFAOYSA-N 344.440 4.227 0 40 EIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2C)cc1 12929942 XHSVTXICHWNSFN-HXUWFJFHSA-N 338.451 4.088 0 40 EIAB O=c1[nH]c2c(-c3cccc(F)c3)sc(=S)n2c2ccccc12 15828614 JHERRUOJLMUFQC-UHFFFAOYSA-N 328.393 4.378 0 40 EIAB CC[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 16420656 ONNPPRPYVMAWSU-YJBOKZPZSA-N 342.508 4.243 0 40 EIAB O=C(Cc1ccccc1)NCCSCc1c(F)cccc1Cl 16478623 IWISQPQUUHSJQZ-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB Fc1cc2c(c(CN3CCCCC3)c1)O[C@H](c1ccccc1)OC2 16699006 BICCBKXFTNQVHV-HXUWFJFHSA-N 327.399 4.419 0 40 EIAB COc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 17207961 TYQBVFAEPCLITM-UHFFFAOYSA-N 339.846 4.099 0 40 EIAB CC[C@H]1CCCCN1c1nc(C)c2c(n1)C[C@H](c1ccco1)CC2=O 20673044 OVIRSBSCAZKDNJ-GJZGRUSLSA-N 339.439 4.060 0 40 EIAB Cc1ccsc1CNC(=O)c1occc1COc1ccccc1 23137916 YQFCLYBVWLJVQT-UHFFFAOYSA-N 327.405 4.159 0 40 EIAB Cc1cc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)no1 25137366 AUYXQYNMGUDFMV-UHFFFAOYSA-N 332.831 4.107 0 40 EIAB O=C(CCn1ccc2ccccc21)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25145278 OPDHFMAHHMLLGY-CABCVRRESA-N 338.373 4.269 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 25375201 BWTRTHZLMOJYHD-ZIAGYGMSSA-N 349.418 4.011 0 40 EIAB CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1ccc2ccccc2c1 25679388 VYXTZXFLSJBIEM-NRFANRHFSA-N 332.447 4.101 0 40 EIAB Cc1c(O)ccc2c(CN(C)[C@H](C)c3cccs3)cc(=O)oc12 27554848 GFDIADMBAODXEO-GFCCVEGCSA-N 329.421 4.062 0 40 EIAB CC[C@@H](C(=O)Nc1cnn(Cc2ccccc2F)c1)c1ccccc1 28220421 SJXBUENNGMCFTI-GOSISDBHSA-N 337.398 4.203 0 40 EIAB COc1ccc2cc(CN[C@H](CN(C)C)c3ccccc3)ccc2c1 28316805 CJPOUODQWCFDSQ-JOCHJYFZSA-N 334.463 4.241 0 40 EIAB CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1C1CC1 32328929 IJNCWXXDAHJPEM-UHFFFAOYSA-N 346.481 4.493 0 40 EIAB CCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccco3)c(C)c2c1 32593418 OIAPLYAEFLSFFT-UHFFFAOYSA-N 349.390 4.394 0 40 EIAB Cc1ccc2[nH]nc(C(=O)N[C@H](c3ccccc3)c3cccs3)c2c1 32814944 GWVKEIMGZAKDFD-GOSISDBHSA-N 347.443 4.452 0 40 EIAB CCOc1ccccc1NC(=O)CSc1cccc2cccnc12 33721465 SOLFSARRXZRMDO-UHFFFAOYSA-N 338.432 4.364 0 40 EIAB COC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc12 41146090 KGSYDZBLHGTOJJ-UHFFFAOYSA-N 345.402 4.094 0 40 EIAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 48274520 MAKCTTXFVIULRW-IBGZPJMESA-N 344.474 4.044 0 40 EIAB CC(C)[C@H](NCc1csc(-c2ncccn2)n1)c1ccc(F)cc1 48684758 ISWMRFCVWHYCRM-INIZCTEOSA-N 342.443 4.226 0 40 EIAB Cc1ccc(-c2noc(COC(=O)c3ccc(F)c(Cl)c3)n2)cc1 51315057 LVKAHWSAFAWICO-UHFFFAOYSA-N 346.745 4.195 0 40 EIAB CC(C)c1nc(CSc2nc(C3CC3)nc3ccccc23)no1 52891381 UNKPNISKLJJOTC-UHFFFAOYSA-N 326.425 4.306 0 40 EIAB CCOc1cc([C@H]2NCc3ccccc3-n3cccc32)ccc1OC 55211533 ITSQQZSECCPMNG-OAQYLSRUSA-N 334.419 4.077 0 40 EIAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3C3CCCCC3)cc2nc1C 55600004 NEQBBFDOEYUVHI-HXUWFJFHSA-N 337.467 4.432 0 40 EIAB COc1cccc(-c2nc(CN3CCc4ccccc4C3)cs2)c1 65534049 RXJFWROVABOSFO-UHFFFAOYSA-N 336.460 4.377 0 40 EIAB Fc1ccc(C2(c3nc(-c4cccc(F)c4)no3)CCOCC2)cc1 69972779 ASNIDOUKMGSVPG-UHFFFAOYSA-N 342.345 4.111 0 40 EIAB O=C(OC1CCCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 72273134 WLEAJXAGTUAKPC-HXUWFJFHSA-N 334.419 4.480 0 40 EIAB Cc1cccnc1[C@@H](NC(=O)Nc1ccc2ccn(C)c2c1)C(C)C 72303972 GFMKJDJCWSFOBH-SFHVURJKSA-N 336.439 4.401 0 40 EIAB Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)C1CCCCC1 72314169 JYEJMNIYXUSICO-GOSISDBHSA-N 326.440 4.218 0 40 EIAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@@H]2CCC[C@H]21 81548865 YDLSQDWRHIWYKT-SUMWQHHRSA-N 337.423 4.019 0 40 EIAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)O)cc1 95454285 KCKKJUIGOXUQJG-UHFFFAOYSA-N 341.451 4.056 0 40 EIAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1cccc(C(=O)N(C)C)c1 95455782 VBAOQHYUDALQEP-HUUCEWRRSA-N 340.442 4.035 0 40 EIAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cccs2)cc1 96061584 MTBWVTVIWVWSLI-VQTJNVASSA-N 327.493 4.360 0 40 EIAB O=S(=O)(Cc1ccccc1)NCc1ccccc1-c1ccsc1 96122965 HBJTWZBZICGDOG-UHFFFAOYSA-N 343.473 4.035 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cn2cccnc2n1 97111936 XPGZMUJWHGRYDH-ZDUSSCGKSA-N 349.463 4.012 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCC4)[C@@H]3C2=O)c(C)c1 100068897 OZIXVBVGNNNRFO-YKCBXCCJSA-N 333.431 4.095 0 40 EIAB Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 102165826 LJBOBFXTXNQJOL-BPQIPLTHSA-N 332.440 4.156 0 40 EIAB Nc1cc(-c2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)c1 146868124 ZFPWIQYREBXIQJ-UHFFFAOYSA-N 325.375 4.355 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC1(C)CCC1 153487453 SPNRLXPBICEEDX-UHFFFAOYSA-N 337.423 4.311 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCCCc2ccc(Cl)cc2)c1 218949942 RXFOVJWQKIJXPX-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc2ccccc2c1 222801670 PBOXEQGHEQFINW-IBGZPJMESA-N 337.394 4.453 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1cccc(Cl)c1 224142045 DWYNCWQAQBKSRV-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=S)NCCC(C)C 225193443 CAKIAVOWUUFNAD-UHFFFAOYSA-N 329.307 4.398 0 40 EIAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)cc1C 225714642 LRJNQBNXDVGYRR-INIZCTEOSA-N 342.464 4.470 0 40 EIAB CCc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225850376 XQVJPXBJKXYVLN-UHFFFAOYSA-N 325.481 4.400 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccnc(-c2cccnc2)c1 253475328 RKRZAWPHJDTMFY-VMPITWQZSA-N 349.821 4.127 0 40 EIAB COCCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 409243500 XBEGFLPFYTZZOP-KPKJPENVSA-N 346.235 4.066 0 40 EIAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC1CCCCC1 1775964421 RIWPWSQMLNPJNQ-KCUHQSDYSA-N 332.532 4.115 0 40 EIAB biogenic,in-vitro O=C1O[C@H](Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 100289 UTSJCZWPPQSFOW-HNNXBMFYSA-N 326.352 4.230 0 40 EIAB CCN(CC)C(=S)Sc1ncnc2sc3c(c12)CCCC3 127948 IQVRZFBUBDYIOX-UHFFFAOYSA-N 337.539 4.289 0 40 EIAB Cc1ccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 144794 LKKCFYTUZAYCQM-UHFFFAOYSA-N 338.359 4.455 0 40 EIAB CCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 210969 JURGVNFHNNXRBX-UHFFFAOYSA-N 338.432 4.364 0 40 EIAB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 382414 IOZWRQMAQAOQRO-HXUWFJFHSA-N 347.418 4.234 0 40 EIAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1C(F)(F)F 430192 QPERFJVAKYXMKK-ZROIWOOFSA-N 335.256 4.189 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCC2 483648 PVNDHXPJHKAYGP-UHFFFAOYSA-N 347.436 4.347 0 40 EIAB O=CN1Cc2[nH]c3ccccc3c2N(c2ccc(Cl)cc2)C1=O 527872 IFBCMEZZZVSJEL-UHFFFAOYSA-N 325.755 4.051 0 40 EIAB COc1cccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1OC 818049 UILJXDUYHZSOEU-NRFANRHFSA-N 349.434 4.465 0 40 EIAB CCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 915472 FCPKJKSFKBOQNH-UHFFFAOYSA-N 330.840 4.362 0 40 EIAB Cc1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 2795860 DSWSDGJXFVQPRL-UHFFFAOYSA-N 339.700 4.468 0 40 EIAB COc1cnc(-c2ccccn2)nc1Oc1cccc(C(F)(F)F)c1 3128551 QJSZZFDOHFELDJ-UHFFFAOYSA-N 347.296 4.358 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)nc1C 3287495 SOOWMGKXTIYILY-UHFFFAOYSA-N 340.404 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COc1ccccc1CNc1ncc(-c2cc(C)no2)c(C(C)C)n1 12186892 GCGRITQUUHZIDQ-UHFFFAOYSA-N 338.411 4.184 0 40 EIAB CC[C@H]1c2cccn2CCN1C(=O)c1ccc2nc(C)sc2c1 12325204 SLSURJUZJJRCPJ-HNNXBMFYSA-N 325.437 4.013 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1ccccc1OC[C@H]1CCCO1 12748061 WMXLRQZQWUDROB-CYBMUJFWSA-N 349.789 4.289 0 40 EIAB Cc1ccc([C@H](O)CSc2nnc(C(C)C)n2C2CC2)c(C)c1 12824962 OINYFKVNLFBMOR-MRXNPFEDSA-N 331.485 4.179 0 40 EIAB COc1ccc(-c2nc(NC(=O)C[C@H]3C=CCC3)sc2C)cc1 12900795 WUMSVHQTXOROSD-ZDUSSCGKSA-N 328.437 4.422 0 40 EIAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc2o1 12925001 DZPNUSDYTIUYCF-SNVBAGLBSA-N 330.771 4.196 0 40 EIAB CON(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 14181315 JIGXRTYUSAHDCT-UHFFFAOYSA-N 326.783 4.189 0 40 EIAB CCCc1nc2ccccc2n1C[C@H](O)COc1cc(C)cc(C)c1 15860743 MHXZJFNBLDKNHJ-KRWDZBQOSA-N 338.451 4.046 0 40 EIAB C[C@H](c1ccc(F)cc1)N(C)C(=S)NCCSc1ccccc1 17454554 GXNOTBJYKXPXMB-CQSZACIVSA-N 348.512 4.485 0 40 EIAB CCOc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 19533240 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CC[C@@H](C(=O)Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1 42701570 DXKDGNBUIJJAAR-HXUWFJFHSA-N 346.430 4.029 0 40 EIAB CCc1ccccc1NC(=O)Cc1csc(Nc2ccccn2)n1 49029541 CSOGCNNXYMAZIQ-UHFFFAOYSA-N 338.436 4.025 0 40 EIAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C(C)C)C3 54313662 UGHPQTDEWOQDGF-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic CCc1c(C(=O)N2CCC[C@H]2c2ccccc2C)[nH]c(C)c1C(C)=O 55781558 NGQZOQMHFMHEPA-SFHVURJKSA-N 338.451 4.374 0 40 EIAB CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765045 XNAUEVCDBCHEEA-SNVBAGLBSA-N 335.791 4.105 0 40 EIAB C[C@H](Nc1cccc(COCC2CC2)c1)C(=O)Nc1ccccc1F 58355531 BKGAVDNWUGJJKB-AWEZNQCLSA-N 342.414 4.191 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3S2)n1 65519024 JOYYNWKPCMRIIK-HOCLYGCPSA-N 344.505 4.222 0 40 EIAB Cc1cc(C)cc(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)c1 66036984 NDZAIIVJVVHBMS-UHFFFAOYSA-N 346.386 4.170 0 40 EIAB Clc1ccc(Cl)c(-c2nc3ccc(-n4cnnc4)cc3o2)c1 70461388 NEUCEGXNNOANCZ-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CCc1ccc(CNC[C@H](c2cccc(OC)c2)N2CCCC2)cc1 71798762 QCSQSLXFZOLVSA-JOCHJYFZSA-N 338.495 4.184 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)SCc2ccc(F)cc2Cl)no1 71877686 WWZPNSDKOUHCNM-SECBINFHSA-N 328.796 4.036 0 40 EIAB CCc1nc2cc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)ccc2o1 71910926 QEJWSBIPEGFBNC-JTQLQIEISA-N 341.333 4.196 0 40 EIAB CCCNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213189 UTVOUZQALFYFNQ-SFHVURJKSA-N 339.439 4.377 0 40 EIAB CCCN1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214800 QOFMXBISKRAHRL-INIZCTEOSA-N 333.476 4.390 0 40 EIAB Fc1ccccc1Cc1cccc([C@@H]2CCCN2C2CCOCC2)n1 72358152 NJTCABFYRLMPBH-NRFANRHFSA-N 340.442 4.127 0 40 EIAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccncc1Cl 73846651 BMYBQVVANOZGMJ-MRXNPFEDSA-N 346.814 4.455 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345252 MWMQZXLBQXQFBQ-KGLIPLIRSA-N 343.810 4.162 0 40 EIAB CC[C@@H](O)c1ccc(OCc2ncc(-c3ccccc3OC)o2)cc1 89126982 WJQSWBVHRISHAK-QGZVFWFLSA-N 339.391 4.373 0 40 EIAB CC(=O)Nc1ccc(O)c(C(=O)O[C@H](C)c2cccc3ccccc23)c1 95377421 DUNHYSGOXJZVCE-CYBMUJFWSA-N 349.386 4.422 0 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O=C(COc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 222773499 LSRSQRWXGWHGLY-UHFFFAOYSA-N 349.405 4.434 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 222850831 CPAHECALJRINTE-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB COC(=O)c1ccc(CN2c3ccc(F)cc3C(C)=CC2(C)C)o1 223230726 NLMZFNOQLBBKTB-UHFFFAOYSA-N 329.371 4.407 0 40 EIAB C[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 224260379 AKFUPKLYNYRMCF-MRXNPFEDSA-N 325.452 4.283 0 40 EIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)s1 225005399 NHEDRVHBBOSBME-SJORKVTESA-N 343.521 4.367 0 40 EIAB CCC[C@@H](C)NC(=S)Nc1nc(C)cc(Nc2ccc(F)cc2)n1 225204927 BGQKMTKXFWXSSZ-LLVKDONJSA-N 347.463 4.143 0 40 EIAB COc1ccc(C(=O)N2CCS/C2=C/c2cccs2)cc1C 225234072 DHOAQAKWMUDGMQ-LFIBNONCSA-N 331.462 4.253 0 40 EIAB CO[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1 225701844 MQVAIBAVXOVHIY-JTQLQIEISA-N 348.226 4.312 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(OC)c(OC)c1 225718649 JTIGXRDRFPNYAK-OAHLLOKOSA-N 348.443 4.281 0 40 EIAB CCCOC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225726553 YYKKBWKSXREKAB-UHFFFAOYSA-N 327.424 4.409 0 40 EIAB CN(C)c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 226260727 NHZAVRAZOVWGKZ-UHFFFAOYSA-N 331.419 4.254 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)nc2ccccc21 245281268 ALCVBCDCPZJHOE-RKVPGOIHSA-N 349.434 4.116 0 40 EIAB Cc1cc(CC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1 257285364 PGSXSDHUUHXKRX-UHFFFAOYSA-N 345.446 4.033 0 40 EIAB Cn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 408712986 FGJNSFYYJBXCJW-UHFFFAOYSA-N 347.201 4.098 0 40 EIAB Cc1noc(C)c1CCc1nnc(COc2ccc3ccccc3c2)o1 521393813 PCHKUOTYKCVHQI-UHFFFAOYSA-N 349.390 4.192 0 40 EIAB C[C@@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)c1ccccc1 607761516 GKRUEJHDCUQZLI-SNVBAGLBSA-N 345.374 4.113 0 40 EIAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 66998 DHTDFCDNRZFJHO-UHFFFAOYSA-N 343.448 4.364 0 40 EIAB O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccc(Br)cc1 163829 KCIJKKMJZDOIQE-DLBZAZTESA-N 329.193 4.088 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(C)cc4)ccc1c23 181095 KGRRICPLDGATOM-UHFFFAOYSA-N 330.387 4.381 0 40 EIAB CC(C)(C)CC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 324743 XWHDEFPNYDHTLW-AWEZNQCLSA-N 345.418 4.018 0 40 EIAB O=C(c1ccn(C(F)F)n1)N1c2ccccc2CCc2ccccc21 2791608 MHXPKNDBFZWBRQ-UHFFFAOYSA-N 339.345 4.355 0 40 EIAB COC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 3286965 KWONYMDDUIPMLW-AWEZNQCLSA-N 340.419 4.421 0 40 EIAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 3294553 TVTGNBXDOPZBCB-UHFFFAOYSA-N 326.396 4.076 0 40 EIAB CCOCCCNC(=O)c1cc(-c2cccs2)nc2ccccc12 3896333 BZTPZHMJDIAFOI-UHFFFAOYSA-N 340.448 4.120 0 40 EIAB CCCCNC(=S)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 4088085 ICQWBCHATNSMKT-KRWDZBQOSA-N 347.915 4.221 0 40 EIAB Cc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 6788513 BWWHBDMPQPUBCD-UHFFFAOYSA-N 337.404 4.193 0 40 EIAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7763554 XHAUWGYRSRGXSG-UHFFFAOYSA-N 341.461 4.317 0 40 EIAB Cc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1C 7823862 RZADYNKZUNXMGT-UHFFFAOYSA-N 347.462 4.095 0 40 EIAB CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 8091605 YBIJWWMQDBCIQV-XNTDXEJSSA-N 344.823 4.014 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(Cl)c1 8136248 GCNFCEKAEOBSNS-UHFFFAOYSA-N 331.778 4.030 0 40 EIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1c(F)cccc1F 8707670 XPEAPHYIJDBLRB-UHFFFAOYSA-N 348.296 4.109 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)O[C@H](C)C2 8748580 DUANUVSFCBOUPT-LLVKDONJSA-N 331.799 4.314 0 40 EIAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccs2)cc1 9547101 PTQXJMFELOQGJK-AWEZNQCLSA-N 339.420 4.374 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 10573090 OFGGPPSJVUVTSR-RNFRBKRXSA-N 343.271 4.229 0 40 EIAB Cc1cc(NC(=O)CC(C)C)n(-c2nc(-c3ccccc3)cs2)n1 12441684 MNDHZKRRPYZOHE-UHFFFAOYSA-N 340.452 4.289 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(N2CCCC2)c(C)c1 12642868 SDLYNOVISZCIMP-UHFFFAOYSA-N 325.412 4.248 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)OCc1ccc(F)cc1Cl 12908114 MCAXALYLMSOEIT-BQYQJAHWSA-N 331.730 4.377 0 40 EIAB COc1ccc(F)cc1CN1CCC(c2nc3ccccc3o2)CC1 12979632 PQNQLOGYYWCNIH-UHFFFAOYSA-N 340.398 4.355 0 40 EIAB COc1ccccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 14241513 CEDXDAYUBGTISW-AWEZNQCLSA-N 333.840 4.316 0 40 EIAB O=c1c(Cl)c(NCCC2=CCCCC2)cnn1-c1ccccc1 15209278 RSDOOXQXVLWPSI-UHFFFAOYSA-N 329.831 4.188 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 20489547 YRIJILJADLJFLG-PMACEKPBSA-N 341.451 4.429 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 22524587 AYJXXLCLLKBHNC-SUMWQHHRSA-N 329.827 4.301 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCc1ccccc1 22904583 MVDKELWQFPVIBN-LSDHHAIUSA-N 329.465 4.194 0 40 EIAB Cc1cccc(-c2nc(CC(=O)NCCc3cccs3)cs2)c1 23483813 OOBSBESNRCJYCS-UHFFFAOYSA-N 342.489 4.081 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 25056532 DLBJHIHWLGFUJW-CYBMUJFWSA-N 343.496 4.244 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25091038 PANZBZMCMVMTFX-UHFFFAOYSA-N 339.826 4.392 0 40 EIAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12 31903869 XWMFYGOLOJKMSD-WBMJQRKESA-N 337.872 4.350 0 40 EIAB COc1ccc([C@]2(CCNCc3ccco3)CCOC(C)(C)C2)cc1 32124295 BHHCRSWSEUUBQK-OAQYLSRUSA-N 343.467 4.295 0 40 EIAB biogenic O=C(CC1CCCCC1)NCc1ccc(OCc2cccnc2)cc1 32930344 HGSIRMBWLHKZFZ-UHFFFAOYSA-N 338.451 4.247 0 40 EIAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccccc2-c2ccccc2)C1 35052960 ABPFCTGMKMWQTL-BJLQDIEVSA-N 339.479 4.071 0 40 EIAB CC(C)c1nnc2sc(Cc3c(Cl)cccc3Cl)nn12 36353588 HQTYPAFWVDXKOH-UHFFFAOYSA-N 327.240 4.207 0 40 EIAB CCc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)s1 36390741 LFGRFIOMKKGTTB-UHFFFAOYSA-N 338.432 4.428 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 38752233 JAJNTHVKFNYUJE-SFHVURJKSA-N 347.842 4.165 0 40 EIAB C[C@H](C(=O)N1CCC[C@H]1c1cccs1)n1cnc2ccccc21 43841646 DXKKXMSEKVUNCJ-CJNGLKHVSA-N 325.437 4.023 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)c(Cl)c1 47155689 XEEJXRGQCFJIME-NSHDSACASA-N 343.814 4.026 0 40 EIAB C[C@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2)[nH]c1=S 57451893 JFICNSMYHHXVDX-LBPRGKRZSA-N 342.493 4.246 0 40 EIAB Cc1sc(Nc2cnn(C)c2)nc1-c1ccc(Br)cc1 58244075 WTJZANMNWFXOTI-UHFFFAOYSA-N 349.257 4.358 0 40 EIAB O=C(CCSCc1ccccn1)N[C@H]1CCSc2ccccc21 58357200 YLKYDJGZXKBAOJ-INIZCTEOSA-N 344.505 4.058 0 40 EIAB Cc1cc(C)cc(C[S@](=O)Cc2coc(-c3ccccc3)n2)c1 69442146 NKOLYFILYQPOON-HSZRJFAPSA-N 325.433 4.407 0 40 EIAB Cc1ccnc(Oc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)n1 70655614 GJNQFKUHSLOKJJ-UHFFFAOYSA-N 341.317 4.108 0 40 EIAB COc1ccc([C@H](C)N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 71796264 RYLCNMFQNKUXCQ-ZDUSSCGKSA-N 338.407 4.018 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H](C)Cc1ccsc1 72311342 NWSDVXBIRUQOKN-ZDUSSCGKSA-N 326.465 4.170 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F 72380267 XISUOPRMDPGGKF-SFHVURJKSA-N 341.430 4.460 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)Cc2nnc(-c3ccc(F)cc3)o2)s1 72610883 GBPHDDNOPANCET-LLVKDONJSA-N 346.431 4.142 0 40 EIAB CCN(C(=O)CCCOC)[C@@H](c1ccc(Cl)cc1)c1ccccn1 75137855 MBFAAWRVNXVMAB-IBGZPJMESA-N 346.858 4.100 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 78459023 ZVZOGMWHWDXSGB-MRXNPFEDSA-N 341.451 4.383 0 40 EIAB Cn1cc(Cl)cc1CNC(=O)c1cccnc1SC1CCCC1 79097663 VORWYQFHIDMGLP-UHFFFAOYSA-N 349.887 4.038 0 40 EIAB C[C@@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)C1CC1 84636398 GMFRUSOZGOGTEK-OAHLLOKOSA-N 331.419 4.068 0 40 EIAB C[C@@H](CCN(C)C)Nc1nc(-c2ccsc2)nc2ccccc12 95385743 JUOIWJKXCKWRTF-ZDUSSCGKSA-N 326.469 4.110 0 40 EIAB Cc1nc(SCc2ncc(C(C)C)o2)n(C[C@@H]2CCCO2)c1C 95396607 NNGGKSSFKCRPBD-AWEZNQCLSA-N 335.473 4.083 0 40 EIAB Cc1ccc(-c2noc(CSCc3nnc(C(C)(C)C)o3)n2)cc1 95412879 PNCYAGQVUXQWKK-UHFFFAOYSA-N 344.440 4.159 0 40 EIAB CC(C)(O)C(C)(C)NC(=O)Nc1sc2ccccc2c1Cl 95462223 WSYHQRFFHGQVCB-UHFFFAOYSA-N 326.849 4.226 0 40 EIAB O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 96407214 DPRPQJGLCNGKOX-HOTGVXAUSA-N 349.421 4.019 0 40 EIAB C[C@H]1Oc2ccc(N[C@H](C)c3ncc(-c4ccccc4)o3)cc2NC1=O 96436859 RLXQHQGOMFYDOK-CHWSQXEVSA-N 349.390 4.234 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 102544300 WBPXHPJYPAAUDP-HNNXBMFYSA-N 344.415 4.201 0 40 EIAB CCSc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)CCCC1=N2 102668859 CJCXYXGASKZOPZ-OAHLLOKOSA-N 326.425 4.062 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 113970247 UVVFHJXJEKOWRO-LJQANCHMSA-N 341.451 4.176 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118929312 NTIDOCUQWIFRTK-DATPGIFZSA-N 334.500 4.179 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC21OCCO1 118940334 SXXRMGBMPQWUTB-MILMJNAHSA-N 332.484 4.053 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2ccc(Cl)cc2)cc1 223399067 JRIIAPGXCNXPRG-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(Cl)cc1 224436582 FDJVFDUDWXLYLL-GOSISDBHSA-N 347.842 4.001 0 40 EIAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)c(C)c1 225398189 NLSPHFFBLPJLJU-INIZCTEOSA-N 331.387 4.032 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 225553828 YSRCAMGLUXLDGD-HOTGVXAUSA-N 341.451 4.463 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1cccs1 225788687 WYGGPGAXOHREFN-UHFFFAOYSA-N 339.804 4.311 0 40 EIAB Cc1cn2c(=O)cc(CN(c3ccc(Cl)cc3)C(C)C)nc2s1 1642150039 DYNVIWULHMYREG-UHFFFAOYSA-N 347.871 4.133 0 40 EIAB CCn1cc(CNc2ccc(-c3cn4ccccc4n3)cc2)c(C)n1 1656865192 VYTDQUISYKHQNT-UHFFFAOYSA-N 331.423 4.138 0 40 EIAB Cc1ccc(C(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)c(C)c1 1775968724 STIULNAHSVLXRY-INIZCTEOSA-N 341.432 4.088 0 40 EIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccco1 48835 SEPYFDSEXNMCAE-UHFFFAOYSA-N 341.388 4.437 0 40 EIAB COc1ccc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)cc1 92989 GLRCZMQIMXLVEE-UHFFFAOYSA-N 331.586 4.303 0 40 EIAB Cc1ccc(Oc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 239986 ZCWIKJWHIVKCRO-UHFFFAOYSA-N 337.375 4.076 0 40 EIAB O=C(Oc1ccc(Br)cc1Br)c1ccco1 363322 XCGLPEZAHFMUKN-UHFFFAOYSA-N 345.974 4.024 0 40 EIAB CCOc1ccc(-c2n[nH]c(=S)n2-c2ccc(OCC)cc2)cc1 1254644 OXPRXLNBUJNSMK-UHFFFAOYSA-N 341.436 4.394 0 40 EIAB Cc1cccc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc12 1342863 QZDXPPZZRJFNKK-NSHDSACASA-N 339.464 4.212 0 40 EIAB CCOC(=O)c1cnc(SC)nc1Sc1ccc(Cl)cc1 1644848 CRTFUBDCLJVHOS-UHFFFAOYSA-N 340.857 4.180 0 40 EIAB CCN(CC)C[C@@H](C)[C@H](C)OC(=O)c1ccc(OCC(C)C)cc1 2040878 GRALFSQRIBJAHX-SJORKVTESA-N 335.488 4.245 0 40 EIAB in-man CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cc1 3238938 AZOWMCCTWSLNQL-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CCC(=O)c1ccccc1OCCOc1ccccc1C(=O)CC 3388067 YOIKEATYHKLWNE-UHFFFAOYSA-N 326.392 4.330 0 40 EIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(F)c1 4033083 XMJBJIQASVUDTN-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB FC(F)(F)c1cccc(Oc2nc3ccccc3n3cnnc23)c1 5426828 LYQWRFWRQLASEK-UHFFFAOYSA-N 330.269 4.089 0 40 EIAB CC(C)CCSc1nc2sc3c(c2c2ncnn12)CCCC3 5574548 LSHLSKMFYAYUCY-UHFFFAOYSA-N 332.498 4.356 0 40 EIAB N=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)S1 5649551 BGAVGVCAPLAZOU-YRNVUSSQSA-N 336.825 4.223 0 40 EIAB COc1ccc([C@H]2CN(C)C[C@H]2C(=O)c2ccc(F)cc2)cc1Cl 6639238 GTKAIZJKINJBJB-HZPDHXFCSA-N 347.817 4.016 0 40 EIAB COc1ccc(C)cc1CSc1nnc(-c2ccccc2F)o1 7191896 SVAVNRWIAAZXKP-UHFFFAOYSA-N 330.384 4.485 0 40 EIAB Cc1ccc(-c2noc(SCC(=O)Nc3ccccc3C)n2)cc1 7605345 RAIZBPMSWDMIIY-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1F 7941427 FEFUJYIXYQSBEP-UHFFFAOYSA-N 340.442 4.050 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 8558203 IZVKDQSETQZKBE-ROUUACIJSA-N 325.452 4.208 0 40 EIAB C[C@@H]1C[C@@H](C)CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 10035747 DPOALMCWVPDCFQ-VXGBXAGGSA-N 339.361 4.233 0 40 EIAB COc1ccc2c(C)cc(SCC(=O)NC3CCCCC3)nc2c1 12533646 NMWIDEDNLSAKKK-UHFFFAOYSA-N 344.480 4.093 0 40 EIAB Cc1ccc(CCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 13670142 GTMPJHHIUDGQIP-UHFFFAOYSA-N 336.479 4.348 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(C)n(Cc4ccco4)c3C)ccc2o1 14158231 JQEFODOVKCFCBP-UHFFFAOYSA-N 349.390 4.448 0 40 EIAB COc1ccc2c(Br)c(OC)ccc2c1Br 14628748 ISDSFEXTWVVJKX-UHFFFAOYSA-N 346.018 4.382 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OC 15800432 IJIUJFIHDYHCJI-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1[C@H](O)CC(C)(C)C2 16806034 BFGIPQWEXCGAIE-CYBMUJFWSA-N 333.815 4.500 0 40 EIAB Cc1cc2c(=O)n(-c3cc(C(C)(C)C)ccc3O)c(S)nc2s1 17072160 JIYMXQHHBKPLMG-UHFFFAOYSA-N 346.477 4.047 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2O1 25623391 PIHYXGFZZJJXRG-IRLDBZIGSA-N 343.426 4.090 0 40 EIAB CC(C)[C@H](NC(=O)c1ccccc1OC(F)F)c1cccs1 26802661 TYLXIVXETJYAKB-AWEZNQCLSA-N 325.380 4.477 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1OC(F)F 27358660 NDAOSEDJTFDCDL-CZUORRHYSA-N 349.377 4.323 0 40 EIAB CCN(CC)[C@H](CNC(=O)Cc1ccccc1)c1ccccc1Cl 27578778 SJECBYCVETZLLB-LJQANCHMSA-N 344.886 4.082 0 40 EIAB CC(C)[C@@H]1C[C@@](CC(=O)N2CCCCC2)(c2ccccc2)CCO1 27666674 AMTFHLUOIPKNMS-FPOVZHCZSA-N 329.484 4.162 0 40 EIAB Cc1nc(CCNC(=O)c2oc3cc(C)c(Cl)cc3c2C)cs1 27991695 WGAFYHAKQMUUHE-UHFFFAOYSA-N 348.855 4.440 0 40 EIAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CCC1 32326667 PUYXIDNHVSICMX-UHFFFAOYSA-N 349.459 4.068 0 40 EIAB COc1ccc(OC)c(NC(=O)N[C@H](C)c2ccc(C)cc2C)c1 32609946 FBABSJJPZXFTTJ-CQSZACIVSA-N 328.412 4.203 0 40 EIAB Cn1c(Nc2nc(C3CC3)cc(C(F)(F)F)n2)nc2ccccc21 36613394 BBLVUFYDHVYDCH-UHFFFAOYSA-N 333.317 4.003 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H](c2ccccc2)C1 36753046 UVVLIXXGYOVKHC-AWEZNQCLSA-N 334.341 4.039 0 40 EIAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccccc2F)CC1 39767549 IPKWPUFCIURMQN-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB CCSc1ccccc1NC(=O)NC[C@H](C)N(C)c1ccccc1 40151901 XXRYBCCRCGJPCU-HNNXBMFYSA-N 343.496 4.445 0 40 EIAB CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 40714421 RZJJDQNYCRCVCK-DEOOBNHLSA-N 339.439 4.003 0 40 EIAB COc1ccc(Nc2ccnc3cc(OC)c(OC)cc23)c(OC)c1 65005252 RNCBUAFFOFFTJF-UHFFFAOYSA-N 340.379 4.013 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CCOc3ccccc32)n1 72273928 KWONDEAZSHVOEP-JKSUJKDBSA-N 342.464 4.071 0 40 EIAB Cc1ccc([C@H]2CCCCN2C(=O)c2cnc3ccccc3n2)cc1 76021910 BXJMBZHVXGXOHP-HXUWFJFHSA-N 331.419 4.306 0 40 EIAB O=C(NCc1cccc(O)c1)Nc1cccc(C2SCCS2)c1 79512704 YDNVCNDQYHNSFT-UHFFFAOYSA-N 346.477 4.193 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=S)NCc1cccs1 84129156 OANJCNLKCXOEIU-CQSZACIVSA-N 334.510 4.327 0 40 EIAB CCN(C)c1cccc(NC(=O)c2oc3ccccc3c2COC)c1 84760927 FTCXQKDBSIGOLI-UHFFFAOYSA-N 338.407 4.288 0 40 EIAB c1ccc(CCC[C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 89830486 QUWYMFZKLPJNQN-IBGZPJMESA-N 347.466 4.044 0 40 EIAB C[C@@H](c1ccc2ccccc2c1)N(Cc1cc(=O)c(O)co1)C1CC1 89905121 VDJIHEXQXHDBFV-AWEZNQCLSA-N 335.403 4.224 0 40 EIAB CC(C)n1cc(C(=O)NCc2nc3ccccc3n2C)c2ccccc21 95473111 FHNAMWYHCWVPHX-UHFFFAOYSA-N 346.434 4.039 0 40 EIAB C[C@H](C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1)C1CCOCC1 95975094 NBCSYOXXVPFDFF-SOUVJXGZSA-N 337.891 4.353 0 40 EIAB FC(F)(F)c1cc(I)c(Cl)c(Cl)n1 98086084 FTHMZXVPUBNNJM-UHFFFAOYSA-N 341.885 4.012 0 40 EIAB CC(C)(C)c1ccc(-c2noc(-c3nc(-c4ccncc4)no3)n2)cc1 98211023 PTAGRGZIESEENZ-UHFFFAOYSA-N 347.378 4.146 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102602810 KMGBJUJLCHILAK-KDEOKCCVSA-N 335.875 4.357 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@@H](c2ccccc2)C1 102664530 XUZDIBCIARCKOC-OXQOHEQNSA-N 342.402 4.343 0 40 EIAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1cccc(Cl)c1 111912439 AWSAXIVERPHSPA-HMMYKYKNSA-N 347.205 4.184 0 40 EIAB CC(=O)O[C@H]1C=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C)O)C1 118926200 UHKAWYVFEDUNRA-PVFHHWQTSA-N 346.511 4.488 0 40 EIAB CO[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1Cl 121913905 PHUPERYXXAGNLC-QGZVFWFLSA-N 329.783 4.204 0 40 EIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccccc1 219039940 VQAXRFSLONCKFD-QGZVFWFLSA-N 333.431 4.356 0 40 EIAB O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc2ccccc12 222860132 DRROBQWOVLFHNN-UHFFFAOYSA-N 345.851 4.113 0 40 EIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224151349 MQLPWORCYQHDEV-MSOLQXFVSA-N 335.432 4.160 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)CCCC2 224751938 DRKLBEHYFJAOEA-KRWDZBQOSA-N 337.463 4.082 0 40 EIAB CCCCc1ccc(C[C@@H](Oc2cccc(OC)c2)C(=O)O)cc1 225128799 JGCCFZNDZNGDJP-LJQANCHMSA-N 328.408 4.113 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 225639386 DWWRUIRGUQGCOI-INIZCTEOSA-N 328.481 4.366 0 40 EIAB CCOCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1 225716709 QDZORWLZKJCHNB-OXQOHEQNSA-N 349.471 4.026 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)NCc2ccc(Cl)cc2)cc1 225772999 URHQYXJVRYLQFY-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1C 225843137 RQHSJFBEBXPPCC-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2ccccc2)c1 225844497 LRGGOWSFQISRAF-QGZVFWFLSA-N 325.452 4.245 0 40 EIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1C 225897632 UDKNQZJSOKXEND-LJQANCHMSA-N 336.476 4.493 0 40 EIAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(Cl)cn1 524733062 PVKMYGPSWHVMLF-AWEZNQCLSA-N 331.828 4.216 0 40 EIAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(Cc4ncccc4C)C[C@@H]32)nc1 643913363 SNHKKGQLDRWFGL-SFHLNBCPSA-N 335.495 4.184 0 40 EIAB O=C(Nc1ccccc1)N1CCC[C@@H](COc2ncccc2Cl)C1 1890131640 SWTFZINRHREINQ-CQSZACIVSA-N 345.830 4.058 0 40 EIAB O=C(COc1ccc(Cl)cc1)Oc1ccc(Br)cc1 38589 WZWLTRGOKOKUQU-UHFFFAOYSA-N 341.588 4.087 0 40 EIAB Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)o2)cc1 386073 XAENNWRAJMTOKF-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(Cl)cc1 819142 PBSDIJZJUUQESR-UHFFFAOYSA-N 341.798 4.081 0 40 EIAB Cc1nn(C)c(C)c1Cc1ccc(OC(=O)Nc2ccccc2)cc1 1390851 DIHUOJNUEBXHSF-UHFFFAOYSA-N 335.407 4.239 0 40 EIAB CCOC(=O)[C@H](C[C@@H](C(=O)OCC)c1ccccc1)c1ccccc1 1684217 XZNGNYIKQDPHJW-RTBURBONSA-N 340.419 4.070 0 40 EIAB CCCCc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 2400425 GZXXACJIMNAYCV-NRFANRHFSA-N 337.419 4.140 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(Cl)s1 2641603 NJEDOEVDJDTSLL-UHFFFAOYSA-N 346.220 4.419 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)ccc1Cl 3443814 NOBMGVWTHNJHDQ-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccc(F)cc1 4901763 YQLSYFLXDLJXFC-HNNXBMFYSA-N 349.427 4.090 0 40 EIAB Cc1noc(C)c1CSc1nnc(NCc2ccccc2)s1 4997306 JDSZYRFKPXHIGZ-UHFFFAOYSA-N 332.454 4.047 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 6274709 QAPRSHTVNIIRKS-OAHLLOKOSA-N 341.407 4.050 0 40 EIAB CC(C)Oc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)cc1 6624462 WFGYKJPBHDEMPA-OAQYLSRUSA-N 340.467 4.475 0 40 EIAB biogenic Cc1cc(C)c2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 6811313 COUNRKOYRUOBJS-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(F)ccc1C 7950498 MXAWIZGOOQFWPU-LJQANCHMSA-N 338.382 4.037 0 40 EIAB Cc1nc2cc(NC(=O)CCc3ccco3)ccc2n1-c1ccccc1 8012614 XCZXYOPWHONHJL-UHFFFAOYSA-N 345.402 4.498 0 40 EIAB CCn1cccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 8091024 QSZZNPYBVLSSEL-GXDHUFHOSA-N 332.812 4.402 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 8772016 JVWJPAJWZQVLKF-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 12733717 HKSFTUAVMQOWAY-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2F)cc1 12793642 FBAOMVPOKQPMHC-UHFFFAOYSA-N 330.403 4.324 0 40 EIAB COc1cc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC 12940790 MZPYVFNKWOOIMQ-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(CC)cc1)O[C@H](C)C2 12978466 HMAJNVICOWNKQY-CYBMUJFWSA-N 325.408 4.223 0 40 EIAB Cc1cc(C(=O)COc2ccc(F)c(F)c2)c(C)n1-c1nccs1 14343160 MXMMMUVJBZGHIY-UHFFFAOYSA-N 348.374 4.091 0 40 EIAB CN(Cc1nnc(-c2ccco2)o1)Cc1cccc(Cl)c1Cl 15299636 YSSHWWCZEMDFJB-UHFFFAOYSA-N 338.194 4.268 0 40 EIAB Cc1cccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 19234949 RUAIEUPIIGMCFC-HNNXBMFYSA-N 325.437 4.096 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 20459501 RLLUYDRLVGVZGB-KRWDZBQOSA-N 335.806 4.295 0 40 EIAB CCc1ccc(NC(=O)CNc2ccccc2OC(F)(F)F)cc1 22811601 XYGUSUXTGOJZPY-UHFFFAOYSA-N 338.329 4.198 0 40 EIAB COc1ccc(CCNCc2ccc(CSC(F)F)o2)cc1 25539130 KJTFQLFEAMCUPX-UHFFFAOYSA-N 327.396 4.076 0 40 EIAB O=C(/C=C/c1cccnc1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25935005 XCMOOXZSEZKWAL-XCVCLJGOSA-N 331.375 4.266 0 40 EIAB Cc1cccc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)c1 28539779 VKDPNGAHVGQDHS-UHFFFAOYSA-N 342.402 4.045 0 40 EIAB CCc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)cc1 28576397 KTZSPGJUPLMMQH-OAHLLOKOSA-N 327.424 4.293 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 30752448 LNJQUCHEASVDAP-LJQANCHMSA-N 341.451 4.176 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CCSc2ccccc21 32339698 DUQGQRIRIULQDW-IBGZPJMESA-N 348.471 4.373 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 32895450 HABUSLUWIISPGD-DOMZBBRYSA-N 344.377 4.006 0 40 EIAB O=C(c1cc(F)cc(F)c1)N1CCSc2ccc(Cl)cc21 40071155 QPEGRAXXQJBFMF-UHFFFAOYSA-N 325.767 4.371 0 40 EIAB COc1ccc(C)cc1-c1csc(NC(=O)COC2CCCC2)n1 40141550 YZKJDQNMVUZFBT-UHFFFAOYSA-N 346.452 4.025 0 40 EIAB CCOC(=O)c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1 40175561 RITBDBYEBASLIQ-UHFFFAOYSA-N 328.318 4.433 0 40 EIAB O=C(CSc1nncn1C1CC1)c1ccc2c(c1)Cc1ccccc1-2 53675264 WLKWPFVBNRBUJH-UHFFFAOYSA-N 347.443 4.159 0 40 EIAB CCc1cccc(C)c1NC(=O)NCc1ccccc1Cn1cccn1 54020362 UUCYDHOQNHMFDU-UHFFFAOYSA-N 348.450 4.124 0 40 EIAB C[C@H]1CCCN(Cn2nc(Nc3ccccc3F)sc2=S)C1 58164442 NXJMWZQIEJLOMT-NSHDSACASA-N 338.477 4.246 0 40 EIAB Fc1ccc(CCNCc2c[nH]nc2-c2cc3ccccc3o2)cc1 60044074 AFSRHUSHSFUHHM-UHFFFAOYSA-N 335.382 4.294 0 40 EIAB CSc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1C 64314926 BPBKTLQYHHOZPN-UHFFFAOYSA-N 346.399 4.373 0 40 EIAB CC(=O)c1cccc(SCC(=O)N2CCC[C@@H]2c2cccs2)c1 71916352 ORIGTRZAYGDLJI-MRXNPFEDSA-N 345.489 4.407 0 40 EIAB Cc1cccc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 72375269 QIJUSBOGQGOXRD-LJQANCHMSA-N 345.450 4.261 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1 72404321 QLOPEDLSOYXFPE-HNNXBMFYSA-N 339.420 4.125 0 40 EIAB Cc1ccc(SC2(CN[C@@H](C)c3nnc(C)o3)CCCC2)cc1 80298446 HVONBGXIEKAPOO-AWEZNQCLSA-N 331.485 4.442 0 40 EIAB CC(C)n1nccc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 83063532 JLNKKKWRKJDRPP-OAHLLOKOSA-N 349.438 4.409 0 40 EIAB Cc1ncc([C@H](C)NCc2cccc(NC(=O)c3ccco3)c2)s1 90401444 JBFVJSQRKSOUPZ-LBPRGKRZSA-N 341.436 4.148 0 40 EIAB Cn1cc(CNc2ccccc2OC(C)(C)C)c(-c2ccncc2)n1 92170795 UYJQTDANUXZNCQ-UHFFFAOYSA-N 336.439 4.272 0 40 EIAB COc1ccc(CN(Cc2cc(C)on2)C2CCCCC2)cc1OC 95389769 MKHLBKQFPJGCMU-UHFFFAOYSA-N 344.455 4.335 0 40 EIAB c1nc(CN(Cc2nc(C3CCCCCC3)no2)C2CC2)cs1 95443260 LMWPDTPQEWHIKH-UHFFFAOYSA-N 332.473 4.129 0 40 EIAB C[C@H](c1ccccc1F)[S@](=O)Cc1ccc(OC(F)F)cc1 96404388 DPSQQLOCLPCVAT-XFNZEKPQSA-N 328.355 4.437 0 40 EIAB Cc1ncc(CNC(=O)Nc2cccc(COC(C)C)c2C)s1 96435333 HTXQXOSSHKUDGN-UHFFFAOYSA-N 333.457 4.007 0 40 EIAB CCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cccc(F)c21 100823751 INZGQGYHTKSVFK-CCXUNVLVSA-N 332.425 4.064 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C[C@@H](O)[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 123386428 YQMXIAABFQDHTC-GDZCPINPSA-N 334.500 4.322 0 40 EIAB CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 222696628 CNHMEWATUQJNRW-IBGZPJMESA-N 341.451 4.267 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)NCc1cccc2ccccc12 222893651 IKRHPGVSASKVJB-UHFFFAOYSA-N 345.442 4.414 0 40 EIAB COc1ccccc1NC(=O)NCCOc1ccccc1C(C)C 223838655 YDVCPGODOYTDBM-UHFFFAOYSA-N 328.412 4.019 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 224190225 FYERCDGDJMBPKP-ZWKOTPCHSA-N 335.432 4.160 0 40 EIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225794533 VUDFCPZCEBBUIS-HNNXBMFYSA-N 333.350 4.248 0 40 EIAB CCc1ccccc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225799143 CPYMWBMFTYECEK-UHFFFAOYSA-N 339.370 4.009 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccccc2)c1 225802647 CJIMUJCGIAGGPM-HXUWFJFHSA-N 325.452 4.285 0 40 EIAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226365405 PDHJNWLFMLCXOH-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1N 226365450 MQIGCBAPIQETQM-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(C(C)C)n1 585264945 CATZBUZJOMYEBO-UHFFFAOYSA-N 329.396 4.368 0 40 EIAB CC(C)(C)c1cn2nc(C(=O)Nc3ccc(F)cc3Cl)ccc2n1 1888908449 WASUGLLGPKBZTR-UHFFFAOYSA-N 346.793 4.072 0 40 EIAB Clc1cccnc1OC[C@H]1CCCN(c2nccc3occc23)C1 2298220431 WZMDSWUXXVUMPC-ZDUSSCGKSA-N 343.814 4.172 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1 361901 PVFYKCPQWUWPTK-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB S=c1n(CN2CCCC2)nc(-c2cccs2)n1-c1ccccc1 3260783 KXWTWCQZWPQPBE-UHFFFAOYSA-N 342.493 4.185 0 40 EIAB C[C@H]1CCc2c(sc3ncnc(N4CCc5ccccc5C4)c23)C1 3317290 GXORDYMNIWQHJE-ZDUSSCGKSA-N 335.476 4.379 0 40 EIAB O=C(COC(=O)c1ccco1)Nc1c(Cl)cc(Cl)cc1Cl 3320861 SSOKBSDYTKZTSO-UHFFFAOYSA-N 348.569 4.035 0 40 EIAB CCOc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C)cc23)cc1 4313289 WKGFPMNOUPTWGI-PXNSSMCTSA-N 338.407 4.163 0 40 EIAB O=C(Nc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1)c1ccco1 5409211 WTLPTEJKCIOGLQ-UHFFFAOYSA-N 344.330 4.216 0 40 EIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)oc2ccc(Cl)cc12 5451521 DQRRGTCGERSKFS-AWEZNQCLSA-N 346.814 4.020 0 40 EIAB Cn1cccc1/C=C1/SC(=O)N(c2ccc(F)c(Cl)c2)C1=O 5552674 TXSKUZMDEIUPQM-MDWZMJQESA-N 336.775 4.059 0 40 EIAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1F 5584072 PUCXLLASEQWAMY-UHFFFAOYSA-N 327.142 4.094 0 40 EIAB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4ccccc43)o2)cc1 6509081 SUDXFQLLNKMFPJ-ATVHPVEESA-N 345.354 4.226 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1cc(Cl)c2c(c1)OCCCO2 7062499 HYPPJYNZXADLFG-UHFFFAOYSA-N 338.190 4.407 0 40 EIAB COc1ccc(CNC(=S)N2CCCSc3ccccc32)cc1 7101791 SISBGSITMNUCNS-UHFFFAOYSA-N 344.505 4.072 0 40 EIAB COc1cc(NC(=O)c2ccc3c(c2)CCC3)c(OC)cc1Cl 7719420 RRFUYSOHDNTXNF-UHFFFAOYSA-N 331.799 4.098 0 40 EIAB O=C(OCc1nnc(-c2cccs2)o1)c1cc2c(s1)CCCC2 7737957 ZUOWRPFIZSAQHR-UHFFFAOYSA-N 346.433 4.095 0 40 EIAB CCOCCCNCc1cccc(OCC)c1OCc1ccccc1 8253207 KXTLIJKHSRPXRQ-UHFFFAOYSA-N 343.467 4.181 0 40 EIAB O=C(CSc1nnc(NC2CC2)s1)c1ccc2ccccc2c1 8271877 SLBJFCBSYSSKQA-UHFFFAOYSA-N 341.461 4.241 0 40 EIAB CCOc1cc(C=O)ccc1OCCCN1CCCc2ccccc21 8703246 LBSZEEWEGUEBBR-UHFFFAOYSA-N 339.435 4.120 0 40 EIAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)c(Cl)c2)c1 8752291 DZIKXWCGROUBSV-SOFGYWHQSA-N 332.762 4.089 0 40 EIAB Cc1cccc(-c2nnc3sc(CCCc4ccccc4)nn23)c1 9227242 VNERKHGWIXOJJF-UHFFFAOYSA-N 334.448 4.337 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2c1C(=O)CC(C)(C)C2 9531258 GEOBLJIDCKNJAU-CYBMUJFWSA-N 325.408 4.234 0 40 EIAB O=C(c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 9547460 CMKSWSUJMOUFOO-UHFFFAOYSA-N 341.382 4.139 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 10490804 YVNLTGWPAOYNCF-UHFFFAOYSA-N 345.761 4.453 0 40 EIAB Clc1ccc(C2(NCc3ccnn3[C@@H]3CCCCO3)CC2)cc1 12361967 BEFFCXPDRSHDRS-KRWDZBQOSA-N 331.847 4.015 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(Cl)c1)CC3 12389256 CUCHUGVAXDMHLB-UHFFFAOYSA-N 340.810 4.028 0 40 EIAB Cc1nc(/C=C/C(=O)Nc2ccc(N3CCCCCC3)cc2)cs1 12516836 OJDWRLYMXBTBLU-DHZHZOJOSA-N 341.480 4.484 0 40 EIAB CN(C(=O)c1cccc(Br)c1)[C@H]1CCc2ccccc21 12996436 FRVRFFAEISCHAO-INIZCTEOSA-N 330.225 4.209 0 40 EIAB COc1cc(OC)c(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 14669548 QGPHPDKTAIWRGK-UHFFFAOYSA-N 349.814 4.235 0 40 EIAB Cc1ccc(-c2ccc(OS(=O)(=O)c3c(C)noc3C)cc2)cc1 16094351 QZWJOQMOTNBKSA-UHFFFAOYSA-N 343.404 4.035 0 40 EIAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 16142148 IKOKPXPWFKPUEX-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB Cc1noc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 22990659 QGLBOPPYGRUZEA-UHFFFAOYSA-N 347.296 4.316 0 40 EIAB O=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc(C(F)(F)F)c1 23144943 FDZIAHPFQWSDMU-UHFFFAOYSA-N 348.299 4.117 0 40 EIAB COc1ccccc1CCNC(=O)c1sc2ccccc2c1C 23444174 GYUBJIDQQVKDDR-UHFFFAOYSA-N 325.433 4.191 0 40 EIAB Cc1cc(C)c(NC(=O)N2C(=O)CSc3ccccc32)c(C)c1 28527586 AOPMRHQZFWGUND-UHFFFAOYSA-N 326.421 4.283 0 40 EIAB CN(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cn1 30117895 KBLATAFFKVWYDH-UHFFFAOYSA-N 349.459 4.227 0 40 EIAB CCOCc1ccccc1CNC(=O)c1ccc(Cl)c(Cl)c1 30179535 HGVJDRRAUGJNNG-UHFFFAOYSA-N 338.234 4.460 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)s1 33191670 YXZJWVBALBPPJF-HTZNOQTFSA-N 335.812 4.021 0 40 EIAB O=C(OCc1cc(-c2ccccc2)on1)c1ncc(-c2ccccc2)o1 38758186 NWDFWIKJHAAOKW-UHFFFAOYSA-N 346.342 4.354 0 40 EIAB CC(C)(C)c1ccc(NC(=O)c2cccnc2Br)cc1 41107471 HQPKGHVEQFAIHR-UHFFFAOYSA-N 333.229 4.394 0 40 EIAB Fc1cccc([C@H]2CCCN2Cc2csc(-c3ncccn3)n2)c1 44976915 MQAONWXSNZURSS-MRXNPFEDSA-N 340.427 4.076 0 40 EIAB NC(=O)c1cccc(CSc2nc3cc(Cl)ccc3s2)c1 47438611 GGYMHNSTNAAUDL-UHFFFAOYSA-N 334.853 4.341 0 40 EIAB O=C(CSc1ccc(O)cc1)Nc1ccc(OC(F)(F)F)cc1 47884321 KIIUIZNRIKCKRY-UHFFFAOYSA-N 343.326 4.022 0 40 EIAB Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(OCC(C)C)nc1 48289880 JTBLPFAGTKVRRB-UHFFFAOYSA-N 342.414 4.157 0 40 EIAB O=C(Nc1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccco1 51035678 AWNRTYNXSCZYSE-UHFFFAOYSA-N 341.750 4.405 0 40 EIAB CN(C)C(=O)Cc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 55049205 YDSHKFHYGVLSOW-UHFFFAOYSA-N 334.444 4.012 0 40 EIAB C[C@@H](C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 56483106 SOJYKHLSICQEDA-NHYWBVRUSA-N 338.238 4.115 0 40 EIAB Cc1csc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)n1 56853390 OYOAZBXTOYWBME-SNVBAGLBSA-N 343.374 4.031 0 40 EIAB C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 58051122 QQSBFCYTIJKPHG-CVEARBPZSA-N 349.434 4.034 0 40 EIAB CC1CCC(NC(=O)CSc2ccc(Br)cc2)CC1 58157797 URMNSTFNCYWTSP-UHFFFAOYSA-N 342.302 4.236 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 59351941 XUKPXRGUFXVPGF-UONOGXRCSA-N 347.842 4.302 0 40 EIAB CCN(C(=O)c1ccncc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 69435611 KNHCAUZQBIGKPA-HXUWFJFHSA-N 349.409 4.176 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 69458243 QCSWMPWGZFMUGB-VIFPVBQESA-N 341.238 4.360 0 40 EIAB CC(C)n1c([C@@H]2CCCN(C(=O)c3ccoc3)C2)nc2ccccc21 74072239 LGMMGSUWNOORCR-OAHLLOKOSA-N 337.423 4.230 0 40 EIAB FC(F)(F)c1ccccc1-c1noc(-c2cccnc2Cl)n1 89262763 ZWXMHMXSUGQWFT-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCCn1ccnc1 89562803 HKHCHUJBOAYZNF-CQSZACIVSA-N 326.469 4.056 0 40 EIAB CCn1nc(C)cc1C(=O)N(c1cccc2cccnc12)C1CCCC1 95399272 XAHHZYSJJWDBSC-UHFFFAOYSA-N 348.450 4.349 0 40 EIAB Cc1ccccc1[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)C(C)C 95422340 RRYGDLQDYLXRSE-FQEVSTJZSA-N 340.467 4.180 0 40 EIAB Cc1c(C(=O)N[C@H](CCO)c2cccs2)oc2c(Cl)cccc12 95426706 RFKODTHVDLGELH-CYBMUJFWSA-N 349.839 4.310 0 40 EIAB Cc1nc(CCNC(=O)Nc2ccccc2-c2ccccc2)c(C)o1 95452789 LKNIMSJDTRKFIJ-UHFFFAOYSA-N 335.407 4.323 0 40 EIAB Fc1ccc([C@@H](Cn2ccnc2)N[C@@H]2CCCc3ccccc32)cc1 96013543 IRSTYNNTMFFZIQ-NHCUHLMSSA-N 335.426 4.431 0 40 EIAB Cc1nc(CSCCC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cs1 105776277 BLACEIPSLQSOND-SOUVJXGZSA-N 338.542 4.017 0 40 EIAB C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 118914487 BFKPXLDFMBGVDL-ANWZHMNCSA-N 342.479 4.162 0 40 EIAB CN1N(C)C12CC[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@@]1(C)[C@H]3CC[C@@]1(C)O)C2 118919243 SXXLVVHRVNMRJU-LXACZHLHSA-N 346.559 4.269 0 40 EIAB Ic1ccc(Nc2nc3ccccc3o2)cc1 199811741 LNUVFWREIOUOEF-UHFFFAOYSA-N 336.132 4.176 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(F)cc1 222964328 GJETYWPCSLDLQA-IBGZPJMESA-N 343.442 4.349 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)c(C)c1 223517288 LFGHNJSMGJOMEI-VQIMIIECSA-N 341.451 4.347 0 40 EIAB S=C(Nc1ccc(N2CCCCC2)nc1)NC1CCCCCC1 224041643 FLCPIWQFGPLHFW-UHFFFAOYSA-N 332.517 4.081 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c(C)c1 224605457 MHDUMUYFQMLGKS-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CCCOC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1 225434943 DNHQBVQLVVMGMA-UHFFFAOYSA-N 334.803 4.241 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(C)c(C)c1 225712997 HYRWDAYTGZZUOO-INIZCTEOSA-N 329.469 4.145 0 40 EIAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225903379 GHDHPGWPXJYGMX-UHFFFAOYSA-N 344.455 4.413 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 245263830 BCRLLYGESUBULV-RFQIPJPRSA-N 332.469 4.249 0 40 EIAB COc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3C)no2)C1 257329001 XHYVPOFZRZOPQE-QGZVFWFLSA-N 349.434 4.043 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1C 409180235 VDTMOPFZDDKUTH-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB CC1(C)C[C@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)CCO1 502543602 AWOPQVPJRMTBDO-GOSISDBHSA-N 347.474 4.393 0 40 EIAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@@H]1C[C@H]2CC[C@H]1O2 504225201 DNFQFNXJUIWKPB-BZUAXINKSA-N 344.798 4.033 0 40 EIAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cn2cc(C)ccc2n1 560048082 IWSDPDMUPQLUGQ-LIRRHRJNSA-N 343.858 4.162 0 40 EIAB Cc1ccc(NC(=O)Nc2cc(Br)cnc2Cl)cc1 166789 WDTPOFUEKIAZBT-UHFFFAOYSA-N 340.608 4.450 0 40 EIAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 342819 QGMCMLUDWFKOLC-UHFFFAOYSA-N 335.469 4.322 0 40 EIAB CCOc1ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc2c1 491340 RHXZHZULQXNPTD-UHFFFAOYSA-N 326.348 4.301 0 40 EIAB biogenic Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 1383359 DCDKMESAFQTANT-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB Cc1cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2n1C 4061604 JRCPHPWWKOONND-UHFFFAOYSA-N 327.815 4.462 0 40 EIAB Cc1cc(CNC(=O)c2cc(F)c(F)cc2Cl)c2ccccc2n1 4686653 VMVFSPIAYXQBLS-UHFFFAOYSA-N 346.764 4.405 0 40 EIAB C=CCn1cc(/C=C2/SC(=O)N(CCC)C2=O)c2ccccc21 6629586 BRTDORNAXSLSIV-LFIBNONCSA-N 326.421 4.274 0 40 EIAB CSc1ccc(/C=C/c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 6650543 GBLCXTGGUKIGJR-RMKNXTFCSA-N 328.462 4.494 0 40 EIAB CCc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2)cc1 6870930 MCCQMRDTIVOUQQ-UHFFFAOYSA-N 338.476 4.431 0 40 EIAB Cc1cc(C)cc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 7725898 RMKMRUIXKIJPAA-UHFFFAOYSA-N 338.407 4.130 0 40 EIAB Cc1cc(NC(=O)[C@H](Nc2ccc(Cl)cc2)c2ccccc2)no1 8727309 FYSAYDIXUUDEPV-QGZVFWFLSA-N 341.798 4.428 0 40 EIAB CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 9667335 VQBRXXZGWAGVHY-UHFFFAOYSA-N 328.462 4.252 0 40 EIAB Cc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)cc1C 10009773 RTTXOLPHWOUTJC-UHFFFAOYSA-N 333.884 4.408 0 40 EIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccoc1 10697936 JFVLLWGPFIXNGI-GOSISDBHSA-N 330.387 4.323 0 40 EIAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1O 11566316 XMACIVWYDFSIIO-FQEVSTJZSA-N 332.355 4.173 0 40 EIAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 12540527 MEESDVCXDOAKFL-JTQLQIEISA-N 333.313 4.073 0 40 EIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)cc1 12942208 MPOHJPZOZDHLBR-FQEVSTJZSA-N 338.451 4.088 0 40 EIAB O=C(c1cc(F)cc(F)c1)N1CCC(CCc2ccc(O)cc2)CC1 12995473 YALHRYGQGMXKLG-UHFFFAOYSA-N 345.389 4.155 0 40 EIAB COc1ccc(C(=O)NCC2(c3cccs3)CCCC2)c(OC)c1 13803195 BJVDYZXKTATWDP-UHFFFAOYSA-N 345.464 4.007 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@H](C)c2ccccc2)cc1OC 15339881 QPLWJYZNPNZPHC-GFCCVEGCSA-N 333.815 4.238 0 40 EIAB O=C(Nc1cccc(F)c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 17071936 QXBSMYXCMBHAFL-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C(C)C)cc1 18087885 BRHFIQDOCGVRQC-IBGZPJMESA-N 331.843 4.405 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1OC 19736734 BODINHZYVUDJBE-ZIAGYGMSSA-N 342.439 4.197 0 40 EIAB CC(C)COCCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 26265539 OXYGHEDULOASRF-LBPRGKRZSA-N 347.286 4.416 0 40 EIAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 28406026 XYVOAZZKGJVDLA-UHFFFAOYSA-N 349.369 4.097 0 40 EIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCc1ccccn1 29517053 GAENIIRTKJTBRM-PKNBQFBNSA-N 338.407 4.279 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1cc(N2CCCC2=O)ccc1Cl 40090698 ORQMPAWKJCWSTJ-DHZHZOJOSA-N 340.810 4.119 0 40 EIAB CCCCOc1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 48277578 UMFSJRRYHUXHAG-UHFFFAOYSA-N 335.407 4.304 0 40 EIAB CN(C)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 51354335 XHAHGGBSLDUQFC-UHFFFAOYSA-N 334.217 4.159 0 40 EIAB C[C@H](CNC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 57413561 AZEVQBREJUBHQD-CYBMUJFWSA-N 339.826 4.264 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)n1 61108638 KLPDNOHYCOJIGK-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB O=C(O)c1cc(C2CC2)nc2c(Cl)cc(Br)cc12 62152009 DOSYFZOFIMFFBV-UHFFFAOYSA-N 326.577 4.226 0 40 EIAB Cc1cccn2cc(COC(=O)CCc3ccc4ccccc4c3)nc12 62477591 CKHYQDGKGYYMDU-UHFFFAOYSA-N 344.414 4.472 0 40 EIAB COc1nc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc2ccccc12 69350244 ZZAGEFZEEBBWFN-CYBMUJFWSA-N 346.386 4.481 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 69488958 YPCXDVMWYQRNNC-CQSZACIVSA-N 348.402 4.002 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccncc3)c2)c1 71902996 HZEWPGBXMGBJHX-UHFFFAOYSA-N 347.374 4.085 0 40 EIAB COc1ncc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1C 72217751 ARMSPLRFWPYDCC-SFHVURJKSA-N 340.423 4.262 0 40 EIAB Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc(F)c3)C2)n1 72298679 QWEIVFWIOPDISW-OIISXLGYSA-N 344.455 4.100 0 40 EIAB Cc1ccccc1NC(=O)NCCN1CCC(c2cccs2)CC1 77104348 SBVHDEKSAZWMQD-UHFFFAOYSA-N 343.496 4.058 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 78459018 ZVZOGMWHWDXSGB-INIZCTEOSA-N 341.451 4.383 0 40 EIAB O=S(=O)(Cc1csc(-c2ccco2)n1)c1cccc(Cl)c1 78978946 IUXCFQRZMMWBMV-UHFFFAOYSA-N 339.825 4.030 0 40 EIAB O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(Cl)o1 79650663 YKKCMCYLRNMAPJ-UHFFFAOYSA-N 337.813 4.188 0 40 EIAB Cc1ccnc(-c2ccc(NCc3noc(-c4ccccc4)n3)cc2)n1 86208596 ZRCKPXCSDAIZBZ-UHFFFAOYSA-N 343.390 4.114 0 40 EIAB Cc1cccc([C@@H]2CCCN2Cc2cnc(-c3cccnc3)s2)n1 93445030 AAUBYZITFPRXRQ-SFHVURJKSA-N 336.464 4.246 0 40 EIAB Cc1ccc(N(Cc2ccccc2)C(=O)N(C)Cc2cnccn2)cc1 95398407 JQNWJHZYPMQZDN-UHFFFAOYSA-N 346.434 4.044 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1[C@@H](O)C(F)(F)F 95465500 ZMTGXLLIJBTGQB-OAHLLOKOSA-N 343.732 4.117 0 40 EIAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 96137189 RGXZVEIHQORPJI-MDZDMXLPSA-N 341.354 4.426 0 40 EIAB CSCCc1ccc(NC(=O)NC(C)(C)c2nccs2)cc1 96407960 MSXBZSJHLWIYJM-UHFFFAOYSA-N 335.498 4.105 0 40 EIAB COc1cccc(F)c1[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 96478597 KQVKRGFXFMVTSU-CHWSQXEVSA-N 330.403 4.205 0 40 EIAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc(Cl)cc2)CC1 100809405 RVRXLTUWAXBOKA-IYBDPMFKSA-N 338.879 4.266 0 40 EIAB Cc1oc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2c1C 186781116 MYGYNYBAEKYJMZ-DEOSSOPVSA-N 341.432 4.180 0 40 EIAB COC(=O)c1cc(Br)ccc1OCc1ccc(C)cc1 216805397 RGRVZCRAUXDYDA-UHFFFAOYSA-N 335.197 4.123 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)Cc1ccccc1 223130137 UTDHDTZGYOWKCL-GOSISDBHSA-N 329.415 4.121 0 40 EIAB Cc1cccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224980680 WDLMUARUJJLDRT-UHFFFAOYSA-N 345.442 4.400 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 225436702 RLXLIXIVVWLVKF-UHFFFAOYSA-N 344.842 4.051 0 40 EIAB CCCOC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1OC 225482281 XCTWRIYCACXJGT-UHFFFAOYSA-N 334.803 4.241 0 40 EIAB CCCCC[C@H](O)/C=C/C=C\C/C=C/C=C\[C@@H](O)CCCC(=O)O 299888716 UXGXCGPWGSUMNI-JXVHVIROSA-N 336.472 4.158 0 40 EIAB CSCC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 575443141 KKLHPJJGPLQFFI-AWEZNQCLSA-N 326.824 4.214 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC(c2csc3nccn23)CC1 607853322 KRVMJCUTEGSFJB-UHFFFAOYSA-N 345.855 4.069 0 40 EIAB O=C(NCc1ccc(F)cc1)NC[C@H](c1ccsc1)c1ccco1 618257577 ZYIXPUDUBWPCHO-MRXNPFEDSA-N 344.411 4.112 0 40 EIAB FC(F)(F)c1cc(N2CCC[C@H](c3nc4ccccc4o3)C2)ncn1 1888899383 UKYMSFQCEOCKDH-NSHDSACASA-N 348.328 4.021 0 40 EIAB CCOC(=O)c1oc2cc3c(C)c(C(=O)OCC)oc3cc2c1C 50401 VHBHDHDRGPEVTG-UHFFFAOYSA-N 330.336 4.149 0 40 EIAB COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 572103 RDDHSULNSTXWRK-UHFFFAOYSA-N 345.354 4.288 0 40 EIAB CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 1249792 CJAUFOVBHHUUKK-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB O=C(c1ccccc1Cl)c1ccccc1I 2392535 ZSYPPOBHGIGJOD-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCC(Cc2ccccc2)CC1 3408368 NTVDIUBPQBBYJA-UHFFFAOYSA-N 336.460 4.391 0 40 EIAB O=C(OCc1nnc(-c2ccccc2)o1)c1csc2c1CCCC2 3552107 RWJWDAJTXVSVJT-UHFFFAOYSA-N 340.404 4.034 0 40 EIAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)s2)c(C)n1C1CC1 4242881 KBPJEOZPUUFXEY-UHFFFAOYSA-N 337.828 4.194 0 40 EIAB CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 4370859 LCWNXHLYUNJFIP-ZDUSSCGKSA-N 341.842 4.325 0 40 EIAB O=S(=O)(Cc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 4742087 YEULQEZWAIPGFL-UHFFFAOYSA-N 349.761 4.301 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5373977 GLDWNPBBQJAAKG-UHFFFAOYSA-N 328.437 4.080 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1Br 5425362 FCGIOBCHGDFROD-CQSZACIVSA-N 348.265 4.416 0 40 EIAB CN1CCC([C@H](O)c2ccccc2Sc2ccccc2F)CC1 5525420 GRKVHVAIJHJDTA-IBGZPJMESA-N 331.456 4.352 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 5892259 GLJGRIGLYXGVDG-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl 6439741 JORSSBALNRCQPK-UHFFFAOYSA-N 333.859 4.437 0 40 EIAB C[C@@H](NC(=O)CN1CCCCCC1)c1ccc(Cl)cc1Cl 6602165 WIZSQNWCIBHXEW-GFCCVEGCSA-N 329.271 4.047 0 40 EIAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1 7213321 YEMQMLDFBHUTJB-ZWKQNVPVSA-N 341.476 4.288 0 40 EIAB CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc(F)cc1 7699879 BFNVTIBRTBSSSN-CYBMUJFWSA-N 332.444 4.179 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccc2c(c1)nc1n2CCCCC1 7725413 HXCQSYHTNHTXTG-UHFFFAOYSA-N 337.398 4.083 0 40 EIAB Cc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1F 7955861 AXLIADQUDJLDIS-UHFFFAOYSA-N 326.293 4.204 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1F 8035229 VDIWOZASFSAUKF-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1 8767531 FDGSLZDSSIFGMI-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB Cc1ccc(Cn2c(CO)cnc2SCc2ccccc2C)cc1 9529052 TZJRHGDJJDRYAC-UHFFFAOYSA-N 338.476 4.333 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C)c4ccncc4)cc3c2C1 10132606 SXDSDHWPRXRBKN-KBPBESRZSA-N 333.435 4.179 0 40 EIAB O=C(Nc1cc(Cl)ccc1F)c1ccc(NC(=O)C2CC2)s1 10136910 QBSIJKKCBHBKBC-UHFFFAOYSA-N 338.791 4.141 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1cccc(F)c1F 10927813 VXLSHAZAAFZKKX-UHFFFAOYSA-N 331.293 4.318 0 40 EIAB O=C(OCc1nc2ccccc2o1)c1ccccc1NCc1ccco1 11330284 PSPDQQNMGAKWEM-UHFFFAOYSA-N 348.358 4.390 0 40 EIAB O=C(Nc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 12739270 QSTMRAMRUUJYJA-UHFFFAOYSA-N 346.365 4.054 0 40 EIAB COc1cc(NC(=O)c2csc(-c3ccsc3)n2)cc(OC)c1 12980581 QRCVBWOHLXLHJU-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2F)c(OC)c1 12995687 WPMJMCWMUAJNPR-KRWDZBQOSA-N 344.386 4.212 0 40 EIAB Cc1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1C 13049731 MNQQENCHEHIIFP-UHFFFAOYSA-N 349.386 4.172 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cnc3c(Cl)cccc3c2O)cc1 13687575 LIUPDFZTIHHKIS-UHFFFAOYSA-N 340.766 4.049 0 40 EIAB COCCCNCc1cn(Cc2ccccc2Cl)c2ccccc12 13722645 VJARGLOCPDPRMJ-UHFFFAOYSA-N 342.870 4.469 0 40 EIAB Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 13997621 CYHMLDKJXVCGLM-NSHDSACASA-N 326.227 4.397 0 40 EIAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCc2ccccc21 16780506 WIYJDSQPTGBDRY-OAQYLSRUSA-N 345.442 4.156 0 40 EIAB COC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 21991579 XWFWMYFLNHTEBF-ZBGUWCLVSA-N 330.468 4.308 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)c2cc(F)ccc2F)cc1 22655154 HYONFKRSWISEMD-UHFFFAOYSA-N 333.378 4.071 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2O1 25623386 PIHYXGFZZJJXRG-UNMCSNQZSA-N 343.426 4.090 0 40 EIAB Cc1ccc(Cn2nc(C)c(NC(=O)c3ccc(C)s3)c2C)cc1 27922164 BWQJFJUDEPJBRR-UHFFFAOYSA-N 339.464 4.479 0 40 EIAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 28245011 GNVNFLOYMHMAMW-ZWKOTPCHSA-N 335.382 4.062 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2cccc(C)c2C)c1 30752452 LNJQUCHEASVDAP-IBGZPJMESA-N 341.451 4.176 0 40 EIAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cc(-n2cccc2)ccc1Cl 32092836 NFXSKTFPTFBFTD-QLFBSQMISA-N 326.827 4.073 0 40 EIAB COc1ccc(CSc2noc(-c3cccc(C)c3)n2)cc1OC 32611976 ZFFBPTWAFBEZGN-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB CCc1cc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc2s1 32747064 PXIVYCBLSZYZSS-UHFFFAOYSA-N 338.354 4.088 0 40 EIAB Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3cnccn23)c1 35616224 CLFWZRDYTYXCTH-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB Clc1ccc(Cl)c(-c2nnc3sc(-c4ccncc4)nn23)c1 36365514 NTRQEMSDWQSKAL-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB c1ccc(-c2cn3nc(NCCc4cccs4)sc3n2)cc1 40058947 LXLOCNGAYVQXFK-UHFFFAOYSA-N 326.450 4.174 0 40 EIAB Cc1noc(C)c1CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 40549074 UQLQXDYLCYLBGX-UHFFFAOYSA-N 345.830 4.466 0 40 EIAB CCCCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 43209965 RCOYDSPDJDPSKM-UHFFFAOYSA-N 326.392 4.412 0 40 EIAB C[C@H](C(=O)N1CCC[C@@H]1c1ccsc1)n1cnc2ccccc21 44943617 GTIYKSVVRWNTRE-CZUORRHYSA-N 325.437 4.023 0 40 EIAB O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCCCCC1 48219217 DLXZFALPJYANRW-UHFFFAOYSA-N 329.375 4.421 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(c2ccc(O)cc2)CC1 55125101 IEJDLMZEKRDZDQ-VQTJNVASSA-N 339.410 4.041 0 40 EIAB Fc1ccccc1-c1nnc2ccc(N[C@H]3CCc4ccccc43)nn12 57136734 WRHMGZOXLMNNRE-KRWDZBQOSA-N 345.381 4.030 0 40 EIAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2CCCO2)cc1 61997252 FLBQNKAOQUKFJX-QGZVFWFLSA-N 349.386 4.090 0 40 EIAB CCOC(=O)c1cccc(Nc2ccnc3c(OC)cc(C)cc23)c1 64874669 PFLFBMXHTLPBMM-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB CCc1ccc2c(CSC[C@H](O)c3ccccc3)cc(=O)oc2c1 69309934 CLJMXMHHASGVLN-SFHVURJKSA-N 340.444 4.322 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 71844131 LNOXOANGZHSBNQ-DGCLKSJQSA-N 333.863 4.013 0 40 EIAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1coc(-c2ccccc2)n1 71876664 GVDZUHIVBCVDMU-GOSISDBHSA-N 336.439 4.029 0 40 EIAB O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1ccncc1Cl 73094534 VLSULNSMIVXQHR-ZDUSSCGKSA-N 341.625 4.459 0 40 EIAB C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 76632208 ILZBFBAKWIZNRP-LLVKDONJSA-N 345.805 4.059 0 40 EIAB Cc1c(C(=O)Oc2cccc(C(N)=O)c2)oc2c1ccc1ccccc12 84068083 AWVUOXAVSYPQIK-UHFFFAOYSA-N 345.354 4.213 0 40 EIAB O=C(CC/C=C/c1ccccc1)N1CCC[C@@H]1c1noc(C2CC2)n1 84515206 IFKSUCLGYUSIHK-MDGVGCGJSA-N 337.423 4.104 0 40 EIAB c1cncc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1 96047193 RPUADZYWQOMXDK-UHFFFAOYSA-N 341.524 4.021 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]2CCC[C@@H]21 96461423 VQMAMVDNFOAMED-YOEHRIQHSA-N 338.411 4.065 0 40 EIAB COc1ccccc1[C@@H]1OC2=Nc3cc(Cl)ccc3NC2=C1O 104240108 FZFMLMOMTLXHQR-INIZCTEOSA-N 328.755 4.345 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3ccccc3Cl)cc2)o1 216894175 IOVRQUYRJAVVGV-JXMROGBWSA-N 327.771 4.055 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C 223572728 STVZUIHSJCTSMY-KRWDZBQOSA-N 325.452 4.430 0 40 EIAB Cc1cccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 224039533 JRAVPYNCUAFNGV-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COCC(C)C 224447050 HSWNTXVIIOHCBN-UHFFFAOYSA-N 327.424 4.429 0 40 EIAB CC(C)c1nc(C2(NC(=O)c3occc3C(C)C)CCCC2)no1 225461129 NOPMPDGXOVQWIH-UHFFFAOYSA-N 331.416 4.109 0 40 EIAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225596904 LVZFBDVPIANBMI-KRWDZBQOSA-N 344.499 4.459 0 40 EIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1 225788751 YWSYPWJPJPGJQW-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)[C@@H](C)[C@H]1C 238855000 QBFXTPLFVTYROG-NBOOPKSLSA-N 332.488 4.056 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccco2)o1 575608042 IFTWRGOASBZLFA-UHFFFAOYSA-N 331.755 4.132 0 40 EIAB CC(C)[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 86836 MOWKPRHIVJNEAX-CHWSQXEVSA-N 329.223 4.459 0 40 EIAB Nc1c(-c2ccc(Cl)cc2)nnn1-c1cccc(C(F)(F)F)c1 248588 XPFYITDDFPVNAN-UHFFFAOYSA-N 338.720 4.189 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 324714 SOCGQTLJSOYTOH-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1 386047 RYAURKIEWGFUHE-UHFFFAOYSA-N 349.799 4.104 0 40 EIAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)N1CCCC1 413142 GBLZBELKZZTFFV-UHFFFAOYSA-N 328.481 4.129 0 40 EIAB Cc1cc2ccccc2nc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C 416339 NOLATKQENMGJET-GJZGRUSLSA-N 328.481 4.425 0 40 EIAB COc1ccc(-c2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 491015 JXPOUDKBFQQTLU-UHFFFAOYSA-N 338.359 4.030 0 40 EIAB biogenic NNc1nc(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 492588 OBOVHTIPZKAFNS-UHFFFAOYSA-N 342.446 4.464 0 40 EIAB CC(C)CN(CC(C)C)C[C@H](O)c1ccc(Br)cc1 1700088 IFPHFRSLRPFJOV-INIZCTEOSA-N 328.294 4.097 0 40 EIAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1 2694669 FRZJSTCALCJFPK-UHFFFAOYSA-N 342.347 4.493 0 40 EIAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)cc1C 2698856 ARFISIVYNPRIMR-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CCOc1ccccc1-c1cc(C(=O)n2cccn2)c2ccccc2n1 2761292 IBAHXZYWMHSBSR-UHFFFAOYSA-N 343.386 4.186 0 40 EIAB COc1cccc(CN(C)CC(=O)Nc2c(C)cccc2C(C)C)c1 3335729 HMNIPOLHAZLKJL-UHFFFAOYSA-N 340.467 4.198 0 40 EIAB CCN(C(=O)COc1ccccc1C)c1nc2c(C)cccc2s1 3421107 CEWHPJOVUFMONX-UHFFFAOYSA-N 340.448 4.345 0 40 EIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 3544522 NUSDFPBLCXDVSH-GFCCVEGCSA-N 340.473 4.366 0 40 EIAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4649100 MQNIJPKCLGNGST-UHFFFAOYSA-N 332.350 4.346 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 4666580 INHWBBYLORNGMZ-UHFFFAOYSA-N 345.398 4.107 0 40 EIAB OCCN[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 4984614 DUJIUZARXIXFNP-HNNXBMFYSA-N 328.626 4.299 0 40 EIAB in-vitro O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1 5307833 FAIRPHRODYZJKU-UHFFFAOYSA-N 349.839 4.076 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccccc2)c1 6350867 MLPDZBRWYJEYON-KRWDZBQOSA-N 342.464 4.301 0 40 EIAB Cc1ccc2c(COC(=O)Cc3ccc(Cl)cc3)cc(=O)oc2c1 6504147 WRAMBZSWBMMHQV-UHFFFAOYSA-N 342.778 4.041 0 40 EIAB O=C(Sc1nc2ccccc2[nH]1)c1ccc(Br)cc1 6554237 NOBOLSWPLGFVGA-UHFFFAOYSA-N 333.210 4.258 0 40 EIAB CCCNc1c(NC(=O)c2ccccc2F)c(=O)oc2ccccc12 6826636 YGTSFIUWQQWLED-UHFFFAOYSA-N 340.354 4.006 0 40 EIAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 7609477 DNLLRKASICWEDM-KRWDZBQOSA-N 344.842 4.123 0 40 EIAB O=C(Nc1ccc(F)cc1Cl)c1ccccc1Br 7969094 QEDXQJPVGGQIKV-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Br)cc2Cl)c(C)n1C 8051851 RENPUHBJVMTVLN-UHFFFAOYSA-N 341.636 4.310 0 40 EIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 8215037 UZGAOPMZEKTHOF-CQSZACIVSA-N 343.448 4.124 0 40 EIAB COCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8469104 GEQVQZGLRYWSMZ-UHFFFAOYSA-N 340.250 4.308 0 40 EIAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccc(F)cc1 8750431 PLYUGTWJXSKDST-SNVBAGLBSA-N 348.834 4.305 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(C)C)ccc2O)cc1 9064151 JSGALEXYWAQGQX-UHFFFAOYSA-N 342.464 4.205 0 40 EIAB CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(OC)c1 9141857 NXPHTJHELPHADA-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)c(C)c1 9359848 HWXZWWCJVPNFMG-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2ccccc2s1 9385086 BBLHDGDHHPPEDT-UHFFFAOYSA-N 340.404 4.121 0 40 EIAB CC1CCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)CC1 9576470 AIBNZHABXLUOJQ-LKGOPFMKSA-N 347.462 4.171 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(Cl)c2)c1C 9885398 MNRMUILGONYJQT-GFCCVEGCSA-N 348.830 4.145 0 40 EIAB CSc1nnc(-c2ccccc2NC(=O)/C=C/c2cccs2)o1 10434401 LCAOGHMNFMXMIW-CMDGGOBGSA-N 343.433 4.172 0 40 EIAB Cc1ccc(-n2nnnc2SCc2cccc3cccnc23)cc1C 11536835 XZKKFLKAWPBSBA-UHFFFAOYSA-N 347.447 4.120 0 40 EIAB c1ccc(CCCNc2ncc(-c3ccco3)c(-c3ccco3)n2)nc1 12144383 MNXWRYHHDCDLPL-UHFFFAOYSA-N 346.390 4.436 0 40 EIAB Cc1ccsc1CN(CCCO)Cc1c(C)oc2ccccc12 12291849 CWMMCXHXVOKDPH-UHFFFAOYSA-N 329.465 4.496 0 40 EIAB CC(=O)Nc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 12351679 YBOPPFZBKYAFKJ-NVNXTCNLSA-N 346.308 4.157 0 40 EIAB COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(C)n3)s2)c1 13690950 FGAURCRNSFRKRV-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 15619246 ZYRWPAXYJXMMPK-UHFFFAOYSA-N 348.805 4.213 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2cnc3c(cnn3C(C)C)c2)s1 16106863 LRVPWDRETRODME-VOTSOKGWSA-N 326.425 4.034 0 40 EIAB Cc1cccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)n1 19236346 UORYRQABJCOVIJ-MRXNPFEDSA-N 329.494 4.290 0 40 EIAB Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 19923738 DSJATCFZSMVQKI-UHFFFAOYSA-N 347.821 4.142 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(O)c(C(=O)O)c1 20145282 FZGNHQPIZJELTM-DHZHZOJOSA-N 349.342 4.002 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 20483679 JBFYNBRWMSYVRJ-ZIAGYGMSSA-N 347.842 4.383 0 40 EIAB CC1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 20806385 YCNCDZXLEPMBSO-HXUWFJFHSA-N 331.500 4.206 0 40 EIAB C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccc2c(c1)CCCC2 21398352 OFYVRHIOAHKWNW-VBKZILBWSA-N 337.488 4.460 0 40 EIAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cc(C)sc1C 22931854 CNQCVZKWTORICY-FQEVSTJZSA-N 343.540 4.246 0 40 EIAB O=C(CCCOc1ccccc1)Nc1ccccc1N1CCCCC1 24005783 FSAJELDQDWWKGD-UHFFFAOYSA-N 338.451 4.475 0 40 EIAB Cc1ccc(-c2nnc(SCc3ccccc3Cl)nc2O)cc1 24747962 XUFXGFVDWXHAEH-UHFFFAOYSA-N 343.839 4.498 0 40 EIAB COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2S[C@@H](C)C3)cc1 27788634 DZHZHZRFLKGFGW-HNNXBMFYSA-N 337.468 4.243 0 40 EIAB COc1cccc(CSc2nnc3cc(C)c4ccccc4n23)c1 28850383 SYPCABASSCONFE-UHFFFAOYSA-N 335.432 4.492 0 40 EIAB CCOC(=O)c1cc(NC(=S)Nc2ccccc2)ccc1Cl 30865319 JRYZLLDKZFQWBB-UHFFFAOYSA-N 334.828 4.326 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 31805696 CSDJEDVMTINRJG-IXEWLPCDSA-N 345.508 4.491 0 40 EIAB CN(C(=O)CSc1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 32905657 AKLDLFBDHWLTPS-KRWDZBQOSA-N 333.403 4.203 0 40 EIAB COc1ccc(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1F 32915471 LLGYJAJZEMTLDG-KRWDZBQOSA-N 335.444 4.342 0 40 EIAB CCc1cccc(C)c1NC(=O)CSc1ccc(OC)c(OC)c1 38752653 BYBMPHKUDXJYIO-UHFFFAOYSA-N 345.464 4.305 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(OC)c1 38772885 LBHNYGJHLJGEPI-INIZCTEOSA-N 343.423 4.117 0 40 EIAB CSc1ccc(CN(C)C(=O)CCCOc2ccccc2)cc1 40159567 YHTBLGBNWQZIBZ-UHFFFAOYSA-N 329.465 4.226 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 44884131 HQQWZKKXQABCQO-ACJLOTCBSA-N 347.842 4.383 0 40 EIAB CN(Cc1csc(-c2cnn(C)c2)n1)[C@@H]1CCCc2ccccc21 47265140 AMSDPQPFINEGMB-GOSISDBHSA-N 338.480 4.053 0 40 EIAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)C2CC2)o1 48234151 PSUKCDDULZDPEK-OAHLLOKOSA-N 339.435 4.035 0 40 EIAB CCCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)no2)s1 48261298 MQYXFPNQSVQTLW-CYBMUJFWSA-N 333.457 4.068 0 40 EIAB CC(C)OCc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 48354658 ZKYRBBQIBVDEIJ-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB Cc1ccc(OCCSc2nnc(C)n2-c2ccccc2)cc1 49582785 RBGNQUDVKZTKCO-UHFFFAOYSA-N 325.437 4.055 0 40 EIAB CN(Cc1ccco1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 57748242 OWYPVJXHQCFLKV-LJQANCHMSA-N 338.382 4.231 0 40 EIAB Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccccc2)CC1 65500025 DRFFRXJBSMALOQ-UHFFFAOYSA-N 347.462 4.294 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 65530486 QZJMEIVRROYAGG-JQWIXIFHSA-N 343.452 4.224 0 40 EIAB O=C(COC1CCCCC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 70019284 OZTQBOIQJIRDNW-UHFFFAOYSA-N 345.439 4.406 0 40 EIAB Cc1cc(S(=O)(=O)Nc2ccccc2C)c(Cl)cc1Cl 72414153 WAMZFHOYPMERSQ-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 75582594 MEDWFALGFGYFMQ-HOTGVXAUSA-N 325.456 4.150 0 40 EIAB CC(C)(C)OC(=O)NC1CCN([C@@H]2CCCCc3ccccc32)CC1 76093766 DCUDBIBOKZFOPO-LJQANCHMSA-N 344.499 4.443 0 40 EIAB C[C@@H](SCC(=O)NC1CCOCC1)c1ccc(Cl)c(Cl)c1 76394826 QMRPDFPKEONKKF-SNVBAGLBSA-N 348.295 4.083 0 40 EIAB O=C(c1ccc(-c2cscn2)cc1)N(Cc1cccnc1)C1CC1 87055072 APJNTSQLIIXFBK-UHFFFAOYSA-N 335.432 4.010 0 40 EIAB COc1ccc(F)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 88210011 DHEJCIBQRNWTJW-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB Cc1cc(C)cc(-c2cc(NC(=O)c3scnc3C3CC3)[nH]n2)c1 89810098 KEZOEOSTHSZSCH-UHFFFAOYSA-N 338.436 4.280 0 40 EIAB CC1=C(C(=O)N[C@@H](c2ccncc2)c2cc3ccccc3o2)CCCO1 95439518 WKYSPJXPLGFVBG-FQEVSTJZSA-N 348.402 4.118 0 40 EIAB c1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)nc1 96047192 OUTHWCHNRNZXEY-UHFFFAOYSA-N 341.524 4.021 0 40 EIAB CCn1nc(C)c(NC(=O)c2ccc(Oc3cccc(F)c3)o2)c1C 96183899 KOIOEIMVESZDGV-UHFFFAOYSA-N 343.358 4.297 0 40 EIAB Cc1ccc(CN2CCC3(CC2)C[C@H](Oc2ccccc2)CO3)s1 96221811 LTXDYEJQIJMKCI-SFHVURJKSA-N 343.492 4.259 0 40 EIAB Cc1cccc(Oc2cc(CN[C@@H](C)c3cnn(C)c3)ccn2)c1C 96478840 DCVAYYUFCFCQGL-INIZCTEOSA-N 336.439 4.075 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C2 105363733 GHWUZZCCPXLMSI-VHKLNFGVSA-N 328.500 4.135 0 40 EIAB COC[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C)O)CC1=O 118930972 WACMAERIMWMBMZ-SBWFFBJQSA-N 348.527 4.222 0 40 EIAB Cc1cnc([C@@H](C)NC(=O)c2cc3c(C(C)C)nn(C)c3s2)s1 177863159 FHTCZWSEJYEVFW-SNVBAGLBSA-N 348.497 4.014 0 40 EIAB O=C(O)c1cc(OCc2ccc3ccccc3c2)cc(Cl)c1O 216932718 KSKMOYLKUGCOPJ-UHFFFAOYSA-N 328.751 4.476 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC)c3)N21 222641287 AVGZLDJGSSZSAZ-ZTFGCOKTSA-N 339.464 4.070 0 40 EIAB Cc1cc(=O)n(C2CCCCC2)c(C)c1C(=O)Nc1ccccc1F 223813745 KCWFANDQLAHNHZ-UHFFFAOYSA-N 342.414 4.362 0 40 EIAB Cc1cccc(COC(=O)c2snnc2-c2ccc(F)cc2)c1 223843462 VPGCFURIGNPSOE-UHFFFAOYSA-N 328.368 4.010 0 40 EIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)s1 225005432 NHEDRVHBBOSBME-DLBZAZTESA-N 343.521 4.367 0 40 EIAB CCc1nc2ccc(NC(=S)NCc3ccccc3)cc2s1 225206647 FJLXDRDXPUREPY-UHFFFAOYSA-N 327.478 4.345 0 40 EIAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(OC)c(C)c1 225443785 BEQTZIARYXJPKY-QGZVFWFLSA-N 331.843 4.467 0 40 EIAB O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1conc1C1CC1 225555781 LYLCPURXBQAZMV-UHFFFAOYSA-N 348.406 4.004 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(F)c(F)c1 225644489 ZMVALOSRYKAEEW-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(C(C)C)cc1 225744307 MCNIQJZHIJTTEP-UHFFFAOYSA-N 334.419 4.072 0 40 EIAB COc1cccnc1NC(=S)N[C@H](c1ccc(C)cc1C)C(C)C 225766666 WPCUGJPNJVTFOE-KRWDZBQOSA-N 343.496 4.391 0 40 EIAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225799033 LXCJNUVGSQZNAI-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1 225915505 IMUWORJGYWTFCQ-UHFFFAOYSA-N 346.434 4.109 0 40 EIAB CC(C)n1cccc1CN(C)C(=O)c1ccc2nc(Cl)oc2c1 225984259 RYVJCFWUTGCNEX-UHFFFAOYSA-N 331.803 4.136 0 40 EIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1N 226266472 QZXUPRZKHVSHRK-ZDUSSCGKSA-N 327.403 4.039 0 40 EIAB COCC1(c2noc(COc3cc(C)cc(C)c3)n2)CCCCC1 564451730 AHQASAZXNPHNMI-UHFFFAOYSA-N 330.428 4.114 0 40 EIAB O=C(CCc1cccc(Cl)c1)NCc1cncc(-c2ccoc2)c1 575620002 IPOKDSSXCRNEFE-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB Cc1ccc(C)c(O[C@@H]2OCCO[C@H]2Oc2cc(C)ccc2C)c1 312357 FIWQEUYGWOXXMV-PMACEKPBSA-N 328.408 4.077 0 40 EIAB CC(C)CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 324604 RTJYOESOTMJYKP-AWEZNQCLSA-N 347.846 4.142 0 40 EIAB O=C(Oc1cccc2c(OC(=O)c3ccco3)cccc12)c1ccco1 348794 PJSZUCXAZKLIES-UHFFFAOYSA-N 348.310 4.464 0 40 EIAB Cc1ccc(Cn2cccc(NC(=O)CCC3CCCC3)c2=O)cc1 1354105 XMABHMVTFNZAFD-UHFFFAOYSA-N 338.451 4.114 0 40 EIAB OC1(c2ccccc2)CCN(C/C=C/c2ccccc2Cl)CC1 1692969 BJMVUTQTICUHQJ-SOFGYWHQSA-N 327.855 4.337 0 40 EIAB COc1ccc(CNCC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1OC 2098066 JYRQQKIOHWOXDX-OAQYLSRUSA-N 349.515 4.415 0 40 EIAB biogenic CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)c3ccccc3)cc21 2267422 PNHHYPFHWMUSNC-UHFFFAOYSA-N 329.421 4.062 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc(C)c1C 2657961 WNVNJQOWCXBHEH-LBPRGKRZSA-N 335.860 4.175 0 40 EIAB Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(O)cc2)cc1 3066282 UGPGYDXZYTZXRN-UHFFFAOYSA-N 339.416 4.228 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2ccccc12 3244423 NVQHIRLPVQWVET-UHFFFAOYSA-N 333.416 4.395 0 40 EIAB COc1ccc2oc(C(=O)OCc3ccc(OC)c(F)c3)c(C)c2c1 4319132 CMYJVPIGFDUNNU-UHFFFAOYSA-N 344.338 4.255 0 40 EIAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 4661426 JISBNTZNHYUXTA-XNTDXEJSSA-N 330.384 4.061 0 40 EIAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NCCC1=CCCCC1 4830104 QKWKOXYAGAFQAB-ZDUSSCGKSA-N 329.469 4.050 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4902952 AYCUOBHKGYYYNL-MRXNPFEDSA-N 333.435 4.194 0 40 EIAB O=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1 5773616 MHZXRLZKRAXSAK-UHFFFAOYSA-N 325.589 4.494 0 40 EIAB CCOc1ccc2nc(S[C@H]3C(=O)[C@H]4CC[C@]3(C)C4(C)C)[nH]c2c1 6380915 DMHROJCTYQWEMO-GFJSAUFNSA-N 344.480 4.448 0 40 EIAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3CC3)cc12 6510790 BCOLCAIYXJOHRF-UHFFFAOYSA-N 345.855 4.000 0 40 EIAB CCCCSC1=N[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N1 6665805 XHDLIODWWAHNBL-MRXNPFEDSA-N 332.469 4.057 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1C 7053037 YOOHJCMTNDSIFX-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB C[C@@H](OC(=O)CC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl 7108288 UFGDVBFDWODVND-SNVBAGLBSA-N 344.238 4.444 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccs1)c1ccc(Br)cc1 7645598 XAYKMHFDYJKQMI-ANYFNZRUSA-N 336.254 4.401 0 40 EIAB Cc1cc2nc(N3CC=C(c4ccccc4)CC3)c3ccccc3n2n1 7737994 UTSUBPDXTOVYGY-UHFFFAOYSA-N 340.430 4.485 0 40 EIAB CCOc1ccc(NC(=O)c2oc3ccccc3c2C)cc1OC 7973191 YNWHIDZCNDCLPK-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB CN(Cc1cccs1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 8720730 MEBOWSYXSYYLNB-UHFFFAOYSA-N 347.443 4.359 0 40 EIAB CC(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 8727388 ZJKOUCBMOABQPS-UHFFFAOYSA-N 335.359 4.314 0 40 EIAB O=C1CCc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc2N1 9134363 NVTMFTHFUVKOBE-UHFFFAOYSA-N 335.190 4.130 0 40 EIAB COc1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1Cc1ccccc1 12042624 HNGOOSQUQSCMMV-UHFFFAOYSA-N 348.402 4.069 0 40 EIAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)C(C)(C)C)C1 12239193 IOFYZNRQMAHNBW-KRWDZBQOSA-N 339.483 4.107 0 40 EIAB COC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccccc1F 12396019 WRBJHARLVJRNAO-UHFFFAOYSA-N 347.349 4.013 0 40 EIAB CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1C 12757349 NMFSPSXVFOSPHL-UHFFFAOYSA-N 333.435 4.464 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1 12793252 SDDUJUBMPTYJCA-GJZGRUSLSA-N 342.508 4.107 0 40 EIAB O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)c2cccs2)cc1 12824989 FZFCPGNSOVKKPJ-UHFFFAOYSA-N 340.379 4.392 0 40 EIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1ccc(Cl)cc1 12925024 YZQJCWQTVYLNIW-GOSISDBHSA-N 343.858 4.299 0 40 EIAB Cc1ccccc1-c1cc(C(=O)N2CCCC2)c2cnn(C(C)C)c2n1 12973489 DPGQCGINMOAGDH-UHFFFAOYSA-N 348.450 4.224 0 40 EIAB C[C@]12C/C(=C\O)C(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 15894335 ICMWWNHDUZJFDW-OOIZHRTASA-N 332.484 4.401 0 40 EIAB in-vitro COc1cc(NC(=S)Nc2cccc(C)c2C)cc(OC)c1OC 16213339 XGPMJZGYMSISMT-UHFFFAOYSA-N 346.452 4.138 0 40 EIAB CCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736210 SMMDKAJMQOGJAX-UHFFFAOYSA-N 342.439 4.489 0 40 EIAB COc1ccc(NC(=O)c2ccccc2C)cc1-c1ccc(CO)o1 20137423 DOSIPDLZWOCUJK-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(OC)cc1 20490856 KHJOFFVTMBLWGY-SFHVURJKSA-N 329.465 4.196 0 40 EIAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCOCC1 24649976 AKHYSOKNBOKXJA-UHFFFAOYSA-N 338.432 4.328 0 40 EIAB Cc1nc2ccccc2nc1S[C@@H](C)c1nc(C(C)(C)C)no1 28192449 QFIXIPNCLWDHFG-NSHDSACASA-N 328.441 4.472 0 40 EIAB CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Cl)cc1 31091774 GTBUNWVNOKQKGL-UHFFFAOYSA-N 343.608 4.359 0 40 EIAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3ccccc3F)c12 32885614 YMGDQRQNOSBIBL-UHFFFAOYSA-N 349.408 4.028 0 40 EIAB Cc1ccc2nc3sc(Nc4cccc(Cl)c4)nn3c(=O)c2c1 32952064 DRIZDHNFIGCELE-UHFFFAOYSA-N 342.811 4.010 0 40 EIAB Cc1nc(-c2ccc([C@@H](C)Nc3cc(Cl)nc(N)n3)cc2)cs1 40067559 QUHDOSTWCRQZKZ-SECBINFHSA-N 345.859 4.317 0 40 EIAB O=C(NCc1ccccc1)Nc1ccc(Br)cc1Cl 40103536 JAAUJHUWBZZAKA-UHFFFAOYSA-N 339.620 4.424 0 40 EIAB CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 40714425 RZJJDQNYCRCVCK-GMZAYQHBSA-N 339.439 4.003 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 44902830 PEVLBYLUSIJMLD-LJQANCHMSA-N 341.451 4.286 0 40 EIAB COc1ccc(Nc2ccccc2C(=O)Nc2cccc(C)n2)cc1 48333393 WZOPLCRWMGOBJF-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB CCN(c1cccc(C)c1)c1cnn(-c2ccccc2)c(=O)c1Cl 54362873 NVAFQEUOAVSKBU-UHFFFAOYSA-N 339.826 4.352 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4cccc(C)c4o3)nc12 57352680 YFGPEHXUOMXILH-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB CC(C)[C@H](NCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 57562962 GHJAWHRYKCONAR-SFHVURJKSA-N 334.822 4.405 0 40 EIAB Cc1cccc(CC(=O)N(CCc2ccccc2)Cc2ccccn2)c1 62017881 XWCGQJIXQDQIEG-UHFFFAOYSA-N 344.458 4.204 0 40 EIAB Cn1ccnc1-c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 65011515 QOLKAUGFIPMWFB-UHFFFAOYSA-N 342.402 4.130 0 40 EIAB O=C(CSCC(=O)c1ccccc1)Nc1cccc(C(F)F)c1 71185590 IZBYTCCXJTUEQX-UHFFFAOYSA-N 335.375 4.179 0 40 EIAB O=C(N[C@H]1CCC[C@@H]1n1ccnc1)c1sc2ccccc2c1Cl 71843162 IXLHSRJQJJHWTA-STQMWFEESA-N 345.855 4.275 0 40 EIAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc2ccccc12 72228899 QYAAHLYMDMEHES-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H](C)c1ccsc1 72950271 QZBLTHDJVJHCGI-GFCCVEGCSA-N 342.424 4.032 0 40 EIAB CCCN(Cc1cc(F)cc2cccnc12)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 78869630 ONZUQFBMUYPLNC-SXLOBPIMSA-N 342.458 4.399 0 40 EIAB Cc1c(CSC(C)C)cccc1NC(=O)NCc1cnn(C)c1C 89222602 VIODVRODJRNNGR-UHFFFAOYSA-N 346.500 4.000 0 40 EIAB COc1ccccc1[C@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 95419358 XYKWCHDODVTSRF-CABCVRRESA-N 340.423 4.064 0 40 EIAB O=C1N[C@@H](c2ncccc2C(F)(F)F)Nc2c1sc1ccccc21 95979981 FSDJBOCYHMVPPG-AWEZNQCLSA-N 349.337 4.169 0 40 EIAB CCN(CC)c1ccc2ccc(C(=O)Nc3ccc(OC)cc3)cn12 96264131 PJUPCTGCBNZOJL-UHFFFAOYSA-N 337.423 4.046 0 40 EIAB Cc1cccnc1CNC(=O)Nc1ccc(COC2CCCC2)cc1 96418114 VCHUZIQCBONIHZ-UHFFFAOYSA-N 339.439 4.171 0 40 EIAB Cc1nc(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)oc1C 96497011 UEQDMDCXWLASHX-QGZVFWFLSA-N 327.428 4.022 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(F)c(Cl)c1 96586349 MJMKDUUVDLQNKF-UHFFFAOYSA-N 333.790 4.375 0 40 EIAB O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)C1[C@H]2CCCC[C@H]12 101500446 XMIBVQJCQHXWIX-LNLFQRSKSA-N 325.383 4.290 0 40 EIAB CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C)c(C)c3)nn21 102112562 CALRFEUMZLUQJQ-NRFANRHFSA-N 346.434 4.097 0 40 EIAB Cc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)cc1F 195559151 RTUANOQVQZIVAI-NRFANRHFSA-N 325.836 4.278 0 40 EIAB O=C(c1cc2ccccn2c1)N1CCS[C@H](c2cccs2)CC1 219514396 VCFBFQWGQVRMBV-KRWDZBQOSA-N 342.489 4.321 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCCc2ccccc21 223160887 BDMUAVSDDKPPSE-INIZCTEOSA-N 335.447 4.312 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223217806 VQIFNSJACZBEAO-HOTGVXAUSA-N 337.463 4.382 0 40 EIAB CCOc1ccc(CNC(=O)c2ccc(C)cc2C)cc1OCC 224107639 LZCMDKWCJXGZJM-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB CCCCOCc1cc(C(=O)Nc2ccccc2F)ccc1OC 224436102 HSGDFVSNFCNNRN-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C 224440867 JQCGXJOUSFPODA-INIZCTEOSA-N 347.842 4.001 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1cccc2c1CCCC2 225545775 MIKXUDJNRSXCHP-JKSUJKDBSA-N 335.447 4.311 0 40 EIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCC)c(C)c1 225908479 KPYBDMBZERNJOG-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCn1cc(C(=O)Nc2cccc(Cl)c2C)c(=O)c2ccccc21 408713452 ZIBRVHIXDKFUMH-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1Cl 121569 SYDLYKJNLCMFKS-UHFFFAOYSA-N 347.201 4.084 0 40 EIAB CC[C@@H]1CCc2nc3sc(C(=O)NC4CCCC4)c(N)c3cc2C1 141907 SBRRLAKSWOXCDY-LLVKDONJSA-N 343.496 4.066 0 40 EIAB CCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 200761 APOHHZVAKRKDMO-LBPRGKRZSA-N 327.815 4.201 0 40 EIAB CC1(C)Cc2ccccc2-c2nnc(-c3ccc(Br)o3)n21 334201 NPEBZVFGUMBZTG-UHFFFAOYSA-N 344.212 4.259 0 40 EIAB COc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1 387599 XONCBPKNOQGECI-UHFFFAOYSA-N 348.431 4.254 0 40 EIAB OCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 473531 QTAMCWCBIHIGHV-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1 498654 PWKQDVVKYZCFLE-UHFFFAOYSA-N 333.347 4.376 0 40 EIAB Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1C 807916 MHDNOMXPILLSAV-UHFFFAOYSA-N 346.430 4.490 0 40 EIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1)c1ccccc1F 1370196 CVQZLJDIYUFKRF-QZTJIDSGSA-N 344.474 4.274 0 40 EIAB Cn1nc(C(F)(F)F)c2cc(-c3nnc(C(C)(C)C)o3)sc21 1392374 HUEGORWPOHKSFJ-UHFFFAOYSA-N 330.335 4.001 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccncc2)n1 1397261 BJTINXXCVKUILA-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 3501353 VLDUWWDYZRRTAS-AWEZNQCLSA-N 337.448 4.329 0 40 EIAB COc1cc(C)c(NC(=O)c2cc3c(s2)CCCC3)cc1OC 5616509 BVFMEKYROMZHEO-UHFFFAOYSA-N 331.437 4.205 0 40 EIAB CCOc1cccc2c1Oc1nc(-c3cccc(C)c3)nc(O)c1C2 6748575 HYCTUINRTIYBJR-UHFFFAOYSA-N 334.375 4.253 0 40 EIAB COc1ccc(-c2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1OC 7001508 HZMYFGMYYPWYMU-ZIAGYGMSSA-N 346.496 4.305 0 40 EIAB CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21 8266663 WQIDDIHNXZMZHP-MRXNPFEDSA-N 348.368 4.052 0 40 EIAB C[C@H](O)CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8498040 CDGOIMYJMMBEHS-LBPRGKRZSA-N 340.250 4.043 0 40 EIAB O=c1[nH]c(Cc2csc3ccc(Cl)cc23)nc2ccccc12 8691822 GTKIRYKODMTYFQ-UHFFFAOYSA-N 326.808 4.382 0 40 EIAB Cc1cc(NC(=O)[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)no1 8727311 FYSAYDIXUUDEPV-KRWDZBQOSA-N 341.798 4.428 0 40 EIAB O=C(/C=C/c1cccc(Br)c1)N1CCc2sccc2C1 10886023 VHZDONLQPDASGD-SNAWJCMRSA-N 348.265 4.109 0 40 EIAB O=c1[nH]c2ccccc2n1CCCSc1ccc2ccccc2n1 10962325 QPBOBYDETNQPCF-UHFFFAOYSA-N 335.432 4.060 0 40 EIAB CCCCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C 11565971 MMXAHOPEQQZQCO-UHFFFAOYSA-N 337.416 4.114 0 40 EIAB CCN(CC)C(=O)N1CCC2(C=Cc3cc(Cl)c(C)cc3O2)CC1 12187962 HFGRNAJNVWDLRY-UHFFFAOYSA-N 348.874 4.350 0 40 EIAB COc1ccc2c(C)cc(SCC(=O)N3CCCC[C@@H]3C)nc2c1 12533649 KBKTWYFBDXTFHV-AWEZNQCLSA-N 344.480 4.045 0 40 EIAB C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 12565045 OJZCIJPOSCEBPN-GFCCVEGCSA-N 331.847 4.472 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccn1 12607283 XVYUDQPIRYSZCH-FQEVSTJZSA-N 336.822 4.183 0 40 EIAB CCCc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)on1 12918650 VYWOKCCCXGBZQD-UHFFFAOYSA-N 336.819 4.387 0 40 EIAB O=C(N1CCSCC1)N1c2ccccc2Sc2ccccc21 13574240 MQLMENBWKXTPJW-UHFFFAOYSA-N 328.462 4.458 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13669567 MIEBUZMOPMJPTR-AWEZNQCLSA-N 341.451 4.492 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 13674987 FEUYLJQFFZDWFQ-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB COc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)c(OC)c1 13823368 PVMUCNUHWLOUPI-INIZCTEOSA-N 342.464 4.068 0 40 EIAB Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1C 15190268 BHSNLLHVDPMRJB-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB O=C1CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2N1 15912159 GIBPSJFUVAYLIK-UHFFFAOYSA-N 344.370 4.078 0 40 EIAB O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(F)c1 16097179 KTQIGDGSAIJBGE-UHFFFAOYSA-N 339.391 4.198 0 40 EIAB C[C@H](NCc1n[nH]nc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 16576098 IHZAQHLUYLVFSW-HILYYZTDSA-N 336.483 4.166 0 40 EIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](c1ccccc1)C1CC1 22135016 ZGDXIOHEZQWZCW-IBGZPJMESA-N 348.450 4.202 0 40 EIAB Cc1[nH]c(SCc2nnsc2Cl)nc1Cc1ccccc1 23274780 QUGRKWSGJXXIMC-UHFFFAOYSA-N 336.873 4.106 0 40 EIAB c1coc(-c2nc(CSc3nnc(NC4CC4)s3)cs2)c1 25350763 YGPLTNRZBJJQLA-UHFFFAOYSA-N 336.467 4.121 0 40 EIAB O=C(Nc1nncs1)c1sc2cccc(Cl)c2c1Cl 28225874 IPONGTWICOFKLL-UHFFFAOYSA-N 330.221 4.312 0 40 EIAB Brc1ccc(Nc2nnc(-c3ccncc3)s2)cc1 28637353 RUZWPWIFEXPGGF-UHFFFAOYSA-N 333.214 4.106 0 40 EIAB CN(C(=O)/C=C/c1ccc2c(c1)CCO2)[C@@H]1CCCc2ccccc21 29258990 ROULEBTXPKPSKH-ZAHGZRRWSA-N 333.431 4.171 0 40 EIAB O[C@H](CNc1ccc(F)cc1)COc1ccc(-c2ccccc2)cc1 35170669 QBVBACAEIFXSKH-HXUWFJFHSA-N 337.394 4.345 0 40 EIAB CCCCN(CCCC)S(=O)(=O)c1cccc(Br)c1 37395579 WBKOEIGBIUOZMN-UHFFFAOYSA-N 348.306 4.040 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1noc2c1CCCC2 40157122 PXAGHCPYRKGHHK-IBGZPJMESA-N 346.430 4.267 0 40 EIAB COCCN(Cc1ccsc1)C(=O)c1cc(Cl)ccc1Cl 42382197 RANQGQQMURIPFJ-UHFFFAOYSA-N 344.263 4.344 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccccc2N(C)C)nn1C(C)(C)C 44488690 APCUWDAYHPWFSB-UHFFFAOYSA-N 328.460 4.080 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 44883532 WFRQQNIDSKZPIB-JTQLQIEISA-N 340.206 4.408 0 40 EIAB C[C@@]1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1(Cl)Cl 45621333 UMSZDAMDNSEMDE-JTQLQIEISA-N 328.026 4.098 0 40 EIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1cccc2cccnc12 48299413 CSLYMEMJXWKZBJ-UHFFFAOYSA-N 348.490 4.452 0 40 EIAB CC(C)c1nc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cs1 48354314 FRWNDUHUMKUVJA-CQSZACIVSA-N 341.484 4.040 0 40 EIAB O=C(NCc1ccccn1)N1CCc2sccc2[C@@H]1c1ccccc1 58054952 VXNCTWLOSSTVRV-IBGZPJMESA-N 349.459 4.000 0 40 EIAB CCN(CC)[C@@H](CNC(=O)Nc1cccc2cnccc12)CC(C)C 58067045 RFLLFUJAXXIEQJ-QGZVFWFLSA-N 342.487 4.113 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(F)ccc1Sc1nccn1C 58136166 AVLBCNOLCRIONW-UHFFFAOYSA-N 341.411 4.271 0 40 EIAB Cc1c(C(=O)Nc2ccn(Cc3ccccn3)n2)sc2ccccc12 58331948 AGIJCNSOLVWMJD-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB COc1cn(-c2ccccc2)nc1C(=O)Oc1cccc2ccccc12 60913136 BOQLMCHTXCTFTQ-UHFFFAOYSA-N 344.370 4.253 0 40 EIAB Nc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2s1 72229801 GLHMSNCPUYNQSM-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB Cc1ccc(-c2nc(N3C[C@H](C)O[C@@H](C)C3)nc3ccccc23)cc1 72314707 JTZNBPKYISTZHL-HOTGVXAUSA-N 333.435 4.219 0 40 EIAB CCCCc1ccc(NC(=O)CCCc2nnc3ccccn23)cc1 72402427 MVDOCLBTHNVKNK-UHFFFAOYSA-N 336.439 4.033 0 40 EIAB CC(=O)Nc1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(F)cc1F 84671081 GQNVUUGNERCHBU-MEDUHNTESA-N 336.382 4.100 0 40 EIAB CCc1nc(CNc2cc(C(=O)N3CCCC3)ccc2Cl)cs1 86207940 CSQBBTIVRDVOEF-UHFFFAOYSA-N 349.887 4.207 0 40 EIAB O=C(CCCc1nc(C2CC2)no1)N1CCCCC[C@@H]1c1ccco1 89794493 ONURZLQCHIPAEQ-OAHLLOKOSA-N 343.427 4.007 0 40 EIAB C[C@H](NCc1cnc(C2CCC2)s1)c1cccc(-n2cccn2)c1 89905372 UHFRQVOCARRGDR-AWEZNQCLSA-N 338.480 4.447 0 40 EIAB CC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 95419433 YKLOBPSZXMXIHS-YWZLYKJASA-N 348.450 4.004 0 40 EIAB C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)C1CCOCC1 95439610 LGWROPMENODEJZ-VGSWGCGISA-N 349.474 4.375 0 40 EIAB Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)s1 96050866 SMAGSQOPVFRBNK-GOSISDBHSA-N 346.521 4.055 0 40 EIAB Cc1noc(Cc2ccccc2NC(=O)c2c(F)cccc2Cl)n1 96097039 PPHMKFQSOMCXAW-UHFFFAOYSA-N 345.761 4.014 0 40 EIAB Cc1ccccc1C(=O)NCc1ccc(C(=O)c2ccsc2)s1 96119828 BZCZYXNJFPJRMV-UHFFFAOYSA-N 341.457 4.279 0 40 EIAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 101275157 LRAQGNVQHHQBJH-OAHLLOKOSA-N 349.217 4.046 0 40 EIAB O=C(c1c(F)cccc1Cl)N1CCS[C@@H](c2ccco2)CC1 207006847 FZGNOXUYOMGJFZ-CQSZACIVSA-N 339.819 4.393 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3cc(C)ccc3C)ccc2c1 223768430 QOUHSTNAXGHDNV-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2cccc(Cl)c2)cc1 225608699 AECMTTHANKYVGY-SFHVURJKSA-N 345.870 4.491 0 40 EIAB O=C(NC[C@H](O)c1csc2ccccc12)c1c(F)cccc1Cl 225692834 KBWJVOCPCBCCKG-AWEZNQCLSA-N 349.814 4.157 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2c[nH]c3ccccc23)S1 260784366 WAAYIKXBXNEMJD-NXOUGTEYSA-N 334.448 4.152 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cncc2ccccc12 533996991 OOPLPTGPPTVGLG-GFCCVEGCSA-N 326.783 4.294 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 606422308 JHZGTCHZUVCWTA-MRBYEJRBSA-N 348.295 4.096 0 40 EIAB COc1cc2ccccc2cc1CNC(C)(C)[C@H](O)c1ccccc1 1621494481 UYIMLZZIWMSICU-OAQYLSRUSA-N 335.447 4.450 0 40 EIAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1F 200860 IEFNCCFFWVSCEZ-AWEZNQCLSA-N 339.414 4.201 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccc2nn(-c3ccccc3)nc2c1 277226 YCAZSKQWSITQNX-SDNWHVSQSA-N 340.386 4.072 0 40 EIAB CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 352885 MLKBODHRJMFJAA-VISDOYDDSA-N 334.419 4.305 0 40 EIAB CCCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O 1886807 SESLFFZCXNRRMP-UHFFFAOYSA-N 337.375 4.123 0 40 EIAB biogenic CCCOc1c(Cl)cc(C(=O)NCc2ccccc2)cc1OCC 2140783 BDQKVPMOCFQYNV-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2s1 2432544 KFENFWCEUFKFQI-LBPRGKRZSA-N 340.473 4.366 0 40 EIAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 3304506 YJNUSYXLPUIDNG-IRXDYDNUSA-N 338.451 4.395 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC 3565472 NYEGWDHJYKAFON-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 3607536 PFYTZNJCPQWPHR-GFCCVEGCSA-N 334.213 4.164 0 40 EIAB Cc1ccccc1-c1nnc(NC(=O)c2c(F)cccc2F)s1 4072449 XUJXGZUKFDYPLM-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 4168655 ZACJBTQYFHCMKJ-UHFFFAOYSA-N 329.812 4.100 0 40 EIAB CCCCOc1ccc(C(=O)Nc2sccc2C(=O)OCC)cc1 4275703 BQAUBYPCFQPEEF-UHFFFAOYSA-N 347.436 4.356 0 40 EIAB FC(F)(F)Oc1ccccc1-c1nnc(-c2ccnc(Cl)c2)o1 4289341 JCXYXSXDCXQVDE-UHFFFAOYSA-N 341.676 4.351 0 40 EIAB Nc1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O 5093901 RXPHLIAWRAZJSH-UHFFFAOYSA-N 349.615 4.193 0 40 EIAB in-vitro CNCCCNCc1c(OCc2ccccc2)ccc2ccccc12 5267230 FZKLDNOFPVAAMM-UHFFFAOYSA-N 334.463 4.118 0 40 EIAB COc1ccc(Cc2n[nH]c(=S)n2C2CCCCC2)cc1OC 6373160 CRDQCLWQRAWEPU-UHFFFAOYSA-N 333.457 4.054 0 40 EIAB O=S(=O)(Nc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 7402058 PLQCOBLGQIREQC-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB CCc1ccccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 7466586 FHFCNOROFQKWNS-UHFFFAOYSA-N 327.472 4.290 0 40 EIAB Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2o1 8109940 ZSYGPFANBFBEEP-UHFFFAOYSA-N 344.436 4.171 0 40 EIAB COc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1 8447903 RSASMHNATUXITB-UHFFFAOYSA-N 339.376 4.179 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSc1ccc(C)cc1 8496828 PIYZLTWOBBJZIB-IBGZPJMESA-N 343.492 4.369 0 40 EIAB CC(C)c1ccc([C@H](NC(=O)CSc2nncs2)C(C)C)cc1 8505436 SQWWUAYPZYUYBK-MRXNPFEDSA-N 349.525 4.267 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc2cccnc12 9455153 NTZGYGXWYUOKBF-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O[C@@H](CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 10772022 AZTVNYFLBPYDPA-AWEZNQCLSA-N 343.477 4.167 0 40 EIAB CCN(C(=O)COc1ccc(C=O)cc1)c1cccc2ccccc12 10966889 AZIVFYNEJVNQEZ-UHFFFAOYSA-N 333.387 4.084 0 40 EIAB Nc1nc(CSc2ccccn2)nc2sc3c(c12)CCCCC3 11334908 RKBXKRFPLDYPDO-UHFFFAOYSA-N 342.493 4.230 0 40 EIAB C[C@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1ccccn1 12115193 PFFZXEXKLPPEDB-AWEZNQCLSA-N 343.386 4.381 0 40 EIAB CC(C)(C)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 12401154 RHHXWBUDQZESHG-UHFFFAOYSA-N 333.501 4.381 0 40 EIAB CCN(Cc1ccncc1)C(=O)CSc1ccc2ccccc2c1 12511320 QMUKGKVZLMOQOE-UHFFFAOYSA-N 336.460 4.376 0 40 EIAB COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1O 12555834 USQWXRQKGXNBTN-HXUWFJFHSA-N 343.386 4.390 0 40 EIAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1CC=CCC1 12600641 FKADHCRCZAZLOX-ZDUSSCGKSA-N 327.405 4.408 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl 12889080 STCDQRRQNBCMON-GFCCVEGCSA-N 342.826 4.180 0 40 EIAB CC(C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12893855 RCSIQVPOMFOACN-UHFFFAOYSA-N 336.479 4.222 0 40 EIAB O=C(O)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 13166852 FDBVUHOKVHLWEC-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB COc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1F 15028822 SRXUEBOBFNDBEW-UHFFFAOYSA-N 339.819 4.010 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(-n3cccn3)cc2)c1 17361032 BBBVUSUAOIUMBD-UHFFFAOYSA-N 335.407 4.128 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)CCc1ccccc1 20043362 HJUZHVYGXNZSQD-PKOBYXMFSA-N 325.452 4.290 0 40 EIAB CCOC(=O)C[C@@H](NCc1ccccc1Cl)c1ccc(C)cc1 20506626 VZSKCKDLKFJZKZ-GOSISDBHSA-N 331.843 4.433 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 22423063 KBYJDKFVTOLSAJ-UHFFFAOYSA-N 339.370 4.378 0 40 EIAB CCOc1ccc2cc(C(=O)c3[nH]c(C)c(C(C)=O)c3C)oc2c1 22452675 IYWFJAUDISCLMI-UHFFFAOYSA-N 325.364 4.210 0 40 EIAB O=C(NCC1(c2cccs2)CC1)c1ccccc1C(F)(F)F 22680077 AIYBIWYKAJJTRU-UHFFFAOYSA-N 325.355 4.229 0 40 EIAB O=C(NCCc1ccccc1F)c1ccccc1COc1ccccc1 22690971 DUBOGLUECWDJAJ-UHFFFAOYSA-N 349.405 4.377 0 40 EIAB CCOc1ccccc1/C=C/C(=O)N(C)[C@H](C)c1ccccc1OC 25108751 JYHRHPPBXCQOEZ-UTZKEFOASA-N 339.435 4.327 0 40 EIAB C[C@@H](NC(=O)N(C)Cc1ccc(C(C)(C)C)cc1)c1ccccn1 26186423 XRLOWEALIFTYNK-OAHLLOKOSA-N 325.456 4.282 0 40 EIAB Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3ncccc3o2)c1O 30826527 UVYCKLPXRPMYRA-UHFFFAOYSA-N 345.358 4.156 0 40 EIAB O=C(CCCc1nc2ccccc2o1)NCCc1ccc(Cl)cc1 31815385 WVIWALZRMKBKBG-UHFFFAOYSA-N 342.826 4.163 0 40 EIAB O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccco1 32623246 GNJVTGMVSVXTHU-UHFFFAOYSA-N 349.321 4.388 0 40 EIAB O=C(c1csc(Cc2ccccc2)n1)N1CCCc2ccccc21 33145041 HZAQZPYKAANYQM-UHFFFAOYSA-N 334.444 4.327 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 36621148 ITAICSUFDYPZKK-ZDUSSCGKSA-N 341.885 4.236 0 40 EIAB CCc1cc(-c2ccc(/C=C/C(N)=O)o2)cc(C)c1Br 45889526 VHWRIWADGFDSPP-FNORWQNLSA-N 334.213 4.078 0 40 EIAB Clc1ccc(OCc2csc(-c3ncccn3)n2)c(Cl)c1 48355526 YIBLRSANKHETRO-UHFFFAOYSA-N 338.219 4.486 0 40 EIAB C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccccc1 56187736 AUGNKNYLLZGKMO-MRXNPFEDSA-N 347.418 4.100 0 40 EIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC=CCC2)c1 58201256 YJAVKKNOVULTDQ-CYBMUJFWSA-N 334.847 4.115 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C)C(C1CC1)C1CC1 65243376 QLDQOIFVTFEQDP-UHFFFAOYSA-N 329.875 4.455 0 40 EIAB CCN(C(=O)c1cccc(C(=O)N(C)C)c1)c1cccc2ccccc12 69414179 VCGGWTVJGKJSSF-UHFFFAOYSA-N 346.430 4.208 0 40 EIAB Clc1ccc(Cc2nn3c(-c4ccsc4)nnc3s2)cc1 71280032 ITJQZLCMMACNJG-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2)cn1)C1CCCC1 72215544 FFOSLGZVQSGEDC-INIZCTEOSA-N 331.460 4.190 0 40 EIAB CCCc1nc(C)sc1C(=O)Nc1nc(-c2cccnc2)cs1 72402671 NMBJSFNLBJFVQG-UHFFFAOYSA-N 344.465 4.175 0 40 EIAB O=C(c1nc2ccccc2s1)N1CCC(c2cccs2)CC1 75157034 AVLIIAKXMYZWII-UHFFFAOYSA-N 328.462 4.378 0 40 EIAB CC(C)[C@@H](C)N1Cc2cccc(NCc3nnc(C(C)(C)C)o3)c2C1 86205651 OOHAPKSBQZRQOR-CQSZACIVSA-N 342.487 4.339 0 40 EIAB CC(=O)Nc1c(C)cc(NC(=O)CCO[C@@H](C)CC(C)C)cc1C 87374982 OAHVLFFLOAAKSQ-HNNXBMFYSA-N 334.460 4.042 0 40 EIAB CCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 89986707 LFGRKYOKSXEOSZ-CQSZACIVSA-N 347.455 4.361 0 40 EIAB CN(Cc1ccc(C(C)(C)C)s1)[C@H]1CS(=O)(=O)c2ccccc21 92072836 BDXTXAGMIWAPSR-HNNXBMFYSA-N 349.521 4.006 0 40 EIAB C[C@H]1CCCCCN1C(=O)CCCCC(=O)N1CCCCC[C@H]1C 95959726 JBPNRYYRNSOQNA-HDICACEKSA-N 336.520 4.129 0 40 EIAB C[C@H]1CN(C(=O)Nc2cccc3[nH]ccc23)C[C@H](c2ccsc2)O1 95965905 ZPLYABLGEGUCBY-YVEFUNNKSA-N 341.436 4.223 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCSC(C)(C)C)ccc1Cl 113969489 BWQJKYNXZMBZFH-GFCCVEGCSA-N 329.893 4.064 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2OC(C)C)c1 219740182 RPMVTVCUAQOIOA-UHFFFAOYSA-N 341.407 4.211 0 40 EIAB COc1ccccc1CN(C(=O)OC(C)(C)C)c1cc(C)ccn1 228948758 HYADMZHQIILVFV-UHFFFAOYSA-N 328.412 4.340 0 40 EIAB Fc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@]34C2)cc1 247531831 PACOWZUQYBZXCZ-HQRMLTQVSA-N 342.483 4.299 0 40 EIAB COc1ccc(CSCC(=O)Nc2ccc(OC(C)C)cc2)cc1 408562575 BUJFAKGWIHIPQV-UHFFFAOYSA-N 345.464 4.354 0 40 EIAB CCS[C@@H](C)c1noc(-c2c(C(F)(F)F)nc3n2CCCC3)n1 596596864 WKVNEQVHFKHYMM-QMMMGPOBSA-N 346.378 4.102 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3c3ccc(C)o3)cc2)n1 604730912 QNHIZRCGTDEYKY-LJQANCHMSA-N 349.434 4.368 0 40 EIAB c1coc(-c2nc(CNc3ncc(C4CCOCC4)s3)cs2)c1 1615627393 YBZJOUOWUMCZQR-UHFFFAOYSA-N 347.465 4.366 0 40 EIAB CCCCCc1cc(O)c(Br)c(O)c1Br 1888982176 BLFFEMKTLHXRIX-UHFFFAOYSA-N 338.039 4.356 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1OCC 147450 JKZLUNUONZBAIZ-PKNBQFBNSA-N 329.371 4.275 0 40 EIAB Cc1cc(C)c2oc(-c3ccc(Br)o3)c(O)c(=O)c2c1 150940 HNLJDORGQSOUPV-UHFFFAOYSA-N 335.153 4.138 0 40 EIAB COc1ccc(-c2nc3ccc(C)cn3c2NC2CCCC2)cc1O 412112 ZSIVFXWBYADDAD-UHFFFAOYSA-N 337.423 4.378 0 40 EIAB CC1(C)[C@@H]2C[C@H](Sc3nnn(-c4ccccc4)n3)[C@@](C)(Cl)C[C@H]21 538421 SSQSSYIXOVMRJG-WVZRYYJFSA-N 348.903 4.187 0 40 EIAB Cc1ccc([C@]2(CC(=O)N3CCCC3)CCO[C@H](C(C)C)C2)cc1 554072 YAWLRKLUJJGWHP-PZJWPPBQSA-N 329.484 4.080 0 40 EIAB CCCC(=O)N(c1nnc(-c2ccc(OC)cc2)s1)C1CCCC1 1345510 NGDLLNKSPPQMHL-UHFFFAOYSA-N 345.468 4.289 0 40 EIAB COc1ccc(CNC(=O)c2oc3ccccc3c2-n2cccc2)cc1 1386309 OKRJYIXIGQGOOL-UHFFFAOYSA-N 346.386 4.162 0 40 EIAB Cc1ccc(-c2csc(CCNC(=O)Nc3ccccc3)n2)cc1 1415143 QMVVTNOLQIZUCT-UHFFFAOYSA-N 337.448 4.483 0 40 EIAB Cc1nn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc2c1Cl 2786706 CNVOJPSWYNIEGE-UHFFFAOYSA-N 337.713 4.024 0 40 EIAB Cc1sc2ncnc(N3C[C@@H](C)O[C@H](C)C3)c2c1-c1ccccc1 2887011 UNAJOSIFFBYPHL-CHWSQXEVSA-N 339.464 4.280 0 40 EIAB O=C(/C=C/c1ccco1)OCC(=O)c1ccc(Cl)cc1Cl 3235146 RCMZLYPIHFJJKC-GQCTYLIASA-N 325.147 4.026 0 40 EIAB O=C(CSc1ncnc2ccccc12)Nc1ccc(F)cc1Cl 3263577 GRTLQEGBEQMVFI-UHFFFAOYSA-N 347.802 4.153 0 40 EIAB COc1ccc(C=CC(=O)c2c(OC)cc3occc3c2OC)cc1 4293414 RRUROGXKDDNSPL-UHFFFAOYSA-N 338.359 4.355 0 40 EIAB biogenic CCN(c1ccccc1)[C@@H]1SC(=O)N(c2ccc(C)cc2)C1=O 4853072 XUMFAJZXWFPPTO-QGZVFWFLSA-N 326.421 4.047 0 40 EIAB CCOc1ccccc1Nc1nnc(S[C@@H]2CCCCC2=O)s1 6223733 ANCIQTNVNSEHRJ-CQSZACIVSA-N 349.481 4.284 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 6368710 MDQHBFGSZQLMIG-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB CC(=O)NCc1ccc(-c2csc(NCc3ccccc3)n2)cc1 7987379 RZWNPLBMLURWOI-UHFFFAOYSA-N 337.448 4.058 0 40 EIAB CC(=O)NCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 8042174 FZJFUZKKOLXVOD-UHFFFAOYSA-N 341.411 4.329 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 9140424 JJIHFXSATOPMPL-UHFFFAOYSA-N 348.855 4.038 0 40 EIAB Cc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)n1C1CC1 9217899 HAHYFHWDACOXGX-UHFFFAOYSA-N 330.388 4.008 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H]2CCCC[C@@H]21 9501709 MQSBCVOVHXHCCW-RZAXMFKLSA-N 341.451 4.042 0 40 EIAB Cc1cc(C)cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 11424604 FVPHAFLKYDTYOF-UHFFFAOYSA-N 349.409 4.369 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1 12422240 TVCRBZYDRGQPOU-AWEZNQCLSA-N 340.448 4.083 0 40 EIAB Cc1ccc2c(CN[C@@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 13000872 GFIATOHGMGHFEE-LBPRGKRZSA-N 329.346 4.230 0 40 EIAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 14094152 IFIIETYSMVBHMN-UHFFFAOYSA-N 342.445 4.255 0 40 EIAB Cc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1C 15732404 QNNWYWDQSWMOTO-UHFFFAOYSA-N 339.826 4.115 0 40 EIAB CC(C)c1nccn1CC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 19454402 AFMBGTUPXKSBNI-LBPRGKRZSA-N 345.830 4.284 0 40 EIAB O=C(C1CCCC1)N1CCc2nc(-c3cccc(F)c3)sc2C1 19719775 KVZVEVPTLRYZJO-UHFFFAOYSA-N 330.428 4.024 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)O)c(O)c1 20145281 CBWBYCVJGMMSQU-DHZHZOJOSA-N 349.342 4.002 0 40 EIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(-c2ccco2)on1 25712888 DHDRUGGGSOLJSO-MRXNPFEDSA-N 339.395 4.031 0 40 EIAB CC1CCC(N(C)C(=O)CN2CCc3sccc3[C@@H]2C2CC2)CC1 32836266 BHPWGBXKMDDILF-SGHGTVFPSA-N 346.540 4.094 0 40 EIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccc(F)c1 33825559 DTBKNCJZJKVUGY-AATRIKPKSA-N 336.746 4.165 0 40 EIAB CCn1c(Sc2nc3ccccc3s2)nnc1-c1ccco1 37132441 DQHILLROLGTFII-UHFFFAOYSA-N 328.422 4.319 0 40 EIAB O=C(NCc1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 40105157 AFYGLPSRFMTIDA-UHFFFAOYSA-N 333.416 4.017 0 40 EIAB COc1ccc(CCC(=O)NCc2ccc3ccccc3c2)cc1OC 45200985 LLUYMLFSTGIANW-UHFFFAOYSA-N 349.430 4.106 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 47339053 BJHPRBFGPURCCI-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB CCCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 54363247 NSISGIXLNSDAJA-UHFFFAOYSA-N 341.517 4.277 0 40 EIAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1nnc(C(C)(C)C)s1 56737184 YFQOOPBRVVBQTN-SECBINFHSA-N 336.486 4.048 0 40 EIAB Cc1cnn(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 58367831 OTQQRCDXMIKLTH-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB COC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1C 59107162 BUSJXPHXLCMLJP-UHFFFAOYSA-N 349.839 4.166 0 40 EIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccc(F)cc1 65595380 CQUKVXAYTMOXDP-GFCCVEGCSA-N 331.416 4.173 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(Cl)c1 67944178 DCENLVOAILVKMC-UHFFFAOYSA-N 327.771 4.032 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4cn[nH]c4c3)s2)o1 69390330 SFXXGMKTKUEPNU-UHFFFAOYSA-N 338.392 4.149 0 40 EIAB CCCCCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 69742981 XYYUHJQPXQVJQK-UHFFFAOYSA-N 343.496 4.491 0 40 EIAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCCC1 72216109 PRTWJHLZYVWDHN-LJQANCHMSA-N 335.451 4.049 0 40 EIAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccncc3)C2)c1 72358563 DXSQOAUITVYQKD-HXUWFJFHSA-N 344.462 4.227 0 40 EIAB O=C(c1cccc(C[S@](=O)CC2CCCCC2)c1)N1CCCCC1 77478557 HCIMDIUSHNNOJA-DEOSSOPVSA-N 347.524 4.142 0 40 EIAB C[C@H]1CO[C@H](C)CN1C(=O)c1cc2sc3ccccc3c2s1 84705530 GCJMTZUUGJVYCA-WDEREUQCSA-N 331.462 4.365 0 40 EIAB CCCCc1noc([C@@H](C)SCC(=O)Nc2ccccc2C)n1 89954880 PGEZSHLOKBTDDZ-CYBMUJFWSA-N 333.457 4.154 0 40 EIAB CCCCc1noc([C@H](C)SCC(=O)Nc2ccccc2C)n1 89954881 PGEZSHLOKBTDDZ-ZDUSSCGKSA-N 333.457 4.154 0 40 EIAB CCCCn1c(S[C@H](C)C(F)(F)F)nc2ccccc2c1=O 95965216 AILUNWJIPHBBGX-SNVBAGLBSA-N 330.375 4.240 0 40 EIAB COc1ccccc1-c1nc2nccc(-c3cc4ccccc4o3)n2n1 96345053 AUFHFNVHWDGHMG-UHFFFAOYSA-N 342.358 4.213 0 40 EIAB Cc1cc(C)n(-c2ccc(C[S@](=O)Cc3ccc(F)cc3)cc2)n1 96448058 IXWFUFIHTKBNGV-DEOSSOPVSA-N 342.439 4.077 0 40 EIAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC(C)C)(C4)C2)C3)cc1 100771245 QBXCGSSUJJREPT-AJHHTPGJSA-N 327.468 4.058 0 40 EIAB Cc1occc1SCc1nnc(C(=O)Nc2ccc(F)cc2)s1 131446742 JDZAPCUJAPXMME-UHFFFAOYSA-N 349.412 4.123 0 40 EIAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)n1 170569283 XBZHWOYUIYZEIZ-MRXNPFEDSA-N 346.434 4.328 0 40 EIAB C[C@H](CN[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)c(F)c1 211240279 YTTXEOOTKXWBBQ-PSVOKBTDSA-N 337.435 4.157 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCS[C@H](c2ccco2)CC1 219402789 AATBZXCGINOWNK-NSHDSACASA-N 327.858 4.315 0 40 EIAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(C)cc1C 222654370 NGVKGOTWMQICCW-GOSISDBHSA-N 339.435 4.232 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223451005 CAJKLYBCNONGNA-ZDUSSCGKSA-N 337.341 4.098 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 224920053 MURUKIXVYIHJSU-QGZVFWFLSA-N 338.451 4.310 0 40 EIAB Cc1ccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225082108 MCEIKLXEVSRFSF-AWEZNQCLSA-N 325.191 4.377 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Oc1ccccc1Cl)C(=O)O 225120010 DGJACPDZAZGVNS-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB COc1cccc2cc(C(=O)NCc3ccnc(-c4ccco4)c3)oc12 225655095 CIMSPSZSFDVSAC-UHFFFAOYSA-N 348.358 4.026 0 40 EIAB Cc1ccccc1-c1noc(CCC(=O)Nc2c(C)cccc2C)n1 225815344 XJEPZYLJOGLZNF-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CCCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)cc(O)c12 238771427 OESKKCPWXBEVOI-UHFFFAOYSA-N 332.396 4.166 0 40 EIAB biogenic,in-vitro CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(C)=O)cc1 408679689 JVVUWEHQBNUMGP-KRWDZBQOSA-N 346.814 4.095 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cccs1 585147859 DMNIJMPQFMPMRG-SNVBAGLBSA-N 335.475 4.002 0 40 EIAB CCCc1nc(-c2cc(OC)ccc2OC(C)C)ccc1C(=O)O 585266008 YNDASINTOIMBBK-UHFFFAOYSA-N 329.396 4.195 0 40 EIAB CC(C)n1c(NC(=O)[C@H]2CCOc3ccccc32)nc2ccccc21 618855177 FHPRHOONYCYTIX-HNNXBMFYSA-N 335.407 4.122 0 40 EIAB Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 222334 CRWSCNNBAURXLK-HUUCEWRRSA-N 346.221 4.126 0 40 EIAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(Cl)cc1Cl 315780 ZWEYIKLBKSEVFP-VGOFMYFVSA-N 336.149 4.477 0 40 EIAB Cc1ccccc1-n1nc2c(c1NC(=O)C1CCCC1)CSC2 425758 GCLNNTQLQNLQFW-UHFFFAOYSA-N 327.453 4.056 0 40 EIAB O=C(c1cccs1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 1385608 OYQUETXCQXMWSO-SCLBCKFNSA-N 337.400 4.039 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@@H]2CC[C@H](C1)N2C 2024813 FETLJBXPGXXLIH-DLBZAZTESA-N 332.875 4.333 0 40 EIAB CCCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 2181881 QSXOKLGLJHHQFB-UHFFFAOYSA-N 334.847 4.212 0 40 EIAB O=C(NC[C@@H]1CC1(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 3423476 CEOHLJLDAZQMNT-LURJTMIESA-N 328.026 4.309 0 40 EIAB CN(Cc1ccccc1)C(=O)COc1ccc2oc3c(c2c1)CCCC3 3447992 QWTSTKQKFXMJBA-UHFFFAOYSA-N 349.430 4.349 0 40 EIAB Cc1cc(C)n2nc(SCc3ccc(Cl)cc3Cl)nc2n1 3467191 RBWKXOBKUCOWRP-UHFFFAOYSA-N 339.251 4.340 0 40 EIAB CC(C)CCCCCCOc1ccc([C@H](CC(N)=O)CC(=O)O)cc1 4024672 ZCGJBJLIAOLTAB-QGZVFWFLSA-N 349.471 4.106 0 40 EIAB biogenic COc1cccc(-c2nnc(Nc3nc4ccc(F)cc4s3)o2)c1 4137793 AUHRKZFAETVRCN-UHFFFAOYSA-N 342.355 4.238 0 40 EIAB CCSc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 4938665 KDWIHELFJBHBEH-UHFFFAOYSA-N 326.465 4.307 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4977673 JVSNEQVFZFOPEO-QGPMSJSTSA-N 332.440 4.156 0 40 EIAB C[C@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc12 5323451 NJNLXENWMKKLLB-HNNXBMFYSA-N 339.410 4.028 0 40 EIAB Clc1ccc(CSc2n[nH]c(-c3ccncc3)n2)c(Cl)c1 5996053 NLYFCPHFVIUOEK-UHFFFAOYSA-N 337.235 4.466 0 40 EIAB COc1cc2c(cc1[C@@H](C)c1ccc(Br)cc1)OCO2 6437374 PVJDQUXSJBSMJX-JTQLQIEISA-N 335.197 4.338 0 40 EIAB O=C(O)c1ccc(Cn2ccc3cc(Br)ccc32)cc1 6615274 TYFNECYKIVHXFE-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1OCC 6617541 MTXONXWRWNWVCA-UHFFFAOYSA-N 331.437 4.458 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 7053146 DQVADEIJZPZAOG-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB O=C(O)c1ccc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc1 7913770 JAFPIZLUXQROLR-UVTDQMKNSA-N 326.739 4.172 0 40 EIAB CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 7935349 HZPIMWLVDTWPNR-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC(C)C)cc1 8041134 YWTRUSORYAZINK-KRWDZBQOSA-N 331.387 4.409 0 40 EIAB CNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 8377333 FBNAKCQYTMONPB-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 8535287 JIXCUFQQQNRGJI-MRXNPFEDSA-N 344.414 4.430 0 40 EIAB FC(F)Oc1ccc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1 8992891 CPFBAAITEHSUDH-UHFFFAOYSA-N 346.362 4.333 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 10275718 GYPURTCNFSETFC-ZDUSSCGKSA-N 335.444 4.163 0 40 EIAB CCCOc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 12802287 KZWCFKIFBCQNTP-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB COc1ccc([C@@H](C)NC(=O)Cc2ccc3ccccc3c2)cc1F 12975100 WHVTXKXJEIOAQW-CQSZACIVSA-N 337.394 4.407 0 40 EIAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)(C)C 14258104 VUQRKJTZINYIQX-UHFFFAOYSA-N 342.830 4.367 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 15525374 KLOJYXWANZDYOG-SFHVURJKSA-N 337.419 4.052 0 40 EIAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)CCC3 18195090 SBAFILPIFVDVLE-UHFFFAOYSA-N 343.839 4.273 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(Br)c(C)c1 19806557 UFYWLPWFIJPUKH-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(C)=O)cc1 20487722 UIAFBJUBPIJSQZ-QGZVFWFLSA-N 346.814 4.095 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 20897342 YUGZJATWOIRVKL-ZDUSSCGKSA-N 344.480 4.409 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 21475527 JRBFCLNHICSOFP-SECBINFHSA-N 345.449 4.237 0 40 EIAB COc1cccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c1 22890172 GTMDLOPUUNJEGK-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB CC(C)c1ccc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 31817715 GWEJTVPDOFCOBW-UHFFFAOYSA-N 341.432 4.116 0 40 EIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCSc2ccccc21 37975172 PKKTWVOEKJSLGK-UHFFFAOYSA-N 325.220 4.141 0 40 EIAB C[C@H](NC(=O)Cc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 40025775 HXUFUEVLORFAIQ-SCUMNGBJSA-N 348.490 4.498 0 40 EIAB COc1cc(C)c(N[C@@H](C)c2nnc(-c3cccs3)o2)cc1OC 40463486 DYWWTUSKBHQPMA-NSHDSACASA-N 345.424 4.297 0 40 EIAB Cc1c(Cl)cccc1NC(=O)NC[C@@H](c1cccs1)N(C)C 43174699 SMVHZZFXXXZFAC-AWEZNQCLSA-N 337.876 4.134 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 44903845 DJHHDGCSKSDSOW-BEFAXECRSA-N 329.415 4.477 0 40 EIAB Cc1ccc(OC2CCN(c3ncnc4sccc34)CC2)cc1C 52426542 AFWJNRFDCHCDCR-UHFFFAOYSA-N 339.464 4.356 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1Cc1ccccc1Cl 55525344 AQZPKEMPHCAXLQ-INIZCTEOSA-N 346.858 4.111 0 40 EIAB CC(C)c1nc(CNCc2cccc(NC(=O)C3CCC3)c2)cs1 58208982 PCBZMMXTVFVFIE-UHFFFAOYSA-N 343.496 4.295 0 40 EIAB Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccccc1Cc1ccccc1 71794662 ZGIQBUCGBBFZKL-BUHFOSPRSA-N 346.430 4.247 0 40 EIAB CCN(CC)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72212924 QKLMXAUOKXYECU-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72214571 ZSOGPCVLWALPEA-MRXNPFEDSA-N 333.476 4.294 0 40 EIAB CCC(=O)N1CCC[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 72353844 MPVSPXGCEDRXIM-FQEVSTJZSA-N 336.479 4.405 0 40 EIAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)c1 75359550 ZVUYPFHKZSIAMX-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@@H](c1nccs1)C1CC1 76040953 POZOFQDTJPJKOZ-MRXNPFEDSA-N 345.855 4.088 0 40 EIAB C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 89894252 OBIJBSBNZJHLAJ-HOTGVXAUSA-N 340.423 4.104 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@H]1CCOC1 89910150 XNPOEYJMVYDXPL-KGLIPLIRSA-N 346.452 4.141 0 40 EIAB COc1ccc(C(=O)O[C@@H](C)c2nccs2)cc1-c1ccccn1 89913773 STBWVCGABSTCQZ-LBPRGKRZSA-N 340.404 4.132 0 40 EIAB Cc1ccccc1-c1nnc(CNc2ccc3c(c2)C(=O)CCC3)o1 95414901 RNCGEPMCJANPDR-UHFFFAOYSA-N 333.391 4.176 0 40 EIAB CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 96659503 DFNURBKAVDQTMN-UHFFFAOYSA-N 343.807 4.067 0 40 EIAB CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2Cc1ccoc1 101159985 HEYXXBUDMDVUNQ-SESVDKBCSA-N 325.452 4.490 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCc2ccco2)c1 223308422 PSYZFRMESSIDMG-INIZCTEOSA-N 329.440 4.228 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)CSc2ccc(Cl)cc2)c1 224054039 XUPKBHLYJPUOFI-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)CCc2ccccc2Cl)c1 224098804 FSPZVVYDUKFQNU-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC[C@H](C)c1ccccc1 224451854 VEGQFFLRBFFOAD-FXAWDEMLSA-N 325.452 4.381 0 40 EIAB Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(NN)nc12 226309292 BKGVAOBFIYKFSS-UHFFFAOYSA-N 340.452 4.266 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253498200 NCMZQTLCXHGLOK-ORJOSYTKSA-N 330.468 4.450 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 408979239 LQEPLUVCTGFFTF-GOSISDBHSA-N 340.423 4.119 0 40 EIAB Cc1ccc(-c2nnc(-c3cc4cc(Cl)ccc4oc3=O)o2)cc1 273942 CXBILPHUACFQRL-UHFFFAOYSA-N 338.750 4.472 0 40 EIAB COc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 489574 GBIFCRZAZCBEGU-QGZVFWFLSA-N 337.419 4.121 0 40 EIAB biogenic Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1934471 CYQWVGBDUNHUAB-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 2550683 BVXBOSFRFPTSOV-ZWKOTPCHSA-N 338.407 4.260 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(C(C)=O)cc1 2653868 LSWLZXIDBUOQRJ-CQSZACIVSA-N 325.408 4.420 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 3448385 RMTTUUZIIQIHHF-UHFFFAOYSA-N 327.236 4.260 0 40 EIAB COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(Cl)c2C)c1 3554140 OTXBFOGCHFEKRZ-JXMROGBWSA-N 331.799 4.318 0 40 EIAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2)n(CC(C)C)c1C 5262898 MOVCJZLTPJKMFN-OAHLLOKOSA-N 331.485 4.275 0 40 EIAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccccc1 5403648 AOGRYKSCRLZZPP-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1 5454702 YCEKPKDAAOIPNY-UHFFFAOYSA-N 334.242 4.321 0 40 EIAB O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1c(F)cccc1Cl 6480227 VOXMLCCDUJFPAL-NTUHNPAUSA-N 336.775 4.044 0 40 EIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(F)cc1 6510664 GRFDEOKVQMUKSA-FMIVXFBMSA-N 326.758 4.133 0 40 EIAB Cc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(C)cc32)cc1 6556711 SUGUMMPTBAARKB-UHFFFAOYSA-N 326.403 4.132 0 40 EIAB CSc1nc2ccc(NC(=O)Cc3ccccc3F)cc2s1 6585083 JEEBDJAXMJMJSZ-UHFFFAOYSA-N 332.425 4.339 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 6590057 RSTARVCDDQJIDX-UHFFFAOYSA-N 332.444 4.486 0 40 EIAB CC(C)NC(=S)Nc1cc(Cl)ccc1N1CCCCCC1 6822477 DCASMOHSCOZJDI-UHFFFAOYSA-N 325.909 4.415 0 40 EIAB Cc1cc2oc(=O)cc(C)c2cc1OCc1nc2ccccc2nc1C 6922342 ZKDCORRFHLQFDD-UHFFFAOYSA-N 346.386 4.240 0 40 EIAB CC(C)[C@@H](NC(=O)c1cncc(Br)c1)c1cccs1 7078174 BANLGTFPLYHMBG-CYBMUJFWSA-N 339.258 4.033 0 40 EIAB CCc1nnc(S/C(=C\c2cccc(Cl)c2Cl)C(=O)O)o1 7603386 IFSUELTXAJICJL-TWGQIWQCSA-N 345.207 4.157 0 40 EIAB Cc1c(O)ccc2c(CSc3cc(F)ccc3F)cc(=O)oc12 7755316 APADQJGPBJKZRR-UHFFFAOYSA-N 334.343 4.378 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 7935372 JIXDFNWXLJMTBY-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 7969771 PVDCDPAPMMLEOF-KUHUBIRLSA-N 327.424 4.472 0 40 EIAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1c(C)noc1C 8032158 WQBUCPONVAYUMJ-UHFFFAOYSA-N 328.456 4.178 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1Cl 12565332 GFCMPDAEIFSTRB-GFCCVEGCSA-N 344.842 4.276 0 40 EIAB CCSc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1 12654250 JALNFZIMHUBVFI-UHFFFAOYSA-N 345.855 4.440 0 40 EIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 12781542 RPGVYGLWULXTGE-UHFFFAOYSA-N 331.343 4.445 0 40 EIAB O=C(Nc1ccccc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12906941 DRCOMOGEWQSYBF-UHFFFAOYSA-N 349.287 4.283 0 40 EIAB Cc1cc(C)cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 13000372 MBNDXGVMZAVQLQ-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccc(Br)cn2)cs1 13746826 SWGZESSOWAOHOD-UHFFFAOYSA-N 325.231 4.281 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)cc1 14423322 LTLHFFSZUVNAKZ-UHFFFAOYSA-N 330.225 4.351 0 40 EIAB Cc1cnc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)s1 14662343 OXOVMMXFTWOEAW-UHFFFAOYSA-N 347.440 4.204 0 40 EIAB O=C(Cc1csc(-c2ccccn2)n1)N[C@@H](c1ccccc1)C1CC1 14708886 BWUXCSRJIOWPOS-IBGZPJMESA-N 349.459 4.015 0 40 EIAB O=C(Nc1cccc2c1CCCC2)[C@@H]1Cc2cc(Cl)ccc2O1 15582646 UWPMHYHYRUSHEC-SFHVURJKSA-N 327.811 4.161 0 40 EIAB O=C1N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 16488243 BYCFALWAWHUVIZ-ZSOIEALJSA-N 333.174 4.091 0 40 EIAB Cc1cc(NC(=O)c2ccccc2F)ccc1-c1ccc(CO)o1 20137749 WJLGPYIRMAPOFN-UHFFFAOYSA-N 325.339 4.139 0 40 EIAB Cc1sc2nc([C@@H](C)Nc3ccc4c(c3)CCC4)[nH]c(=O)c2c1C 23865862 NGLAHAUKHLINAC-LLVKDONJSA-N 339.464 4.263 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 23954669 UYWVQISUDOXWOT-INIZCTEOSA-N 337.463 4.384 0 40 EIAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)C1CCCCC1 28305120 DEBPQDHAMITXCG-UHFFFAOYSA-N 335.810 4.243 0 40 EIAB Cc1cnc(NC(=O)c2sc(Cc3ccccc3)nc2C)s1 32914358 RUIWDPXIXHEXSB-UHFFFAOYSA-N 329.450 4.060 0 40 EIAB CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C3CC3)nc21 36617081 HQCOHQUQUVFOFJ-ZETCQYMHSA-N 343.374 4.321 0 40 EIAB CC(C)(C)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832344 KZCPIRBZDRSOJX-LBPRGKRZSA-N 343.298 4.120 0 40 EIAB CCn1c(C)cc(C(=O)CSc2nncc3ccccc23)c1C 40057592 DDDMUCSOQUDNJF-UHFFFAOYSA-N 325.437 4.043 0 40 EIAB O=C(c1cc(F)c(F)cc1Cl)N1CCCc2ccc(F)cc21 40117185 UXYIRQVRNBKZSC-UHFFFAOYSA-N 325.717 4.350 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)CC1 40142216 NYAVASYEUMYARC-SFHVURJKSA-N 339.464 4.311 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CSCc2ccccc2)c1 46656143 BRHXCOXCOISYLX-UHFFFAOYSA-N 329.465 4.023 0 40 EIAB COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@@H]1[C@H](O2)C1(C)C 49181472 NGRRXMZEVSBATO-YHBQJITHSA-N 336.387 4.286 0 40 EIAB biogenic,in-vitro OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccnc2)C1 49544618 UUCIXQPITXWZBI-OAHLLOKOSA-N 338.798 4.103 0 40 EIAB Cc1ccc(NC(=O)c2cc(C)oc2C)c(OC[C@H]2CCCO2)c1 58179771 XMWKUIAGQJPRJW-OAHLLOKOSA-N 329.396 4.015 0 40 EIAB COc1ccc(OC)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c1 59186136 FNIDQAOCOKSIAH-ZSOIEALJSA-N 349.308 4.215 0 40 EIAB Clc1cccc(-c2nnn3c2nc(N2CCCC2)c2ccccc23)c1 67262676 INNIALLLRVFMTM-UHFFFAOYSA-N 349.825 4.198 0 40 EIAB CN(Cc1cscn1)C(=O)c1ccccc1N(C)c1ccccc1 69351445 PKWWUVVJPGSRNS-UHFFFAOYSA-N 337.448 4.183 0 40 EIAB Cc1nc2cc(C(=O)N(C)c3nccs3)ccc2n1-c1ccccc1 69816338 NIRNKFFVYFZOCL-UHFFFAOYSA-N 348.431 4.067 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)CCOCc2ccccc2)n1 72273867 UKMQLSKYSYVXJI-KRWDZBQOSA-N 344.480 4.112 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)cc1 72299744 PSAMANHUXSNCAO-JOKNJTHLSA-N 347.890 4.119 0 40 EIAB Cc1ccc(/C=C/S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1 72301047 YZXAIYZIYHJJSL-BQYQJAHWSA-N 337.828 4.075 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)cc1 72330106 KOTVKXCCBQZHLR-UHFFFAOYSA-N 349.789 4.398 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)Cc2nnc(-c3ccc(F)cc3)o2)s1 72610884 GBPHDDNOPANCET-NSHDSACASA-N 346.431 4.142 0 40 EIAB CN(c1nc(CSc2nnc(-c3ccccc3)o2)cs1)C1CC1 79105102 VISBKBVVOFRWJM-UHFFFAOYSA-N 344.465 4.084 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 95413280 UJBRODXKVWCLAA-RHSMWYFYSA-N 346.427 4.009 0 40 EIAB CC[C@](CNC(=O)Cc1cccc2ccccc12)(OC)c1ccccc1 96123719 PWJBMCWAJZLKIQ-HSZRJFAPSA-N 347.458 4.450 0 40 EIAB CCN(CC)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1 96428218 ACZNPNQVDKSLOL-CYBMUJFWSA-N 331.391 4.125 0 40 EIAB C[C@H](C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1cccs1 97165431 SHJOXLLHZVOLMF-JXFKEZNVSA-N 342.508 4.023 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3cccs3)nnc12 100265520 OAWOUVDHUZTGIK-BMLIUANNSA-N 345.493 4.083 0 40 EIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100648038 WTGAUOGKNHJVTI-HZVDNRATSA-N 345.398 4.099 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 101115069 KQYUGGMMKPPZTR-JSJNYSNDSA-N 329.399 4.098 0 40 EIAB CC(=O)N[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118918367 LGGHTNIMFTVTOB-JQFZSLNCSA-N 345.527 4.061 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c(C)c1 219526273 OBMNZVLCWXFOAF-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CN(CCNC(=O)CCc1cccc2ccccc12)c1ccccc1 222674216 GXASOCAIYRQKMT-UHFFFAOYSA-N 332.447 4.025 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224118668 RBGBMNKZDXUYIO-OAHLLOKOSA-N 327.424 4.111 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC[C@H](C)c1ccccc1 224467076 GRKKCKDDMVKGGD-LPHOPBHVSA-N 325.452 4.381 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 224738833 ZPQXBMAOIFBBOI-ZDUSSCGKSA-N 344.842 4.050 0 40 EIAB Cc1cc(Cl)ccc1Nc1ccc(N)cc1C(=O)N1CCCC1 225473461 KSZUIQYQWTZAEX-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB CCO[C@@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC[C@H](C)C1 225718728 UYLMRQCPFLJETQ-SJCJKPOMSA-N 325.836 4.273 0 40 EIAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccccc1C 225758215 JIYDRGWVZVTGQX-KRWDZBQOSA-N 342.464 4.219 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812135 CDXUAWXMEZGQFB-CYBMUJFWSA-N 337.341 4.270 0 40 EIAB Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OC(C)C)nc2)cc1 225942857 DAWWCHONOKGYDL-UHFFFAOYSA-N 326.440 4.385 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257231136 GFKINKGCCDKEJV-YBLNHRRYSA-N 337.410 4.126 0 40 EIAB C[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)C1 1127038189 POMCZMIVPKYVSF-NEPJUHHUSA-N 348.512 4.127 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1ccc2ncccc2c1 1529292279 ZFMZNFJGCIEKSB-UHFFFAOYSA-N 330.387 4.396 0 40 EIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 39244 HLLZGNVMKWJAHG-IBGZPJMESA-N 347.418 4.197 0 40 EIAB CCOc1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1N 149927 NWPBIINCRFZSIN-UHFFFAOYSA-N 341.436 4.146 0 40 EIAB aggregator CCN(CC)Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 557473 ULKYXZAKDSLVCM-UHFFFAOYSA-N 330.859 4.363 0 40 EIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCCC2)c1 1370213 YVHGGZJXJONEOT-SFTDATJTSA-N 340.511 4.443 0 40 EIAB CC1(C)COC(CCCC(=O)c2cc(F)c(F)cc2Cl)OC1 2518173 JGLMUBQVZBXFNV-UHFFFAOYSA-N 332.774 4.370 0 40 EIAB CCc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 2713328 PWEYYQZSLWSNHE-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCC(C(C)(C)C)CC2)cc1 3329790 VEOSPWKMZHZKSA-UHFFFAOYSA-N 344.499 4.244 0 40 EIAB Cc1noc(Nc2ccc(NC(=O)Cc3cccs3)cc2)c1C 3354356 HXESMFTUGKQQKD-UHFFFAOYSA-N 327.409 4.278 0 40 EIAB CCCN(CCC)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 4144458 VGWHYDHPBLEXST-HXUWFJFHSA-N 340.467 4.497 0 40 EIAB CCCCSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 4296157 LLKZSSZVXRJKIZ-NSHDSACASA-N 327.450 4.034 0 40 EIAB Clc1ccc(Cc2nnc3sc(C4CCCCC4)nn23)cc1 4667827 RLNJLABHINYCQF-UHFFFAOYSA-N 332.860 4.478 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1cccc(C)c1C)C2 4857105 IQGCNCPKGSHJQI-AYHJJNSGSA-N 345.556 4.385 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1ccc(F)cc1F 6288051 YPVMSXZCCLHDCU-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB Cc1ccc(-c2csc3ncnc(S[C@H]4CCOC4=O)c23)cc1 6589519 KLJSDTWGYHCYFM-ZDUSSCGKSA-N 342.445 4.074 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 6811324 DPOSGDGPXFPJNR-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB CCOc1cc(C)c(C[C@@H]2SC(=O)N(CC)C2=O)cc1C(C)C 6952376 WPDLXBTWEVLBEE-INIZCTEOSA-N 335.469 4.144 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 7028242 CWIREUOYRDTFPL-UHQDVWGKSA-N 348.512 4.067 0 40 EIAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCCCCC1 7378229 DYTFTCLCNBRAEF-SFHVURJKSA-N 336.479 4.157 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2c2ncnc3sccc23)c1 7470173 IUSCJWKFNZCTHX-HNNXBMFYSA-N 341.436 4.050 0 40 EIAB Clc1ccc(-c2nc(Cn3nnc4ccccc43)cs2)cc1 8185030 PBHMHDVJCSDSRM-UHFFFAOYSA-N 326.812 4.257 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 8498073 ZDZZSGFKPPCJJX-HNNXBMFYSA-N 325.742 4.414 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1C 8498603 VDBDDABFRZYRSB-LJQANCHMSA-N 343.492 4.202 0 40 EIAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(F)cc1 8707672 FKRCEDBJTIVLAR-VIFPVBQESA-N 344.333 4.359 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1C 9019814 DCIHWDLNKMSPTK-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2Cl)C2CC2)cc1 10682736 BQTDGXFNRZFEMA-QGZVFWFLSA-N 335.856 4.078 0 40 EIAB CC(C)n1ncc2cc(NC(=O)CCc3ccc(Cl)cc3)cnc21 11056026 HDEODKXGUBBFLE-UHFFFAOYSA-N 342.830 4.237 0 40 EIAB CCc1nnc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)s1 11666870 IKPSERHKVOSFQO-UHFFFAOYSA-N 345.399 4.071 0 40 EIAB CCn1c(C)cc2cc(NC(=O)c3csc(C(C)=O)c3)ccc21 12148379 HHESIALTBNNVSP-UHFFFAOYSA-N 326.421 4.486 0 40 EIAB O=C(c1cc(F)c(Cl)cc1Cl)N1CCc2sccc2C1 12216112 HNNVRSIXEWFOHH-UHFFFAOYSA-N 330.211 4.393 0 40 EIAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 12407753 FLOFCXXNXGZPQS-NRFANRHFSA-N 348.446 4.248 0 40 EIAB O=C(Nc1ccccc1C(=O)Nc1cccc(F)c1)c1ccccc1 12739074 NZAGECFOXPZBOQ-UHFFFAOYSA-N 334.350 4.330 0 40 EIAB CCC(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 12843089 ONMLYMVMBNJIMO-UHFFFAOYSA-N 338.860 4.432 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2Cl)n1 13630007 OXTVXXJTTLYODW-UHFFFAOYSA-N 348.642 4.411 0 40 EIAB Cc1cc(NC(=O)c2ccc(N)cc2Cl)ccc1Br 19268481 GTEUHCFETJXKEB-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1N 20156848 FCOZFRVKHROZGU-UHFFFAOYSA-N 347.212 4.465 0 40 EIAB Cc1cc(C)nc(Nc2noc(CSc3ccc(Cl)cc3)n2)n1 20799606 FKEISHGBLPHJGU-UHFFFAOYSA-N 347.831 4.166 0 40 EIAB COc1ccc(-c2csc3nc(C)nc(NC4CC4)c23)cc1OC 22341829 GQTWIIKLQGMKIE-UHFFFAOYSA-N 341.436 4.258 0 40 EIAB Cc1cc(C(=O)CSc2nc(C3CC3)nc3ccccc23)c(C)[nH]1 22417396 IYDYBPOJNDAAOU-UHFFFAOYSA-N 337.448 4.427 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc2c(c1)OCO2 27689701 LSXMEODRYPMHFA-PABFRNLHSA-N 345.398 4.459 0 40 EIAB CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cccn2)c(C(C)C)c1 32601866 QRIRLDJTYKPTLD-UHFFFAOYSA-N 334.485 4.490 0 40 EIAB Cc1ccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38848788 ZUGFRIJAURVNEE-UHFFFAOYSA-N 336.479 4.301 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C)cc2C)c1 40525371 QUQZXTNKGNOWFP-CQSZACIVSA-N 325.412 4.145 0 40 EIAB Cc1cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c(C)o1 42381264 WAXOALLPSXRCFH-UHFFFAOYSA-N 326.377 4.165 0 40 EIAB O=S(=O)(c1ccc(N[C@@H]2CCCc3ccccc32)cc1)C(F)F 42790390 LKLHHAYOIXELGU-MRXNPFEDSA-N 337.391 4.172 0 40 EIAB Cc1noc([C@@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 44585366 MTLXDKGOZYFZRO-KDOFPFPSSA-N 346.434 4.342 0 40 EIAB COCc1ccccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 46176775 AKGGHXQZQIZGGU-MRXNPFEDSA-N 347.867 4.453 0 40 EIAB CC[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57553897 XCIZRECISWQTFH-MOPGFXCFSA-N 342.870 4.401 0 40 EIAB Cc1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1 58014346 ZARISBXLWZFEEG-UHFFFAOYSA-N 327.380 4.401 0 40 EIAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccccc2C)C1=O 59419004 WXBKKTSCDIEACH-FOWTUZBSSA-N 332.469 4.111 0 40 EIAB CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 60672927 LCUHWCBLHRRFBV-UHFFFAOYSA-N 342.464 4.308 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)c1ccccc1 65402392 UDKICUUHRZZQSQ-UHFFFAOYSA-N 334.419 4.244 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 71282490 WACMDZCHZHMWTE-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB CC[C@H](NC(=O)Nc1ccc(N2CCCC2)c(C)c1)c1nccs1 71915962 QXPHKHQZPHGZAR-HNNXBMFYSA-N 344.484 4.325 0 40 EIAB CCO[C@@H](C)c1nc(CSc2nncn2-c2ccccc2)cs1 71916363 TZHNSYJUBRORLK-LBPRGKRZSA-N 346.481 4.114 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)cc1Cl 72238556 ALHKGJKOWABHDW-UHFFFAOYSA-N 345.761 4.136 0 40 EIAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)c1ccccc1 79361090 VGEAXJCSRQIEDP-WAIKUNEKSA-N 349.883 4.351 0 40 EIAB CN(Cc1ccc(C(C)(C)C)s1)[C@@H]1CS(=O)(=O)c2ccccc21 92072835 BDXTXAGMIWAPSR-OAHLLOKOSA-N 349.521 4.006 0 40 EIAB O=C(OCc1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1O 95080449 ODXZINOOEWWREG-WOJBJXKFSA-N 339.435 4.129 0 40 EIAB C[C@H](c1c(F)cccc1F)[S@@](=O)Cc1ccn(C2CCCC2)n1 95966842 MJIBKWVUFYBCES-SFDCACGMSA-N 338.423 4.286 0 40 EIAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96037418 BGRXUCXVUBWVPZ-UHFFFAOYSA-N 337.467 4.415 0 40 EIAB COC1(CNC(=O)Nc2ccc(C)c(C)c2)C2CC3CC(C2)CC1C3 96123931 QLHPKWDMVOULDT-UHFFFAOYSA-N 342.483 4.266 0 40 EIAB CCOc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C)cc23)cc1 100891118 WKGFPMNOUPTWGI-FXAWDEMLSA-N 338.407 4.163 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1 102606896 QXINESDBWLTSFM-CWFSZBLJSA-N 347.414 4.489 0 40 EIAB C[C@H](NC(=O)CC1CCOCC1)[C@H](C)c1ccccc1C(F)(F)F 127203281 UJFSFZKTCAONLV-STQMWFEESA-N 343.389 4.130 0 40 EIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 219024773 VSAVMHFAUNGRCV-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1F)c1ccc(C(C)(C)C)cc1 222775424 JDINAIQDMCANMN-CQSZACIVSA-N 329.415 4.379 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)n2c1 223147664 QWSCWKWELRTPEZ-UHFFFAOYSA-N 348.233 4.188 0 40 EIAB Cc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)nc1 223981339 XHIMFBGGFCINPH-UHFFFAOYSA-N 343.471 4.328 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1cccc(Cl)c1 224102574 WDTZFUIAMGNNSA-SFHVURJKSA-N 329.827 4.085 0 40 EIAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COC(C)C 224717316 GRVOUPLZTDBXBD-UHFFFAOYSA-N 343.423 4.271 0 40 EIAB Cc1cccc(OCCNC(=O)CCc2cccc3ccccc23)c1 224939460 OXAUBEOKTNGEGG-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB COCc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225186136 VOUGZWGVQSJLHO-OAHLLOKOSA-N 339.435 4.118 0 40 EIAB Cc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCC2)cc1N 225426728 MCWMQYADLISCAU-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB Cn1cc(-c2cccc(CN[C@H]3CCCNc4ccccc43)c2)cn1 225576667 RHVKSNUBUGGXEP-NRFANRHFSA-N 332.451 4.124 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ncccc1C)CC(C)(C)O2 225676254 RWPCQINYTKPQOK-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)c3cccs3)CCCC2)s1 225680459 BCDFHYWXDUWIDM-GFCCVEGCSA-N 335.494 4.105 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(C)c1 225702003 DVXCONCDQRJETF-GOSISDBHSA-N 326.465 4.368 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(C)cc1)c1ccc(OC)c(OC)c1 225717656 DARCBMGSILBOCA-INIZCTEOSA-N 344.480 4.450 0 40 EIAB Cc1ccccc1-c1noc(CCC(=O)NC2CCCCCCC2)n1 225816979 CMGJPUVPVPZPDP-UHFFFAOYSA-N 341.455 4.207 0 40 EIAB C[C@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1Cl 226275710 AMGJUJPKMABJBZ-JTQLQIEISA-N 334.769 4.244 0 40 EIAB FC(F)(F)c1nnc2sc(-c3ccc4c5c(cccc35)CC4)nn12 226298648 WANIIRGAAAEGDN-UHFFFAOYSA-N 346.337 4.123 0 40 EIAB Cc1cc(CC[C@H]2CCCN2C(=O)c2ccc3ncccc3c2)ccn1 257251198 JPVBUIVDPOJIJR-HXUWFJFHSA-N 345.446 4.176 0 40 EIAB CCc1ccccc1Nc1nc([C@@H]2CCCNC2)c2sccn12 257267821 MIXCZGUVQBEPSG-CQSZACIVSA-N 326.469 4.169 0 40 EIAB O=C(/C=C/c1ccsc1)NC[C@H](c1ccco1)c1cccs1 585146669 AXEPGUCQJZRMDF-VBROQKIQSA-N 329.446 4.364 0 40 EIAB CCc1nc(-c2ccccc2NC(=O)c2ccc(C3CC3)cc2)n[nH]1 613009347 RRMLJNMRNUVRLD-UHFFFAOYSA-N 332.407 4.164 0 40 EIAB c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)CCC3)=N2)cc1 642814697 VMMCVSNWSKPHPC-OALUTQOASA-N 346.430 4.497 0 40 EIAB O=C(Nc1ccc(NC(=O)c2cccs2)cc1Cl)c1ccco1 92926 ZDVWKSPXFRCDPN-UHFFFAOYSA-N 346.795 4.499 0 40 EIAB O=C1O[C@@H](Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 100294 UTSJCZWPPQSFOW-OAHLLOKOSA-N 326.352 4.230 0 40 EIAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1 213196 HEWFAQZCBIKHBE-UHFFFAOYSA-N 325.309 4.292 0 40 EIAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC(C)C)cc1OC 413728 SJUQRDHLGCXBER-UHFFFAOYSA-N 345.830 4.492 0 40 EIAB Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn12)[C@H](C)CCC3 2223128 PGDTZSCUJCTYIW-SNVBAGLBSA-N 335.436 4.149 0 40 EIAB Cc1cccc(-c2nnc(SCc3cccc4ccccc34)n2N)c1 2396687 PXKOLVLRIQAXPA-UHFFFAOYSA-N 346.459 4.413 0 40 EIAB O=C(/C=C/c1ccc(SC(F)F)cc1)NCCc1ccccc1 3179282 FKECTMASXMRJFO-DHZHZOJOSA-N 333.403 4.373 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)cc1 3290722 KIOPNTBWWZUGFS-MRXNPFEDSA-N 348.446 4.006 0 40 EIAB Fc1ccc(CSc2nnc3ccc(-c4cccs4)nn23)cc1 4376849 QGBYCZXIMFWYFC-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1c1ccccc1 5737418 MUXMMHQBAPZLMA-LJQANCHMSA-N 326.355 4.006 0 40 EIAB biogenic CCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC)cc1OC 6779026 SDPJLYJPTMMMBF-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB COc1ccccc1-c1cnn2c(Nc3ccccc3)cc(C)nc12 7572480 LZQMHFNZFDHHRJ-UHFFFAOYSA-N 330.391 4.457 0 40 EIAB Cc1noc(C)c1COc1ccc(CC(=O)Oc2ccccc2)cc1 7657694 DXFOWHDECCOXON-UHFFFAOYSA-N 337.375 4.019 0 40 EIAB Cc1cc(-c2csc(-c3ccc(F)cc3)n2)c(C)n1-c1ncn[nH]1 7845378 OSUHGYDAWDPFGH-UHFFFAOYSA-N 339.399 4.142 0 40 EIAB CC(C)Nc1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)s1 8428589 CHHDRSCLVFUGPT-SECBINFHSA-N 341.889 4.375 0 40 EIAB COc1cc(C(=O)Nc2ccccc2O)cc(Cl)c1OC(C)C 9502588 JUIZVCNSLMWUGF-UHFFFAOYSA-N 335.787 4.094 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCC2CCCCC2)cc1 11713192 VPPHSIGCRPVGQB-HNNXBMFYSA-N 345.439 4.120 0 40 EIAB Cc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1C 12554194 OCYMXENNAXENPR-LBPRGKRZSA-N 327.453 4.391 0 40 EIAB Cc1nnc(SCc2csc(Nc3ccccc3)n2)n1C1CC1 12557507 LHINXEYWEVRPCR-UHFFFAOYSA-N 343.481 4.414 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 12753868 ZAADGXQEDQODLV-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB CSc1ccc2cc(CS[C@@H](C)C(=O)O)c(Cl)nc2c1 12764681 QVGXEXGDMPTODB-QMMMGPOBSA-N 327.858 4.316 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12887792 KZWZZKAVSJJINW-MRXNPFEDSA-N 345.446 4.194 0 40 EIAB COc1ccc(-c2csc(NC3CC3)n2)cc1Br 12996891 ULNYOSBGBGJMKD-UHFFFAOYSA-N 325.231 4.156 0 40 EIAB CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 14049058 LWOOXJPYCCDCKR-CQSZACIVSA-N 336.439 4.208 0 40 EIAB CCOc1ccc(Nc2ncccc2C(=O)N2CCC[C@@H](C)C2)cc1 16642413 UUTRFEGSZZFMQK-OAHLLOKOSA-N 339.439 4.096 0 40 EIAB COC(=O)c1cccc(NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1 17043145 IEDRHXZFGCQDBS-DELCKGKKSA-N 341.451 4.408 0 40 EIAB CSc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 20029861 XJQOEALTALMNSG-NSHDSACASA-N 341.885 4.101 0 40 EIAB CC(C)Oc1ccc(CNC(=O)c2ccccc2Br)cc1 20108481 RMSACGIXWJZTPY-UHFFFAOYSA-N 348.240 4.166 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 20110532 BDXSFVPCFCSGLC-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB CCCCN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 22523105 NJQQXTFUXLIWAM-QGZVFWFLSA-N 340.398 4.085 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)C1(C)C 25156816 LYHLATABDYOCRS-UXHICEINSA-N 340.511 4.137 0 40 EIAB Cc1ccsc1CNC(=O)/C=C/c1ccc(Br)cc1 25998555 JZKXKNLPNRYVNB-QPJJXVBHSA-N 336.254 4.149 0 40 EIAB Cc1sc(NC(=O)Nc2cccc3ccccc23)c(C(N)=O)c1C 28225218 KNSNUXUTEQYFPP-UHFFFAOYSA-N 339.420 4.261 0 40 EIAB CC(C)c1noc(CCC(=O)N2CC[C@H](C)Sc3ccccc32)n1 33163001 NKPUNFFYAHIQNC-ZDUSSCGKSA-N 345.468 4.043 0 40 EIAB O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1Cc1ccco1 35040455 KPBCUVYMDCSTJY-MDWZMJQESA-N 335.837 4.334 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccsc2)cc1 36360465 MIOCUYQLEPGQCC-AWEZNQCLSA-N 325.393 4.066 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 38849308 SAPQAPCOFDKHHH-HNNXBMFYSA-N 326.415 4.310 0 40 EIAB CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nccn1C 40114426 XBKAQVVHCJKUIH-KRWDZBQOSA-N 345.512 4.268 0 40 EIAB COc1cccc(NC(=O)Nc2nnc(-c3ccccc3Cl)o2)c1 42381181 WANPKVMDTXMUQY-UHFFFAOYSA-N 344.758 4.043 0 40 EIAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccccn2)cc1Cl 55520190 GTXMSTVKDWVXJM-QGZVFWFLSA-N 344.842 4.040 0 40 EIAB CCCCO[C@@H](C)C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 58004669 FURQMWHTDDIDKW-LBPRGKRZSA-N 343.452 4.435 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 58222814 OTVKYHQXDVODCK-GFCCVEGCSA-N 328.412 4.355 0 40 EIAB CCC[C@H]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 65479144 QRXZAZVFTLOAKB-INIZCTEOSA-N 325.456 4.289 0 40 EIAB O=C(c1sc2ccccc2c1Cl)N1CCC[C@H](n2ccnc2)C1 70011779 CUIKFHCICFDDJD-LBPRGKRZSA-N 345.855 4.229 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](c2c(C)noc2C)S1 71284160 IYRVCEJCVFPLOC-AWEZNQCLSA-N 332.429 4.195 0 40 EIAB COCc1ccccc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 71882902 VOMQRHKCDLAQKC-LBPRGKRZSA-N 332.469 4.078 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1Cl 72331795 LZFDBQHXVIBXGZ-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB C[C@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(Br)c2)C1 76068618 NKNXCEKASUYWFY-NWDGAFQWSA-N 325.250 4.492 0 40 EIAB Cc1ncsc1NC(=O)CCCOc1cccc2ccccc12 84066546 WMQXKVULPNQGDJ-UHFFFAOYSA-N 326.421 4.402 0 40 EIAB Fc1cccc2[nH]c(/C(Cl)=C/c3ccc(-n4ccnc4)nc3)nc12 84503116 CHUFHIALOUBJFF-WQLSENKSSA-N 339.761 4.020 0 40 EIAB Cc1ncsc1CNc1cccc(C[S@](=O)c2ccccc2)c1 89565582 YMAJDVXZKJBMGN-HSZRJFAPSA-N 342.489 4.371 0 40 EIAB COc1ccc([C@@H](C)NCCSc2ccccc2)cc1NC(C)=O 89904731 OIGRYFKGGOCXFB-CQSZACIVSA-N 344.480 4.097 0 40 EIAB Cc1ocnc1CNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 95984714 UEXSJQVNKQXTIO-UHFFFAOYSA-N 348.362 4.113 0 40 EIAB C[C@H](NC(=O)[C@H](C)C1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 96484920 IPNDSAQBGIQIQT-MNOVXSKESA-N 347.352 4.084 0 40 EIAB COc1cccc([C@@H](NCc2cc(F)cc(F)c2)c2cccnc2)c1 97021671 KLHNYAHXMQAMJR-HXUWFJFHSA-N 340.373 4.248 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCSC(C)(C)C)cc(C)c1Cl 113942449 GXABHVZZZRNIOM-CYBMUJFWSA-N 343.920 4.372 0 40 EIAB CC(=O)O[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118935471 CGBFTMGKAPXWPF-DHGBTQKMSA-N 344.495 4.408 0 40 EIAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4F)nc3c2)C[C@@H](C)O1 216790740 IMNXTSOEVDWOQW-OKILXGFUSA-N 340.398 4.243 0 40 EIAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2cccc3cccc1c23 223828511 HZFTYCWQLZUWJZ-OAHLLOKOSA-N 338.451 4.133 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2ccccc2Cl)c1 224474238 QMSUIXCBOPLNBV-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB Cc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1Cl 225079687 BBFMOMDHROGXIG-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)NCC1CCCCC1 225204412 PNXZJBSYRNBRNC-UHFFFAOYSA-N 329.868 4.409 0 40 EIAB Nc1ccc(Nc2cccc3ccccc23)c(C(=O)N2CCCC2)c1 225468186 DCTBTCWDUMBHNK-UHFFFAOYSA-N 331.419 4.402 0 40 EIAB CC(C)(Br)C(=O)Nc1ccc(OC2CCCC2)cc1 225593794 SUFISNCCHPCNRI-UHFFFAOYSA-N 326.234 4.120 0 40 EIAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2ccccc12 225809765 XMVNLBVENDWOGU-XOBRGWDASA-N 327.424 4.382 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 225868095 NLALSJHHWWRYNV-UHFFFAOYSA-N 342.414 4.460 0 40 EIAB O=S(=O)(Cc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 390827254 VMSUHXYHHLGORR-INIZCTEOSA-N 349.502 4.019 0 40 EIAB CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2cc(C)ccc21 408713116 KSRDRKNKIZMRCK-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)n1cnc2ccccc21 408734003 BXNHROFOPBFEHO-HXUWFJFHSA-N 327.387 4.264 0 40 EIAB CC[C@H](C)N1CCC[C@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 585100668 SEHFUANSXMCKPL-RXVVDRJESA-N 328.500 4.141 0 40 EIAB Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(-c2ocnc2C)o1 1616017692 NWFAPDXRUBCQIC-NSHDSACASA-N 333.775 4.443 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)cs1 1775968793 WIWJORRTVCFTQN-CYBMUJFWSA-N 327.405 4.092 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)c(C)c1 69603 OZIXVBVGNNNRFO-OBMJPTGESA-N 333.431 4.095 0 40 EIAB CCOC(=O)c1cccc(Oc2ncnc3sc(C)c(C)c23)c1 91445 KQEVRYWIBBDAMY-UHFFFAOYSA-N 328.393 4.277 0 40 EIAB Cc1ccc(Nc2nnc(-c3cc4ccccc4oc3=O)s2)cc1 244882 SLBSJFFNQAGRKW-UHFFFAOYSA-N 335.388 4.364 0 40 EIAB Cc1ccc(C(=O)Oc2ccc(C(=S)N3CCCCC3)cc2)cc1 306160 IVLKPKGQYIFRGP-UHFFFAOYSA-N 339.460 4.376 0 40 EIAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccncc1 422462 SRDHPZMTDBBGPT-UHFFFAOYSA-N 330.844 4.306 0 40 EIAB Cc1ccc(NS(=O)(=O)CCCCC(Cl)(Cl)Cl)cc1 2697228 YBYNAXYZBBTKQJ-UHFFFAOYSA-N 344.691 4.277 0 40 EIAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(Br)c1 2744216 BLPLELQJAAEKGK-KGLIPLIRSA-N 330.225 4.500 0 40 EIAB Cc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)c(C)c1 4086830 JCNOYLRNYNDTHV-HSZRJFAPSA-N 349.498 4.180 0 40 EIAB c1c2c(cc3sc(Nc4nc5c(s4)CCCC5)nc13)OCO2 4137812 LLZBUFJVLLAABD-UHFFFAOYSA-N 331.422 4.104 0 40 EIAB CC1CCC(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)CC1 4484963 LZAFJYCQHBNFBQ-UHFFFAOYSA-N 337.876 4.003 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 4666309 LUQNBQSNCJGCMS-CYBMUJFWSA-N 343.423 4.478 0 40 EIAB C/C(=C\c1ccccc1)C(=O)Nc1nnc(CCc2ccccc2)s1 4715908 JMENYQWNHJBTRM-CCEZHUSRSA-N 349.459 4.365 0 40 EIAB CSc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 5299165 NBQCQZYODULTLB-UHFFFAOYSA-N 330.434 4.036 0 40 EIAB Cc1nn(-c2ccc(C(F)(F)F)cc2Cl)c(=O)c2ccccc12 5534269 WOIXGDDGMKTTAB-UHFFFAOYSA-N 338.716 4.366 0 40 EIAB CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 5545803 KWMBKUJSJAPCRG-ZDUSSCGKSA-N 341.842 4.325 0 40 EIAB Fc1ccc(NC(=S)Nc2ccccc2Br)cc1 5571947 LRSGVYWMLDHTKF-UHFFFAOYSA-N 325.206 4.397 0 40 EIAB CCC[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 5978990 GUTWDLAOMIKMDS-GFCCVEGCSA-N 348.512 4.271 0 40 EIAB CN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 6420154 ZERZWAKDEIOYIC-UHFFFAOYSA-N 330.387 4.216 0 40 EIAB CCc1cccc2c(C(=O)CSc3nc(C)c(C)c(C)n3)c[nH]c12 6653989 GOHPZCIAMQGGIZ-UHFFFAOYSA-N 339.464 4.421 0 40 EIAB COc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1OC 7208917 FYAAEOXBVYJDEA-UHFFFAOYSA-N 345.464 4.193 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 7208960 HLHFCQVEZAHFNS-UHFFFAOYSA-N 342.464 4.134 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)OCCOc1ccccc1F 7339335 ZCGYXSIIBWJKTR-UHFFFAOYSA-N 341.382 4.252 0 40 EIAB O=c1[nH]c(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 8013098 VTURTLIXSBDHNL-UHFFFAOYSA-N 348.880 4.419 0 40 EIAB Cc1nc(NC2CCC(O)CC2)c2c(-c3cccs3)csc2n1 8728974 RTTLEFJZVMKWKW-UHFFFAOYSA-N 345.493 4.444 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)n1ccc(C2CC2)n1 8873551 WAPGQBZWEJHZOC-UHFFFAOYSA-N 345.761 4.205 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1 11171488 NBBVKDVHJFJDQA-OAHLLOKOSA-N 327.424 4.364 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)c(F)c2)on1 11916877 QBJRNANFLGRJQU-UHFFFAOYSA-N 340.354 4.440 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1ccccc1C)c1ccccc1Cl 11917293 JJJHCRARSUKCDM-IBGZPJMESA-N 344.886 4.461 0 40 EIAB CC(C)c1noc(CSc2nnc(Nc3ccccc3)s2)n1 12775668 YRMOYBQVEORUOO-UHFFFAOYSA-N 333.442 4.080 0 40 EIAB O=C(NCCc1cccc2cccnc12)c1occc1-c1ccccc1 13008967 MZIBEMWQVIZUBV-UHFFFAOYSA-N 342.398 4.467 0 40 EIAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 13759212 DVWCRDAAQVJYAI-RHSMWYFYSA-N 330.478 4.371 0 40 EIAB COc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14665215 CKBSWSOPVLTABP-AWEZNQCLSA-N 327.424 4.399 0 40 EIAB CCc1cc(C(=O)Nc2cccc(-c3nncn3CC)c2)sc1C 24581206 HBXBODXULCWGFK-UHFFFAOYSA-N 340.452 4.150 0 40 EIAB CC1CCC(N(C)C(=O)c2cc3c(nc4sccn43)s2)CC1 25627959 FSBTVNWRJCLKAE-UHFFFAOYSA-N 333.482 4.261 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1 28605365 GPNIGFKKNGNLLX-INIZCTEOSA-N 339.420 4.001 0 40 EIAB COc1ccccc1NC(=O)c1cc(-n2cccc2)ccc1Cl 32069982 CVCFICBQCWFSQF-UHFFFAOYSA-N 326.783 4.392 0 40 EIAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccnc1 32722737 QEKLNPBILULOHJ-MRXNPFEDSA-N 332.403 4.152 0 40 EIAB CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(F)cc1 32744992 QNFUNVXRDYVCLJ-IBGZPJMESA-N 325.383 4.115 0 40 EIAB CC(C)CCC[C@@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 32784567 SHVZZEAWVVREKE-MRXNPFEDSA-N 330.472 4.148 0 40 EIAB O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1nccs1 42484497 AJZGXFLKSNKKGC-UHFFFAOYSA-N 348.431 4.053 0 40 EIAB Cc1ccsc1CNC(=O)Nc1ccc(Br)cc1 43133827 IOCNBPGBUNVXCF-UHFFFAOYSA-N 325.231 4.141 0 40 EIAB CCC(CC)[C@H](CNC(=O)Nc1ccccc1SC)N1CCCC1 48253491 ANLQAMIBTIPKBA-KRWDZBQOSA-N 349.544 4.431 0 40 EIAB O[C@@H](CN(Cc1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 48324957 HBFQCAFLJDRCPM-INIZCTEOSA-N 341.398 4.465 0 40 EIAB O=C(Nc1ccc(OCc2cccs2)cc1)OCC(F)(F)F 48325294 XPAFNAOKSXCQHP-UHFFFAOYSA-N 331.315 4.438 0 40 EIAB c1ccc(COc2ccc(CNc3ncnc4ccccc34)cc2)nc1 52471567 IXPWYVUNKZOMIX-UHFFFAOYSA-N 342.402 4.216 0 40 EIAB O=C(NCc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 58481274 LAKLCUDEESITGZ-UHFFFAOYSA-N 328.265 4.046 0 40 EIAB CC(C)(C)C(=O)COC(=O)c1cc2ccccc2n1Cc1ccccc1 61509679 SKSDWFKXAWQZTD-UHFFFAOYSA-N 349.430 4.462 0 40 EIAB O=C(c1nc2ccccc2s1)N(Cc1ccccn1)Cc1ccco1 62018023 IEHZCVRHSMGSRP-UHFFFAOYSA-N 349.415 4.127 0 40 EIAB CCOc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(F)F 71759377 XRVFEZFBWUYQRE-UXBLZVDNSA-N 331.365 4.016 0 40 EIAB Cc1nc2c(-c3cccs3)c(C)nn2c(NCc2cccnc2)c1C 72341719 BBKHFQJPMDZDRK-UHFFFAOYSA-N 349.463 4.390 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(-c2ccccc2)o1 84562700 KHGVPKYHNIRXHJ-YRNVUSSQSA-N 347.370 4.005 0 40 EIAB CN(C(=O)C1CC1)[C@H](c1cccnc1)c1ccc(Cl)cc1Cl 95396935 HIQCZRCZIUOGOU-MRXNPFEDSA-N 335.234 4.346 0 40 EIAB C[C@H](c1c(F)cccc1F)[S@](=O)Cc1ccn(C2CCCC2)n1 95966844 MJIBKWVUFYBCES-SPSFWMDKSA-N 338.423 4.286 0 40 EIAB O=C(Nc1ccccc1F)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 96467912 LDOZFBYHRJMLRZ-PBHICJAKSA-N 346.402 4.319 0 40 EIAB Cc1ncc([C@H](C)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 97016667 LOSCESVVOJVBIJ-SGTLLEGYSA-N 347.409 4.423 0 40 EIAB CCCn1cc(CNc2ncccc2O[C@H](C)c2ccccc2)cn1 97094837 OYNMPUCQHRGKOV-MRXNPFEDSA-N 336.439 4.440 0 40 EIAB COC(=O)c1nn(-c2ccccc2)c(C(F)(F)F)c1-c1ccccc1 98174821 NJNIIADSSCTLBY-UHFFFAOYSA-N 346.308 4.345 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(Cl)cc2)cc1 113969051 XIOYEWGJIQKXKJ-SFHVURJKSA-N 331.843 4.376 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1ccc(Cl)cc1F 224068921 CPYYQPCFSGWMNO-UHFFFAOYSA-N 335.806 4.240 0 40 EIAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224122096 DWZXJTOTSCXEML-CSKARUKUSA-N 329.827 4.165 0 40 EIAB COc1ccc(C[C@@H](Sc2ccc(C)cc2)C(=O)O)cc1Cl 225124150 RXOONYIHHVSHEK-MRXNPFEDSA-N 336.840 4.445 0 40 EIAB Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCCC2)c(C)c1 225169741 PNCUAWQETVFMGS-UHFFFAOYSA-N 337.463 4.310 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225867535 NTIHNCWRYTUDMJ-GOSISDBHSA-N 337.463 4.229 0 40 EIAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@H]1C[C@H]2CC[C@H]1O2 504225202 DNFQFNXJUIWKPB-OWCLPIDISA-N 344.798 4.033 0 40 EIAB O=C(Nc1ccc(NCCC2CCOCC2)cc1)N1CCCCCC1 585117006 ORQDYQMDCHUHFF-UHFFFAOYSA-N 345.487 4.323 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2cn[nH]n2)cc1 138038 AIEPUTDYTZXHQR-UHFFFAOYSA-N 344.827 4.003 0 40 EIAB CC(C)COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 146991 AKIRKNDAQXFEEZ-UHFFFAOYSA-N 331.799 4.405 0 40 EIAB COc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 179141 CAVWCHVBXOONDZ-UHFFFAOYSA-N 336.416 4.170 0 40 EIAB CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc(C)c1CC 371010 MNTBBFUVXKQDCM-UHFFFAOYSA-N 349.427 4.116 0 40 EIAB CCOc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1 2353883 MIVKQNKSKPLJBH-UHFFFAOYSA-N 347.378 4.009 0 40 EIAB Cc1ccc(C(C)C)c(OCCN2C(=O)C(=O)c3cc(C)ccc32)c1 2493159 NTGIFHALNIQUIM-UHFFFAOYSA-N 337.419 4.035 0 40 EIAB CCOC(=O)CCCCCC(=O)c1ccccc1Br 2567569 RWSHGWYKLAWVBM-UHFFFAOYSA-N 327.218 4.145 0 40 EIAB CN(C)C1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1 2617461 IWELQSHVPXXCIO-UHFFFAOYSA-N 344.286 4.379 0 40 EIAB CC(C)c1ccc(NC(=O)c2ccn(COc3ccccc3)n2)cc1 2797759 POMODTCITJUIMI-UHFFFAOYSA-N 335.407 4.295 0 40 EIAB O=C(CSCc1ccc(F)cc1)Nc1nc2c(s1)CCCC2 3333711 BOEATSOZMRMDAA-UHFFFAOYSA-N 336.457 4.033 0 40 EIAB Cn1cnnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3395192 LJSMZHQSYQXWGN-SFHVURJKSA-N 348.431 4.013 0 40 EIAB CCOC(=O)c1ccsc1NC(=O)c1ccc2ccccc2c1 4275716 RYBWHUGGDNHSHZ-UHFFFAOYSA-N 325.389 4.330 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCC4)[C@@H]3C2=O)c(C)c1 4380774 OZIXVBVGNNNRFO-JSJNYSNDSA-N 333.431 4.095 0 40 EIAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1O 4571432 AUJSUQSWVKFZNK-ABKXIKBNSA-N 344.436 4.016 0 40 EIAB Nc1cccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c1 5490080 SNXLVUPBAALZCP-UHFFFAOYSA-N 330.431 4.309 0 40 EIAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 5921719 TWSXCTJXIKMWMM-UHFFFAOYSA-N 333.413 4.275 0 40 EIAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2)cc1 6426853 YDTUQPUFIBJRMZ-UHFFFAOYSA-N 340.419 4.346 0 40 EIAB Cc1cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)on1 6852489 VEQFHAAGNMQKEQ-UHFFFAOYSA-N 327.380 4.070 0 40 EIAB O=C(NC(=O)c1c(F)cccc1F)Nc1cc2ccccc2s1 6864881 MBDKKDKOYBZLLR-UHFFFAOYSA-N 332.331 4.141 0 40 EIAB CN(C)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 8778416 YBZGNNGSJPHHJI-UHFFFAOYSA-N 328.362 4.134 0 40 EIAB CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 10272139 YMIUFYRIENPVSK-UHFFFAOYSA-N 327.767 4.261 0 40 EIAB CCC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1 11238854 KOYKOYZCJSEASS-OAHLLOKOSA-N 342.464 4.368 0 40 EIAB c1ccc(-c2cc(-c3nn4c(-c5ccccc5)nnc4s3)no2)cc1 12408018 LWXFNGNVSVOLFF-UHFFFAOYSA-N 345.387 4.175 0 40 EIAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 12780253 JLRHRXMBQHEXMX-AUUYWEPGSA-N 327.424 4.472 0 40 EIAB CC(=O)c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1 13004753 VNFKBXONPXOJKC-UHFFFAOYSA-N 328.334 4.132 0 40 EIAB CN(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1Cl 13056029 MAOMZQTWKSOXPY-UHFFFAOYSA-N 341.213 4.203 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1 14229789 MNGJWWCOTVZYAM-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(F)cc1 15839941 YHVVKUVJVPJEDC-GOSISDBHSA-N 340.785 4.394 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 18124794 JBHBPOVBASQXME-OAHLLOKOSA-N 348.402 4.365 0 40 EIAB Cc1cc(C)n(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)n1 18178802 DZPSLNABYNQEKD-UHFFFAOYSA-N 341.242 4.019 0 40 EIAB Cc1ccc([C@@H](O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)c1 19132417 IFBKTSMUHHSBHQ-UTKZUKDTSA-N 349.478 4.093 0 40 EIAB COc1cccc(CN2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 19240675 IPVDFBTZSLAHSX-GOSISDBHSA-N 335.451 4.031 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 20107691 KFDXOEXLPSJOHB-QGZVFWFLSA-N 347.842 4.213 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCCSc2ccccc2)cc1 20456030 JEYPKJKECQZGBA-CQSZACIVSA-N 347.505 4.084 0 40 EIAB COc1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC 20457264 XFFRZBMMPSETHZ-GOSISDBHSA-N 341.451 4.150 0 40 EIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3ccncc3)c(C)c12 24833614 ONQNYJGBJKUQML-UHFFFAOYSA-N 340.452 4.253 0 40 EIAB Cc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222447 BXVVJLNDJWFHCA-NRFANRHFSA-N 331.463 4.407 0 40 EIAB O=C(CCc1ccc(F)cc1)NCCOc1ccc2ccccc2c1 30446945 YDWQDSLBDZHCBH-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1OC 30868598 XBOFECYHCUUNLH-AWEZNQCLSA-N 345.464 4.440 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)OCc1nc2ccccc2s1 31149225 MFFQOOJUJPZYMK-UHFFFAOYSA-N 336.416 4.372 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCC1(c2ccccc2)CCC1 32876573 MBJDYMJWOGENOK-UHFFFAOYSA-N 347.380 4.486 0 40 EIAB Cc1[nH]ncc1CCCNc1nc(-c2ccsc2)nc2ccccc12 32909010 ATLJBFBJNZWWKF-UHFFFAOYSA-N 349.463 4.435 0 40 EIAB O=C(CCC1CCCC1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670457 BQBAMMXCDCZBLZ-UHFFFAOYSA-N 343.427 4.006 0 40 EIAB O=C(Cc1cccc2cccnc12)Nc1ccccc1OC(F)F 40485788 VUMNJFBMOQDQAO-UHFFFAOYSA-N 328.318 4.017 0 40 EIAB CN(Cc1ccc(O)cc1)C(=O)C1c2ccccc2Oc2ccccc21 41686596 LPYDPMXHFFAFQR-UHFFFAOYSA-N 345.398 4.288 0 40 EIAB COc1cccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 45949886 ZZROSBBIRVPMJN-LLVKDONJSA-N 336.338 4.179 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1Cc1ccccc1Cl 55524176 CAVHBVIRTCBCDF-CQSZACIVSA-N 339.826 4.064 0 40 EIAB CCOc1ccccc1NC(=O)CN[C@H](C)c1ccccc1Cl 57315420 MZAFPJZHZDEPCZ-CYBMUJFWSA-N 332.831 4.028 0 40 EIAB O=[S@@](CCCOc1ccc(F)cc1)Cc1ccc(Cl)cc1 58130884 HFEJTXMEUUKAGT-OAQYLSRUSA-N 326.820 4.197 0 40 EIAB CNC(=O)c1cc(NC(=O)c2oc3ccccc3c2C)ccc1Cl 58193546 VOGHNMXOILPECR-UHFFFAOYSA-N 342.782 4.007 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc23)c1 58218352 BLGRQINMYLHBOA-MLGOLLRUSA-N 333.391 4.015 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCCO[C@H]3CCCC[C@H]3C)cc2c1 58390689 UYUVUXHOCUNYKZ-QRWLVFNGSA-N 340.467 4.177 0 40 EIAB FC(F)(F)c1ccc(N/N=C/c2ccc(N3CCCCC3)o2)nc1 60684800 CNSKRUCAJGNVHS-SRZZPIQSSA-N 338.333 4.130 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 65005665 ARMKEQPNWAZKMS-AWEZNQCLSA-N 347.484 4.209 0 40 EIAB O=C(CCc1csc2nc(C3CC3)cn12)Nc1ccc(F)c(F)c1 70655574 IAHMHBCCYRNYLV-UHFFFAOYSA-N 347.390 4.123 0 40 EIAB COc1ccc(NC(=S)Nc2cc(F)ccc2Cl)cc1F 71760503 IHKHINZAAXXATP-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB Cc1cc(CS(=O)(=O)[C@@H](C)c2ccc(F)cc2)c2ccccc2n1 71913644 KPYLHFPLZICWGM-AWEZNQCLSA-N 343.423 4.358 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 72273873 ZJRTUZYOHIHLBJ-IKGGRYGDSA-N 326.465 4.309 0 40 EIAB COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2Cc1cccs1 72405562 UXVKOELGQSUAEM-CQSZACIVSA-N 339.420 4.125 0 40 EIAB C[C@H](Cc1ccc(Br)cc1)N[C@H](C)c1nccs1 86509029 KFZGNWRZNDFOBI-GHMZBOCLSA-N 325.275 4.187 0 40 EIAB Cc1nc(C)c(C(=O)N(c2cccc3cccnc23)C2CCCC2)o1 95407160 FYZQPSHCWAXHDW-UHFFFAOYSA-N 335.407 4.429 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)CCOc1ccccc1C(=O)O 183913233 FHKKVACZVMIPHX-CQSZACIVSA-N 339.391 4.203 0 40 EIAB CN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 194761814 LGMDLIXKOGNDII-UHFFFAOYSA-N 330.746 4.411 0 40 EIAB Cc1ccccc1[C@@H]1CCN(C(=O)Cc2ccccc2F)CCS1 219288160 SFJZSHOOPHJJKE-IBGZPJMESA-N 343.467 4.383 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccccc1 222965443 FVIKACKKCHKLNP-LJQANCHMSA-N 325.452 4.210 0 40 EIAB CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225571453 KXDJXHIMCHLCRK-KRWDZBQOSA-N 347.842 4.303 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCc2cc(-c3ccncc3)ccc21 225638158 CWZRQGSRYPBWFJ-UHFFFAOYSA-N 332.378 4.020 0 40 EIAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(F)(F)F 225807040 NMCASVLNAOZNPU-MEDUHNTESA-N 345.361 4.248 0 40 EIAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c(OC)c1 225942738 XVQNHSJTFHTNDS-UHFFFAOYSA-N 327.424 4.220 0 40 EIAB COc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c1O 408989811 MFXNJONNETYCLY-UHFFFAOYSA-N 342.420 4.047 0 40 EIAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1ncc(-c2cccc(Cl)c2)o1 530174790 BCVQMKDSYDZZNB-DABQJJPHSA-N 348.830 4.069 0 40 EIAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)Cl 575242915 CBRMXDSPRKISDL-UHFFFAOYSA-N 337.469 4.482 0 40 EIAB O=C(CCCCCn1cccc1)Nc1ccc(C(F)(F)F)cn1 604418681 GQFHSROPBHGCMO-UHFFFAOYSA-N 325.334 4.101 0 40 EIAB C[C@@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)C1 1127038196 POMCZMIVPKYVSF-VXGBXAGGSA-N 348.512 4.127 0 40 EIAB O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1cccc(F)c1 1136330091 ZUTBTFXLTPFNNC-FQEVSTJZSA-N 334.394 4.280 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cc(C)c(F)cn3)c2)cs1 1888917926 UVQWVBHWZJHQQI-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB CC(C)Cc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 73979 XDWWOQWEPIIWPQ-UHFFFAOYSA-N 330.240 4.296 0 40 EIAB Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1Cl 92724 ZCMCCAUSIVNJAR-HNNXBMFYSA-N 346.839 4.090 0 40 EIAB CC(C)(C)C(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1 321730 QKOAVQUXXVEFQC-UHFFFAOYSA-N 329.469 4.395 0 40 EIAB C[C@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OC1CCCCC1 393986 HYOWHFTWLDKFIT-NSHDSACASA-N 325.792 4.153 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 505096 UXVWLVMWMLFWIZ-GFCCVEGCSA-N 338.234 4.120 0 40 EIAB Cc1ccc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc1 2400966 MFQYKKPLFPHEMD-SOLBZPMBSA-N 349.478 4.180 0 40 EIAB Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 3382663 JJPNSTWKWXFBKF-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@@H](C)C4)[C@H]3C=C12 4024568 RBCKIFIDZCUQEN-BVOBVLFCSA-N 331.500 4.033 0 40 EIAB biogenic Cc1oc2cc3oc(=O)c(CC(=O)O)c(C)c3cc2c1-c1ccccc1 4043865 HAYRZBNXGUAOJV-UHFFFAOYSA-N 348.354 4.450 0 40 EIAB biogenic O=[S@](Cc1cc(Cl)nc(-c2ccccc2)n1)c1ccccc1 4060065 YXOAJQDUIOYQCQ-QFIPXVFZSA-N 328.824 4.105 0 40 EIAB CC(C)(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1 4386879 JVYZRSOTVIEJNP-UHFFFAOYSA-N 349.478 4.180 0 40 EIAB C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@H]3CCC[C@@H](C)N3C)[C@@H]12 4430038 FMPNFDSPHNUFOS-YIZHNRPYSA-N 345.527 4.419 0 40 EIAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl 6314026 QQYQSYDJJXCYCJ-AWEZNQCLSA-N 349.883 4.329 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(C)c(Cl)c3)oc2c1 6811249 KERMVAYWEHRODU-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1ccccc1-n1c(COc2c(C)cccc2C)n[nH]c1=S 6815271 OCJCXWRKVXFWMF-UHFFFAOYSA-N 325.437 4.434 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 7069060 WEWQFTBKXAPTDI-UHFFFAOYSA-N 336.160 4.043 0 40 EIAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(Cl)cc1Cl 7138823 JONGDBIZXUMBHC-VIFPVBQESA-N 334.206 4.361 0 40 EIAB CCOc1cc(Cl)ccc1C(=O)Nc1cc(Cl)ccc1O 8187660 RHFJDLWVLJTGAM-UHFFFAOYSA-N 326.179 4.350 0 40 EIAB Cc1cc(C)c(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1C 8230590 BHWLKLDQBXJPDP-UHFFFAOYSA-N 343.477 4.433 0 40 EIAB CC[C@@H](C)NC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936137 ZNDHVDFPXYNINT-CYBMUJFWSA-N 334.510 4.201 0 40 EIAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1 9645924 OJMAXBCNZLQOIF-JTQLQIEISA-N 338.190 4.125 0 40 EIAB CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 9742069 WCXHKJVYINFWAQ-HXUWFJFHSA-N 346.434 4.100 0 40 EIAB COC(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 10295423 MDVNURINRUERKH-UHFFFAOYSA-N 349.839 4.248 0 40 EIAB Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccoc2C)on1 12223069 OBXILHXOYOFRPI-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB CCOc1ccc(CCNCc2ccc(Cl)cc2)cc1OCC 12395897 VTLJTPYBMSAHRN-UHFFFAOYSA-N 333.859 4.470 0 40 EIAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)o1 12601076 WRXWMXRPQNIRCY-UHFFFAOYSA-N 327.361 4.267 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C 12756338 LEUUPOUZCIQVPF-KRWDZBQOSA-N 325.408 4.114 0 40 EIAB CCc1ccc(OCc2nnc(S)n2-c2cccc(C)c2C)cc1 13535545 KSGQNFHOJZEIMW-UHFFFAOYSA-N 339.464 4.314 0 40 EIAB O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCCC1 14086663 FIAMDOFDYOEYPU-UHFFFAOYSA-N 335.329 4.080 0 40 EIAB C[C@H]1CCCN([C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 14186437 GPCPYXWKQMVFMV-RYUDHWBXSA-N 343.452 4.038 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc(Cl)cc1 14898422 ILUMCDOHIFXGFL-UHFFFAOYSA-N 327.767 4.452 0 40 EIAB O=C1C[C@H](c2cccs2)c2sc(Nc3ccccc3)nc2N1 15110027 MAQGPGAVSSQBAS-LLVKDONJSA-N 327.434 4.422 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(C)cc1F 15123700 IGJCXWYESUSEFL-UHFFFAOYSA-N 336.794 4.155 0 40 EIAB COC(=O)[C@H](Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 15504568 LLWNZNVWUOBCEB-HXUWFJFHSA-N 338.451 4.249 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(F)cc2)cc1OCC 15966493 VQEIFKPHLVQVDG-AWEZNQCLSA-N 345.414 4.043 0 40 EIAB C[C@H]1CN(c2nc3ccccc3o2)[C@H](C)CN1c1nc2ccccc2o1 17427360 CFNCXWBUQCBYME-OKILXGFUSA-N 348.406 4.073 0 40 EIAB Clc1ccc(CN(Cc2ccccc2)c2ncnc3[nH]cnc23)cc1 18275927 XRJAFPONNKQNLV-UHFFFAOYSA-N 349.825 4.213 0 40 EIAB CCCCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 20141515 PUUHFSHWLLVBOX-UHFFFAOYSA-N 327.380 4.124 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(OC)c1 21934026 JNNNGFDHLMUKOU-CQSZACIVSA-N 339.435 4.074 0 40 EIAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCc2sccc2C1 22597645 QVUFHXFVSGLARZ-UHFFFAOYSA-N 334.444 4.372 0 40 EIAB COc1ccc(Cl)cc1NCC(=O)N[C@H](C)c1ccc(C)c(C)c1 24214713 PHJOEFQUXUPKBE-CQSZACIVSA-N 346.858 4.255 0 40 EIAB Cc1c(-c2nnc3n2N=C(c2ccccc2)CS3)oc2ccccc12 36649169 HVBQCFYLMQCXLQ-UHFFFAOYSA-N 346.415 4.358 0 40 EIAB CC(C)c1ccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)cc1 36847531 NBZWKSXFOKSUSU-CVEARBPZSA-N 333.545 4.359 0 40 EIAB Cc1ccoc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 40157391 PZXRFGXWXXOFJD-SFHVURJKSA-N 345.402 4.178 0 40 EIAB CCc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478405 RMKWKWRHRIHWCI-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB CCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1OCC 50078472 PTUDLLJZUYECME-AWEZNQCLSA-N 325.408 4.075 0 40 EIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc2oc(=O)ccc2c1 54254084 NOICDWKUZNQOOS-UHFFFAOYSA-N 348.185 4.281 0 40 EIAB CCSc1ccccc1NC(=O)NC[C@H](C1CCCCC1)N(C)C 58086300 HXRBXRQFAHKCOM-QGZVFWFLSA-N 349.544 4.431 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 59351911 AMYZTLXMGNCBGK-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccc3ccccc23)c1 65071134 HIQZEFLPQMCSBM-CQSZACIVSA-N 348.402 4.066 0 40 EIAB Fc1cccc(Cl)c1Cc1nnc(SC[C@@H]2CCCCO2)o1 66257788 RZTZIOHFEALTPF-JTQLQIEISA-N 342.823 4.114 0 40 EIAB Cc1cc(C)c2nc(-c3cccc(I)c3)[nH]c2c1 70462765 URENGQSHRZIPSM-UHFFFAOYSA-N 348.187 4.451 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)NCc2ccccc2F)o1 72265307 VXKOQIQSALCOEO-UHFFFAOYSA-N 341.338 4.150 0 40 EIAB O=C(COc1ccc(Cl)cc1)N1CCC(c2ccsc2)CC1 75157136 INWQPGHNUFUSHA-UHFFFAOYSA-N 335.856 4.187 0 40 EIAB Cc1ccc(F)c(NC(=O)Nc2ccc(NC3CCOCC3)cc2)c1 79101224 WWXAJSTUJSJJLJ-UHFFFAOYSA-N 343.402 4.369 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nccn3C)c2)c(C)c1 89568817 RXJLUJXEUHKYMQ-UHFFFAOYSA-N 349.434 4.030 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc2ccccc12 89949169 LVMIZPMQTHWYJW-RDTXWAMCSA-N 342.508 4.028 0 40 EIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1cc(Cl)ccc1Br 95096009 IOPFJYLAUPGQMV-XVKPBYJWSA-N 345.542 4.121 0 40 EIAB Cc1cnc([C@@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C2CC2)s1 95409968 VEBXGJDGAOVGPP-WBMJQRKESA-N 345.468 4.431 0 40 EIAB O=C(NCC1CC1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 96154790 DQEVGOOBYSKOME-UHFFFAOYSA-N 348.450 4.058 0 40 EIAB COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1 97165254 JNXSBWRGXYEPOT-SFHVURJKSA-N 346.386 4.280 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1Cl)OC2=O 100260906 NTOYAIOKEQADKS-HZPDHXFCSA-N 342.222 4.054 0 40 EIAB CCCNC(=O)OC[C@]12CO[C@@H](c3ccco3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100742387 RHJNFYSWNCBAHO-BOHLSTHVSA-N 347.455 4.322 0 40 EIAB biogenic O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)C1[C@H]2CCCC[C@H]12 100774331 WAAMYFYUQIQYCQ-JENIJYKNSA-N 340.854 4.377 0 40 EIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@@H]1[C@H]2C 106900233 ABFSDSQOZYJGJO-XCHKZZJKSA-N 347.455 4.320 0 40 EIAB biogenic COc1ccc(C(=O)CCc2ccccc2Br)cc1F 199765308 XAMLLGWDTWCZCB-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB Cc1cccc(OCC(=O)NCCSCc2cccc(Cl)c2)c1 222751976 IHRSQIGSBPNKAF-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CCc1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222893675 OSVNHENSFXAEOU-UHFFFAOYSA-N 341.432 4.212 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)OCO2 223010697 BQRPAYSLMPJDCN-OAHLLOKOSA-N 347.798 4.173 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1Cl 224062119 BZUJZXZUQIBTHW-AWEZNQCLSA-N 347.842 4.163 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccc(Cl)cc1 224469579 ISHGUOQAWUNYDA-SFHVURJKSA-N 345.870 4.473 0 40 EIAB Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225084926 BPKNCVVLJLLUOX-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCOc1ccccc1C[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225104501 LLSPIADWDJCTDV-QGZVFWFLSA-N 334.799 4.122 0 40 EIAB CC1(C)C[C@H](NC(=S)Nc2ccccc2F)c2ccccc2O1 225576234 BZBKEWMCQKOUFA-HNNXBMFYSA-N 330.428 4.415 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 225634512 IFYXSDKOCXRSGK-CYBMUJFWSA-N 334.872 4.402 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)cc2c1 226036571 XZLINZZVSZHCKV-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CC1(C)C[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)c2ccccc2O1 562843974 ZJMKLOWCRPBUHM-CQSZACIVSA-N 346.390 4.306 0 40 EIAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 34757 YVZXXBUYNATFEK-NWDGAFQWSA-N 342.222 4.379 0 40 EIAB CCOc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)cc1OC 120529 XBEYVEXNHDLMSN-ZRDIBKRKSA-N 326.392 4.330 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O 277022 BASCZNKPHYHHKC-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CCOc1cccc(C(=O)Nc2nc3ccc(OCC)cc3s2)c1 371640 DWLUNANEWZADDE-UHFFFAOYSA-N 342.420 4.346 0 40 EIAB C[C@@]1(c2ccccc2)c2ccccc2N(c2ccccc2)C(=O)[C@@H]1O 1564178 OZBIGUBWSLDSBU-RBBKRZOGSA-N 329.399 4.032 0 40 EIAB CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)cc2)N1 1764473 FXSVNCBUPHSAAE-KRWDZBQOSA-N 331.872 4.111 0 40 EIAB CCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 1933558 NGDIKMOIMOVDBV-UHFFFAOYSA-N 342.464 4.019 0 40 EIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(C(F)(F)F)cc1 2514912 DRGQOBWSGTUXAQ-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2ccccc2n1 3344369 LMHXXQZZUAIQFP-UHFFFAOYSA-N 328.774 4.300 0 40 EIAB Cc1noc(C)c1C(=O)Oc1ccc2cc(Br)ccc2c1 3533530 KWSMRZZKBHTUFT-UHFFFAOYSA-N 346.180 4.426 0 40 EIAB NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 4119579 MWGZSNLLUOVUNK-UHFFFAOYSA-N 333.456 4.197 0 40 EIAB Cc1cccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 4571398 JXXWRXBGBDTJFO-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB CCc1cc2cc(C)ccc2nc1SCC(=O)N1CCCCC1 4849320 FPPKZJKUSXUYPW-UHFFFAOYSA-N 328.481 4.210 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)Cc1c(F)cccc1Cl 5406299 FPAKWTIAWWWHOQ-UHFFFAOYSA-N 348.830 4.290 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2Cl)c1C 6272477 MEPMTIUFSSALHQ-UHFFFAOYSA-N 334.803 4.022 0 40 EIAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccccc1Cl 7092997 WIHCKDKPRAIKGV-LLVKDONJSA-N 345.855 4.346 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 8040631 VINWOCPFSAPAJJ-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB O=C1Cc2cc(-c3csc(-c4ccccc4)n3)cc3c2N1CCC3 8270338 GZBGQMYAKLZJRB-UHFFFAOYSA-N 332.428 4.312 0 40 EIAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OC 8497383 RXJBOMWQCKWPTE-HILYYZTDSA-N 329.484 4.398 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccco3)no2)cc1Cl 8673559 KCCNJGWRZNSONY-UHFFFAOYSA-N 345.786 4.253 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063270 XKXAIZGKGZDJJU-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1 9232152 JZVRVLJGNIDJKT-KRWDZBQOSA-N 336.435 4.110 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)Nc3nc(C)cs3)ccc2c1 10554809 MKBFVFBMSZQXFZ-LBPRGKRZSA-N 326.421 4.356 0 40 EIAB Cc1ccc(NC(=S)NC(=O)C23CC4C[C@H](CC[C@H](C4)C2)C3)cc1 12437298 YCCWQNYVCHNBSD-OZSOSCRKSA-N 342.508 4.415 0 40 EIAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cn1 12780977 XMBVDRZUBZTIPS-UHFFFAOYSA-N 344.720 4.237 0 40 EIAB COc1cccc(-c2nc(C(=O)Oc3ccccc3)cs2)c1OC 12853442 RMYVANKDOZQYNG-UHFFFAOYSA-N 341.388 4.047 0 40 EIAB CC(C)c1ccccc1NC(=O)CCCNC(=O)c1ccsc1 12981513 BENRKLUMIVSMON-UHFFFAOYSA-N 330.453 4.020 0 40 EIAB CN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1ccccc1Cl 13058047 RKPDFSVAIABUEC-UHFFFAOYSA-N 348.233 4.274 0 40 EIAB CCOc1ccc(CNC(=S)Nc2ccc(C)cc2)cc1OCC 13754888 WNMAOTRIMNYHPK-UHFFFAOYSA-N 344.480 4.279 0 40 EIAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1cccc(C(F)(F)F)c1 14200304 PZVZIVJATPAGCF-LLVKDONJSA-N 348.324 4.267 0 40 EIAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1 18131704 VOCXLCCRZBWXQS-IBGZPJMESA-N 327.424 4.365 0 40 EIAB COCCCNc1nc(-c2ccc(Cl)cc2)cc2ncccc12 19717987 ONCSBFMOPGSOJC-UHFFFAOYSA-N 327.815 4.399 0 40 EIAB CC(C)c1nc2nc(-c3ccccc3)nn2c(N)c1-c1cccs1 20676155 NOQKVNDUZXPOME-UHFFFAOYSA-N 335.436 4.225 0 40 EIAB COc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1 22074750 RJARTYJUSFTJNM-UHFFFAOYSA-N 328.214 4.473 0 40 EIAB CC(=O)Nc1nc(CN(C)Cc2cccc(Cl)c2Cl)cs1 24816426 MWYLFXGLMYTDFT-UHFFFAOYSA-N 344.267 4.040 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26295729 WQTKINSRLOIMFR-MJBXVCDLSA-N 328.378 4.476 0 40 EIAB Oc1nc2scc(-c3ccccc3)c2c2nc(-c3ccccc3)nn12 32072901 XGPFDUBOIFUENA-UHFFFAOYSA-N 344.399 4.379 0 40 EIAB C[C@H](NC(=O)CCn1cnc2ccccc21)c1cccc2ccccc12 32768651 OTCKXSHJPGTLGE-INIZCTEOSA-N 343.430 4.457 0 40 EIAB CCOC(=O)c1ccoc1COC(=O)c1occc1-c1ccccc1 32829143 FOSZKTPLYBUWNE-UHFFFAOYSA-N 340.331 4.073 0 40 EIAB CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 34797423 RRHKBUYXWWDYGZ-GDIGMMSISA-N 331.456 4.305 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1Cl 40526881 ZXGIKRRYLACVRP-UHFFFAOYSA-N 349.793 4.101 0 40 EIAB Brc1ccc(O[C@H]2CCCNC2)c(-c2ccccc2)c1 42774892 HGLJJCMVUQGTFT-HNNXBMFYSA-N 332.241 4.247 0 40 EIAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 45927488 SOXFKDMZIAYACE-ZBFHGGJFSA-N 343.496 4.348 0 40 EIAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1Cc1ccccc1Cl 55524102 XLIJHLNPMVEXQO-HNNXBMFYSA-N 339.826 4.064 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2cc(C)sc2C)c1 58341257 NZDVFUWJHPMZPB-LBPRGKRZSA-N 346.452 4.343 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3S2)n1 65519034 JOYYNWKPCMRIIK-GDBMZVCRSA-N 344.505 4.222 0 40 EIAB O=C(/C=C/c1cc2cc(Cl)ccc2o1)NCCc1ccccc1 67339224 LANKDUOADLPGMK-VQHVLOKHSA-N 325.795 4.458 0 40 EIAB COc1cccc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)c1 69741419 PNUXBXRUGZZWAS-MJGOQNOKSA-N 339.460 4.076 0 40 EIAB CC(C)(C)[C@H](O)CCNC(=O)c1sc2ccccc2c1Cl 72242739 CHZDRMRFELPGEX-GFCCVEGCSA-N 325.861 4.082 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1 72329169 UNPHECJJEHPPEI-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 77669981 KVTZTYGQNJSRSS-NEPJUHHUSA-N 335.810 4.338 0 40 EIAB Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2ccncc2)cc1 78552697 VZGIYBDCZCUQDQ-FQEVSTJZSA-N 346.409 4.102 0 40 EIAB Cc1nc(CN(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)no1 89562800 WEGNHPRHNSTNQD-LBPRGKRZSA-N 328.441 4.003 0 40 EIAB C[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(Oc2cccnc2)c(F)c1 96478378 BKIJMQIGZFAWNR-ZIAGYGMSSA-N 340.402 4.158 0 40 EIAB Cc1noc(C)c1[C@@H](C)CC(=O)N(c1ccccn1)C1CCCC1 96484092 DPOOSBZFDFZNET-ZDUSSCGKSA-N 327.428 4.156 0 40 EIAB Cc1nc(S[C@@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)nc2c1CCCC2 100987855 ICBMSLDVHUITMU-CRFBAAHOSA-N 330.497 4.150 0 40 EIAB O=C1C=C/C(=N\Nc2cccc(Br)c2)c2ccccc21 101104026 SMHONYRUWCAJRV-XDJHFCHBSA-N 327.181 4.018 0 40 EIAB COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1 199716705 SWKKMNWZFJJIGZ-UHFFFAOYSA-N 328.412 4.340 0 40 EIAB COc1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2)CC1 208043027 ZJXMKBIBBVBVOS-GOSISDBHSA-N 342.464 4.407 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C(C)C)N21 222704500 OVGICUDSZNVISO-BMGDILEWSA-N 340.496 4.443 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 223434156 AUDSTMOLUMHEHZ-UHFFFAOYSA-N 341.885 4.480 0 40 EIAB CCOCc1cc(C(=O)NC2CCCCCCC2)ccc1OCC 224701149 AFVKWABJISPLCD-UHFFFAOYSA-N 333.472 4.465 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(OC)cc1 225488955 KMTVZYSJASONOE-INIZCTEOSA-N 336.407 4.411 0 40 EIAB Cc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)n1 225807717 AZSNAGPLGOILFR-UHFFFAOYSA-N 327.497 4.433 0 40 EIAB COc1ccc(C2(NC(=S)Nc3ccccc3)CCCC2)cc1 225840168 NPABYECAXVQMIN-UHFFFAOYSA-N 326.465 4.451 0 40 EIAB CCOc1ncc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225861758 YPDYOLKGZOSWJY-UHFFFAOYSA-N 342.414 4.378 0 40 EIAB C[C@H](NC(=O)c1conc1-c1ccccc1)c1ccc(Cl)cc1 225870306 YWSFLVTZBYPBNV-LBPRGKRZSA-N 326.783 4.486 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)cc2C)CC1 408707761 DTJDNHQAPIBGBJ-UHFFFAOYSA-N 344.499 4.353 0 40 EIAB Clc1ccc(Oc2ccc(I)cn2)cc1 685937860 XKOAZJQKULXLQX-UHFFFAOYSA-N 331.540 4.132 0 40 EIAB O=C1Nc2ccc(NC(=O)C3C4CC5CC(C4)CC3C5)c3cccc1c23 127479 KXYAJGAVZABAFD-UHFFFAOYSA-N 346.430 4.416 0 40 EIAB O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCC1 1003841 GSRFAHSCSGOPCG-UHFFFAOYSA-N 326.421 4.092 0 40 EIAB CC(C)(CNC(=O)c1ccc(F)cc1)SCc1ccc(F)cc1 1403538 QONLHCWXHXEUEW-UHFFFAOYSA-N 335.419 4.407 0 40 EIAB Cc1sc2ncnc(NC[C@H](c3ccccc3)N(C)C)c2c1C 3301302 JBYBSZIEQWWITL-OAHLLOKOSA-N 326.469 4.023 0 40 EIAB O=C(COC(=O)c1ccccc1F)c1ccc2c(c1)-c1ccccc1C2 3321934 MGMOSEAQRPGNKC-UHFFFAOYSA-N 346.357 4.437 0 40 EIAB CCCCC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 3348709 UKAMGGNGZPVLMH-UHFFFAOYSA-N 338.618 4.319 0 40 EIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc2nccnc2c1 3439181 KSICICSNONGWRT-UHFFFAOYSA-N 339.398 4.149 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1Cl 3620077 KKMSNWPQLONGMS-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCCCNc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 4374882 QJTFNBPCUDLPCZ-UHFFFAOYSA-N 344.850 4.281 0 40 EIAB Cc1ccccc1-c1ccc(=O)n(Cc2c(F)cccc2Cl)n1 5409900 OQHYCXXLQIFNLY-UHFFFAOYSA-N 328.774 4.060 0 40 EIAB O=C1CC[C@@H](c2nc3ccccc3[nH]2)N1Cc1ccc(Cl)cc1 5544870 UFKPKXMTQNHEKA-INIZCTEOSA-N 325.799 4.080 0 40 EIAB CCN(CC)C(=O)c1sc2nc3c(cc2c1N)CCCCCC3 5608774 VRXVSZKXCKPJTC-UHFFFAOYSA-N 331.485 4.020 0 40 EIAB O=C(COC(=O)C1CCC1)c1c(-c2ccccc2)[nH]c2ccccc12 6638958 DZKCAHXPFXUSAM-UHFFFAOYSA-N 333.387 4.361 0 40 EIAB O=C(Nc1cccc(CCc2ccccn2)c1)c1c(F)cccc1F 6659416 QEQQGHVSGZNUKY-UHFFFAOYSA-N 338.357 4.397 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(OC(F)F)cc1 7804747 GYXZWWIAIBKSSR-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1cccc(F)c1 7925169 SYWCZRVKDAOUHG-UHFFFAOYSA-N 326.198 4.034 0 40 EIAB Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cs1 7995552 IEVUUAWJGDENNZ-UHFFFAOYSA-N 334.750 4.305 0 40 EIAB Oc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 8297680 SXTJQZDVRRMAMU-UHFFFAOYSA-N 325.389 4.344 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(Cl)cc1C)C2 8336303 CZLKKSYCRZHPLV-UHFFFAOYSA-N 328.843 4.220 0 40 EIAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2F)cc1 8411467 INZPRWHUKDTOOF-UHFFFAOYSA-N 342.439 4.316 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1c(C)cc(C)cc1C 8480260 XIDDUGSUNKKUGS-INIZCTEOSA-N 327.424 4.417 0 40 EIAB O=C(c1ccc(F)c(F)c1)N(C(=O)N1CCCCC1)c1ccccc1 10254463 QMOZOIVWZFEPLA-UHFFFAOYSA-N 344.361 4.218 0 40 EIAB COc1ccc(-c2c(C)c3c(C)cc(OC(C)=O)cc3oc2=O)cc1 11865135 YAAFETPMUZYQMY-UHFFFAOYSA-N 338.359 4.011 0 40 EIAB biogenic Cc1cc(C)n(-c2cc(Oc3ccc(OC(C)C)cc3)nc(C)n2)n1 12389901 KRDMPEFBVIOFSR-UHFFFAOYSA-N 338.411 4.167 0 40 EIAB CCc1nc2ccccc2n1C[C@@H](O)c1cccc(Br)c1 12525241 IUXXTLQGCHVGKY-MRXNPFEDSA-N 345.240 4.095 0 40 EIAB O=C(CCCOc1ccc(F)cc1)Nc1ccc(O)c2ccccc12 12734579 BKHYAUBIWTWPDM-UHFFFAOYSA-N 339.366 4.482 0 40 EIAB CC(C)n1ncc2cc(C(=O)Nc3cccc4c3CCCC4)cnc21 12825721 JEIKMVBMKAADKK-UHFFFAOYSA-N 334.423 4.143 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12929809 ONVDWICJBFETDT-INIZCTEOSA-N 345.446 4.160 0 40 EIAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(C)cc1 13228224 KPALOUFQCBXDDB-UHFFFAOYSA-N 349.463 4.442 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13708762 BBSHNHWZEDVNPD-INIZCTEOSA-N 349.430 4.274 0 40 EIAB O=c1[nH]c(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CCCC3 13998029 HEUMISXOXPNUCQ-UHFFFAOYSA-N 340.492 4.331 0 40 EIAB Cn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 14091341 SUPWNTUXVODNDO-UHFFFAOYSA-N 329.856 4.352 0 40 EIAB COc1ccc(/C=C/c2noc(C)c2NC(=O)C2CCCC2)cc1 14093858 LCXVEVLTMRDNHC-FMIVXFBMSA-N 326.396 4.291 0 40 EIAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCO2 14241018 WDLMQNDLMOJFFU-GFCCVEGCSA-N 341.432 4.023 0 40 EIAB CC(C)COc1ccccc1NC(=O)COc1ccc(Cl)cc1 14771152 QATAOSKMKMOTQZ-UHFFFAOYSA-N 333.815 4.392 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccccc2)CC3=O)cc1 20633084 YAMLPWGSVGANNP-MRXNPFEDSA-N 332.403 4.102 0 40 EIAB O=C(c1ccccc1Cl)N1CCC(c2nnc(C3CC3)s2)CC1 23140761 ZERVRXLARLBQCW-UHFFFAOYSA-N 347.871 4.089 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 28575734 FKQVKPRBBFBAKO-ZIAGYGMSSA-N 331.387 4.116 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl 28605362 SRNCPBXYGIKVPT-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB COc1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)ccc1C 31543765 FZOUZCGKVDYSQR-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB c1ccc(-c2ncc(OCc3coc(-c4ccccc4)n3)cn2)cc1 31785219 MBDUETKXVBOKIF-UHFFFAOYSA-N 329.359 4.378 0 40 EIAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccccc1 32642894 ZXVKXJOMJDLNSQ-UHFFFAOYSA-N 335.407 4.035 0 40 EIAB CCOCCCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 32904284 UHTWDNMBIAVWEF-PKNBQFBNSA-N 333.428 4.110 0 40 EIAB CC(C)(CO)[C@@H](O)C(C)(C)[C@@H]1Nc2ccccc2-c2ccccc21 38337882 WDDNCWFDWZLAAL-RTBURBONSA-N 325.452 4.226 0 40 EIAB Cc1nc2ccccc2nc1COC(=O)c1ccc2ccccc2c1O 39577011 UTVRGKFDAQNZKS-UHFFFAOYSA-N 344.370 4.154 0 40 EIAB COc1ccc(C)cc1/C=C/C(=O)Nc1cnc(-c2ccccc2)nc1 40012718 DFHBIXSMZVUGHJ-PKNBQFBNSA-N 345.402 4.113 0 40 EIAB C[C@@H]1CCc2sc(C(=O)Nc3cccc(-n4ccnc4)c3)cc2C1 40119362 IMUNHYJQYZVSPB-CYBMUJFWSA-N 337.448 4.311 0 40 EIAB CCCCCOc1ccc2cc(S(=O)(=O)NC(C)C)ccc2c1 41105606 WLSFZUKUOLLUIB-UHFFFAOYSA-N 335.469 4.096 0 40 EIAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1cc(F)ccc1F 43744446 MZQGVJYAIMSRAX-VIFPVBQESA-N 327.277 4.057 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1c(F)cccc1F 54566787 ZJBSJKUJVJJHFW-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB CCN(CC)CCC[C@@H](C)NC(=O)CSc1ccccc1Cl 57157006 OZMKTSNKGWSPIU-CQSZACIVSA-N 342.936 4.059 0 40 EIAB C[C@@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1Cl 58065837 JLQKGBQZKHSTQA-RDTXWAMCSA-N 339.826 4.003 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 58167228 WXNDFKXIAJAKMC-MFKMUULPSA-N 340.250 4.071 0 40 EIAB CC1(C)Oc2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2O1 58370099 WYWLEIUHDDCZCO-UHFFFAOYSA-N 334.375 4.237 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 67945255 HAOFFIMVXGKEHK-LSDHHAIUSA-N 328.799 4.041 0 40 EIAB CN(C)C1(CNC(=O)c2cccc(Oc3ccccc3)c2)CCCC1 69461835 VUHYOSCOZANUQR-UHFFFAOYSA-N 338.451 4.083 0 40 EIAB COc1ccccc1-c1c[nH]cc1C(=O)N[C@H](C)Cc1ccsc1 69489103 AFISSJGENBYTPT-CYBMUJFWSA-N 340.448 4.113 0 40 EIAB CCN(C(=O)N[C@H](C)c1c(F)cccc1OC)[C@H](C)c1cccnc1 78946999 NZJRMVOQOGOZRN-ZIAGYGMSSA-N 345.418 4.083 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)N3[C@H]4CCCC[C@H]4C[C@H]3C)cc2)o1 83575445 UKISCLLGHDCSJC-PVUWLOKVSA-N 340.427 4.230 0 40 EIAB CC1(C)C[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCO1 85874982 RQSXMUNZCHBRIZ-HNNXBMFYSA-N 340.467 4.124 0 40 EIAB biogenic CN(Cc1nccs1)C(=O)N[C@H](c1ccccc1F)C1CCCC1 88784542 JPILMSDGCPZKDB-KRWDZBQOSA-N 347.459 4.355 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc(C)nc2Br)c(C)c1 89626738 WRBOPYVTBBBLEK-UHFFFAOYSA-N 333.229 4.330 0 40 EIAB Cn1ncnc1CN[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 95964694 FIBFIFXFOSFRLR-QGZVFWFLSA-N 347.249 4.001 0 40 EIAB Cc1csc(CN(C)C(=O)c2ccnc(SC(C)(C)C)c2)n1 95995216 ZCMLBBCKUMXQBC-UHFFFAOYSA-N 335.498 4.009 0 40 EIAB C[C@@](O)(CN1CC=C(c2cncc3ccccc23)CC1)c1ccccc1 96012870 QHTDTDNNVRXTII-HSZRJFAPSA-N 344.458 4.232 0 40 EIAB COC1(CNC(=O)Nc2ccccc2Cl)C2CC3CC(C2)CC1C3 96123934 GUDUTJGNOUHXST-UHFFFAOYSA-N 348.874 4.303 0 40 EIAB Cn1ccc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc21 96223133 XZIOWPMMBDZGLJ-IBGZPJMESA-N 344.418 4.032 0 40 EIAB Cc1csc(N2CCC(Nc3cccc(-c4ncco4)c3)CC2)n1 97232321 XCZWZMZWANXVCE-UHFFFAOYSA-N 340.452 4.187 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1cccc(Cl)c1 100069897 VFLQXXOFHCXXCN-LMSBXDPUSA-N 339.822 4.132 0 40 EIAB COc1ccc(C(=O)/N=c2/sc3c4ccccc4ccc3n2C)cc1 100842376 NVCKBQQUGAMPKL-QZQOTICOSA-N 348.427 4.143 0 40 EIAB O=C(c1ccccn1)N1CCS[C@H](c2ccccc2Cl)CC1 206994382 ONVGWIUDTKWGNQ-INIZCTEOSA-N 332.856 4.055 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224131164 AILBRTIJFBAVKK-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB COc1ccc(NC(=S)NCc2ccccc2Cl)cc1Cl 225371265 KYRZYJRAGXSFEE-UHFFFAOYSA-N 341.263 4.489 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Nc1ccccc1OC 225769194 ZDEWYPLCAGQAQB-UHFFFAOYSA-N 342.439 4.238 0 40 EIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 225886298 RCXUNRWYGHTOBR-IBGZPJMESA-N 330.428 4.167 0 40 EIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)cc2)c1 226255044 FYMGOXQSXXKRHF-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F 245180675 ZFZIGYFEWOFYLH-CQSZACIVSA-N 325.383 4.252 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc(Br)o1 390831152 QAXNTVZEHKCCAG-UHFFFAOYSA-N 346.180 4.232 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 408626100 LUJVLHSSHDAQNL-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB Cc1cc(=NC2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2[nH]1 515501784 JUJGGUGLSBVCRQ-UHFFFAOYSA-N 349.453 4.181 0 40 EIAB O=S(=O)(c1cccc2ccccc12)N1CC[C@@H](c2ccsc2)C1 675008315 QQZQRPANFNIXCV-OAHLLOKOSA-N 343.473 4.080 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2s1 209484 QOSGGGHOIMXSOQ-UHFFFAOYSA-N 336.338 4.496 0 40 EIAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CC=CC[C@H]12 481833 CHFLANURWLKBDG-ZTCHHREXSA-N 344.065 4.230 0 40 EIAB O=C(c1cccc(CN2CCSCC2)c1)c1ccc(Cl)c(F)c1 2515295 BNLRCZGMUSMTKT-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1cccc(C)c1 3229774 LYYVFBFIGZGCOH-UHFFFAOYSA-N 336.391 4.033 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)cc1C 3553126 ZOTZANPRRDNUCK-UHFFFAOYSA-N 329.377 4.232 0 40 EIAB COc1cc(C(=O)Nc2ccc3sccc3c2)cc(OC)c1OC 4134734 BRXDBWWLPCZOKM-UHFFFAOYSA-N 343.404 4.179 0 40 EIAB Clc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCCC2)cc1 4230571 VLOCKYJSSQCOMV-QGZVFWFLSA-N 345.878 4.017 0 40 EIAB Cc1occc1-c1nnc2sc(Cc3cccc4ccccc34)nn12 4938961 VGPRMUKLECRJES-UHFFFAOYSA-N 346.415 4.498 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 5378282 ANWFOOGTTBXEDT-UHFFFAOYSA-N 334.828 4.101 0 40 EIAB CN(C)c1ccc(N(C)C)c(C(O)(c2ccccc2)c2ccccc2)c1 5386861 XYGQOQIWPMFLRP-UHFFFAOYSA-N 346.474 4.103 0 40 EIAB Cc1ccccc1NCN1C(=O)/C(=C\c2ccccc2)SC1=S 5390643 HEOQNCWWXQYDBG-LFIBNONCSA-N 340.473 4.266 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5415939 BHLLAVVZDDAHGS-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccccc1Cl 5706320 HYCSKWUMFITLLO-UHFFFAOYSA-N 338.823 4.425 0 40 EIAB Cc1ccc(-c2n[nH]c(SCCCOc3ccc(F)cc3)n2)cc1 5865601 VHXSXFNIESNUQG-UHFFFAOYSA-N 343.427 4.480 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 6509811 LZLLYSQQAROASQ-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB COc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 6582303 AGMDKIRGPHAMQJ-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB CCCCCC(=O)Nc1cc(C)c(I)cc1C 6595138 LCPPPZXNLJNNDW-UHFFFAOYSA-N 345.224 4.427 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 7804414 VWXBASBABMACOW-SIHNGCNOSA-N 327.468 4.095 0 40 EIAB CCCc1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 8392265 KLIVAGBKFRFWKG-UHFFFAOYSA-N 330.457 4.015 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)sc1Cl 8924094 TYWFJSVSQDVJCR-UHFFFAOYSA-N 344.219 4.484 0 40 EIAB Cc1ccc2cc(COC(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 9281376 WHGYPCHFUXJUKT-UHFFFAOYSA-N 349.430 4.491 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 9899772 LAJBPTAZJHYZDD-JXMROGBWSA-N 336.822 4.419 0 40 EIAB Cc1ccc(C)c(CC(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 10700882 NEINLRYIZJWHMF-UHFFFAOYSA-N 335.407 4.151 0 40 EIAB CC[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1 10918853 POFMTRNGIFWEJZ-KRWDZBQOSA-N 330.815 4.180 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)CSc1cc(F)ccc1F 11018667 RXHVFPWNGWNJKV-UHFFFAOYSA-N 349.402 4.045 0 40 EIAB COc1ccc(C)cc1NC(=O)c1occc1COc1ccccc1 11427499 NCRQKCGOSFYQFS-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB Cc1cc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)cc(C)c1Cl 11915463 MEDHOMCSABAKQW-SNVBAGLBSA-N 348.830 4.087 0 40 EIAB CSc1ccccc1C(=O)NCc1cc(-c2cccs2)on1 12725386 JQMGYPGPFJWPGY-UHFFFAOYSA-N 330.434 4.055 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1F)[C@@H](c1ccccc1)N1CCCC1 12824468 FPJKCVGZWSFNOM-KXBFYZLASA-N 341.430 4.173 0 40 EIAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c(Cl)c1 12867557 JMQQPFVQEZZLLF-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB Fc1ccccc1NC(=S)Nc1ccccc1Br 13787153 IXNYESWWOVYOFR-UHFFFAOYSA-N 325.206 4.397 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccs1 15640448 JATYCYIYLSYAKM-UHFFFAOYSA-N 337.326 4.205 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 16599340 LOEHGLINQRDGFM-INIZCTEOSA-N 337.250 4.026 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 17043649 HQSMCZUWNSZKIC-APOUVHJUSA-N 328.452 4.370 0 40 EIAB Cc1ccccc1CN(C)C(=O)NCC12CC3CC(CC(C3)C1)C2 17113807 DCJRNYYKLRKQOL-UHFFFAOYSA-N 326.484 4.353 0 40 EIAB Cc1cccc(-c2nnc([C@@H](C)Sc3nc(C(C)C)n[nH]3)o2)c1 17673792 IGVBCDHBSUTJAS-LLVKDONJSA-N 329.429 4.140 0 40 EIAB Cc1cc(NC(=O)c2cc(N)ccc2Cl)ccc1Br 19268083 ZDUZIYAVNXFGEM-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB COc1ccc2c(c1)C[C@@H](c1cccnc1)N[C@H]2c1ccc(F)cc1 19562607 VDIYSOIBAILQLG-SFTDATJTSA-N 334.394 4.206 0 40 EIAB CCOC(=O)c1cnc2ccc(F)cc2c1NCCc1ccccc1 19793092 WAIVQZKXEKAAOK-UHFFFAOYSA-N 338.382 4.205 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)OCc1ccc(F)cc1)CCCC2 20793823 CWLORBQMLVRJEX-UHFFFAOYSA-N 347.411 4.081 0 40 EIAB C[C@@H]1CCc2c(sc3nc(SCC(=O)C(C)(C)C)nc(N)c23)C1 21228499 IVQOZMSZDFFPIR-SECBINFHSA-N 349.525 4.106 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 22511064 MIJZILLJUYBWEK-AWEZNQCLSA-N 341.407 4.003 0 40 EIAB c1ccc2c(-n3nnc4ccccc43)nc(-c3ccsc3)nc2c1 22796546 BEIMJDPXOQIDEG-UHFFFAOYSA-N 329.388 4.092 0 40 EIAB COc1ccc(C)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 28239158 JORXXYODJAGYSQ-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB O=S(=O)(Oc1ccc2c(c1)oc1ccccc12)c1cccs1 28464051 WKYAXLAATIELRH-UHFFFAOYSA-N 330.386 4.415 0 40 EIAB Cc1cccc(-n2ncc(C(=O)N[C@@H](c3ccccc3)C3CC3)c2C)c1 29646482 LTJOYMVHUXXDQX-NRFANRHFSA-N 345.446 4.370 0 40 EIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc(Br)c1 29799328 RNRLFVYDJJSGRB-UHFFFAOYSA-N 342.196 4.092 0 40 EIAB Cc1ccc(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)s1 31797438 SJYPMUAPVIEIDP-UHFFFAOYSA-N 335.498 4.272 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl 32593911 NXXAEIHADULXFO-UHFFFAOYSA-N 325.195 4.430 0 40 EIAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1 36674685 JFEVADJVFAMSHV-UHFFFAOYSA-N 343.452 4.044 0 40 EIAB O=C1C[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc21 36708757 AMGKLPYSEUAFNH-GFCCVEGCSA-N 342.807 4.258 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1 43362403 HTXJYPARGVOMLQ-SECBINFHSA-N 341.745 4.219 0 40 EIAB CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C 43405471 UOKFMEWTBZWQCP-UHFFFAOYSA-N 328.412 4.066 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 44841001 MEFXBXNHFWWPOF-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB CCCc1noc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)n1 48302945 NQTQZFCEECYPLY-IBGZPJMESA-N 333.435 4.170 0 40 EIAB Cc1nc2ccc(NCc3nc(Cc4ccccc4)no3)cc2s1 55831741 LNPCDWYBURVXJR-UHFFFAOYSA-N 336.420 4.191 0 40 EIAB COCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 58312856 WJOAABUDNZMJOQ-UHFFFAOYSA-N 331.224 4.092 0 40 EIAB CC1(C)CC[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc21 58412917 AWNQKCLQEWVYRG-XJKSGUPXSA-N 326.267 4.499 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)NO[C@@H]2CCCCO2)c1C 58416003 XIILQQZYRWORIO-LJQANCHMSA-N 340.423 4.235 0 40 EIAB CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C 65322260 IPANXRHFYIIRQY-UHFFFAOYSA-N 342.487 4.198 0 40 EIAB CCC[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 69587689 YZRRDVICVALJKC-AWEZNQCLSA-N 346.496 4.163 0 40 EIAB Cc1cccc([C@H]2C[C@@H]2C(=O)N(Cc2cccnc2)Cc2ccco2)c1 69652840 HNZXMRABPJUPER-RTWAWAEBSA-N 346.430 4.316 0 40 EIAB Cc1occc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 69844839 LOUPYTKHZNWWMB-UHFFFAOYSA-N 346.814 4.120 0 40 EIAB CCCc1nc(C)sc1C(=O)Nc1cnc2cc(OC)ccc2c1 72405430 DNEKIYMVHNGIGD-UHFFFAOYSA-N 341.436 4.213 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)cc1C 72427503 OURJVWWLPFTIHG-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB CCn1ccc2cc(NC(=O)c3ccccc3-c3cncnc3)ccc21 78095815 YHOAKXGYGPSXMO-UHFFFAOYSA-N 342.402 4.371 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 79030389 HGDVBQNXNCREIR-SNVBAGLBSA-N 333.775 4.377 0 40 EIAB O=C(c1c[nH]c2ccccc2c1=O)N1CC2(CCCC2)c2ccccc21 81811585 BJGPXUROZKVJQA-UHFFFAOYSA-N 344.414 4.000 0 40 EIAB O=C(NCc1ccc(F)c(Cl)c1)Nc1cccc(C(F)(F)F)n1 96013105 GVDGUVVCVGHVTE-UHFFFAOYSA-N 347.699 4.215 0 40 EIAB COc1cccc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)oc12 97254606 QCVZCCXWIAWLIH-UHFFFAOYSA-N 325.408 4.140 0 40 EIAB O=C1N[C@H]2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C=CC=C[C@@H]2[C@@H]13 101036577 IDCLPJDWZLYUIR-GKJHBJHPSA-N 325.411 4.084 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(F)cc23)c1 101166948 IPRMWIFSEBYCAX-QAPCUYQASA-N 328.412 4.069 0 40 EIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222868618 VIVVASBDNMDMCC-DLBZAZTESA-N 342.512 4.021 0 40 EIAB O=C(NCCOc1ccccc1)/C(=C/c1ccco1)c1ccccc1 223429368 UEIQQQDAOXCGMX-CAPFRKAQSA-N 333.387 4.015 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 223798609 NAIDRTNVJPXJLE-UHFFFAOYSA-N 327.424 4.018 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(OC)cc1 225488915 KMTVZYSJASONOE-MRXNPFEDSA-N 336.407 4.411 0 40 EIAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccccc1C 225758195 JIYDRGWVZVTGQX-QGZVFWFLSA-N 342.464 4.219 0 40 EIAB COc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 225769552 YZRWZVFOKAHCJN-INIZCTEOSA-N 340.423 4.428 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ccc(OCC)cc2N)c1 226349348 YOAJZQQIAKXHKX-UHFFFAOYSA-N 328.412 4.099 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2ccc(C)cc2N)cc1Cl 226349854 FCBBOVMTFBIPDI-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB CC[C@@H](C(=O)N1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2)c1ccccc1 244933227 CIFIUKWHRADVGO-FDFHNCONSA-N 348.490 4.056 0 40 EIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 256031057 YJGNARLPRXDZOH-UHFFFAOYSA-N 347.480 4.410 0 40 EIAB Cc1ncsc1CN1CCC[C@H]1c1ncc(Cc2ccccc2)o1 257344166 ZWAFPGNTCFNSIM-KRWDZBQOSA-N 339.464 4.367 0 40 EIAB Cn1nccc1[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2s1 282149579 QGGCGWXNFAMXRP-OAHLLOKOSA-N 343.427 4.141 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccoc2)cc1 390829713 GAXSPQKVBRHVFV-UHFFFAOYSA-N 341.794 4.295 0 40 EIAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1O 409124299 AUQFSROYFURCCH-MHWRWJLKSA-N 347.436 4.017 0 40 EIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 48077 MAXNUMUSQWWIBE-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB O=Cc1cn(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc12 336419 PNPNBQNBIPAKQO-UHFFFAOYSA-N 347.201 4.399 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1 568987 LNWXCRNVLVMETG-CYBMUJFWSA-N 342.464 4.336 0 40 EIAB O=C(CSc1cc(Cl)ccc1Cl)NCc1ccccc1 3417418 JJTYOLYURZOQOY-UHFFFAOYSA-N 326.248 4.402 0 40 EIAB CC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)nc1C 4072591 FMRMTMVEAQRKLJ-UHFFFAOYSA-N 329.208 4.213 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1C)C2 4857099 ZILDTCDQNGXCTE-ALOPSCKCSA-N 331.529 4.077 0 40 EIAB CC[C@@H]1CN2C(=N1)c1ccccc1-c1cc(Br)ccc12 5010647 PHVIJPZAGARXME-GFCCVEGCSA-N 327.225 4.475 0 40 EIAB Cc1ccc([C@@]2(O)c3ccccc3C(=O)N2c2ccccc2C)cc1 5069102 PSOUOVAITBKAKF-JOCHJYFZSA-N 329.399 4.157 0 40 EIAB COc1ccc(C2=NN=C(Nc3c(C)cccc3C)SC2)cc1 5660422 LPGJIKVQFKOUMK-UHFFFAOYSA-N 325.437 4.231 0 40 EIAB CCCCn1c(O)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 6162163 SZBNORRGEZQIES-UHFFFAOYSA-N 333.391 4.051 0 40 EIAB Cc1c(Cl)cccc1NC(=O)Cn1cc(C=O)c2ccccc21 6389813 MEBMVNUETRBDQR-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB C[C@@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2cccs2)o1 6843372 BMGTZVKBBPXKKC-MRVPVSSYSA-N 346.393 4.294 0 40 EIAB COc1cccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 7004878 HQMPMJLYTFPHPS-UHFFFAOYSA-N 345.855 4.436 0 40 EIAB CCCCOc1cc(/C=C2/C(=O)N(C)c3ccccc32)ccc1OC 7007422 ZUPDHOXUDPJRDW-GHRIWEEISA-N 337.419 4.391 0 40 EIAB Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 7889943 OJCWNHHUUIHZHH-HXUWFJFHSA-N 337.444 4.341 0 40 EIAB Cc1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cnn1-c1ccccn1 8715114 IOWGOQISLIJIAH-UHFFFAOYSA-N 334.423 4.126 0 40 EIAB C[C@@H](OC(=O)CSc1ncnc2sccc12)c1ccc(F)cc1 9718836 BPHMBVMFZRTOFI-SNVBAGLBSA-N 348.424 4.227 0 40 EIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccnc1 10691879 GKIGJAYTOGXXHY-LJQANCHMSA-N 341.414 4.125 0 40 EIAB CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 10774962 REPRBMMTNPYPCI-UHFFFAOYSA-N 336.844 4.136 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cccc(Cl)c1 11913865 KDTLUYMIHNDJOY-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB Fc1cccc(-c2nnc3sc(/C=C/c4cccs4)nn23)c1F 12322652 BNCHITMPNPWBBT-VOTSOKGWSA-N 346.387 4.363 0 40 EIAB CCOc1ccc(-c2nc(NC(=O)c3ccccn3)sc2C)cc1 12766976 BIIYIOWBMSFESX-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 12801935 UWKLOSREJFQQMY-VEGGFIAOSA-N 345.446 4.380 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12803858 BPUZARZQWPAECT-UHFFFAOYSA-N 332.709 4.145 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccsc1 13005623 OMYOYEOZZRKIOA-UHFFFAOYSA-N 328.418 4.059 0 40 EIAB Cc1ccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)cc1 13030677 JEPAZAIGYPIKOT-NRFANRHFSA-N 328.415 4.475 0 40 EIAB Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1 13495233 QTACCAOLRALORM-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB CC(C)Oc1ccc([C@@H](NC2CCN(C)CC2)c2ccccc2)cc1 13685492 TWODAZQSOLGALR-QFIPXVFZSA-N 338.495 4.247 0 40 EIAB COc1ccc(C(=O)CSc2cccc3cccnc23)cc1OC 16227201 CWULQENCADQNSG-UHFFFAOYSA-N 339.416 4.227 0 40 EIAB biogenic,in-vitro CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(CC)cc1 16751220 HWVAEVYYGWHFSB-LJQANCHMSA-N 347.414 4.311 0 40 EIAB CN1CCc2c(sc3[nH]c(=S)nc(Nc4ccccc4)c23)C1 19897359 YRDSOMBZPCHVQZ-UHFFFAOYSA-N 328.466 4.085 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20036354 WXXZMUHFPLRUSX-AWEZNQCLSA-N 340.423 4.174 0 40 EIAB CCN(CC)CCNCc1cccc(OCc2ccc(Cl)cc2)c1 22075458 DLFJWZOBTFEAMY-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1cccc2ccccc12 24691092 XDSVTISKRLMEBD-QGZVFWFLSA-N 345.446 4.488 0 40 EIAB Cc1ccc(CN(C(=O)COc2ccccc2)c2ccccn2)cc1 28291377 IRPNWWOAKLZWBN-UHFFFAOYSA-N 332.403 4.002 0 40 EIAB Cc1c(C)n(C[C@H](O)CN[C@@H]2CCCC[C@H]2C)c2c(Cl)cccc12 28296756 ZBMWXQGMDJSFMW-VVFCZOMOSA-N 348.918 4.441 0 40 EIAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1N1CCCCC1 28700422 CAFDVCQJJUMWIV-UHFFFAOYSA-N 336.435 4.279 0 40 EIAB CCN(CC(C)C)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 31376025 AEMOJAVUJIJXAD-UHFFFAOYSA-N 331.485 4.304 0 40 EIAB Cc1ccc([C@H](NC(=O)CSc2ccc(F)cc2)C2CC2)cc1 31957646 SGCTXIXPEOPRSJ-IBGZPJMESA-N 329.440 4.494 0 40 EIAB O=C(CCCc1nc(-c2cccs2)no1)NCCC1=CCCCC1 32477986 JZBTYAHNKMQQNP-UHFFFAOYSA-N 345.468 4.128 0 40 EIAB Cc1ccc(OCCN(C)C(=O)c2cc3ccc(F)cc3s2)cc1 32788884 XAFITCUZPAQAHI-UHFFFAOYSA-N 343.423 4.500 0 40 EIAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc(F)cc1F 32845190 WMKAMUUEYFHRRJ-ZJUUUORDSA-N 340.320 4.364 0 40 EIAB COc1cccc(NCc2n[nH]c(=S)n2-c2cc(C)ccc2C)c1 40163744 ZNCTZOWODROLIX-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccccc2C)cc1 44848993 PUTNGCFXGFYYOO-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2O)cc1 45621937 OMFCRVINTPLCHF-UHFFFAOYSA-N 347.374 4.289 0 40 EIAB O=C(c1csc(-c2cccs2)n1)N(Cc1ccncc1)C1CC1 46043147 GAUINVAMROSXBN-UHFFFAOYSA-N 341.461 4.071 0 40 EIAB Cc1nc2ccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc2nc1C 46556168 LJSPYMXKXWQMGD-UHFFFAOYSA-N 349.478 4.193 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(F)c(F)c1 48150215 QRSBZSXUKYOVHO-LBPRGKRZSA-N 342.349 4.033 0 40 EIAB C[C@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)C1CC1 48278569 TVLSGHBQPHLEHI-LBPRGKRZSA-N 347.418 4.296 0 40 EIAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccccc1OCC)n2C 49728963 IXYIHQFCJCJHSW-UHFFFAOYSA-N 338.407 4.228 0 40 EIAB Cc1ccccc1-n1ncc(C(=O)N(C)c2ccc(F)c(F)c2)c1C 56227266 YJSKCMTXHQIKIN-UHFFFAOYSA-N 341.361 4.044 0 40 EIAB Cc1c(C(=O)N(C)CCc2ccccn2)oc2c(Cl)cccc12 57027844 DZCZHVGNTFHPQX-UHFFFAOYSA-N 328.799 4.104 0 40 EIAB CSCc1cccc(C(=O)NC[C@H](C(C)C)N2CCCCCC2)c1 58381740 PLJRFHYROOFNOV-LJQANCHMSA-N 348.556 4.180 0 40 EIAB O=C(CCN1CC[C@@H](c2ccccc2)C1)Nc1ccccc1Cl 58394249 SIJOSOHXFQZGOU-MRXNPFEDSA-N 328.843 4.158 0 40 EIAB Cc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)nc(C(C)C)n1 63439972 HZVNBZNIMLQQIL-UHFFFAOYSA-N 343.475 4.236 0 40 EIAB O=C(Oc1ccccc1OC(F)(F)C(F)(F)F)c1ccccc1 68590853 UXFFOZWNYXNOJG-UHFFFAOYSA-N 332.224 4.440 0 40 EIAB Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccncc1 71234695 RWCMXNQHRMPWIM-UHFFFAOYSA-N 332.432 4.323 0 40 EIAB Cc1ccc(CCC2CCN(C(=O)c3cccc4[nH]ncc34)CC2)cc1 72280037 AADAHKDWZKCYEC-UHFFFAOYSA-N 347.462 4.356 0 40 EIAB CCCc1cc(N2CCCC[C@@H]2c2cccc(C)c2C)n2ncnc2n1 72307631 CTDOQEUBTNEYJP-LJQANCHMSA-N 349.482 4.425 0 40 EIAB COC[C@@](C)(NC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 75106251 BGUUQUZQFWTKQZ-QGZVFWFLSA-N 336.794 4.162 0 40 EIAB CCc1ccc([C@H](C)CC(=O)NC2(c3noc(C)n3)CCCC2)cc1 78053253 MRZLNCREEKKVGS-CQSZACIVSA-N 341.455 4.020 0 40 EIAB CCOc1ccc(CNCC(C)(C)N[C@@H](C)c2ccccc2)cc1 78725063 DNESPELDLGHKMY-KRWDZBQOSA-N 326.484 4.304 0 40 EIAB CC(C)(C)OC(=O)N1CCC(Oc2nc3ccccc3s2)CC1 79440212 LNCSSOGPCPMUDY-UHFFFAOYSA-N 334.441 4.075 0 40 EIAB Cc1nc(CNc2ccccc2NC(=O)Cc2cccs2)cs1 86206988 BRZAXOYMGHEVNY-UHFFFAOYSA-N 343.477 4.306 0 40 EIAB Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Br)o1 89620814 OYCYYPIWVKBFBX-UHFFFAOYSA-N 347.168 4.258 0 40 EIAB Cc1c(C(=O)N2CCSc3ccncc32)cccc1-c1ccccn1 95438232 AZATUZOKZPCMGZ-UHFFFAOYSA-N 347.443 4.205 0 40 EIAB Cc1cc(C)n(C[C@H](C)CNC2c3ccccc3-c3ccccc32)n1 95996300 UHFWDTQEZAWODD-OAHLLOKOSA-N 331.463 4.496 0 40 EIAB Cc1ccnc(-c2ccc(NC(=O)N(C)[C@H](C)c3ccccn3)cc2)n1 96406988 ITCCFBMUQSSRJH-OAHLLOKOSA-N 347.422 4.072 0 40 EIAB CC[C@](C)(NC(=O)c1sccc1Br)c1nccs1 96416608 VIBNJKYMZXJMPP-LBPRGKRZSA-N 345.287 4.022 0 40 EIAB C[C@H](OC(=O)[C@H]1CC1(Cl)Cl)c1nc2ccccc2n1C(F)F 97010016 LDFRMINIFRRKCQ-JGVFFNPUSA-N 349.164 4.229 0 40 EIAB COc1ncccc1C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 97166835 IINNUGMEUZKHBV-GFCCVEGCSA-N 330.815 4.109 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccccc1Cl 107323710 HTSGLJDFMSEAQY-LBTNJELSSA-N 334.891 4.028 0 40 EIAB c1ccc(-c2cnc(Nc3cc([C@@H]4CCCNC4)ccn3)s2)cc1 143122442 VVGGDIDRIOAUDO-MRXNPFEDSA-N 336.464 4.416 0 40 EIAB CCc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1 222539392 JDJZOJNEMHFFFW-UHFFFAOYSA-N 335.498 4.172 0 40 EIAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223464502 WCICPSHMGLYIMY-IAGOWNOFSA-N 341.451 4.265 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(F)cc2)c1 224832257 OJCYJSIJQYXDEC-FQEVSTJZSA-N 343.442 4.424 0 40 EIAB CCCSc1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 225390905 NRLHJUZPJCRFOQ-JTQLQIEISA-N 339.511 4.160 0 40 EIAB S=C(Nc1cccnc1)NC1(CCc2ccccc2)CCCC1 225874131 HCPDQKWVFQKDAV-UHFFFAOYSA-N 325.481 4.314 0 40 EIAB CC(C)(C)OC(=O)n1c(C(F)(F)F)cc2ccc(C(=O)O)cc21 381903353 HVOULXOYTHVJRG-UHFFFAOYSA-N 329.274 4.142 0 40 EIAB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2C)c2ccccc21 409120593 ULDLVLZRTHHGLY-ATVHPVEESA-N 337.419 4.309 0 40 EIAB COc1cccc2cc([C@@H](C)NCC3([C@@H](C)CCO)CCC3)oc12 539509313 IKHDUYSMOQTGGB-LSDHHAIUSA-N 331.456 4.281 0 40 EIAB O=C(NCc1cccs1)NC[C@H](c1ccco1)c1cccs1 585146840 YRAXPVBYALQGEB-CYBMUJFWSA-N 332.450 4.034 0 40 EIAB CCc1ocnc1C(=O)Nc1nc2ccccc2n1C1CCCCC1 606768781 IJEVWBXSRYIDNO-UHFFFAOYSA-N 338.411 4.344 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 73457 QTPHFKFKDRCEJG-JTQLQIEISA-N 340.206 4.408 0 40 EIAB CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1C 352919 KMXKOMDKKZDLAZ-UHFFFAOYSA-N 333.391 4.372 0 40 EIAB CCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 413161 UPWAPPXLXHUUHL-UHFFFAOYSA-N 345.399 4.062 0 40 EIAB CCSc1nc(N2CCCC2)c2c3c(sc2n1)COC(C)(C)C3 546730 OJPBKVZUHFCLCQ-UHFFFAOYSA-N 349.525 4.255 0 40 EIAB Cc1ccc(CN2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)cc1 1018889 ZVCGHCOZWCLRDQ-HNNXBMFYSA-N 346.839 4.282 0 40 EIAB CCOc1ccc2[nH]/c(=N\C(=O)Nc3cccc(Cl)c3)sc2c1 1243535 ZVOZPPCMJAGRAP-UHFFFAOYSA-N 347.827 4.414 0 40 EIAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccccc2c1 2555059 VFRJBGYAMMSYFN-HNNXBMFYSA-N 349.386 4.060 0 40 EIAB Cc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1Cl 4163715 BEXNLKFMGCQZDZ-UHFFFAOYSA-N 326.783 4.260 0 40 EIAB CCCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21 5054443 UFAIPNMRNWHGGY-UHFFFAOYSA-N 339.439 4.466 0 40 EIAB COc1ccc(NC2=NN=C(c3cc4ccccc4o3)CS2)cc1 5637489 XPUGXFZCTOCOPW-UHFFFAOYSA-N 337.404 4.360 0 40 EIAB Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 6319363 BKISQMSQDSBMPR-QMMMGPOBSA-N 331.224 4.164 0 40 EIAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 6461171 IBTJZDARGWPPBR-UHFFFAOYSA-N 331.371 4.201 0 40 EIAB COc1ccccc1-n1cnnc1SCc1cc(C)ccc1C 6534761 SRHUYAJOUWUYGI-UHFFFAOYSA-N 325.437 4.185 0 40 EIAB CCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 6588927 IEVKTKGXMUWBOV-UHFFFAOYSA-N 333.435 4.116 0 40 EIAB Cn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccccc1 7329681 FFESKFAYSSADIJ-UHFFFAOYSA-N 348.431 4.429 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)Cc2ccc(NC(C)=O)cc2)CC1 8389124 QHLDPFZOEXMGLW-UHFFFAOYSA-N 344.499 4.299 0 40 EIAB CCOC(=O)c1sc(NC(=O)[C@@H](CC)c2ccccc2)cc1C 9217062 OFFYOODNHBWXIA-AWEZNQCLSA-N 331.437 4.366 0 40 EIAB COc1ccc(OC)c(Nc2nc(C)nc3c2oc2ccccc23)c1 9411549 JSKYOXFPYNVQHW-UHFFFAOYSA-N 335.363 4.445 0 40 EIAB CN(C)c1ccc(CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 11693640 OVWIOICEZHJOAC-UHFFFAOYSA-N 340.511 4.018 0 40 EIAB Cc1ccccc1-n1nc(C)c(CN(C)[C@@H](C)Cc2ccccn2)c1C 12148180 RZXKASRTKVVAHW-KRWDZBQOSA-N 348.494 4.256 0 40 EIAB Cc1noc(-c2cnc(N3CCC[C@H](C)C3)nc2-c2ccco2)c1C 12186784 HZBSZZWQHDJYTF-LBPRGKRZSA-N 338.411 4.245 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1 12552492 ROENVIUFHMXFSI-IZZDOVSWSA-N 334.375 4.311 0 40 EIAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2nccs2)cc1 16641595 XYJYWAHXJSPYFN-UHFFFAOYSA-N 347.490 4.350 0 40 EIAB CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2)[C@@H]1c1ccccc1 19850386 AYXUZUABTMGOKA-MOPGFXCFSA-N 338.451 4.309 0 40 EIAB Cc1ccc(CNC(=O)CCSCc2c[nH]c3ccccc23)o1 19927747 UZUXNJADYUJOTN-UHFFFAOYSA-N 328.437 4.009 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C1 20042661 GLIXAVBDHRLAQD-CQSZACIVSA-N 344.405 4.449 0 40 EIAB CN(C(=O)COc1ccc(F)cc1Cl)[C@H]1CCCc2ccccc21 20675639 WRQHGRSMTAIMRA-KRWDZBQOSA-N 347.817 4.394 0 40 EIAB COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(C)c1 22072474 FKNNOZIHJUJPOC-UHFFFAOYSA-N 347.418 4.263 0 40 EIAB Cc1ccccc1NC(=O)Cn1c(-c2ccccn2)nc2ccccc21 23144097 JNKQRXOAHFEWFE-UHFFFAOYSA-N 342.402 4.045 0 40 EIAB Cc1nc(NC(=O)c2ccc3c(c2)CCC3)sc1-c1ccccn1 23500517 CFJIWFMJXUHFRR-UHFFFAOYSA-N 335.432 4.255 0 40 EIAB Cc1cccc(OCCC(=O)Nc2ccccc2OC(F)F)c1C 24860779 LZTFJFVKHSBCRY-UHFFFAOYSA-N 335.350 4.312 0 40 EIAB COc1cccc(CN[C@@H](C)c2cc3cccc(OC)c3o2)c1OC 28925822 VFSIIEFYLQQYMX-ZDUSSCGKSA-N 341.407 4.309 0 40 EIAB Cc1cc(C)c(OC(=O)Cc2cc(Cl)cc3c2OCOC3)c(C)c1 29758500 YKMFQOWMIRSJDI-UHFFFAOYSA-N 346.810 4.280 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)NC1CCCCCCC1 31868049 NPMDLTGPRMNXTG-UHFFFAOYSA-N 329.469 4.356 0 40 EIAB CC(C)(C)c1nc2cc(NC(=O)c3c(F)cccc3F)ccc2[nH]1 32466077 BONOUQWTPURQSA-UHFFFAOYSA-N 329.350 4.391 0 40 EIAB CC(=O)Nc1ccc(NCc2cccc(F)c2)c(C(F)(F)F)c1 32770313 VWKBNZAQOKECEY-UHFFFAOYSA-N 326.293 4.415 0 40 EIAB C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F 32811032 INNRAJWQYLEKFU-NSHDSACASA-N 331.778 4.380 0 40 EIAB COc1ccc(-c2cc(CNc3ccc(F)c(F)c3F)on2)cc1 32824005 GCVVKBVCROLQMM-UHFFFAOYSA-N 334.297 4.380 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(F)c(F)c1 40097576 GYZDKCHUQSNFCS-UHFFFAOYSA-N 328.721 4.421 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1[nH]c2ccccc2c1Cl 40143406 OXRIPGRPEMYVOC-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB O=C(NCc1ccccc1F)c1c[nH]cc1-c1ccc(Cl)s1 40156357 VLROBVIMTORJKU-UHFFFAOYSA-N 334.803 4.466 0 40 EIAB C[C@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 42485053 QXHBJDWLAWFQCG-KRWDZBQOSA-N 347.462 4.217 0 40 EIAB Fc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 49170535 GDARKSVQEYQOLM-AWEZNQCLSA-N 341.361 4.004 0 40 EIAB biogenic,in-vitro CSc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 57416191 MDFXDLAKMPIAIZ-UHFFFAOYSA-N 330.840 4.473 0 40 EIAB CCCCN1Cc2cccc(NC(=O)[C@H](C)c3c(C)noc3C)c2C1 66513253 FIRGRVFVZQBJGS-CYBMUJFWSA-N 341.455 4.149 0 40 EIAB O=c1c2sccc2nc(SCCc2ccccc2)n1C1CC1 67259735 OAPYIYCPUUWNGC-UHFFFAOYSA-N 328.462 4.128 0 40 EIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O 68933346 JWJSLKXPQPFMPC-HNNXBMFYSA-N 348.446 4.014 0 40 EIAB Cc1csc(CNc2cccc(CNC(=O)OC(C)(C)C)c2)n1 71701137 MHWKYBVALJDQTR-UHFFFAOYSA-N 333.457 4.088 0 40 EIAB CO[C@@H](CNC(=O)N[C@H](CC(C)C)c1ccccc1)c1ccccc1 71923386 RTKMDGYGUVLYRC-UXHICEINSA-N 340.467 4.461 0 40 EIAB Cc1cc(N2CCc3ccccc3C2)ncc1[C@@H](N)c1ccccc1 72223900 WXPOSGOYNXQWKH-QFIPXVFZSA-N 329.447 4.001 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(O)c(Cl)c2)C1 72405576 QKTJWXLNKPSMRO-GFCCVEGCSA-N 343.770 4.007 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 73341728 DNGRNPSGUOYPMQ-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB CC(C)OCc1cccc(NC(=O)NCc2cc(C(C)C)no2)c1 79350453 FTFSCXIYSLIYPT-UHFFFAOYSA-N 331.416 4.045 0 40 EIAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=S)NCc1cccs1 84718147 ZTDVPVHSOJJAGK-LBPRGKRZSA-N 341.505 4.223 0 40 EIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2cccnc2)CC3)cc1 96047264 XYBSWCDFERPOOP-UHFFFAOYSA-N 349.522 4.268 0 40 EIAB Clc1cccc(-c2noc(CCc3nnc(C4CCCC4)o3)n2)c1 96471661 GZKFLCLUPAVHDB-UHFFFAOYSA-N 344.802 4.216 0 40 EIAB O=C(Cc1ccc(O)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 98080217 PVFHXAJFCNZFKW-NRFANRHFSA-N 331.415 4.035 0 40 EIAB Cc1cc(C)c(N2C(=O)C[C@@H](Nc3cccc(Cl)c3)C2=O)c(C)c1 101275621 AHWOLOVKMHYKJK-MRXNPFEDSA-N 342.826 4.009 0 40 EIAB O=C(NCC[C@H](CCO)c1ccccc1)Nc1ccccc1Cl 206630480 KKKYQESQOPBNEB-OAHLLOKOSA-N 332.831 4.018 0 40 EIAB CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc(OC)cc1 219742779 DDZSRWQMKGWXHP-GOSISDBHSA-N 327.424 4.364 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=S)Nc1ccc(F)cc1 223740502 YEHAWLANSYKWGO-UHFFFAOYSA-N 346.471 4.489 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cccc3ccccc23)c1 223749152 UIODWBCSJKCTEE-UHFFFAOYSA-N 339.460 4.277 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccccc2)c1C 225280919 WPJXZEFOCHOWPQ-CQSZACIVSA-N 342.464 4.219 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 225553765 YSRCAMGLUXLDGD-JKSUJKDBSA-N 341.451 4.463 0 40 EIAB CC(C)CSc1nnc(NC(=O)c2ccccc2Cl)s1 225593263 IBMUMAKDURBMMT-UHFFFAOYSA-N 327.862 4.192 0 40 EIAB COC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCCC1 225888356 RNHBWZXQOPLFIG-UHFFFAOYSA-N 342.439 4.310 0 40 EIAB O=C(O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 388021730 JMWXJVHWIBCGQJ-UHFFFAOYSA-N 325.164 4.077 0 40 EIAB O=C(c1cc(-c2ccccn2)no1)N1CCC[C@H]1/C=C/c1ccccc1 390834388 XUCICBKQUYQQDP-FLVLSHQESA-N 345.402 4.055 0 40 EIAB C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C)c1ccc(Oc2ccccc2)cn1 528005685 LBDAWVQNBQYXJB-YPTDYUDTSA-N 326.440 4.336 0 40 EIAB CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 1180902695 YDPOBPNVFKJQMF-OAHLLOKOSA-N 339.435 4.034 0 40 EIAB COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1Cl 364958 RMMOQXIPNVEPDR-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB Cc1cc(C)c2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc2c1 421622 VWTJRPLEQWARJI-SFHVURJKSA-N 337.810 4.359 0 40 EIAB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1 430700 UBZQXZHXIFWIGO-OVCLIPMQSA-N 348.185 4.347 0 40 EIAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 531641 ROFMIMLLXFSIBS-INIZCTEOSA-N 333.435 4.446 0 40 EIAB CCN(CC)C(=O)C[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1 554339 VIVYUPKFFHUSEU-FPOVZHCZSA-N 331.500 4.326 0 40 EIAB O=S1(=O)C=C(SCc2cccc(Cl)c2)Nc2ccccc21 1406153 YABOHMUULLUAGT-UHFFFAOYSA-N 337.853 4.272 0 40 EIAB CCN(CC)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 4151125 LPJDNHMZVWSQTN-UHFFFAOYSA-N 327.211 4.439 0 40 EIAB Cc1csc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1 5101547 MUQFAYSPHMVKIF-SWLSCSKDSA-N 332.494 4.126 0 40 EIAB CCc1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 5269618 KXERYJQOLBIAFK-UHFFFAOYSA-N 346.430 4.020 0 40 EIAB CCCCN[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 5973606 GQEAVQHYRFJHHD-IBGZPJMESA-N 327.424 4.018 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCC2CCCCC2)c1 5987195 RMPUNTKXKDXXEU-HNNXBMFYSA-N 345.439 4.120 0 40 EIAB CCN(CC)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 6152674 KISLXZWXMKXZHX-UHFFFAOYSA-N 326.440 4.249 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1 6500431 WZOAAOOXJZMYOH-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB CC(C)(C)CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 6509640 DVVFOVQULUGDPD-UHFFFAOYSA-N 343.496 4.076 0 40 EIAB FC(F)(F)c1cnc([C@H](c2ccccc2)c2nc[nH]n2)c(Cl)c1 6530062 HRPDXGVJRGAGTJ-LBPRGKRZSA-N 338.720 4.052 0 40 EIAB Cc1ccsc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7338991 WHFKTYYRDAZCRJ-UHFFFAOYSA-N 334.784 4.117 0 40 EIAB [O-][n+]1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 7507432 UQAQRJNQJGUAPT-UHFFFAOYSA-N 334.853 4.389 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1C1CC1 7886249 NHDQHGNSBOVXKQ-CQSZACIVSA-N 349.253 4.240 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 7980747 COWRQMLHWRACAN-UHFFFAOYSA-N 349.789 4.226 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1C 8041564 IAAAHZLGRHQEBO-ROUUACIJSA-N 325.452 4.208 0 40 EIAB CCOCCCNCc1cccc(OCc2ccc(Cl)cc2)c1 8253195 UHCFVDXEGXSHJO-UHFFFAOYSA-N 333.859 4.435 0 40 EIAB COCc1c(C(=O)OCc2nc3ccccc3o2)oc2ccccc12 8269050 IZFGOELFWKNRML-UHFFFAOYSA-N 337.331 4.077 0 40 EIAB FC(F)n1ccnc1CSc1nnc(Nc2ccccc2)s1 9155327 MARFISOASMJITR-UHFFFAOYSA-N 339.396 4.166 0 40 EIAB Cc1ccc(C)c(CS[C@H](C)C(=O)NCCc2ccccc2)c1 9516623 NXXKLDULRWEGGE-QGZVFWFLSA-N 327.493 4.284 0 40 EIAB CCc1cc2c(Nc3cccc(C(=O)OC)c3)nc(C)nc2s1 9970669 WVQSNEBRGAGZEQ-UHFFFAOYSA-N 327.409 4.092 0 40 EIAB CCOc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 10113682 BPGNBOHBZBYVGC-UHFFFAOYSA-N 338.451 4.006 0 40 EIAB Cc1cccc(-n2nc(CSc3nc4ccccc4o3)cc2O)c1 10157372 XDZUMXVIYOOICZ-UHFFFAOYSA-N 337.404 4.320 0 40 EIAB Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1F 11085188 GNTUZNFMMPXMAV-UHFFFAOYSA-N 335.806 4.377 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2cccnc12 12789018 NJRPEUJBICEPDZ-LBPRGKRZSA-N 326.783 4.294 0 40 EIAB COC(=O)c1sccc1Oc1ccccc1NC(=O)C(C)(C)C 12855717 UZIBXCDUQXXERR-UHFFFAOYSA-N 333.409 4.312 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 12982952 VRFMUFBLOVORKY-HNNXBMFYSA-N 327.424 4.202 0 40 EIAB O=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 13439661 VUMNNUCXVXYNLJ-UHFFFAOYSA-N 331.371 4.233 0 40 EIAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1C 13618602 FBVLQHHQIDUTOS-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB CC(=O)N1CCc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 13696069 LIXWWHUWPQWQJG-UHFFFAOYSA-N 336.435 4.145 0 40 EIAB O=C(c1ccccc1NC(=S)Nc1ccccc1)N1CCCCC1 14001110 VJJNXFOLDYASFT-UHFFFAOYSA-N 339.464 4.122 0 40 EIAB O=C(CNc1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1cccs1 15291904 OGDNOPTVEGEJKV-CQSZACIVSA-N 338.835 4.316 0 40 EIAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccco1 15835408 HFQXSIBSKFWUTG-UHFFFAOYSA-N 342.807 4.420 0 40 EIAB CCCc1cc([C@H]2CCCCCN2Cc2cnn(CC)c2C)no1 19525424 XUTRYRAYLANSDR-LJQANCHMSA-N 330.476 4.269 0 40 EIAB COc1cccc2cc(C(=O)NCCSC3CCCCC3)oc12 19887860 VJMRAANPSNKEDH-UHFFFAOYSA-N 333.453 4.237 0 40 EIAB Cc1sc2nc(-c3ccncc3)[nH]c(=O)c2c1-c1ccc(F)cc1 20369775 GKGARMRAXUDTTF-UHFFFAOYSA-N 337.379 4.161 0 40 EIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)Nc1cccs1 22504203 JABLLWXJPGRDLL-UHFFFAOYSA-N 341.436 4.081 0 40 EIAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 22864605 KKEMOBCWRJYCHZ-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB C[C@H](SCc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 24958286 ZPYMMWUGRMAQQT-ZDUSSCGKSA-N 337.452 4.192 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCc2ccccc21 29483153 GXFMNXUKLWXDFV-QGZVFWFLSA-N 332.806 4.037 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3n[nH]cc32)cc1OCc1ccccc1 31808310 DMUOWKMTYHKRBZ-OAHLLOKOSA-N 349.390 4.121 0 40 EIAB CC(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2C)c1 32359777 IOZDTOVVTGJXOB-UHFFFAOYSA-N 338.432 4.098 0 40 EIAB O=C(NCCNc1nc2ccccc2s1)c1cccc2ccccc12 32828042 GGIYHVHDFUUECO-UHFFFAOYSA-N 347.443 4.291 0 40 EIAB O=C(/C=C/c1ccc(Br)o1)N1CCCc2ccccc21 32975316 XWSBJFFMTCRZAA-CSKARUKUSA-N 332.197 4.035 0 40 EIAB COc1cc2c(cc1OC)[C@@H](c1c(Cl)cccc1Cl)NCC2 35185328 ZLYJHZICCQMVIA-KRWDZBQOSA-N 338.234 4.246 0 40 EIAB COc1ccc2ccccc2c1CNCc1ccc(NC(C)=O)cc1 40040712 VUYSZFQJQAZQPC-UHFFFAOYSA-N 334.419 4.097 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)c1oc2ccccc2c1C 47320773 MEYVEHHBDDCCGC-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB CCCCOC(=O)CSc1nc(-c2ccco2)nc2ccccc12 58481605 CPNWQHIMYBDREQ-UHFFFAOYSA-N 342.420 4.325 0 40 EIAB FC(F)(F)c1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1 60039414 MXLGLWYBRIRLJQ-QGZVFWFLSA-N 339.357 4.480 0 40 EIAB O=C(OCc1ccc2c(c1)OCCO2)c1occc1-c1ccccc1 63239579 DVAXCHJVMXEVOK-UHFFFAOYSA-N 336.343 4.075 0 40 EIAB Cc1ccc2cc(C(=O)N[C@H](c3ccccc3)c3ccccn3)[nH]c2c1 65492150 JMUXZJHDMUWLEU-OAQYLSRUSA-N 341.414 4.391 0 40 EIAB O=C(NCc1cccnc1OC1CCCC1)c1sccc1C1CC1 67163546 XLJJNVINDDFITM-UHFFFAOYSA-N 342.464 4.272 0 40 EIAB COc1ccc([C@@H](C)C(=O)NCC2(Sc3ccccc3)CC2)cc1 68214018 ZGPTTXXREIXJDY-OAHLLOKOSA-N 341.476 4.240 0 40 EIAB Fc1cccc(F)c1CN(Cc1nnc(C2CC2)o1)C1CCCC1 69616802 KPCMARDHDYLIOV-UHFFFAOYSA-N 333.382 4.170 0 40 EIAB Cc1cnn(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c1 71185821 RQVDLPLKWXZWIK-INIZCTEOSA-N 334.423 4.003 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccccc1OC(F)(F)F 71281070 MIGBHVCOEMZACF-NSHDSACASA-N 339.317 4.486 0 40 EIAB C[C@@H]1CCCN(c2nc(-c3ccc4c(c3)OCCCO4)cs2)C1 84697594 RRKGXWQDSJVXPW-CYBMUJFWSA-N 330.453 4.208 0 40 EIAB CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCSc2ccc(Cl)cc21 95423699 CLJPYLSYYQAALQ-UONOGXRCSA-N 348.903 4.156 0 40 EIAB CC(C)[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 96478019 CQMSTLFMGHXWRX-KKSFZXQISA-N 337.467 4.256 0 40 EIAB O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100922532 XCRBMTDUYFRNSW-HECBCWNYSA-N 333.453 4.228 0 40 EIAB COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 102298026 IDNGCYIMAWTMQX-FMCLSXCISA-N 347.480 4.034 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 107490208 RWJMHIAFKAHNLJ-NXOAAHMSSA-N 338.451 4.360 0 40 EIAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)c(Cl)c1 191224187 CHFRDPWFYHHKFH-UHFFFAOYSA-N 343.854 4.127 0 40 EIAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2Br)o1 216923496 WUFKXQXYTRIHEX-UHFFFAOYSA-N 329.577 4.380 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccccc2C)cc1C 222970044 XVLPPLBHAZILDG-UHFFFAOYSA-N 343.492 4.365 0 40 EIAB CCc1ccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 223412561 VYFFKGABHUGZSQ-MRXNPFEDSA-N 343.492 4.066 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(F)cc1 224128462 OKDDNHFKRDUDTN-HNNXBMFYSA-N 343.442 4.249 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 225389375 BZVMYKOHSCXHPO-INIZCTEOSA-N 341.904 4.289 0 40 EIAB COc1cc(C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 226325362 YQQNCVCKMZCBMX-UHFFFAOYSA-N 341.794 4.180 0 40 EIAB O=C1/C(=C\c2cccs2)NC(c2ccccc2)=NN1c1ccccc1 226761161 QINQOAFTHWFTFS-NBVRZTHBSA-N 345.427 4.087 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257323171 WJADWYCBAWEFQR-ZDUNFWRLSA-N 337.410 4.126 0 40 EIAB Cc1ccc(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 314238533 HXTLACGTLBHOFT-UHFFFAOYSA-N 335.812 4.077 0 40 EIAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3C)n2C)cc1 409197922 RZTMLOTYFACIRZ-MRCUWXFGSA-N 336.460 4.420 0 40 EIAB Fc1cccc([C@H]2CCN(Cc3cnc(-c4ccncc4)s3)C2)c1 513479861 SIEIZUXKXSKAAZ-INIZCTEOSA-N 339.439 4.334 0 40 EIAB CCOc1ncccc1-c1noc(-c2cc(C)nc3ccccc23)n1 545666685 MOOISNHPRNTBBT-UHFFFAOYSA-N 332.363 4.054 0 40 EIAB C[C@H](CN[C@@H](CCC(F)(F)F)c1cccnc1)c1nccs1 1615571833 PLMJJJHVWODZFK-YPMHNXCESA-N 329.391 4.315 0 40 EIAB CCOC1CC(CC(=O)Nc2cccc([C@H](F)C(F)(F)F)c2)C1 1615620882 KLWJAWIASHRCIS-KHXKVGHRSA-N 333.325 4.403 0 40 EIAB CCOc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776001551 ZPFMGSCNPAIXMW-OALUTQOASA-N 325.452 4.262 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Br)cc1 36015 UIMLAYKAXPKOCH-UHFFFAOYSA-N 338.632 4.075 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 248371 GYODVXDTERASEQ-IBGZPJMESA-N 344.499 4.353 0 40 EIAB O=C1/C(=C/c2ccco2)N=C(Oc2ccccc2)N1c1ccccc1 382944 PBJVIXZEHLNUIK-JXAWBTAJSA-N 330.343 4.102 0 40 EIAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)C1CCCC1 420014 LTUQTISVISEVSN-UHFFFAOYSA-N 347.414 4.378 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)C(C)(C)C)cc2c1 522395 WSGXOMDZHNIADT-UHFFFAOYSA-N 348.446 4.277 0 40 EIAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)CC(C)(C)C)c(C)s1 1355497 LFACCHNZXFAJTL-UHFFFAOYSA-N 343.496 4.486 0 40 EIAB CC(C)N1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 1460344 GNZAGVVNUOIQBZ-UXHICEINSA-N 342.527 4.077 0 40 EIAB COc1cc(/C=C(\C)c2ccc3c(c2)OCO3)cc(OC)c1OC 1630897 FLGKKJLARNSJNB-KPKJPENVSA-N 328.364 4.002 0 40 EIAB O=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1 2501571 YBUUIBNBZXTVJK-UHFFFAOYSA-N 331.324 4.098 0 40 EIAB COc1ccc(C(=O)Cc2ccccc2OC(=O)c2ccccc2)cc1 3190055 PVMFMOATXRYDNJ-UHFFFAOYSA-N 346.382 4.340 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1C 4119855 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COc1ccc2cc(CNC(=O)COc3cccc(C)c3C)ccc2c1 11122459 NVNBPMBRJTZRMS-UHFFFAOYSA-N 349.430 4.160 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)nc1 12526943 ROUWVADBQZLSFR-UHFFFAOYSA-N 334.350 4.012 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13676661 HQTBPCJZLYSMQV-INIZCTEOSA-N 345.508 4.473 0 40 EIAB COc1ccccc1NC1=NN=C(c2ccc(C)c(C)c2)CS1 15405249 LLSJMXFSWYHGSS-UHFFFAOYSA-N 325.437 4.231 0 40 EIAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccc(Cl)c1 16200060 CMCCYYGVHYVGKU-UHFFFAOYSA-N 341.798 4.351 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 16638775 FQIYGUNDZHTAEI-UHFFFAOYSA-N 331.799 4.485 0 40 EIAB Cc1cccnc1-c1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1 19237880 RAHBJAVFLOEKQL-UHFFFAOYSA-N 336.782 4.126 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccs1 20139465 MFOGJTSXNBERFE-UHFFFAOYSA-N 333.796 4.406 0 40 EIAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20141890 RKFWGVIKMGWCTQ-LLVKDONJSA-N 347.798 4.468 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccccc1 20457548 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EIAB COc1ccc(S[C@H](C)C(=O)NCCC2=CCCCC2)cc1OC 38756245 ILSMPTCRJZKTLQ-CQSZACIVSA-N 349.496 4.191 0 40 EIAB O=C(Cc1cn2ccccc2n1)N(Cc1ccccc1)c1ccccc1 41284552 NGYMAQKDKBBBTF-UHFFFAOYSA-N 341.414 4.110 0 40 EIAB Cc1[nH]c(S[C@H](C)c2nc(C3CC3)no2)nc1Cc1ccccc1 53269134 HWGJGPFKNKAWJE-GFCCVEGCSA-N 340.452 4.423 0 40 EIAB Cc1cccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 57413465 NTLZSSSRZBGCJT-UHFFFAOYSA-N 339.826 4.011 0 40 EIAB Cc1nc(S[C@H](C)c2cccc3ccccc23)sc1CC(N)=O 58159994 KARKZVVTOPWETK-GFCCVEGCSA-N 342.489 4.486 0 40 EIAB COc1ccc(CCNC(=O)N(C)C2CCCCCCC2)c(OC)c1 58162111 CDPDHPVMOIVUEG-UHFFFAOYSA-N 348.487 4.001 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc23)c1 58218350 BLGRQINMYLHBOA-WBMJQRKESA-N 333.391 4.015 0 40 EIAB CCCN(C)c1ccc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 58258266 IQSVTRACHKJBFQ-UHFFFAOYSA-N 328.460 4.179 0 40 EIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H]1CC=CCC1 58439867 XJOVSAPNNAAJFQ-SNVBAGLBSA-N 348.657 4.498 0 40 EIAB CC(C)CCc1nc(CN2CCC(N3CCCCC3)CC2)cs1 65041113 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COc1ccc(-c2nc(C)c([C@@H](C)NCc3ncc(C)o3)s2)cc1 96014108 OIQXPVWNNQDJEX-GFCCVEGCSA-N 343.452 4.274 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1cccc2c1ccn2CCC(C)C 96118258 JIUBTNFBSDFPNU-UHFFFAOYSA-N 339.439 4.473 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@@H](c1ncccc1C)C(C)C 96406973 GTVKFVHWJNXNNC-GOSISDBHSA-N 341.455 4.445 0 40 EIAB C[C@H](NC[C@]1(CCO)CCOC1)c1cc2c(ccc3ccccc32)o1 97034658 DUHKCAMTTOUQPZ-BTYIYWSLSA-N 339.435 4.026 0 40 EIAB O=C(Nc1ccccc1-c1cn[nH]c1)N1CC[C@H](Cc2ccccc2)C1 97162319 IBHWTAYEWJFGBW-QGZVFWFLSA-N 346.434 4.173 0 40 EIAB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 102605289 UCKUUTXBBIIZEL-IFXJQAMLSA-N 346.390 4.245 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc3ccccc3o2)C1 103077111 IXAKJWOCSHFBQV-ORAYPTAESA-N 344.480 4.347 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1CCCc2ccccc21 113960452 KTKDAFUORGZEMU-ROUUACIJSA-N 339.435 4.046 0 40 EIAB Cc1cccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225132904 LRLYBODJQRFXOD-UHFFFAOYSA-N 326.421 4.205 0 40 EIAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C 225595405 ZRNXVBAXZDACIA-LLVKDONJSA-N 328.250 4.284 0 40 EIAB CC(C)n1cccc1CN(C)C(=O)c1ccc2oc(Cl)nc2c1 225984239 IBLAIQPTSOFYCB-UHFFFAOYSA-N 331.803 4.136 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3cnc4ccccc4c3)CC2)no1 257242806 IEEYEPZYJWCIOQ-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB Cc1cc(Nc2ncccn2)cc(C2CCN(CC(C)(C)C)CC2)n1 257296415 RCTAPQJCZKSKBS-UHFFFAOYSA-N 339.487 4.149 0 40 EIAB CC(C)CN(C(=O)c1cnn(C(C)C)c1)[C@H]1CCCc2cccnc21 329881290 OHZDRJPOQADNCF-SFHVURJKSA-N 340.471 4.035 0 40 EIAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1O 409122539 ZHDLBSKOJIHXCZ-BOPFTXTBSA-N 337.419 4.334 0 40 EIAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 409210384 KTOOQDONFRUIPX-VBKFSLOCSA-N 349.452 4.320 0 40 EIAB CC(C)[C@@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C(C)C 504427453 XJTMSGJWKADACX-GOSISDBHSA-N 336.439 4.139 0 40 EIAB CC1(C)CCN(C(=O)c2ncccc2OCC(F)F)c2ccccc21 585084099 GAGRNIPPCJJQAL-UHFFFAOYSA-N 346.377 4.054 0 40 EIAB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 177060 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5444018 RUCUAIVMEQZLDQ-BUBBNXEVSA-N 343.467 4.039 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 6323509 ZJCJYJQXMQTUFG-UHFFFAOYSA-N 337.375 4.224 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1ccccc1SCC 6439391 NGQABMHJHQLQEJ-UHFFFAOYSA-N 329.421 4.228 0 40 EIAB Cc1ccccc1CSCC(=O)Nc1ccc(N2CCCC2)cc1 7207591 YRTKWFLYFMANKD-UHFFFAOYSA-N 340.492 4.467 0 40 EIAB CC(=O)c1sc(NC(=O)c2cccs2)nc1-c1ccccc1 7799983 HLAISZWOKGVJPI-UHFFFAOYSA-N 328.418 4.327 0 40 EIAB Clc1cccc(Cl)c1CSc1nnc(C2CCNCC2)o1 7952236 YNKKJUZBAWMQJT-UHFFFAOYSA-N 344.267 4.136 0 40 EIAB Fc1ccc(-c2cc3ncnc(NC[C@@H]4CCCO4)c3s2)cc1 8039377 PGXZCIJZSWVXAX-ZDUSSCGKSA-N 329.400 4.088 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1C 8041565 IAAAHZLGRHQEBO-ZWKOTPCHSA-N 325.452 4.208 0 40 EIAB C[C@H]1C[C@@H](C)CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 10035744 DPOALMCWVPDCFQ-TXEJJXNPSA-N 339.361 4.233 0 40 EIAB C[C@H]1C[C@H](C)CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 10035746 DPOALMCWVPDCFQ-RYUDHWBXSA-N 339.361 4.233 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 11916792 METKEPJZSOFLRE-UHFFFAOYSA-N 340.354 4.440 0 40 EIAB Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12556273 MTPFCHKTBRIRMQ-UHFFFAOYSA-N 327.384 4.235 0 40 EIAB CC(C)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 12855602 FCXBNZCWHHWNAV-UHFFFAOYSA-N 336.435 4.185 0 40 EIAB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2N1 12862580 DNIRSQSMLBPVDM-ZDUSSCGKSA-N 335.190 4.058 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)on1 12892527 TWBYSLIHBQXQEK-UHFFFAOYSA-N 347.436 4.047 0 40 EIAB C[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1Cl 12926664 WIVJBYVXXYHBGN-OLZOCXBDSA-N 348.899 4.198 0 40 EIAB O=C(c1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12972140 BORPOYYEPPUKJP-ZDUSSCGKSA-N 340.423 4.455 0 40 EIAB Fc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1 13207938 SGUFJSRPDLQVAV-UHFFFAOYSA-N 328.774 4.379 0 40 EIAB O=C(CCn1ccc2ccc(F)cc21)Nc1cccc2ncccc12 13720398 CEWUCYPOMLAGRP-UHFFFAOYSA-N 333.366 4.357 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)c(OC)c1 13820328 FYEMBHFRTAYNCF-AWEZNQCLSA-N 344.480 4.012 0 40 EIAB Cc1nn(-c2nc3ccccc3o2)c(O)c1Cc1ccc(Cl)cc1 14607870 JDAFNJSPXIMPLV-UHFFFAOYSA-N 339.782 4.272 0 40 EIAB Cc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 17334892 ABMXSRXVKKWHJG-UHFFFAOYSA-N 338.388 4.100 0 40 EIAB CC(C)c1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 19453180 ZGDBXAOBXGOUQP-IBGZPJMESA-N 348.450 4.245 0 40 EIAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1 20610561 RUIWQQHWBSKREB-UHFFFAOYSA-N 346.390 4.389 0 40 EIAB O=C(/C=C/c1cccc(Br)c1)Nc1nc(C2CC2)cs1 26049868 GBBJSNDKXCUIOF-QPJJXVBHSA-N 349.253 4.435 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1 27740220 SATQFJCISSIVCJ-HNNXBMFYSA-N 336.391 4.364 0 40 EIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)Nc1cccc(F)c1 28220189 VTJPMPZREDOPRW-UHFFFAOYSA-N 330.750 4.309 0 40 EIAB Cc1ccccc1C(=O)NCc1cccc(COCc2ccco2)c1 36396380 WUUSGMGNRIDFGS-UHFFFAOYSA-N 335.403 4.235 0 40 EIAB O=S(=O)(NC1CCCCCC1)c1ccc(Oc2ccccc2)cc1 38771871 CIEIEHSOQWRMNI-UHFFFAOYSA-N 345.464 4.480 0 40 EIAB Clc1ccc(OCCCOc2nnc(-c3ccccc3)o2)cc1 59928907 FBSJGHLRGZCZKG-UHFFFAOYSA-N 330.771 4.238 0 40 EIAB COc1ccccc1CN(C)C(=O)COc1cc(C)c(Cl)c(C)c1 60807239 WRGBMOBUDFHAGG-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB O=C(CCc1ccccn1)Nc1ccc(Br)cc1Cl 62864511 QIXPGUBZUTYRFQ-UHFFFAOYSA-N 339.620 4.069 0 40 EIAB CCOc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cn2)cc1 65567948 UGMLBGUYTWSDPK-UHFFFAOYSA-N 348.402 4.165 0 40 EIAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](C(F)(F)F)C1 69531380 RJGSPUDTZAGGEW-LBPRGKRZSA-N 338.329 4.065 0 40 EIAB Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1 69843826 VDTFYUJHQQPXEE-UHFFFAOYSA-N 329.762 4.132 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)S[C@@H]1CCCc2ccccc21 69896561 YHJVPRVWUBKUPG-RHSMWYFYSA-N 343.496 4.175 0 40 EIAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2ccc(O)c(Cl)c2)C1 71282290 WIGJVKGDSPOEED-LBPRGKRZSA-N 331.803 4.481 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1F 71325910 WUJYRNNZRGAHAI-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB CCc1ccc(CN(Cc2nc(Cc3ccccc3)no2)C2CC2)cc1 71951845 JTGXUUONOGFJBX-UHFFFAOYSA-N 347.462 4.387 0 40 EIAB O=S(=O)(CCc1ccccc1)Oc1ccccc1-c1ccccc1 71988752 NFHFFWHKALQJHJ-UHFFFAOYSA-N 338.428 4.305 0 40 EIAB COc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1SC(F)(F)F 72304870 BKZOBNBDPCOUOU-LLVKDONJSA-N 349.418 4.306 0 40 EIAB COc1cc(F)c([C@@H](C)NC(=O)Nc2c(C)cccc2C)cc1OC 75612608 HFCJSGBGLCVPBV-CYBMUJFWSA-N 346.402 4.342 0 40 EIAB C[C@H](c1ccco1)N(C)C(=O)c1ccc(N(C)c2ccccc2)nc1 78832367 CDZAQFCYXZJFTC-OAHLLOKOSA-N 335.407 4.276 0 40 EIAB C[C@@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@H]1c1cccs1 83888731 XNCGDRCCWPSQQK-ZBFHGGJFSA-N 347.480 4.234 0 40 EIAB c1cc(NCc2nc(-c3ccco3)no2)cc(OC2CCCC2)c1 84374546 QCGOHDCBNVJEKH-UHFFFAOYSA-N 325.368 4.263 0 40 EIAB CCO[C@H](C)c1noc(CN(C)Cc2cccc(Cl)c2Cl)n1 89984983 PFOMYVGQXNAUSL-SNVBAGLBSA-N 344.242 4.106 0 40 EIAB Cc1n[nH]c(S[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1 95409285 MNPOUVCYYRPGDC-HNNXBMFYSA-N 349.419 4.045 0 40 EIAB C[C@@H](Nc1ccc2nnc(C(F)F)n2n1)c1csc2ccccc12 95426262 UBUJHHNLSOYYNT-SECBINFHSA-N 345.378 4.450 0 40 EIAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)Nc1cccnc1Cl 95943947 BHSDVTPMJIVICV-UHFFFAOYSA-N 332.574 4.391 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCC4)[C@@H]3C2=O)c1 100060584 FTDFAQZXFNEJEE-YKCBXCCJSA-N 333.431 4.095 0 40 EIAB Fc1cc(Br)ccc1NC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2 102386073 IXWVPOWWXUNOCG-KKFJDGPESA-N 343.265 4.063 0 40 EIAB O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(Cl)c1CO 116941606 UBCCFGGONNZNJK-UHFFFAOYSA-N 343.785 4.153 0 40 EIAB CCc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1 218953430 OBMZGHCEYKRRLF-UHFFFAOYSA-N 349.883 4.190 0 40 EIAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 223166059 BKIOBOUMBIGDKU-IBGZPJMESA-N 341.451 4.212 0 40 EIAB CC(C)Sc1nnc(NC(=O)Cc2ccc(Cl)cc2F)s1 224901894 AATFCSALPNAATF-UHFFFAOYSA-N 345.852 4.012 0 40 EIAB COC(=O)c1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225661893 VBDJPHCALIMYRQ-UHFFFAOYSA-N 341.407 4.166 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 225795589 PRWYIIAGNOAOJU-UHFFFAOYSA-N 335.382 4.460 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(C)CCCCC2)c1 225862145 VZXIRDWGNMLLIM-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(Cc3ccccc3)oc12 226271266 HPMQRCKXXYWPNB-UHFFFAOYSA-N 334.297 4.228 0 40 EIAB CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CCC(N(C)C)CC1 512146359 PHYMCHSROWDFGK-NCYVPVAZSA-N 334.548 4.172 0 40 EIAB O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)OCO3 94857 SVKWAXJFZOFQQH-SECBINFHSA-N 336.174 4.196 0 40 EIAB CCCc1nc2ccccc2n1C[C@H](O)COc1c(C)cccc1C 242851 RSSIQJZZTLNSHR-KRWDZBQOSA-N 338.451 4.046 0 40 EIAB O=c1cc(-c2ccc3c(c2)OCCCO3)oc2ccc(Cl)cc12 487991 HPFNJERBSINLPY-UHFFFAOYSA-N 328.751 4.275 0 40 EIAB biogenic CC(C)[C@H](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCOC(C)(C)C1 490394 MRENQJGAOWEDBH-CVEARBPZSA-N 343.467 4.150 0 40 EIAB CC1CCN(c2ncnc3c2[nH]c2ccc(Br)cc23)CC1 510305 DTKAMFRQEHABEN-UHFFFAOYSA-N 345.244 4.110 0 40 EIAB Fc1ccccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 522541 LWVDUTWNDNYHAP-UHFFFAOYSA-N 330.322 4.368 0 40 EIAB Cc1cccc(Cn2c(-c3ccc[nH]c3=O)nc3cc(C)c(C)cc32)c1 1401773 YWTGVYDWTWIQGX-UHFFFAOYSA-N 343.430 4.365 0 40 EIAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C)cc3C)C2=O)cc1 3079896 VPBMVIUHUWORQO-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC2 3469396 IJIFWDHRMMMQCH-UHFFFAOYSA-N 336.218 4.500 0 40 EIAB CCCCSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 3883010 SVBQRMIOTWOYTL-UHFFFAOYSA-N 343.493 4.199 0 40 EIAB O=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)cc1 4120070 FFLHXEJRSTWEPN-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccco3)sc2c1 4273152 NWRUAZJDUMIXHH-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB Cc1cccc(-c2nc(CCNC(=O)c3ccc(F)cc3)cs2)c1 4570812 XMSNQQIHHGXNBI-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCCCN(CCCC)C[C@@H](O)c1ccc(Br)cc1 5973439 DZPCODSIDDFTAM-MRXNPFEDSA-N 328.294 4.385 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1cc(C)ccc1F 6308403 XYKILCVXWMQAIH-UHFFFAOYSA-N 331.387 4.331 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)ccc1C 7068886 OFSNVIVOOBXXNR-HXUWFJFHSA-N 334.419 4.206 0 40 EIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 7195177 YSSPZXBFJGELGE-NSHDSACASA-N 344.392 4.010 0 40 EIAB O=C(COc1cccc2cccnc12)N1CCC[C@@H]1c1cccs1 8157371 HYJPFOOGANXJOA-OAHLLOKOSA-N 338.432 4.039 0 40 EIAB COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1F 8347784 ITAWIYSONLORIZ-NSHDSACASA-N 344.411 4.277 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCCC2)cc1C 8492625 LKNLWPZLUIUKCZ-MRXNPFEDSA-N 335.513 4.253 0 40 EIAB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1ccsc1 11283994 AVKKAMSDBRIAAN-BQYQJAHWSA-N 325.389 4.468 0 40 EIAB Cc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)n1 11640211 MJSWEYKCMDPVSR-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB S=C(NCCc1ccccn1)Nc1ccc(Oc2ccccc2)cc1 12547032 HRVZDLRXMHXETD-UHFFFAOYSA-N 349.459 4.403 0 40 EIAB O=C(COc1c(Cl)cccc1Cl)Nc1cccnc1Cl 13010785 ZGLBNUSNWNRROZ-UHFFFAOYSA-N 331.586 4.059 0 40 EIAB C[C@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2ccccc2)o1 14086339 WSPLWCKNWLBPSI-ZDUSSCGKSA-N 349.419 4.171 0 40 EIAB ClC1(Cl)C[C@@H]1CSc1nc(NC2CC2)c2ccccc2n1 14854453 SNUUNOIIBYJYLY-SECBINFHSA-N 340.279 4.490 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1ccc2nsnc2c1 15841316 RSSJZUZSVQGVIS-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB C[C@]12C/C(=C\O)C(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 15894336 ICMWWNHDUZJFDW-GNXQTJHESA-N 332.484 4.401 0 40 EIAB CCOC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(O)cc3)n2)c1C 16940660 RLXYJJGVSUOYGZ-UHFFFAOYSA-N 342.420 4.304 0 40 EIAB CCOC(=O)Cn1nc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1 17070482 STCYDNKSAGTVEP-UHFFFAOYSA-N 334.419 4.397 0 40 EIAB Cc1ccc(-n2ncc3c(N(C)Cc4ccccc4)ncnc32)cc1C 17120338 BUDLMAXDSTXXFZ-UHFFFAOYSA-N 343.434 4.069 0 40 EIAB c1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 19371883 IJLRBKRPASUTMM-UHFFFAOYSA-N 325.437 4.178 0 40 EIAB Cc1cc(C)cc(-c2nn3c(Cc4ccccc4F)nnc3s2)c1 19909997 GLMSMNZSKQSPIV-UHFFFAOYSA-N 338.411 4.200 0 40 EIAB Cc1sc2c(c1C)CN(CCC(C)C)CN2C(=O)c1ccco1 20192535 QPZHVUOORLNTQW-UHFFFAOYSA-N 332.469 4.424 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)c(Cl)c1 20456577 HMVVLTNOGXMPSG-INIZCTEOSA-N 337.778 4.284 0 40 EIAB COc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 22511714 PJBUDIZPGCFMIX-INIZCTEOSA-N 338.451 4.179 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(F)cc1 22533863 XTDPKBXYDIMMHS-QGZVFWFLSA-N 349.833 4.386 0 40 EIAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1F 23878111 UYJWALUIGVFDQP-SECBINFHSA-N 327.277 4.057 0 40 EIAB O=C(CCc1cccnc1)N1CCc2sccc2[C@@H]1c1ccccc1 25899819 ZLQHHHKKVDIPAP-NRFANRHFSA-N 348.471 4.250 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1 28292230 QKHVBMIXBBISLI-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1OC 32115156 ABYPNTOYULOYBN-UHFFFAOYSA-N 326.396 4.076 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)C1(C)C 32282648 COQILXKXMUTOMO-GMBSWORKSA-N 343.467 4.264 0 40 EIAB Cc1ccccc1N1C(=O)/C(=C/c2cccn2C)c2ccccc2C1=O 33527962 RDZKBIPKUFGANH-XMHGGMMESA-N 342.398 4.061 0 40 EIAB O=C(NCCC1=CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1 35481165 YBJFKABKDBNJMA-UHFFFAOYSA-N 329.831 4.146 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2 35671495 MOCPNTHHUAWKCH-UHFFFAOYSA-N 339.420 4.238 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccsc2)cc1 36360464 MIOCUYQLEPGQCC-CQSZACIVSA-N 325.393 4.066 0 40 EIAB Cc1cccc(C(=O)NCc2cccc(COCc3ccco3)c2)c1 36394245 SZBZMYYLGPBNAP-UHFFFAOYSA-N 335.403 4.235 0 40 EIAB c1coc(CN(Cc2noc(-c3ccsc3)n2)Cc2ccco2)c1 36396140 CEQPJNVTBBKXGH-UHFFFAOYSA-N 341.392 4.187 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccccc1F 36619724 HMIFMOXXMLUTAI-INIZCTEOSA-N 339.819 4.005 0 40 EIAB O=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1ccccc1 36621779 YWMZLWZLWFOPGK-UHFFFAOYSA-N 346.455 4.408 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1ccccc1 39428377 CMTFGZGNMSOJAS-GOSISDBHSA-N 331.843 4.464 0 40 EIAB O=C(Nc1ccc(-c2nnco2)cc1)c1csc(-c2ccccc2)n1 44575544 JUUVOKFMWGHCSJ-UHFFFAOYSA-N 348.387 4.112 0 40 EIAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N(Cc1ccco1)C1CC1 46456457 QIHWWRFCYINRSS-UHFFFAOYSA-N 341.798 4.128 0 40 EIAB O=C(O)c1cnc(-c2ccc(Cl)cc2)nc1Nc1ccccc1 49469649 DZBXJNFQRVJESR-UHFFFAOYSA-N 325.755 4.239 0 40 EIAB CCOc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 51354330 BCLLMDVJIJSUQK-UHFFFAOYSA-N 335.201 4.492 0 40 EIAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 53158520 RZAVOHZPHRRAJV-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB CCC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 61768576 GPMURHXOTGLGHD-MRXNPFEDSA-N 345.487 4.131 0 40 EIAB COCCN(CCOc1cc(C)cc(C)c1)Cc1ccc(Cl)cc1 61894925 QTBFOZSBQFIGBN-UHFFFAOYSA-N 347.886 4.484 0 40 EIAB Cc1cccc(-c2noc(Cc3nnc(-c4cc(C)cc(C)c4)o3)n2)c1 65185464 GEGXMWTVWJDUJE-UHFFFAOYSA-N 346.390 4.303 0 40 EIAB C[C@H](c1nc(C2CC2)no1)N1CCC(c2cc3ccccc3[nH]2)CC1 71841198 APCTXLSRBMIFMU-CYBMUJFWSA-N 336.439 4.369 0 40 EIAB CCc1nnc([C@@H](C)Sc2nnc(NC3CCCCC3)s2)o1 71893895 DYKJGLKUKCCHGL-SECBINFHSA-N 339.490 4.081 0 40 EIAB c1ccc(Cc2cccc(C3CCN(Cc4ccccn4)CC3)n2)cc1 72348935 VECIRQQOIOOVLR-UHFFFAOYSA-N 343.474 4.447 0 40 EIAB O=C(Nc1nc(-c2ccccc2)ns1)c1c(F)cccc1Cl 77649378 UBZSFQSFYVNDKA-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 78458620 OISAKOYCRXOBGT-LIRRHRJNSA-N 329.415 4.423 0 40 EIAB CCc1ccc(O)c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1 83820598 MEPRZRJWPNAIHY-UHFFFAOYSA-N 341.426 4.189 0 40 EIAB Cc1noc(C)c1CSCC(=O)O[C@@H](C(C)(C)C)C(F)(F)F 89532406 ZTGWFUXHUIXSEU-LBPRGKRZSA-N 339.379 4.045 0 40 EIAB Fc1c(F)c(OC(F)(F)Cl)c(F)c(F)c1Br 95215609 KMMVDKNLVSFSBB-UHFFFAOYSA-N 329.421 4.173 0 40 EIAB O=C(O)c1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccs1 96156878 UQXOBTJSCTXXFG-UHFFFAOYSA-N 341.432 4.309 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC(c2nc3ccccc3s2)CC1 102871451 RRGUJVBOCOBIBV-BPUTZDHNSA-N 338.476 4.215 0 40 EIAB CCN(C(=O)c1ccc(C2SCCS2)cc1)c1ccncc1 117664528 ZRGUQVHSIZJMDI-UHFFFAOYSA-N 330.478 4.227 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3OC)N21 222641519 ZDYPNXGLYOKFAH-DOPJRALCSA-N 339.464 4.070 0 40 EIAB O=C(Cc1ccccc1Cl)NCCOc1cccc2ccccc12 223577627 QYHPCUAXYZTANX-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB CCc1cc(S(=O)(=O)Nc2c(CC)cccc2CC)ccc1OC 223682976 FMKLGFRBNDRUJC-UHFFFAOYSA-N 347.480 4.183 0 40 EIAB Cc1ccccc1CSCCNC(=O)c1ccc(Cl)cc1F 225527566 CJOQFJHAGOPUGV-UHFFFAOYSA-N 337.847 4.451 0 40 EIAB CCS[C@H]1CCCC[C@@H]1NCc1nnc(-c2cc(C)oc2C)o1 225549322 BAXFOZYYYZSFLH-GJZGRUSLSA-N 335.473 4.100 0 40 EIAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccccc1C(F)(F)F 225655023 BPUMBGUHBRYXNB-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB O[C@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1F)CN2Cc1ccccc1 247854351 IRZZQHFNRRRFMO-FKVLARQCSA-N 339.454 4.345 0 40 EIAB Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)n1 331395494 BZYAEAQWEZIING-MZMPZRCHSA-N 343.471 4.352 0 40 EIAB Cc1cc(C2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 538649879 MCRABMMZOKGXIM-UHFFFAOYSA-N 341.499 4.031 0 40 EIAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)n1 1888879214 OLUALOREPHEUFT-UHFFFAOYSA-N 339.292 4.073 0 40 EIAB O=S(=O)(Nc1ccc2ccccc2c1)c1cccc2cccnc12 251159 OXBCZZJKBQWHRB-UHFFFAOYSA-N 334.400 4.189 0 40 EIAB COc1cccc(C2=N/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)O2)c1 430019 UXWCOQXOVAKPIH-LDADJPATSA-N 335.403 4.337 0 40 EIAB O=C(COc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 581614 ZZKMHDMKLXACHY-UHFFFAOYSA-N 343.854 4.200 0 40 EIAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 2648668 NUSREWOQUNDSJD-QMMMGPOBSA-N 330.837 4.363 0 40 EIAB Cc1sc(NC(=O)c2c(Cl)cccc2Cl)c(C(N)=O)c1C 2746823 TYTHRRGXHYQGRR-UHFFFAOYSA-N 343.235 4.023 0 40 EIAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C)C 2889603 USJDPOLYDWPAEG-UHFFFAOYSA-N 337.828 4.450 0 40 EIAB Cc1cc(C)n(-c2ccc(Cc3ccc(Cl)cc3Cl)nn2)n1 3133421 WCUPGLQRSUOPBY-UHFFFAOYSA-N 333.222 4.177 0 40 EIAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccccc1 3264432 PKLFZHJWUTZZRT-UHFFFAOYSA-N 336.412 4.358 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)c3ccccc23)C1 3324183 PIUGNCLPOQUACE-ZIAGYGMSSA-N 331.843 4.377 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nncn1-c1ccccc1 3543869 IBWFAPBWUMSTCP-UHFFFAOYSA-N 348.431 4.032 0 40 EIAB CC1(C)O[C@@]2(C)CC[C@@H]1C(=O)OC2(c1ccccc1)c1ccccc1 3845826 HVDYOZGDLMDFIE-NQIIRXRSSA-N 336.431 4.451 0 40 EIAB O=c1oc(/C=C/c2ccccc2)nc2ccc(Br)cc12 3899394 FSHOMKHJBFDOMW-RMKNXTFCSA-N 328.165 4.121 0 40 EIAB CC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1 4070023 OBVPYRYYPRREEI-UHFFFAOYSA-N 340.379 4.404 0 40 EIAB O=C(COc1ccc2ccccc2c1)NC12CC3CC(CC(C3)C1)C2 4174346 HUPCYIXCIGDBEI-UHFFFAOYSA-N 335.447 4.304 0 40 EIAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2ncsc2c1 4264232 URVQYXKFLVGZPS-UHFFFAOYSA-N 347.371 4.437 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(Cl)c2Cl)c1 5610246 XWOCZZAKORLHQF-UHFFFAOYSA-N 338.190 4.341 0 40 EIAB CC(=O)Nc1ccc(SCc2cc(Cl)cc3c2OCOC3)cc1 7027960 CXQAAQGBTGAMGH-UHFFFAOYSA-N 349.839 4.457 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)ccc1OC 7610133 NGQXYWSWCRRJFD-DHZHZOJOSA-N 325.408 4.363 0 40 EIAB Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(Cl)c1 7757030 CUTMMXFBRHLVHW-UHFFFAOYSA-N 346.833 4.391 0 40 EIAB Cn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccco1 7765946 PQCTVENAYSPRBQ-UHFFFAOYSA-N 344.421 4.084 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccccc2)no1 8612356 XNLAFQAUZSJWLR-INIZCTEOSA-N 340.354 4.277 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccccc1)c1cccs1 9494395 SNNFOLUMAVMYIV-IBGZPJMESA-N 340.448 4.191 0 40 EIAB Cc1ccccc1CN(C)CC(=O)N[C@@H](c1cccs1)C(C)C 11204210 YAYQCYFAJQWZCH-LJQANCHMSA-N 330.497 4.002 0 40 EIAB C[C@H](CCc1ccco1)NC(=O)COc1ccc(Cl)cc1Cl 12911706 YDWLUFZFHJNEMF-LLVKDONJSA-N 342.222 4.103 0 40 EIAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc(Cl)cc3)ccc(F)c21 12999140 HVVVINKLVTVHIP-SNVBAGLBSA-N 347.773 4.187 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(NC(=O)c2ccco2)cc1 14887712 IADPTIRMPIVITC-UHFFFAOYSA-N 346.386 4.273 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1F 15390542 WGMZEEFMFFCLNL-NSHDSACASA-N 333.790 4.374 0 40 EIAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 16084495 PKFQFURVCUGLAU-UHFFFAOYSA-N 345.851 4.314 0 40 EIAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 18150969 MZTSOLJUIKBKKM-UHFFFAOYSA-N 344.625 4.456 0 40 EIAB Cc1ccc(-c2cc([C@@H]3CCN(C4CCSCC4)C3)n[nH]2)cc1 19212105 MDXDDDHFOVMTBG-MRXNPFEDSA-N 327.497 4.070 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSC1CCCCC1 20456113 OOXTYSVLADXTIB-QGZVFWFLSA-N 335.513 4.335 0 40 EIAB CCCOc1ccccc1NC(=O)c1cccc(Nc2ncccn2)c1 24861974 VFLPWKUOSWSGHW-UHFFFAOYSA-N 348.406 4.261 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 25091045 CZZCJKDCBFUYIS-UHFFFAOYSA-N 339.826 4.392 0 40 EIAB Cc1cc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)no1 25251328 NULMFCMIZVVTBB-GOSISDBHSA-N 333.391 4.163 0 40 EIAB COc1ccc(OC)c(CCC(=O)Nc2cccc3ccccc23)c1 30806853 JOOMFFRDEJFBKF-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB COc1ccc2cc(C(=O)N[C@H](c3cccs3)C(C)C)[nH]c2c1 31257829 TXYDIXIBZLVTBC-KRWDZBQOSA-N 328.437 4.365 0 40 EIAB Nc1c(Cl)cc(NC(=O)CSc2cccs2)cc1Cl 31602946 JHEYVVICGHWYSS-UHFFFAOYSA-N 333.265 4.368 0 40 EIAB CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623241 PBRNDQCPARCMMR-UHFFFAOYSA-N 325.343 4.137 0 40 EIAB O=C(COc1ccc2ccccc2c1)N(Cc1cccs1)C1CC1 32796203 RMDZDBFTQLTIJI-UHFFFAOYSA-N 337.444 4.471 0 40 EIAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 32796209 SKNOHLSJKZFDAZ-SFHVURJKSA-N 328.843 4.383 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)NCCc1ccccc1F 40016145 ZUSVSNDQIWRVER-UHFFFAOYSA-N 338.785 4.002 0 40 EIAB COc1cc2c(cc1C(=O)Nc1ccc(C(C)C)cc1)OCCCO2 46077924 QNNLPYSIWDQCIN-UHFFFAOYSA-N 341.407 4.232 0 40 EIAB C[C@@H](OCC1CC1)C(=O)Nc1ccc(SCc2cccnc2)cc1 48374176 KLHPTSQPPMZLKN-CQSZACIVSA-N 342.464 4.128 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1 49544346 ALXFAKOHGJMSFP-GFCCVEGCSA-N 327.771 4.457 0 40 EIAB C[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2ccccc2c1 49580995 DVPNGKGMDSPZLN-HUUCEWRRSA-N 343.430 4.488 0 40 EIAB Fc1ccc([C@H](NCc2nc(C3CC3)no2)c2cccs2)cc1 55827776 JEGXWMHSDNOZGV-INIZCTEOSA-N 329.400 4.027 0 40 EIAB c1ccc(OCCNc2nc(-c3ccncc3)nc3ccccc23)cc1 58369490 TYNUFOJEDOMRLD-UHFFFAOYSA-N 342.402 4.183 0 40 EIAB Cc1ccc2cc(C(=O)NC[C@H](C)N(C)c3ccccc3)c(C)nc2c1 58380609 DWAKSQFKYPWAQN-INIZCTEOSA-N 347.462 4.106 0 40 EIAB Cc1cccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1 69709661 CCRSJWFFYRDXIL-UHFFFAOYSA-N 344.842 4.381 0 40 EIAB CCOC(=O)CCCCOc1ccc(Cl)cc1Br 95738562 UFWHRDXLPIYJKI-UHFFFAOYSA-N 335.625 4.215 0 40 EIAB O=C(NCCCn1ccc2ccccc21)NCc1cccc(Cl)c1 95946890 OHTLCLPZFRCSOC-UHFFFAOYSA-N 341.842 4.184 0 40 EIAB CO[C@](C)(CNC(=O)Nc1ccccc1Cl)c1ccccc1F 96123661 FIMANMSAAHLNJZ-QGZVFWFLSA-N 336.794 4.162 0 40 EIAB CO[C@@](C)(CNC(=O)/C=C/c1ccsc1)c1cccc(Cl)c1 96392701 CCMIFVKDQVQWKG-LXXRFIIISA-N 335.856 4.093 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 113970236 YPBVHLVTGIMCRP-MAUKXSAKSA-N 329.415 4.477 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)NCC1CCC2(CC1)OCCO2 192409114 BJJMMALAYSDOAY-UHFFFAOYSA-N 346.471 4.039 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 222902431 CRGGTNQKYATOTF-USYSOWRXSA-N 349.430 4.185 0 40 EIAB Cc1ccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 222940922 WHTPCBGLZKAAPH-LBPRGKRZSA-N 330.225 4.349 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2ccc(C)c(C)c2)cc1 223400018 YUUWQWZEHSENIO-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1 224913237 UZLSJZNKRIFQLR-UHFFFAOYSA-N 327.808 4.003 0 40 EIAB CCCCCNC(=S)Nc1nc(C)cc(Nc2ccc(F)cc2)n1 225204815 PWXUHKZWMHGQEO-UHFFFAOYSA-N 347.463 4.144 0 40 EIAB CN(Cc1ccccc1NC[C@@H]1CCC=CO1)C(=O)c1cccs1 225582438 QSLAJVDVXPVFFV-INIZCTEOSA-N 342.464 4.125 0 40 EIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccccc1Cl 225604355 VVDUXHKDUATKFJ-GFCCVEGCSA-N 330.815 4.028 0 40 EIAB COc1ccc(Cc2cnc([C@@H]3CCCN3Cc3cccnc3)o2)cc1 257317272 VJBZGGAQKLZDOG-FQEVSTJZSA-N 349.434 4.006 0 40 EIAB Cc1noc(C)c1CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 281261531 OPLXXFDZBWFQAC-NSHDSACASA-N 326.362 4.074 0 40 EIAB Fc1ccc2c(C3CCN(c4nc5ccccc5o4)CC3)noc2c1 517241036 PWISJZTVPVLQMP-UHFFFAOYSA-N 337.354 4.492 0 40 EIAB O=C(CCc1ccc(Br)cc1)N1CCC(=C2CCC2)CC1 1775986021 PRLWMMIZOCDHAC-UHFFFAOYSA-N 348.284 4.485 0 40 EIAB O=C(CCC(F)(F)F)NCCc1ccc(-c2cccs2)s1 1889130414 CSCBPGYKBCMBDI-UHFFFAOYSA-N 333.400 4.478 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)[C@H]1O[C@@H]1C(Cl)(Cl)Cl 160255 LDPFEPGGLUKXDY-BDAKNGLRSA-N 334.413 4.314 0 40 EIAB CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 2243056 OWGJQNXIWMMDTH-CMOCDZPBSA-N 339.479 4.087 0 40 EIAB biogenic,in-vitro O=c1oc2ccccc2c(-c2cc(O)cc(O)c2)c1-c1ccc(O)cc1 2573902 MCHSTHQYMREMQR-UHFFFAOYSA-N 346.338 4.244 0 40 EIAB CCCCOc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)O2)cc1 3009579 RYHYTCMCROKRPL-QGOAFFKASA-N 339.366 4.349 0 40 EIAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F 3326415 RYGPRMQAYRHXKN-UHFFFAOYSA-N 343.379 4.419 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c1 3345915 MIHQZDNVDNBWBO-OAHLLOKOSA-N 341.451 4.393 0 40 EIAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccncc2)N3)C1 4913741 ISIBJCIQXCPWSD-LRDDRELGSA-N 341.480 4.148 0 40 EIAB CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(C)cc1 5643050 UEZUJIKAUISELV-WBMJQRKESA-N 345.468 4.033 0 40 EIAB Cc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Br 6044129 KLUFNFUBDDZZDL-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1C 6216421 AFONYGMKRPFGKI-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB COc1ccc(CN2Cc3cc(OC)c(OC)cc3CC2(C)C)cc1 6754923 RORFLMBGUVYSPO-UHFFFAOYSA-N 341.451 4.049 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 6945822 WHFNSYWHMCUXAZ-UHFFFAOYSA-N 345.446 4.331 0 40 EIAB biogenic O=C1CCCN1c1ccc(OCc2ccc(Br)cc2)cc1 7025774 YECHNNXHBCKZQR-UHFFFAOYSA-N 346.224 4.155 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2)cc1OCC 7404775 RHVDYRDBDKQYCK-ZDUSSCGKSA-N 331.387 4.114 0 40 EIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1 7447486 LCZUSZJZGWCGDF-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccc(C)c(C)c2)ccc1OC 7637921 YDKWMDLXDJGGSM-DHZHZOJOSA-N 325.408 4.363 0 40 EIAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1Br 7951163 JSVQVAGXVDCTRY-UHFFFAOYSA-N 345.240 4.302 0 40 EIAB CCOc1cc(CNC2CCCCC2)cc(Br)c1OC 8253584 NQQVDBPBSYRFGT-UHFFFAOYSA-N 342.277 4.279 0 40 EIAB CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(Cl)cc1 9117983 UFIZTWJIBVCPNH-GFCCVEGCSA-N 336.892 4.190 0 40 EIAB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 11538803 RCGKRXHQUNWRQJ-IGKXFLDPSA-N 343.810 4.349 0 40 EIAB O=C(NCCc1cccc2cccnc12)Nc1nc2ccccc2s1 11563347 VZMNRGCQZMEQRP-UHFFFAOYSA-N 348.431 4.209 0 40 EIAB CC(=O)Nc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)cc1 12185845 QOIXKMBCLXQCNZ-IBGZPJMESA-N 327.428 4.059 0 40 EIAB CCc1nc(NC(=O)c2cc3cccc(C)c3nc2C)sc1C 12198556 PXPCAOZZQRUPJM-UHFFFAOYSA-N 325.437 4.431 0 40 EIAB O=C(CCc1ccccc1)NCCOc1cccc(Cl)c1Cl 12376267 HNVXJIXZIKXQKN-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(F)c(Cl)c1 12422257 HXVGTOMVMJSBJK-UHFFFAOYSA-N 336.775 4.377 0 40 EIAB CCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12628435 RAFPBZYUNFSKDB-LJQANCHMSA-N 349.434 4.329 0 40 EIAB Cc1nc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cs1 12635091 RWAGDTFFFOFAJH-ZHACJKMWSA-N 335.432 4.093 0 40 EIAB COc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 12758285 WZKVRFNRVQORLJ-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB O=C(Nc1nc(SCc2ccccc2)ns1)c1cccc(F)c1 12770711 NZDBFWFZSZHCEP-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)c(OC)c1 12782461 DVWSIWVDLFWFNF-QHSLDKKCSA-N 337.419 4.081 0 40 EIAB O=C(NC1CC1)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 12926369 SLECRQQZLQFPRG-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB COc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)ccc1C 12987360 IOTCMUOUOHNCLR-UHFFFAOYSA-N 347.798 4.071 0 40 EIAB COC(=O)c1cc(NC(=O)CCC2CCCCC2)c(F)cc1F 13008008 PIQYFQNMKJCCLE-UHFFFAOYSA-N 325.355 4.050 0 40 EIAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)C(C)(C)C)c12 13641990 DOTZFQWEAXDGII-NSHDSACASA-N 343.452 4.424 0 40 EIAB Cc1ccc(-c2csc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)n2)cc1 14075315 BYNFQBLCVCLNCF-HUUCEWRRSA-N 343.496 4.035 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)n1 14304656 MUSLMRFTYOZCPT-UHFFFAOYSA-N 334.375 4.200 0 40 EIAB CCCc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19525798 GPFKFJRURVSOHE-WAGURGNTSA-N 335.495 4.491 0 40 EIAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 20995738 RUOQPVFOYAYEPG-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)cc1 27664480 YIHGANMFAXPSDU-CQSZACIVSA-N 336.391 4.310 0 40 EIAB CCCn1c(S[C@H](c2ccccc2)c2ccccc2C)n[nH]c1=O 28188113 GZPCWWSGXRTSHM-QGZVFWFLSA-N 339.464 4.172 0 40 EIAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2nc1C 32740784 HGZNVNAHNMPEJI-QGZVFWFLSA-N 337.448 4.285 0 40 EIAB COc1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1OC(C)C 32781408 WZYXYIURBSVBRI-CYBMUJFWSA-N 345.464 4.303 0 40 EIAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc2ccccc2[nH]1 32913917 SVTVUZXJCTWLPY-UHFFFAOYSA-N 348.431 4.171 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2ccccc2F)C1 36365974 ZJZCHJLLESDWDR-CQSZACIVSA-N 325.318 4.274 0 40 EIAB O=c1ccc2cc3c(-c4ccc5c(c4)OCCCO5)coc3cc2o1 36370032 ZNNMJOAWDAQPGR-UHFFFAOYSA-N 334.327 4.368 0 40 EIAB biogenic CCn1cc(C(=O)N2CCc3cc(F)c(F)cc32)c2ccccc21 36394670 BUQGXVHAUIAFGU-UHFFFAOYSA-N 326.346 4.142 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38833412 INLNIIQXSMLIFR-GOSISDBHSA-N 340.442 4.293 0 40 EIAB CC(C)c1nnc(NC(=O)CSc2ccc3ccccc3c2)o1 40087954 LINIMRQNGMAPHU-UHFFFAOYSA-N 327.409 4.077 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccsc1 40107712 PZUQQOHCPJEZNR-JTQLQIEISA-N 326.215 4.081 0 40 EIAB Cc1ccccc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1 40108474 ZIPDKQNJBURFJB-ZDUSSCGKSA-N 332.241 4.119 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)n[nH]2)cc1 44839006 ZXGAAXJOPLYDEN-UHFFFAOYSA-N 333.435 4.439 0 40 EIAB CC1CCN(Cc2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1 44940392 INDUBDSJPQXMDH-UHFFFAOYSA-N 328.500 4.323 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(NC(C)=O)cc1 44948084 PPWLQBCOZAHIGD-IBGZPJMESA-N 340.423 4.058 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)cc1 47584177 MISFAEIEUXGVLP-LLVKDONJSA-N 345.424 4.078 0 40 EIAB C[C@@H](Nc1cccc(COCC2CC2)c1)C(=O)Nc1ccccc1F 58355533 BKGAVDNWUGJJKB-CQSZACIVSA-N 342.414 4.191 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)o1 58391336 YZVBERHWTYXGFI-IXFUNQINSA-N 333.391 4.241 0 40 EIAB CC(C)(C)NCCNc1nc(-c2cccs2)nc2ccccc12 69520805 ZAOGGJCWPXWOPG-UHFFFAOYSA-N 326.469 4.158 0 40 EIAB CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccncc1 69700230 PWRCOFMIAZXHIA-CQSZACIVSA-N 331.847 4.416 0 40 EIAB O[C@@H](CSCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 69738910 DCSPRBXXJJGCHS-HNNXBMFYSA-N 346.839 4.357 0 40 EIAB Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)sc1Br 74941258 JFINFYUCNBCOCQ-VIFPVBQESA-N 347.278 4.286 0 40 EIAB CC(C)C[C@H](NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1cccs1 75314087 PNCKIKRPDOMCKT-HMQMGEFJSA-N 349.544 4.150 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 89263134 SOPKFSBCTGLEAB-UHFFFAOYSA-N 341.223 4.312 0 40 EIAB CC[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCO2 95420162 DZULSJUXHUJJSJ-OAQYLSRUSA-N 347.462 4.107 0 40 EIAB O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCCSCC1 95957335 RPJQSFGUOKPZID-RYUDHWBXSA-N 330.280 4.062 0 40 EIAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(OC(F)F)c1 96404448 MALOSUVOIPQDQK-XFNZEKPQSA-N 328.355 4.437 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)c2cccs2)o1 96503264 WPTDRQWZLFDXQB-ZFWWWQNUSA-N 348.468 4.138 0 40 EIAB c1ccc(Oc2ccc(CN[C@@H]3CCO[C@@]4(CCSC4)C3)o2)cc1 97236027 VVBSSJGZIGDNHO-BEFAXECRSA-N 345.464 4.216 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H]1C=C[C@H]2C1=C1CCCCC1 102707335 HDQXJYPBEJVKLX-CAMMJAKZSA-N 337.394 4.008 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 118916299 XBSQQVJXPODPRW-VAHRBOLPSA-N 344.495 4.386 0 40 EIAB O=C1NCCCN1c1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 129572836 XZNTZBIJSPDRLO-OLZOCXBDSA-N 341.377 4.139 0 40 EIAB CCOc1ccccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584306 ZKMNCEOQANAPST-KKXDTOCCSA-N 339.464 4.070 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C)c3C)N21 222692350 CWAUEIIJYLWWCO-FHLIZLRMSA-N 340.496 4.016 0 40 EIAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 222781952 BEQHRFUWNFFXBR-CQSZACIVSA-N 329.415 4.379 0 40 EIAB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 222790291 MBEQRPXZJZYALE-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCSc2ccccc2)ccc1Cl 222840141 FDJTURVJCPEPKZ-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2ccccc2c1 225062734 NJDCRCYMUIUFBT-UHFFFAOYSA-N 347.386 4.333 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccccc2C)c1 225754059 KVLIERFTJPOHEU-AWEZNQCLSA-N 342.464 4.219 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225917349 YAZCSDWNOXYIII-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1 226349579 HNWIQFSXAJPVMM-UHFFFAOYSA-N 328.412 4.099 0 40 EIAB Cc1ccc(N2C(=N)S/C(=C\c3ccc(F)cc3)C2=O)c(C)c1 408842604 OWCIUQBFAZQDAZ-UDIJICLVSA-N 326.396 4.498 0 40 EIAB CC(C)(C)c1cn2nc(C(=O)Nc3ccc(Cl)c(F)c3)ccc2n1 1888913643 JFCLFOUHYGIEGD-UHFFFAOYSA-N 346.793 4.072 0 40 EIAB COC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C 91404 UFYMVJLILOQOCV-UHFFFAOYSA-N 337.828 4.047 0 40 EIAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2cccs2)o1 244861 IVSUNCXNUQSXQE-UHFFFAOYSA-N 330.752 4.225 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1C 568314 NCTFIPRZIYSMJA-UHFFFAOYSA-N 347.462 4.497 0 40 EIAB C[C@H](O)CN(C)CC/C=C1/c2ccccc2CSc2ccccc21 968657 RZTBVIDBPCDVPL-YLRSXTQRSA-N 339.504 4.427 0 40 EIAB CCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1648313 FKNVSAZGGXCITA-UHFFFAOYSA-N 331.966 4.175 0 40 EIAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)C1CCCCC1 1876365 KYAKEGOMGKVVMX-UHFFFAOYSA-N 340.452 4.129 0 40 EIAB CC(C)N(CCNC(=O)C(c1ccccc1)c1ccccc1)C(C)C 1888460 GSCHLPMNNOMSNR-UHFFFAOYSA-N 338.495 4.054 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C)oc1C 2664009 DRKZJSHTUHELDD-GFCCVEGCSA-N 329.396 4.205 0 40 EIAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CC=C(c2ccccc2)CC1 3333751 LSELBJCWNXPLQC-SFHVURJKSA-N 346.474 4.144 0 40 EIAB Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2C)cs1 3354686 LMHOWPKTWSZWQN-UHFFFAOYSA-N 336.873 4.193 0 40 EIAB C[C@H]1CCc2nc(NC(=O)c3ccc4ncsc4c3)sc2C1 4088359 GGLDFNZNKQNMCL-VIFPVBQESA-N 329.450 4.130 0 40 EIAB CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)c3ccccc3)c12 4745971 ZCTITRLINOITLJ-AWEZNQCLSA-N 336.387 4.314 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC1CC1 5242885 DCNHDMZXJRDAPW-ZDUSSCGKSA-N 349.459 4.056 0 40 EIAB CC[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)OC)c1ccccc1 5476426 XZAVKDZCYZDJQW-AWEZNQCLSA-N 331.437 4.284 0 40 EIAB CCN(CC)c1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 5934717 NOSLPRIHEVTWLQ-UHFFFAOYSA-N 343.496 4.028 0 40 EIAB CCc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(C)cc1)=N2 6134973 GUXXVPHTJLSNKI-UHFFFAOYSA-N 340.430 4.386 0 40 EIAB Cc1cc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1Br 6332777 IVDFAQJGBZGLFB-MISXGVKJSA-N 339.302 4.233 0 40 EIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccs1 6549972 ATBSTXNZFPOAGQ-UHFFFAOYSA-N 341.461 4.181 0 40 EIAB Cc1cc(C(=O)CSC2=Nc3ccccc3CS2)c(C)n1C 6588211 VCMKCQSOCIXBDA-UHFFFAOYSA-N 330.478 4.492 0 40 EIAB Cc1cc(COC(=O)c2c(-n3cccc3)sc3c2CCCC3)no1 7938399 PTDCXZAXJUOLJE-UHFFFAOYSA-N 342.420 4.071 0 40 EIAB COc1ccc2cc(CN(C)C(=O)COc3cccc(C)c3)ccc2c1 8360853 ABJTVDPXYHZUQK-UHFFFAOYSA-N 349.430 4.194 0 40 EIAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)NCc1cccs1 8707410 CIYOMJPGZLYEKT-GFCCVEGCSA-N 328.462 4.093 0 40 EIAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccc(C)o2)c1 9204729 TVWPFUKOIDECNZ-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB COc1ccccc1NC(=O)NCCc1ccc(Cl)cc1Cl 9515182 GALGGRXUJXJNSI-UHFFFAOYSA-N 339.222 4.366 0 40 EIAB Cc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)no1 9609258 RYIVBAORLGWPHZ-UHFFFAOYSA-N 325.349 4.105 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)N3CCc4ccccc4C3)sc2n1 10091498 KTTPNLWZCIMLQW-UHFFFAOYSA-N 336.460 4.420 0 40 EIAB Cc1ccc(SCC(=O)NCCSCc2ccccc2F)cc1 10280198 VKSASAYKAMZJPJ-UHFFFAOYSA-N 349.496 4.276 0 40 EIAB CCc1ccc(CCC(=O)NCCSc2ccc(C)cc2)cc1 10334078 VZIASGIHURMPRR-UHFFFAOYSA-N 327.493 4.399 0 40 EIAB CCc1ccc(C2=NN=C(Nc3cccc(OC)c3)SC2)s1 11122930 ZNGVXGJREPWOJJ-UHFFFAOYSA-N 331.466 4.238 0 40 EIAB CCCc1n[nH]c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)n1 11807875 TUEVFIYFOJVLFZ-UHFFFAOYSA-N 349.843 4.118 0 40 EIAB CCN1CCC(NCc2ccc(-c3nc4ccccc4s3)o2)CC1 12569443 IKPVMMSAJHBNQW-UHFFFAOYSA-N 341.480 4.130 0 40 EIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)cc1 12619073 OGVSSMCTSCNINA-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 12799333 SMKBKEXENJIUFW-UHFFFAOYSA-N 325.343 4.108 0 40 EIAB Cc1ccc(Cl)cc1NCC(=O)N1CCSc2ccccc21 12988579 PUIVDAOFTJECPV-UHFFFAOYSA-N 332.856 4.199 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)n1 14077465 ZSPRQKWZBDAPAX-UHFFFAOYSA-N 326.783 4.362 0 40 EIAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(C)nn(C)c2n1 14898490 XYXVZXMUZGJOTQ-UHFFFAOYSA-N 349.221 4.144 0 40 EIAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1C 15801821 WKGXZEWVUNZIRV-GFCCVEGCSA-N 349.789 4.280 0 40 EIAB CC1CCN(Cc2ccc(C(=O)NC3CCCCCC3)cc2)CC1 20492880 TUIOGQMXKGLTKG-UHFFFAOYSA-N 328.500 4.371 0 40 EIAB Cc1cc(OCC(=O)N2CCSc3ccccc32)ccc1Cl 21331640 PHHDPZZAJHWBMH-UHFFFAOYSA-N 333.840 4.166 0 40 EIAB COc1ccc(NC(=O)c2cccnc2NC2CCCCC2)cc1 22072078 SKRRVPGGLHTUDN-UHFFFAOYSA-N 325.412 4.087 0 40 EIAB O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(Cl)c1F 23325525 UPNCLSDSCOHZHY-UHFFFAOYSA-N 329.705 4.262 0 40 EIAB Cc1cc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)c(C)s1 23501155 IKXKNDBITIJADN-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB CC[C@H](C)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 23872461 MGRNJZOLPDNSMR-YWZLYKJASA-N 341.451 4.150 0 40 EIAB Cc1noc(CSc2ccccc2C(=O)NC2CCCCCC2)n1 24990128 CZVRCPRTGIKHEE-UHFFFAOYSA-N 345.468 4.123 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OC 33699362 LOCUBJYRASLATR-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB CC[C@@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)NC 35458728 RNCWKUCWPBNWOH-PPUCIXEFSA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)N[C@@H](c2cccs2)C(C)C)c1 40024003 CCNDWSXJYYLFQS-MRXNPFEDSA-N 334.441 4.284 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Cl)ccc1F 40082494 HLWDBYSPYASHSW-UHFFFAOYSA-N 346.789 4.248 0 40 EIAB C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(Br)c1 40093951 DJCRJGOWIMOEQL-NSHDSACASA-N 343.224 4.421 0 40 EIAB COc1cc(NC(=O)N(C)Cc2ccc(SC)cc2)cc(OC)c1 40097735 VBFQEPQAQBNTHG-UHFFFAOYSA-N 346.452 4.090 0 40 EIAB Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1C2 43735991 CWEKHXSSQMBRHH-WSYNCDOCSA-N 327.468 4.320 0 40 EIAB biogenic O=C(Nc1ccccc1-n1ccnc1)c1cc(F)c(F)cc1Cl 45859977 MJBAXJFGZAOEBM-UHFFFAOYSA-N 333.725 4.056 0 40 EIAB C[C@@H]1CCCCN1C(=O)NCc1cccnc1Oc1cccc(F)c1 45999463 BFLIUFWTRPARMJ-CQSZACIVSA-N 343.402 4.097 0 40 EIAB COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@H]1[C@@H](O2)C1(C)C 49181475 NGRRXMZEVSBATO-ORPRQENYSA-N 336.387 4.286 0 40 EIAB biogenic,in-vitro C[C@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 57369633 GSANSHMHDXCJMM-JXFKEZNVSA-N 334.463 4.022 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCc1cccc2cccnc12 58366887 WNVDTEUMVNHSGZ-UHFFFAOYSA-N 340.426 4.289 0 40 EIAB Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)s2)o1 58421676 BMXHYAVKTFZAFU-OAHLLOKOSA-N 345.855 4.393 0 40 EIAB Oc1nncc(N2CCC(c3cccc4ccccc34)CC2)c1Cl 58544800 QVULIKBASMUOLS-UHFFFAOYSA-N 339.826 4.373 0 40 EIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3F)o2)cc1 63888114 POTKCTAEGDNGSK-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB Cc1nccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)n1 68361260 AAVIQUZKHUQHRO-AWEZNQCLSA-N 332.407 4.210 0 40 EIAB Cc1cc(C)c2nc(-c3ccc(I)cc3)[nH]c2c1 70462766 FEDHAJYTQWSMIT-UHFFFAOYSA-N 348.187 4.451 0 40 EIAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1ccc(Cl)cc1Cl 71279091 JRSCTHFGVUTRIU-ZETCQYMHSA-N 343.191 4.272 0 40 EIAB COc1cc(OC)cc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1 71282998 YFMHEVZCVBVLEB-MRXNPFEDSA-N 341.411 4.139 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2F)c1 71326187 COUHYVZIXSXHOT-UHFFFAOYSA-N 338.791 4.075 0 40 EIAB CCn1ncc(C(=O)N[C@H](C)c2cc(C)sc2C)c1C(F)(F)F 71851077 JLYFAYWPRCFGIX-SECBINFHSA-N 345.390 4.091 0 40 EIAB Cc1cc(CSc2nncn2Cc2ccco2)c2ccccc2n1 71910332 WRFXMTVNNMDEOW-UHFFFAOYSA-N 336.420 4.068 0 40 EIAB Nc1nc(-c2ccc(Br)cc2)cc(-c2cccc(F)c2)n1 71977736 PYEKXDBRLOCGGQ-UHFFFAOYSA-N 344.187 4.294 0 40 EIAB Cc1cc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)ccc1F 89645528 AIRYOBJPGDGQQD-LBPRGKRZSA-N 331.372 4.159 0 40 EIAB O=C1c2cc3ccccc3nc2CN1c1ccc(Br)cc1 96026288 HHLVLXSVBGQDGE-UHFFFAOYSA-N 339.192 4.158 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1N(C)C 96417946 MCEQDRMVYOIRJG-KRWDZBQOSA-N 326.444 4.153 0 40 EIAB S=C(Nc1ccc(N2CCCCCC2)nc1)NC1CCCCCC1 224042457 RENSKRAKGHVCJC-UHFFFAOYSA-N 346.544 4.471 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1OC 224054784 XAQDVJBOACZRSU-SUMWQHHRSA-N 347.842 4.383 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCCc2ccc(F)cc2)c1 224083703 WRDGJHXKUQMZHG-UHFFFAOYSA-N 343.442 4.385 0 40 EIAB COc1ccc(Cl)cc1C(=O)N(C)c1ccc(N2CCCC2)cc1 225039823 ANCQHVORNONYEH-UHFFFAOYSA-N 344.842 4.225 0 40 EIAB CCOc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 225546628 ADERLFYIHDQSDW-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB CCCO[C@]1(C(=O)Nc2ccc(OCC)nc2C)CCC[C@@H](C)C1 225910990 NTYMPYFEHXZTJD-AUUYWEPGSA-N 334.460 4.103 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2cccc(F)c2F)O[C@@H]2C[C@H](C)CC[C@H]21 257213900 CJPNBZNJADJKFX-MMKFELLXSA-N 337.410 4.126 0 40 EIAB c1csc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1 306142911 XOBHPHIINAUCTR-INIZCTEOSA-N 338.480 4.047 0 40 EIAB COc1ccccc1-c1ccc([C@@H](C)NCCC[C@H](C)CO)cc1 536837147 DJQJEJOYUUNIHK-DLBZAZTESA-N 327.468 4.421 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(F)cc1Cl 575414308 ABMZYCWGBSCGJE-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB Oc1ccc(Cl)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 1653614775 SABLCDDVUBRTNQ-HXUWFJFHSA-N 338.838 4.452 0 40 EIAB Cc1cccc(NC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)c1 186229 PSPNCAZRSHRURF-UHFFFAOYSA-N 342.464 4.392 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 208345 OZSRSXLGGAAWHS-HXUWFJFHSA-N 344.370 4.186 0 40 EIAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CCCC3)sc21 536506 PTCZOKZCKANWQU-UHFFFAOYSA-N 339.464 4.376 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)cc2)cc1 2057315 QLUIFPMOZAQYBF-UHFFFAOYSA-N 341.407 4.295 0 40 EIAB CC(=O)Nc1ccc(Sc2c(F)c(F)c(F)c(F)c2F)cc1 3396010 IAZMRJQWUGEEQK-UHFFFAOYSA-N 333.281 4.492 0 40 EIAB Cc1ccc2c(COC(=O)c3ccccc3Cl)cc(=O)oc2c1 3507163 QFTLQOYSUMAYNS-UHFFFAOYSA-N 328.751 4.112 0 40 EIAB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 4027601 FMNPCVNWRFPDCA-AFDCHOCNSA-N 328.452 4.483 0 40 EIAB Brc1cc(Br)c2nc3c(cc2c1)CCC3 4051027 DAHMUJBHSOWVNQ-UHFFFAOYSA-N 327.019 4.249 0 40 EIAB O=C(O)Cc1sc(Nc2ccccc2F)nc1-c1ccc(F)cc1 4682234 RSVVBUSNXGGPHL-UHFFFAOYSA-N 346.358 4.459 0 40 EIAB COc1ccc(CNCc2cc3cccc(C)c3nc2Cl)cc1 4861346 FXWIFPUYKQQKQS-UHFFFAOYSA-N 326.827 4.495 0 40 EIAB CCCCCOc1ccc(Br)cc1CSC(=N)N 4862984 TVLQEMVQTXJGQO-UHFFFAOYSA-N 331.279 4.145 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 5443426 XROILGGUIBOSJL-JTQLQIEISA-N 342.197 4.216 0 40 EIAB CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](CC)C2 5476672 IZGYZROXRFAWPD-GFCCVEGCSA-N 337.485 4.424 0 40 EIAB O=C(CSc1cccc2cccnc12)NCCCc1ccccc1 5980564 PNZSIIHPMDGQBI-UHFFFAOYSA-N 336.460 4.076 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccc(F)cc1F 6377240 NTEZEUAQQJCDGX-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB COCc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 7399347 XXGRDXXZNWGEJB-UHFFFAOYSA-N 332.812 4.348 0 40 EIAB Cc1nc(COc2ccccc2C(=O)NC2CCCCC2)cs1 7918541 RKVLGYUHQHBGSS-UHFFFAOYSA-N 330.453 4.093 0 40 EIAB CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(F)c(F)c2)cc1 8176998 KRRFWOBTTJTWSM-NSHDSACASA-N 337.391 4.483 0 40 EIAB O=C1N[C@@H](c2ccc(-c3nc4ccccc4s3)o2)Nc2ccccc21 8191751 KDWABMLWHJRGDU-KRWDZBQOSA-N 347.399 4.410 0 40 EIAB CC(C)c1n[nH]c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 8769690 JNYRHRCJDYTZLT-HDPALTEOSA-N 333.501 4.194 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3o2)CC1 9986979 CMRKKIQMTUDLOL-UHFFFAOYSA-N 333.387 4.168 0 40 EIAB Clc1cc(Br)cc2sc(Br)nc12 11920201 HNIPBNKQQPADKW-UHFFFAOYSA-N 327.428 4.475 0 40 EIAB Cc1cccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C 12915024 HILORJXRQAUXHK-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1 13049176 MSFHZLCMFLQAIP-BEFAXECRSA-N 327.424 4.038 0 40 EIAB O=C(c1ccc(F)cc1)C1CCN(C(=S)Nc2ccccc2)CC1 13477745 IJBXEPHRUZKQFJ-UHFFFAOYSA-N 342.439 4.117 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1OC 15412696 BVRSBWBGLZVTPY-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB Cc1nc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n(C)c2)cs1 16206284 JJRBSAFSSYBUPN-UHFFFAOYSA-N 329.400 4.157 0 40 EIAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1F 18116349 QRJOGLSYXJOQDT-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1 18702093 REKVYFXVOYYKNU-UHFFFAOYSA-N 337.345 4.199 0 40 EIAB O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCc2ccccc2C1 20533693 AYABSBFXWIJKHS-UHFFFAOYSA-N 325.452 4.398 0 40 EIAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 28245018 GNVNFLOYMHMAMW-ROUUACIJSA-N 335.382 4.062 0 40 EIAB O=C(Oc1ccccc1Cc1ccccc1)[C@H]1Cc2ccccc2O1 29472165 OJXPDPZXRNIRJA-OAQYLSRUSA-N 330.383 4.187 0 40 EIAB Cc1cccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 29840147 ZHEQZKGJWFXMMK-HXUWFJFHSA-N 328.415 4.178 0 40 EIAB CCCCc1ccc2nc(NC(=S)NC(=O)C(C)C)sc2c1 32118650 UUDDMPWIIJNLJF-UHFFFAOYSA-N 335.498 4.108 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)c1csc(-c2ccccc2)n1 32740652 UWZSDXWYVBWXMN-UHFFFAOYSA-N 341.461 4.398 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)cc1Cl 33136268 YGYAGUUWTJCAQZ-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB Cc1nnc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)c2ccccc12 33942153 WSRUDUWCAAXFNN-ALKREAHSSA-N 326.465 4.424 0 40 EIAB COC(=O)c1cc(Nc2ccc(C)c(F)c2)c2cccc(F)c2n1 38486940 QVOFYXWTWKMBHK-UHFFFAOYSA-N 328.318 4.352 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C 40510900 AIJOEECSKPFIIE-UHFFFAOYSA-N 337.379 4.105 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2[nH]ncc12 42018408 UNGIUXKBPLSPGS-NSHDSACASA-N 336.420 4.006 0 40 EIAB COc1ccc2[nH]cc(C3=CCN(C(=O)/C=C(\C)C4CC4)CC3)c2c1 58250530 QATSMHNLKZNJHR-SDNWHVSQSA-N 336.435 4.149 0 40 EIAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)NC1CCCCCCC1 61573215 AKYHIDGDOOYXRA-UHFFFAOYSA-N 347.434 4.187 0 40 EIAB Cc1noc(C2(NC(=O)c3ccc(C(C)(C)C)cc3)CCCCC2)n1 65257827 UBBFAGYVZLLIOU-UHFFFAOYSA-N 341.455 4.265 0 40 EIAB Clc1nc(Sc2ccccc2)sc1CNC[C@H]1CCOC1 65933352 YHKBZYNZDDWAHD-LLVKDONJSA-N 340.901 4.074 0 40 EIAB O=C(C[C@@H]1OCCc2sccc21)N(Cc1ccsc1)C1CC1 69595044 WFUDEIYLKOIAFX-HNNXBMFYSA-N 333.478 4.005 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1 71876677 BQROWEDMRDIXPZ-IBGZPJMESA-N 336.439 4.029 0 40 EIAB O=C(NCC[C@H](O)c1ccccc1)c1sc2ccccc2c1Cl 72242744 GSXKDFPBTRBSQP-AWEZNQCLSA-N 345.851 4.408 0 40 EIAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nccs1 72293497 DLVQUIFASURMGD-GVDBMIGSSA-N 326.465 4.309 0 40 EIAB C[C@@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccsc1 75142971 AYOLVKYJIDLDSM-BDJLRTHQSA-N 341.436 4.218 0 40 EIAB c1ccc([C@H](NCc2cccnc2)c2ccc3c(c2)CCCO3)cc1 78656946 SZWVUYPUUQNMIO-QFIPXVFZSA-N 330.431 4.286 0 40 EIAB CSc1cccc(N(C)Cc2nnc(Cc3ccccc3)o2)c1 79354114 NORIPOVEYPAMNC-UHFFFAOYSA-N 325.437 4.019 0 40 EIAB C[C@H](NCCc1c[nH]c2ccccc12)c1ccc(N2CCOC2=O)cc1 95419126 WGLAKFHQSNRDKD-HNNXBMFYSA-N 349.434 4.018 0 40 EIAB NC(=O)N1CCC(N[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 95969357 XOVOTBMJJVRREV-GOSISDBHSA-N 349.906 4.094 0 40 EIAB C[C@@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccccc12 101390375 VKXXSOQCNNQBBU-ONUMYQOESA-N 328.412 4.006 0 40 EIAB CSc1nc2n(n1)[C@H](c1sccc1C)C1=C(O)C[C@H](C)CC1=N2 102710898 SITXGLJXAUQYLU-OQPBUACISA-N 346.481 4.287 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3OC)N21 222641447 ZDYPNXGLYOKFAH-JEBQAFNWSA-N 339.464 4.070 0 40 EIAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2ccc(F)cc2)cc1 223385184 FZMNWONUVAWWBK-AWNIVKPZSA-N 341.426 4.332 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1CCCCC1 225203581 SVLYVMJOPGCKTH-FQEVSTJZSA-N 329.484 4.419 0 40 EIAB CCC[C@H](C)NC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225213618 BKKJSDFIDZDEPU-JTQLQIEISA-N 336.482 4.163 0 40 EIAB CCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(F)(F)F 225804864 JEVVPUGBTLEMIB-UHFFFAOYSA-N 345.361 4.392 0 40 EIAB Cc1cccc(C)c1NC(=O)N[C@@H](c1ccccc1)C(C)(C)CO 585140283 BBWNBEOWCBFYOD-SFHVURJKSA-N 326.440 4.185 0 40 EIAB CC[C@@H](NC(=O)N1CCC[C@H](OC2CCC2)C1)c1csc(C)c1 1616031365 QFXHUHSCWVYTJF-DLBZAZTESA-N 336.501 4.251 0 40 EIAB c1ccc2c(N3CCC(N4CCc5sccc5C4)CC3)ccnc2c1 1775970537 FGTUHRJADAFJPJ-UHFFFAOYSA-N 349.503 4.323 0 40 EIAB Cc1cccc(NC(=O)N2CCC(COc3ncccc3C)CC2)c1 1775996249 IUIXIFZVPVQYTH-UHFFFAOYSA-N 339.439 4.021 0 40 EIAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222200 FDNWTGCGATUOIG-SJORKVTESA-N 340.814 4.086 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccc(Br)cc1 355075 LKDOLFCMFMGHKE-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 364372 FYDZUVWJTUBEIL-INIZCTEOSA-N 345.398 4.324 0 40 EIAB O=c1[nH]c(-c2ccc(Br)cc2)cn1-c1ccc(Cl)cc1 426725 XJNUOJNDQOVHHL-UHFFFAOYSA-N 349.615 4.249 0 40 EIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OC)c1 569296 OVHWVLXUQSCBFJ-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3C)c2cc1C 1401762 LTIWRAUXLISALX-UHFFFAOYSA-N 343.430 4.365 0 40 EIAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1cccc(Cl)c1 3173713 WMNKKLQQTODSSI-OQLLNIDSSA-N 344.823 4.446 0 40 EIAB CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3248147 YCKNSNNBRFZBEB-UHFFFAOYSA-N 332.375 4.164 0 40 EIAB COc1cc2c(cc1N[C@H](C)C(=O)N1CCCC1)oc1ccccc12 3457376 DYVAWLHOKYLMAL-CYBMUJFWSA-N 338.407 4.017 0 40 EIAB Cc1ccc(C(=O)[C@H](Sc2nncn2C)c2ccc(C)cc2)cc1 3523752 IFHACACFDFWZTE-GOSISDBHSA-N 337.448 4.148 0 40 EIAB Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)c(C)c1 3647919 LQNBHIKLYATTSC-INIZCTEOSA-N 326.421 4.250 0 40 EIAB O=C(c1ccccc1Cl)N1CCN=C1SCc1ccc(F)cc1 4119944 KSUJKCPSEZDXMI-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)cc1Cl 4667184 URRKYRZQPZLIGW-CYBMUJFWSA-N 335.856 4.097 0 40 EIAB Cc1cccc2sc(NC(=O)c3ccccc3OC(F)F)nc12 7725104 GKGCNUKDRKNXMS-UHFFFAOYSA-N 334.347 4.458 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccccc2Cl)cs1 7988689 IUWLFRNPEFPYRV-UHFFFAOYSA-N 347.827 4.250 0 40 EIAB CCOCCCNCc1ccccc1OCc1ccccc1Cl 8253214 ABKKZSZEVWSSSA-UHFFFAOYSA-N 333.859 4.435 0 40 EIAB O=C(NC1CCCCCC1)c1ccc(NC(=O)c2cccs2)cc1 8393602 KQBDLKVJMSPVLB-UHFFFAOYSA-N 342.464 4.453 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)C3CCCCC3)n2C)cc1 8708788 LHDAJNACVOSUTI-UHFFFAOYSA-N 329.469 4.032 0 40 EIAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn12)c1ccccc1 8845481 AZUMXWSPPQNTHG-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB CCCSc1ncc(Cl)c(C(=O)Oc2cccc(C)c2C)n1 9431815 AXYQTBWSKDVDBI-UHFFFAOYSA-N 336.844 4.468 0 40 EIAB Cc1noc(C)c1C(=O)N(CCc1ccccc1)Cc1cccs1 9499258 HXJXWOYBEAOKQB-UHFFFAOYSA-N 340.448 4.238 0 40 EIAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCc2ccccc21 12408412 DCOUUZWYBPETQD-UHFFFAOYSA-N 338.407 4.081 0 40 EIAB Cc1ccc(C)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1 12859774 KEZOBHFBNKNSQF-CYBMUJFWSA-N 341.382 4.150 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1nn(-c2ccccc2)c2c1CCC2 12995342 RDCZJGXVOZYEJY-UHFFFAOYSA-N 337.810 4.267 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 13011179 ZITFMXDGJYBRNE-AWEZNQCLSA-N 343.279 4.088 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccccc3O)on2)C1 13119828 AHOKGEPMVCQDBT-ZUOKHONESA-N 340.423 4.088 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 13710821 XUYPRSVTPYFNBK-ROUUACIJSA-N 325.452 4.208 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1cccnc1 13732670 FIVCMMHSEUPFPJ-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccc(C)c2[nH]c(=O)c(CNCc3ccc(Cl)cc3)cc12 13998572 YHFISEQVONCOSN-UHFFFAOYSA-N 326.827 4.088 0 40 EIAB COc1ccc(-n2ncc3c2C[C@@H](c2cccc(C)c2)CC3=O)cc1 14164183 NGZLYEKFIAOZMD-MRXNPFEDSA-N 332.403 4.102 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCC1(c2ccccc2)CCC1 14709453 KIFMMJAPMLXMLO-UHFFFAOYSA-N 345.442 4.457 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1OC(F)F 14790021 SEXIGKDRWPDIEC-UHFFFAOYSA-N 345.267 4.237 0 40 EIAB Cc1c(C(=O)Nc2ncc(Br)s2)oc2ccccc12 17070824 YSUPUOCDXMZBHQ-UHFFFAOYSA-N 337.198 4.213 0 40 EIAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc(C)c1Cl 19736434 JGOZLUFWNBRYAN-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1 19923732 AXRVWHDOPGHHDS-UHFFFAOYSA-N 329.831 4.003 0 40 EIAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 20145119 ZAEXNHHLGQWEAG-IZZDOVSWSA-N 339.391 4.169 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)N1CCc2ccccc2C1 20238115 OTDOZKLDVDVDBW-UHFFFAOYSA-N 331.868 4.158 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1C 22538067 FBBDBIVZOZCZQO-GOSISDBHSA-N 325.452 4.485 0 40 EIAB CC(C)(C)NC(=O)COc1ccc(Cl)cc1Cc1ccccc1 23658551 QDJVPUZOSADYAK-UHFFFAOYSA-N 331.843 4.224 0 40 EIAB CN1c2ccccc2C(=O)N[C@@H]1c1ccccc1OCc1ccccc1 24098520 NISUOLAUDSNAAX-NRFANRHFSA-N 344.414 4.144 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3)cc2c1 27390650 BSYQXBGAKMQYHW-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1C 27663762 CLAKEVHGTSDFJV-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cccs3)c2C)c1 28247434 FMDQAEJSLFTTCV-UHFFFAOYSA-N 325.437 4.170 0 40 EIAB Nc1nc(NCc2ccccc2)nc(-c2ccc(Cl)cc2Cl)n1 32519478 YFRRMWWTCPWBKV-UHFFFAOYSA-N 346.221 4.040 0 40 EIAB C[C@@H](OC(=O)Cc1ccccc1F)C(=O)C12CC3CC(CC(C3)C1)C2 32876716 DVKWUJRJZFRGIG-BUBBNXEVSA-N 344.426 4.085 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 34867694 WQTKINSRLOIMFR-MELADBBJSA-N 328.378 4.476 0 40 EIAB CCn1cc(C(=O)N[C@H](C)c2sc(C)nc2C)c2ccccc21 40157758 RFTWPBLSWYGCNC-GFCCVEGCSA-N 327.453 4.226 0 40 EIAB CCOC(=O)c1csc(-c2ccc(Br)cc2C)n1 40448722 JUFOENVERKCIMY-UHFFFAOYSA-N 326.215 4.058 0 40 EIAB COc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 40913188 PFBBXVQFYRKITF-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB COc1ccc(C(=O)N(C)Cc2cscn2)cc1-c1ccccc1 50345999 HLRDBNAUNQKYMG-UHFFFAOYSA-N 338.432 4.091 0 40 EIAB Cc1cc(C)n(-c2nc3c(N4CCC(C)CC4)cccc3s2)n1 57328228 USWPTMJGMUUKOA-UHFFFAOYSA-N 326.469 4.335 0 40 EIAB O=C(Nc1ccccc1)c1cccc(CN2CCc3ccccc3C2)c1 58357877 DYPTVUYFCBBAAY-UHFFFAOYSA-N 342.442 4.497 0 40 EIAB CC(C)(C)c1cccc(OCC(=O)Nc2ccnn2C2CCCC2)c1 58872172 XGSWHPWITPFJCH-UHFFFAOYSA-N 341.455 4.313 0 40 EIAB Cc1csc(-c2ccc(NC(=O)CCc3nccs3)cc2)n1 65626305 AIQXVFYTIRNCDL-UHFFFAOYSA-N 329.450 4.146 0 40 EIAB Cc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c(O)c1 68466627 ISEJNYOKTNBXRW-UHFFFAOYSA-N 334.419 4.202 0 40 EIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 69900785 KTYVXFQVIQOKJT-GBESFXJTSA-N 339.410 4.302 0 40 EIAB O=C(C1CCC(n2cccc2)CC1)N1CCCC[C@@H]1c1nccs1 72285961 CQODMJBNYHTRJI-OFLPRAFFSA-N 343.496 4.430 0 40 EIAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2Cc2ccccc2)n1 72376751 IHRLAUPZUQJSGR-HXUWFJFHSA-N 344.462 4.453 0 40 EIAB COc1ccc(-c2nc(Cl)cc(-c3cccc(OC)c3)n2)cc1 78401227 PTJZZVHVZYHOTM-UHFFFAOYSA-N 326.783 4.481 0 40 EIAB Cc1csc(SCC2CCN(C(=O)c3ccsc3)CC2)n1 90608127 IMDNWZSVZUYQJD-UHFFFAOYSA-N 338.523 4.158 0 40 EIAB COc1ccccc1CC(=O)NC1c2ccccc2Oc2ccccc21 95393039 DRAJONGRKFYGSM-UHFFFAOYSA-N 345.398 4.249 0 40 EIAB COC(=O)Nc1ccc(CN[C@H](C)c2cnc3ccsc3c2)cc1 95420447 GZBURGLAWMAMPI-GFCCVEGCSA-N 341.436 4.325 0 40 EIAB Cc1cc([C@H](C)NCc2ccc(-n3ccnc3C)nc2)c(C)s1 95420602 WXPQCUQOTUIGKA-ZDUSSCGKSA-N 326.469 4.105 0 40 EIAB Cc1ccc(NCc2cccc(-c3ccncc3)c2)cc1C(=O)N(C)C 95429329 FCSOHWWSOFJRJN-UHFFFAOYSA-N 345.446 4.371 0 40 EIAB C[C@@H](NC(=O)c1cnoc1-c1ccccc1)C(C)(C)c1ccccc1 95451519 ZDSRQEJKXNKODZ-OAHLLOKOSA-N 334.419 4.438 0 40 EIAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccc2c(c1)ncn2C 95477234 PMAMLNBYHIRBHN-UHFFFAOYSA-N 334.832 4.059 0 40 EIAB COc1cc(F)ccc1-c1ccnc2nc(CCC3CCCC3)nn12 95477995 JRJUQVIGKAFKOM-UHFFFAOYSA-N 340.402 4.062 0 40 EIAB COC[C@@H](N[C@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 95968163 CZPSIDRYUDOPTP-BDJLRTHQSA-N 342.336 4.278 0 40 EIAB C[C@H]1C[C@H](C(=O)Nc2ccccc2CN(C)C2CCCCC2)CCO1 95988708 LXUSBTLCHVUBAI-DLBZAZTESA-N 344.499 4.205 0 40 EIAB Fc1ccc(CN2CCC3(CC2)C[C@H](Oc2ccccc2)CO3)cc1 96221818 NGPURGYCPNXKFF-FQEVSTJZSA-N 341.426 4.028 0 40 EIAB Cc1nn(C)c(C)c1C[C@@H](C)N[C@H](C)c1ccc(OC(C)(C)C)cc1 97143469 ZBIZWGDBOBWZJX-HUUCEWRRSA-N 343.515 4.496 0 40 EIAB CCCCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 101110504 MPACTYXRBYJAIV-SFHVURJKSA-N 347.418 4.154 0 40 EIAB CSc1cccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)c1 101833237 RWVNBGPLMPDLTB-UHFFFAOYSA-N 337.448 4.179 0 40 EIAB Cc1ccc(F)c(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c1 195559127 CYNISBZTGKLFHY-OAQYLSRUSA-N 325.836 4.278 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C(C)C)N21 222704384 OVGICUDSZNVISO-JCGIZDLHSA-N 340.496 4.443 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222863532 OBLOIEJUFGRTNH-MSOLQXFVSA-N 339.435 4.263 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(F)cc1 223146692 PBOQIWPCWPKCFD-LSDHHAIUSA-N 341.426 4.349 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227405 DHVXPTLCKCPPHI-IFXJQAMLSA-N 341.426 4.349 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2)cc1 224923958 UYQHVQNVLQSHLJ-LJQANCHMSA-N 338.451 4.391 0 40 EIAB CC(C)OC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1 225448890 OXUJCWKVKJOHSK-OAHLLOKOSA-N 326.440 4.267 0 40 EIAB CC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1 225671473 WXSGSVSULOLBLL-UHFFFAOYSA-N 342.247 4.230 0 40 EIAB COCCC1(NC(=S)Nc2ccc(OC(C)C)cc2)CCCC1 225867309 WUWXHCCCLINFEO-UHFFFAOYSA-N 336.501 4.110 0 40 EIAB C[n+]1cc(Br)cc(-c2nc3c(Cl)cccc3s2)c1 226776905 SDTSPHLXQLVPRW-UHFFFAOYSA-N 340.653 4.204 0 40 EIAB CC(C)c1ccc(CCCNC(=O)c2cccc(-n3ccnc3)c2)cc1 522731950 OERZUUVQTZJLGY-UHFFFAOYSA-N 347.462 4.358 0 40 EIAB O=S(=O)(c1cccc2ccccc12)N1CC[C@H](c2cccs2)C1 828391892 UIDKWHZGRXRMHH-HNNXBMFYSA-N 343.473 4.080 0 40 EIAB C[C@H]1C[C@@H](Nc2nc(-c3ccnc(C(F)(F)F)c3)cs2)CCO1 1615044446 DUBWVTFDZVNMGK-ONGXEEELSA-N 343.374 4.203 0 40 EIAB CCc1nnc(C2CCN(c3nc4c(C)cccc4s3)CC2)s1 2086865972 DHENLNWQXIGWMB-UHFFFAOYSA-N 344.509 4.403 0 40 EIAB CCc1nc(SCC(=O)c2ccc(OC)cc2)c2ccccc2n1 412510 BBOZXBPFNLMAPV-UHFFFAOYSA-N 338.432 4.176 0 40 EIAB Cc1cccc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1 1340758 OHVOXORFXIGMNU-HZPDHXFCSA-N 334.467 4.495 0 40 EIAB O=C1c2ccccc2-c2cc(Br)c(Br)cc21 1705934 GCGKGYMIJKRCGD-UHFFFAOYSA-N 337.998 4.423 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 2641558 PNFZBMDYEHHAIE-UHFFFAOYSA-N 327.409 4.348 0 40 EIAB Cc1cc(C)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)n1 3224634 GCNLRBJOMZBQDR-UHFFFAOYSA-N 327.236 4.375 0 40 EIAB CCc1nnc(NC(=O)c2oc3ccccc3c2COC(C)C)s1 3398296 VSTQBCZBHBFMPV-UHFFFAOYSA-N 345.424 4.024 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc12 3558447 VWQONLLEZIECHP-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 4815033 JKKNLEXRYRIDQC-OALUTQOASA-N 346.434 4.064 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 4902232 OAZFFWFCUYKYTM-FQEVSTJZSA-N 338.451 4.473 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 5793792 WENALXYEFUIXMP-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 5938643 SKXCPWGGHRFPHU-UHFFFAOYSA-N 328.437 4.228 0 40 EIAB S=C(NCc1ccccc1)NC(c1ccccc1)c1ccccc1 5947014 IHEVFKHZZIGTCJ-UHFFFAOYSA-N 332.472 4.440 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)COc1cccc2ccccc12 6053078 VKKWKSRKRFJXQK-KRWDZBQOSA-N 333.431 4.356 0 40 EIAB Cn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1 6140323 ZLKHPKNZMMXNTB-UHFFFAOYSA-N 348.431 4.429 0 40 EIAB Fc1cc(Br)ccc1NC(=S)NCc1ccccc1 6332734 SROJBDYWTIXQBM-UHFFFAOYSA-N 339.233 4.075 0 40 EIAB COc1ccc(C)cc1NC(=O)c1csc(-c2cccs2)n1 7920230 BZBVRLYSOSZEDC-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 8033966 RAXOHPYTWJPTPZ-GFCCVEGCSA-N 333.790 4.319 0 40 EIAB O=C(COc1cccc2cccnc12)N1CCC[C@H]1c1cccs1 8157372 HYJPFOOGANXJOA-HNNXBMFYSA-N 338.432 4.039 0 40 EIAB Cc1ccccc1-n1c(C)nnc1SCc1nc2ccccc2o1 8366523 UZIUGDSOTIXRGV-UHFFFAOYSA-N 336.420 4.318 0 40 EIAB CCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107356 UIVGYMBBFQMMPY-UHFFFAOYSA-N 336.435 4.295 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCCCCCC2)c1)c1cccs1 9155906 LBXVGRVRLZPGSP-UHFFFAOYSA-N 342.464 4.407 0 40 EIAB CN(Cc1ccccc1Br)C(=O)c1cc2ccccc2o1 9255269 NUJAVZAYKLWOEG-UHFFFAOYSA-N 344.208 4.468 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 9489315 NIMZTCDYWMBBGJ-CYBMUJFWSA-N 336.391 4.213 0 40 EIAB O=C(Oc1cccc2c1CCC2=O)c1cc(F)c(Cl)cc1Cl 11224477 RYEOSDAYGNRABT-UHFFFAOYSA-N 339.149 4.481 0 40 EIAB CCCCCC[C@@H](C)NC(=O)N1CCN(c2ccccc2C)CC1 12545597 UWHHNILHBRNKPY-GOSISDBHSA-N 331.504 4.186 0 40 EIAB Cc1ccc(F)cc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 12877763 BFIIARUIANIZGX-CQSZACIVSA-N 344.455 4.464 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1 15603176 OIBHBSJCDHLLGQ-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 18143301 PHMRMSTXSJCVFT-XFKLWTPLSA-N 327.468 4.254 0 40 EIAB Fc1ccc([C@@H]2COC[C@H]2NCc2ccccc2C(F)(F)F)cc1 19349566 VFCWPRZBGHHDKZ-DOTOQJQBSA-N 339.332 4.117 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 20107028 GKNKNXUPQJRSNS-INIZCTEOSA-N 343.492 4.423 0 40 EIAB OCc1cc(Br)ccc1OCc1ccc(F)cc1Cl 20298035 INBGLQWJJZATNV-UHFFFAOYSA-N 345.595 4.313 0 40 EIAB Fc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 20947967 DMJHDKHGWYBGEL-AWEZNQCLSA-N 329.400 4.274 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCC1=CCCCC1 22236345 KEKQOTMXFYOGSG-UHFFFAOYSA-N 342.414 4.420 0 40 EIAB CC(C)CC(=O)Nc1ccc(Nc2ncnc3sccc23)cc1 25523464 IAVUAJRZTUNZBQ-UHFFFAOYSA-N 326.425 4.420 0 40 EIAB COCc1nn2c(-c3ccccc3)ccnc2c1-c1ccc(OC)cc1 28187661 RDCKPHHYKGBEIA-UHFFFAOYSA-N 345.402 4.218 0 40 EIAB CC(C)(C)C1CCC(C(=O)Nc2nnc(-c3ccncc3)s2)CC1 28304056 YTYZATFHUBLMRF-UHFFFAOYSA-N 344.484 4.391 0 40 EIAB C[C@H]1CC(=O)c2c(OCC(=O)N(C)C3CCCCC3)ccc(Cl)c21 31871373 DJZGQGJJJMEUDG-LBPRGKRZSA-N 349.858 4.200 0 40 EIAB Cc1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)o1 32329940 ZDOJNERJOKZIRJ-UHFFFAOYSA-N 347.469 4.105 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1csc2c1CCCC2 32844981 DDKSOERKHXXIHS-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB CC[C@@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(OC)cc1 40012139 AEFWAZPKCOPZCO-QGZVFWFLSA-N 341.386 4.125 0 40 EIAB CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 52990899 RLYMKQJXZXXIMS-UHFFFAOYSA-N 338.451 4.156 0 40 EIAB OCc1ccc(OCc2cccc(Cl)c2)c(Br)c1 62703375 DKIYTSJDRHWETH-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB CC[C@H](c1nnc(SCC(C)C)n1-c1ccc(OC)cc1)N(C)C 66316894 ZMWWUSNXOGZTJL-MRXNPFEDSA-N 348.516 4.037 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2C[C@@H]2c2ccco2)c1 69415472 UOPURNNMQRNHLG-PMACEKPBSA-N 346.430 4.316 0 40 EIAB Cc1cc(C(=O)N(C2CC2)[C@@H](C)C(C)C)c(C)n1-c1cccnc1 69465462 VZIWKFCIAVFGMK-HNNXBMFYSA-N 325.456 4.138 0 40 EIAB Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCc1cscn1 71899363 WTNWVAKZULRSKI-UHFFFAOYSA-N 345.468 4.007 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccc(F)cc2)n1 78026379 ZAYPCRYWMBUPLH-UHFFFAOYSA-N 338.386 4.091 0 40 EIAB CC[S@](=O)c1ccccc1NC(=O)c1oc2ccc(C)cc2c1C 80344469 NHWFLJUACQMTLL-XMMPIXPASA-N 341.432 4.429 0 40 EIAB Cc1cc(=O)c(C(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c[nH]1 81291319 QBXYCRVIGYVFDW-HNNXBMFYSA-N 346.430 4.202 0 40 EIAB COc1ccccc1-c1noc(Cn2c(C3CC3)nc3ccccc32)n1 83982742 MFXZAFKALDAFHI-UHFFFAOYSA-N 346.390 4.021 0 40 EIAB NC(=O)c1ccc(OC(=O)/C=C/c2cccc(-c3ccccc3)c2)cc1 84562762 SZCPZXHVQXOSKC-NTEUORMPSA-N 343.382 4.071 0 40 EIAB CSc1ccccc1C(=O)c1ccccc1CN1CCSCC1 85651646 IBYGEEMILNRZHE-UHFFFAOYSA-N 343.517 4.188 0 40 EIAB Clc1cccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)c1 89643668 WHATYWGBSNSUHF-NSHDSACASA-N 333.800 4.365 0 40 EIAB CC(C)(C)c1nc(CNCc2cc(F)cc3cccnc23)cs1 89725262 FNEMQTWKNFXHPS-UHFFFAOYSA-N 329.444 4.418 0 40 EIAB Cc1cccc(C[S@](=O)C[C@@H](O)c2ccc(Cl)cc2Cl)c1 95946411 NIIWFFALYVEZLF-IIBYNOLFSA-N 343.275 4.284 0 40 EIAB C[C@@H](NCc1ccc(F)cc1)c1onc(-c2ccccc2)c1C(=O)O 96296884 KDUBWKBKFQDLJC-GFCCVEGCSA-N 340.354 4.030 0 40 EIAB biogenic,in-vitro CCOc1cc2c(cc1NC(=O)/C=C\c1ccc(C)s1)O[C@@H](C)C2 96926061 QAJLDEYXBPICCH-KRZKBDHCSA-N 343.448 4.431 0 40 EIAB COc1ccc2oc([C@H](C)NCc3nnc(C4CCC4)o3)c(C)c2c1 195561406 DSGFHNWSXMBWHF-LBPRGKRZSA-N 341.411 4.251 0 40 EIAB CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2)cc1 219493032 HIQWUSHEQRANNG-KRWDZBQOSA-N 325.452 4.326 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)Cc1cccc(Br)c1 225622869 HYHZJEVSJGHDJO-ZDUSSCGKSA-N 332.241 4.177 0 40 EIAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(-n2cccc2)cc1 225656195 QCVDASMDXMXFCK-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257288143 PTAJDEOMMINYGT-IBGZPJMESA-N 347.418 4.028 0 40 EIAB Cc1ncc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)n1C 570293957 SXLUXYHQSUNLCV-QGZVFWFLSA-N 348.288 4.122 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1cc(-c2ccoc2)cs1 1775969691 GMPWXFRAGPSICE-UHFFFAOYSA-N 347.823 4.357 0 40 EIAB COc1ccc(C(=O)NCc2cc(-c3ccoc3)cs2)cc1F 1775969888 QQQBUGMOQOODCT-UHFFFAOYSA-N 331.368 4.086 0 40 EIAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccccc1 412525 PQBBHXNPRFBFCR-UHFFFAOYSA-N 335.432 4.238 0 40 EIAB CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 427691 BSUNLLCMKZGFRQ-SWLSCSKDSA-N 325.408 4.191 0 40 EIAB Cc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)o1 1465802 GDUFNFVJXGKNQI-UHFFFAOYSA-N 339.420 4.065 0 40 EIAB O=S(=O)(NC1CCC(CC2CCCCC2)CC1)c1ccccc1 1673982 MXWYKEFJBJHRQS-UHFFFAOYSA-N 335.513 4.494 0 40 EIAB CCOC(=O)CCCCCC(=O)c1ccc(C)c(Br)c1 2518023 QEXXJTDLURGZDB-UHFFFAOYSA-N 341.245 4.454 0 40 EIAB CCc1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12 3077606 LSNDYZVZGXDZCK-KRWDZBQOSA-N 346.430 4.192 0 40 EIAB Cc1ccc(-n2nc(C)c3c(C(=O)O)cc(-c4ccccc4)nc32)cc1 3220568 WZTUEUPFBCQGES-UHFFFAOYSA-N 343.386 4.403 0 40 EIAB CSc1ncccc1C(=O)OCc1csc(-c2ccccc2)n1 3275866 MMUCUDQDHWSJIU-UHFFFAOYSA-N 342.445 4.284 0 40 EIAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1 4078297 BUWUWOUNNWSMER-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COc1ccccc1Cl 4317323 ZRALWSXXWMBLDO-CQSZACIVSA-N 325.880 4.123 0 40 EIAB C[C@@H](CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccccc1 4560016 YDNCPBIAETXBMS-LBPRGKRZSA-N 342.464 4.431 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)c(C)c1 4593250 CWSOSCYIFYAMMI-QEUPLWARSA-N 345.442 4.233 0 40 EIAB CCc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376244 LWCHQKUKMASJCM-YBEGLDIGSA-N 325.389 4.196 0 40 EIAB CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 5597618 LGOBGUDEHHJNNV-PTTWRRFTSA-N 331.456 4.192 0 40 EIAB CCOc1ccc(/C=C\C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5673363 WSOYRFHPKJQNTM-YVMONPNESA-N 325.452 4.184 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)o1 6313266 JSASTBJTZCIZFO-UHFFFAOYSA-N 346.433 4.302 0 40 EIAB O=C(NCCCSc1ccccc1)c1cnc(Cl)c(Cl)c1 6510138 MKTKHIUHSAHSIA-UHFFFAOYSA-N 341.263 4.301 0 40 EIAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 6629580 PEJTXBGFRIEPKJ-FOWTUZBSSA-N 326.421 4.232 0 40 EIAB Cc1ccc(NC(=S)NCC(C)(C)N2CCCCC2)cc1Cl 6948373 PVMCSXJLPRSQBN-UHFFFAOYSA-N 339.936 4.199 0 40 EIAB Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C 7053060 RQGLSJZCIIOOAU-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB c1ccc(-c2cc(CSc3nnc(C4CC4)n3C3CC3)no2)cc1 7550858 PBEKABYUUJQHMD-UHFFFAOYSA-N 338.436 4.438 0 40 EIAB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1C1CC1 7886287 QKUWOGOLEUBRFD-MRXNPFEDSA-N 343.224 4.178 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1C 8023866 DDDIJQWMJDFSJP-VQIMIIECSA-N 342.439 4.377 0 40 EIAB C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 8328011 WMWYZMLROOAAOI-INIZCTEOSA-N 337.444 4.393 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cc1 8906795 IMRDLYFNSFXCTK-UHFFFAOYSA-N 325.408 4.254 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N2CCCC2=O)c1 9455073 UXSTUESDLRMGPS-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cccs1 9479666 AEADGQAZDAEKTC-GFCCVEGCSA-N 340.404 4.084 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)Nc1nc2ccccc2s1 9711640 IDIAADRSMYAXGG-NSHDSACASA-N 327.409 4.188 0 40 EIAB Cc1cc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)o1 10283807 IDAXBISCSUAJLH-XXWNAHEMSA-N 330.424 4.227 0 40 EIAB COc1ccc(CNc2nc(-c3ccccc3)c3ccccc3n2)cn1 12595004 MJWDLLNBRKNCTB-UHFFFAOYSA-N 342.402 4.313 0 40 EIAB CN(C)/C=C(\C(=S)N(C)C)c1ccc(Oc2ccccc2)cc1 12861127 FUKSYUDCYOLLAT-JXAWBTAJSA-N 326.465 4.270 0 40 EIAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 12937781 LDXJXTAUIIMCSE-UHFFFAOYSA-N 334.423 4.450 0 40 EIAB Cc1nc(Nc2ccc(F)cc2)nc2c1ncn2-c1ccc(F)cc1 13364817 GLTIEIIKWGFKOQ-UHFFFAOYSA-N 337.333 4.146 0 40 EIAB COc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)c(C)s2)cc1 14102779 FETIRSRHYMKXFR-UHFFFAOYSA-N 342.420 4.023 0 40 EIAB O=C(COc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 16709629 ZZPIVMYGECLFQH-HNNXBMFYSA-N 333.840 4.072 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccco2)c1 22526026 CJLXXXVEBURBRP-INIZCTEOSA-N 347.480 4.022 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 22763588 BVZJNRTVFVITJB-LEWSCRJBSA-N 349.780 4.345 0 40 EIAB O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccc[nH]1 22978247 MWWKROCDSDGACU-UHFFFAOYSA-N 345.826 4.296 0 40 EIAB Cc1nn(-c2ccccc2)c2nc3nn(-c4ccccc4)cc3cc12 26466090 ZTWGLLNSLMPSKB-UHFFFAOYSA-N 325.375 4.068 0 40 EIAB COc1ccccc1OCC(=O)Nc1ccc(OC2CCCC2)cc1 29024725 HFWSCNIAGFHWLC-UHFFFAOYSA-N 341.407 4.034 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)no1 31158738 JZSALGZXWYCIOM-IBGZPJMESA-N 337.423 4.151 0 40 EIAB Fc1cc(CSc2nnc(-c3ccco3)o2)c2ncccc2c1 31612712 JFBYJPUIXJZMCQ-UHFFFAOYSA-N 327.340 4.309 0 40 EIAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(F)c(F)c1 32845196 WMKAMUUEYFHRRJ-VHSXEESVSA-N 340.320 4.364 0 40 EIAB O=C1CCCCN1c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 32883785 BMLCTLNVSXFMFQ-FQEVSTJZSA-N 348.446 4.181 0 40 EIAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(Cl)c1Cl 32931277 JUSWHZMTRCQHPV-SMDDNHRTSA-N 330.255 4.319 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(NC(=O)c2ccccn2)cc1 35315192 LBHXSGVMJXHIEB-XHSDSOJGSA-N 349.434 4.099 0 40 EIAB CC(C)c1nc2cc(-n3c(=S)[nH]c4ccccc4c3=O)ccc2o1 36395233 HTWVLUCJPFPDCC-UHFFFAOYSA-N 337.404 4.313 0 40 EIAB N=C1NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)S1 40007240 XNBZMHMYMFTTLY-DHDCSXOGSA-N 344.823 4.058 0 40 EIAB O=C(c1ccc(Br)cc1)N1CCCc2ccc(F)cc21 40117147 URYRTDPHRSEDIA-UHFFFAOYSA-N 334.188 4.181 0 40 EIAB CCC(=O)Nc1ccc([C@@H](C)Nc2nccc(C(F)(F)F)n2)cc1 42105015 QYCOAOWYJBILSZ-SNVBAGLBSA-N 338.333 4.017 0 40 EIAB O=C(NCc1cccc(Br)c1)c1c(F)cccc1Cl 42354792 YSXLMSOQVSUVRH-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccccc2C)cc1 44848989 PUTNGCFXGFYYOO-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CCCCCOc1ccc([C@@H](C)NC(=O)c2ccco2)cc1OC 48518149 MUJXJGJVJOXOIL-CQSZACIVSA-N 331.412 4.348 0 40 EIAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccccc1C(F)(F)F 54225615 RBLMRGMJFMQHET-UHFFFAOYSA-N 349.287 4.283 0 40 EIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 59498037 CKJNHWOTTVCJCH-UHFFFAOYSA-N 338.451 4.188 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2cccc(SC)c2)cc1 71761323 UXLIDCAKLYAFFY-UHFFFAOYSA-N 332.450 4.004 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccc(F)cc2n1 71802745 WCVCCXUQBYOIRJ-LLVKDONJSA-N 340.320 4.097 0 40 EIAB CSc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1 71886846 YHNJNZYTIXXAIT-UHFFFAOYSA-N 331.456 4.343 0 40 EIAB COc1ccccc1-c1nnc(-c2cnc3onc(C(C)C)c3c2)o1 71890717 KZYGKZYZTJYJCR-UHFFFAOYSA-N 336.351 4.072 0 40 EIAB C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1C(F)(F)F 84660529 JGHBFLTVJGVMJD-QMMMGPOBSA-N 345.267 4.180 0 40 EIAB CCc1noc(C)c1NC(=O)Nc1c(C)cccc1OC(F)F 95942662 LDOMPNMFBBHGEP-UHFFFAOYSA-N 325.315 4.099 0 40 EIAB COc1ccc([C@H](C)NC[C@H](C)Cc2cccs2)cc1NC(C)=O 95968546 RUMQEPFCFYFTMR-KGLIPLIRSA-N 346.496 4.245 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(F)c(F)c1 206942874 ABDHYIDJVUXYRE-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB Nc1nnc(-c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)o1 216850427 PQJWIBTUJYBCBB-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCC1 223948233 HURGGWBIRINYBW-HNNXBMFYSA-N 343.492 4.399 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NC[C@H]2C[C@H]3CC[C@H]2C3)c1 254578822 KHZGEKXOYJUNQM-SDDRHHMPSA-N 328.403 4.428 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@H]2[C@@H](O)C[C@@]2(C)CCC[C@H]12)OCCO3 257345990 OBDZFYATKFZBLA-ZPNXQJJCSA-N 334.500 4.133 0 40 EIAB COc1ccccc1-c1ccc([C@@H](C)NCCCNC(C)C)cc1 572749271 PXPHSAIFTAOLRW-QGZVFWFLSA-N 326.484 4.401 0 40 EIAB O=c1oc2ccccc2cc1-c1csc(Nc2cccc(O)c2)n1 70757 ONHKWSZCIJFDNI-UHFFFAOYSA-N 336.372 4.366 0 40 EIAB COc1cc(O)ccc1[C@@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21 382416 WRLGZLUXEPUYJG-HXUWFJFHSA-N 335.407 4.162 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2ccncc2)n1 1397252 AIFPXANKFYDRSD-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC)C1 2749042 DPENGRWLDMVNMZ-NSHDSACASA-N 347.436 4.203 0 40 EIAB c1ccc(OCCSc2nnc(NC3CCCCC3)s2)cc1 3292647 NHNKBDLETITBPY-UHFFFAOYSA-N 335.498 4.454 0 40 EIAB CC(=O)[C@H](Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 3846267 MLDOKSZBQXTHTP-JOCLIGHLSA-N 330.468 4.438 0 40 EIAB biogenic O=C(Nc1ccc(Cl)cn1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 4492326 LCCCEXQBOUOSBL-QWHCGFSZSA-N 341.625 4.261 0 40 EIAB CCN(CC)C(=O)SCC(=O)Nc1ccc2c3c(cccc13)CC2 4520447 ZXZOMVFXFOAYHF-UHFFFAOYSA-N 342.464 4.072 0 40 EIAB Fc1ccc(NC(=S)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 4889224 LKWCXIJEEWAWLC-UHFFFAOYSA-N 343.402 4.201 0 40 EIAB COc1cccc(NC(=O)c2ccc(COc3cccc(C)c3)o2)c1 5032873 YHNRQIVCLCYKMN-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 6232070 CBRVKCASGRSMSY-QGZVFWFLSA-N 349.352 4.278 0 40 EIAB CC(=O)c1sc(NC(=O)Cc2ccsc2)nc1-c1ccccc1 6235324 OUCFMTAEFNFWHX-UHFFFAOYSA-N 342.445 4.255 0 40 EIAB CCSc1nnc(NC(=O)CCCc2c[nH]c3ccccc23)s1 6510076 LZZQBKFTXWGVLT-UHFFFAOYSA-N 346.481 4.093 0 40 EIAB C[C@@H]1CCCC[C@@H]1NCC(=O)NC(c1ccccc1)c1ccccc1 6586216 GGOGYURSJVAMOY-XLIONFOSSA-N 336.479 4.061 0 40 EIAB CCOc1ccc2nc(NC(=O)c3cc(F)cc(F)c3)sc2c1 6650206 CCHCIYYAFRGDKB-UHFFFAOYSA-N 334.347 4.226 0 40 EIAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2ccccc2c1 8036295 JGVPNQWNNOJSRH-UHFFFAOYSA-N 333.387 4.232 0 40 EIAB CN(Cc1cccnc1)c1ncnc2sc(-c3ccccc3)cc12 8052327 FQPOPDCAUZXCCN-UHFFFAOYSA-N 332.432 4.390 0 40 EIAB O[C@@H](CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 8118219 DGWSKKLWQXQCDE-SFHVURJKSA-N 338.476 4.209 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 8371564 YJPCUGQFCLDNCD-LICLKQGHSA-N 334.400 4.103 0 40 EIAB CC(C)CC[C@]1(CCNCCCN(C)C)CCO[C@@H](C(C)C)C1 9530619 QUDBQDYIZVMSGS-UXHICEINSA-N 326.569 4.175 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(C4CC4)nc4onc(C)c34)ccc2o1 9709847 JRYOFMYLSMNRIY-UHFFFAOYSA-N 348.362 4.111 0 40 EIAB CN(C)Cc1ccccc1CNC(=O)Nc1cccc2ccccc12 11006079 GTLDGOCCLKMTEG-UHFFFAOYSA-N 333.435 4.223 0 40 EIAB COc1ccc(C2(NC(=O)c3c(C(C)C)noc3C)CCCC2)cc1 12197688 ORJRFIGPMNSDKX-UHFFFAOYSA-N 342.439 4.314 0 40 EIAB Cc1ccc(C)c([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 12592558 HPZIMOKHXZNBFJ-JXFKEZNVSA-N 336.435 4.049 0 40 EIAB Cc1nn2c(nc(Nc3ccc4[nH]ncc4c3)c3ccccc32)c1Cl 12691537 KSHBWATZRRNAEK-UHFFFAOYSA-N 348.797 4.464 0 40 EIAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(N)=O)CC[C@H](C)C3 12749049 FKFVPUGJLUFIRM-NSHDSACASA-N 336.460 4.495 0 40 EIAB Cc1cc(Cl)c(CC(=O)N2CCCc3ccccc32)c(Cl)n1 15190155 SIFIBIDIHRNTLA-UHFFFAOYSA-N 335.234 4.219 0 40 EIAB O=C(c1ccccc1)c1ccc(N/C=C2/SC(=S)N=C2O)cc1 16477004 QLNOLXORADBDRZ-GXDHUFHOSA-N 340.429 4.159 0 40 EIAB Fc1ccc([C@H]2CN[C@@H]3CCCN(Cc4cccc(Cl)c4)[C@H]23)cc1 19293412 YQGRDCTYAMQEOR-VAMGGRTRSA-N 344.861 4.199 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1C 19736713 JLTPMIAKJUHDCJ-HIFRSBDPSA-N 326.440 4.497 0 40 EIAB CCc1ccc(NCc2cc(Br)c(O)c(OC)c2)cc1 19955099 GKGADFOEALHRFW-UHFFFAOYSA-N 336.229 4.338 0 40 EIAB Cc1cccc(-c2nc(CNC(=O)c3ccc(Cl)nc3)cs2)c1 20417596 XCKLFUWHPKISMU-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CN(C)C(=O)c1ccc(NCCOc2ccc(C(C)(C)C)cc2)cc1 32810880 PDSYTQIBYQLJNP-UHFFFAOYSA-N 340.467 4.177 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(Cc2ccccc2)n1 32940401 AVQHCPCJFUGTGJ-OAHLLOKOSA-N 348.471 4.254 0 40 EIAB Cc1cccc(C[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)O)c1 35141764 DDKGFWOFCUDATO-OAHLLOKOSA-N 345.826 4.229 0 40 EIAB O=C(Nc1ccon1)c1cc2occc2n1Cc1ccc(Cl)cc1 36358969 XIBRRRRFJLZNPK-UHFFFAOYSA-N 341.754 4.176 0 40 EIAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 36635803 AQAHIBGONOLWJH-MRXNPFEDSA-N 342.826 4.009 0 40 EIAB COc1ccc(SCC(=O)Nc2cccc(OC(C)C)c2)cc1 38771609 SOJSTTAGJOJXRM-UHFFFAOYSA-N 331.437 4.213 0 40 EIAB CN(Cc1ccc(-c2ccccc2)cc1)Cc1nnsc1Cl 40091296 IGSHPIJYZZTORH-UHFFFAOYSA-N 329.856 4.491 0 40 EIAB C[C@@H](N)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 40435159 OXUQPVQALZBYSG-CQSZACIVSA-N 341.418 4.455 0 40 EIAB Cc1ccccc1CCNC(=O)N1CCCCC[C@H]1c1ccncc1 43478226 SSSCOKJIBYZMHB-FQEVSTJZSA-N 337.467 4.259 0 40 EIAB O=[S@@](CCSC1=Nc2ccccc2CS1)c1ccccc1 47222238 LSBWGMOUBSSEFE-OAQYLSRUSA-N 333.503 4.462 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CCC(C)CC1 48256465 KHLBLQSWZNEYTC-UHFFFAOYSA-N 331.460 4.290 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)C1=NO[C@@H](c2ccccc2)C1 55159002 KQUZCFPRGRXXRZ-QGZVFWFLSA-N 349.415 4.266 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1 57263936 DABLQQYUHIVVNW-CQSZACIVSA-N 347.455 4.121 0 40 EIAB CCc1cc(Br)c(OC)c(C(=O)NC2CCCCC2)c1 57339407 VXHALOSVTQWTHR-UHFFFAOYSA-N 340.261 4.083 0 40 EIAB Cc1nnc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 58738784 GRGVZJWJHDWYJQ-UHFFFAOYSA-N 346.427 4.036 0 40 EIAB CC(C)c1csc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)n1 71794712 YRPZAGJZCFBYEH-UHFFFAOYSA-N 344.415 4.058 0 40 EIAB C(=C/c1nc2ccccc2o1)\c1ccc(OCCN2CCCC2)cc1 71802735 AREREGONGZYYCW-FMIVXFBMSA-N 334.419 4.473 0 40 EIAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(NC2CCCCC2)cc1 72278764 HVDALCUODWFTLZ-UHFFFAOYSA-N 326.444 4.034 0 40 EIAB O=S(=O)(Nc1c(O)cccc1F)c1ccc(C2CCCCC2)cc1 72301031 PXDHXWNMEBYXKE-UHFFFAOYSA-N 349.427 4.380 0 40 EIAB O=C(c1ccccc1F)N1CCC(CSCc2ccco2)CC1 85472403 DTHXEGMEBJFIHC-UHFFFAOYSA-N 333.428 4.204 0 40 EIAB CCC[C@H](C(=O)N1CCC(Cc2cccnc2)CC1)c1ccccc1 95457886 IHWUIQRWZANXGK-NRFANRHFSA-N 336.479 4.447 0 40 EIAB Cc1cccc(N(CC(F)(F)F)C(=O)c2cc(C3CC3)on2)c1C 95972192 SPUYYORQLCEEAY-UHFFFAOYSA-N 338.329 4.378 0 40 EIAB O=C(Cc1noc2ccccc12)NCc1ccccc1-c1ccsc1 96122934 MJZAVZWCQCWQLS-UHFFFAOYSA-N 348.427 4.415 0 40 EIAB O=C(O)CS/C(=C/c1ccc(O)cc1)c1nc2ccccc2s1 96891471 LUGKIQWYELXYNV-OQLLNIDSSA-N 343.429 4.318 0 40 EIAB CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(COC)o1)c1cccs1 97095022 SLFAXDGDIICSOL-LSDHHAIUSA-N 348.468 4.485 0 40 EIAB CCc1ccc(-n2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 100071604 SDKKCGFCTABYJZ-UHFFFAOYSA-N 347.443 4.232 0 40 EIAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ccc3c(c1)COC3)C2 102015988 SPCLUBROZBQLEJ-QZTJIDSGSA-N 344.455 4.059 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc3[nH]ccc23)s1 106945204 OGVONZFACFSWGW-LLVKDONJSA-N 328.441 4.466 0 40 EIAB CSCc1ccccc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)C 184746337 ZAVGSYCWDZQNPL-YOEHRIQHSA-N 336.501 4.122 0 40 EIAB CCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1Cl 216935394 ZQVYHMYZPLZLDQ-UHFFFAOYSA-N 328.751 4.290 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)COc1ccccc1C 219594774 MPCONXLBHRDYPC-MJGOQNOKSA-N 341.451 4.045 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccccc2F)c1 223490570 YWNQIMCMIJTJMW-LJQANCHMSA-N 343.442 4.424 0 40 EIAB CC(C)CNC(=S)Nc1ccc(N2CCCc3ccccc32)nc1 223879009 VSICRQYELWYRJU-UHFFFAOYSA-N 340.496 4.108 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)COc2cccc3ccccc23)c1 224015924 QTTXALAOBFLYSK-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(Br)c1 225471055 FPMHCOWNGCVAHF-UHFFFAOYSA-N 349.228 4.342 0 40 EIAB Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)nc1 225520348 VJDZMOIFHDESTC-UHFFFAOYSA-N 333.460 4.466 0 40 EIAB O=C(Nc1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 225706115 URVIAPUMYYMUNO-UHFFFAOYSA-N 347.418 4.310 0 40 EIAB CCOC(=O)N[C@H](CC(=O)NC1CCCCCCC1)c1ccccc1 409001436 INSXAINWVWXQGA-GOSISDBHSA-N 346.471 4.093 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CC[C@H](C)C2 127454 WIMFHBPOSVHLLH-NSHDSACASA-N 342.464 4.392 0 40 EIAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)n1 381970 ORWUNGVPEFXEBK-FQEVSTJZSA-N 345.402 4.170 0 40 EIAB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N4CCOCC4)c3c2C1 547818 FDFGRMZBWCYFJZ-CYBMUJFWSA-N 345.512 4.069 0 40 EIAB Cc1ccc2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 570239 YBTRNOQOMXVEBR-UHFFFAOYSA-N 341.461 4.040 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 2380723 DLNMLPGZHDNQEL-UHFFFAOYSA-N 332.325 4.159 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC(F)(F)F)cc1 2656676 DZUOLRKXEGWWSD-MRXNPFEDSA-N 335.325 4.393 0 40 EIAB O=C(Oc1ccccc1)c1ccc(NC(=O)c2ccccc2F)cc1 3130077 FTZNIGDWDGXLNS-UHFFFAOYSA-N 335.334 4.297 0 40 EIAB CC(=O)Nc1ccc(C(=O)COc2ccc(C(C)(C)C)cc2)cc1 3346137 LCXUVJGMRPDLHQ-UHFFFAOYSA-N 325.408 4.204 0 40 EIAB CCCOc1ccccc1NC(=O)COc1ccc(Cl)cc1C 3459064 WEOCSPCAPUILOO-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc(C)c3)nc1-2 3651704 UQCUYELXUIBFQA-UHFFFAOYSA-N 336.416 4.284 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c(C)c1 4593249 CWSOSCYIFYAMMI-VLFNSIGCSA-N 345.442 4.233 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cc(C)ccc1C 4889241 GSUWXKCOBUSRMC-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1 5153390 XJSKXISWXSXEKC-UHFFFAOYSA-N 348.446 4.072 0 40 EIAB CSCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12 5323627 OLZUMFSXVYGMLR-UHFFFAOYSA-N 340.839 4.461 0 40 EIAB O=C(Nc1ccccc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccccc1 5368364 VSAHDLMNNBPSQK-NFQUHZNNSA-N 346.430 4.092 0 40 EIAB CC(C)(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 5901245 QVMKNXDNDNOSGB-UHFFFAOYSA-N 348.402 4.159 0 40 EIAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 6789979 DVHAYIINGNHFII-IBGZPJMESA-N 343.398 4.114 0 40 EIAB COc1ccccc1-n1cnnc1SCc1ccc(Cl)cc1 6820677 GWZYHOYFKSKUBW-UHFFFAOYSA-N 331.828 4.222 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C(F)(F)F)cc1 6932768 RFRLKYIWXODZBX-KRXBUXKQSA-N 335.281 4.086 0 40 EIAB COc1ccc(SCC(=O)Nc2cc(Cl)ccc2OC)cc1 7277049 CDDPHHJEEOPEPI-UHFFFAOYSA-N 337.828 4.088 0 40 EIAB Cc1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 7528962 VUVAAQNDBXPSMP-UHFFFAOYSA-N 345.899 4.167 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2ccccc2Cl)c(C)n1 7908695 OTDGMBAHAAMGAK-UHFFFAOYSA-N 335.860 4.040 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccccc2)c1 8041649 VYDVDFNTOHHQLE-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc2ccccc2c1 8674506 XWGQFAKOTBGARD-UHFFFAOYSA-N 334.400 4.189 0 40 EIAB CCOc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1Cl 8754296 XMLUCPLZFVUDAR-UHFFFAOYSA-N 328.799 4.084 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc3ccccc3o1)O[C@@H](C)C2 8756123 BUCMECQJQOKMLP-LBPRGKRZSA-N 337.375 4.407 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 9140460 JMTNXZBZRRUSEU-UHFFFAOYSA-N 332.856 4.338 0 40 EIAB CCCn1c(NC(=O)c2cc3c(s2)CCC3)nc2ccccc21 9592920 DFHCHJXFUQSMRR-UHFFFAOYSA-N 325.437 4.249 0 40 EIAB CCOc1ccc2nc(NC(=O)/C=C/c3csc(C)n3)sc2c1 10642026 UPNFUENXTRMHNM-QPJJXVBHSA-N 345.449 4.112 0 40 EIAB CCc1cccc2c(CC(=O)N(C)[C@@H](C)Cc3ccccn3)c(C)[nH]c12 12325418 JZXNBAZZLMFNBI-HNNXBMFYSA-N 349.478 4.066 0 40 EIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 13017472 PUKLZJYNCDERNH-MRXNPFEDSA-N 342.508 4.484 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=S)NCCSc1ccccc1 17454557 GXNOTBJYKXPXMB-AWEZNQCLSA-N 348.512 4.485 0 40 EIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1F 20137729 OYNWCUVABGPTBP-UHFFFAOYSA-N 325.339 4.139 0 40 EIAB CCc1cccc(C)c1NC(=O)CNc1cccc(Br)c1 21884604 VFQSTJZWXBBXPJ-UHFFFAOYSA-N 347.256 4.371 0 40 EIAB O=C(c1ccc(COc2ccc(F)cc2F)o1)N1CCCCCC1 28227606 OYECRQSHLKVPOI-UHFFFAOYSA-N 335.350 4.153 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 29102926 PGVWDXXXJDVQML-UHFFFAOYSA-N 342.468 4.042 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 30860626 JJSUPDNQXYRQBY-GJZGRUSLSA-N 329.465 4.362 0 40 EIAB O=C(Nc1ccc(O)cc1)c1cc(-c2cccnc2)nc2ccccc12 32072124 HNIYLVPNVHOHGV-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccnc(Cl)c1 32342033 KGZBMCFMLBZNPV-SNVBAGLBSA-N 331.828 4.178 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 38771968 WTTBRTALOJGSRT-HOTGVXAUSA-N 327.424 4.038 0 40 EIAB CCOc1cc(C(=O)N2CCc3sccc3[C@H]2CC)ccc1OC 39996895 VDJRXSZRCHMCMZ-OAHLLOKOSA-N 345.464 4.305 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(C(C)C)cc1 45890067 XSRWOJSOILTSGK-UHFFFAOYSA-N 326.440 4.281 0 40 EIAB O=C(NCc1ccoc1)Nc1cccc(OCc2ccc(F)cc2)c1 47840394 FFBICJXRXBIABY-UHFFFAOYSA-N 340.354 4.319 0 40 EIAB Cc1nc(C)c([C@H](C)NC(=O)N2CCc3sccc3[C@H]2C)s1 57283655 OFZPNYLUYSOSKZ-WDEREUQCSA-N 335.498 4.211 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC(n2cccc2)CC1 60450653 RJLMMTSIEDMCCF-UHFFFAOYSA-N 347.462 4.280 0 40 EIAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2s1 65593194 VYOBOOWCSCHZDG-KGLIPLIRSA-N 338.432 4.071 0 40 EIAB COc1ccc(-c2csc(C[C@H](C)n3cc(Cl)cn3)n2)cc1 66938744 GYMMWEYZDPFXGE-NSHDSACASA-N 333.844 4.472 0 40 EIAB Cc1cc(CN(C)C(=O)Nc2cccc(-c3ccsc3)c2)no1 69389550 QPSQCGUSGQAZPS-UHFFFAOYSA-N 327.409 4.375 0 40 EIAB CN(C)c1ccccc1NC(=O)N1CC(Cc2ccccc2Cl)C1 72314293 ZVHIVPPIGAKHFY-UHFFFAOYSA-N 343.858 4.112 0 40 EIAB C[C@H](OC(=O)Cc1ccc(F)cc1F)c1cnc2ccccc2c1 89904632 HXOVOWXVTMUUNU-LBPRGKRZSA-N 327.330 4.360 0 40 EIAB C[C@H](N[C@@H](c1ccccc1)c1ccco1)c1ccc([S@](C)=O)cc1 95419544 DUAPMYXHDMWETO-IJHUGTEESA-N 339.460 4.457 0 40 EIAB CSC(C)(C)CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F 95423532 SSCZKMBUFLZEBG-LLVKDONJSA-N 348.434 4.154 0 40 EIAB Cc1nc(C(=O)Nc2nccs2)c(-c2ccccc2Cl)s1 95472896 PPOGZNFYRMPENN-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB COc1ccc(Oc2ccc(CNc3c(C)nn(C)c3C)cc2)cc1 96010135 PHJZMFVYANQIOC-UHFFFAOYSA-N 337.423 4.450 0 40 EIAB O=C(/C=C(/c1ccccc1)C(F)(F)F)N(Cc1cccnc1)C1CC1 96189993 HNNFBLUUICFTQR-BOPFTXTBSA-N 346.352 4.219 0 40 EIAB C[C@@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 109035255 HZPRINBWEYSSMZ-OAOQPFQOSA-N 331.431 4.120 0 40 EIAB COc1ccc(-c2nn3cc(-c4ccccc4)nc3s2)cc1OC 199407055 RHXYTOFFZFUWBC-UHFFFAOYSA-N 337.404 4.142 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCC1(c2ccsc2)CCCC1 217481418 IZNNWTIEJUCPBQ-OAHLLOKOSA-N 329.465 4.144 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccccc2F)CC1 224550932 FZYIEHDMPGFFAL-QGZVFWFLSA-N 348.506 4.370 0 40 EIAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c2cccnc12 225894546 DLKNDDJVEPDCBZ-FQEVSTJZSA-N 344.455 4.413 0 40 EIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 225896995 MVGUHYGFGJVNMC-LJQANCHMSA-N 330.428 4.167 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2F)cc1N 226266056 CQZYIAAIGUNXPK-CYBMUJFWSA-N 327.403 4.039 0 40 EIAB CCc1oc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C 390834227 UVSSWXTWLVXQIX-SJLPKXTDSA-N 345.414 4.282 0 40 EIAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 408594038 DOTYVXSTSOJCNF-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB Cn1c(SC(=O)c2ccccc2Br)nc2ccccc21 408659723 PFFRTABKMVHIBB-UHFFFAOYSA-N 347.237 4.268 0 40 EIAB CCCc1nc(-c2noc(C[C@@H](C)c3ccc(F)cc3F)n2)co1 554839627 NQEAEQDJHRVDFI-SNVBAGLBSA-N 333.338 4.302 0 40 EIAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(-n2cccc2)cc1 675007994 KXDIVNKMFZOYTE-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB Cc1cccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)c1 55197 ULPCMKRJROOHGA-UHFFFAOYSA-N 343.386 4.257 0 40 EIAB C[C@@H](CCc1ccccc1)N1C[C@H](COc2ccccc2)OC1=S 341040 ZKVUNPUUHDIXDI-QFBILLFUSA-N 341.476 4.072 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCCC1 413577 QMHVCFAWYUTUJD-UHFFFAOYSA-N 328.481 4.210 0 40 EIAB Cc1ccc2nc3sc(C(=O)N4CCCC[C@H]4C)c(N)c3cc2c1 422150 CBAMNAKGMMGNEM-GFCCVEGCSA-N 339.464 4.355 0 40 EIAB COc1ccccc1-c1csc(NC(=O)c2ccc(F)cc2)n1 1511578 KPVISEVCYISQFF-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB CCc1ccc(OCCCC(=O)Nc2ccc(OC)c(OC)c2)cc1 1777675 LAXMFMDYPLNVOC-UHFFFAOYSA-N 343.423 4.064 0 40 EIAB O=C1CS[C@H](C(Cl)(Cl)Cl)N1c1ccc(Cl)cc1 2042433 AABKBCFHJUQMIT-SECBINFHSA-N 331.051 4.116 0 40 EIAB Cc1ccccc1N1COc2c(cc3c(C)c(C)c(=O)oc3c2C)C1 2115940 MZANFKAIAFXEHU-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic CCCC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 2663975 WQCTUAYATPBNNW-UHFFFAOYSA-N 329.421 4.120 0 40 EIAB Cc1csc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 3289175 XYSPWIBDXZQLOI-UHFFFAOYSA-N 329.446 4.339 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3296362 OGWJKVJENAKUSY-LBPRGKRZSA-N 347.361 4.274 0 40 EIAB CSc1nc(C)c2c(n1)N(c1ccc(C(F)(F)F)cc1)CC2 4051454 BLBCSIGPOQVMIW-UHFFFAOYSA-N 325.359 4.220 0 40 EIAB C[n+]1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 4906687 STRRJQZLZTUJGF-UHFFFAOYSA-N 326.423 4.080 0 40 EIAB CCCCCC[S@](CCC)=NS(=O)(=O)c1ccc(C)cc1 4974934 SXEAYGFWFXWDTI-HXUWFJFHSA-N 329.531 4.476 0 40 EIAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 6576874 MFQYKKPLFPHEMD-NUJGCVRESA-N 349.478 4.180 0 40 EIAB CCOc1ccc(NC(=S)NCCSCc2ccccc2)cc1 7369731 OKZJVZZJWKVHML-UHFFFAOYSA-N 346.521 4.305 0 40 EIAB Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3cccn3C)c2cc1C 7854783 GXMWFBRZWCFBGK-LJQANCHMSA-N 336.435 4.085 0 40 EIAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 7928708 KBJVEJXLQQUQRT-JKSUJKDBSA-N 337.419 4.159 0 40 EIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccc(F)cc1 9419501 DCWCFPXETQGOGR-HNNXBMFYSA-N 340.379 4.472 0 40 EIAB O=C(NCc1ccccc1Cl)c1c[nH]c(=S)n1-c1ccccc1 12534488 NGBOIUJYBGUDQU-UHFFFAOYSA-N 343.839 4.118 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)CCC2 14113683 IMHRXUSGQVHONB-UHFFFAOYSA-N 335.432 4.255 0 40 EIAB COCc1c(C(=O)Nc2cccc3cccnc23)oc2ccccc12 14200406 QSROYFVMEKPDAG-UHFFFAOYSA-N 332.359 4.380 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 16086526 HRGLUQIBHSTGQV-MRVPVSSYSA-N 336.265 4.094 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 17167371 QPPYTYFZOIVCLI-KBPBESRZSA-N 332.444 4.152 0 40 EIAB Fc1ccc(-c2c[n+](Cc3ccc(Cl)cc3)c3n2CCC3)cc1 17208032 LGXCEXVZSPVMJN-UHFFFAOYSA-N 327.810 4.230 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 17302751 WSJZVMKLWYEQIF-UHFFFAOYSA-N 328.755 4.297 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CSCc2ccccc2)cc1 20108687 SAOYHDAAJICFBD-UHFFFAOYSA-N 329.465 4.023 0 40 EIAB COc1c(C)cccc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20143046 HWSGBLUXHOQGFN-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)N3CCCC3)ccc21 23865497 GOHXQIAVVAYAQQ-HNNXBMFYSA-N 335.451 4.237 0 40 EIAB CCC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 28228795 PEJCNIDUGFYPSV-UHFFFAOYSA-N 342.226 4.192 0 40 EIAB Cc1nn(Cc2cccc(C(=O)N3CCCCCC3)c2)c(C)c1Cl 28236802 ORULIWMVZRIMGK-UHFFFAOYSA-N 345.874 4.218 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1cccnc1SCC(F)(F)F 32907864 ABPZNVXLNUGNID-CMPLNLGQSA-N 332.391 4.045 0 40 EIAB COc1cc(OC)c(NC(=O)N[C@H](C)c2ccccc2)cc1Cl 40103519 KCAPNFMRTRNFGS-LLVKDONJSA-N 334.803 4.240 0 40 EIAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Cl)cc1 45888995 ABVZZLMERPGVJO-UHFFFAOYSA-N 331.828 4.401 0 40 EIAB c1ccc([C@@H]2c3cccn3CCN2Cc2cc(-c3ccco3)on2)cc1 48364373 OHGQVDJTJHNUCT-OAQYLSRUSA-N 345.402 4.341 0 40 EIAB Nc1c(C(=O)Nc2cccc(Br)c2)oc2ccccc12 53944055 ACYFYJKHJMBONO-UHFFFAOYSA-N 331.169 4.030 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c(C)c1 64982958 TXEDGEWLAQEQCZ-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1 65563999 KQPLJPLDBPQFIU-ZJUUUORDSA-N 331.363 4.133 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1 67024742 LAEZNIWVWJBZCD-IAGOWNOFSA-N 327.403 4.270 0 40 EIAB O=C(NC(c1cccs1)c1cccs1)[C@@H]1C[C@H]1c1cccnc1 71915265 AZGHLNJRCXUBQZ-UONOGXRCSA-N 340.473 4.214 0 40 EIAB CN(Cc1cccc(O)c1)C(=O)C(c1ccccc1)c1ccccc1 72004825 FUBUEJZOEJNFNE-UHFFFAOYSA-N 331.415 4.183 0 40 EIAB CC(C)c1nc([C@H]2CCCN(C(=O)C[C@H](C)c3ccccc3)C2)no1 72232232 LRDOKESKKGJKOW-RDJZCZTQSA-N 341.455 4.093 0 40 EIAB CC(C)c1nc(CC(=O)N(CC2CCC2)CC(F)(F)F)cs1 72314245 JZAUAOYBPKNRCX-UHFFFAOYSA-N 334.407 4.000 0 40 EIAB c1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333526 WGYDKCCUMPDLBJ-UHFFFAOYSA-N 336.464 4.321 0 40 EIAB CC(C)n1c([C@H]2CCCN(C(=O)c3ccoc3)C2)nc2ccccc21 74072241 LGMMGSUWNOORCR-HNNXBMFYSA-N 337.423 4.230 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N1CCC(c2cccs2)CC1 75157046 ZKRXDYXQZIWMIJ-UHFFFAOYSA-N 338.432 4.423 0 40 EIAB CCc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 75359551 WMNZKPADULRMAK-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc(OC(C)C)c2)cc1OC 78536722 XYEAXPPPQOVYBF-PKNBQFBNSA-N 341.407 4.143 0 40 EIAB O=C(Nc1[nH]ncc1-c1ccccc1Br)c1ccsc1 79002028 PCGFYZZZSLKBMH-UHFFFAOYSA-N 348.225 4.153 0 40 EIAB Cc1nc([C@@H](N[C@@H]2CCSc3ccccc32)c2ccccc2)n[nH]1 95421723 YAKJTIOGGFUHPK-AEFFLSMTSA-N 336.464 4.029 0 40 EIAB CCc1ccccc1NC(=O)N1CC[C@@H](OC)[C@@H]1Cc1ccccc1 96261274 YMTFKVVGIDLKMS-VQTJNVASSA-N 338.451 4.113 0 40 EIAB C[C@@]12C=C3C[C@H](OC(=O)c4ccccc4)CC[C@@]3(O1)c1ccccc12 104191519 VWKAYLAMUFEYKZ-WTNAPCKOSA-N 332.399 4.477 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 113945923 NLDTXTBXDRAEBH-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)cc1 113959736 OFIASNFBSGUOAE-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cnccn1 182862059 BOFJMOWBTIQIIZ-HNNXBMFYSA-N 339.443 4.058 0 40 EIAB CSc1cc(C)ccc1CNC(=O)c1ccncc1C(F)(F)F 193106799 MUEVUZPOXZQKGO-UHFFFAOYSA-N 340.370 4.061 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224153830 XGRKUMUBBPAOGI-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 224219883 VRIAVZVKQIKNDZ-RTBURBONSA-N 348.475 4.204 0 40 EIAB Cc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224926770 UAQDEATWBOBYMG-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB CCC(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225257098 ORPZNBMNRWUPNZ-MHWRWJLKSA-N 345.493 4.039 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225360388 LVSJNFJLUUGJQH-UHFFFAOYSA-N 341.407 4.135 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)cc2)o1 252581878 UKISCLLGHDCSJC-SRCQZFHVSA-N 340.427 4.230 0 40 EIAB CCOc1ccccc1NC(=S)NCCCN1CCCC[C@H]1CC 260739995 RKJTYIKBRNAMTE-MRXNPFEDSA-N 349.544 4.026 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 310005930 VEWVNZVAZWNUDX-CYBMUJFWSA-N 329.362 4.261 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)NC1(c2cccs2)CCCC1 390827789 KEYLUWZOOKFZQO-GXDHUFHOSA-N 333.478 4.108 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)Cc2cccc(C(=O)O)c2Cl)s1 519167055 CJCGGLXFLHLWOQ-SNVBAGLBSA-N 338.860 4.305 0 40 EIAB O=C(Nc1ccccc1)c1ccc(-c2nc(CC(F)(F)F)no2)cc1 546270233 YSXCLPRHRVQKRP-UHFFFAOYSA-N 347.296 4.094 0 40 EIAB Cc1nccnc1[C@H](C)NCc1cc(Cl)ccc1Br 580713799 LEGXPEDDFZYEBX-JTQLQIEISA-N 340.652 4.052 0 40 EIAB CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1565520236 KAIWMJROBMUBAN-ROUUACIJSA-N 337.467 4.189 0 40 EIAB CC(C)C(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 241433 ZHSJWQULLGUQDL-LLVKDONJSA-N 344.069 4.220 0 40 EIAB CCc1ccc(NC(=O)c2noc3c2CCc2cc(OC)ccc2-3)cc1 426647 PFWJREYYJZLOAU-UHFFFAOYSA-N 348.402 4.264 0 40 EIAB CC(=O)c1ccc(OC(=O)CCc2nc3ccccc3s2)cc1 3284550 YQRNOXRVMVQLIK-UHFFFAOYSA-N 325.389 4.037 0 40 EIAB CCOC(=O)CSCC(=O)Nc1c(C(C)C)cccc1C(C)C 3351469 MYYLMFDQFRFRNO-UHFFFAOYSA-N 337.485 4.168 0 40 EIAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccccc1Cl 3398209 CZLALBZKKXVKRE-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1Cl 3472390 KWWSCGVBXZGXEU-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4077165 VJUZBQKOBICAAA-UHFFFAOYSA-N 335.432 4.180 0 40 EIAB Cc1ccccc1C(=O)N1CCN=C1SCc1cccc(Cl)c1 4120600 FPJWCBKYGHUPJD-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CCCCN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 4163013 GREZPSNEKXGPMM-UHFFFAOYSA-N 334.419 4.180 0 40 EIAB CC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 5168659 PSCXMQOFQNYMPF-UHFFFAOYSA-N 341.411 4.145 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2c(=O)o1 6659931 VCQKIRMTCYLYCG-UHFFFAOYSA-N 333.265 4.064 0 40 EIAB Cc1noc(C)c1COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 6945843 SYQGFGIIHZTSBM-NSHDSACASA-N 338.407 4.255 0 40 EIAB CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)s1 7248614 DJNPPYRFLXVYLA-JTQLQIEISA-N 347.469 4.182 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccc(CC)cc2)ccc1OC 8080217 IYSZEUVXWUMSAM-UKTHLTGXSA-N 325.408 4.308 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2)c(C)c1 8492485 CBKRUWIGQBQOBV-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CC(C)Cn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 9088612 JGBDZNPMGVLDLF-UHFFFAOYSA-N 334.379 4.086 0 40 EIAB O=C1C[C@H](c2ccsc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 9110659 LLAPIMWUSGGRIL-GFCCVEGCSA-N 329.812 4.266 0 40 EIAB COC(=O)c1c(C)[nH]c(C(=O)c2cc3cc(Cl)ccc3o2)c1C 11163753 AMMRCAKMCZOECL-UHFFFAOYSA-N 331.755 4.049 0 40 EIAB Cc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2ccc(F)cc12 11986081 LCFDUMDWDAFAJY-UHFFFAOYSA-N 330.384 4.468 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 12215762 GIIUPYABJLYBAF-UHFFFAOYSA-N 335.856 4.144 0 40 EIAB CCCCN1C(=O)c2cccc3c(NC(=O)c4cc(C)no4)ccc1c23 12422538 DVFPMNPAKBDZQT-UHFFFAOYSA-N 349.390 4.149 0 40 EIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(Br)c1)C2 12618215 CQAIECOEXRLLDF-HNNXBMFYSA-N 348.265 4.413 0 40 EIAB CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccn1 12655223 JBFQHJCIKLIBOK-UHFFFAOYSA-N 349.434 4.409 0 40 EIAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F 12676949 DPYLJPSTHMKXIE-XIKOKIGWSA-N 330.378 4.033 0 40 EIAB CN(Cn1ncsc1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 12733893 PIPBOSMLJHHXLS-INIZCTEOSA-N 345.468 4.492 0 40 EIAB FC(F)(F)c1nnc2ccc(Oc3ccc(Cl)c(Cl)c3)nn12 12794099 GXONTAYAAQOTHQ-UHFFFAOYSA-N 349.099 4.242 0 40 EIAB Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 13494956 BOTHSKCAVDRFPG-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB COc1cccc2cc(C(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)oc12 13692705 XPHDYYGBODTRGV-ZDUSSCGKSA-N 348.402 4.284 0 40 EIAB O=C(COc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1 14737468 GJLKQNGSRDNUJM-UHFFFAOYSA-N 346.308 4.271 0 40 EIAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccco1 17297409 RXSODPBZIMOJKP-UHFFFAOYSA-N 341.388 4.437 0 40 EIAB O=C(CCn1c(C(F)F)cc2cccnc21)Nc1ccccc1F 19349982 DVEJIGGHDVLTIU-UHFFFAOYSA-N 333.313 4.142 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(C)cc1 20454781 HUHCUFZRASRJAS-LJQANCHMSA-N 325.452 4.428 0 40 EIAB CCN(C(=O)c1cccnc1SC)c1nc2ccccc2s1 23076408 QESBCUYSGWPEJN-UHFFFAOYSA-N 329.450 4.080 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 23113969 IGXRSOSDGCCFQV-OLZOCXBDSA-N 326.362 4.061 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc2ncsc2c1 24987873 QDNIOLCYZNOHQY-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB CC(=O)c1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)s1 29674337 WLJTUIJUZIBEOB-UHFFFAOYSA-N 343.379 4.280 0 40 EIAB O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cccs1 30295756 WXVRMRGNHPJYIY-UHFFFAOYSA-N 341.407 4.396 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1 30753941 MSZRBKIKLZYXIO-OAHLLOKOSA-N 338.234 4.467 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCC1 32784658 RGKITOYTQYSSHC-UHFFFAOYSA-N 333.353 4.444 0 40 EIAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1O 32796987 WKNZMBZXCXCGHL-NWDGAFQWSA-N 344.377 4.141 0 40 EIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccoc1 32900352 IQYHMOIRDSLEIE-OAHLLOKOSA-N 348.402 4.365 0 40 EIAB O=C(NCc1ccncc1)Nc1ccc(-c2nc3ccccc3o2)cc1 43932526 YEMSZDOKSQNGDO-UHFFFAOYSA-N 344.374 4.212 0 40 EIAB Cc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 45890253 XAHPLUZKUWIOTB-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](COCc2ccccc2)C1 49031500 QIMLAMRGEHTBRT-MRXNPFEDSA-N 345.389 4.034 0 40 EIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@H]4C(=O)O 49601524 HITLMPHPGUZLGI-MOQGAEFSSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro Cc1[nH]c2ccccc2c1C1CCN(c2cnnc(O)c2Cl)CC1 52511502 ALBHNLHVKXQFSP-UHFFFAOYSA-N 342.830 4.009 0 40 EIAB Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 55895922 RLNRLXZQUPGDEN-QAPCUYQASA-N 336.435 4.175 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)c1 61719541 AKFPMZXQGFTZKE-UHFFFAOYSA-N 347.418 4.451 0 40 EIAB Cc1ccc(NC(=S)N2CCc3[nH]cnc3[C@H]2c2ccccc2)cc1 70503692 IITLSZZLGXXNRF-LJQANCHMSA-N 348.475 4.063 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1Cl 71761815 ZYJNVNMCJSQYHU-UHFFFAOYSA-N 335.860 4.224 0 40 EIAB CCc1cccc(NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)c1 72282538 LSCVHARGASBISS-UHFFFAOYSA-N 333.338 4.130 0 40 EIAB CN(Cc1cc2ccccc2o1)C(=O)NCc1csc(C2CC2)n1 83862049 TWDKCSVCYBTPPI-UHFFFAOYSA-N 341.436 4.108 0 40 EIAB CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 87141249 CEEAWLGXCIQQJA-QGZVFWFLSA-N 346.858 4.359 0 40 EIAB c1ccc([C@@H](NCc2cccc3c2OCCCO3)c2cccnc2)cc1 95349669 HHNMXEMGZODEIK-OAQYLSRUSA-N 346.430 4.122 0 40 EIAB COc1ccc(-c2nnc(CNc3cc(F)ccc3Cl)o2)cc1 95414865 JWNWJQOREIUFSO-UHFFFAOYSA-N 333.750 4.150 0 40 EIAB CCOc1cccc2cc([C@@H](C)NCC3([C@@H](O)C(C)C)CC3)oc12 95463507 VXEZLIGFOPPMRK-KUHUBIRLSA-N 331.456 4.279 0 40 EIAB CC(=O)c1csc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c1 95965450 DKXWAAIMVACZIY-MRXNPFEDSA-N 337.391 4.356 0 40 EIAB COc1ccc(C(=O)N2CCC(C)(C)c3ccccc32)cc1OC 96100832 FNLPMJNZYKPLPV-UHFFFAOYSA-N 325.408 4.032 0 40 EIAB Cc1nnc(CCC[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 97379549 UEXQRCMDDIMKMO-JLTPVHFHSA-N 347.267 4.127 0 40 EIAB CCCc1[nH]c2c(-c3ccc(Cl)cc3)c(C)nn2c(=O)c1Cl 100129940 IXBOFFNUTOUGMJ-UHFFFAOYSA-N 336.222 4.257 0 40 EIAB Cn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2ccccc21 100811276 GMWABBUQILDEDH-SDXDJHTJSA-N 337.231 4.288 0 40 EIAB O=C(Nc1c(NC2CCCC2)c2ccccc2oc1=O)c1ccccc1 101095448 JQOFLTNGPFIFSK-UHFFFAOYSA-N 348.402 4.400 0 40 EIAB Cc1csc(C2=C(O)CN(Cc3c(F)cccc3Cl)C2=N)n1 102727378 PCJRIJNGQIXEAM-UHFFFAOYSA-N 337.807 4.006 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 223372177 YAHSCJRQUJBFDC-UHFFFAOYSA-N 331.843 4.446 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 224897519 HQJODMVZWUKYLM-UHFFFAOYSA-N 326.274 4.238 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 225624977 HGIULSWEDTUDQP-UHFFFAOYSA-N 339.420 4.245 0 40 EIAB S=C(Nc1cccc(Cl)c1)NC1(c2ccccn2)CCCC1 225844623 ROMBPQXUSKICSF-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB CCn1c2c(s/c1=N\C(=O)c1cccs1)CCc1ccccc1-2 408562920 SHUUFIPATSLKHT-HNENSFHCSA-N 340.473 4.138 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 408573233 NAVYKIONYURRLD-DHZHZOJOSA-N 347.370 4.370 0 40 EIAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 408586641 OKDLMGYLUSBMFO-UHFFFAOYSA-N 332.783 4.169 0 40 EIAB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(C)C1=O 409334391 LEPKHUWOSYXVTN-MHWRWJLKSA-N 327.405 4.293 0 40 EIAB Oc1cccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1Cl 507267819 NIRSCZIWMOQVTN-MRXNPFEDSA-N 338.234 4.273 0 40 EIAB CCc1noc(C)c1CNC(=O)C12CCC(C(F)(F)F)(CC1)CC2 1615001214 OEQRZDNULNYIEN-UHFFFAOYSA-N 344.377 4.065 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(C)c1 344737 VDKRBGSGNDBMIJ-UHFFFAOYSA-N 342.439 4.111 0 40 EIAB CCOc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 521399 CISAWPXLPDTBKY-UHFFFAOYSA-N 341.436 4.146 0 40 EIAB Cc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1 529479 CIZVTWHFIJNMSA-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB O=CNc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 1405089 GRQPMAYHKOONDO-UHFFFAOYSA-N 346.415 4.231 0 40 EIAB Cc1cc(C)cc(-c2nnc3sc(Cc4ccccc4F)nn23)c1 2182932 QQQSOQFPULNVQQ-UHFFFAOYSA-N 338.411 4.200 0 40 EIAB CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21 3581974 UDLPSRLMJCBPER-UHFFFAOYSA-N 329.425 4.079 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1F 4090379 XOSVREHMXJQDKN-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB Oc1nc(Nc2ccccc2Cl)nnc1Cc1ccccc1Cl 4225149 SVKCWFHOSQOXDO-UHFFFAOYSA-N 347.205 4.218 0 40 EIAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 4355050 JBLLAFHRCVRHQJ-UHFFFAOYSA-N 343.434 4.150 0 40 EIAB Nc1c(Cl)cc(-n2c(S)nnc2-c2ccccc2)cc1Cl 5687913 NDEITAGKZABOMK-UHFFFAOYSA-N 337.235 4.112 0 40 EIAB Cc1ccc2nc(NC(=O)COc3cccc(Cl)c3)sc2c1 5815190 DHLRMCSIJFVJJW-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB Cc1nc(CSc2nnc(C3CC3)n2-c2ccccc2)cs1 6128682 URBCYMKSFGMCKH-UHFFFAOYSA-N 328.466 4.202 0 40 EIAB CCCn1c(NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 6153919 FWCCZWRYJVNCNU-UHFFFAOYSA-N 343.814 4.117 0 40 EIAB COc1cc2ncc(C(=O)c3ccc(Cl)cc3)c(C)c2cc1OC 6474186 QSWBUGIWFPXTBG-UHFFFAOYSA-N 341.794 4.445 0 40 EIAB CCCn1c(SCC(=O)NC2CCCCCC2)nc2ccccc21 6509299 KLSIKXVYVGWIBQ-UHFFFAOYSA-N 345.512 4.377 0 40 EIAB Cc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccs4)nc32)c1 6860669 PBZXIZFRCFFCPV-UHFFFAOYSA-N 349.415 4.464 0 40 EIAB Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1C 6876568 NKGBUFFAXDTYQI-UHFFFAOYSA-N 342.420 4.175 0 40 EIAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC 7059656 LCVRMUXOYFXWKF-LLVKDONJSA-N 331.437 4.142 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2cc3c(F)cccc3s2)cc1 7251095 ZBWYHWMPJOAXHR-UHFFFAOYSA-N 343.379 4.144 0 40 EIAB Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c(C)c1 7595766 PAYAGEVYKWFXQG-UHFFFAOYSA-N 335.407 4.151 0 40 EIAB C[C@]12C[C@H](NC(=S)N1c1ccc(Cl)cc1)c1cc(F)ccc1O2 8023828 DTRBABCEGJGKOA-YOEHRIQHSA-N 348.830 4.414 0 40 EIAB CCn1c(C)nc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21 8133010 UYMQIDMAYSHJCV-UHFFFAOYSA-N 336.395 4.211 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(OC(C)C)c1 8494909 RHUHTDOWIWJIOQ-KRWDZBQOSA-N 343.423 4.279 0 40 EIAB Cc1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 10139648 XNXGLXDRTRCSAV-UHFFFAOYSA-N 347.462 4.294 0 40 EIAB CC(=O)N[C@H](C)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 12401888 MHSFIOXYGXYLQP-KCXBLQSVSA-N 340.467 4.039 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2c(s1)CCC2 12907140 GDNWYUUWUBWTDH-UHFFFAOYSA-N 328.462 4.119 0 40 EIAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccco2)cc1 12945720 AKZZSVADNXGXEQ-UHFFFAOYSA-N 333.387 4.091 0 40 EIAB O=C(Cc1csc(Nc2ccccc2)n1)NCCC1=CCCCC1 16850068 VPJSAUJHBBJZMS-UHFFFAOYSA-N 341.480 4.436 0 40 EIAB Clc1ccc(-c2nc(-c3cccnc3)ncc2-c2ncc[nH]2)cc1 19341276 AVHCYGCKLIQGKV-UHFFFAOYSA-N 333.782 4.249 0 40 EIAB CCCn1nc(C)c(-c2cncn2[C@@H](CC)CN2CCCCC2)c1C 19654598 XDPRNGCYVGPDHJ-SFHVURJKSA-N 343.519 4.210 0 40 EIAB CCOc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc1 20496009 OZCZZEIUPOMTFF-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB Cc1ccccc1-c1nc2c3c(C)c(C)n(CC(C)C)c3ncn2n1 21801467 SGOAVULPCJYFCF-UHFFFAOYSA-N 333.439 4.327 0 40 EIAB COc1cccc(Nc2ncccc2C(=O)Nc2cccc(C)c2)c1 22072437 DZGQGRVVWDJEPG-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB Cc1ccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126376 LLFIVTLZGSKKKE-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C2CC2)on1 25624143 PTAIRBSIVSVWOH-SFHVURJKSA-N 332.403 4.266 0 40 EIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 26978369 ORRHVRBJDUOZKN-YJYMSZOUSA-N 342.439 4.179 0 40 EIAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccc2oc(C3CC3)nc2c1 27057925 MVEOAQMQEOGCEP-UHFFFAOYSA-N 342.395 4.069 0 40 EIAB O=C1c2ccc3ccccc3c2CC[C@H]1[C@@H]1NCCc2ccccc21 31938399 FIWNZTBJFYHZIL-FCHUYYIVSA-N 327.427 4.472 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)sc1C 36390700 PZCWSSGJXLXBAJ-JTQLQIEISA-N 325.380 4.457 0 40 EIAB CC(C)Oc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40285401 OAHHKTZHOSJXJF-QGZVFWFLSA-N 348.406 4.178 0 40 EIAB C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)c1cccnc1 47751555 JWPVSOSGWHQPKB-SECBINFHSA-N 334.206 4.361 0 40 EIAB CCOC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 54528796 CXOQOGSVFMOXCF-CYBMUJFWSA-N 345.399 4.063 0 40 EIAB COc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 55530859 LUKSLNBRLLQXCD-CQSZACIVSA-N 342.464 4.025 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 57406376 CNOJHUIZJLSGMJ-STQMWFEESA-N 344.842 4.127 0 40 EIAB O=C(OCc1ccno1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 60764712 ARLZCVOVYAKRTR-UHFFFAOYSA-N 337.253 4.310 0 40 EIAB COCC(=O)N(c1nc2ccccc2s1)c1ccc(C)cc1C 64341348 QWUSETPVWBWXOD-UHFFFAOYSA-N 326.421 4.224 0 40 EIAB C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 65594992 XSBSDGVNZWPBAE-HZMBPMFUSA-N 326.824 4.070 0 40 EIAB CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc(-c2cccnc2)no1 69679473 RADWUCFYGCKYPE-RTBURBONSA-N 348.450 4.290 0 40 EIAB CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H](C)c1ccc(F)cc1 71805071 IQWGCIILLBCNHE-CYBMUJFWSA-N 347.434 4.049 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C 71843936 SIWFRZQWKUWBDM-JKSUJKDBSA-N 345.487 4.282 0 40 EIAB CC(C)NC(=O)Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1 71902443 UAALFLMIMGCFCC-ZDUSSCGKSA-N 332.394 4.205 0 40 EIAB Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N1CCCC1 72218828 FUMSEGFGNBNFLX-KRWDZBQOSA-N 345.487 4.452 0 40 EIAB CC[C@@](C)(NC(=O)Nc1c(F)cccc1F)c1nc(C)cs1 72296070 BRCFYGZZFTYCOL-OAHLLOKOSA-N 325.384 4.177 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC(c2ccsc2)CC1 75157139 SALSSSKHBQJOJJ-UHFFFAOYSA-N 340.242 4.123 0 40 EIAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@@H](O)c1ccc(F)cc1 78673095 RNYSWRHGNRINSN-AMIZOPFISA-N 348.727 4.427 0 40 EIAB O=C(CC1CCCC1)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79484408 IXRHCGRSOOEADH-UHFFFAOYSA-N 337.379 4.342 0 40 EIAB CC1(C)COC(C(C)(C)CN(Cc2ccc(F)cc2)C2CC2)OC1 84673679 BEZPDWTZHODFDZ-UHFFFAOYSA-N 335.463 4.215 0 40 EIAB Cc1ccncc1C1=CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 95992854 XCXXEGPCOIXKET-UHFFFAOYSA-N 346.352 4.338 0 40 EIAB CC(C)c1ccc(SCc2csc(CS(C)(=O)=O)n2)cc1 96424853 MAEKKUBBHCVPJN-UHFFFAOYSA-N 341.523 4.103 0 40 EIAB CCC[C@@H]1CCc2ccccc2N1C(=O)CCc1nnc(C(C)C)o1 96471401 YYQQRQPVSKUWCK-MRXNPFEDSA-N 341.455 4.274 0 40 EIAB COc1cc(F)ccc1NCc1cc(Cl)c(OC)c(OC)c1 97465832 IGHLNGOQMKMDQA-UHFFFAOYSA-N 325.767 4.117 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)OC2=O 100260751 ZGDIQHPWMXXVQA-HZPDHXFCSA-N 342.222 4.054 0 40 EIAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 102510048 GVLDSEQXKJISGZ-GRYCIOLGSA-N 329.271 4.298 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 103074911 IFRSYECQIYCSLQ-SFTQSGBHSA-N 342.266 4.313 0 40 EIAB C[C@@H](NC(=O)CC1CCOCC1)[C@H](C)c1ccccc1C(F)(F)F 127202847 UJFSFZKTCAONLV-QWHCGFSZSA-N 343.389 4.130 0 40 EIAB Cc1ccc2[nH]c(-c3ccc(N(C)C)c(Br)c3)nc2c1 216879959 LHVKOXNGGACOFE-UHFFFAOYSA-N 330.229 4.367 0 40 EIAB CCCOc1ccc(C(=O)NCCCc2ccc(OCC)cc2)cc1 218982321 SUEPRKLFEUGEER-UHFFFAOYSA-N 341.451 4.237 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCSc2ccccc2)ccc1Cl 222840200 FDJTURVJCPEPKZ-CQSZACIVSA-N 349.883 4.324 0 40 EIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222868672 VIVVASBDNMDMCC-IAGOWNOFSA-N 342.512 4.021 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCSC2CCCC2)c1 222874650 FGMNQIASRFJISO-UHFFFAOYSA-N 335.513 4.289 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 223782377 CBFQSFPEHFHPTE-UHFFFAOYSA-N 341.451 4.406 0 40 EIAB S=C(Nc1ccc(Nc2ccc3ccccc3c2)nc1)NC1CC1 224032636 YUWDSCKIRXGSIW-UHFFFAOYSA-N 334.448 4.427 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COC 224684667 YUABBXPJTXTIHV-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB O=C(COc1cccc2c1CCCC2)NCCSC1CCCCC1 225151516 OFESTOCKHBJZQD-UHFFFAOYSA-N 347.524 4.126 0 40 EIAB Cc1ccccc1C(=O)N1CCS/C1=C/c1nc2ccccc2n1C 225237339 CGGCTWXDXYVZCT-CPNJWEJPSA-N 349.459 4.069 0 40 EIAB Cc1cccnc1NC(=S)NCCCSCc1ccc(F)cc1 225616566 UMRLBNABYDUQBY-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N)cc2Cl)c1 227158490 FFHVXILNNIGNGX-UHFFFAOYSA-N 332.831 4.372 0 40 EIAB c1ccc(Nc2cc([C@@H]3CCCN3Cc3cscn3)ccn2)nc1 257290991 QFDJWRMNMJQDQP-INIZCTEOSA-N 337.452 4.014 0 40 EIAB Cc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccc(F)cc1 409193632 IFEQBVMWVPYWRR-VLGSPTGOSA-N 332.425 4.004 0 40 EIAB COCc1ccc(CN[C@H](C)c2nc3ccccc3n2C(F)F)cc1 559158148 RXHJJJOAWLXHFJ-CYBMUJFWSA-N 345.393 4.429 0 40 EIAB FC(F)c1cc2cccc(I)c2nc1Cl 685936993 HDBWLWVUGQLZQG-UHFFFAOYSA-N 339.510 4.430 0 40 EIAB C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(Cl)cc1 1570150731 URVUWIBQFXMOEE-NSHDSACASA-N 343.789 4.360 0 40 EIAB c1ccc(Nc2nc([C@@H]3CCCN3Cc3nccs3)cs2)nc1 2037846739 WRZDWTISDIHRGI-ZDUSSCGKSA-N 343.481 4.075 0 40 EIAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 77591 SEQHVJYHFBXFJF-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CCOc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12 180438 RQHVNKDTQHDMEB-UHFFFAOYSA-N 334.347 4.226 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1 189418 YNRPMOIKYPCMES-UHFFFAOYSA-N 329.469 4.254 0 40 EIAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 525769 CJZKZPCDYJENAU-QFBILLFUSA-N 333.416 4.385 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 1460370 UTDSQWMVJVGIGA-HZPDHXFCSA-N 345.446 4.415 0 40 EIAB CC1(C)COC(CCCC(=O)c2ccccc2C(F)(F)F)OC1 2518069 CPSWBOMPVGTJHX-UHFFFAOYSA-N 330.346 4.458 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N2CCc3ccccc32)c1 2634730 NQHGRHSSEMIUCP-UHFFFAOYSA-N 348.402 4.073 0 40 EIAB Cc1nc2cc(C(=O)Nc3nccs3)ccc2n1-c1ccccc1 3343298 UJIOYZRUNVTTAT-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB Cc1c(O[C@H](C)C(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 4038769 GSEOBYJTSSFFMK-CQSZACIVSA-N 348.398 4.240 0 40 EIAB biogenic C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1 4242718 LIIKEGYZEZWZEQ-QMMMGPOBSA-N 344.219 4.239 0 40 EIAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O 4308988 MKTASFILKHBQTM-OPAMFIHVSA-N 348.446 4.354 0 40 EIAB O=C1c2cccc3cccc(c23)C(=O)N1CCc1ccc(Cl)cc1 4534899 PISXXOHOBCBNPH-UHFFFAOYSA-N 335.790 4.332 0 40 EIAB CCC(=O)N1c2ccc(C)cc2[C@H](OC(=O)c2ccccc2)C[C@@H]1C 4992861 FMYJZUSFKVVZIP-HNAYVOBHSA-N 337.419 4.428 0 40 EIAB CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 5077403 HUHMATIQDHIBPN-UHFFFAOYSA-N 333.432 4.133 0 40 EIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3C)c2=O)c1 5269979 SPBZUWFIOPHKMO-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(F)cc1 5466957 SSDYVHQTZGZJFF-UHFFFAOYSA-N 349.405 4.112 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 5509046 KNOXBQBNQXQHQQ-AWEZNQCLSA-N 325.408 4.153 0 40 EIAB Cc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)(C)C)n2)cc1 5532646 IEPWMEMYGSLVBL-UHFFFAOYSA-N 335.407 4.240 0 40 EIAB COc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCCC1 6389339 BAEWRSNZHCLOOA-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB O=C(Cc1c(F)cccc1Cl)NCCc1ccc(Cl)cc1 6609576 GGJTXGLNLCBDEE-UHFFFAOYSA-N 326.198 4.034 0 40 EIAB O=c1oc(-c2cccs2)nn1CCSc1ccc(Cl)cc1 6881836 UMWFNCDXPAVOIL-UHFFFAOYSA-N 338.841 4.011 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccccc2Cl)c1 8355137 DCLHYNGXNOKAAM-YKWSONSWSA-N 345.826 4.248 0 40 EIAB CSc1nnc(SCC(=O)c2cc(C)c(C)c(C)c2C)s1 8762315 PATDBPZTVXLNIX-UHFFFAOYSA-N 338.523 4.469 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 9062996 YFNYEXPCGBIPQX-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB Cc1[nH]c2nc3ccccc3n2c(=O)c1Cc1cccc2ccccc12 9189985 MJGZXWNDGFBELB-UHFFFAOYSA-N 339.398 4.228 0 40 EIAB Cc1ccc(Nc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 9306717 QASSEXISQHIHNS-UHFFFAOYSA-N 335.798 4.497 0 40 EIAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCC1 10908332 QQWGVWHGCZPFMD-UHFFFAOYSA-N 349.409 4.095 0 40 EIAB Cc1ccccc1OCCCCn1c(CCCN)nc2ccccc21 12463130 LGJPTYSEQDRWDU-UHFFFAOYSA-N 337.467 4.095 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 13305011 LECIWVMMBWBHEY-OWFIIGRXSA-N 349.559 4.233 0 40 EIAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)c1 13668961 JGZDEBCAMOOJOL-AWEZNQCLSA-N 337.872 4.137 0 40 EIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13672274 RQLGPPHBJIPEMS-CQSZACIVSA-N 347.480 4.032 0 40 EIAB O=C(CCC1CCCC1)Nc1ccccc1C(=O)NC1CCCC1 14244940 BVFRCKORWLIMSP-UHFFFAOYSA-N 328.456 4.268 0 40 EIAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(Cl)sc1Cl 14250210 NQIISRKHXSVQFF-UHFFFAOYSA-N 344.191 4.134 0 40 EIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 14257749 AAZJXXQEWWPVKT-UHFFFAOYSA-N 338.782 4.218 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 15082880 TZDQBEYMJIVWGB-LLVKDONJSA-N 331.437 4.142 0 40 EIAB Cc1nn(C)c(C)c1Nc1nc(-c2ccsc2)nc2ccccc12 15113565 NBHJTNUVYDYWOW-UHFFFAOYSA-N 335.436 4.452 0 40 EIAB Cn1nc2c(c1NC(=O)c1sc3ccccc3c1Cl)CCC2 16848304 JTAZAVYTYONJHN-UHFFFAOYSA-N 331.828 4.029 0 40 EIAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(OC)cc1 18131505 GCDIDRASVCPSSK-FQEVSTJZSA-N 349.430 4.495 0 40 EIAB CC1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 20806389 YCNCDZXLEPMBSO-FQEVSTJZSA-N 331.500 4.206 0 40 EIAB CCCCSc1nnc(SCC(=O)c2cc(C)[nH]c2C)s1 22416519 NEUZVZSCPVKSOF-UHFFFAOYSA-N 341.527 4.350 0 40 EIAB COc1ccc([C@H]2CCCN2Cn2cnc3cc(C)c(C)cc32)cc1 24105941 JBDQMLOBLKXCKT-HXUWFJFHSA-N 335.451 4.456 0 40 EIAB O=C(Nc1ccccn1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 24444850 WWKQXWIUXUDMNW-IBGZPJMESA-N 342.402 4.028 0 40 EIAB COc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 30753767 BVCQBLYMMKPEEU-UHFFFAOYSA-N 338.451 4.179 0 40 EIAB CCn1cc(-c2nnc(SCc3ccc(Cl)cc3)n2CC)cn1 32604336 LIJKSXKCPNOGIY-UHFFFAOYSA-N 347.875 4.127 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1cccc(F)c1 33982215 XPKVLOSMAOEFKN-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB CC(C)Oc1ccc(CNC(=O)c2ccccc2OC(C)C)cc1 36561705 TVMSUKVEQYXIEU-UHFFFAOYSA-N 327.424 4.191 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccco1 39978544 XMWLUHQDAGOLQA-VHSXEESVSA-N 328.195 4.231 0 40 EIAB COCCOc1ccc(CNC(=O)Nc2ccc(C(C)C)cc2)cc1 40096955 JYLPUYYSNUSKSI-UHFFFAOYSA-N 342.439 4.157 0 40 EIAB Cn1c([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)nc2ccccc21 40156263 SLIWFPHWMZPYQY-SFHVURJKSA-N 337.398 4.080 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCSc3ccccc32)on1 43167641 YGXOYZALZBINNP-GJZGRUSLSA-N 343.452 4.067 0 40 EIAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc2cccnc12 46509220 UJKSUMGJNBIDPI-GOSISDBHSA-N 348.402 4.045 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1c[nH]c(=S)n1-c1ccccc1 48234495 FAWFWRSSDQHDFG-UHFFFAOYSA-N 346.415 4.335 0 40 EIAB Cn1ncc2c1N=C(O)CS[C@H]2c1cccc(OC2CCCC2)c1 49545359 GSNCTWJLTOAVKR-KRWDZBQOSA-N 343.452 4.166 0 40 EIAB Cc1cc(C)n(-c2ccc(CNc3ccccc3-n3cccn3)cc2)n1 55850833 OLQFUHBGWLQPES-UHFFFAOYSA-N 343.434 4.287 0 40 EIAB C[C@@H](CNC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 60572701 LGECTDXEZSDUEX-AWEZNQCLSA-N 333.884 4.493 0 40 EIAB Cc1cc(CN(C)C(=O)N[C@H](c2cccs2)C2CCCC2)no1 65402521 XUWNOAFTFRNFOD-INIZCTEOSA-N 333.457 4.117 0 40 EIAB C[C@@H](CN1CCC[C@H](n2c(=O)oc3ccccc32)C1)c1ccccc1 72347843 QZBANVDLACHLEC-WMZOPIPTSA-N 336.435 4.035 0 40 EIAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2Cc2ccccc2)n1 72378667 BIZHFRNUWHXQEJ-LJQANCHMSA-N 347.466 4.123 0 40 EIAB Cc1ccc2[nH]c(=O)c(CNc3ccc(OC(F)(F)F)cc3)cc2c1 72396071 QJPSZHYJPXNCBC-UHFFFAOYSA-N 348.324 4.347 0 40 EIAB Cc1ccc(Sc2nc(N)c3nc(-c4ccccc4)oc3n2)cc1 80346156 MEQYSVBLJZTSTR-UHFFFAOYSA-N 334.404 4.327 0 40 EIAB O=C(Nc1cccc2cccnc12)N[C@@H]1CCCC[C@H]1C(F)(F)F 89808051 RESLZPDOQIYZRE-CHWSQXEVSA-N 337.345 4.477 0 40 EIAB CC(=O)Nc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 96410597 JEAQUYLJUZXCRJ-UHFFFAOYSA-N 341.436 4.028 0 40 EIAB CCN(CC)Cc1cccc(CNc2ncnc3ccc(F)cc23)c1 97497652 SUOPZLBIKOECQZ-UHFFFAOYSA-N 338.430 4.223 0 40 EIAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc21 101463272 WBZWUHHYQOPFMC-NSHDSACASA-N 349.415 4.118 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1C 113960019 YXVIDVWYGMWUST-MAUKXSAKSA-N 329.415 4.477 0 40 EIAB CSc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(SC)C3)cc1 206759584 BEJMKLIFXBMGAM-GJZGRUSLSA-N 335.538 4.226 0 40 EIAB O=C(NCC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 224537625 DFOAVEDTQZDDME-UHFFFAOYSA-N 348.918 4.249 0 40 EIAB COc1cccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225099614 BPASMGGLIMZAHO-OAQYLSRUSA-N 348.398 4.437 0 40 EIAB Fc1ccc(NC(=S)NCCCSCc2ccco2)c(F)c1 225593890 XGSYCEJIULXWAH-UHFFFAOYSA-N 342.436 4.168 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)cc1C 225714614 LRJNQBNXDVGYRR-MRXNPFEDSA-N 342.464 4.470 0 40 EIAB Fc1cccc(F)c1NC(=S)NC1(c2ccccn2)CCCC1 225860231 WUAYRYCDFWKDKZ-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB Cc1cc(NC(=S)NC2(C)CCCCC2)ccc1N1CCCC1=O 225869878 RLVOPDBGSQYQOS-UHFFFAOYSA-N 345.512 4.131 0 40 EIAB CCCN(CCC)c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 226323658 RBGQUEQGSMFLFC-HOTGVXAUSA-N 331.504 4.013 0 40 EIAB Cn1nc(-c2ccc(F)cc2)c2c(C(F)(F)F)cc(Cl)nc21 257197954 ONFHHHCXRFZLHQ-UHFFFAOYSA-N 329.684 4.447 0 40 EIAB CC(=O)NCC1CCC(c2c(C(=O)O)sc3ccccc23)CC1 257280043 OJFSFATWOBONKA-UHFFFAOYSA-N 331.437 4.009 0 40 EIAB O=C(CCCC(=O)c1ccccc1)NCc1ccc(-c2ccoc2)nc1 390828444 BBOOWBQWJRRVMH-UHFFFAOYSA-N 348.402 4.011 0 40 EIAB CCOc1ccc(-n2c(C)nnc2SCc2ccccc2F)cc1 409102952 UVMBPFJXMZXVNQ-UHFFFAOYSA-N 343.427 4.406 0 40 EIAB O=C(Cc1c(F)cccc1Cl)N1CCc2sc(Cl)cc2C1 575615172 AZWYRPXAJHHYNO-UHFFFAOYSA-N 344.238 4.321 0 40 EIAB c1nc(C2CC2)ncc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 581236608 UHWRLJGCJJXLIJ-UHFFFAOYSA-N 345.450 4.166 0 40 EIAB O=C(Cc1ccccc1Cl)NC[C@H](c1ccco1)c1cccs1 585146775 OKVLNHFYBXINBZ-CQSZACIVSA-N 345.851 4.485 0 40 EIAB O=C(CC1CCCCCC1)N1C[C@@H](n2cccn2)Cc2ccccc21 1126601680 JLVJDDGXOMWENA-IBGZPJMESA-N 337.467 4.374 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1 190363 SOBDWVFMGUCUET-UHFFFAOYSA-N 341.461 4.241 0 40 EIAB aggregator Cc1oc2ccc(OCC(=O)OC(C)(C)C)cc2c1C(=O)OC(C)C 389326 LUDOXJZGKCHJJC-UHFFFAOYSA-N 348.395 4.027 0 40 EIAB biogenic C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 482211 ZAMWKEDVTQOREE-HOTGVXAUSA-N 329.465 4.020 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccccc2Br)c1C 514178 NVKWFHCWTUGASD-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CC(C)[C@@]1(CCNCc2ccc3c(c2)OCO3)CCOC(C)(C)C1 2103305 DMFDYEIPMKZHSB-FQEVSTJZSA-N 333.472 4.126 0 40 EIAB biogenic O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cc(Cl)cn2)o1 2763296 KNFBXDRIDWCTRT-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB CCO/C=C1\C(=O)N(c2ccc(C(C)C)cc2)C(=O)c2ccccc21 3295398 AGWYUPVCBZBQMG-UYRXBGFRSA-N 335.403 4.374 0 40 EIAB CCOc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1 4263353 OVUCZZYNAQJXNR-UHFFFAOYSA-N 328.389 4.006 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 4275891 MRKMEJRNNRONJR-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB CCCn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 4911265 CNFQYFODRVTGCX-SFHVURJKSA-N 347.462 4.005 0 40 EIAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 5098212 PUKRBRHXTDIWEJ-YADARESESA-N 347.395 4.020 0 40 EIAB COc1cccc(NC(=O)CSC2=Nc3ccccc3CS2)c1 5324959 SKIVCHBNJWLHHK-UHFFFAOYSA-N 344.461 4.301 0 40 EIAB COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccccn2)cc1 5346142 UTPIQUFHIMCJGM-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1 5689763 AJYVRGFCLPQLCT-NSHDSACASA-N 340.370 4.070 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5881465 CEZKLEHYJURHTB-GACVUSGFSA-N 349.515 4.115 0 40 EIAB biogenic COc1ccc(CCOC(=O)/C=C/c2ccc3ccccc3n2)cc1 6121173 DSIXKVOGTFRHPX-JLHYYAGUSA-N 333.387 4.043 0 40 EIAB COC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc2c1CCCC2 6425961 AYZQGUUEWDNHGU-UHFFFAOYSA-N 343.448 4.283 0 40 EIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(-n2c(C)ccc2C)c1 7468239 HIOULROQALBSDR-UHFFFAOYSA-N 348.402 4.353 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)NCCSCc1ccccc1F 7637986 ODXRLIKBZHJGMZ-JXMROGBWSA-N 333.403 4.028 0 40 EIAB C[C@@H](Sc1ncnc2ccccc12)C(=O)c1c[nH]c2ccccc12 8188849 DTPHTCIKTDSXPO-GFCCVEGCSA-N 333.416 4.475 0 40 EIAB CCc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 8225702 CVRXGKARKJUBAG-UHFFFAOYSA-N 336.416 4.370 0 40 EIAB CCN(C(C)=O)c1nc(/C=C/c2nc3cc(Cl)ccc3o2)cs1 8705947 SAFNDYZJTKPPNN-FNORWQNLSA-N 347.827 4.481 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cc2ccccc2o1 8734576 IBFXHHFEYMBTHB-UHFFFAOYSA-N 348.402 4.358 0 40 EIAB CC[C@H](C)NC(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844290 IVUVCYQAUYRPGB-AWEZNQCLSA-N 347.418 4.045 0 40 EIAB CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 9140409 WYQCAPOVEBIECI-UHFFFAOYSA-N 338.782 4.218 0 40 EIAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1 9196257 NXBOQRLGBWRMQT-UHFFFAOYSA-N 341.798 4.351 0 40 EIAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 9489309 VGONKOSVBZMXAB-UHFFFAOYSA-N 336.391 4.071 0 40 EIAB Clc1ccc(C2(NCc3ccnn3[C@H]3CCCCO3)CC2)cc1 12361970 BEFFCXPDRSHDRS-QGZVFWFLSA-N 331.847 4.015 0 40 EIAB Cc1cccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 12999223 UVOWKQUDDFSOFY-LJQANCHMSA-N 340.423 4.285 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc2cccnc12 13003951 BJEZXSLXXLQENZ-NPQIQWPPSA-N 334.444 4.455 0 40 EIAB Cc1cc(C(=O)O)ccc1NC(=O)c1cc2cc(Cl)ccc2o1 13391389 YZJAUWUOJVIONS-UHFFFAOYSA-N 329.739 4.345 0 40 EIAB CCCOc1ccccc1C(=O)Oc1ccc(NC(=O)CC)cc1 14784022 YSCTZFHYEAEUBH-UHFFFAOYSA-N 327.380 4.043 0 40 EIAB Cc1cccc(CCC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19236092 NXLMPCPDKNBVIE-MQFRRQCYSA-N 348.490 4.411 0 40 EIAB O=C(Nc1ncccc1O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 22262505 DBCPNMHSPHJMFW-UHFFFAOYSA-N 348.280 4.318 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1C 22510379 BXKVWPBSYDVPSG-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 27794349 GIFRODDAIMMEOB-IBGZPJMESA-N 342.870 4.215 0 40 EIAB O=C(Nc1ccc2c(c1)CCO2)c1ccc2[nH]c3c(c2c1)CCCC3 31342632 CZEULTJNHRAFKB-UHFFFAOYSA-N 332.403 4.234 0 40 EIAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)c1ccc(Cl)cc1 31787488 RVOZCFNYDSEVLD-QMMMGPOBSA-N 349.868 4.290 0 40 EIAB CC(=O)c1csc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)n1 31890407 KMDXKNAYKKLVBU-UHFFFAOYSA-N 342.464 4.314 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1 39742959 OFQKCOLDZJBSDL-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB CC1=C[C@@]2(Nc3cc(C)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40545537 NYAJELGRKZZJBO-NRFANRHFSA-N 345.402 4.443 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(C(C)C)cc1 44901238 XGWKAMAXTXNXEL-HXUWFJFHSA-N 343.442 4.465 0 40 EIAB CN(Cc1cc(Br)cs1)C(=O)c1ccc(F)cc1F 48069583 ZRUPMEFCYJDGBL-UHFFFAOYSA-N 346.196 4.061 0 40 EIAB O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccccc1 48657053 AGMKHJWMKMTYRI-UHFFFAOYSA-N 330.225 4.258 0 40 EIAB Cc1nc2cc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH]1 56309643 PDHQOMJLRIMDAB-RYUDHWBXSA-N 325.334 4.179 0 40 EIAB Cc1cccc(-c2noc(C[S@@](=O)Cc3ccccc3Cl)n2)c1 58377569 JNJQKSOVHICFLQ-HSZRJFAPSA-N 346.839 4.147 0 40 EIAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccco1 65563686 NIXZZUXLBSICJW-UXHICEINSA-N 346.430 4.316 0 40 EIAB CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1nccs1 69616044 MKEDXSYBOJEDCD-UHFFFAOYSA-N 330.453 4.060 0 40 EIAB Cc1csc(C2(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CCC2)n1 71908912 CGSIUECTSIUKJV-VXGBXAGGSA-N 346.418 4.316 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(Br)nc1 72211581 PCDGHSGRWVGCSP-GFCCVEGCSA-N 341.249 4.306 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(N2CCCC2)c(N)cc1Cl 72229054 YZWKDADQWDKLTG-UHFFFAOYSA-N 329.831 4.083 0 40 EIAB CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288650 DUQDHHJTGJMBOK-WBMJQRKESA-N 331.847 4.440 0 40 EIAB CSCc1cccc(NC(=O)N[C@@H](CCCO)c2ccccc2)c1 77705365 XIONNEXRCWNWRC-SFHVURJKSA-N 344.480 4.185 0 40 EIAB COc1ccc(SCC(=O)Nc2cc(C)ccc2C)cc1OC 77732737 QKDYXYTUKYKUGI-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-c2cncnc2)C1 78101586 YLTATYUCUYBXOY-QGZVFWFLSA-N 343.430 4.082 0 40 EIAB O=C(NCc1ccccc1Cl)c1cnn(-c2ccccc2)c1Cl 95117417 UDQPBDCSPIANDX-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB COc1ccccc1-c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193808 ZZBKXMSAWFFCMZ-UHFFFAOYSA-N 348.387 4.275 0 40 EIAB COc1cccc(NC(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)c1 96393250 YRSBKAOARQJBCN-GOSISDBHSA-N 348.830 4.032 0 40 EIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccc(Cl)c2)S1 222559308 GLFJGAVLFDYZGY-XZJROXQQSA-N 329.856 4.324 0 40 EIAB CSc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 222615955 MNFIYHKCILDYSL-UHFFFAOYSA-N 339.395 4.257 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCOc2ccccc2C(C)C)c1 223788069 SZHYESNKDMBGAW-UHFFFAOYSA-N 325.452 4.165 0 40 EIAB Cc1ccc(OCC(=O)NCCOc2ccccc2C(C)C)c(C)c1 223828401 LHWPKRUBIHGOSC-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CCOCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCC 224693822 SLKGXLVMFHDZGB-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CCCc1ccc(OCCNC(=O)c2cc(Cl)ccc2OC)cc1 225040798 CVMXHWWBOQCHIN-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB Clc1ccc(Oc2ccccc2)c2nccc(N3CCNCC3)c12 225321818 RJAHSWBCOVELQP-UHFFFAOYSA-N 339.826 4.090 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 225453405 CWNLKNWPBMKIPF-CQSZACIVSA-N 341.480 4.332 0 40 EIAB Cc1ccc(SCCCNC(=S)Nc2ncccc2C)cc1 225589013 OMQOKHCVMYCHOD-UHFFFAOYSA-N 331.510 4.167 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSC1CCCC1 225714534 UYVJAQKNDIKAPS-QGZVFWFLSA-N 335.513 4.253 0 40 EIAB C[C@@H]1c2ccsc2CCN1Cc1cccc(OC[C@H]2CCCO2)c1 253588987 DJCFMTRMFOSGIU-CRAIPNDOSA-N 343.492 4.425 0 40 EIAB O=C(O)c1ccccc1-c1ccc(CN2CCc3ccccc3C2)o1 257255200 KGNKRKMIHNMGIM-UHFFFAOYSA-N 333.387 4.203 0 40 EIAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CC1CCCCC1 409138713 GYWVMFKRGHIXKX-CXUHLZMHSA-N 345.420 4.032 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccsc1 1775966438 DWKRXYPNHZGBNL-GFCCVEGCSA-N 335.475 4.002 0 40 EIAB COc1ccc(-c2c(C)c3cc(Cl)ccc3oc2=O)cc1OC 57820 LHOZADRUULOPRP-UHFFFAOYSA-N 330.767 4.439 0 40 EIAB biogenic C[C@@H]1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1 86413 QWBDZHAFOLPGSV-CQSZACIVSA-N 325.437 4.212 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(s1)CCCC2 188305 XCQKJZQIZVZTPZ-UHFFFAOYSA-N 338.432 4.436 0 40 EIAB Cc1cc(C)n([C@@H]2CCCC[C@H]2OC(=O)CCc2ccccc2)n1 521957 QQKZHLKZHQGJCS-RTBURBONSA-N 326.440 4.160 0 40 EIAB CC(=O)Nc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 818080 BHGTYOMWDAPTQC-OAQYLSRUSA-N 346.434 4.406 0 40 EIAB COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@H](C)C2 1929356 CGEMMMSXDPUUCC-LLVKDONJSA-N 335.469 4.178 0 40 EIAB Cc1cc(C(=O)OCCOc2ccccc2Cl)c2ccccc2n1 2627189 NAOOQSUOVDRFSM-UHFFFAOYSA-N 341.794 4.432 0 40 EIAB Cn1nc(C(F)(F)F)cc1Oc1ncc(C(F)(F)F)cc1Cl 4040974 YAKOSLROQVWLFG-UHFFFAOYSA-N 345.630 4.298 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1F 4070167 QKYKCDCSEJICLO-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc4ncsc4c3)ccc2s1 4088386 IBFRZWKGFJGARQ-UHFFFAOYSA-N 325.418 4.467 0 40 EIAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NCCC1=CCCCC1 4830105 QKWKOXYAGAFQAB-CYBMUJFWSA-N 329.469 4.050 0 40 EIAB CCCCN(C(=O)C1CC1)c1nnc(-c2ccc(Cl)cc2)s1 4880978 XZLZSVDFYWCAEU-UHFFFAOYSA-N 335.860 4.402 0 40 EIAB COc1ccc(C)cc1NC(=O)COc1cc(C)ccc1C(C)C 5750544 RNKMVLQIRUCUFT-UHFFFAOYSA-N 327.424 4.453 0 40 EIAB CC[C@H](O)c1nc2ccccc2n1Cc1ccc(Br)cc1 6745735 BXLVNEIJRLYWBP-INIZCTEOSA-N 345.240 4.291 0 40 EIAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1O 7747946 RJNJOCWIAYSWPQ-XYOKQWHBSA-N 341.388 4.026 0 40 EIAB O=C(CCc1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 8013558 BKEYYMCWFPNVRE-UHFFFAOYSA-N 331.375 4.394 0 40 EIAB Cc1cccc2nc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cn12 8163311 SNJAWZLTIHNNAW-UHFFFAOYSA-N 348.450 4.275 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 9548029 OEMIEJGRCQUFGF-ZFWWWQNUSA-N 327.424 4.085 0 40 EIAB CCOc1ccc(Nc2nc(C)c(CCc3ccccc3)c(=O)[nH]2)cc1 9939377 PPMLDLBHKGFRJJ-UHFFFAOYSA-N 349.434 4.006 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)c1 10311571 WNTBCPUMFUMIAU-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C 11052261 VESWFAPIJPXKRV-OAHLLOKOSA-N 337.419 4.319 0 40 EIAB COCCCN(Cc1ccccn1)CC1(c2ccc(Cl)cc2)CC1 12364514 AGWIDBGROWKBLS-UHFFFAOYSA-N 344.886 4.305 0 40 EIAB CSCC[C@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 12602072 VTKRKOKHBIQKNX-KRWDZBQOSA-N 339.464 4.096 0 40 EIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@H](C)C3CC3)c(C)c12 12865313 NIUHNMOVKXFKQC-SNVBAGLBSA-N 331.485 4.134 0 40 EIAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccccc1 12918613 YFCVDYHJGQKGCG-LJQANCHMSA-N 340.423 4.205 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OC[C@H]1CCCO1 12937195 IMGTWWKZSOWPHV-CYBMUJFWSA-N 349.789 4.289 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1F 14037453 DJKRURZROYLAAY-UHFFFAOYSA-N 340.398 4.094 0 40 EIAB CC(C)CC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 14257746 ZEXMQFIQWFSNDD-UHFFFAOYSA-N 338.782 4.218 0 40 EIAB Cc1ccccc1-c1noc(CN2CCC(Cc3ccccc3)CC2)n1 15377510 BGGKBDSEEHYHIF-UHFFFAOYSA-N 347.462 4.500 0 40 EIAB Cc1cccc(CNC(=O)Cc2scnc2-c2cccs2)c1 15840243 VIPBJBMCTWBVMU-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20142124 WMMFLKCDFBQOSP-NSHDSACASA-N 347.798 4.468 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C)ccc1OC 20458888 LWKLTCZMEFWJJO-HNNXBMFYSA-N 333.815 4.453 0 40 EIAB Cc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 21540800 GSPKPQZGZBPXEJ-UHFFFAOYSA-N 339.826 4.011 0 40 EIAB CCCCc1noc(CSc2nnc(Nc3ccccc3)s2)n1 22761872 FIFDWARXHMQFAY-UHFFFAOYSA-N 347.469 4.300 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccccc1C 25078559 LFIDJCHJKPFQOR-OAHLLOKOSA-N 329.465 4.114 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCOCc2ccccc2)o1 25840513 BYEDQWSWWKKPTJ-UCDJQPBSSA-N 339.435 4.139 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)c1cc2ccccc2o1 32914241 JYXJCTMHRLOIOW-LBPRGKRZSA-N 346.386 4.283 0 40 EIAB CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 33392140 SNGGLDIUKOCGBQ-VBKFSLOCSA-N 332.469 4.111 0 40 EIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2ccccc2F)on1 40087391 NGTIOTFMKNTXEX-GFCCVEGCSA-N 342.345 4.453 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC[C@H](O)c1cccc(Cl)c1 40098939 UYPGXJVCUAUGMR-KRWDZBQOSA-N 346.858 4.320 0 40 EIAB Fc1cccc(Cl)c1-c1nn2c(-c3cccs3)nnc2s1 40267856 OBZOHURZWWCLQY-UHFFFAOYSA-N 336.804 4.374 0 40 EIAB Cc1cccc(OCCNC(=O)COc2ccc(C(C)C)cc2)c1C 41156736 YWODDBOAIWPUAU-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 44883153 GNWCFHJFCHUVFH-OALUTQOASA-N 341.451 4.429 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 44903751 BDKJXSSVWJOJJW-SFHVURJKSA-N 327.424 4.498 0 40 EIAB Cc1cccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44912403 SWHAXABWYWISPK-UHFFFAOYSA-N 336.479 4.301 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(Cc1ccco1)C1CCCC1 53139481 FKGZZXVXOFBCSE-UHFFFAOYSA-N 326.440 4.280 0 40 EIAB CCCC(=O)Nc1cccc(N[C@H](C)c2nc(CCC)no2)c1C 58158212 GIWHMXFUJUFQMJ-CYBMUJFWSA-N 330.432 4.242 0 40 EIAB CCN(Cc1ccccc1)C(=O)CN(Cc1cccc(C)c1)C1CC1 59387425 HAHFYEGWWOJNRW-UHFFFAOYSA-N 336.479 4.008 0 40 EIAB Nc1[nH]nc(Nc2ccccc2)c1C(=O)Nc1ccc2ccccc2c1 66087404 IDPOKSSIDCNIGA-UHFFFAOYSA-N 343.390 4.141 0 40 EIAB CC(C)Oc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1 72285871 YALZKQKOQOPQEH-QGZVFWFLSA-N 344.480 4.227 0 40 EIAB C[C@H]1CN(c2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)O1 76062731 QHDZFOPPOIRXAE-VIFPVBQESA-N 330.375 4.319 0 40 EIAB Cc1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc1 77240559 MVXMSMDBLKPHSS-UHFFFAOYSA-N 345.613 4.368 0 40 EIAB C[S@](=O)Cc1cccc(NCc2csc(-c3cccs3)n2)c1 95429163 MYLDRBYTYWXVOL-JOCHJYFZSA-N 348.518 4.362 0 40 EIAB CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1 96104710 MZLQJHJCDBLPND-CYBMUJFWSA-N 343.370 4.193 0 40 EIAB CC(C)n1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccn23)n1 96154711 JTBSOCDFQGXIID-UHFFFAOYSA-N 336.439 4.010 0 40 EIAB COc1cc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1NC(C)=O 97045629 YOEVXJNDACUIDF-LBPRGKRZSA-N 344.459 4.087 0 40 EIAB C[C@]12CC3CC(CNC(=O)COc4ccccc4)(C1)C[C@](C)(C3)C2 100910863 QJTXWWPOTFUUSK-DTTSREJYSA-N 327.468 4.178 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCSCc1ccccc1 219731575 JFMMVLHARBYTKC-UHFFFAOYSA-N 329.465 4.137 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225129402 VPWTULPCQQDTHH-UHFFFAOYSA-N 326.421 4.205 0 40 EIAB CC[C@@H](CNC(=S)Nc1ccc(OC)cc1)Cc1ccccc1 225630098 BONAURVHGOQMPG-OAHLLOKOSA-N 328.481 4.251 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccccc2C)no1 225815368 MMASAQOMJMAIBU-UHFFFAOYSA-N 349.434 4.487 0 40 EIAB COc1cccc(CN2CC[C@@H](c3nc(-c4ccccc4C)no3)C2)c1 257268044 MJZNYNQDGTVRDT-QGZVFWFLSA-N 349.434 4.043 0 40 EIAB Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCCN2C(C)C)n1 257284906 PEUNWSFEHWPGBM-GOSISDBHSA-N 327.476 4.165 0 40 EIAB CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)s2)c1 390834260 VGZKWTLIRZCAFY-UHFFFAOYSA-N 337.832 4.104 0 40 EIAB Cc1ccccc1CSCC(=O)N[C@H](C)CCc1ccccc1 408570240 ZXUORIJHONHNIF-QGZVFWFLSA-N 327.493 4.366 0 40 EIAB Cc1cc(Oc2ccc(F)c3c2C(=O)C[C@@H]3C)nc(-c2cccnc2)n1 521402726 ITFPPSQMUPHITM-NSHDSACASA-N 349.365 4.468 0 40 EIAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)c(C)o1 1775978373 QXKZSHYDELYHQG-KRWDZBQOSA-N 341.432 4.088 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)Nc1cccs1 1775979043 YFPDOLVBXDBJJE-CQSZACIVSA-N 344.461 4.332 0 40 EIAB O[C@]1(COc2ccccc2)CCCN(Cc2cccc(Cl)c2)CC1 2037909126 XFBCMUPVNUVYMH-HXUWFJFHSA-N 345.870 4.136 0 40 EIAB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1 72774 QQJRUEGSDJOJTD-UHFFFAOYSA-N 340.762 4.239 0 40 EIAB O=C(NCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 217712 KGXWMGRXYIAMAJ-UHFFFAOYSA-N 339.398 4.227 0 40 EIAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1C 1250998 XHLBJLLWXREDPO-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB CCC[C@@H](C)NCCOC(=O)C(c1ccccc1)c1ccccc1 1710568 LMRLNVZVYRGSIX-QGZVFWFLSA-N 325.452 4.140 0 40 EIAB CCCCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC 1799584 UTEIYUCMQQNJSD-VQHVLOKHSA-N 346.452 4.373 0 40 EIAB biogenic O=Cc1ccc(-c2ccc(Br)cc2Br)o1 3162856 AGOKGPQQBWBDTK-UHFFFAOYSA-N 329.975 4.284 0 40 EIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccccc1 3501131 LJWZYGSLUBHFAG-JTQLQIEISA-N 331.828 4.336 0 40 EIAB CCc1cccc2sc(NC(=O)c3cccc(OC)c3OC)nc12 4479391 CIQRPRXOXJRGMR-UHFFFAOYSA-N 342.420 4.128 0 40 EIAB Cc1ccc2[nH]c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c2c1 4827752 HGJZQNASQCZJHP-UHFFFAOYSA-N 340.854 4.340 0 40 EIAB Cc1csc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 4938676 DSHVOXVIDDEFDX-VIFPVBQESA-N 337.495 4.220 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 5558833 IWQUBORJBJBYRC-UHFFFAOYSA-N 325.286 4.236 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC 6207224 KQAHOISVOAYTKA-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C/C(=O)O 6509245 RYVDQLQIKIQIIX-MDZDMXLPSA-N 326.783 4.144 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CCCOc1cccc(C)c1 6559236 HPJWQFGATUIULG-MRXNPFEDSA-N 327.424 4.040 0 40 EIAB O=C(c1ccccc1F)N(Cc1cccc(F)c1)Cc1ccco1 6747604 NPMDODDZEPYZJL-UHFFFAOYSA-N 327.330 4.400 0 40 EIAB CC(=O)Nc1ccc(C(=O)COc2cc(C)cc(C(C)C)c2)cc1 6941174 RCWPKVADQTUDGP-UHFFFAOYSA-N 325.408 4.339 0 40 EIAB c1ccc2[nH]c(Cc3nc(-c4ccc5c(c4)OCO5)cs3)nc2c1 7119247 SFTVIVRNFMRPLA-UHFFFAOYSA-N 335.388 4.006 0 40 EIAB Cc1nc(-c2ccc(NC(=O)Cc3ccccc3F)cc2)cs1 7438067 XRDIEGDHLHVQRM-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 7779950 PLBLQAJJEPLUIJ-FCLDQCEHSA-N 344.426 4.085 0 40 EIAB COc1ccc(NC(=O)c2cccnc2Nc2ccccc2OC)cc1 7787134 ZYMLUYJQUVURBE-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1 8683899 MKCQOXPXPBUMGV-UHFFFAOYSA-N 339.420 4.154 0 40 EIAB Cc1cccc(C)c1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 11052297 XERKGZSIBZDNLZ-OAHLLOKOSA-N 337.419 4.319 0 40 EIAB CCOCc1c(C(=O)N[C@@H]2CCc3ccccc32)oc2ccccc12 12924441 XTSNVLXCPCMICB-GOSISDBHSA-N 335.403 4.387 0 40 EIAB CCc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 12984573 NBMDRPWYEZUGJR-LJQANCHMSA-N 325.408 4.059 0 40 EIAB O=C(c1ccccc1)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712948 FZOWVRIHUZACDX-VSKRKVRLSA-N 348.490 4.045 0 40 EIAB O=C(NCCC1=CCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 20100440 BYPJWYZPGGFUGU-UHFFFAOYSA-N 344.474 4.044 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C 22186457 RLJNHVCLTMAWGT-ZFWWWQNUSA-N 330.453 4.258 0 40 EIAB Cc1ccc(-c2nc(CSc3nnc(-c4ccc[nH]4)o3)co2)cc1 22976642 OLIJTHLFYJZSGQ-UHFFFAOYSA-N 338.392 4.320 0 40 EIAB Cc1ccc(OC(=O)COc2cccc(Oc3ccccn3)c2)c(C)c1 24819886 YHDBWEMAWAPANV-UHFFFAOYSA-N 349.386 4.475 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCc1ccccc1OC(F)(F)F 27230728 QUGPLYFWGWULSF-SCRDCRAPSA-N 327.346 4.028 0 40 EIAB Cc1ccc(-c2c(C)nn3c(Nc4ccncc4)cc(C)nc23)cc1 27585785 RWHXJCLWZJXROR-UHFFFAOYSA-N 329.407 4.460 0 40 EIAB Cc1ccccc1Cn1cc(NC(=O)Nc2ccc(F)cc2F)cn1 27920305 ULSZMYSFGGWXSO-UHFFFAOYSA-N 342.349 4.162 0 40 EIAB Cc1noc2ncc(C(=O)N3CCC(CCc4ccccc4)CC3)cc12 30974780 KEXVLKQJEJQRPN-UHFFFAOYSA-N 349.434 4.016 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)Nc1ccc(F)cc1 36107937 LBWJKJGHWGEZFI-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36619716 COZPZSJMMRHASC-GOSISDBHSA-N 349.883 4.428 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1 39976089 RPOUEDMHJMDIJX-VAWYXSNFSA-N 329.359 4.270 0 40 EIAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1Cl 42090623 HNKKJSFNHNAWMZ-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC/C=C(\C)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 48281010 WVJNONPRHPBEPJ-NYYWCZLTSA-N 332.400 4.434 0 40 EIAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 49467016 DERCLBUIRKNIEZ-LJQANCHMSA-N 349.430 4.214 0 40 EIAB C[C@@H](c1ccccc1Cl)N(C)Cc1nc(O)c2sccc2n1 53235357 YKQYVMMXDZUZTN-JTQLQIEISA-N 333.844 4.243 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccco2)cc1 53235720 CRKMHHFVPUWYOF-SFHVURJKSA-N 328.412 4.115 0 40 EIAB CC(C)[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 57452439 XBPBNVRLQHBGRH-WOJBJXKFSA-N 340.442 4.132 0 40 EIAB CCCCC[C@H](C)NC(=O)CCNc1cc(Cl)ccc1OC 60166775 HGXVJMFEKNTSEE-ZDUSSCGKSA-N 326.868 4.236 0 40 EIAB O=C(Nn1cnc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 63914691 QGAGQIMJGLINJU-UHFFFAOYSA-N 342.811 4.130 0 40 EIAB O=C(OCCCc1cccnc1)c1cnc(-c2ccccc2F)s1 67297241 XRMTXAAVODIJEN-UHFFFAOYSA-N 342.395 4.134 0 40 EIAB O=C(Nc1cccnc1Cl)c1cnc(-c2ccccc2F)s1 67789436 ZNOCVKSDKMYHIW-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(CCCOc1ccccc1Cl)N1CCC[C@H]1c1ccccn1 69484089 JAHCFECYTSCRQI-KRWDZBQOSA-N 344.842 4.258 0 40 EIAB CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2F)c1 71902609 MQQRXZKTGCRDIP-NWDGAFQWSA-N 334.366 4.111 0 40 EIAB CCCCCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 71908141 LYAIKWMZJWZVCC-UHFFFAOYSA-N 341.373 4.106 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1N1CCCC1 72216010 VKSPKLXTLCOCFX-MRXNPFEDSA-N 331.460 4.144 0 40 EIAB Cc1ccccc1OCC(=O)Nc1cccc(COC(C)C)c1C 72296717 OPFULFWSEAYFDG-UHFFFAOYSA-N 327.424 4.246 0 40 EIAB C[C@H](NC(=O)N1CCC[C@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 74896777 PGBTYGPMRZZONT-ZFWWWQNUSA-N 348.491 4.182 0 40 EIAB CCc1ccccc1NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 76094073 PZRPWCQJIXXCRK-UHFFFAOYSA-N 332.444 4.025 0 40 EIAB CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 84544366 KZKZRVLFOMHLOG-SJORKVTESA-N 335.875 4.107 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 84736164 MWHDVVCKIVHBEU-PMUMKWKESA-N 334.891 4.028 0 40 EIAB COC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 95929093 BTBOMKOXJVGBRU-UHFFFAOYSA-N 345.704 4.119 0 40 EIAB CC(C)(C)[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1F 97017306 YYYDTODYKOXIQK-KRWDZBQOSA-N 346.412 4.371 0 40 EIAB OCc1ccc(CNC[C@@H]2CC3c4ccccc4C2c2ccccc23)o1 97212645 MDTJJRUWOHQCMV-XGSULNKDSA-N 345.442 4.159 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)cc1 113970553 VQRLGMRKEZYRJB-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1nnc(C2CC2)n1C1CC1 194543649 MWTCUXROCHDMAR-BGJPBQGDSA-N 349.887 4.154 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1C 219307217 ZBDBNBRALTYTHJ-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 219541855 QIZAEMXIBDSVOR-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1OC 222577236 BTBLDXZZRPFIND-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C(C)C 222973745 PICSFONUXFEZBC-ZWKOTPCHSA-N 342.512 4.237 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223217962 VQIFNSJACZBEAO-HZPDHXFCSA-N 337.463 4.382 0 40 EIAB C[C@@H](CNC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 224145112 WXDBSRHLNJFJQY-HNNXBMFYSA-N 331.843 4.419 0 40 EIAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccccc1 224152192 KQMXIYGWOCGVCH-DLBZAZTESA-N 337.473 4.320 0 40 EIAB CCOc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225047787 UAUOMAYZNQTCFK-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB CCc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 225189011 NISALAVTEBAQLG-KRWDZBQOSA-N 325.452 4.430 0 40 EIAB CCOc1ccccc1NC(=S)NCc1ccc(OC(C)C)cc1 225445841 CZEXAAXSOFQSDU-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB Cc1ccc(CC(=O)N[C@H](C)COc2ccc(C)c(C)c2)c(C)c1 225542089 MTMINECQRUMSSC-GOSISDBHSA-N 325.452 4.046 0 40 EIAB O=C(NC[C@@H](O)c1csc2ccccc12)Nc1ccccc1Cl 225699228 XUESREJNQCDCSP-OAHLLOKOSA-N 346.839 4.410 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)c(OC)c1 225752837 VTENWKSSCIOCLN-ZDUSSCGKSA-N 330.453 4.060 0 40 EIAB CCCN(CCC)c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 226323648 RBGQUEQGSMFLFC-IYBDPMFKSA-N 331.504 4.013 0 40 EIAB CC(C)(C)Nc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)nc1 508696235 JEXWSCHFSJNWIJ-UHFFFAOYSA-N 347.422 4.414 0 40 EIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 548117326 NJPZEOCQVWAUEJ-FZKQIMNGSA-N 325.456 4.056 0 40 EIAB Cc1cnc(CN[C@H]2CCCCc3cc(Br)ccc32)[nH]1 585093656 XOBNNDTUMMRWMA-HNNXBMFYSA-N 334.261 4.038 0 40 EIAB Oc1nc2ccccc2cc1CNC1(c2c(F)cccc2F)CCC1 585123527 DZSHRHSYGPBYFI-UHFFFAOYSA-N 340.373 4.388 0 40 EIAB O=C(Cc1ccccc1Cl)NC[C@@H](c1ccco1)c1cccs1 585146774 OKVLNHFYBXINBZ-AWEZNQCLSA-N 345.851 4.485 0 40 EIAB Cc1nc(-c2cc(C(=O)N(C3CCC3)C3CCC3)n(C)c2)cs1 1615056978 GQJWZYGSZCVCCI-UHFFFAOYSA-N 329.469 4.004 0 40 EIAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)cs1 1354439 PJJGCSOCNPBPPD-UHFFFAOYSA-N 349.459 4.363 0 40 EIAB O=C(CSCC(=O)c1ccccc1)Nc1ccc2ccccc2c1 3132038 OUVPBGOSQGJAII-UHFFFAOYSA-N 335.428 4.394 0 40 EIAB S=C(NC1CCCCC1)NN(Cc1ccccc1)c1ccccc1 3255447 ZLIFMNXUHNXQSP-UHFFFAOYSA-N 339.508 4.405 0 40 EIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2n1 3283793 HOMHEHAVETUBOM-UHFFFAOYSA-N 332.281 4.386 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCOc1cccc(C)c1 3358536 BNYVEMMDPIZRHT-UHFFFAOYSA-N 333.815 4.373 0 40 EIAB C[C@@H]1CC[C@@](C)(C(=O)CN(C)C(=S)Nc2ccccc2)C1(C)C 3846112 ZBKDFFSDJDPMJR-KUHUBIRLSA-N 332.513 4.347 0 40 EIAB biogenic Cc1ccc(NC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 4400003 PLCSXQKLAPQUEO-UHFFFAOYSA-N 344.842 4.164 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(CC)cc1 4910039 RDHHYKYCIWVZNE-LJQANCHMSA-N 335.407 4.187 0 40 EIAB COc1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1 5299095 NMJDCOAWJLEPPA-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB c1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1 5572327 ZSVSCXFWLQPKPQ-UHFFFAOYSA-N 349.417 4.364 0 40 EIAB CCOc1ccc(N(CC(=O)c2ccccc2)C2=NCCCC2)cc1 6870379 AJMMSFOZUHEUBC-UHFFFAOYSA-N 336.435 4.357 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 7263864 NBDRRIXXIIBINI-UHFFFAOYSA-N 329.705 4.376 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)c1 7904233 QBASPNZUIAJLMM-UHFFFAOYSA-N 327.453 4.082 0 40 EIAB Cc1cccc2cc(COC(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c12 9159583 UUZBLYGWKYBMFR-UHFFFAOYSA-N 349.430 4.491 0 40 EIAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 10295304 SXPBYNGADBVPJY-JLHYYAGUSA-N 337.419 4.423 0 40 EIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCc2sccc2C1 10885325 FBRNHPRXAMZUFL-SNAWJCMRSA-N 337.366 4.365 0 40 EIAB COc1ccc(CNC(=O)Nc2cccc3ccccc23)cc1OC 11004471 VWZGVJHVYDJJIA-UHFFFAOYSA-N 336.391 4.179 0 40 EIAB CSc1nc2c(c(Nc3ccc(Br)cc3)n1)CCC2 11907777 KZBBTRAZMHVPJV-UHFFFAOYSA-N 336.258 4.193 0 40 EIAB O=C(Nc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1Cl 12390974 WKJDQDZWTDKVJC-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CC(C)NC(=O)CC1(C(=O)Nc2ccc(C(C)C)cc2)CCCC1 12811369 PRVWVTKRGHEGDQ-UHFFFAOYSA-N 330.472 4.224 0 40 EIAB COc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1OC 12854556 NUTFRXBOHRCALQ-UHFFFAOYSA-N 339.363 4.271 0 40 EIAB Cc1cccc(OCCN(C)C(=O)c2cc(C)nc3ccccc23)c1 12982607 VQHJCKACOCRCFN-UHFFFAOYSA-N 334.419 4.003 0 40 EIAB C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 13041454 FDQIZQARHZNEEK-SNVBAGLBSA-N 348.233 4.081 0 40 EIAB CC(C)c1ccc2[nH]c(=O)c(CNc3ccc4[nH]ncc4c3)cc2c1 13086649 RPVZGZOMNDDBAK-UHFFFAOYSA-N 332.407 4.140 0 40 EIAB Cc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15017793 QGENJHYAICJEMU-OAHLLOKOSA-N 330.225 4.060 0 40 EIAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccccc1OC 15967088 ZOCQWVJUDVCLEN-CQSZACIVSA-N 335.403 4.348 0 40 EIAB O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2c(F)cccc21 18177595 HOBTYAZKUZABAS-ZDUSSCGKSA-N 338.354 4.463 0 40 EIAB Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2-c2cccnc2C)on1 19124042 KOBUWRJRFNMFHG-ZDUSSCGKSA-N 349.438 4.047 0 40 EIAB O=C(Nc1ccc2oc(=O)ccc2c1)C1(c2ccccc2)CCCC1 20096596 VZDHIWBJWPYICV-UHFFFAOYSA-N 333.387 4.244 0 40 EIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 20104124 XMKGIJMZQGPGLZ-SFHVURJKSA-N 325.452 4.346 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl 20491941 RPYVKYNIYHPBOU-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB Cc1nc(N2[C@H](C)CCC[C@H]2C)nc2c1C(=O)C[C@@H](c1ccco1)C2 20673007 UKJNCXUBFUMRBM-NFAWXSAZSA-N 339.439 4.058 0 40 EIAB CC(=O)c1ccc(N2CCN([C@@H](C)c3ccc(F)cc3)CC2)c(F)c1 23703079 JBXFAAPVPBGOAM-AWEZNQCLSA-N 344.405 4.051 0 40 EIAB CC(=O)[C@H](Cc1ccc(Br)cc1)C(=O)c1ccccc1 25247241 VMPAGJVEGROIQD-INIZCTEOSA-N 331.209 4.080 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc2oc(C3CC3)nc2c1 27223886 ABEQUYOQBOLGCF-UHFFFAOYSA-N 335.388 4.067 0 40 EIAB Cc1cc(OCc2ccc(C(=O)NCc3ccco3)o2)ccc1Cl 28225336 WHZDGEQUOCEOHL-UHFFFAOYSA-N 345.782 4.343 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1C1CCCC1 28246506 FCWBEJTXJVIXST-UHFFFAOYSA-N 333.819 4.221 0 40 EIAB COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 29295565 OCOWZFFLSVJKTF-CSKARUKUSA-N 332.783 4.114 0 40 EIAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3cccnc3)coc2c1C 31941941 GNDQWEBMKLGFPU-IBGZPJMESA-N 334.419 4.351 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NCc3csc(C)n3)ccc2c1 32937757 OMWBQCNGXQXYPJ-GFCCVEGCSA-N 340.448 4.033 0 40 EIAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccc(F)cc1 36359962 SHXPUIMXDZXZFC-HNNXBMFYSA-N 337.354 4.144 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(Cl)cc1 38754913 RYFDHDOJELBNGZ-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB C[C@H](Oc1ccc(C(=O)N[C@H](C)c2ccncc2)cn1)c1ccccc1 40130202 HJAWOWNASCGDTN-CVEARBPZSA-N 347.418 4.108 0 40 EIAB O=C(NCc1ccccc1N1CCCC1)Nc1ccc(Cl)cc1 40158440 NNGYJNRAZTYRDN-UHFFFAOYSA-N 329.831 4.262 0 40 EIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H]2CCCC[C@H]21 43010379 UTLWUPOTNWXFBJ-LSTHTHJFSA-N 343.467 4.039 0 40 EIAB COc1ccc(C)cc1CN(C)C(=O)Nc1cccc2cnccc12 43161346 BEGSEEGJOIXPCE-UHFFFAOYSA-N 335.407 4.216 0 40 EIAB Cc1ccccc1-c1cc(C(=O)N(C)C2CC2)c2cnn(C(C)C)c2n1 46395269 VPFCBDUDDPCEKB-UHFFFAOYSA-N 348.450 4.222 0 40 EIAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1ccncc1 47074806 HMKNOEAHTULQFA-INIZCTEOSA-N 335.432 4.182 0 40 EIAB Cc1cccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 49600853 CHGUOPBUKBBGAZ-UHFFFAOYSA-N 328.419 4.152 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cn4c(C)cccc4n3)c2)oc1C 54113388 DZJIQPRXYKHIFA-UHFFFAOYSA-N 346.390 4.167 0 40 EIAB Cn1c(SCCOc2ccccc2)nnc1-c1ccc(Cl)cc1 57516917 XBIFXGOZCPFMJB-UHFFFAOYSA-N 345.855 4.307 0 40 EIAB CCOC(=O)CCCSc1nc(-c2ccco2)nc2ccccc12 58229953 AXJHTWBQJDHGAZ-UHFFFAOYSA-N 342.420 4.325 0 40 EIAB Cc1ccc2cc(C(=O)Nc3cccc(-c4noc(C)n4)c3)[nH]c2c1 64329181 AFSSWNKBHATGGP-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB Cc1ccc(O)c(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 65586897 XHASZWFSZUMSOZ-UHFFFAOYSA-N 345.445 4.230 0 40 EIAB COc1ccc2oc(/C=C/C(=O)NCc3ccccc3Cl)cc2c1 67339599 QIBXIYOWYOESPH-VQHVLOKHSA-N 341.794 4.424 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)C1CCCCC1 69147459 NSUPMVGHDHOMBQ-UHFFFAOYSA-N 349.837 4.378 0 40 EIAB COc1cccc(CSCc2nnc(Cc3ccccc3)o2)c1 69705549 CTTJRKBYDJCJMS-UHFFFAOYSA-N 326.421 4.102 0 40 EIAB CS[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 69976973 PBDHKXLLWKTACB-HUUCEWRRSA-N 345.512 4.075 0 40 EIAB CC(C)(C)OC(=O)NCCCCC(=O)c1cnc2ccccc2c1 72219605 KKDQIBNVLVYXFP-UHFFFAOYSA-N 328.412 4.113 0 40 EIAB Cc1c(C(=O)N[C@@H](C)C[C@H](O)c2ccco2)sc2ccccc12 79107531 YDPCAOXOHDELFU-FZMZJTMJSA-N 329.421 4.045 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)N3CCSC(C)(C)C3)c2)o1 83567661 ATXADJVRIAUHQR-UHFFFAOYSA-N 331.441 4.009 0 40 EIAB O=C(c1cc2c(s1)CCC2)N1CCCCC[C@@H]1c1ccncc1 84615086 XFHZZYHEQQIFSJ-MRXNPFEDSA-N 326.465 4.389 0 40 EIAB Cc1noc(C)c1CSc1nccn2nc(-c3ccccc3)cc12 90610230 FFFFJPRELJLPKQ-UHFFFAOYSA-N 336.420 4.293 0 40 EIAB CCn1c(C)nnc1CSCc1nc(-c2ccsc2)oc1C 91029535 QRKLACNABYYPSV-UHFFFAOYSA-N 334.470 4.065 0 40 EIAB C[C@@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@@H]1c1ccccc1 96411494 CKVKMXUGIBCJGF-GUYCJALGSA-N 341.436 4.008 0 40 EIAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 214038632 JSJKXQYOZDFWSO-SFQUDFHCSA-N 339.416 4.322 0 40 EIAB O=C(O)c1cc(OCc2ccc(F)cc2Cl)cc(Cl)c1O 216846317 IGSUOJIYXCBJFL-UHFFFAOYSA-N 331.126 4.115 0 40 EIAB CCCC[C@@H](CC)CNC(=O)COc1ccc(Br)cc1 224240629 XWMKLFDKLXYEDV-CYBMUJFWSA-N 342.277 4.161 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC[C@H](C)c1ccccc1 224471058 ZZANQUBCXMXUBD-HKUYNNGSSA-N 325.452 4.381 0 40 EIAB Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224926909 QPHZVWLPGBFEAC-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB CC[C@@H](Sc1nnc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)O 224975847 HLUGOWBQZVHJHJ-OAHLLOKOSA-N 339.420 4.094 0 40 EIAB Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2ccccc2c1 225043329 KQVRSAQPNUBDOI-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB O=C(NCc1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254635 ZQIPWFGAUJILGY-UHFFFAOYSA-N 327.387 4.160 0 40 EIAB CCOc1cccc(NC(=S)NCCCc2ccc(OC)cc2)c1 225557066 KYCHDWPENIXNDN-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12 225882779 UYEPOGSDSLUXGX-IBGZPJMESA-N 330.428 4.167 0 40 EIAB CCCCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225900817 KEWSYRCRBPPVQB-YWZLYKJASA-N 348.487 4.493 0 40 EIAB Cc1cc(N2c3ccc(C(=O)O)cc3C[C@H]2C)nc(-c2ccccc2)n1 226105577 HHRVYXHYZDLPIX-CQSZACIVSA-N 345.402 4.233 0 40 EIAB CCCCc1ccc(NC(=O)C(=O)NC2CCC(CC)CC2)cc1 408708009 FPCDPSCVTSEBJY-UHFFFAOYSA-N 330.472 4.053 0 40 EIAB C[C@H]1CCCC[C@@H]1OCCNCc1cnn(-c2ccc(Cl)cc2)c1 513647346 GZCIKRCCTINKDC-KXBFYZLASA-N 347.890 4.211 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc(-c2ccsc2)o1 575611491 VPIKFQJJALGFTE-PKNBQFBNSA-N 345.445 4.098 0 40 EIAB CSC[C@H](C)c1nc(Cc2cc(Cl)c(N)c(Cl)c2)no1 585120466 OVFCADYVLVBMCG-ZETCQYMHSA-N 332.256 4.016 0 40 EIAB C[C@@H](O)[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccc1F 1644392601 KRSPYWRWWFLHQG-QVKFZJNVSA-N 349.405 4.345 0 40 EIAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OC)cc1OC 147272 SZBFEIBXKJTLSF-ACCUITESSA-N 339.435 4.481 0 40 EIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccc(F)cc1 479895 BLDYEJVKHIADTA-QPJJXVBHSA-N 336.746 4.165 0 40 EIAB Clc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1 1386013 FZSSYQHVPBLKGO-UHFFFAOYSA-N 325.586 4.290 0 40 EIAB O=P(Nc1ncccn1)(Oc1ccccc1)Oc1ccccc1 1615652 FGFZWTAFBHAOCI-UHFFFAOYSA-N 327.280 4.155 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 2024823 OXVQORLPGKNNFZ-JWTNVVGKSA-N 334.891 4.208 0 40 EIAB aggregator COc1ccc2c(CCNC(=O)Nc3cccc(Cl)c3)c[nH]c2c1 2226693 QAXDDUIJFZQDGY-UHFFFAOYSA-N 343.814 4.194 0 40 EIAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(Br)c(F)c1 2514626 BIVBJYQDJXFMQW-UHFFFAOYSA-N 348.215 4.025 0 40 EIAB Cc1cc(OCC(O)COc2ccc(Cl)c(C)c2)ccc1Cl 2685829 FFRDZXWLEBQDEB-UHFFFAOYSA-N 341.234 4.429 0 40 EIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc2ccccc2o1 3166365 NTQOHBOQTGDRHH-HKUYNNGSSA-N 346.430 4.189 0 40 EIAB C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 6175401 WVZSEUPGUDIELE-JTSKRJEESA-N 339.479 4.016 0 40 EIAB biogenic CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 6881029 VQKIMASYLDGNOC-CQSZACIVSA-N 346.858 4.198 0 40 EIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 7003181 JERMTFKCMPFKFV-HNNXBMFYSA-N 341.430 4.255 0 40 EIAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(N)c3)c2)c1 7468289 WHGHIGBFJIGPFL-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB CSc1ncccc1C(=O)OCC(=O)c1cc(C)c(C)c(C)c1C 7657345 VVDKWONVCFRBIS-UHFFFAOYSA-N 343.448 4.077 0 40 EIAB CSc1cccc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 7940581 IJZMTIKVCMLOML-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB C[C@H](CNC(=O)c1csc(-c2ccsc2)n1)c1ccccc1 7963123 NLVRMMNMSJTGHQ-GFCCVEGCSA-N 328.462 4.405 0 40 EIAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC2)cc1 8211843 LGSSYLGHHBQJGD-UHFFFAOYSA-N 333.435 4.144 0 40 EIAB COc1cc(C(=O)NCc2ccccc2Cl)ccc1OCC(C)C 8311909 SZQWOQPRHQREEQ-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB Cn1/c(=N\C(=O)c2cc(Cl)ccc2Cl)sc2ccccc21 11617437 IUDAPSWCKGNLAJ-OBGWFSINSA-N 337.231 4.288 0 40 EIAB CCn1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)n1 11738172 HBEVCEUUDZEUGC-UHFFFAOYSA-N 348.431 4.432 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)OCC(C)C)cc(-c2ccccc2)n1 12016927 XPYRBUHLIWMYII-ZDUSSCGKSA-N 330.453 4.132 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccncc1 12558214 QEFFGWYGMJBFKW-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12931255 WAOOVUARDMCION-UHFFFAOYSA-N 337.379 4.060 0 40 EIAB COc1cc(C)c(NC(=O)CCOc2cc(C)cc(C)c2)cc1OC 12932032 BPHBTTPGQAYGCM-UHFFFAOYSA-N 343.423 4.037 0 40 EIAB CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccc3F)cnc21 12999478 HUQFBEXEZUNGEP-UHFFFAOYSA-N 332.766 4.057 0 40 EIAB CCOc1ccc(C(=S)NCc2ccccc2Cl)cc1OC 13547333 GMIGJBJWSHNMMI-UHFFFAOYSA-N 335.856 4.213 0 40 EIAB C=Cn1cc(CN(Cc2cccnc2)Cc2ccccc2F)c(C)n1 13569021 YETAOGWVBVLKMF-UHFFFAOYSA-N 336.414 4.029 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1 14229835 DTJIOSZNRLQKRC-UHFFFAOYSA-N 346.477 4.331 0 40 EIAB CC(=O)c1ccccc1NC(=O)CNc1cc(Cl)cc(Cl)c1 15086911 HONUSIUOKSSCOY-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 15604660 PLXQBOQWKSDOEX-UHFFFAOYSA-N 339.370 4.009 0 40 EIAB COc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)cc1 15839826 NXRUZPHLAGVYCG-NRFANRHFSA-N 346.430 4.226 0 40 EIAB COc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 16505357 UGWRXQKQQNZDPX-UHFFFAOYSA-N 333.391 4.011 0 40 EIAB O=C(CCC1CCCC1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19014602 IXIKPVZWIMAXEC-MRXNPFEDSA-N 331.460 4.014 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 19344805 QJOVCJJHENTKLT-AWEZNQCLSA-N 345.468 4.084 0 40 EIAB CCN(CC)c1ccc2nc3c(C)nn(-c4ccccc4)c3nc2c1 19691601 HOYHMYXXUZOEOE-UHFFFAOYSA-N 331.423 4.123 0 40 EIAB Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 19736271 CKDIHMOZPHBACK-SNVBAGLBSA-N 339.222 4.290 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 20110780 LQHQDBJIJCFWJL-HZPDHXFCSA-N 329.415 4.396 0 40 EIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 26978383 ORRHVRBJDUOZKN-BFUOFWGJSA-N 342.439 4.179 0 40 EIAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 30117318 PVDJSQYYDZYRPV-LLVKDONJSA-N 325.305 4.264 0 40 EIAB Cc1nc(NC(=O)[C@@H]2Cc3ccccc3O2)sc1-c1ccccc1 31967926 CLUAXDVMMGZFGR-INIZCTEOSA-N 336.416 4.061 0 40 EIAB O=C1CCc2cc(NC(=O)c3cc4c(s3)CCCCC4)ccc2N1 33066430 SOMJADMFSKHWLW-UHFFFAOYSA-N 340.448 4.154 0 40 EIAB O=C(Nc1ccccc1F)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38849228 GJEMNCYKAFLLSI-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42713236 RIYUBHLBFNVYTJ-ZDUSSCGKSA-N 343.446 4.488 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)c(C)c1 44935054 BFOGAHFOIZGTIJ-KRWDZBQOSA-N 333.435 4.039 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1ccsc1 47165723 DFNUCYOKDWZQCE-IBGZPJMESA-N 336.460 4.445 0 40 EIAB O=C(CCc1ccccc1O)N[C@@H](c1cccs1)C1CCCC1 48290896 OSTOFXWFDQKILW-LJQANCHMSA-N 329.465 4.434 0 40 EIAB Cc1ncc(CN(C)C(=O)Nc2ccc(-c3nccs3)cc2)s1 58168191 OMDYUDYPPFGXIZ-UHFFFAOYSA-N 344.465 4.239 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 58195258 MMHVDLGECVANQP-RYUDHWBXSA-N 332.787 4.024 0 40 EIAB COc1ccc2oc(/C=C/C(=O)Nc3cccc(C(C)=O)c3)cc2c1 67339528 SEMUDFVKMKNPRD-VQHVLOKHSA-N 335.359 4.296 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 70040396 BZJUNHZQISKRCY-GFCCVEGCSA-N 346.434 4.162 0 40 EIAB CCN(C(=O)C[C@@H](C)c1cccnc1)[C@H](C)c1cccc(OC)c1 70040461 XXTOHTZJKRIWSK-HZPDHXFCSA-N 326.440 4.194 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H]1c1ccc[nH]1 71824120 XHMSDQFEUCHEAY-JXFKEZNVSA-N 338.451 4.197 0 40 EIAB Cc1cc([C@H](C)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)c(C)o1 75602440 AMRCOYDTRVKAHQ-NHYWBVRUSA-N 349.862 4.059 0 40 EIAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)cc(C)c1OC(F)F 78562108 SWCMMNAZVAEOTJ-ZDUSSCGKSA-N 334.366 4.133 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1C 79361069 DLZNRGRLIZWGQR-QFIPXVFZSA-N 335.856 4.088 0 40 EIAB CCc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80345073 WLMCEWHBFWKOAP-QWRGUYRKSA-N 342.251 4.150 0 40 EIAB Cc1noc(C)c1C[C@@H](C)NC(=O)C1CCC(c2ccccc2)CC1 80398545 QOSIPZTWRGGTNV-FTXHTYHOSA-N 340.467 4.313 0 40 EIAB O=C(N[C@@H]1CCCc2occc21)N[C@H](c1ccccc1)c1ccncc1 89827673 BMNAFHZMYQFYJH-UYAOXDASSA-N 347.418 4.141 0 40 EIAB Fc1cccc(C(F)(F)F)c1N1CCN(Cc2ccccc2)CC1 95080911 BVVHBFQMGDYBPR-UHFFFAOYSA-N 338.348 4.167 0 40 EIAB CCO[C@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 95399933 XLJJHELYHIHUMW-MRVPVSSYSA-N 331.846 4.313 0 40 EIAB COc1cccc(/C=C/c2ccc3cc(C(=O)O)ccc3n2)c1OC 95972656 MTERTUMRQQBUQT-RMKNXTFCSA-N 335.359 4.121 0 40 EIAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc2c(c1)CCCC2 96408339 BBJBXRNLLZMVLJ-XMMPIXPASA-N 341.476 4.005 0 40 EIAB Cc1ccc(Oc2ccc(N[C@@H](C)c3nc(C4CC4)no3)cc2)nn1 96437176 WRXRMBFVBDVRQQ-LBPRGKRZSA-N 337.383 4.011 0 40 EIAB Cc1cnc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)o1 97230694 PGFHXWQUKHPFAQ-CYBMUJFWSA-N 327.359 4.160 0 40 EIAB CCCCOC(=O)N1[C@@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 100039445 AQWJVHQBSHBIAH-RKDXNWHRSA-N 331.256 4.047 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 100052011 IVFFJUAKHSVYDY-QFYYESIMSA-N 326.223 4.309 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 218972353 CPIKSZUDJHFGKN-CRAIPNDOSA-N 339.435 4.181 0 40 EIAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1cccnc1 223992094 OWVJVNPSDXWTHH-UHFFFAOYSA-N 325.481 4.270 0 40 EIAB CCCCc1ccc(C[C@H](Oc2cccc(OC)c2)C(=O)O)cc1 225128834 JGCCFZNDZNGDJP-IBGZPJMESA-N 328.408 4.113 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(C)c1 225580332 SFTDFQJEFCXAMY-SFHVURJKSA-N 333.545 4.244 0 40 EIAB Cc1noc(-c2ccsc2NC(=O)CCc2cccc(Cl)c2)n1 225659936 MAMSPTIZWREPPD-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB O=C(c1ccc(-c2cccs2)cc1)N1[C@H]2CC[C@H]1c1cncnc1C2 225672417 BCCITTOFNNFJPU-YJBOKZPZSA-N 347.443 4.107 0 40 EIAB Cc1cccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc12 226034804 VZMGNADLNKIMPA-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB COc1cc(C(=O)C(F)(F)Br)c(Cl)cc1Cl 309499699 GMNAKMXYOVNGQH-UHFFFAOYSA-N 333.943 4.172 0 40 EIAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 409200532 HZJKSYBYYMGCDE-LDADJPATSA-N 348.427 4.447 0 40 EIAB C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc2c3c(cccc13)CC2 508199753 RJRJXIOUIUBZPI-AWEZNQCLSA-N 346.430 4.397 0 40 EIAB COc1nc(Nc2ccccc2)nc(Nc2ccc(Cl)cc2)n1 96192 GVNMNBRCXODSOT-UHFFFAOYSA-N 327.775 4.021 0 40 EIAB Clc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)c(Cl)c1 524759 CDRKKUPUBGQDIA-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB CCOc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1 531868 ZIRPHJKLKBPDIF-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB Cc1ccc([C@@H]2N(c3cccc(Cl)c3)C(=O)N3CCCN23)cc1 547268 KXKLSSBTIXVEBA-KRWDZBQOSA-N 327.815 4.210 0 40 EIAB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 4027602 FMNPCVNWRFPDCA-WHZJULEDSA-N 328.452 4.483 0 40 EIAB Cc1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1 4675689 QCRQFBKWENHFFW-UHFFFAOYSA-N 337.448 4.168 0 40 EIAB CCC(=O)Nc1cccc(C(=O)Nc2nc3ccc(C)cc3s2)c1 4731902 ZIXYVZYYVYGYRJ-UHFFFAOYSA-N 339.420 4.206 0 40 EIAB CCC(=O)Nc1cc(NC(=O)CC)cc(-c2nc3ccccc3o2)c1 4941751 YIKYRMAKPJDNDD-UHFFFAOYSA-N 337.379 4.192 0 40 EIAB CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 5021055 AUUWRUNQSPBTGM-UHFFFAOYSA-N 340.404 4.110 0 40 EIAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1 5024469 OULYRBFBHNXODA-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)[C@H](Cc1ccccc1)n1cccc1 5055390 HEZPGQCYHOZQSJ-SFHVURJKSA-N 326.346 4.189 0 40 EIAB O=C(CNc1ccc(Br)cc1)Nc1ccccc1Cl 5172834 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PZFGFZBZODTHSC-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB C[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(F)cc2)no1 58177772 SJHSKMMHSIEISS-JTQLQIEISA-N 345.761 4.020 0 40 EIAB Cc1nc2ccccc2nc1NCc1cccc(OC[C@H]2CCCO2)c1 58356547 XONJPVMGLGUISW-GOSISDBHSA-N 349.434 4.108 0 40 EIAB O=C(Nc1c(F)cccc1F)c1cccc(Oc2nccs2)c1 71914718 BLFIFZZCDBTOSV-UHFFFAOYSA-N 332.331 4.466 0 40 EIAB Cc1ccc(SCC(F)(F)F)c(NC(=O)C2CCOCC2)c1 72290557 GOFUGFXMXLFDKE-UHFFFAOYSA-N 333.375 4.015 0 40 EIAB CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)NCc2ccncc2)c1 72295997 KBPZUWUNAKGQOC-CYBMUJFWSA-N 331.847 4.121 0 40 EIAB c1csc([C@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1 72325807 VABFNXKGHZDDFV-IBGZPJMESA-N 335.476 4.091 0 40 EIAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2C(C)(C)C)on1 72341135 GHDFFHSRSWEFBN-UHFFFAOYSA-N 340.402 4.489 0 40 EIAB CCCNC(=O)Nc1cccc(OCc2ncc(C(C)(C)C)o2)c1 75109791 YLXUCFIQHGLOBN-UHFFFAOYSA-N 331.416 4.083 0 40 EIAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2cccs2)c2c(C)noc2n1 84083192 NYHMPNMDLPKEHC-AWEZNQCLSA-N 343.452 4.418 0 40 EIAB CC(C)(C)n1ncc(NC[C@@H]2CCCc3ccccc32)c(Cl)c1=O 84325478 ULHNFJJGGMBWBS-AWEZNQCLSA-N 345.874 4.184 0 40 EIAB FC(F)(F)c1cccc(CNCc2c(Cl)nc3ccccn23)c1 84606553 RUNOUHHTYAWMOG-UHFFFAOYSA-N 339.748 4.296 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C 84671158 IAHRTAWQLDSBGB-SMDDNHRTSA-N 346.496 4.475 0 40 EIAB Fc1cc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c2ncccc2c1 89827824 AOIWXGOTERAUCY-UWJYYQICSA-N 336.410 4.241 0 40 EIAB Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)C)CCCC2=O 91302075 VHXNILWUCGHDNF-UHFFFAOYSA-N 329.318 4.342 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1O 96012460 GJDSRRPQKANHIY-UHFFFAOYSA-N 328.755 4.261 0 40 EIAB COC(=O)c1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 100673735 QPJDXNGJBDLUFS-FMXWSCRGSA-N 341.451 4.408 0 40 EIAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 103977479 TZNNMVQSRRNHMJ-LNMJFAINSA-N 335.403 4.039 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1 113969702 BREVKZIZHAGURI-LJQANCHMSA-N 327.424 4.444 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1C 219510461 FJRBLRDRQDIHOM-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219863398 HCBCDVHPYDHLQA-SFHVURJKSA-N 336.479 4.397 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc2ccccc12 222877759 MZBQYHODUFZYMS-LJQANCHMSA-N 337.394 4.453 0 40 EIAB C[C@H](CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 225134326 CRPXPVWWDMRIRW-IAGOWNOFSA-N 337.463 4.253 0 40 EIAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(Cl)cc1F 225410554 ZWOOXELBKAMYHW-CYBMUJFWSA-N 346.833 4.050 0 40 EIAB CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN3C(C)C)n2)s1 257326790 WYOUNYXSVUFWAW-INIZCTEOSA-N 330.501 4.344 0 40 EIAB Clc1ccc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)co2)cc1 613450578 GBEAHYYCQGHAKE-IAGOWNOFSA-N 332.831 4.138 0 40 EIAB CSc1nc2c3ccccc3n(C(C)=O)c2n1Cc1ccccc1 54277 NETXQMJNMKRAHM-UHFFFAOYSA-N 335.432 4.421 0 40 EIAB CN(C)C(=O)Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 387365 PHLZGTFMDLJGLR-UHFFFAOYSA-N 349.312 4.081 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)N(C)c2ccccc2)c2ccccc12 560922 JXSRNLXUZILUFE-UHFFFAOYSA-N 334.419 4.143 0 40 EIAB Cc1cc(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc12 1006933 WLQLQOARHVMJPU-UHFFFAOYSA-N 337.400 4.247 0 40 EIAB Cc1ccc2[nH]c(SCC(=O)Nc3cccc(C)c3C)nc2c1 2742663 XAVWJFLOVMIYNX-UHFFFAOYSA-N 325.437 4.219 0 40 EIAB O=C(O)CCCCCNC(=O)/C=C/c1ccccc1-c1ccccc1 3101456 YMICAAKSZUWZSQ-CCEZHUSRSA-N 337.419 4.128 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c(C)c1 4479455 RIFNBRVZQSKMPX-SOFGYWHQSA-N 325.393 4.067 0 40 EIAB CC(=O)CCc1ccc(OCc2nc(-c3ccccc3C)no2)cc1 5347968 ZEXBBCVYNLOBEJ-UHFFFAOYSA-N 336.391 4.146 0 40 EIAB CC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@@H](CC(=O)O)c1ccccc1 5379720 XGLBLPALHYSNIK-HKUYNNGSSA-N 340.419 4.370 0 40 EIAB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC3CCCC3)o2)cc1 6297461 SFXIGEFAPWQGOB-ATVHPVEESA-N 348.402 4.115 0 40 EIAB O=C(NCCc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1 6607305 QWCOARYRHHYQJM-UHFFFAOYSA-N 347.389 4.029 0 40 EIAB O=C1CCCN1c1cccc(OCc2coc(-c3cccs3)n2)c1 7064618 HSGMYKXITHIYCT-UHFFFAOYSA-N 340.404 4.109 0 40 EIAB O=C(Nc1onc2c1CCCC2)C(c1ccccc1)c1ccccc1 8976596 RKEOPMWOYFOJSY-UHFFFAOYSA-N 332.403 4.324 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)no1 9203902 AGLNADCNFFGDLL-UHFFFAOYSA-N 325.802 4.074 0 40 EIAB O=C(c1ccc(F)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 9516071 OJYIGOOEXWGVQI-UHFFFAOYSA-N 346.361 4.283 0 40 EIAB CN(Cc1ccc(C(N)=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 11373418 WJCSORZZMVBSBA-OAQYLSRUSA-N 348.421 4.146 0 40 EIAB CC(C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C 12814295 FJHMWZNQVVYTOA-UHFFFAOYSA-N 334.441 4.302 0 40 EIAB CCOC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 13812291 HTUPJDXMHPLUDT-UHFFFAOYSA-N 334.828 4.326 0 40 EIAB CC1(C)CC(N(Cc2ccccc2)Cc2ccccn2)CC(C)(C)N1 13992617 VFVVEDXWANASAZ-UHFFFAOYSA-N 337.511 4.393 0 40 EIAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1C(C)(C)C 14116860 ZQKXBEGDIZGMGP-UHFFFAOYSA-N 339.435 4.377 0 40 EIAB c1ccc(CCN2CN=C(c3ccccc3)N(c3ccccc3)C2)cc1 19960606 MYVYRBPXUYIQDP-UHFFFAOYSA-N 341.458 4.413 0 40 EIAB O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)Nc2ccccc21 20244024 QRWSPZKNYHKHPY-HXUWFJFHSA-N 330.387 4.120 0 40 EIAB COc1ccc(OC)c(CN(C(=O)c2cc(C)cc(C)c2)C2CC2)c1 25804219 VUEKDAHEAGARTC-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB COc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3)c[nH]2)cc1 26128578 WWZBOBIDKVSPOQ-ZDUSSCGKSA-N 338.432 4.449 0 40 EIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(Oc2ccccc2)c1 29835653 FPELRLVPPMEICH-UHFFFAOYSA-N 346.342 4.166 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 30996390 HJFJNGOHFLGWMT-UHFFFAOYSA-N 343.430 4.110 0 40 EIAB CC(C)c1nc2oc(C(=O)N3CCCCC3)c(N)c2c2c1CCCC2 31819918 ISOUMIFRJRETLK-UHFFFAOYSA-N 341.455 4.038 0 40 EIAB CCc1cccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 32642838 NKZUHJOOUHEMJR-UHFFFAOYSA-N 346.434 4.045 0 40 EIAB Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(Cc2ccccc2)n1 32647709 BUAQTQMPIQDAJP-UHFFFAOYSA-N 342.349 4.162 0 40 EIAB Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cnn1-c1ccccn1 32815664 UMASTBRMKHWCDV-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(F)cc1F 32863068 UQLJFKSVNFSFBU-UWVGGRQHSA-N 340.320 4.364 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccn1 32902568 SUMHKXFAPKLUKY-FNORWQNLSA-N 326.705 4.406 0 40 EIAB CC(C)c1noc([C@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1 40511404 KJECDRAJDDZQIL-NSHDSACASA-N 348.834 4.146 0 40 EIAB O=C(c1cc(Nc2ccccc2)c2ccccc2n1)N1CCSCC1 44169619 WRRZVOATOAZQSC-UHFFFAOYSA-N 349.459 4.167 0 40 EIAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 48274523 MAKCTTXFVIULRW-LJQANCHMSA-N 344.474 4.044 0 40 EIAB COc1ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 54670001 DGNDDRSTROUEAX-LJQANCHMSA-N 335.403 4.139 0 40 EIAB COc1cc(CN(C)[C@@H](C)c2nc(C(C)C)no2)ccc1SC 60356191 YCBJRUYWSWEXCP-LBPRGKRZSA-N 335.473 4.117 0 40 EIAB O=[S@](CCSc1nnc(C2CCCCC2)o1)c1ccccc1 60709991 FJOYQGWROJXZOR-QFIPXVFZSA-N 336.482 4.017 0 40 EIAB CC(C)c1ccc(NC(=O)Cc2nnc(-c3ccsc3)o2)cc1 62007285 AFYAQANZSSLJOD-UHFFFAOYSA-N 327.409 4.103 0 40 EIAB CC(C)c1nc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2s1 66873816 IYDOZQULOOTLAB-OLZOCXBDSA-N 344.436 4.025 0 40 EIAB CCN(CC)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212865 XKINFBBWQYTCNK-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB CC(C)n1c([C@H]2CCCN(C(=O)C3CCC3)C2)nc2ccccc21 72283727 ZGXLXVOWEUWABE-INIZCTEOSA-N 325.456 4.123 0 40 EIAB Fc1ccc(CN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1F 72369832 WFXGJIZWTOSDIT-HNNXBMFYSA-N 341.361 4.004 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)Cn1ccc(=O)c2sccc21 75146481 ITDHSDVAGTYELF-UHFFFAOYSA-N 340.448 4.134 0 40 EIAB Cc1cc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)o1 75155377 DSJYWJDJNXJXIU-JOCHJYFZSA-N 349.430 4.201 0 40 EIAB Cc1ccccc1NC(=O)NC1(c2nc(C3CC3)no2)CCCCC1 75164164 MSJZHAJUSSJSOC-UHFFFAOYSA-N 340.427 4.237 0 40 EIAB Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)n2ccnc2)c1 76624339 FDBBGKQXRXLITF-NSHDSACASA-N 343.374 4.046 0 40 EIAB COc1ccc(OC)c2c(Nc3ccc(C(=O)O)cc3)cc(C)nc12 78401732 DWFUHSOASONNTM-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB Cc1cc(CCCC(=O)Nc2nnc(C(F)F)s2)c(C)s1 84532895 VALQVXWKSSIAJG-UHFFFAOYSA-N 331.413 4.115 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NCc1cnc2ccccn12 89326643 VCQYYLNWBBCSOZ-UHFFFAOYSA-N 334.345 4.031 0 40 EIAB FC(F)(Cl)Oc1c(Br)cccc1Br 95215729 VPLSZDGWKWBQPX-UHFFFAOYSA-N 336.357 4.380 0 40 EIAB Cc1ncsc1CCN(C)[C@@H](c1cccc(F)c1)c1ccccn1 95399428 HJCDCQXVHXAZCQ-IBGZPJMESA-N 341.455 4.250 0 40 EIAB Cc1ccc(C[S@@](=O)Cc2cn3cc(Cl)ccc3n2)cc1C 95412196 AJNYNHHUMYCLPQ-QFIPXVFZSA-N 332.856 4.053 0 40 EIAB Cc1nc(C(=O)NCc2cccnc2)c(-c2ccccc2Cl)s1 95478700 UVXASENNXOFKFO-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB COc1ccc(C(=O)Cc2ccc(F)c(Br)c2)cc1C 95630770 YVZYXPHIKFMDFZ-UHFFFAOYSA-N 337.188 4.331 0 40 EIAB Cc1coc(/C=C/C(=O)Nc2ccccc2N(C)Cc2ccccc2)n1 96012355 VUZDQBZBFKIUFQ-OUKQBFOZSA-N 347.418 4.271 0 40 EIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1cnccn1 96410624 DDLPBODBUJOESG-UHFFFAOYSA-N 344.484 4.340 0 40 EIAB Cc1nnc(CSCc2ccc(Cl)cc2Br)o1 97014568 VJRXMXGYZHYMMS-UHFFFAOYSA-N 333.638 4.227 0 40 EIAB O=C(Nc1c(Cl)cccc1Cl)c1cnc(Cl)nc1Cl 98177704 ARDYHOMYWMROCB-UHFFFAOYSA-N 336.993 4.343 0 40 EIAB Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C\C(=O)O)n2)cc1 100296828 PWACSDKDOHSSQD-NALWFHSCSA-N 348.446 4.015 0 40 EIAB fda Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102593052 TTZPHNFNLGIKKS-HDICACEKSA-N 333.387 4.243 0 40 EIAB CC[C@@H](C(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccc(OC)cc1 192604495 KICJYNAUJFBNPY-SJLPKXTDSA-N 344.480 4.317 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 219527948 KUPUMFHEDSQLGW-SFHVURJKSA-N 325.452 4.128 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCc1ccc(Cl)cc1 224417462 SEDPWRDBDSWZGI-CQSZACIVSA-N 331.843 4.029 0 40 EIAB CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225058041 WDZSUQRUHOLSCS-UHFFFAOYSA-N 349.814 4.457 0 40 EIAB CC(C)Sc1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 225169547 JXAJNRUKHCENJP-JTQLQIEISA-N 339.511 4.158 0 40 EIAB CCc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 225183176 FTJQGIGLOYSNAY-UHFFFAOYSA-N 339.479 4.284 0 40 EIAB COc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cn1 225766619 PTQMXHHPKATQND-SFHVURJKSA-N 343.496 4.391 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(N)c1 226348105 BTEMZQRNPBJRBP-UHFFFAOYSA-N 340.354 4.319 0 40 EIAB c1cncc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)c1 1153698595 XXCCBJLQMRHXKM-UHFFFAOYSA-N 338.414 4.271 0 40 EIAB COc1ccc2[nH]c(CN3CCC[C@H](c4nccs4)C3)cc2c1 2037845458 DQIXFXNLOMLSSO-ZDUSSCGKSA-N 327.453 4.013 0 40 EIAB CC(C)OC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCCC3 145085 XCOVXCKSVAJWND-JTQLQIEISA-N 336.482 4.002 0 40 EIAB S=C(NCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 194715 KJKYFQHJUGIVHQ-UHFFFAOYSA-N 333.460 4.159 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1C 569684 NFKRBFOMSNKZNE-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB CC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 807308 ZLVQKDTWVSNOON-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB O=P(NCc1cccnc1)(Oc1ccccc1)Oc1ccccc1 2252329 NPLHPNQORUOOKR-UHFFFAOYSA-N 340.319 4.437 0 40 EIAB CC1(C)COC(CCCC(=O)c2ccccc2Br)OC1 2518041 GXWZLNVVOPUEMK-UHFFFAOYSA-N 341.245 4.201 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1 3192513 JZRBZKLNJZWGPU-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1nc2ccccc2s1 3202396 LGEQINADZDDWGS-UHFFFAOYSA-N 326.402 4.263 0 40 EIAB COc1cc(SC)ccc1C(=O)Nc1ncc(Cl)cc1Cl 3235346 WSHNWWOIVODKOD-UHFFFAOYSA-N 343.235 4.371 0 40 EIAB O=C(C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)O)c1ccccc1 4554166 ROXPXIRBZRKPJV-AWEZNQCLSA-N 338.190 4.132 0 40 EIAB CCC(=O)N1c2ccc(C)cc2[C@@H](OC(=O)c2ccccc2)C[C@H]1C 4992864 FMYJZUSFKVVZIP-BEFAXECRSA-N 337.419 4.428 0 40 EIAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1 5584295 FRQVQEYWEOOKED-UHFFFAOYSA-N 331.462 4.183 0 40 EIAB O=C(CCC(=O)c1cccs1)N[C@H]1CCSc2ccccc21 6558761 VCRKSPHKFRDGSN-ZDUSSCGKSA-N 331.462 4.064 0 40 EIAB CCCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 6595232 OVMXZBHKMXWYFY-UHFFFAOYSA-N 336.391 4.006 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 6652965 MTEKEEVZURTMKL-QRWLVFNGSA-N 338.451 4.080 0 40 EIAB O=C(CC1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1 7814846 NPQJYFCFKUBZSP-UHFFFAOYSA-N 336.863 4.086 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)N1CC=C(c2ccccc2)CC1 8074154 BPBMRNSHAVORFP-ZHACJKMWSA-N 330.387 4.157 0 40 EIAB Cc1ccccc1OCCSCC(=O)N[C@@H](C)c1ccc(F)cc1 8734353 PJZREIVEMGKXGQ-HNNXBMFYSA-N 347.455 4.124 0 40 EIAB CCN(CC)c1ccc(Cl)cc1NC(=O)Cc1ccccc1OC 9220967 ZEWDGYGWCYRAPL-UHFFFAOYSA-N 346.858 4.376 0 40 EIAB COc1ccccc1-c1nnc(SCc2ccccc2Cl)[nH]1 10475485 ITQXCRCJHNNZAN-UHFFFAOYSA-N 331.828 4.426 0 40 EIAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 13012048 INFVHIDJXCXQOU-CYBMUJFWSA-N 328.437 4.015 0 40 EIAB O=C(Nc1ccnn1C1CCCC1)C1=Cc2cc(Cl)ccc2OC1 13017774 WHUJEKGSEWBLFB-UHFFFAOYSA-N 343.814 4.066 0 40 EIAB CC(C)=CCc1c(O)ccc2c1OC[C@H](c1ccc(O)cc1O)C2 14819422 HJYNNFAPXVIBTD-CQSZACIVSA-N 326.392 4.031 0 40 EIAB biogenic,in-vitro CC[C@H](NC(=O)CCOc1ccc(OC)cc1)c1ccc(C)cc1 15741681 AWCHXOGVJCEXBN-IBGZPJMESA-N 327.424 4.040 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 19934371 LJNKFJDSQZVAHE-HNNXBMFYSA-N 331.843 4.349 0 40 EIAB CCCCNc1nc(Nc2ccc(Cl)cc2C)c2cnn(C)c2n1 21873458 VOLQCOWTGKZZQB-UHFFFAOYSA-N 344.850 4.281 0 40 EIAB C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 24807899 ALAQHBOVNLNLBQ-NEPJUHHUSA-N 343.298 4.481 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1C 28266343 ZKIKLXFBXQUIPD-CYBMUJFWSA-N 325.437 4.352 0 40 EIAB CCSc1ncc(Cl)c(-c2nnc(-c3ccccc3C)o2)n1 28287731 XGSRUSBHRJALTM-UHFFFAOYSA-N 332.816 4.267 0 40 EIAB CC(=O)c1c(C)cc(C)c(CSCc2ccc(C(N)=O)cc2)c1C 29678204 MZDXKZMVMZEJNM-UHFFFAOYSA-N 341.476 4.347 0 40 EIAB C[C@H]1c2cccn2CCN1C(=O)CCC(=O)c1ccc2ccccc2c1 30263338 DDRNQBBKLUBEIK-INIZCTEOSA-N 346.430 4.208 0 40 EIAB Cc1cc(C(=O)Nc2nc(C3CC3)cs2)c2ccc(F)cc2n1 31917932 LCDYHLUWMKFLMC-UHFFFAOYSA-N 327.384 4.269 0 40 EIAB Cc1ccc2nc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)cn2c1 32829925 ICQLILBKEXORHS-GFCCVEGCSA-N 340.448 4.186 0 40 EIAB CC(C)c1cccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)c1 32858058 LLNDTPQKMKOIRW-IBGZPJMESA-N 339.435 4.197 0 40 EIAB Cc1csc(NC(=O)c2ccc(SCc3cscn3)cc2)n1 32905360 IJAOJWQOFKFZDO-UHFFFAOYSA-N 347.490 4.453 0 40 EIAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccccc1 33318257 HMWNIZVJJYDNBZ-DESBJYGPSA-N 336.416 4.349 0 40 EIAB Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 40108189 HAXVMUZEKPPLPJ-ZWKOTPCHSA-N 340.492 4.080 0 40 EIAB CC(C)c1noc([C@@H](C)S(=O)(=O)Cc2cccc3ccccc23)n1 46173752 BWUSXYLDAOGZSF-CYBMUJFWSA-N 344.436 4.022 0 40 EIAB CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 60376139 DPMVEZCHJVTKKC-DLBZAZTESA-N 345.874 4.009 0 40 EIAB CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1c(C)nn(C)c1C 71844133 UGSCCGRNAJAYCY-KSSFIOAISA-N 327.472 4.140 0 40 EIAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216050 REBOWGNXDPROHR-IBGZPJMESA-N 335.451 4.049 0 40 EIAB CCCCCNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 72302626 JRTBFUIVSRCCLU-DOTOQJQBSA-N 348.487 4.195 0 40 EIAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H]1c1ccc[nH]1 78641834 KFHKWVZDHUWBOL-SFHVURJKSA-N 326.440 4.189 0 40 EIAB C[C@H](c1ccccc1F)[S@@](=O)Cc1cccc(OC(F)F)c1 84660672 JICYOZWXWSJBRG-RKFFSXRUSA-N 328.355 4.437 0 40 EIAB CC1(C)CC(NC(=O)N2CCC[C@@H]2C2CCCCC2)CC(C)(C)N1 84673224 SZJXFIRFPHXCQS-QGZVFWFLSA-N 335.536 4.050 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@@H]1CCc2c(OC)cccc21 84802792 NHWKFNNRDKIGJX-GOSISDBHSA-N 340.423 4.041 0 40 EIAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1 85397492 GLUDMWNLWIKIIT-UHFFFAOYSA-N 339.416 4.484 0 40 EIAB FC(F)(F)COc1ccc(Cl)cc1NCc1nnc(C2CC2)o1 86196843 YJOFMXHGNWFKRZ-UHFFFAOYSA-N 347.724 4.154 0 40 EIAB Cc1ccc(C(=O)N(C)c2ccc(OCc3nccs3)cc2)cc1 89629595 KLMORPQWMOAJPU-UHFFFAOYSA-N 338.432 4.307 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccccc1 89828081 PXBLYTYLAWTBMV-KRWDZBQOSA-N 337.448 4.019 0 40 EIAB CC(C)n1nccc1NC(=O)CN(Cc1ccccc1)c1ccccc1 95422594 BWKZMUZIFRTHAB-UHFFFAOYSA-N 348.450 4.109 0 40 EIAB CSc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)ccn1 95940115 JNKAYWPETYSMOD-UHFFFAOYSA-N 338.354 4.025 0 40 EIAB CC[C@@H](C)CN1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96155786 ZXLWNXVYKLEHAH-MRXNPFEDSA-N 349.482 4.017 0 40 EIAB C[C@]12CC3CC(NC(=O)COc4ccccc4F)(C1)C[C@](C)(C3)C2 101213020 GUTREOVHCMJDDZ-VWQZVHOKSA-N 331.431 4.070 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102235523 KMGBJUJLCHILAK-IETPZCKNSA-N 335.875 4.357 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)C2 105548978 BIUVUWVCRZRZCI-VHFSOBRXSA-N 331.431 4.120 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC 224414158 ZJGAGNNFCAPYLC-UHFFFAOYSA-N 335.350 4.152 0 40 EIAB CCCOC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1 225448792 YUNKYBRLOUXDOK-OAHLLOKOSA-N 326.440 4.269 0 40 EIAB COc1cccc(CCCNC(=S)Nc2cccc(Cl)c2)c1 225552505 BYGUNDFBMAVVJD-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CCc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 226242588 QBGBQUKAGOUIKU-UHFFFAOYSA-N 334.213 4.278 0 40 EIAB Cc1noc(C)c1-c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)n1 257224942 FEAZKHBRHBWJJZ-QGZVFWFLSA-N 347.418 4.161 0 40 EIAB CC(C)C[C@@H](c1nc([C@@H](C)c2cccs2)no1)N1CCCCC1=O 273780391 DOGABJDNPNXSPF-KBPBESRZSA-N 347.484 4.383 0 40 EIAB CC[C@H](C)CNC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 306129119 HVAWNBRRJGJYQQ-HNNXBMFYSA-N 338.455 4.160 0 40 EIAB COc1ccc(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)cc1 408527427 FJZNXFZDVCSZNC-UHFFFAOYSA-N 340.766 4.025 0 40 EIAB O=C(COc1ccccc1)c1ccc(OC(F)(F)C(F)F)cc1 575242837 KZSAMMIWJFPOCN-UHFFFAOYSA-N 328.261 4.185 0 40 EIAB CSCC[C@@H](C(=O)Nc1nc2c(s1)CCCCC2)n1cccc1 575443385 UBQXTJLTPCZCDR-AWEZNQCLSA-N 349.525 4.146 0 40 EIAB Cc1cnc(Nc2cccc([C@@H]3CCCN(CC(C)C)C3)n2)s1 2037834787 OEZOQYPIKWBBNT-OAHLLOKOSA-N 330.501 4.426 0 40 EIAB CC(C)N(Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 2037963971 JGQCGMYRQWHWAY-BHDDXSALSA-N 339.479 4.258 0 40 EIAB COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCCC2)cc1 82238 KAQCQBSUUSBGRM-UHFFFAOYSA-N 344.480 4.222 0 40 EIAB O=C(O)Cc1cccc2c(=O)cc(-c3ccc4ccccc4c3)oc12 1584241 QTEYJXQDEBFAGS-UHFFFAOYSA-N 330.339 4.240 0 40 EIAB CN(C(=O)c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1 1704072 YVPVDAGXJROBPD-UHFFFAOYSA-N 344.414 4.240 0 40 EIAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2160323 MLMWYIPMBDVIHP-UHFFFAOYSA-N 347.414 4.337 0 40 EIAB biogenic O=C(Nc1ccc(Br)cc1)c1ccc2ncsc2c1 2631368 SLCTZCSIQHRSEA-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB CC(C)Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 2721538 BMTJXYLFEKSBEY-UHFFFAOYSA-N 335.451 4.055 0 40 EIAB COc1ccccc1[C@H]1N(Cc2ccc(Cl)cc2)C(=O)C1(F)F 3366359 YHFMDOAWUTUHEW-OAHLLOKOSA-N 337.753 4.067 0 40 EIAB Cc1ccccc1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 4033183 CJKDPQASEWGSLU-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB Cc1nn(C)c2nc(C(=O)Nc3ccc(Cl)cc3)cc(C3CC3)c12 4745570 BBAIVDFNHCVARD-UHFFFAOYSA-N 340.814 4.060 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccccc1 5173685 CUFBYGNVDHDHPA-HNNXBMFYSA-N 333.435 4.039 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nncn1C(C)C 5417368 XQVZMQWXICCFNR-GFCCVEGCSA-N 328.441 4.012 0 40 EIAB NC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 7022511 AJLMACDHGBPOFX-UHFFFAOYSA-N 330.598 4.325 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc(C)c1C 7779666 ZDJBAJJSYVUPGE-UHFFFAOYSA-N 331.437 4.411 0 40 EIAB Cc1cccc(-c2nnc(SCc3cn4cccc(C)c4n3)n2C)c1 8710177 JJQBAIKEIMOZGP-UHFFFAOYSA-N 349.463 4.039 0 40 EIAB Cc1ccc2nc(CCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1 8738104 RCFGGMZWTJDOHF-UHFFFAOYSA-N 327.815 4.404 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2c1C 8742365 RICHXPVQGAADRQ-UHFFFAOYSA-N 325.437 4.372 0 40 EIAB O=c1[nH]c2ccccc2nc1[C@@H](Nc1ccccc1)c1ccccc1 9009731 KOKWWRIPTLUQRH-IBGZPJMESA-N 327.387 4.125 0 40 EIAB CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C)cc3)nc2c1 9290305 VNGKCKYOJJVGRR-UHFFFAOYSA-N 341.436 4.001 0 40 EIAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H]3CCCC3=O)n2n1 12629023 TWSJWSLDHPNTON-MRXNPFEDSA-N 337.448 4.227 0 40 EIAB O=C1OC(c2ccccc2)=N/C1=C\C1=Cc2cc(Cl)ccc2OC1 12857943 QDVRLGWODLQKIR-SXGWCWSVSA-N 337.762 4.003 0 40 EIAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2N1 12931288 YTZDDGJBHRZQJV-LLVKDONJSA-N 335.190 4.058 0 40 EIAB CC(=O)c1ccc(NC(=O)CSc2nccc3ccccc23)cc1 15109031 DIHFIRVCZLJYKF-UHFFFAOYSA-N 336.416 4.168 0 40 EIAB S=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2c1CCCC2 16385522 SLWKHNJLAWYLMA-UHFFFAOYSA-N 326.252 4.314 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 16643815 WRNNFZSPEXRISP-UHFFFAOYSA-N 347.418 4.257 0 40 EIAB CC(C)CCNC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 16850351 GWBCVMGUBWABMD-UHFFFAOYSA-N 337.876 4.245 0 40 EIAB CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccc(OC)cc1 20625038 DWTARXZWTDTPOZ-KRWDZBQOSA-N 330.453 4.142 0 40 EIAB COc1cc(C(C)=O)ccc1OCC(=O)C12CC3CC(CC(C3)C1)C2 20890762 GOKHFABXDQOZIA-UHFFFAOYSA-N 342.435 4.062 0 40 EIAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1cc(F)c(F)cc1Cl 28242717 AGNBSNUQIKYLEB-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB CCOc1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1 28284362 YBPCBUSHYCYFFZ-UHFFFAOYSA-N 327.424 4.500 0 40 EIAB CSCc1nnc(SCC(=O)c2cc(C)c(C)c(C)c2C)o1 29917651 FQBIFHGILGZEER-UHFFFAOYSA-N 336.482 4.141 0 40 EIAB CN(Cc1nc(C2CC2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 32769908 ATAOVJDQTFMTHS-IBGZPJMESA-N 337.398 4.308 0 40 EIAB Cc1cccc(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)c1 35668616 YQGVUNALQLHEMU-UHFFFAOYSA-N 338.190 4.132 0 40 EIAB Cc1cc(C(=O)NC2CCCC2)c2c(-c3ccccc3F)noc2n1 36618463 OMPNFMHLSJDGEG-UHFFFAOYSA-N 339.370 4.010 0 40 EIAB CC1CCN(Cc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)CC1 38849201 QVGZTCCLYJYONY-UHFFFAOYSA-N 330.516 4.329 0 40 EIAB COc1cc(OC)c(OC)cc1CN[C@@H](c1ccccc1)C(C)C 39985621 MFQMCKPXPAMARV-HXUWFJFHSA-N 329.440 4.199 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1 48064881 LKQJHYYZPVEYSS-YKWSONSWSA-N 344.436 4.207 0 40 EIAB O[C@H](CN(Cc1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 48324958 HBFQCAFLJDRCPM-MRXNPFEDSA-N 341.398 4.465 0 40 EIAB Cc1nc2nc(SCc3csc(C(C)(C)C)n3)nn2c(C)c1C 48365339 MMAXZXRKVMFJFH-UHFFFAOYSA-N 347.513 4.096 0 40 EIAB COc1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 57316753 IZVILTVOTPTVIM-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl 57529600 HLAMDRGKWMQGOB-ACJLOTCBSA-N 328.843 4.011 0 40 EIAB O=C(OCc1noc(C2CC2)n1)c1c[nH]cc1-c1ccc(Cl)s1 63988732 GMXUCLZSBZAXBS-UHFFFAOYSA-N 349.799 4.014 0 40 EIAB CC(=O)Nc1nc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cs1 68301039 AOBYDZHYEZRUIC-KRWDZBQOSA-N 329.469 4.055 0 40 EIAB CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 69414838 MYVUZQCKURIPSH-CQSZACIVSA-N 345.418 4.018 0 40 EIAB CC(C)(C)CC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 69869876 LGNBYCZLLOHSKS-UHFFFAOYSA-N 343.496 4.347 0 40 EIAB O=C(c1sc2ccccc2c1Cl)N1CCC[C@@H](n2ccnc2)C1 70011784 CUIKFHCICFDDJD-GFCCVEGCSA-N 345.855 4.229 0 40 EIAB O=C(CSCc1cccnc1)Nc1cc(C(F)(F)F)ccc1F 71794717 UZVHVHCNQDKBCL-UHFFFAOYSA-N 344.333 4.111 0 40 EIAB Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 71977721 JXWQMVUAMZFCHS-UHFFFAOYSA-N 326.197 4.155 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 72214669 ZZRUGDURCJIHPO-INIZCTEOSA-N 333.476 4.390 0 40 EIAB Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C)c(C)c1C 72414239 RMRBCTBGSRSNNR-UHFFFAOYSA-N 340.448 4.269 0 40 EIAB Cc1sc2nc([C@H](C)Sc3nccn3C3CC3)nc(N)c2c1C 73395919 BBENNHHSJIMACE-JTQLQIEISA-N 345.497 4.275 0 40 EIAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccn(C)n3)cc2)n1 91695686 CPFHAKQKDICOPC-UHFFFAOYSA-N 346.356 4.234 0 40 EIAB Cc1noc(C)c1C[C@H](C)NC1CCN(c2ccc(Cl)cc2)CC1 95422806 WHCJKFLHDCXCTK-ZDUSSCGKSA-N 347.890 4.134 0 40 EIAB Cc1ccc(CN2CCCC3(CCN(Cc4ccccn4)CC3)C2)cc1 96047380 QMFKWIIUOZKBIO-UHFFFAOYSA-N 349.522 4.268 0 40 EIAB O=C(NCc1ccco1)c1cc2c(OCc3ccccc3)cccc2[nH]1 96096697 AHABPHJIULFGLB-UHFFFAOYSA-N 346.386 4.270 0 40 EIAB C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1nnc(-c2ccccc2)o1 97377364 TUTFZQHEQYIFEV-OAHLLOKOSA-N 345.406 4.155 0 40 EIAB Cc1c(Cl)cccc1NCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102207519 XUSIIMRXMNJIGG-KUHUBIRLSA-N 334.891 4.488 0 40 EIAB COc1ccc2oc([C@@H](C)NC(=O)Nc3ccncc3)c(C)c2c1 106501339 FBOYAGBRKKNXKS-GFCCVEGCSA-N 325.368 4.028 0 40 EIAB CC[C@H](C(=O)Nc1cc(C)ccc1NC(C)=O)c1ccc(OC)cc1 195211544 OUOHZRAFVOATDX-KRWDZBQOSA-N 340.423 4.094 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1sccc1C 222948501 CKFBTKVNCPWKNV-HUUCEWRRSA-N 331.510 4.224 0 40 EIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223080606 QDXVBYUQFWHOJJ-ZWKOTPCHSA-N 341.480 4.288 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COC(C)C 224717441 OYDVOGOUTBLGDS-UHFFFAOYSA-N 343.423 4.271 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1C 225437085 PKEQDLPUIYEWIO-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1 226039274 YDEYISULKOXVIT-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CO[C@@H]1CCC[C@H](C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 248149804 VNBQJFAKIYBISH-JZXOWHBKSA-N 343.467 4.144 0 40 EIAB O=C1CCCc2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2N1 252500881 TXQPKWSJHKFMEL-UHFFFAOYSA-N 347.777 4.398 0 40 EIAB C[C@H](NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1nccs1 252508203 XGCYFKDGJNFDGJ-IAOVAPTHSA-N 339.464 4.234 0 40 EIAB C[C@H](NCC1(c2ccccc2Cl)CC1)c1cn2ccccc2n1 556264391 NMPBMTRJPYKBJX-AWEZNQCLSA-N 325.843 4.370 0 40 EIAB C[C@@H](CN(C)Cc1c(C(=O)O)sc2ccccc12)c1nccs1 578199818 XSRYAZJSOZWUMB-NSHDSACASA-N 346.477 4.292 0 40 EIAB CCc1ccc(OC)c(S(=O)(=O)NC(C)(C)CCC(C)(C)C)c1 584906308 WMDWCILJPHBJDF-UHFFFAOYSA-N 341.517 4.141 0 40 EIAB c1cc(CN2CCC[C@@H](c3cccc4nccn34)C2)c2cc[nH]c2c1 585182556 NZDLJHHBLWIFOV-QGZVFWFLSA-N 330.435 4.195 0 40 EIAB COc1ccc([C@@H]2C=COc3n[nH]c(-c4ccccc4)c32)cc1OC 103866 AJUTUTAZOIBERA-HNNXBMFYSA-N 334.375 4.132 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OCC 147383 QELKMRHCDGLMDQ-ACCUITESSA-N 325.408 4.444 0 40 EIAB Nc1ccc2oc(-c3ccc(-c4nc5cc(N)ccc5o4)cc3)nc2c1 236193 DIXHWJYQQGNWTI-UHFFFAOYSA-N 342.358 4.467 0 40 EIAB CN(C)c1nc(SCc2ccc(Cl)cc2)nc2c1CCCC2 1403600 FXWZXAMYPOULGR-UHFFFAOYSA-N 333.888 4.367 0 40 EIAB CC(C)(C)C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2 1581170 WWONWDKFZWLQQV-UHFFFAOYSA-N 336.564 4.027 0 40 EIAB in-vitro CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(F)c1)C3 2201814 PFIBIXAFCZDZAP-UHFFFAOYSA-N 339.366 4.241 0 40 EIAB CCOc1cc(-c2nnc(-c3cccs3)o2)ccc1OC(F)F 2804204 CIDQVQUMTYBLFR-UHFFFAOYSA-N 338.335 4.465 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)COc2cc(Cl)ccc2Cl)c1C 3597742 GLIJNIXXBFZCDN-UHFFFAOYSA-N 340.206 4.403 0 40 EIAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ns1 4167218 QZEMIIIPPCRNMB-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 4484934 IQKBAQYTPYKTKN-PWSUYJOCSA-N 337.876 4.003 0 40 EIAB Fc1ccccc1[C@H]1C=C(C23CC4CC(CC(C4)C2)C3)NC(=S)N1 4670991 UPKAHAZHIKRGTE-ANCGMVAHSA-N 342.483 4.445 0 40 EIAB CCc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1 5713710 VLWSZSFFTHCIQT-UHFFFAOYSA-N 347.414 4.127 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F 5869162 LIGKCYMHHWVDBP-QMMMGPOBSA-N 329.705 4.163 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 6235900 VEBGZDIXQYTOFN-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB O=C(c1ccccc1F)N(Cc1ccco1)Cc1ccccc1F 6747656 JLDBRWPZVMMCSO-UHFFFAOYSA-N 327.330 4.400 0 40 EIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 7195180 YSSPZXBFJGELGE-LLVKDONJSA-N 344.392 4.010 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C 7637903 MACNXYIEEJQPFE-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB Cc1ccc(OCc2nc(-c3cccc(Br)c3)no2)cc1 7781221 LLMMFSCBKXBGMM-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)COc1ccc2ccccc2c1 7829619 HVOIAYNGDWSSBF-AWEZNQCLSA-N 337.444 4.426 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(Cl)ccn1 7990006 LVGGYGAENGIQSS-UHFFFAOYSA-N 329.614 4.314 0 40 EIAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)cc1 8162828 VSTLFEMLSUCILX-FUNAXGEOSA-N 339.435 4.293 0 40 EIAB CCOc1c(Br)cc(CNC2CCCCC2)cc1OC 8253333 NBOHMJUDSXMBTB-UHFFFAOYSA-N 342.277 4.279 0 40 EIAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2O)cc1 8404708 OMMBTUQVXULKMJ-UHFFFAOYSA-N 327.424 4.487 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nc3c(s2)CCCC3)c1 8673571 PFCGMYLNRNSBAJ-ZDUSSCGKSA-N 330.453 4.045 0 40 EIAB Cc1cc(C)n(C[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 8714387 BSRZCCKLHKRNLW-SECBINFHSA-N 326.227 4.082 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 10329697 OKJHMWZAFZQHIL-HXUWFJFHSA-N 336.410 4.012 0 40 EIAB CC[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(F)cc1 12116886 QCBOKVPUEHWGKM-KRWDZBQOSA-N 337.398 4.405 0 40 EIAB Cc1c(C(=O)NCc2noc(-c3ccccc3)n2)oc2c(C)cccc12 12203038 CBLPVJLBHTXARP-UHFFFAOYSA-N 347.374 4.030 0 40 EIAB COC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 12395797 KEMLXPTVXVPCOK-UHFFFAOYSA-N 336.372 4.405 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1 12435666 YWRLWRCOYMBOMM-UHFFFAOYSA-N 346.789 4.009 0 40 EIAB Cc1ccc(OCc2nnc(-c3ccccc3)o2)c(Br)c1 12616826 WOMXQVJNOSXLPG-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB O=C(NCc1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 12825738 TXGHDXDNCUNDKV-UHFFFAOYSA-N 335.394 4.121 0 40 EIAB COc1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 12912620 VZXIASGGKIQGOO-UHFFFAOYSA-N 338.329 4.378 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)NCCCc1ccccc1 13673123 BRSVMGGHWPHQAH-UHFFFAOYSA-N 331.843 4.248 0 40 EIAB CCN(CC)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 13799000 DHZBQILVYBCMDO-UHFFFAOYSA-N 343.452 4.070 0 40 EIAB CC(C)C[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1 18131193 QXURKCDPPKSCTK-INIZCTEOSA-N 347.256 4.361 0 40 EIAB CCc1ccc(N2C(=O)CS[C@H]2c2cc(OC)ccc2OC)cc1 19927369 XNOICCLZDJFKJD-IBGZPJMESA-N 343.448 4.045 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)c(Cl)c1 20046610 CNADVGLNVSUZCY-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB CSc1nc(NC2CCCCC2)c2c3c(sc2n1)CN(C)CC3 20393957 IBPVIYLJWYFOSC-UHFFFAOYSA-N 348.541 4.146 0 40 EIAB COc1ccccc1C(=O)OCc1cc(-c2cc3ccccc3o2)on1 22768991 ZDMCDDZGFCOXQR-UHFFFAOYSA-N 349.342 4.453 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC([C@H](O)c2ccccc2)CC1 23383831 HAQAAFKRVMWQOD-HXUWFJFHSA-N 335.403 4.019 0 40 EIAB CN(CCC(=O)Nc1ccccc1Cl)[C@@H]1CCc2ccccc21 26915743 QAJOMRQOPAKEAP-GOSISDBHSA-N 328.843 4.288 0 40 EIAB O=C(CSc1noc(Cc2ccccc2)n1)c1ccc(Cl)cc1 28526995 FOBSHJLLZDJYET-UHFFFAOYSA-N 344.823 4.289 0 40 EIAB CC(C)[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccccc1 32672085 QDUHPVMHZYRKEX-GOSISDBHSA-N 345.826 4.089 0 40 EIAB CN(C)Cc1cccc(CNC(=O)c2cc3c(s2)CCCCC3)c1 33084732 JPUNRTLPXUOFSO-UHFFFAOYSA-N 342.508 4.009 0 40 EIAB Cc1ccc(Oc2cccc(NC(=O)c3ccccc3Cl)c2)nn1 38670757 BMZYYOIDSGUZAX-UHFFFAOYSA-N 339.782 4.483 0 40 EIAB COc1ccc(C2(CNC(=O)Nc3cccs3)CCCC2)cc1 38940193 SIENRWJFZRYQGA-UHFFFAOYSA-N 330.453 4.390 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1cccc2cccnc12 40034485 VQHZBGXZUOTLQG-UHFFFAOYSA-N 342.801 4.228 0 40 EIAB O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccncc1 47287253 WJWQOXKUYZFKJS-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccc(F)cc1 58157886 FFWIBCSIFAAZFF-AWEZNQCLSA-N 336.410 4.386 0 40 EIAB C[C@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 58167231 WXNDFKXIAJAKMC-GXFFZTMASA-N 340.250 4.071 0 40 EIAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 59737992 NOXKPNLEZKPKLE-INIZCTEOSA-N 325.452 4.376 0 40 EIAB CCOc1cccc([C@H](C)NC(=O)Nc2ccccc2COC)c1 63391300 JVBRSGHKZAHKTF-AWEZNQCLSA-N 328.412 4.114 0 40 EIAB C[C@@H](O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 64931291 BDIXDKRWWBOYQU-SECBINFHSA-N 330.737 4.419 0 40 EIAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2cc(C)oc2C)c1 65610291 ZWFNHCKIWJFDGQ-ZDUSSCGKSA-N 343.427 4.436 0 40 EIAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(Nc2ccccc2)CC1 69895468 MOPBJIITZQASBA-INIZCTEOSA-N 348.450 4.374 0 40 EIAB CSCc1ccnc(NC(=O)c2c(-c3ccccc3)noc2C)c1 70037485 CLGQUNGSTOHOHG-UHFFFAOYSA-N 339.420 4.160 0 40 EIAB CC(C)Oc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nccs2)cc1 71879726 VHNVUBVNUPAOAF-STQMWFEESA-N 333.457 4.052 0 40 EIAB CCOc1ccccc1NC(=O)Cc1cccc(Br)c1 72064054 VBTKSZBBMWJZIH-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216078 ZJLIMKFYTVFFRH-HXUWFJFHSA-N 349.478 4.439 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccccc2Cl)C1 72404820 XKPMNVAEBVEZLG-ZDUSSCGKSA-N 327.771 4.301 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2nc3ccccc3s2)cc1C 72414467 UHDLKUAZQWBTCQ-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB CCN(Cc1ccccn1)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 84442149 XSPHNDSEMOWZFU-GOSISDBHSA-N 345.393 4.043 0 40 EIAB Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 86071020 NHDHWADAWYYDPF-UHFFFAOYSA-N 340.471 4.061 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)c1 88350966 DHJGISXDCKIPDA-LLVKDONJSA-N 347.365 4.114 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 95413277 UJBRODXKVWCLAA-YOEHRIQHSA-N 346.427 4.009 0 40 EIAB CC(C)n1cc([C@H](C)NCc2ccnc(N3CCCCCC3)c2)cn1 95422139 VGQPEVSFNNUVKV-KRWDZBQOSA-N 341.503 4.090 0 40 EIAB COc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)c1 96470996 INQVCCBEEVPGCA-GUYCJALGSA-N 346.452 4.059 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 113932640 NWRJNCSKSSXMAP-OAHLLOKOSA-N 329.465 4.363 0 40 EIAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 113942898 UTYNGPHTXRMAFX-CQSZACIVSA-N 347.842 4.049 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(Cl)cc2)cc1 113969053 XIOYEWGJIQKXKJ-GOSISDBHSA-N 331.843 4.376 0 40 EIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1C 222579423 GUQILYDJLXAVSO-UHFFFAOYSA-N 335.382 4.460 0 40 EIAB CC(C)c1ccc(CCCNC(=O)COc2ccc(F)cc2)cc1 222786828 YCNFVUSHMFAGFZ-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB COc1ccc(CCC(=O)NCCCc2ccc(Cl)cc2)cc1C 223901092 PNTOCOWFUKXUIF-UHFFFAOYSA-N 345.870 4.339 0 40 EIAB CCOC(=O)c1cc(NC(=O)Cc2ccc(CC)cc2)ccc1Cl 224519316 OXKWIUBZUPEUQI-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB COc1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 225656093 QIIGLAKQLHFBTP-UHFFFAOYSA-N 343.423 4.397 0 40 EIAB C[C@@H]1CC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)[C@H](C)C1 230464194 GAGLPYAGTBOIND-QQIMEZCUSA-N 349.540 4.351 0 40 EIAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 408767261 YSAYKMZVSDFZRH-WTGUMLROSA-N 341.410 4.055 0 40 EIAB c1nnc(-c2ccc(Oc3nc(C4CCCCC4)ns3)cc2)o1 571069855 HPHMBYHMALLFKR-UHFFFAOYSA-N 328.397 4.428 0 40 EIAB CCCCN1CCC[C@@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 585099949 ATXMBVMHOLAAKB-OAQYLSRUSA-N 328.500 4.142 0 40 EIAB O=C(O)[C@@]12C[C@@H]3C[C@H](C1)C[C@@](C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 2060999686 GLJDZZQQPFAEPQ-RWRJDSDZSA-N 330.268 4.193 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1 243251 CMZDFVXFSUPBOF-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 288830 PUIUZUHICNWZPJ-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)N(CCO)Cc1ccccc1 1739915 FIDBLHGMXRFTCF-UHFFFAOYSA-N 339.222 4.020 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 3359823 DFIFNYVDELTLFT-FQEVSTJZSA-N 345.446 4.297 0 40 EIAB O[C@@H](CN[C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 3401915 IFKJZRBFDUBHHF-REWPJTCUSA-N 347.458 4.247 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@H]2c1ccc(Cl)cc1Cl 4276793 SZTXBSVQOKSIKW-RDJZCZTQSA-N 347.201 4.226 0 40 EIAB CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccoc1C 5364773 DGJOYAKPOXOPTE-UHFFFAOYSA-N 347.415 4.306 0 40 EIAB COc1ccc(CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 6378207 AMKSADRGMGCDAB-JXMROGBWSA-N 335.325 4.044 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(F)cc1 7094335 ZDLCKMAMSZPRMO-UHFFFAOYSA-N 341.810 4.168 0 40 EIAB COc1ccc(C)cc1CSc1nncn1-c1ccccc1F 7372769 ZXNXSJSWBNZGFJ-UHFFFAOYSA-N 329.400 4.016 0 40 EIAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCCC1 7492038 LHLGZCNQCVYROW-UHFFFAOYSA-N 334.891 4.001 0 40 EIAB CCOc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603085 VMFLSGQWZOPDCD-WJDWOHSUSA-N 341.388 4.444 0 40 EIAB COc1ccccc1CSc1nc2ccccc2c(=O)n1C1CC1 7860998 RBXGCBAEKSUISS-UHFFFAOYSA-N 338.432 4.032 0 40 EIAB CCCCn1nc(C)c(C(=O)Nc2ccc(F)cc2F)c1Cl 8076493 MHIGOJJMYMKVFV-UHFFFAOYSA-N 327.762 4.176 0 40 EIAB Cc1occc1-c1nnc(SCCOc2cccc(Cl)c2)n1C 8428797 WTRQHGDPKYSNLP-UHFFFAOYSA-N 349.843 4.208 0 40 EIAB O=S(=O)(NCc1ccccc1)c1ccc(C2CCCCC2)cc1 9061991 NWFJZYILCAYEEC-UHFFFAOYSA-N 329.465 4.213 0 40 EIAB COc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1F 9802599 ZLZYBTZVGISIAW-NSHDSACASA-N 332.400 4.253 0 40 EIAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 9996087 IWJOZZPTZZELIT-HNNXBMFYSA-N 326.396 4.413 0 40 EIAB O=C(NCCCc1ccccc1)c1ccc(CN2CCCCC2)cc1 10110337 CAWZPYPODLBAPS-UHFFFAOYSA-N 336.479 4.035 0 40 EIAB Cc1cc(-c2csc(NC(=O)Cc3cccs3)n2)c(C)n1C 10220061 KRJFEWSGGOFIMW-UHFFFAOYSA-N 331.466 4.008 0 40 EIAB Cc1cc(C)cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 10903425 GSGHAHNHVKGHHR-UHFFFAOYSA-N 347.462 4.095 0 40 EIAB COc1ccc(C(C)=O)cc1COc1ccc(C)c2c1C(=O)C[C@H]2C 11052736 WHHINTCBJMIWQD-CYBMUJFWSA-N 338.403 4.475 0 40 EIAB FC(F)(F)c1cccc(-c2csc(NC[C@@H]3CCCO3)n2)c1 12505477 LSWOPIZXCNERED-LBPRGKRZSA-N 328.359 4.420 0 40 EIAB CCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 12539536 SVKAOORHTBPJNA-CQSZACIVSA-N 325.412 4.311 0 40 EIAB CCOCCCNC(=O)c1cccnc1Sc1cc(C)ccc1C 12741580 HCUUOLQYLCTEIK-UHFFFAOYSA-N 344.480 4.006 0 40 EIAB O=C(O)c1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1 13091889 DYFBGTKJKSLBAK-UHFFFAOYSA-N 345.807 4.183 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccnc1 13691211 ZMHJZKCSXOFXCS-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C(Nc1cccc(F)c1)c1ccc(COc2ccc(F)cc2)o1 14427803 MZEWPJRLGZYBQB-UHFFFAOYSA-N 329.302 4.389 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1F 15092517 CUWVYAPUJGTCNK-ZDUSSCGKSA-N 327.399 4.204 0 40 EIAB O=C(CSc1ccccc1)Nc1ccccc1N1CCCCC1 15309177 YTVQRQDEZIJMQK-UHFFFAOYSA-N 326.465 4.408 0 40 EIAB O=C(Nc1ccccc1Br)c1ccc(Cl)cc1F 15576928 MFDIGRIZTXPNKD-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1ccnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 17070649 MXYQMKTWKBYNBG-KRWDZBQOSA-N 335.432 4.257 0 40 EIAB c1ccc(CNCc2ccc(OCCOc3ccccc3)cc2)cc1 19737833 ICOXFVIYZXWJFH-UHFFFAOYSA-N 333.431 4.434 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC 20037866 PYPMXRLOJWULOI-YCABEKBOSA-N 339.435 4.211 0 40 EIAB O=C(O)c1cc(NC(=O)c2cccc3ccccc23)ccc1Cl 20138900 MYAFKLXHNZGZEB-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB COc1cc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc(Cl)c1O 20272903 KTUQEGLCZKUNHW-UHFFFAOYSA-N 330.767 4.444 0 40 EIAB O=C(COc1cccc2[nH]ccc12)Nc1cccc(C(F)(F)F)c1 20744981 HUNOZCQFBMIJKG-UHFFFAOYSA-N 334.297 4.204 0 40 EIAB CC1CCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1 22526986 BKFSPFKDKVGQKA-UHFFFAOYSA-N 334.463 4.121 0 40 EIAB Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(F)cc1 26047038 DFMPEYRWXMOZHY-UHFFFAOYSA-N 326.396 4.295 0 40 EIAB COc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222552 SVNYVMJEQIWGGK-OAQYLSRUSA-N 347.462 4.107 0 40 EIAB O=C(CCc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)n[nH]1 28245855 CEYPMJYUQJIYIM-UHFFFAOYSA-N 325.799 4.301 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)c2ccccc2n1 28577080 KVXDVFWPRHBGLQ-UHFFFAOYSA-N 342.402 4.040 0 40 EIAB COc1cccc(CC(=O)N[C@H](c2cccs2)C2CCCC2)c1 32398261 FKQRHTWBXRWFGQ-IBGZPJMESA-N 329.465 4.347 0 40 EIAB CCSc1nnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)s1 32760352 OJXWQQDIDPBAOL-UHFFFAOYSA-N 338.845 4.037 0 40 EIAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1F 32779591 JCJXVVNEDVSKSF-UHFFFAOYSA-N 342.292 4.388 0 40 EIAB COc1cccc(/C=C/c2ccc(Br)s2)c1C(=O)O 35973563 SYFWYIKNPGCAEI-AATRIKPKSA-N 339.210 4.388 0 40 EIAB O=C(CCSc1nc2ccccc2[nH]1)Nc1cccc(Cl)c1 40025038 YVXXLARTAXRPDK-UHFFFAOYSA-N 331.828 4.337 0 40 EIAB O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1ccccc1 40088153 GBYYFWCNLPSVBJ-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB COc1ccc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1OC 40088619 FSFGVNBLSLRHKA-JKSUJKDBSA-N 335.488 4.407 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1Cl 44905022 HVACZTZDWPPKRV-UHFFFAOYSA-N 349.839 4.248 0 40 EIAB Cc1noc(C)c1CNc1cc(Cl)ccc1C(=O)N1CCCCC1 47272918 BESUQPSVPWICLZ-UHFFFAOYSA-N 347.846 4.183 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)s1 48235808 XHDDXPIIDJXQHW-UHFFFAOYSA-N 339.420 4.006 0 40 EIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)ccc1-c1ccccc1 56655292 CBNYKQYETYXWEO-UHFFFAOYSA-N 348.333 4.180 0 40 EIAB COc1cc(C)ccc1Oc1ccc(F)cc1NCc1nc(C)no1 58158273 HXQDMUNLFJPRQW-UHFFFAOYSA-N 343.358 4.239 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2ccc(N)cc2Br)c1 61665850 PIMGVIICNVSFHW-UHFFFAOYSA-N 349.228 4.071 0 40 EIAB O=C(NCc1nc(-c2cccs2)n[nH]1)Nc1cccc2ccccc12 66595095 VAPPJNIWEUBAFH-UHFFFAOYSA-N 349.419 4.008 0 40 EIAB CSc1nnc(CNC2(c3ccc(Cl)cc3)CCC2)s1 69658425 ACOLSAWPYLHNEZ-UHFFFAOYSA-N 325.890 4.082 0 40 EIAB CCCCN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214504 MWIZVTIQYJNGKD-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 72215051 IXJABAUYGIJJIQ-MRXNPFEDSA-N 333.476 4.438 0 40 EIAB Cc1ccc(C)c(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 72331315 QSAAWFACXFIITA-UHFFFAOYSA-N 346.833 4.058 0 40 EIAB Cc1cc(C(=O)N(C)[C@@H](C)c2cccnc2)cc(C)c1OC(F)F 78562114 YQDYEJPYFHKIIJ-ZDUSSCGKSA-N 334.366 4.133 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1Cl 85472016 VXQFCPWYQVCBPC-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB C[C@@H](Cc1ccc(Br)cc1)N[C@@H](C)c1nccs1 86509023 KFZGNWRZNDFOBI-QWRGUYRKSA-N 325.275 4.187 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 89263148 SKHVZQFMPLKXBO-UHFFFAOYSA-N 340.330 4.024 0 40 EIAB CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1ccccc1F 89356037 IILHQBLLUPDWIS-IBGZPJMESA-N 329.415 4.016 0 40 EIAB Cc1nc(CC(=O)NCc2ccccc2)sc1-c1ccc(F)cc1 95427184 AFCWPDRNUGDEPT-UHFFFAOYSA-N 340.423 4.117 0 40 EIAB COC(=O)C[C@@H](C)S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 96409803 PUGOUUJZFISPSY-NXEZZACHSA-N 340.832 4.136 0 40 EIAB CCn1ccc2ccc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)cc21 97113308 AIGLUNJHBZUHGJ-KRWDZBQOSA-N 337.427 4.143 0 40 EIAB CCOC(=O)[C@@H](N)[C@H](O)CCCCCCCCCCCC(C)C 205471859 QCSTXHIBWMQIGZ-MSOLQXFVSA-N 329.525 4.185 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)ccc1Cl 222849393 NRHJJATWOLBVPJ-AWEZNQCLSA-N 349.833 4.304 0 40 EIAB CC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(OC)c(C)c1 223465564 VLHVOFKFYDVMCW-GOSISDBHSA-N 329.415 4.343 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCCOc2ccccc2C(C)C)c1 223781743 BDJMABUMKQTXGN-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CCCCNC(=O)c1ccc(OCC)c(COCc2ccccc2)c1 224744236 OKHBNEYMYUCJOM-UHFFFAOYSA-N 341.451 4.332 0 40 EIAB CCc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1 225113436 GMKINTKDGQWWED-UHFFFAOYSA-N 347.911 4.495 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 225188968 NISALAVTEBAQLG-QGZVFWFLSA-N 325.452 4.430 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1F 225604052 VFAKAZMVJFCZHA-AWEZNQCLSA-N 349.471 4.471 0 40 EIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(C)C 225667969 KUQOODIWABLSRZ-OAHLLOKOSA-N 347.480 4.167 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(C)cc2C)cc1 225761724 CLRWHVPKSJYVTH-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NC2(C(C)C)CCCC2)c(C)c1 225864876 HDIRJORJFNJPOI-UHFFFAOYSA-N 348.512 4.427 0 40 EIAB CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2N)CC1 226266401 LNCGFGORJYGJCF-UHFFFAOYSA-N 343.858 4.411 0 40 EIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cccs2)S1 408816424 YQPCGGQFWXCUDI-UHFFFAOYSA-N 335.861 4.473 0 40 EIAB CN1C(=O)CCc2cc(NC(=O)c3ccc(F)c4ccccc34)ccc21 530369880 JHPVVSMORPREAI-UHFFFAOYSA-N 348.377 4.140 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@@H](C)Cc1csc2ccccc12 575619356 DGHWRWJHENDRRR-LBPRGKRZSA-N 342.464 4.186 0 40 EIAB Cc1cc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)on1 585117656 QDPJGBBOSQXCIB-UHFFFAOYSA-N 328.416 4.003 0 40 EIAB Cc1ccncc1CC(=O)N1CCCSc2cc(Cl)ccc21 637738022 SEQMBZCKRSVPTG-UHFFFAOYSA-N 332.856 4.115 0 40 EIAB c1ccc2oc(-c3nnc4n3CCCC[C@H]4C3CCOCC3)cc2c1 1616038513 OOEMSHBBUVYMEX-INIZCTEOSA-N 337.423 4.385 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ccc(Br)o1 514167 BGDGUYOGINFGGR-UHFFFAOYSA-N 344.990 4.057 0 40 EIAB Fc1cccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 1018231 BXLPDHVMMRZSRY-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB Cc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 1336614 ALERYJZNGJJJKB-UHFFFAOYSA-N 340.398 4.261 0 40 EIAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl 1922424 FLLIGTSAZGRQBT-MRVPVSSYSA-N 344.219 4.239 0 40 EIAB Cc1ccc(OCCSc2nnc(C)n2-c2cccc(C)c2)cc1 4675580 RAZVQASVUVAGDD-UHFFFAOYSA-N 339.464 4.364 0 40 EIAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 4991823 HAHPOTFSPOCDKU-APSNUPSMSA-N 349.217 4.109 0 40 EIAB O=C(COc1ccc(Cl)cc1)N[C@H]1CCSc2ccccc21 5425694 QOFKFFCCOUEDIH-HNNXBMFYSA-N 333.840 4.072 0 40 EIAB C[C@H]1C[C@H]1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5693434 NODMWGQCDYQKDU-XJKSGUPXSA-N 333.387 4.217 0 40 EIAB CCOc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 6333460 XPZCAOZAOVPESA-SFHVURJKSA-N 326.465 4.449 0 40 EIAB Cc1ccc2nc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c2c1 6506583 NSDLTOVFWOGOCA-UHFFFAOYSA-N 329.400 4.050 0 40 EIAB COc1cccc(OCCCN2CCCC[C@@H]2c2cccnc2)c1 6624523 BIJAOTQPTHIZPE-HXUWFJFHSA-N 326.440 4.086 0 40 EIAB biogenic COc1ccc(CN(C)C(=O)CCSc2ccc(C)cc2)cc1 7871791 NOGCESSEWSAYSD-UHFFFAOYSA-N 329.465 4.144 0 40 EIAB CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 7969774 PVDCDPAPMMLEOF-IFXJQAMLSA-N 327.424 4.472 0 40 EIAB Cc1nc2ccc(OCc3ccccc3)cc2c(O)c1CN1CCCC1 8572503 LVHWEBTWIARMFY-UHFFFAOYSA-N 348.446 4.424 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc2cccnc12 9221091 OYOZSVKXJUTODQ-UHFFFAOYSA-N 331.419 4.396 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 9721771 KTKYMFJXFQKATG-KRWDZBQOSA-N 338.407 4.135 0 40 EIAB Cc1csc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)n1 10554590 ZUECJKYIFSLDIL-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB COc1ccc(NCc2nc(-c3ccccc3OC)no2)cc1Cl 11257111 PNWHQSGNDORYSV-UHFFFAOYSA-N 345.786 4.019 0 40 EIAB COc1ccc(-c2cc(CSc3nc(C)c(C)c(C)n3)on2)cc1 11423877 DVGWUJNWLAFXPO-UHFFFAOYSA-N 341.436 4.358 0 40 EIAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccccc1 12851242 PEWBYZBPUTWGCP-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 13014689 KIIOMZVUVAOPIF-AWEZNQCLSA-N 348.855 4.035 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 16985243 JUYJZCGZRGQXPO-UHFFFAOYSA-N 345.826 4.036 0 40 EIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSCc1ccccc1 20064356 UIAJJSYFILRZLN-CQSZACIVSA-N 329.440 4.427 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)cc1 20486253 FVTYVWBDESMZIB-GOSISDBHSA-N 347.842 4.001 0 40 EIAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H]1c1ccccc1 22328731 AOTYLXRDAOKUHX-SJLPKXTDSA-N 341.838 4.255 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1cccc2ccccc12 22558515 KJAUGXGZXNVNDF-UHFFFAOYSA-N 329.403 4.391 0 40 EIAB COc1cccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126379 CPJZEQQKESDJDT-UHFFFAOYSA-N 348.427 4.182 0 40 EIAB Cc1nn(CN(C)[C@H](C)c2nc3ccccc3s2)c(=S)s1 24013791 MPSJNRWSBAXURX-SECBINFHSA-N 336.511 4.243 0 40 EIAB Cc1ccsc1CNC(=O)c1sc(Cc2ccccc2)nc1C 24695973 WNWLBBURMSMLOJ-UHFFFAOYSA-N 342.489 4.342 0 40 EIAB C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 24760025 XXVKSSJOWRSXRB-VIFPVBQESA-N 349.253 4.483 0 40 EIAB Clc1cc2c(c(CN3CCC[C@@H]3Cc3ccccc3)c1)OCOC2 25358646 GEMZUJJIJKLUJQ-LJQANCHMSA-N 343.854 4.414 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2C)cc1 27886640 BVBNTOIMXDOPBP-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)no1 31158743 JZSALGZXWYCIOM-LJQANCHMSA-N 337.423 4.151 0 40 EIAB CC[C@H](NC(=O)Cc1cccc(OC)c1)c1ccccc1OC(F)F 31756154 OFHDKVOSVSZKRC-INIZCTEOSA-N 349.377 4.107 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 32777639 QLLGRFSREQQRPP-ZTFGCOKTSA-N 334.891 4.172 0 40 EIAB Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 32818801 PUBHGGXWPLSYAS-FQEVSTJZSA-N 345.446 4.047 0 40 EIAB CCc1noc(CSc2nccn2-c2cccc(Cl)c2C)n1 32905138 KXPOXONQEKXULH-UHFFFAOYSA-N 334.832 4.072 0 40 EIAB CC(C)(C)c1nc2ccccc2c2nnc(SCc3ccccn3)n12 35314315 JCFXUXFBETXGMR-UHFFFAOYSA-N 349.463 4.262 0 40 EIAB Fc1ccccc1OCCSc1nnc2sc3ccccc3n12 36676701 LEOGFJVGYMEZQS-UHFFFAOYSA-N 345.424 4.254 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc(F)cc(F)c2)o1 36740262 XQSWBUOABHDBIE-UHFFFAOYSA-N 345.393 4.155 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 48276242 RFMDRSOEPSHPEA-CQSZACIVSA-N 343.477 4.485 0 40 EIAB C[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1ccc2ccccc2c1 58226868 FGQJASTWMMPNAI-QGZVFWFLSA-N 348.446 4.105 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)N1CCOc2ccccc21 58356339 FBFKLOCPIZJMHZ-UHFFFAOYSA-N 345.398 4.158 0 40 EIAB Cc1nc(CSc2nnc(-c3c[nH]c4ccccc34)o2)oc1C 60533514 FSMKDECRUMUHFT-UHFFFAOYSA-N 326.381 4.115 0 40 EIAB C[C@H](N[C@@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 69416034 ZRGIKZAPHZJEGZ-SUMWQHHRSA-N 326.444 4.314 0 40 EIAB Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N1CCCC1 72218829 FUMSEGFGNBNFLX-QGZVFWFLSA-N 345.487 4.452 0 40 EIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)s1 76044480 FPOYGYCUNRHSFP-MGPQQGTHSA-N 345.468 4.030 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)N[C@H](c1nccs1)C1CC1 89885078 FEZIHRRZMCPGEU-HNNXBMFYSA-N 345.472 4.118 0 40 EIAB C[C@H](NCc1cn2cc(Br)ccc2n1)c1ccsc1 95420692 UYSVOWPGRLCWSS-JTQLQIEISA-N 336.258 4.009 0 40 EIAB Fc1cc(CNc2ccc(-c3nnco3)cc2)ccc1OC(F)F 97229686 BWDVFDIOOAGPOQ-UHFFFAOYSA-N 335.285 4.089 0 40 EIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cc(F)cc(F)c1 101789069 JKJSRGZGYHQZBG-WZUFQYTHSA-N 344.748 4.272 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)cc1 219604949 WTUPOUSDWAUDFU-SFHVURJKSA-N 347.842 4.001 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)COc2ccc3ccccc3c2)c1 224042660 VGECKNWFPROGQW-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 225042969 VJAGVXCLBYMZOJ-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB Cc1cccnc1NC(=S)NCc1ccc(Cl)cc1Cl 225308255 XGABDYZWAPYPGM-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(C)c(C)c2)c1 225700452 PELSBTNYBYADIJ-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB O=C(Nc1cccc(Br)c1)c1conc1-c1ccccc1 225871161 BCGKDMUQVNPQCP-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB O=C(NC1CCCCCCC1)c1cc2cc(Cl)ccc2oc1=O 226042277 YTYMTWGWLFYYPF-UHFFFAOYSA-N 333.815 4.289 0 40 EIAB CCC[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 226774265 DAVQNDVWZXXMQE-UHFFFAOYSA-N 334.262 4.423 0 40 EIAB CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409098595 QTGPARLFYPISJT-MDWZMJQESA-N 325.817 4.183 0 40 EIAB O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cnn(C(F)F)c1 631786634 AQHIDABIBNVJON-UHFFFAOYSA-N 346.164 4.004 0 40 EIAB Cc1noc(C)c1-c1ccc(CNC(=O)c2ccc(Cl)s2)o1 1889176618 BEDLIGIDSWTYOS-UHFFFAOYSA-N 336.800 4.196 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 503800 RVPRDXUQZPVHBY-UHFFFAOYSA-N 332.407 4.190 0 40 EIAB COc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1 917578 CNZULZIBEFIYET-UHFFFAOYSA-N 349.415 4.293 0 40 EIAB Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)N3N=NNC3=N2)cc1 1773910 XCJWPTPCGFSNFQ-HNNXBMFYSA-N 327.750 4.118 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(C)n2)cc1 2622935 YPKPBWWSNROXKL-AWEZNQCLSA-N 329.469 4.084 0 40 EIAB COc1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)cc1 3316198 QEELNNARVGCVHO-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 4033289 IAUVGDKPUHBXQI-MRXNPFEDSA-N 333.435 4.194 0 40 EIAB CCCC[C@H](C(=O)Nc1ccc2c(c1)CCCCO2)N(CC)CC 4311085 BHYBAAIXRVBIQG-GOSISDBHSA-N 332.488 4.241 0 40 EIAB COc1ccc(NC(=O)c2ccc(COc3ccccc3C)o2)cc1 5032971 VOOJDDAAFPASJR-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB COc1ccc(Nc2nc(-c3cccs3)c(CC(=O)O)s2)cc1 5586588 URHXVDVLDVYFQZ-UHFFFAOYSA-N 346.433 4.251 0 40 EIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(OC)c2)n1 5960727 OLZPAMSKMDOAAY-UHFFFAOYSA-N 332.359 4.178 0 40 EIAB biogenic O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6063928 FSVHGJIXZQCIBV-UHFFFAOYSA-N 332.827 4.282 0 40 EIAB Cc1cc2nccc(-c3ccccc3OCc3ccc(F)cc3)n2n1 6189428 DCQHONXILQMVAP-UHFFFAOYSA-N 333.366 4.423 0 40 EIAB C[C@@H](NC(=S)NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 6824284 KKWVPEDVGLWNGA-XZHRJIJLSA-N 344.867 4.105 0 40 EIAB Cc1cc(C(=O)NCCCOC2CCCCC2)c2ccccc2n1 6988969 ILUJNBSQBUPUJS-UHFFFAOYSA-N 326.440 4.012 0 40 EIAB O=c1oc2cc(Cl)ccc2n1CN(Cc1ccc(F)cc1)C1CC1 8151516 MOMQOSJTEQUEAN-UHFFFAOYSA-N 346.789 4.009 0 40 EIAB Cc1cccc(C)c1OCC(=O)N1CCC(Cc2ccccc2)CC1 8320991 MBQLWEVSFLMNJZ-UHFFFAOYSA-N 337.463 4.164 0 40 EIAB COc1ccc(Cl)c2c(O)c(CN3CCC(C)CC3)c(C)nc12 8717393 AOJZLCNYJWGXPX-UHFFFAOYSA-N 334.847 4.143 0 40 EIAB Cc1cc(CSc2nnc(-c3ccccc3F)n2C2CC2)on1 9863299 QREMFJRJLDZXNC-UHFFFAOYSA-N 330.388 4.008 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 10446233 HUJYNMHFAZAAIW-IZZDOVSWSA-N 343.810 4.477 0 40 EIAB O=C(CNc1cc(F)ccc1F)Nc1ccc(C(F)(F)F)cc1 11621899 XHTBMVQKIYLAEE-UHFFFAOYSA-N 330.256 4.034 0 40 EIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccc(C)cc1 11832368 IBHPUUJLIOWOOE-BQYQJAHWSA-N 332.783 4.334 0 40 EIAB COc1ccc(C(=O)O)cc1OCc1c(Cl)cccc1Cl 11860691 YTULJMNAVAYFCB-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB C[C@@H](C(=O)N1CCC(c2onc3c2CCCC3)CC1)c1ccccc1 12119796 ROJMMWBGCNBPKA-OAHLLOKOSA-N 338.451 4.063 0 40 EIAB Cc1nn(-c2ccccc2F)c2nc(C3CC3)c(Cl)c(C(=O)O)c12 12396215 JURYZRUAGLIEKH-UHFFFAOYSA-N 345.761 4.097 0 40 EIAB Cc1cc(SCC(=O)N2CCc3ccccc3C2)nc2ccccc12 12418203 KFNRFRSQDNRWQA-UHFFFAOYSA-N 348.471 4.220 0 40 EIAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)C3CCCC3)cc12 12638318 CBPDFUYGXFHIAF-UHFFFAOYSA-N 341.407 4.167 0 40 EIAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F 12734415 KIAVRRGAFMLSEB-LBPRGKRZSA-N 326.396 4.440 0 40 EIAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 12769344 PBDXKBADJGKUQN-INIZCTEOSA-N 340.442 4.303 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3F)s2)cs1 12993638 VUEIXJCKOXUIBW-UHFFFAOYSA-N 346.452 4.292 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)Nc1cc(C)c(Cl)cc1OC 13068967 PYEJVDGZWZEIEX-GFCCVEGCSA-N 348.830 4.105 0 40 EIAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709459 JQQFYLLPMMJYNW-AWEZNQCLSA-N 348.402 4.204 0 40 EIAB Cc1cnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)s1 13724999 XVZRHTUPUZDVMK-UHFFFAOYSA-N 349.868 4.410 0 40 EIAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(Cl)c1 14136821 MCNLDZHMRJYNGB-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB COc1c(Br)ccc2c(OC)c(Br)ccc12 14628768 PHIFUPVGQBTQRO-UHFFFAOYSA-N 346.018 4.382 0 40 EIAB O=C(Cc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 14790003 JZRYUDHQUHZIBT-UHFFFAOYSA-N 327.733 4.218 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)CCC2 14848135 CSFHZNBUNHAXOO-UHFFFAOYSA-N 332.403 4.320 0 40 EIAB O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 15086449 NPJXBTFQMXJOAG-UHFFFAOYSA-N 342.748 4.087 0 40 EIAB CC(=O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl 15125046 PWUYUHZQLNTNBX-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 16780255 JCMZJSREDHXIFR-HNNXBMFYSA-N 345.464 4.005 0 40 EIAB Cc1cc(C)n(C2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)n1 19659011 UYDFGRBOFPKSOK-UHFFFAOYSA-N 339.483 4.051 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20040201 OMOJYPSWCGENBM-CQSZACIVSA-N 349.883 4.324 0 40 EIAB NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 20154530 LAHNIAHEXMACLY-UHFFFAOYSA-N 338.219 4.457 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)N[C@H](C)c3ccccc3)[nH]c2c1 22045983 MOAOVYSOTOYTSE-ZIAGYGMSSA-N 339.464 4.229 0 40 EIAB O=C(CSc1cccs1)NCc1csc(-c2ccccc2)n1 23192980 HOTVSSIFGRERIT-UHFFFAOYSA-N 346.502 4.280 0 40 EIAB O=C(NCCC1=CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 23791580 NFFUIDFQYIXOSN-UHFFFAOYSA-N 346.858 4.087 0 40 EIAB CN(Cc1ccc2ccccc2c1)C(=O)/C=C/c1ccc2c(c1)CCO2 26072433 KZEMTVKDVJLGII-DHZHZOJOSA-N 343.426 4.447 0 40 EIAB C[C@H](NC(=O)NCCc1cccs1)c1cccc(C(F)(F)F)c1 26523915 LEOJIAHDEONNKR-NSHDSACASA-N 342.386 4.370 0 40 EIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCCC1 27822787 QOVWWBSEMSLMJY-UHFFFAOYSA-N 345.892 4.002 0 40 EIAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc2ccccc2n1 31564237 KFRQVDRCZXJWHH-UHFFFAOYSA-N 346.415 4.335 0 40 EIAB COc1cccc(CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 32716619 OGIXHTKMSXJQIR-OAHLLOKOSA-N 349.430 4.277 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2ccccc21 32843837 TYFPVFLFTLXLEF-INIZCTEOSA-N 334.341 4.192 0 40 EIAB CCc1noc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)n1 33012818 KSORBQFPIAYGIO-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2)c1 33746520 UXXBTPRLRMLZRY-UHFFFAOYSA-N 340.419 4.346 0 40 EIAB COc1ccc2ccc(OC)c(/C=C3\C(=O)Nc4ccccc43)c2c1 34914008 FEPNPIMLOYHJJU-PDGQHHTCSA-N 331.371 4.350 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36619717 COZPZSJMMRHASC-SFHVURJKSA-N 349.883 4.428 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CCCOc2ccc(OC)cc2)cc1 36623384 ZQHKCTWUBQMHGH-INIZCTEOSA-N 341.451 4.294 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccs1 40067807 RTDQVLIIQLTBQN-CYBMUJFWSA-N 328.437 4.439 0 40 EIAB CCN(CC)Cc1cccc(NC(=O)CCOc2cccc(F)c2)c1 40086914 QSCGGWMZODBMIP-UHFFFAOYSA-N 344.430 4.075 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 40133763 FVKXVGZBPMCUDF-GFCCVEGCSA-N 343.448 4.320 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44902678 XVSGKNWHVYGFCZ-LJQANCHMSA-N 341.451 4.176 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccn2)cc1 48348478 REFCIPSAJGIGRV-QGZVFWFLSA-N 325.412 4.239 0 40 EIAB CC1=C(C)[C@@H](NCc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 57270761 JMXHWXVTZFOEGV-JTSKRJEESA-N 348.490 4.302 0 40 EIAB Cc1cc(Sc2nccn2C)ccc1NC(=O)c1cccc(F)c1 58180736 KTVPCATZQMBZFA-UHFFFAOYSA-N 341.411 4.271 0 40 EIAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc[nH]c1=S 58245362 XOUXVQIHVVFJDK-UHFFFAOYSA-N 327.434 4.484 0 40 EIAB O=C(Nc1c(F)cccc1F)c1csc(-c2ccccc2F)n1 64777623 LHSQCRJUHFTVEW-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB CCc1nc2cc(NC(=O)c3ccc(N4CCC(C)=N4)cc3)ccc2o1 65567578 NDZSCCCRSPKMER-UHFFFAOYSA-N 348.406 4.229 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1cccc(OC2CCCC2)c1C 71847629 IKUWCMCGHHKDQW-UHFFFAOYSA-N 328.412 4.102 0 40 EIAB Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)C2)n1 72298677 QWEIVFWIOPDISW-DJIMGWMZSA-N 344.455 4.100 0 40 EIAB COc1c(NC(=O)Nc2ccccc2-c2ccccc2)c(C)nn1C 75107830 KYXBEJAHAQOTRH-UHFFFAOYSA-N 336.395 4.048 0 40 EIAB CC(C)c1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(O)c1 75775892 NEJBKKABVZVIOW-UHFFFAOYSA-N 337.419 4.151 0 40 EIAB Clc1ccc2c(N(C[C@@H]3CCCO3)C3CCCC3)ncnc2c1 78903413 CXWITYULZIEOFR-HNNXBMFYSA-N 331.847 4.211 0 40 EIAB CCOCc1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1 84333897 FKWVPNUITAAGEA-UHFFFAOYSA-N 346.377 4.092 0 40 EIAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(COC3CCCCC3)c2)c1 89265780 KGDGYNCPRNUORI-UHFFFAOYSA-N 340.423 4.319 0 40 EIAB CC(C)c1nc(CNc2ccccc2OCCn2ccnc2)cs1 95428816 CKIRIRGFRLLOTF-UHFFFAOYSA-N 342.468 4.154 0 40 EIAB O=C(CSc1cccs1)N[C@@H]1CCCOc2cc(F)ccc21 95464437 QFYNBWMEZJDCMW-CYBMUJFWSA-N 337.441 4.009 0 40 EIAB C[C@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21 95465827 GPKCJUGOAHTCPA-HNNXBMFYSA-N 346.434 4.200 0 40 EIAB Fc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193793 NLXSKWLZXWLSRY-UHFFFAOYSA-N 336.351 4.405 0 40 EIAB Cc1ccc(S(=O)(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 100980803 BYHLJPUGIAHJKD-KNCVXQGMSA-N 333.497 4.022 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12 222872706 MOUXUTUVACVQFL-HXUWFJFHSA-N 337.394 4.453 0 40 EIAB O=C(CCSc1ccccc1)NCCOc1ccccc1Cl 223416828 WRGQDPXKUYDDFS-UHFFFAOYSA-N 335.856 4.017 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)N[C@@H]1CCCc2ccccc21 223888567 UJHIYSJFJOTGNB-OAQYLSRUSA-N 335.447 4.138 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1cccc(C)c1 224380612 APJMIHSURROKET-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc(C(F)(F)F)c1 238815091 BGIYQJXHJVNIPD-LBPRGKRZSA-N 349.352 4.001 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2CCc3[nH]nc(-c4ccccc4)c3C2)c1 306137327 QTBURWQGBPBJSZ-MRXNPFEDSA-N 331.419 4.129 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 408627718 PCRYJRRLPXIXQU-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB Cc1cc(C)n([C@@H](CNC(=O)Nc2cccs2)c2ccsc2)n1 575614657 ZZFRILOKIJDBLJ-AWEZNQCLSA-N 346.481 4.034 0 40 EIAB O=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1ccc(Cl)cc1 166708 BUENNWZRYVZRGJ-UHFFFAOYSA-N 344.585 4.004 0 40 EIAB CC(=O)c1cc(C)ccc1OC(=O)c1ccc(Br)cc1 262428 RCOWNIJGTRUIRZ-UHFFFAOYSA-N 333.181 4.179 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 807585 OBQMVDSAIVVMRW-OAHLLOKOSA-N 335.403 4.224 0 40 EIAB CCN(CC)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 1687498 XBFAJTKXXAAQQB-GOSISDBHSA-N 348.284 4.491 0 40 EIAB Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)n1 2202130 KWGQGNFSOVSOMV-UHFFFAOYSA-N 345.450 4.496 0 40 EIAB Cc1ccc(OCc2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 2209480 KBZKPKBOFTXBBA-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 3377932 IXJPNJOATYOJII-QGZVFWFLSA-N 339.435 4.486 0 40 EIAB Cc1ccc2cccc(OCC(=O)Nc3ccc(Cl)cc3F)c2n1 5198662 RNIQNDDDYBICGQ-UHFFFAOYSA-N 344.773 4.353 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1 5256572 YUMDYVRUAAXXSB-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Cc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 5556072 ZLAHLFIHZYAMSW-UHFFFAOYSA-N 332.432 4.416 0 40 EIAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 6039763 DPMOAWRYDVHSDI-LLVKDONJSA-N 336.501 4.127 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1OC 6478543 JDURKLZRVWPWAE-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccccc1 8131065 DEKBJJDCJPHBHT-LLVKDONJSA-N 328.368 4.239 0 40 EIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(F)cc1Cl 8320425 WMWMZPBZIDEEOJ-AWEZNQCLSA-N 338.835 4.316 0 40 EIAB CCn1/c(=N\C(=O)c2ccc(F)cc2)sc2cccc(Cl)c21 8654192 NJWWVCFCQVWRMU-KNTRCKAVSA-N 334.803 4.256 0 40 EIAB CCN(CC)c1ccc2nc(C)c(CN3CCC(C)CC3)c(O)c2c1 8717372 JKAQRGOOZVRSIU-UHFFFAOYSA-N 341.499 4.327 0 40 EIAB Cc1ccc(CSCC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 8757294 JBCYMTRWEMZXPA-UHFFFAOYSA-N 349.839 4.249 0 40 EIAB CN(Cc1ccccc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 9114391 RXNPMCWQONREOH-INIZCTEOSA-N 330.428 4.204 0 40 EIAB CCC(=O)Nc1cccc(NC(=O)COc2cccc3ccccc23)c1 9141905 UJODNYPCLYOFQZ-UHFFFAOYSA-N 348.402 4.206 0 40 EIAB Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 10139673 ADDBBFGAFYSSGS-UHFFFAOYSA-N 347.462 4.294 0 40 EIAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1Cl 10402869 CKHUXYJXRSLJBM-SNVBAGLBSA-N 349.221 4.357 0 40 EIAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1F 10899868 YOTVRLJELNGQGP-UHFFFAOYSA-N 340.442 4.397 0 40 EIAB O=C(O)[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1 11798209 PYQBGHZZGUTMSS-CYBMUJFWSA-N 341.588 4.307 0 40 EIAB COc1cccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 12062471 NPIGZZSIZBKJRV-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB C[C@@H](SCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 12972618 QCKDXRUKJMUUOO-CQSZACIVSA-N 343.448 4.281 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 15796855 IHIYZBGARMACSM-RISCZKNCSA-N 325.836 4.056 0 40 EIAB Oc1nnc(SCc2ccccc2)c(SCc2ccccc2)n1 17431024 JERSHPLZQFXFKQ-UHFFFAOYSA-N 341.461 4.162 0 40 EIAB Fc1cccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1F 19292730 HTAVIZFGEJCARW-CQSZACIVSA-N 327.378 4.221 0 40 EIAB CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cccs1 19582546 CIRAPKJYOCQOMN-UHFFFAOYSA-N 342.430 4.331 0 40 EIAB Cc1cc(Cl)c2nc(NC(=O)C(C)(C)Br)sc2c1 20133148 HRWDZYFTTYPODT-UHFFFAOYSA-N 347.665 4.370 0 40 EIAB O=C(NCc1cccnc1)c1ccc(CSCc2ccccc2)cc1 20238980 GZNJCMGTZRFFTM-UHFFFAOYSA-N 348.471 4.445 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2cccc(OC)c2)cc1 22072096 BHMYDRIZHBXYQQ-UHFFFAOYSA-N 349.390 4.095 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Sc2nncc3ccccc23)cc1F 24716071 HHXRCCMCYOTCME-LBPRGKRZSA-N 341.411 4.197 0 40 EIAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 30751521 MBPPVKPPXXJTBZ-OAHLLOKOSA-N 329.465 4.114 0 40 EIAB CC(=O)c1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 30952825 MIMVHMHMJOXXIT-LVBDODCMSA-N 325.452 4.368 0 40 EIAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 31160174 YDAVVXOXSSFVPF-BBBHLOGDSA-N 348.483 4.273 0 40 EIAB biogenic,in-vitro Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(F)cc1Cl 33040096 FDAGOXUGRCZJLJ-QWHCGFSZSA-N 334.822 4.465 0 40 EIAB CCCC(=O)Nc1cnc(C)n1-c1nc(-c2ccccc2)cs1 35682936 KPABGBMPBNYIMH-UHFFFAOYSA-N 326.425 4.043 0 40 EIAB Cc1cc(NC(=O)c2cccc3[nH]ccc23)ccc1Br 37116385 FDFJWXDHNFVNKQ-UHFFFAOYSA-N 329.197 4.491 0 40 EIAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1-c1nccs1 40090990 BEOACCXADXMMEI-UHFFFAOYSA-N 333.363 4.081 0 40 EIAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccsc2)n1 40111329 KCBHQAVIPZMYFO-UHFFFAOYSA-N 334.397 4.272 0 40 EIAB CCOC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 45170302 GZJCWFGSWMRGPE-UHFFFAOYSA-N 330.331 4.011 0 40 EIAB COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 46032701 TXIJPVMWNSYIJY-SFHVURJKSA-N 328.387 4.341 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3ccc(-c4nnco4)cc3)cccc2c1C 58356132 UTPIYMZZTKOQAW-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB CC(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1 58774924 OJSZGDTZDCPRTB-LJQANCHMSA-N 325.427 4.413 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3CC(C)(C)C)n[nH]2)s1 61527090 VDXNITZOEJUHMH-CYBMUJFWSA-N 331.485 4.487 0 40 EIAB COC(=O)c1cc(OCc2c(F)cccc2Cl)c2ccccc2n1 65033060 IBNZXDWXKHRYHU-UHFFFAOYSA-N 345.757 4.393 0 40 EIAB Cc1c(NC(=O)c2sccc2C2CC2)cccc1N1CCCC1=O 67208348 CLKSICGYDDCJPA-UHFFFAOYSA-N 340.448 4.313 0 40 EIAB CCc1nccn1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C 67472763 YINHULANUWMHDK-UHFFFAOYSA-N 325.412 4.083 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 67818613 DONUYSQRRHFVPA-UHFFFAOYSA-N 344.842 4.050 0 40 EIAB O=C(Nc1ccccc1Sc1nncs1)[C@H]1C[C@@H]1c1ccco1 69566782 LXOZGHUUDWWWJU-QWRGUYRKSA-N 343.433 4.025 0 40 EIAB C[C@@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H](c2ccccc2)O1 70695500 LEVAYHYETPBUAI-RDTXWAMCSA-N 340.448 4.365 0 40 EIAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72214932 WRXVFDZRHWSHEO-INIZCTEOSA-N 333.476 4.388 0 40 EIAB C[S@@](=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 72298057 NELYQYKGXUBJPG-YYSDWVBWSA-N 341.476 4.373 0 40 EIAB C[C@@H](Nc1nccc2c1C(=O)OC2(C)C)c1nc(C(C)(C)C)cs1 79002600 GNIZBUMOMPYCSE-SNVBAGLBSA-N 345.468 4.414 0 40 EIAB CC(=O)N1CCC(N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 90974828 CKQMVKKGXCNQEV-OAHLLOKOSA-N 340.442 4.154 0 40 EIAB CS(=O)(=O)Cc1ccc(Cl)cc1N[C@H]1CCC[C@H](C2CC2)C1 92169863 VXCOAILFJZCUIU-BBRMVZONSA-N 341.904 4.265 0 40 EIAB CCOc1ccc2nc(NCc3c(C)nn(C)c3Cl)sc2c1 97045302 PTGRDYJZWMRAGA-UHFFFAOYSA-N 336.848 4.002 0 40 EIAB Oc1cc(C(F)(F)F)nn1-c1nc(-c2ccc(Cl)cc2)cs1 100647305 QWTQOUUEMUISAB-UHFFFAOYSA-N 345.733 4.374 0 40 EIAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccccc1-c1ccccc1 103977473 TZNNMVQSRRNHMJ-SAKMYQHLSA-N 335.403 4.039 0 40 EIAB CC(C)Oc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 223201641 OQOHGVASJCSPRB-UHFFFAOYSA-N 339.435 4.370 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2ccc(C)c(C)c2)c1 223594140 BPQHYMVYRGLERK-UHFFFAOYSA-N 325.452 4.123 0 40 EIAB CCCOCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 224420818 TXNLYNQGSQHUJM-CQSZACIVSA-N 345.414 4.252 0 40 EIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccc(C)cc1 224470040 IVXNATCVLKFPJC-UHFFFAOYSA-N 341.451 4.455 0 40 EIAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1 225093585 HYGJBHARMHZTGI-AWEZNQCLSA-N 344.716 4.434 0 40 EIAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cccc2ccccc12 225421926 ZZVTYZLLTKMCRE-UHFFFAOYSA-N 331.419 4.402 0 40 EIAB O=C(NCc1ccc(-c2ccco2)nc1)Nc1ccccc1Cl 238964312 YUPGSJZAYFIZSJ-UHFFFAOYSA-N 327.771 4.317 0 40 EIAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)n1 257202177 AKTOUNRKMIEWCS-KRWDZBQOSA-N 345.446 4.033 0 40 EIAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)n1 257229836 FZQUVAXJIUKHIY-KRWDZBQOSA-N 345.446 4.033 0 40 EIAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257270306 MTQCSDIKYQERRB-LJQANCHMSA-N 347.418 4.028 0 40 EIAB Cc1nsc(C)c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 333964187 OSZWJFDHDAFVES-OAHLLOKOSA-N 340.452 4.004 0 40 EIAB CC(C)(C)c1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 408571764 FLKTVRWMCXMDGN-UHFFFAOYSA-N 327.449 4.178 0 40 EIAB CCCc1nc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)co1 515329971 FWTUCGKKUSJJCS-JTQLQIEISA-N 333.775 4.471 0 40 EIAB Cc1nc([C@H](N[C@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 527688058 MZDJWFBRNZDUQC-OOOSANSDSA-N 331.847 4.145 0 40 EIAB Cc1ccc2nc([C@H]3CCCN3c3nc4cccc(F)c4o3)[nH]c2c1 624032406 KNUSKGDZJAWVAZ-MRXNPFEDSA-N 336.370 4.493 0 40 EIAB Cc1ccc(NC(=O)N2CCC[C@H](COc3ccnc(C)c3)C2)cc1 1776000695 GDWZOJVSJPAHPD-KRWDZBQOSA-N 339.439 4.021 0 40 EIAB Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 51664 FZBFKPLJBKXMHI-WQVCFCJDSA-N 336.501 4.190 0 40 EIAB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccc(F)cc1 383671 IRBYGZKERROZLY-UHFFFAOYSA-N 336.318 4.264 0 40 EIAB CC1(C)Cc2nc3scc(NC(=O)c4ccccc4)c3cc2CO1 503444 DYDMWTPFTRETEX-UHFFFAOYSA-N 338.432 4.400 0 40 EIAB O=C(Nc1cccc2cccnc12)c1cccc(Br)c1 556439 RIWNKHIIJKRUOY-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3Cl)cc2)n1 3236331 WRIVRHSAOQHARU-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB COc1ccc(CSc2nnc(C)n2-c2ccccc2)cc1F 3449965 BZWWWXFDZGCWMQ-UHFFFAOYSA-N 329.400 4.016 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)no2)cc1 4060162 DEPJJVFCCCOBAS-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](N)(=O)c1ccc(N(C)C)cc1 4063960 OOJHUUWPPUDIFV-VOSFYANLSA-N 338.432 4.007 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1 4119854 MCEPUXKQMFXFBI-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB CSc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 4517675 QTNNZSSBNRZSCY-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB CCOc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 5442752 ZTKLLTLFSKASCX-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB Cc1cc(C)cc(C(=O)NCCc2csc(-c3cccs3)n2)c1 5452144 VKDHQNULZIYZAZ-UHFFFAOYSA-N 342.489 4.461 0 40 EIAB CC[C@H]1CCCN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 5719153 DAEXSSOBURHTQY-HKPPCEJWSA-N 349.559 4.092 0 40 EIAB COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1Cl 6303305 SYEHEHZOBUAPQA-UHFFFAOYSA-N 333.815 4.373 0 40 EIAB O=c1c(-c2ccccc2)coc2cc(OCCN3CCCCC3)ccc12 6719803 RSGALRQARGWNAU-UHFFFAOYSA-N 349.430 4.325 0 40 EIAB biogenic COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 7007831 RCRSAWAGBHILBB-ZDUSSCGKSA-N 331.437 4.132 0 40 EIAB CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1C 7214434 JGIMNEXHJMJNDC-UHFFFAOYSA-N 329.421 4.146 0 40 EIAB COc1cc(NC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1 8060889 JZUDSFHDUHGWHA-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 8184033 LQLCPKOLMCXJDW-OAHLLOKOSA-N 328.481 4.176 0 40 EIAB COCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8469187 LMDFAEISQDALGC-UHFFFAOYSA-N 340.250 4.308 0 40 EIAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccco3)ccc1O2 9134990 VWAVMYFSCNRVQH-UHFFFAOYSA-N 334.331 4.198 0 40 EIAB C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ccccc1Cl 9501110 PSVQSVJXHPRTCU-LLVKDONJSA-N 330.844 4.384 0 40 EIAB CCc1nc(NC(=O)c2ccnc3ccc(Cl)cc23)sc1C 12198565 PIEOYFWKIGQURD-UHFFFAOYSA-N 331.828 4.468 0 40 EIAB O=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)C1CCC1 12233034 AWUJJKZXJJYSEF-UHFFFAOYSA-N 325.393 4.204 0 40 EIAB C[C@@H]1[C@@H](c2cccc3ccccc23)c2cc3c(cc2O[C@]1(C)O)OCO3 12857449 OKEDHTSICXDDKB-ZKCQSVRFSA-N 348.398 4.437 0 40 EIAB Cc1cccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12914858 HZPRRUVLFCORFJ-LJQANCHMSA-N 329.827 4.295 0 40 EIAB O=C1S[C@@H](Cc2ccc3ccccc3c2)C(=O)N1Cc1ccoc1 13479515 GFTVGOFJGMHHKR-KRWDZBQOSA-N 337.400 4.240 0 40 EIAB Cc1ccc(NC(=S)NC2CCCCC2)c(Br)c1 13789957 ZBTGOTOSOQTGPQ-UHFFFAOYSA-N 327.291 4.377 0 40 EIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccccc1F 15019151 RBNXBDAVYOHOBA-OQLLNIDSSA-N 331.343 4.201 0 40 EIAB COc1ccc(-c2noc(CN(C)[C@H]3CCCc4ccccc43)n2)cc1 15291820 JLOJDWVOPZPJKU-IBGZPJMESA-N 349.434 4.255 0 40 EIAB Cc1cccc2c(=Nc3cccc(C(F)(F)F)c3)c(C(=O)O)c[nH]c12 19795519 FMSSDOXVDIITJJ-UHFFFAOYSA-N 346.308 4.426 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C)ccc1OC 20110153 JOWYIRFEYKXJOH-QGZVFWFLSA-N 327.424 4.417 0 40 EIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccccc1 20145040 CBKHJQZZNDZEAL-KPKJPENVSA-N 349.386 4.099 0 40 EIAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccc2c(c1)CCCC2 21398341 OFYVRHIOAHKWNW-XOBRGWDASA-N 337.488 4.460 0 40 EIAB O=C(O)c1cc2ccccc2n1Cc1cccc(Br)c1 21505282 BLTQCWKYMOSAOJ-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccc(F)cc3)c2C)cc1 24772809 IBOIECPBOMRUNG-CQSZACIVSA-N 337.398 4.119 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 27989139 OKMVPIGKDJFEQE-IBGZPJMESA-N 342.870 4.215 0 40 EIAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2Cc3ccccc3O2)cc1 29473467 MHLNWPHSVXCXLA-HXUWFJFHSA-N 333.387 4.125 0 40 EIAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 32549564 WPKFGPYZPRJUJG-AWEZNQCLSA-N 335.494 4.046 0 40 EIAB O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1ccco1 38678856 UYSKABSIUFORLO-UHFFFAOYSA-N 327.365 4.237 0 40 EIAB CN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCOc2ccccc21 40138990 ZDVFUOCRIQSWOQ-ZDUSSCGKSA-N 336.844 4.067 0 40 EIAB CN(C(=O)c1ccc(C2SCCS2)cc1)C(C1CC1)C1CC1 50402442 JHKYVJUIAZEVOP-UHFFFAOYSA-N 333.522 4.426 0 40 EIAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2n1C 55364592 OMPWQSPJNVBDTE-UHFFFAOYSA-N 347.462 4.051 0 40 EIAB CCc1ccc([C@@H](NCC(=O)Nc2ccc(Cl)cn2)C(C)C)cc1 57322793 UIENZIZHUFELDI-IBGZPJMESA-N 345.874 4.223 0 40 EIAB CC[C@H](C)Oc1cccc(NC(=O)N(C)Cc2csc(C)n2)c1 65417231 ZYRQOQCFDQPXKQ-LBPRGKRZSA-N 333.457 4.293 0 40 EIAB O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccsc1)C1CC1 65794551 JQGIJAROBKRLGX-UHFFFAOYSA-N 345.489 4.030 0 40 EIAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2c(C)cccc2C(C)C)n1 66081375 FYXKHOZMMYSYCS-UHFFFAOYSA-N 348.450 4.324 0 40 EIAB c1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1 71889557 HONGGOYBYXOSAW-UHFFFAOYSA-N 326.440 4.289 0 40 EIAB O=C(Nc1csc(N2CCCCC2)n1)[C@H]1C[C@@H]1c1cccc(F)c1 76094660 PDSDWDRKVRAREE-CABCVRRESA-N 345.443 4.015 0 40 EIAB Cc1cc(C)cc(OCCn2c(CN3CCCC3)nc3ccccc32)c1 76555509 DJMULYSRTKSKFK-UHFFFAOYSA-N 349.478 4.328 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Nc2ccccc2)C1 79112715 YNNOSMOXHOBFKK-KRWDZBQOSA-N 348.368 4.422 0 40 EIAB O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)c1ccccc1 84525280 KDQCOUOALISNCF-FQEVSTJZSA-N 346.386 4.006 0 40 EIAB CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)Nc1nncs1 89919252 XYYRHFUIMGEICX-AWEZNQCLSA-N 330.457 4.151 0 40 EIAB CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCSc2ccc(Cl)cc21 95423696 CLJPYLSYYQAALQ-KGLIPLIRSA-N 348.903 4.156 0 40 EIAB Cc1n[nH]c(C)c1CCC(=O)Nc1cccc2c1ccn2CC(C)C 95472096 RESXLRIIEGHZPB-UHFFFAOYSA-N 338.455 4.209 0 40 EIAB CCc1noc(C2CCC(N[C@@H]3C[C@@H](C)c4ccccc43)CC2)n1 95996913 DXZNTCNRZUVPMM-SEVFCGSRSA-N 325.456 4.496 0 40 EIAB CO[C@@](C)(CNC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 96392363 CHBMSPFSAXNTSN-CVTTXWKISA-N 329.827 4.031 0 40 EIAB c1ccc(-c2ccccc2-c2cnc(OCC3CCNCC3)nc2)cc1 96675129 WNQYADIBXRQLTO-UHFFFAOYSA-N 345.446 4.189 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(C(C)(C)C)cc1 101461870 QCVHBLZOVBSWGI-SFHVURJKSA-N 334.419 4.206 0 40 EIAB O=C(N[C@H]1CCc2ccccc2C1)c1csc(Cc2ccccc2)n1 106206271 MRCLBKOPTTUXQG-SFHVURJKSA-N 348.471 4.021 0 40 EIAB Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)o1 107752084 WRVXBSFJSCWAGD-SFTDATJTSA-N 347.499 4.166 0 40 EIAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3C)cc2)n1 170569244 VIIOCFDPJCSONZ-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB CCOc1ccc(CCC(=O)NC2CCCCCC2)cc1OCC 216255534 PBTQQOTYHXQEII-UHFFFAOYSA-N 333.472 4.256 0 40 EIAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224974121 GMRQYYRAWQKTGY-UHFFFAOYSA-N 341.885 4.277 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c(C)c1 225142055 RZVYJLFWHPGEDN-QGZVFWFLSA-N 325.452 4.208 0 40 EIAB O=C(NC[C@H](O)C1CCCCC1)c1ccc(-c2ccsc2)cc1 225618792 IJABGHFNFJVSDH-SFHVURJKSA-N 329.465 4.086 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 225781265 QDRGXKSDZYWLMK-GOSISDBHSA-N 337.463 4.229 0 40 EIAB Cc1cccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1C 226039245 PYVUGSJGMZJCCF-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB C[C@H](NC(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 248379467 MYNYMUDEGKWOLT-PWNZVWSESA-N 345.874 4.090 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)[nH]c3C)N21 260781017 SGKNYOTXVMTUPJ-XYPHTWIQSA-N 326.469 4.006 0 40 EIAB COc1cccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c1OC 409109704 JNGPOBQAUGPZPH-ATVHPVEESA-N 337.419 4.247 0 40 EIAB Cc1cnc(C2(C)CCN(C(=O)c3cc4ccccc4[nH]3)CC2)s1 1848353876 KGJITKOOBSKKFC-UHFFFAOYSA-N 339.464 4.127 0 40 EIAB CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(=O)OC(C)C 483767 SOXRPDHXPGUIEH-UHFFFAOYSA-N 335.425 4.338 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 2260669 XYQUHIJGZBMFSN-UHFFFAOYSA-N 339.622 4.427 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Oc3ncccn3)c(Cl)c2)cc1 3134752 JNTATIBQAWJCSP-UHFFFAOYSA-N 339.782 4.483 0 40 EIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccco3)cc12 3165884 WKEJOXMHRCRRQP-VQHVLOKHSA-N 340.331 4.130 0 40 EIAB Cc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1C 3219402 JMXUXBZXNKGAMG-UHFFFAOYSA-N 347.414 4.181 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 3296020 FHHHKROOJMEGED-UHFFFAOYSA-N 339.174 4.026 0 40 EIAB Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)ccc1Cl 3443826 XIJKEQBOFIZOSM-UHFFFAOYSA-N 329.705 4.083 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N 4195284 INRPBWOOOGNJSE-ZUHHCLADSA-N 327.468 4.163 0 40 EIAB Cc1nc(SCc2nnc(-c3ccccc3)o2)c2ccccc2n1 4221339 DLEFEXZLKTWVRM-UHFFFAOYSA-N 334.404 4.281 0 40 EIAB CCCCN(C)C(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 4552780 NJEOFBHUTPUXSK-UHFFFAOYSA-N 330.516 4.281 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 5001108 XCESHTWOUPBPCA-UHFFFAOYSA-N 338.338 4.296 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1cc(C)ccc1C(C)C 5510923 DOUDPMSMSCZVRL-INIZCTEOSA-N 341.451 4.383 0 40 EIAB COc1ccccc1CN(C)C(=O)C(c1ccccc1)c1ccccc1 5638164 XKKZXGRCVWFSRI-UHFFFAOYSA-N 345.442 4.486 0 40 EIAB Fc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 6584523 PRDNNQLUOHGMFU-JKSUJKDBSA-N 328.778 4.217 0 40 EIAB CCc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)cc1 6820421 JTTZIUKTHFTASB-AWEZNQCLSA-N 337.448 4.193 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nccs1 7104497 ZKSPBZRJKPMCNW-UHFFFAOYSA-N 333.416 4.404 0 40 EIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccccc3)n2)cc1 8484250 POANNCZJNVMSGA-CYBMUJFWSA-N 337.448 4.398 0 40 EIAB Cc1cc(C)c(-c2nc(NC(=O)c3cnccn3)sc2C)cc1C 8940618 FGVXMALSJUIEJS-UHFFFAOYSA-N 338.436 4.086 0 40 EIAB O=C(CSCc1cccs1)Nc1nc(-c2cccnc2)cs1 9368485 WYVQWLUWIUNISN-UHFFFAOYSA-N 347.490 4.139 0 40 EIAB O=C(Nc1ccc(Cn2cncn2)cc1)Nc1cccc2ccccc12 9876076 QQINOFFPTBSDOS-UHFFFAOYSA-N 343.390 4.124 0 40 EIAB Cc1cc(C)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c(C)c1 10404626 IATVPABXECBWOX-UHFFFAOYSA-N 345.826 4.218 0 40 EIAB CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1 10918857 POFMTRNGIFWEJZ-QGZVFWFLSA-N 330.815 4.180 0 40 EIAB CCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 11916674 LEWNUENHWDUOMU-GFCCVEGCSA-N 330.453 4.309 0 40 EIAB Cc1ccc(CSCC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 12349357 OGLNDJUHKREVRM-UHFFFAOYSA-N 349.839 4.219 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1F 12677182 XASDZBQTQPURDC-AUUYWEPGSA-N 326.415 4.202 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc2c(s1)CCCC2 12762677 WKDQKMYRUZKIDE-UHFFFAOYSA-N 341.461 4.398 0 40 EIAB c1nc(Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCCC3 13135286 UNRYBFDCRKDLQM-UHFFFAOYSA-N 339.420 4.433 0 40 EIAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(Cl)c2)n1 13495317 FJWNECOEUCFFHT-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Cl)cc2)on1 14232262 QWLZJHSEIMZQJX-UHFFFAOYSA-N 338.754 4.124 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 14258432 UMTOUCKKGJIDEA-UHFFFAOYSA-N 340.423 4.321 0 40 EIAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 16643667 CINLFPNJYSCWLI-UHFFFAOYSA-N 338.451 4.051 0 40 EIAB CC(C)Oc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)cc1 19450654 QKPGOGQPHZOTLF-HXUWFJFHSA-N 327.472 4.325 0 40 EIAB COc1c(N)cc(-c2nc3ccccc3s2)cc1Br 20134712 MBNZYAUGSWDXPZ-UHFFFAOYSA-N 335.226 4.317 0 40 EIAB c1ccc(N2CCCCC2)c(NCc2nc(-c3ccsc3)no2)c1 23004023 ANFRFWFEANLRCB-UHFFFAOYSA-N 340.452 4.401 0 40 EIAB Cc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)cc1 23038752 DTNATUKPWALYIS-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CC(=O)NCc1ccc(-c2csc(Nc3cc(C)cc(C)c3)n2)o1 23386412 MNEHUUHEKSNIQJ-UHFFFAOYSA-N 341.436 4.400 0 40 EIAB Cc1cc2cc(NC(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)ccc2[nH]1 25129483 YJZQDEQZESLUFT-XIKOKIGWSA-N 347.418 4.323 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCOCc2ccccc2)o1 25840518 BYEDQWSWWKKPTJ-ASHWEPGTSA-N 339.435 4.139 0 40 EIAB COc1c(N)cc(-c2nc3cc(C)c(C)cc3o2)cc1Br 26509150 XTRAPOVQKCTLSS-UHFFFAOYSA-N 347.212 4.465 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCC2 27975827 SOVBIQFJXYQXIG-LJQANCHMSA-N 339.435 4.370 0 40 EIAB CCc1cc2c(N3CCN(C4CCCCC4)CC3)nc(C)nc2s1 28162390 DRPWTFCBZWALIC-UHFFFAOYSA-N 344.528 4.017 0 40 EIAB O=C(CCCC1CCCCC1)NCc1ccc(Cn2ccnc2)cc1 28695930 JCASEQQMANOXKH-UHFFFAOYSA-N 339.483 4.298 0 40 EIAB c1ccc(CN[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 31923729 ACMFQJCYOBJMBZ-FQEVSTJZSA-N 331.415 4.489 0 40 EIAB C[C@H]1CN(C(=O)/C=C/c2sc3ccccc3c2Cl)C[C@H](C)O1 32740533 ZZRNHZDSOUCLHD-BRQSLIGTSA-N 335.856 4.204 0 40 EIAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc[nH]2)c(C)c1C 32911888 GVFQGMQYSOCWLB-SFHVURJKSA-N 346.496 4.083 0 40 EIAB CC(C)c1nccn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 35170675 AYUJMNUGFBMKSR-IBGZPJMESA-N 336.435 4.113 0 40 EIAB Cc1nc2ccccc2nc1COC(=O)c1ccc2[nH]c(C)c(C)c2c1 39569077 QDTVCUGEEXJWSO-UHFFFAOYSA-N 345.402 4.393 0 40 EIAB O=C(NCC(F)(F)F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 40062207 VVUIEJHCCXJBGX-WDEREUQCSA-N 340.370 4.025 0 40 EIAB CC(C)C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(C)C 44849156 QHRKFXMHZGBQIN-UHFFFAOYSA-N 347.480 4.438 0 40 EIAB CN(Cc1cc(Br)cs1)C(=O)c1cc(F)cc(F)c1 48069349 FENVJEGZIFLTEV-UHFFFAOYSA-N 346.196 4.061 0 40 EIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1ccccc1 48681419 MJWDEFZJINRLDZ-UHFFFAOYSA-N 325.843 4.432 0 40 EIAB O=S(=O)(Cc1ccccc1)Cc1ncc(-c2cccc(Cl)c2)o1 50140061 PZWRPZFAEMMPAV-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB Clc1ccc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)co2)cc1 51996398 GBEAHYYCQGHAKE-IRXDYDNUSA-N 332.831 4.138 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(Cl)cc1)C3 55402549 ASWFTNOPBUOHSG-UHFFFAOYSA-N 341.794 4.107 0 40 EIAB biogenic CCOC(=O)Nc1cccc(NC(=O)N(CC)[C@@H](C)C(C)C)c1C 65415913 BAGRQJIHNXNLML-AWEZNQCLSA-N 335.448 4.462 0 40 EIAB COc1ccc(-c2csc(CNC(=O)Nc3ccccc3)n2)cc1 72264901 JIEWLLZDKIXSHI-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc2cnccc12 72934788 DQYPLKDLSMJXNW-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB Nc1cc(Br)c(O)c(-c2nc3ccc(F)cc3s2)c1 73634595 DZXQMWSJQBPPOJ-UHFFFAOYSA-N 339.189 4.153 0 40 EIAB COc1ccc(-c2nnc(CN3CCC[C@H]3c3ccccc3)o2)cc1 83952371 GLEQIANVIWZKDF-SFHVURJKSA-N 335.407 4.082 0 40 EIAB CC(C)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccsc1 96080460 IVQBQWSLBXSLEM-UHFFFAOYSA-N 342.464 4.295 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1c(Cl)cccc1Cl 100189269 KBCZZGONNCEEMZ-PIGZYNQJSA-N 334.250 4.354 0 40 EIAB C[C@H]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1 101417735 WJXVFKYBSHGCGK-HPFXQQBRSA-N 332.488 4.199 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CC4(CC[C@]3(C)[C@H]1C(=O)C2)OCCO4 118940830 ZQDFDIIVEXMNKF-MXFTUIMMSA-N 332.484 4.341 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 195530074 INWYLJANKLYLOW-XOYOTBSWSA-N 349.434 4.002 0 40 EIAB CC(C)(C)[C@@H]1COC(c2cccc(C3=N[C@H](C(C)(C)C)CO3)c2)=N1 196918823 KFPRVQMSDHGRIS-HOTGVXAUSA-N 328.456 4.070 0 40 EIAB Cc1cc(C)c(S(=O)(=O)NCc2cccc3ccccc23)c(C)c1 222974086 CSIOCZVWBZDALJ-UHFFFAOYSA-N 339.460 4.244 0 40 EIAB CCCSc1nnc(NC(=O)CCc2ccccc2Cl)s1 223882336 MAUHJUQPUATXJD-UHFFFAOYSA-N 341.889 4.265 0 40 EIAB O=C(NCc1ccccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 224054651 WJXZCVAVAYKQNF-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB COc1ccc(C(=O)N2CCCC2)cc1COc1cc(C)cc(C)c1 224196670 DSXPCMVFRXXFCJ-UHFFFAOYSA-N 339.435 4.127 0 40 EIAB Cc1ccc(C)c(C(=O)NCCCc2cccc(OC(C)C)c2)c1 224231243 XMLIVVIHDAHUDQ-UHFFFAOYSA-N 325.452 4.453 0 40 EIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225005182 MCEACIFOVCGDLM-CVEARBPZSA-N 343.521 4.367 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225117848 AODBDYOPTXHULC-QGZVFWFLSA-N 334.799 4.040 0 40 EIAB CCOc1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 225636414 CHVZEIITLIYUJQ-HNNXBMFYSA-N 344.480 4.148 0 40 EIAB Cc1cc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 225643410 QNLOZYKUKWVUGX-UHFFFAOYSA-N 342.870 4.228 0 40 EIAB Cc1cc(C)nc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cc2)n1 225913736 VVXCKOPSIPORIZ-UHFFFAOYSA-N 346.434 4.109 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257272585 NCYZMEZNIOXWPS-INIZCTEOSA-N 349.434 4.016 0 40 EIAB COc1cc(SC)ccc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 278415023 ZROGDUDMWIKVNP-CZUORRHYSA-N 337.485 4.197 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(O)ccc2Cl)n1 331990111 USJDSLGPVFXTFO-AWEZNQCLSA-N 336.844 4.178 0 40 EIAB COc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Cl 409024382 RLJSDZRNEIRRHU-IZZDOVSWSA-N 346.235 4.447 0 40 EIAB Cc1cc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)nc(-c2cccnc2)n1 521402723 ITFPPSQMUPHITM-LLVKDONJSA-N 349.365 4.468 0 40 EIAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(CC(C)C)n1 585265308 IWAFAELXTIKOJF-UHFFFAOYSA-N 343.423 4.443 0 40 EIAB C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 622468931 VMFIONHHBSTCGR-AWEZNQCLSA-N 339.483 4.196 0 40 EIAB Cc1csc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655268899 SFVKQYMEJCZISO-UHFFFAOYSA-N 337.448 4.020 0 40 EIAB CCOc1ccc2nc(SCC(=O)c3ccc(O)cc3)sc2c1 54386 MQNVAHNMRKJOGL-UHFFFAOYSA-N 345.445 4.376 0 40 EIAB COC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12 63436 XIMWCBONNCSEFD-UHFFFAOYSA-N 338.388 4.011 0 40 EIAB CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 65962 HAHPOTFSPOCDKU-FRKPEAEDSA-N 349.217 4.109 0 40 EIAB COc1cc(C(=O)Oc2ccccc2C(C)C)cc(OC)c1OC 79185 YVRMSVNKQCWVBJ-UHFFFAOYSA-N 330.380 4.055 0 40 EIAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(C)cc2)S3)cc1 93528 XALJGBDCCKNBDJ-INIZCTEOSA-N 335.432 4.439 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 478671 XNIKERCOGUHJHG-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CCCCc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 1916389 XZQYIEDYSRMOPT-UHFFFAOYSA-N 347.484 4.196 0 40 EIAB CCCSc1nnc2c3c4c(sc3nc(SC)n12)CCC4 2299390 GYZHZEAOUFNXHY-UHFFFAOYSA-N 336.511 4.052 0 40 EIAB CCc1ccccc1OCC(=O)Nc1nnc(C(CC)CC)s1 2646110 NMPCKQVQGYXJRN-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccccc2F)cc1OCC 3334431 YXHNUEMXDCSUMB-AWEZNQCLSA-N 345.414 4.043 0 40 EIAB CC(C)(C)c1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3376530 JQBSLIQVRPPAKB-UHFFFAOYSA-N 328.456 4.129 0 40 EIAB O=C(CSc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1 4496718 UTFVRENLKRUZCE-UHFFFAOYSA-N 336.388 4.305 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1)c1ccc(F)cc1 4887795 MUQWRCUHTOKYPG-CTXDPNEZSA-N 344.474 4.274 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O 5440733 SNTUCFMKJRTHBX-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB COc1ccccc1CNC(=O)c1sc(-c2ccsc2)nc1C 7461868 NLMINCQSBBPNIU-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCSc2ccccc21 7777938 LXWDNLBDRWBZCY-SFHVURJKSA-N 336.460 4.454 0 40 EIAB CCCCCC(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C 9141418 DKENHYLPROZERS-UHFFFAOYSA-N 340.402 4.387 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)Nc1nc2ccccc2s1 9711641 IDIAADRSMYAXGG-LLVKDONJSA-N 327.409 4.188 0 40 EIAB Cc1c(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)oc2ccccc12 10643854 ZOIAPABSDMHUEW-KRWDZBQOSA-N 345.402 4.178 0 40 EIAB CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12583095 TVVVCAXCXVBMER-IBGZPJMESA-N 349.434 4.327 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1F 12796247 BPKTXZXSGIEHBH-GFCCVEGCSA-N 347.459 4.075 0 40 EIAB Cc1nc2sc3c(c2c(-c2cccc(F)c2)c1C(N)=O)CCCC3 12816861 PMFMDLVHPVSUMO-UHFFFAOYSA-N 340.423 4.389 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1F)[C@@H](c1ccccc1)N1CCCC1 12824466 FPJKCVGZWSFNOM-BEFAXECRSA-N 341.430 4.173 0 40 EIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCCCC4)[C@H]3C=C12 12881134 UCPHWVCWCWZMDK-JFQNMGATSA-N 331.500 4.177 0 40 EIAB biogenic CC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 12982539 HIACLDBXHQFSQP-OAHLLOKOSA-N 347.414 4.299 0 40 EIAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C 14167856 YZKPWNMQXQWYAJ-UHFFFAOYSA-N 341.432 4.292 0 40 EIAB CC(C)c1ccccc1NC(=O)C[C@@H](C)NCCc1ccc(F)cc1 14232325 PVCHQBZIZOZVJQ-MRXNPFEDSA-N 342.458 4.499 0 40 EIAB Fc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 16956628 OHDCIDXNGRALRA-UHFFFAOYSA-N 327.810 4.230 0 40 EIAB Cc1ccc(CNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17041620 ZYATVIQDRLFPND-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(F)cc(F)c3)o2)c1 19297258 FYJGYDPJIOHBRS-LLVKDONJSA-N 344.317 4.241 0 40 EIAB COc1ccc(CC(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 19625163 DAJQTIUSQHJKEP-UHFFFAOYSA-N 333.815 4.155 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2)o1 21410174 VILCLAIQKDEZRV-MRXNPFEDSA-N 334.419 4.460 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577849 WAQHTCYLRCOHKC-UHFFFAOYSA-N 342.414 4.467 0 40 EIAB COc1cc(OC)c(CN[C@H](C)c2ccccc2Cl)c(OC)c1 22781169 DDWDDLGMHNETGW-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2nnc(CC)s2)cc1Cl 27663482 RAQVWTOBBGHNNF-UHFFFAOYSA-N 346.239 4.058 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1C 27975043 FQEJYVGTVAPYDP-LLVKDONJSA-N 339.222 4.411 0 40 EIAB COc1ccc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc1OC 30952908 DFWWJHNJUKOQHI-GOSISDBHSA-N 341.798 4.193 0 40 EIAB COc1cc2c(cc1/C=C1/C(=O)Nc3ccc(Cl)cc31)O[C@@H](C)C2 32674131 GCYMNEAJYZPUOB-JFEKIERCSA-N 341.794 4.165 0 40 EIAB COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](c2ccccc2)C1 38567372 PQAAQCWWKJYKFA-CQSZACIVSA-N 330.815 4.370 0 40 EIAB CSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 39989038 HPPLTGCVNICVNF-HWKANZROSA-N 346.264 4.219 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(O)c2sccc2n1 40497562 BHHWWOGUSABKBL-SNVBAGLBSA-N 333.844 4.243 0 40 EIAB C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 44103265 HSGJVTCVFTZKGF-LBPRGKRZSA-N 341.386 4.057 0 40 EIAB Cc1n[nH]c2c1[C@H](c1ccc(OC3CCCC3)cc1)SCC(O)=N2 44903664 AXQICOJYDJHKDB-KRWDZBQOSA-N 343.452 4.464 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(-n2cccc2)cc1 47927647 XESOSNKTPBTYNN-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F 60338156 JPPOOSMAOZGYAP-CQSZACIVSA-N 331.406 4.237 0 40 EIAB COc1ccc2cc(CNCCn3c(C)nc4ccccc43)ccc2c1 61556740 VIGNQNXOYIQLOD-UHFFFAOYSA-N 345.446 4.296 0 40 EIAB CCN(CC)CCC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 72271713 SMDBJPNGWSPXPM-LBPRGKRZSA-N 331.287 4.234 0 40 EIAB Cc1nc(-c2cccc(C(=O)N[C@@H](C)c3nccs3)c2)cs1 80083508 NJPOAISQMYXQJK-JTQLQIEISA-N 329.450 4.066 0 40 EIAB COc1nc(C(=O)Nc2ccc3nc(C)sc3c2)cc2ccccc12 84290397 BHJRIUGHKRJLAZ-UHFFFAOYSA-N 349.415 4.414 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)[C@@H]1C[C@@H]1c1cccnc1 84506022 ALABYRPXPYNAEK-QZTJIDSGSA-N 335.451 4.204 0 40 EIAB COc1ccc(F)cc1C[S@](=O)[C@@H](C)c1ncc(C(C)(C)C)o1 85224243 XGYKIVKLRMDUPD-BSNNYGBQSA-N 339.432 4.130 0 40 EIAB CCN(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc2ccccc12 89969504 CNAUWORXSQEMSG-UHFFFAOYSA-N 342.398 4.348 0 40 EIAB O=C(NC1(c2nccs2)CCCC1)c1ccccc1C(F)(F)F 96407340 DPIUSKGQEDSISI-UHFFFAOYSA-N 340.370 4.361 0 40 EIAB C[C@H](N[C@H](C)c1cccs1)c1cc(F)ccc1N1CCC(O)CC1 96477589 XKJGTGKOJDMYJT-UONOGXRCSA-N 348.487 4.260 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102485976 PHMRMSTXSJCVFT-VKFLQFAXSA-N 327.468 4.254 0 40 EIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)cc2C)cc1 225263643 NOZUBEFWVZQGSR-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB COc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1Cl 225721638 AAYSQBRJTIBDMA-UHFFFAOYSA-N 345.826 4.245 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 331815412 OLKMCJIHRDQONS-YWPYICTPSA-N 335.398 4.202 0 40 EIAB Cc1cc(Cl)cc(CNC2(c3nc(C)cs3)CCOCC2)c1 1615631144 MQIPMVSQDCXRHL-UHFFFAOYSA-N 336.888 4.209 0 40 EIAB O[C@@H](CNc1nc2ccccc2o1)c1cc(-c2ccco2)cs1 1775971145 WMPKXRBWRSORDA-ZDUSSCGKSA-N 326.377 4.295 0 40 EIAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4)cc3n2)cc1 298359 SWUVXCFZAHQFCW-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CC(C)Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 370667 DKQOUYXYBNVCBU-LICLKQGHSA-N 341.794 4.472 0 40 EIAB Cc1nnc2sc([C@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 385332 VHOHYPMNCSWMEU-LLVKDONJSA-N 338.411 4.452 0 40 EIAB COc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c(OC)c1 387718 SNPUWZXBDCRETD-UHFFFAOYSA-N 329.327 4.150 0 40 EIAB O=C(Nc1ccc(Br)cc1F)[C@@H]1C[C@@H]1c1ccccc1 475552 HCRNEJDDKQWLHQ-CHWSQXEVSA-N 334.188 4.330 0 40 EIAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 514272 TWCGFXQOUOALIY-UHFFFAOYSA-N 333.453 4.102 0 40 EIAB Fc1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1 582481 IFNFRTCGDNEMLH-UHFFFAOYSA-N 328.334 4.416 0 40 EIAB COc1ccc(-c2nc3ncccc3n2OCc2ccc(C)cc2)cc1 1400214 AIRPPIKVYYOGFN-UHFFFAOYSA-N 345.402 4.044 0 40 EIAB O=C1OC(c2ccccc2)(c2ccccc2)[C@H]2C[C@@]12c1ccccc1 1563163 DHCYKQGURXPMHH-UNMCSNQZSA-N 326.395 4.445 0 40 EIAB CCCCSc1nc(N)c2c3c(sc2n1)CO[C@@H](CCC)C3 2223566 GOGPPZBLGHSABH-JTQLQIEISA-N 337.514 4.407 0 40 EIAB Cc1ccc(SCCC(=O)NCCc2c[nH]c3ccccc23)cc1 2549639 NDTKHXXGDLIGPL-UHFFFAOYSA-N 338.476 4.317 0 40 EIAB Cc1ccccc1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F 3024836 JIDKBNITLJZLJN-UHFFFAOYSA-N 342.283 4.000 0 40 EIAB O=C(O[C@H]1CCCCC1=O)c1cc(-c2ccco2)nc2ccccc12 3303599 AZCFOEVCTWGDII-IBGZPJMESA-N 335.359 4.163 0 40 EIAB COc1ccc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 3350543 XVTHSJQFUXJVEC-UHFFFAOYSA-N 338.432 4.368 0 40 EIAB Cc1ccc(N2C(=O)S[C@@H](Nc3cc(C)ccc3C)C2=O)cc1 4151297 RSWIVPJRAKQCCF-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCSc2ccccc21 5425660 BSRUNAWPPORSGJ-OAHLLOKOSA-N 335.831 4.375 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCSc1ccc(C)cc1 8478800 MVTIRIMMQSDWPO-SFHVURJKSA-N 329.465 4.061 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 8498984 JUJMUBCVZSZPSG-NEFAXPCMSA-N 327.468 4.156 0 40 EIAB CCc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9988317 TZTLJTQCEULHIG-OUKQBFOZSA-N 347.458 4.384 0 40 EIAB COc1ccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 12480851 QXCPJKHBKYNYTN-UHFFFAOYSA-N 343.854 4.444 0 40 EIAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F 12676959 DPYLJPSTHMKXIE-KPZWWZAWSA-N 330.378 4.033 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(C(C)(C)C)cc1 13670426 UUPFPEZDQJDPGJ-HNNXBMFYSA-N 331.481 4.165 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSc1ccccc1 13709682 VZBFVWQRWILHDY-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccccc3)c2n1 18067347 DZDMZEUZRUVVJW-GASCZTMLSA-N 334.467 4.495 0 40 EIAB Fc1ccc([C@@H]2CN(C[C@H]3CC=CCC3)C[C@H]2c2cc[nH]n2)cc1 19336151 XVONKGMTBGMJLZ-ZYSHUDEJSA-N 325.431 4.088 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccccc1Oc1ccc(F)cc1 19580539 YLIOGYMKILAPLZ-UHFFFAOYSA-N 340.354 4.404 0 40 EIAB O=S(=O)(NC1CCCCC1)c1ccc(Oc2ccccc2)cc1 20486674 DVBRIJJEPGUJOM-UHFFFAOYSA-N 331.437 4.090 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 20894787 FJDGXFLTJGPGBJ-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB C[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccccc1 22531064 JWXQADRPFBUSRO-MSOLQXFVSA-N 336.479 4.410 0 40 EIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1C[C@H]1C 24503825 UBQOCBMGIIMPMR-VCBZYWHSSA-N 336.435 4.114 0 40 EIAB O=C(NCCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 25989006 JDXYWEXCRHEICG-UHFFFAOYSA-N 340.442 4.033 0 40 EIAB C[C@H](C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1)n1cccn1 28504818 SWLWUTPAISRCOT-FOIQADDNSA-N 345.402 4.096 0 40 EIAB c1ccc(C(NCc2nc(-c3ccco3)no2)c2ccccc2)cc1 29975028 CEPMUTKNVIKBPO-UHFFFAOYSA-N 331.375 4.209 0 40 EIAB CCC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623353 JAZHWWNFBPOEPG-UHFFFAOYSA-N 327.771 4.406 0 40 EIAB CC(C)Oc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 36561814 JGDOIRIIXPDVFT-KPKJPENVSA-N 329.827 4.457 0 40 EIAB CCCCn1nc(C)c2c(C(=O)Nc3ccccn3)cc(C3CC3)nc21 36616703 SWHQCLVGFCGPNK-UHFFFAOYSA-N 349.438 4.065 0 40 EIAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 36635870 MPEDKWNDLWTRPG-CQSZACIVSA-N 349.217 4.046 0 40 EIAB CCC(CC)N(Cn1nc(-c2ccccc2OC)oc1=S)C1CC1 40151387 OXFDORBDLUQIBN-UHFFFAOYSA-N 347.484 4.492 0 40 EIAB O=C(Nc1cccnc1)c1cc2sccc2n1Cc1ccccc1 40283074 CQJUFIRCRNOUKW-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB CCOc1ccc2cccc(NC(=O)c3cc(-c4ccco4)on3)c2n1 49414774 DAKBGMTZUUSGTG-UHFFFAOYSA-N 349.346 4.134 0 40 EIAB Cc1nc(NCCCOC2CCCC2)c2c3c(sc2n1)CCC3 60863772 PZHGSKQPXPTWDM-UHFFFAOYSA-N 331.485 4.250 0 40 EIAB c1cc(-c2nc(CSc3nnc(C4CCCCC4)o3)no2)co1 69527763 USPOJONUJWWDFQ-UHFFFAOYSA-N 332.385 4.053 0 40 EIAB CSc1cccc(NC(=O)Cc2cccc(Br)c2)c1 72064084 GCVUOVQSUSASRH-UHFFFAOYSA-N 336.254 4.352 0 40 EIAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1 72328924 NHISRETZUCISCH-UHFFFAOYSA-N 349.434 4.104 0 40 EIAB O=C(C1CCC1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72349334 KVVISLVRZWUPPK-IBGZPJMESA-N 334.463 4.179 0 40 EIAB Clc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 72369818 OZXOTQMGYZXBPC-INIZCTEOSA-N 339.826 4.380 0 40 EIAB O=C(NCC[C@@H](O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 85436546 QKGBZTQEQXWPGP-OAHLLOKOSA-N 339.222 4.239 0 40 EIAB FC(F)(F)c1cc(N2CCN(C3CCCC3)CC2)c2ccccc2n1 89866630 HBGCYBOCVLEEKK-UHFFFAOYSA-N 349.400 4.318 0 40 EIAB O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1cccc(F)c1)CN2Cc1ccccc1 95951709 SETGIDMDBVUFBQ-CIAFKFPVSA-N 339.454 4.345 0 40 EIAB O=C(c1ccoc1)N1CCc2cc(NC/C=C/c3ccco3)ccc21 96485920 FZGRMOGEJCDTLS-HNQUOIGGSA-N 334.375 4.201 0 40 EIAB Cc1nnc(CN[C@@H]2CCCC[C@H]2c2ccccc2C(F)(F)F)o1 97110957 IPVUBBHYIFUVFG-DZGCQCFKSA-N 339.361 4.213 0 40 EIAB CCOc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1 101028813 AKVDNAPAHBKDSU-IBGZPJMESA-N 332.407 4.041 0 40 EIAB C[C@@H]1CC2=Nc3nonc3N[C@@H](c3ccc4ncccc4c3)C2=C(O)C1 102602630 XZKYGSHMXHSJRY-QGHHPUGFSA-N 347.378 4.099 0 40 EIAB CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1 102657203 FVHCDBDORNVEES-INIZCTEOSA-N 340.452 4.308 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 219512323 DBPVOIVFXOJCSK-GOSISDBHSA-N 325.452 4.128 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSC1CCCC1 224820586 VIRQKGYSDZPYBB-HNNXBMFYSA-N 335.513 4.369 0 40 EIAB CCOc1ccccc1NC(=S)N[C@H](C)COc1ccccc1C 225634738 ZDWXSNDTMACBKH-OAHLLOKOSA-N 344.480 4.148 0 40 EIAB CCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C(F)(F)F 225816145 LNTFREFMTMJVRD-HNNXBMFYSA-N 333.350 4.248 0 40 EIAB O=C(O)/C=C/c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 226322477 MCHZSQXHJVUAFV-QPJJXVBHSA-N 336.174 4.344 0 40 EIAB CC(C)C(=O)N[C@]1(C)C[C@H](Cc2ccccc2)O[C@@H]2C[C@H](C)CC[C@H]21 257224671 FCUZUTBFJFDPRB-NEHCWNBQSA-N 343.511 4.354 0 40 EIAB O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccccc1 409370911 DHNUOINRVQGJHL-CMDGGOBGSA-N 334.169 4.276 0 40 EIAB CC(C)(C)c1nc2cc(NC(=O)c3cnc4ccccc4n3)ccc2o1 505710014 AIAQSVZWVDEQGB-UHFFFAOYSA-N 346.390 4.321 0 40 EIAB O=C(Nc1ccccc1)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@H]12 604406210 ZHHYLICSOMEKNA-AZUAARDMSA-N 341.499 4.195 0 40 EIAB biogenic CC(C)[C@H](NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1)C1CC1 667008282 RMOMQFQNEUHWOA-IBGZPJMESA-N 340.467 4.071 0 40 EIAB O=C1c2cccc3cccc(c23)C(=O)N1c1nc2ccccc2s1 47062 OWCGBWUGXYGYKW-UHFFFAOYSA-N 330.368 4.250 0 40 EIAB Cc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 119484 KXCZDTVQQABRNS-UHFFFAOYSA-N 325.375 4.272 0 40 EIAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)cc3)C2=O)c1 138000 LSYONXIXLFMKMT-UHFFFAOYSA-N 347.201 4.084 0 40 EIAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccccn1 541319 NKECKSNFNCEJGU-OAQYLSRUSA-N 326.403 4.485 0 40 EIAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C1=O 565079 RIZSTACIMQUWKD-OBMJPTGESA-N 333.431 4.177 0 40 EIAB COc1cccc(C(=O)N2c3cc(C)ccc3OC[C@@H]2C(C)(C)C)c1 1393791 DRSKAAGCWWQPRO-LJQANCHMSA-N 339.435 4.458 0 40 EIAB O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1 1396614 LQUOMFWYFCWNQK-UHFFFAOYSA-N 335.794 4.148 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2ncsc2c1 4059536 TVQRTEFWYPIBHG-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB CCC(=O)N1c2ccc(C)cc2[C@H](OC(=O)c2ccccc2)C[C@H]1C 4992863 FMYJZUSFKVVZIP-DNVCBOLYSA-N 337.419 4.428 0 40 EIAB CCC[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2s1 5780479 XDOOCYLIGGHMIS-VIFPVBQESA-N 328.890 4.347 0 40 EIAB CC(C)Oc1ccc(C(=O)OCC[C@@H]2CCCN3CCCC[C@@H]23)cc1 6493110 FMEJIPSHYUISGF-PXNSSMCTSA-N 345.483 4.285 0 40 EIAB biogenic CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)O 6959534 CHSQWUYWRSRJOE-KEBDBYFISA-N 347.798 4.261 0 40 EIAB COc1cccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 6978113 YXGKVVDMKSFLID-NELJVSICSA-N 344.414 4.009 0 40 EIAB Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C1CC1 8013696 FTCFCZVVWLMWQE-UHFFFAOYSA-N 339.464 4.302 0 40 EIAB COc1cc(C)c(C[C@H]2SC(=O)N(CC(C)C)C2=O)cc1C(C)C 8333837 KSWIFZRJAZBXNA-QGZVFWFLSA-N 349.496 4.390 0 40 EIAB CCC(CC)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 8782396 CRABMUAJQWBEAR-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1F 10280315 WGOSKKDTNBMHKV-AWEZNQCLSA-N 349.496 4.356 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCc2ccccc2C1 11763127 RFLJAGIWTHYEGT-UHFFFAOYSA-N 336.822 4.395 0 40 EIAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cccs1 12111442 NQIABMFUBNSBTD-MRXNPFEDSA-N 348.899 4.359 0 40 EIAB COc1ccc2oc(C(=O)c3[nH]c(C)c(C(C)=O)c3C)c(C)c2c1 12810994 ROXAIYQEHSXBMS-UHFFFAOYSA-N 325.364 4.128 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(C)c1 12874371 RSDAPDMHECTPFE-HXUWFJFHSA-N 334.419 4.206 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Cl)cc(Cl)c1 12924201 LKRHNVQNOMQVQO-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CC(C)c1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 13000389 DZGPPBPVDSKMSH-UHFFFAOYSA-N 336.435 4.089 0 40 EIAB Cc1csc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n1 13006231 SSWFQDGKOIOBTL-UHFFFAOYSA-N 349.868 4.410 0 40 EIAB O=C(CN1CCCC1)Nc1ccc(Oc2ccccc2Cl)cc1 13009043 ROMHRQJOCBRFLU-UHFFFAOYSA-N 330.815 4.167 0 40 EIAB CCCCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 14257854 CMHRLXCJSDUDNI-HNNXBMFYSA-N 347.528 4.459 0 40 EIAB O=C(Nc1ccccc1-c1ccccc1)c1cc(=O)[nH]c2ccccc12 16045292 IPZGIFXTPGTQEI-UHFFFAOYSA-N 340.382 4.447 0 40 EIAB Cn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2ccccc21 22234139 CZVALIQHMDHZLH-UHFFFAOYSA-N 347.201 4.098 0 40 EIAB Cc1c(Cl)cccc1NCC(=O)N[C@H](C)c1ccc(F)cc1F 24215102 RCWUZTLAPHASGP-LLVKDONJSA-N 338.785 4.216 0 40 EIAB Cn1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 28233658 JUIDPGGXXDPVPH-UHFFFAOYSA-N 326.208 4.194 0 40 EIAB O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1nccs1 28249733 GSXQAMFPFOPZKU-UHFFFAOYSA-N 337.615 4.121 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 32777637 QLLGRFSREQQRPP-JCGIZDLHSA-N 334.891 4.172 0 40 EIAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3O)s2)cc1 32855806 LSXQTNICESOQGX-UHFFFAOYSA-N 340.404 4.085 0 40 EIAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 33328034 AILHCIOQJBTSCA-QPEQYQDCSA-N 349.308 4.215 0 40 EIAB O=C(c1ccccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 33545354 ZRIUVXBUBYAMPK-UHFFFAOYSA-N 328.774 4.159 0 40 EIAB O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(F)cc1 36395781 JDHIXAHGSZRVHJ-UHFFFAOYSA-N 339.366 4.066 0 40 EIAB COc1cc(NC(=O)Cc2c(F)cccc2Cl)c2ncccc2c1 38490503 CLNRROVAIGIZNN-UHFFFAOYSA-N 344.773 4.217 0 40 EIAB COc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1 40097725 CVHPHLDRQNUAAI-NSHDSACASA-N 334.803 4.240 0 40 EIAB CC(C)c1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 40297298 YMJHWZXJNRUNHA-UHFFFAOYSA-N 333.229 4.407 0 40 EIAB CCCCCOc1ccc(C)cc1S(=O)(=O)Nc1ccccc1O 41092040 BDBVEQHGPLDZAS-UHFFFAOYSA-N 349.452 4.070 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1Cl 41095128 NEGSWUUJKOPRRH-LLVKDONJSA-N 344.263 4.341 0 40 EIAB Cc1nccc(-c2cccc(NC(=S)N[C@@H](C)c3ccccc3)c2)n1 44107134 LUBPCROBSCOPKS-AWEZNQCLSA-N 348.475 4.500 0 40 EIAB NC(=O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1 46720173 AKCQNYRWFLWHBM-UHFFFAOYSA-N 347.399 4.250 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 47516549 XTBORQYKFLITEK-UHFFFAOYSA-N 349.434 4.375 0 40 EIAB CN(Cc1ccccc1NC(=O)NCc1ccoc1)C1CCCCC1 47720391 OXRTVAWYVRRYTF-UHFFFAOYSA-N 341.455 4.366 0 40 EIAB O=C(Nc1ccccc1F)NC1(c2ccc(Br)cc2)CC1 58018751 IOGWCYSTPWMWAI-UHFFFAOYSA-N 349.203 4.399 0 40 EIAB Cn1ccnc1[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 58411545 SYEOGWZKYSPBJK-INIZCTEOSA-N 340.496 4.053 0 40 EIAB CC(C)c1ccc(NC(=O)NCCCCN2CCC[C@@H](C)C2)cc1 58522018 HSJFLDDXFWRCJI-QGZVFWFLSA-N 331.504 4.444 0 40 EIAB CCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3Cl)ccc21 59288004 UVDAGSLFNUUPSZ-UHFFFAOYSA-N 342.826 4.200 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1 59294253 GEIXUMAMKRITSY-WYMLVPIESA-N 348.427 4.473 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)cccc2NC(=O)NC(C)(C)C)cc1 66088679 UJTROBPHMJNLHJ-UHFFFAOYSA-N 339.439 4.476 0 40 EIAB CC[C@H](C)n1nccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 66661690 BPYADIGHEXHBLS-NSHDSACASA-N 344.802 4.415 0 40 EIAB COc1cccc(OC)c1-c1ccc(C(=O)NC2CCCCC2)o1 67514689 QPLQWPILYQISHJ-UHFFFAOYSA-N 329.396 4.026 0 40 EIAB CC(=O)N1CCC(C(=O)Nc2ccc(SC(C)(C)C)cc2C)CC1 69507963 SNPQEDNOKKRBBO-UHFFFAOYSA-N 348.512 4.083 0 40 EIAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1OC 71284626 XRLRXGNNSNTAOG-HNNXBMFYSA-N 347.440 4.073 0 40 EIAB CC(C)(C)c1ccc(C(=O)Oc2ccc3sc(=O)oc3c2)cc1 71405112 GWBHXGWBFCHZGS-UHFFFAOYSA-N 328.389 4.371 0 40 EIAB Cc1nc(N(C)c2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224380 PNAIVUMVAQVDIE-UHFFFAOYSA-N 327.428 4.183 0 40 EIAB CCN(CC)[C@H](C(=O)Nc1cccc2cccnc12)c1ccccc1 75108845 XEBJYUPNIQNLSF-FQEVSTJZSA-N 333.435 4.256 0 40 EIAB O=C(C[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc(F)c(Cl)c1 76092393 YWBLFJPCJUJSKZ-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB CCOC1CCN(C(=O)Nc2cccc(N3CCCCCC3)c2)CC1 77723557 UQUBPZFOZVHFRK-UHFFFAOYSA-N 345.487 4.100 0 40 EIAB CN(C)c1c(Cl)cccc1NC(=O)C[C@H]1OCCc2ccccc21 78730477 VPYIEQWZWYKUIS-QGZVFWFLSA-N 344.842 4.049 0 40 EIAB CC(=O)N(c1nc(CN2CCC[C@@H]2c2ccsc2)cs1)C1CC1 79354043 UCASSXGTDWTMBP-MRXNPFEDSA-N 347.509 4.057 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 89870898 ISNYLYQRDQJWFI-UHFFFAOYSA-N 339.399 4.449 0 40 EIAB FC(F)(F)c1cccc([C@@H](NCc2cncs2)c2cccnc2)c1 90202912 LCLCLEBJZAHWIG-MRXNPFEDSA-N 349.381 4.436 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@@H]21 101392344 DAVJIYRGNCDSPN-RWQQGDIJSA-N 335.447 4.376 0 40 EIAB Cc1noc(C)c1[C@@H](C)CNC(=O)c1oc2c(C)ccc(C)c2c1C 152038280 OKQMXYYZZYBCPT-LBPRGKRZSA-N 340.423 4.496 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc(-c2ccc(F)cc2)nc1 222614304 BIRKAMAOBCZDQV-UHFFFAOYSA-N 345.736 4.328 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1C 224078696 OANJEZXNRAYNRS-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB CCOc1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)cc1 224202314 FPXXQRRDBIKSSY-UHFFFAOYSA-N 341.451 4.212 0 40 EIAB Cc1ccc([C@@H](NC(=S)Nc2cccnc2)c2ccccc2)cc1 225512771 FEVWTKGOEAZTDT-IBGZPJMESA-N 333.460 4.466 0 40 EIAB CCCCOc1ncc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225901827 PFBGPUIYDCUOQW-UHFFFAOYSA-N 348.487 4.493 0 40 EIAB Cc1ccc2sc(C(=O)N3CCC[C@H]3CN3CCCCC3)cc2c1 567089106 KYBKOSHXQLOURB-KRWDZBQOSA-N 342.508 4.300 0 40 EIAB CCCc1ccc(C(=O)NCc2cncc(-c3cccnc3)c2)cc1 823010356 KGGOJBNVDGDKGO-UHFFFAOYSA-N 331.419 4.026 0 40 EIAB Cc1cc(Br)ccc1CNC(=O)OCc1ccccc1 1857780949 LZLRGUCJDGEDAL-UHFFFAOYSA-N 334.213 4.184 0 40 EIAB COc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1OC 180496 DAGSMWBTNICDFS-UHFFFAOYSA-N 346.452 4.346 0 40 EIAB O=C(Nc1ccc(Br)cc1Br)C1CCCC1 253629 RFVBLQVYYVXQOO-UHFFFAOYSA-N 347.050 4.340 0 40 EIAB Cc1nn(-c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3cc12 383908 ZTOPJYUTNUVRAF-UHFFFAOYSA-N 331.272 4.439 0 40 EIAB O=C(Nc1ccccc1)Nc1nnc(SCc2ccccc2)s1 550161 CQLXPDBVWCALGF-UHFFFAOYSA-N 342.449 4.474 0 40 EIAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 2626931 OUPLOBCBSQIKQP-UHFFFAOYSA-N 334.219 4.372 0 40 EIAB CC1=C(C)C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C(=O)O)C1 2801650 CAXMIUKDTMCXDN-VXGBXAGGSA-N 342.222 4.379 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 3237097 ZAKLNOFSEJURKD-SFHVURJKSA-N 339.435 4.287 0 40 EIAB Cc1ccc(CSC2=NCCN2C(=O)c2cccc(Cl)c2)cc1 4120376 OCTBWQMFUUTVPO-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 4316159 LXBSYOHYTKQYNN-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1 4479492 VUZQRCBPXLDNJJ-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 5341494 JFDXYSLNYLWOLJ-UHFFFAOYSA-N 333.859 4.112 0 40 EIAB Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)o1 5753573 QQTRQHNUZMDVQA-SRCQZFHVSA-N 336.428 4.057 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 6304583 OQHMNEGOKQMOFM-MQWPULPWSA-N 332.484 4.242 0 40 EIAB CCCCc1nnc(NC(=O)c2oc3ccc(OC)cc3c2C)s1 7800132 MEHXGEQGHJMVPF-UHFFFAOYSA-N 345.424 4.196 0 40 EIAB Cc1cc(F)ccc1NCC(=O)Nc1ccc(C(F)(F)F)cc1 7978210 UVJVXKZXTPZJSV-UHFFFAOYSA-N 326.293 4.204 0 40 EIAB c1ccc(CN2CCCCC2)c(CNc2ncnc3sccc23)c1 8324820 FLXHIIJCGQJVAP-UHFFFAOYSA-N 338.480 4.289 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 9115546 FZLTUWIUQNVJIF-CYBMUJFWSA-N 325.437 4.299 0 40 EIAB COc1ccc(COc2ccc(NC(=O)c3ccco3)cc2)cc1F 10025989 ITXYXLKJVDTUQF-UHFFFAOYSA-N 341.338 4.259 0 40 EIAB O=C(CCCSc1ccccc1)Nc1nnc(-c2cccs2)o1 10217852 WCPOJYJRPQMHEG-UHFFFAOYSA-N 345.449 4.309 0 40 EIAB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)cc1 10298844 UBZJYWNASJFQHS-BOPFTXTBSA-N 332.403 4.254 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3C2)c(Cl)c1 10341295 QVSWUXGBUHIWFL-UHFFFAOYSA-N 334.872 4.015 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 11170626 BLTBHXMVDLDPTG-AWEZNQCLSA-N 347.842 4.303 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1 12938723 NNUVBPNJXMIIKO-UHFFFAOYSA-N 327.811 4.430 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccc(C)cc2)cc1 12972610 FSJOFAAUJLVNRS-OAHLLOKOSA-N 327.449 4.458 0 40 EIAB CCCCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 12976302 ATJHYDJTMMMLHW-UHFFFAOYSA-N 336.435 4.408 0 40 EIAB CCc1nnc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)s1 13149873 LVYQLFPOZVMXNI-PKNBQFBNSA-N 341.461 4.481 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 13408511 DGNCIMCPMIGWCU-MNZDUMJDSA-N 334.500 4.481 0 40 EIAB biogenic CC(=O)c1ccc(Oc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 13624935 MEVUGPFOGRHHSX-UHFFFAOYSA-N 344.374 4.095 0 40 EIAB O=S(=O)(NCCCCc1ccccc1)c1ccc2ccccc2c1 13938334 VELKBJAZHQAHBY-UHFFFAOYSA-N 339.460 4.141 0 40 EIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 14002783 GHSZLESNHQIRCE-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC(C)CC3)s2)cc1 17355677 UVAMWDXPMALIJY-UHFFFAOYSA-N 344.480 4.211 0 40 EIAB Cc1csc(SCC(=O)Nc2ccc(N3CCCC3)cc2C)n1 18975529 MOEUUMVAEZYGMC-UHFFFAOYSA-N 347.509 4.091 0 40 EIAB COc1ccc([C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)C(C)C)cc1 19310789 SDDJWEPKPFNTFD-UKRRQHHQSA-N 330.255 4.092 0 40 EIAB COc1ccccc1C1(NCc2[nH]nnc2-c2ccccc2)CCCC1 19569173 MARYVZWFAADOSY-UHFFFAOYSA-N 348.450 4.039 0 40 EIAB Cc1cccc2nc(C(=O)OCc3cccc(C(F)(F)F)c3)cn12 22616297 CPBLPXKMEGBJBN-UHFFFAOYSA-N 334.297 4.019 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cc(C)ccc1C 30864071 KITJFDCACUKGKV-SFHVURJKSA-N 341.451 4.176 0 40 EIAB Cc1cccnc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 31820987 JSVMMENQEDHVNU-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB CCn1c(NC(=O)c2cc(C)nc3cc(F)ccc23)nc2ccccc21 32816360 USAWNSNKMRIHHF-UHFFFAOYSA-N 348.381 4.304 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CCOc2cccc(Cl)c2)cc1 32919232 PLKIWNOHGNCRQG-AWEZNQCLSA-N 347.842 4.385 0 40 EIAB C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(OC(F)F)c1 32930435 DARJLVXBGPCKCG-NSHDSACASA-N 339.769 4.361 0 40 EIAB CCCN(Cc1ccc(C)cc1)Cc1nc(O)c2sccc2n1 36403728 BJBJHMITORQSIE-UHFFFAOYSA-N 327.453 4.118 0 40 EIAB CCOCCCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 40132133 DVJHXDXDTCRHRL-NRFANRHFSA-N 337.419 4.455 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OC)c1OC 40162143 QMSKNLJHYRVTJP-UHFFFAOYSA-N 339.844 4.081 0 40 EIAB Cc1ccc(NC(=O)NCc2sccc2C)c(Br)c1 43325955 JALONLVNMFAVPX-UHFFFAOYSA-N 339.258 4.449 0 40 EIAB COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 48344197 WWVYPDHCONDYNJ-LBPRGKRZSA-N 338.363 4.102 0 40 EIAB CSc1nc2ccc(NC(=O)N(C)Cc3ccco3)cc2s1 58028820 JKRQMPOWEATLPH-UHFFFAOYSA-N 333.438 4.275 0 40 EIAB Clc1ccccc1-c1noc(Cc2nnc(-c3ccccc3)o2)n1 65185339 WKXCMRNRNSKMNO-UHFFFAOYSA-N 338.754 4.031 0 40 EIAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccco1 65563675 NIXZZUXLBSICJW-VQTJNVASSA-N 346.430 4.316 0 40 EIAB CC[C@H](C)Sc1ccc(NC(=O)NCc2ccnc(C)n2)c(C)c1 69570567 VMOLHXYCFZTGKI-ZDUSSCGKSA-N 344.484 4.306 0 40 EIAB Cc1cc(SC2CCCCC2)ccc1NC(=O)CCn1cncn1 69616113 XUDBTBNQBYSSJC-UHFFFAOYSA-N 344.484 4.040 0 40 EIAB Cc1ncc(CN(C)C(=O)CCc2ccc(C(F)(F)F)cc2)s1 71884193 HBBMLMVCUDFLAQ-UHFFFAOYSA-N 342.386 4.062 0 40 EIAB C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cc(Cl)ccc1Cl 72274694 VWVROVOYDDJQFN-MRVPVSSYSA-N 325.195 4.350 0 40 EIAB O=c1scc(-c2cccc(F)c2)n1Cc1cccc2cccnc12 75611318 DDIYTNLNMHDWFM-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB Cc1cc(C[S@](=O)[C@@H](c2ccccc2)c2ccccc2C)no1 78394595 VKSHHSSUMGCPBT-WMZHIEFXSA-N 325.433 4.330 0 40 EIAB CC(C)[C@H](C)N1Cc2cccc(NCc3nnc(C(C)(C)C)o3)c2C1 86205652 OOHAPKSBQZRQOR-AWEZNQCLSA-N 342.487 4.339 0 40 EIAB C[C@H](c1ccccn1)N(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)C1CC1 86396435 QYLCXFPIMIRXQI-SZVBFZGTSA-N 335.451 4.120 0 40 EIAB CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@@H](C)c2ccccn2)s1 86428804 IZYOPJBWISDIMJ-STQMWFEESA-N 344.484 4.097 0 40 EIAB Cc1c(C(=O)NCC2([C@@H](C)CCO)CCC2)sc2cccc(F)c12 95987099 NESWJBKMYVMBHA-LBPRGKRZSA-N 349.471 4.267 0 40 EIAB Cc1ccc(S(=O)(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 100980805 BYHLJPUGIAHJKD-FTJRRQOFSA-N 333.497 4.022 0 40 EIAB Cc1ccsc1C[C@H]1C(=O)N(C)c2ccc(Br)cc21 101014833 JAVIDZZTOYBASM-GFCCVEGCSA-N 336.254 4.122 0 40 EIAB CCCCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(OC)cc1)(C3)C2 103174966 YOXFSLSONXZYDR-UOBYYGQQSA-N 341.495 4.450 0 40 EIAB Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)c1cc2ccccc2o1 156485701 HODBUUSOWYJOIR-RYUDHWBXSA-N 341.411 4.202 0 40 EIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC2CCCCCC2)cn1 224041970 IPDXGRZBQAVNEF-HNNXBMFYSA-N 346.544 4.470 0 40 EIAB COCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC 224397392 BZCYIVCTCDOAKW-UHFFFAOYSA-N 340.206 4.401 0 40 EIAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1 225464776 XSNFOMHFVJOIJF-ZDUSSCGKSA-N 330.453 4.142 0 40 EIAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)C(C)C 225760548 AXWBVLNYTFLBHU-SFHVURJKSA-N 342.464 4.407 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2ccccc2)c1 225844479 LRGGOWSFQISRAF-KRWDZBQOSA-N 325.452 4.245 0 40 EIAB S=C(Nc1cccc(Cl)c1)NC1(c2ccncc2)CCCC1 225844665 BDFSROOPVVIJGE-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cn1 225912230 YPNJIGRECYJWNN-UHFFFAOYSA-N 334.460 4.184 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 534918455 BBQCPNIRLSETAF-INIZCTEOSA-N 339.435 4.446 0 40 EIAB COc1ccc(C(=O)NC[C@@H](c2ccco2)c2cccs2)cc1F 585147690 IJGHAPKDBDRGJF-ZDUSSCGKSA-N 345.395 4.051 0 40 EIAB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 63765 GBSVFZZRGHPKOZ-UHFFFAOYSA-N 325.437 4.417 0 40 EIAB Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 324712 CRBUHFYSCCJYCE-UHFFFAOYSA-N 347.418 4.065 0 40 EIAB CC[C@@H](C(=N)NCCc1ccc(OC)c(OC)c1)c1ccccc1 519644 LKECPCGNMHWOHY-QGZVFWFLSA-N 326.440 4.007 0 40 EIAB biogenic CCOc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 529851 YUVXZQGZEPMCQX-UHFFFAOYSA-N 328.441 4.299 0 40 EIAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 560616 UJPPQJXFNZBRED-UHFFFAOYSA-N 344.370 4.104 0 40 EIAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)c(F)c1 563028 ZBUCPSMRITWWAR-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1C)CO3 2117178 DRUGVFUPRWRWOV-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic O[C@H](CNCCC1=CCCCC1)COc1c(Cl)cccc1Cl 2653743 NXDXASPELVAKCA-CQSZACIVSA-N 344.282 4.213 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)C(c1ccccc1)c1ccccc1 3292663 WRONHWNAWJPRGD-UHFFFAOYSA-N 335.432 4.186 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)c2ccc3ncsc3c2)cc1C 3478915 VFIMYYOYVJHOAX-UHFFFAOYSA-N 339.416 4.261 0 40 EIAB Cc1cccc2c1N(Cc1ccccc1OCCC(C)C)C(=O)C2=O 4537627 RDMKTRUHFQRQEF-UHFFFAOYSA-N 337.419 4.149 0 40 EIAB C[C@H]1COC[C@H](C)N1C[C@H](OCc1ccccc1)c1ccccc1 4683118 OYYMEFQHQMRVIF-WFXMLNOXSA-N 325.452 4.054 0 40 EIAB CC(C)(C)c1ccc(CNC(=O)c2cncc(Br)c2)cc1 4690140 QESOVBVRKHHPQJ-UHFFFAOYSA-N 347.256 4.072 0 40 EIAB COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3F)coc2c1 5559530 AFMQNKWKXFJTGR-UHFFFAOYSA-N 333.746 4.415 0 40 EIAB CCn1cc(CN(C)C(=O)/C=C/c2cccc3ccccc23)c(C)n1 6490243 XDASJJFHUMMEEA-OUKQBFOZSA-N 333.435 4.036 0 40 EIAB O=C1O[C@H](c2ccccc2)N(C(=O)c2ccccc2)c2ccccc21 6927689 VKMYUJBHFSOHAO-HXUWFJFHSA-N 329.355 4.203 0 40 EIAB Cn1cccc1[C@@H]1NC(=O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 7660691 ZSTBQKWZKLTCTE-BDJLRTHQSA-N 343.496 4.092 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(Cl)c1 7775686 SHQFYJJPSDRIAR-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccncc1 9498638 DKTAWWJOQMXLHU-UHFFFAOYSA-N 337.360 4.310 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C 9993328 RVEAJVHRAIKNQN-HILYYZTDSA-N 342.483 4.169 0 40 EIAB Cc1ccc(CNC(=O)COc2ccc(Cl)c(Cl)c2)cc1F 10789003 RBNOZURSGGBNLY-UHFFFAOYSA-N 342.197 4.136 0 40 EIAB COc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11071701 VSTFAYLUYUOWOX-UHFFFAOYSA-N 332.403 4.106 0 40 EIAB Cc1cc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)on1 12422437 LLYKBOLDJVKTFN-UHFFFAOYSA-N 328.180 4.152 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ccc(Cl)cc1 12544499 AFZZCUVJSIGNNP-INIZCTEOSA-N 325.799 4.194 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 12792076 GNPKKJWREUJYIH-HNNXBMFYSA-N 325.408 4.166 0 40 EIAB Cc1cc(C)c(OCC(=O)N2CC=C(c3ccccc3)CC2)c(C)c1 12943577 VBQBIYHNCSXQRX-UHFFFAOYSA-N 335.447 4.307 0 40 EIAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccnc2)N3)C1 13217751 LXKUVRGEYJNUFE-LRDDRELGSA-N 341.480 4.148 0 40 EIAB O=C(CC1(C(=O)O)CCCCC1)Nc1cccc(C(F)(F)F)c1 13250253 WLWLYSJCWFSILF-UHFFFAOYSA-N 329.318 4.069 0 40 EIAB Fc1ccc(CNC2=NN=C(c3cc4ccccc4o3)CS2)cc1 15452995 DCAIGWNJAATPBV-UHFFFAOYSA-N 339.395 4.169 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc2cccc(OC)c2o1 19887849 MHQOBMFRTWSALJ-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 19932674 ASFMYTSPCGWLED-AWEZNQCLSA-N 347.842 4.211 0 40 EIAB CCOc1ccccc1CNC(=O)CCSCc1ccccc1 20042579 KFYIWZVYMZSBDG-UHFFFAOYSA-N 329.465 4.025 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 20451405 DWBWJXHFWVAQBH-NSHDSACASA-N 339.313 4.120 0 40 EIAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccccc1F 20494994 VDWXFCFIFVLBEU-DHDCSXOGSA-N 331.343 4.201 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCc1ccccc1 22904586 MVDKELWQFPVIBN-CABCVRRESA-N 329.465 4.194 0 40 EIAB CN(C)[C@H](CNc1ncnc2c1oc1ccccc12)c1ccccc1 23709134 VLNWQBRWOBFNBM-MRXNPFEDSA-N 332.407 4.091 0 40 EIAB CCOc1ccc(-c2n[nH]c(SCc3ccc(F)cc3)n2)cc1 26806916 RKQZHKAZNXJUSQ-UHFFFAOYSA-N 329.400 4.302 0 40 EIAB c1csc(-c2noc(CSc3cnc4ccccc4n3)n2)c1 27544330 WSWYVQCJZIIERL-UHFFFAOYSA-N 326.406 4.034 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N(Cc3cccs3)C3CC3)c2)cs1 30841245 DYSVWMAVJKXCKZ-UHFFFAOYSA-N 343.477 4.313 0 40 EIAB COC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 30933520 SLJNCAOQNMQBBQ-UHFFFAOYSA-N 325.408 4.331 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cccs1 31687138 VCBGHVFVCZAUFW-SECBINFHSA-N 330.236 4.139 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC1CC(C)(C)NC(C)(C)C1 36392700 CRPSUCXNFMQKQT-UHFFFAOYSA-N 331.504 4.242 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 39758051 NBQWDCMXPIUHNJ-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(F)cc1 39970426 OFMBDKTWGOVHMB-QGZVFWFLSA-N 330.428 4.198 0 40 EIAB Cc1ccc(-c2nnc([C@H](C)N3CCc4sccc4C3)o2)cc1 40033634 VDRGANBPRQBUGI-ZDUSSCGKSA-N 325.437 4.226 0 40 EIAB COc1ncccc1NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 40151170 OKKPQPKEOJRARN-OAHLLOKOSA-N 331.391 4.138 0 40 EIAB CC(C)(C)c1nnc(SCc2cc(Cl)c3c(c2)OCO3)o1 43240591 PIJRBUPOTWGRET-UHFFFAOYSA-N 326.805 4.042 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N[C@H](C)c1ccccn1 48333957 QDNRFTQKNYYLPN-LLVKDONJSA-N 334.217 4.035 0 40 EIAB Cc1csc(CNC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 48342130 OTFXJRRFQILWHE-XHDPSFHLSA-N 345.468 4.042 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1cccnc1 53674462 ZDVLINNFWTYMND-HXUWFJFHSA-N 328.371 4.347 0 40 EIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1C 54702615 NHELDOBNLGRAMS-HXUWFJFHSA-N 345.402 4.170 0 40 EIAB CCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765067 PBINZKPYQFGHBY-UHFFFAOYSA-N 349.818 4.449 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2cccnc2SC(F)(F)F)o1 58413310 LWFRCJZZECRZGY-VIFPVBQESA-N 330.331 4.086 0 40 EIAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1O 59474407 ZSCHGNUCIXERGO-UHFFFAOYSA-N 331.415 4.344 0 40 EIAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 69531381 RJGSPUDTZAGGEW-GFCCVEGCSA-N 338.329 4.065 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n1 72273901 XRKSPDTYAZJJOC-ZACQAIPSSA-N 344.455 4.448 0 40 EIAB Cc1cccnc1[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)C(C)C 72303971 GFMKJDJCWSFOBH-GOSISDBHSA-N 336.439 4.401 0 40 EIAB Cc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1 72324805 USJDIYHQAPMXCH-UHFFFAOYSA-N 343.430 4.016 0 40 EIAB biogenic CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCCO)o3)cc2C1 72627903 GEAFIAYZNKNWPR-LLVKDONJSA-N 338.498 4.034 0 40 EIAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Oc2cnccn2)c1 76619702 XLNGBONCGZQDRH-RKVPGOIHSA-N 337.423 4.062 0 40 EIAB Cc1noc(C)c1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 89526125 HBFVEFMHCUIRMF-UHFFFAOYSA-N 347.484 4.065 0 40 EIAB CC(C)(C)OC(=O)NCC1CCN(c2nsc3ccccc23)CC1 91351485 ZVTKXYNQRLVJNG-UHFFFAOYSA-N 347.484 4.037 0 40 EIAB COc1ccccc1CNc1ccc(CN(C(C)=O)C(C)C)cc1 95429195 LUSIBRXKINSOCN-UHFFFAOYSA-N 326.440 4.064 0 40 EIAB CCN(Cc1cc(Cl)ccc1S(=O)(=O)CC)C1CCCCC1 95453795 KDVAQHDWSVKXST-UHFFFAOYSA-N 343.920 4.288 0 40 EIAB O=C(CCc1nc2ccccc2s1)Nc1ccc(Cl)cc1O 95947772 WQLLIJJYPRYSIY-UHFFFAOYSA-N 332.812 4.227 0 40 EIAB COc1ccccc1Oc1ccc(CN[C@H](C)c2cnccn2)cc1 95967874 ZANBYDZPEWZJRD-OAHLLOKOSA-N 335.407 4.128 0 40 EIAB Cc1cccc(NC2CCN(C(=O)c3nccc4ccccc34)CC2)c1 96420980 DWZXISQUHRLVGF-UHFFFAOYSA-N 345.446 4.260 0 40 EIAB CCOC(=O)c1cc2cc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)ccc2s1 103130315 KSFFSQCJTJBOPO-SLEUVZQESA-N 341.432 4.229 0 40 EIAB CSc1ccsc1C(=O)Nc1ccnn1Cc1ccc(F)cc1 107111439 NSYDIZCZKRDIEG-UHFFFAOYSA-N 347.440 4.106 0 40 EIAB C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)CC1CCOCC1 127202598 UJFSFZKTCAONLV-CHWSQXEVSA-N 343.389 4.130 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)cc2Cl)c1 191148208 JGZMRJZNUBUMJQ-GFCCVEGCSA-N 333.815 4.157 0 40 EIAB CCCOc1cccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 216957070 LCKBHEALGNWTSC-UHFFFAOYSA-N 337.375 4.125 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NC[C@H](C)c2ccccc2)c1 223401104 QLCXHJKELWORFD-KRWDZBQOSA-N 327.493 4.457 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccc(F)cc1 224678734 LPLDQTITCAKJTF-UHFFFAOYSA-N 331.456 4.196 0 40 EIAB CCc1ccc(CC(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 225355805 HRZNOAHGSPHKLL-GOSISDBHSA-N 341.451 4.076 0 40 EIAB Cc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1Cl 225427129 DLJHKGRSAXZVOI-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB CC(C)OC(=O)c1cc(N)ccc1Nc1cccc(Br)c1 225471110 ZTJDTKZXDZUEND-UHFFFAOYSA-N 349.228 4.340 0 40 EIAB Cc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)nc1 225616610 JETVGUCSGIYVSA-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1Cl 225639349 UKKFZLQKMXPGMK-SJCJKPOMSA-N 325.836 4.273 0 40 EIAB Cc1ccccc1CSCCNC(=O)Cc1cccc(Cl)c1 225644488 NCABOTWJCJJQKW-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB COc1ccccc1CN(C)C(=O)c1cc(C(C)C)c(OC)cc1C 225664007 REJIUEILZMEYOI-UHFFFAOYSA-N 341.451 4.408 0 40 EIAB Cc1cccc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)oc12 226035862 LACZDFMQROVOLG-LBPRGKRZSA-N 341.794 4.246 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc2cc(C)ccc2oc1=O 226036954 JAFIXXWYWFGUDQ-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CC(C)(C)c1ccc(C(=O)NOCCOc2ccccc2)cc1Cl 1558777600 GBCVQGUGFPKTFX-UHFFFAOYSA-N 347.842 4.378 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1cccs1 1775966576 MHJARTLUAFVSGG-NSHDSACASA-N 335.475 4.002 0 40 EIAB O=c1c2ccccc2nc(-c2ccccc2F)n1CCc1ccccc1 33254 BTWCDQXEHVUOHZ-UHFFFAOYSA-N 344.389 4.445 0 40 EIAB CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 56446 MXYUKLILVYORSK-PWRODBHTSA-N 337.463 4.236 0 40 EIAB Cc1sc2ncnc(SCC(=O)Nc3ccccc3F)c2c1C 114409 NMMFUBUUDFHMKZ-UHFFFAOYSA-N 347.440 4.178 0 40 EIAB O=C(NC(Cl)=C(Cl)Cl)Nc1ccccc1-n1cccc1 159301 ZZKGBWZEKTUDJB-UHFFFAOYSA-N 330.602 4.442 0 40 EIAB COc1cc2sc(NC(=O)c3ccccc3F)nc2cc1Cl 557404 LQPFTGAGCWTYQJ-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB CCC(C)(C)NC(=O)CSc1nc(C(C)C)nc2ccccc12 1355991 QVYQCWUVLGHUIS-UHFFFAOYSA-N 331.485 4.150 0 40 EIAB O=C(NCc1ccco1)c1cccnc1SCCC(F)=C(F)F 1398631 NXHZPCLTOGDBIE-UHFFFAOYSA-N 342.342 4.164 0 40 EIAB COc1ccc2ncccc2c1Cc1c(OC)ccc2ncccc12 1724565 NHYLTEGTGGEJOI-UHFFFAOYSA-N 330.387 4.391 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 3384328 NKHMZXNCMHBSMZ-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB COc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)c(OC)c1 3458565 YVOFZNAOKZEAES-UHFFFAOYSA-N 346.452 4.346 0 40 EIAB COc1ccc(NC(=O)c2oc3ccc(OC)cc3c2C)c(OC)c1 3517150 QSHVRWBXTASBHH-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB CCCSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079405 QZPJDAFERYJRAY-UHFFFAOYSA-N 347.387 4.311 0 40 EIAB Cc1ccc(CSC2=NCCN2C(=O)c2cc(C)cc(C)c2)cc1 4120354 XDRNEDYJJRVJBK-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB COc1cccc2sc(NC(=O)CSc3ccc(C)cc3)nc12 4496433 OAJOZCHPKBNKTP-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)c1 5080133 AJXPTYGISDOSAG-IBGZPJMESA-N 349.386 4.433 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 5446861 LECIWVMMBWBHEY-PXXWCDJASA-N 349.559 4.233 0 40 EIAB Clc1ccc(OCCSc2nc(-c3ccccc3)n[nH]2)cc1 6178370 YMHYICYZDFGUQH-UHFFFAOYSA-N 331.828 4.296 0 40 EIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C)o1 6278957 OHVPSNPAQFDTQM-UHFFFAOYSA-N 341.388 4.355 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1 6495786 QCKORVXKOYLUIA-IZZDOVSWSA-N 325.755 4.042 0 40 EIAB C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccnc1 7180330 AQSKRDRHYVKVJI-INIZCTEOSA-N 332.403 4.005 0 40 EIAB Oc1cccc2c(NC(=S)NCc3ccc(F)cc3)cccc12 7352349 NUYVUFXERAJISC-UHFFFAOYSA-N 326.396 4.171 0 40 EIAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2ccccc2)o1 7602132 PVGWXSUTEUQUBO-UHFFFAOYSA-N 349.419 4.006 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)ccc2o1 7941019 RTJXPXCMOIWHRQ-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(F)c1 7954062 RMVRFWPHUVDBJI-IBGZPJMESA-N 338.382 4.037 0 40 EIAB O=C(CNc1ccc(F)cc1Cl)Nc1ccc(OC(F)F)cc1 7972567 WRANWKIFVIDZRC-UHFFFAOYSA-N 344.720 4.131 0 40 EIAB CN(C)c1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 7983818 FSEDJCACIGKNHV-UHFFFAOYSA-N 336.310 4.079 0 40 EIAB CC(C)[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(F)cc1 8003820 OADWDRGVDFXMNN-GOSISDBHSA-N 336.357 4.029 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)oc2c1 12111564 MGBQMFGUKQTYHT-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB Cn1/c(=N\C(=O)c2ccc(Cl)cc2)sc2cccc(Cl)c21 12180812 MDLHPMHKHVNOEW-OBGWFSINSA-N 337.231 4.288 0 40 EIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3cccnc23)cc1 12974740 ZQONFTVDFZSXDM-AWEZNQCLSA-N 336.391 4.040 0 40 EIAB Cc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 13570370 PQVMXWNQHDUGMP-UHFFFAOYSA-N 338.436 4.276 0 40 EIAB CC(C)c1ccc(CCC(=O)Nc2nccc(-c3ccco3)n2)cc1 13644791 JILJFQLWSASIEQ-UHFFFAOYSA-N 335.407 4.431 0 40 EIAB Cc1ccc(CN(Cc2cccc(OC(C)C)c2)C[C@@H](C)O)s1 13991960 XZJAAVSBPOXRAN-OAHLLOKOSA-N 333.497 4.227 0 40 EIAB COc1ccc2cc(C(=O)Nc3cccc(C(C)=O)c3)c(C)nc2c1 14017841 XWPWSTAPKLGTDK-UHFFFAOYSA-N 334.375 4.007 0 40 EIAB Cc1cc(C)cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)c1 15590252 PIMNKEYDRMOABZ-UHFFFAOYSA-N 326.421 4.258 0 40 EIAB COc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)no2)cc1 15669816 MHXJHYGZLMUJQD-UHFFFAOYSA-N 329.739 4.223 0 40 EIAB Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 15935446 ABJOISVBEVLEPM-UHFFFAOYSA-N 340.398 4.261 0 40 EIAB COc1ccc(-c2cs/c(=N\c3ccccc3C)n2C(C)=O)cc1 16776947 ZGHYXUVTIYCUPI-VXPUYCOJSA-N 338.432 4.426 0 40 EIAB COc1cccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 17071209 KUQRYPBINVSRML-UHFFFAOYSA-N 340.370 4.201 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(F)c1 20138137 DARYPHPJFDJQFA-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(C)cc1 20454783 HUHCUFZRASRJAS-IBGZPJMESA-N 325.452 4.428 0 40 EIAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 20495119 WKULCKDMKLBTSH-DHDCSXOGSA-N 344.823 4.058 0 40 EIAB CCS(=O)(=O)c1ccc(NC(=O)CCCC2CCCCC2)cc1 21692359 QZAGMSBDHFBVLN-UHFFFAOYSA-N 337.485 4.169 0 40 EIAB FC(F)(F)c1cnc(-c2ccnc(-c3cccnc3)n2)c(Cl)c1 22996562 LMLSZCCZVGXKCU-UHFFFAOYSA-N 336.704 4.273 0 40 EIAB CCc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc1 24510206 SDZZVIOEEZFIRI-UHFFFAOYSA-N 325.412 4.031 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3c(C)noc3n2)cc1 25050100 RDIZHXHUFLSLNL-UHFFFAOYSA-N 349.434 4.379 0 40 EIAB Cc1cccc(OCCCNC(=O)c2ccccc2C(F)(F)F)c1 25460861 XTACITXEPMXPDY-UHFFFAOYSA-N 337.341 4.213 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@@H]2CCCC[C@@H]21 25530090 WLTGVPPFUWPJRC-ZFWWWQNUSA-N 330.453 4.127 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCCC2)cc1 27581705 KQHFVPLGTLGQAM-OAQYLSRUSA-N 336.479 4.260 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(C2CC2)s1 28250431 RVDVFURWSDVVJH-NSHDSACASA-N 345.468 4.119 0 40 EIAB CC(=O)c1ccc(C(=O)OCc2coc(-c3cccs3)n2)s1 32776836 TZLFSWNZDSSPKR-UHFFFAOYSA-N 333.390 4.024 0 40 EIAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(F)cc1F 32788689 JYUVYLBWOGRKGD-UHFFFAOYSA-N 331.347 4.065 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)c2cccnc2SCC(F)(F)F)C1 33184930 QGBMBINMIVZREB-MNOVXSKESA-N 332.391 4.045 0 40 EIAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39750248 JVXARJZHLIQDJL-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB CN(Cc1cc(=O)n2c(-c3ccccc3)csc2n1)c1ccccc1 41108702 AIJLOCCUAVUKSE-UHFFFAOYSA-N 347.443 4.059 0 40 EIAB O=C(Nc1ccccc1-n1cccn1)c1ccccc1C(F)(F)F 47974142 RTZARLDLEZYXHR-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB O=C(Nc1cccc(-n2cccn2)c1)N1CCC(c2ccccc2)CC1 48277156 CODMXTIITUBHEQ-UHFFFAOYSA-N 346.434 4.284 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2c1 58390686 UYUVUXHOCUNYKZ-FOIQADDNSA-N 340.467 4.177 0 40 EIAB Cc1cc(Cl)c(NC(=O)N(C)Cc2ccncc2)c2cccnc12 69807869 AZXUWLIFSRLCDD-UHFFFAOYSA-N 340.814 4.256 0 40 EIAB CCCN(C(=O)c1ccncc1Cl)[C@@H]1CCc2ccccc2C1 73050687 DDMZIZQIMVEKER-MRXNPFEDSA-N 328.843 4.145 0 40 EIAB C[C@H](Nc1cccc(N2CCOC2=O)c1)c1ncc(-c2ccccc2)o1 76084278 XTQIWINDMXBIGZ-AWEZNQCLSA-N 349.390 4.471 0 40 EIAB Cc1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)c(C)c1 82086950 MHSTVSGDTSBZJK-UHFFFAOYSA-N 349.478 4.328 0 40 EIAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)cc1 89948699 UFWSIRDZPDKLCM-DXCKQFNASA-N 342.405 4.003 0 40 EIAB C[C@@H]1C[C@H](c2ccsc2)CN1Cc1nnc(-c2cccs2)o1 95401047 WYOQIJNWQJCASY-YPMHNXCESA-N 331.466 4.238 0 40 EIAB CC(C)c1cnc(-c2ccc(NC(=O)CCc3cscn3)cc2)o1 96408355 STNGXQYXGNOCSC-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2 100425692 LSGJJWILUVPJIQ-DSJWGCTQSA-N 326.484 4.002 0 40 EIAB Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)o1 102199421 QQTRQHNUZMDVQA-ISTRZQFTSA-N 336.428 4.057 0 40 EIAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)cc1 107504577 UFWSIRDZPDKLCM-SUYBPPKGSA-N 342.405 4.003 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1 216255995 AREKWJIMMHQRDF-SFHVURJKSA-N 331.843 4.246 0 40 EIAB O=C(NCCCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 222637696 DTOMJLAKUCIJLU-UHFFFAOYSA-N 343.858 4.304 0 40 EIAB CCSc1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 225605549 NMXGSFOQOFAFKC-UHFFFAOYSA-N 325.430 4.047 0 40 EIAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1 225618112 ZMRYUJICULRTPU-INIZCTEOSA-N 332.241 4.259 0 40 EIAB CCCCN1CC=C(c2nc3cc(Br)ccc3o2)CC1 226251009 LBHUKNFJJPZZNH-UHFFFAOYSA-N 335.245 4.480 0 40 EIAB COc1ccc(/C=C/C(=O)O)cc1NC(=O)c1ccc(C(C)C)cc1 226357056 BZYAMBIJHSJPPD-VZUCSPMQSA-N 339.391 4.169 0 40 EIAB CCN(C(=O)c1c(-c2cccs2)noc1[C@H](C)O)C1CCCCC1 253402424 OIERWGCAWSDUJH-LBPRGKRZSA-N 348.468 4.251 0 40 EIAB biogenic,in-vitro COC1CCN(c2ccc(C(=O)Nc3cccc(C)c3C)cc2)CC1 253408684 YMAGSJGRPCIAKE-UHFFFAOYSA-N 338.451 4.171 0 40 EIAB COc1cccc(Cc2cnc([C@H]3CCN(Cc4ccccc4)C3)o2)c1 257209402 BQEXHEUDIFLNQJ-IBGZPJMESA-N 348.446 4.264 0 40 EIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 408706863 GHRLYVDZSPALBR-NSHDSACASA-N 345.270 4.265 0 40 EIAB COc1ccc(OC)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c1 409121836 WWUVFMIUGQBKJB-PDGQHHTCSA-N 337.419 4.247 0 40 EIAB C[C@H](CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2)c1nccs1 541416200 DNHJKFYTFINJRZ-PGBRGIIUSA-N 332.513 4.312 0 40 EIAB CC(C)[C@@H]1N(C(=O)NCCc2cccc3[nH]ccc23)CC12CC=CC2 645492430 LQKRPXLNHXALHQ-IBGZPJMESA-N 337.467 4.097 0 40 EIAB CC[C@H](C)OC(=O)OCCCC(F)(F)C(F)(F)Br 1083809799 KEDKVBFPVKANIB-ZETCQYMHSA-N 339.123 4.341 0 40 EIAB Cc1ccccc1C(=O)Nc1cnn(-c2ccc(F)cc2F)c1C 1527034139 ORKLPIOIMDRTPF-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB CCOC(=O)c1sc2c(c1NC(=O)c1ccccc1C)CCCC2 62764 PTGAKNOKAZMLFM-UHFFFAOYSA-N 343.448 4.364 0 40 EIAB Cc1cccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)c1 271323 VTRFPASGCHUVHC-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccccc1 411671 HHKCKALQPRFHMV-UHFFFAOYSA-N 333.387 4.283 0 40 EIAB CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1F 521091 WWHHGJITCMYNNW-UHFFFAOYSA-N 344.363 4.436 0 40 EIAB CC1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 525359 ZWANYWRAKXRMQA-UHFFFAOYSA-N 338.476 4.100 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 577745 XHYGMNLDHYAZRM-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CCOC(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O 1569597 DBWJCXHMZYCAKR-UHFFFAOYSA-N 346.180 4.229 0 40 EIAB Cc1ccc([C@]2(O)c3ccccc3C(=O)N2c2ccccc2C)cc1 1726876 PSOUOVAITBKAKF-QFIPXVFZSA-N 329.399 4.157 0 40 EIAB Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1 3234328 OFHGMGJCGZLUNK-UHFFFAOYSA-N 331.828 4.456 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)NCCOc1ccccc1 3338535 XZZMFWZEIPCSQQ-UHFFFAOYSA-N 335.856 4.017 0 40 EIAB Cc1ccc(-n2ncc(-c3ccc(Br)cc3)c2N)cc1 4290745 LNVODDQVYDDAJY-UHFFFAOYSA-N 328.213 4.192 0 40 EIAB CN1/C(=C\C=C2\N=C(c3ccccc3)OC2=O)C(C)(C)c2ccccc21 4871598 DRLIYWXDCOMNNN-KGLWARJVSA-N 344.414 4.185 0 40 EIAB Cn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(Cl)ccc21 5123810 NJGJKMNIRSCMOL-CKDLGJHRSA-N 328.824 4.034 0 40 EIAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 5434621 AZMAYQIEEMLXBK-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CCOc1ccc(-n2c(-c3ccccc3)cs/c2=N\C(C)=O)cc1 5568935 DKQDQQKTXXVHNI-VXPUYCOJSA-N 338.432 4.052 0 40 EIAB O=c1cc(CN[C@H]2CCCc3ccccc32)c2cc3c(cc2o1)CCC3 6552449 JDVWASOULQRXKN-NRFANRHFSA-N 345.442 4.449 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1OCC 6892578 FOCMPXSGVIQWAX-UHFFFAOYSA-N 329.396 4.053 0 40 EIAB CSc1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 7053494 OUAWUGMYSMFJLG-MDZDMXLPSA-N 339.869 4.475 0 40 EIAB COc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCC2)cc1 7275514 VFHWIXMQUOYZSQ-UHFFFAOYSA-N 340.398 4.106 0 40 EIAB CCn1c(S[C@H](C)C(=O)c2ccc(C)c(C)c2)nnc1C1CC1 7618376 SZMSJBCOEPOFLG-CYBMUJFWSA-N 329.469 4.156 0 40 EIAB Cc1noc(C)c1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 7738261 VSMAGEJHZQAIMX-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB CN(Cc1ccc(F)cc1)Cc1nnc(-c2ccc(Cl)cc2)o1 8120258 OLYLXCLKQOTKMQ-UHFFFAOYSA-N 331.778 4.161 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccco1 8180738 PEQXNCAHWGDVHX-GQCTYLIASA-N 329.705 4.281 0 40 EIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccccc1F 8329127 BKFXRSWLLDVUER-UHFFFAOYSA-N 333.384 4.194 0 40 EIAB C[C@@H](CCc1ccco1)NC(=O)Cc1csc(-c2cccs2)n1 8776531 ORVIPBROGJRAOD-LBPRGKRZSA-N 346.477 4.145 0 40 EIAB CCOc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9901833 PODDDGPZLIMTJU-FMIVXFBMSA-N 346.430 4.165 0 40 EIAB COc1cccc2cc(C(=O)Nc3nnc(C4CCCCC4)o3)oc12 10882245 BXFFBYHWVQSFLB-UHFFFAOYSA-N 341.367 4.124 0 40 EIAB Cc1cc2occ(CC(=O)NCCCCCC(=O)O)c2cc1C(C)C 12759293 GXZWLYQYOVOHGU-UHFFFAOYSA-N 345.439 4.168 0 40 EIAB c1ccc(CNc2ncnc3c2oc2nc4c(cc23)CCCC4)cc1 12953262 HZZUDRGBSHWQQL-UHFFFAOYSA-N 330.391 4.262 0 40 EIAB CCn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21 16695607 SNWDZOFJCDNKNB-UHFFFAOYSA-N 343.430 4.068 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c(OC)c1 16706391 XKPLKIKGPKKHPJ-XXQHYGDVSA-N 327.380 4.072 0 40 EIAB CCOc1ccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)cc1 17068447 RFJZJRXUFVFJIS-UHFFFAOYSA-N 332.450 4.125 0 40 EIAB CCOc1ccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)cc1 21524375 AHLIIXOQVVECJW-UHFFFAOYSA-N 336.391 4.229 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)N[C@@H](C)c3ccccc3)[nH]c2c1 22045986 MOAOVYSOTOYTSE-UONOGXRCSA-N 339.464 4.229 0 40 EIAB CCc1nc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2s1 22254771 UBDKKMPXUHTQGK-UHFFFAOYSA-N 342.420 4.128 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1 22527068 BHEDDUAOMQXAEZ-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1ccccc1 24502370 QAPBXCSPBCUVGE-UHFFFAOYSA-N 326.421 4.307 0 40 EIAB C=C1c2ccccc2NC(=O)N1Cc1ccc(NC(=O)C2CC2)cc1 24986104 WBKYELLTMRRQSJ-UHFFFAOYSA-N 333.391 4.054 0 40 EIAB CC[C@@H]1CCCN(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 26781030 DAEXSSOBURHTQY-IQIXRORZSA-N 349.559 4.092 0 40 EIAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)ns1 27740422 MEUATLYXZNIBDV-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)s1 27921893 GGGZOEHMRJMKIB-UHFFFAOYSA-N 343.427 4.310 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2ccccc21 28643085 YNDWYUORORUDOR-ACJLOTCBSA-N 329.827 4.301 0 40 EIAB O=C(Nc1ccccc1O)c1cc(-c2cccnc2)nc2ccccc12 32646496 BMCFJUGWZNYSDF-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB Fc1ccc([C@H]2CCCN2Cc2cn3cc(Cl)ccc3n2)cc1 32901234 NVMVQEMDRCLTOM-QGZVFWFLSA-N 329.806 4.464 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Nc1ccccc1 32973874 YGZGHCQJCLDXBJ-UHFFFAOYSA-N 346.386 4.454 0 40 EIAB FC(F)(F)c1cccc([C@H]2C=C(c3ccccc3)NC(=S)N2)c1 35023165 JUEMCAVLFASREK-OAHLLOKOSA-N 334.366 4.265 0 40 EIAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2nc(-c3ccccc3)c(C)c2n1 40216646 KDGWSTQSEJCRHX-GASCZTMLSA-N 334.467 4.495 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2nccs2)cc1 42652196 IDSYYCBOJBMACL-OAHLLOKOSA-N 331.441 4.301 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1cccc(C(F)(F)F)c1)SCC(O)=N2 49549078 QNIFBVAKIHCVRP-CYBMUJFWSA-N 341.358 4.172 0 40 EIAB COCc1c(C(=O)Nc2ccc3nc(C)oc3c2)oc2ccccc12 58357004 GVSPWTZYNKXOAC-UHFFFAOYSA-N 336.347 4.281 0 40 EIAB Cc1ccc(CS(=O)(=O)Cc2csc(CCC(C)C)n2)cc1 58439336 UWCPNUNCGPJNGF-UHFFFAOYSA-N 337.510 4.155 0 40 EIAB C/C1=N/CCSCc2ccccc2CSCCNC(C)(C)C1 68604977 CTYXFIPCLTVCHO-CYVLTUHYSA-N 336.570 4.386 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 71899781 AMBIGCJMTOLXGJ-GFCCVEGCSA-N 337.379 4.221 0 40 EIAB C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1c1nccs1 72291660 HOFPJNAFQMAWES-BBRMVZONSA-N 332.444 4.215 0 40 EIAB COc1cccc2c1ccn2CCC(=O)Nc1cccc2c1ccn2C 72324754 RTDOTPJOGBNQDF-UHFFFAOYSA-N 347.418 4.170 0 40 EIAB biogenic Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CC1CCCC1 76018086 SVHSVSXSUCWXKI-UHFFFAOYSA-N 345.443 4.005 0 40 EIAB CN(Cc1ncc(C2CC2)o1)C(=O)c1ccc(Oc2cccnc2)cc1 89364911 RPIOQJKVFPTEEZ-UHFFFAOYSA-N 349.390 4.012 0 40 EIAB COc1cc(CNc2ccccc2CO)cc(Cl)c1OC(F)F 95428604 CVUCDYYAUDGJMY-UHFFFAOYSA-N 343.757 4.054 0 40 EIAB CCO[C@H](C)c1noc(CSc2nc3cc(Cl)ccc3o2)n1 96413115 STRVEXQAZCYKHB-MRVPVSSYSA-N 339.804 4.254 0 40 EIAB COc1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1 213057138 VXKVIHLBZRGAGS-GIJQJNRQSA-N 337.419 4.208 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 219042130 RDLHMCQSKIEHFZ-MRXNPFEDSA-N 349.430 4.322 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 224338872 GMVBDYNBUNKYOW-CYBMUJFWSA-N 349.883 4.188 0 40 EIAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CC3)o2)cc1 224915686 ZUGHFCCEAXLDPG-UHFFFAOYSA-N 348.402 4.300 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225129345 GDYGMXOPKLLOOA-UHFFFAOYSA-N 326.421 4.205 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H](C)c1ccccc1 225134395 CRPXPVWWDMRIRW-SJORKVTESA-N 337.463 4.253 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C)n1 225904732 BVGVZLMJUNXTEC-IBGZPJMESA-N 336.476 4.349 0 40 EIAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1OC 225942716 SHBGUYMXZLWDNE-UHFFFAOYSA-N 327.424 4.220 0 40 EIAB CSc1cccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1 226039992 CNGVJVXEJJPOOT-UHFFFAOYSA-N 345.807 4.421 0 40 EIAB CC1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2N)CC1 226266106 AWLCRAGHUMEKCG-UHFFFAOYSA-N 343.858 4.411 0 40 EIAB Fc1ccc(Cc2cnc([C@@H]3CN(C4CCCCC4)CCO3)o2)cc1 257206479 BDQYIBHSCOKDLC-IBGZPJMESA-N 344.430 4.111 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)CC1 257276206 NSUGTTRRAGHRDE-INIZCTEOSA-N 349.434 4.016 0 40 EIAB O=C(NC[C@@H]1COc2ccccc21)Nc1ccc(C(F)(F)F)cc1 573040465 HBSSVNFQJSSZDV-LLVKDONJSA-N 336.313 4.003 0 40 EIAB CCn1cncc1[C@H]1CCCCN1C(=O)Nc1cccc(C)c1F 1615572252 REFMNFQHLOCAFZ-OAHLLOKOSA-N 330.407 4.110 0 40 EIAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(Cc4csc(C)n4)C[C@@H]32)nc1 2037834940 JXXIOKFKGHVOEZ-MBOZVWFJSA-N 341.524 4.246 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12)OCCO3 2049238412 QGISYVREUUQQKE-BUJXUYPKSA-N 332.484 4.341 0 40 EIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 2049238429 SLODIKZFXFILEX-VHFSTGMOSA-N 332.484 4.341 0 40 EIAB O=C(OCCc1ccccn1)C1c2ccccc2Oc2ccccc21 206667 DTBUDUCJUSWEFV-UHFFFAOYSA-N 331.371 4.105 0 40 EIAB COc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 525963 BTOYXVPPLVBJBE-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 570270 GQRNBTFTCPNXTH-UHFFFAOYSA-N 334.828 4.029 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)n1 2638467 FWZZCPCGCYCZQO-UHFFFAOYSA-N 339.826 4.073 0 40 EIAB O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 3355966 FIFNKYABEMUIAF-RMKNXTFCSA-N 330.796 4.352 0 40 EIAB O=C(c1ccccc1Cl)N1CCN=C1SCc1ccccc1 4119809 ZQKJLYWWNIQPMQ-UHFFFAOYSA-N 330.840 4.085 0 40 EIAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 5214089 ZRLGRDJRQOOVOQ-GDNBJRDFSA-N 329.352 4.075 0 40 EIAB Cc1nn(C)c(C)c1/C=C/C(=O)OCc1ccc(-c2ccccc2)cc1 5775772 DFJFQPDZFGOYOJ-BUHFOSPRSA-N 346.430 4.461 0 40 EIAB O=Cc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc12 6045783 WGSZKCQOMSYLKB-UHFFFAOYSA-N 347.201 4.399 0 40 EIAB Cc1ccc/c(=N/P(=O)(Oc2ccccc2)Oc2ccccc2)[nH]1 6131827 NUZKBSGOKIUUQH-UHFFFAOYSA-N 340.319 4.490 0 40 EIAB Cc1cccc(NC(=O)CCSc2nnc(-c3ccoc3C)o2)c1 6207159 PJQWLZWQDCRDHN-UHFFFAOYSA-N 343.408 4.067 0 40 EIAB Clc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2 6557444 WGDSVLSMHKGHOV-UHFFFAOYSA-N 338.823 4.230 0 40 EIAB Brc1cccc(COc2ccc(-c3nnco3)cc2)c1 6589510 BGQZXCTYFWLACE-UHFFFAOYSA-N 331.169 4.078 0 40 EIAB COc1ccc(-c2nc(C)c(C(=O)NCc3cccs3)s2)cc1 6760354 GFEJHLZRQDJJBC-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 7218333 PVOPFQBZEABTSB-UHFFFAOYSA-N 345.851 4.314 0 40 EIAB Cc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1C 8060345 OKKCNHXDMZBLIA-UHFFFAOYSA-N 326.421 4.068 0 40 EIAB O=C(Nc1ccc(OCCOc2ccccc2F)cc1)c1ccco1 8192753 AKOFUZIAAHHCNX-UHFFFAOYSA-N 341.338 4.129 0 40 EIAB COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1Cl 8471696 DKPPEYREZRVDMP-UHFFFAOYSA-N 335.806 4.319 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)c(Cl)c1 8499802 DVTXMKMOAVUALW-HNNXBMFYSA-N 333.815 4.453 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 8556588 AKOAGAMQSVMJCL-JLHYYAGUSA-N 340.398 4.006 0 40 EIAB O=C(c1ccccc1Cl)N1CCCC[C@H]1CCN1CCCCC1 8613209 FVZPRTQCCSJOBT-INIZCTEOSA-N 334.891 4.211 0 40 EIAB COc1ccc(OC)c2c1[C@@H](c1cccc(N)c1)O[C@@H]1CCCC[C@H]21 8783560 BVMLGIDRODFNIZ-GCKMJXCFSA-N 339.435 4.432 0 40 EIAB CC(=O)c1cccc(NC(=O)CSCc2cccc(F)c2F)c1 9596491 KDBJSRKMPDXXHW-UHFFFAOYSA-N 335.375 4.039 0 40 EIAB O=C(Nc1ccccc1Br)c1cc(-c2ccccc2)on1 11916714 BXUJBIGCIJIYMZ-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 12379860 NCMZQTLCXHGLOK-WHHPXKAQSA-N 330.468 4.450 0 40 EIAB Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1 13495235 QTACCAOLRALORM-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB CCCCCCSc1nc(O)c(CC)c(=O)n1-c1ccccc1 16513558 AGTDNBWXYAZSRX-UHFFFAOYSA-N 332.469 4.173 0 40 EIAB Cc1cc(C)c2sc(NC(=O)Cc3ccc(Cl)cc3)nc2n1 17014093 QEGSNYCEROAYCW-UHFFFAOYSA-N 331.828 4.143 0 40 EIAB c1csc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1 19343419 VBVBJCNXJMCUEG-UHFFFAOYSA-N 331.466 4.239 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2ccccc2)o1 22008353 BRXMXWOREJINKH-KRWDZBQOSA-N 348.446 4.412 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 22521401 LBWNMHKFVBYJSM-HNNXBMFYSA-N 325.452 4.413 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(Cl)c(Cl)c1 24710999 OKFOJWJJJNIVOZ-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2c[nH]c3ccccc23)n1 25015089 UXMYUTIEEVQGNT-UHFFFAOYSA-N 344.418 4.152 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27583882 FLFCJWNVDLHLTR-LJQANCHMSA-N 342.870 4.215 0 40 EIAB Cc1ccnc(NC(=O)c2ccc(COc3cc(C)ccc3C)o2)c1 28234999 MPEFVNPYCGAIOL-UHFFFAOYSA-N 336.391 4.431 0 40 EIAB O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(N2CCCC2)cc1 31474466 HPJUGKHQZOEGDD-UHFFFAOYSA-N 346.377 4.069 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@H](c2cc(F)ccc2F)C1 31820434 FRQXOSCLPPSBLJ-AWEZNQCLSA-N 325.318 4.274 0 40 EIAB CC(=O)N1C(=S)OC(c2ccccc2)(c2ccccc2)[C@H]1C(C)C 31829567 WJCFTHCUULIELA-GOSISDBHSA-N 339.460 4.118 0 40 EIAB C[C@H](CNc1ncnc2scc(-c3ccccc3)c12)Cn1cccn1 32935548 ANVRPVVUOQZRLA-CQSZACIVSA-N 349.463 4.303 0 40 EIAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(N2CCCCC2)cc1 36621607 UFTZZQKNQBGJOD-FQEVSTJZSA-N 335.403 4.161 0 40 EIAB CC(C)c1ccc(NC(=O)NCc2ccccc2Cn2ccnc2)cc1 40024075 ZWXGJRZOFJBKCN-UHFFFAOYSA-N 348.450 4.377 0 40 EIAB O=C(/C=C/c1cccs1)NCc1ccnc(Oc2ccccc2)c1 40106863 CFQWMCNSELMEAG-CMDGGOBGSA-N 336.416 4.265 0 40 EIAB CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1F 40465839 DLBVBANJCJANKG-UHFFFAOYSA-N 331.778 4.161 0 40 EIAB COc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl 40526309 BFHZMVBUDINNHI-VIFPVBQESA-N 336.741 4.155 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1Cl 41095279 UITJMFZGQSNVTB-BXKDBHETSA-N 336.284 4.159 0 40 EIAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCCCC1 44900778 IFAOUOBFESSAIK-UHFFFAOYSA-N 334.463 4.266 0 40 EIAB Cc1ccc(/C=C/C(=O)N(Cc2ccncc2)C2CC2)cc1Cl 46043341 LYBIGUHFOWZNMV-QPJJXVBHSA-N 326.827 4.248 0 40 EIAB O=C(Nc1cccc(Oc2ncccn2)c1)[C@H]1CCCc2ccccc21 46292031 ZNFJNPYWNBAHCW-IBGZPJMESA-N 345.402 4.328 0 40 EIAB COc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1OC 48209578 DUYHLIDCLJHZBG-UHFFFAOYSA-N 331.437 4.457 0 40 EIAB COc1cc([C@@H](C)NC(=O)C2CCCC2)ccc1OC1CCCC1 48332548 WRAVHEROAPGYQC-CQSZACIVSA-N 331.456 4.384 0 40 EIAB COc1ccc2oc(=O)cc(CN(Cc3cccs3)C(C)C)c2c1 57570182 JGAKBRJDAPZQSO-UHFFFAOYSA-N 343.448 4.274 0 40 EIAB C[C@@H]1CCCN(Cn2nc(Nc3ccccc3F)sc2=S)C1 58164440 NXJMWZQIEJLOMT-LLVKDONJSA-N 338.477 4.246 0 40 EIAB O=C(OCc1c(Cl)ccc2cccnc12)c1n[nH]c2ccccc12 58653025 OBQFKPXTGGAURM-UHFFFAOYSA-N 337.766 4.122 0 40 EIAB COc1ccc2[nH]cc(C[C@@H]3C(=O)Nc4cc(Cl)ccc43)c2c1 62001409 IQBXGQDHLSQCCZ-HNNXBMFYSA-N 326.783 4.108 0 40 EIAB biogenic c1ccc(C(NCc2nc(-c3ccoc3)no2)c2ccccc2)cc1 69387890 ODTUMNPQNVOODZ-UHFFFAOYSA-N 331.375 4.209 0 40 EIAB c1cnc(-c2nc(CSc3cccc4cccnc34)cs2)nc1 69977579 YWJQBQJPEYSBAG-UHFFFAOYSA-N 336.445 4.441 0 40 EIAB CCc1nsc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 79071423 SFFXRSVYXZXTFL-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB COc1ccc(C(C)(C)c2cc(-c3sc(N)nc3C)ccn2)cc1 95629728 VCOAFSCFMOOTRC-UHFFFAOYSA-N 339.464 4.430 0 40 EIAB O=C(CC1CCCC1)N(Cc1cnc2ccccn12)c1ccccc1 96102989 YNCJNSDFELTWLU-UHFFFAOYSA-N 333.435 4.448 0 40 EIAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 96433266 BQEKFOZILFVDTB-CJNGLKHVSA-N 332.469 4.231 0 40 EIAB Cc1cccc(C)c1N1C(=O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C1=O 102550103 LXMXXHOFCGOTQV-OTWHNJEPSA-N 333.431 4.377 0 40 EIAB COc1ccc(-c2cc(O)n3nc(C)c(-c4ccc(F)cc4)c3n2)cc1 102699430 LXJVDFDVJSMUNG-UHFFFAOYSA-N 349.365 4.225 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=S)NC1CCCC1 133942773 CRGHXRCXMJWFKA-UHFFFAOYSA-N 327.291 4.295 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cc3ccc(O)cc3oc2=O)cc1 149727913 KFQZAGONHLCRRN-UHFFFAOYSA-N 337.375 4.048 0 40 EIAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 218956249 FUVDUYKPKROTDH-GOSISDBHSA-N 339.435 4.046 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1C 219504163 RTZXBWCKYGYZER-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(C(C)C)cc3)c2c1 225754642 ATXWAPVHCYZAQH-UHFFFAOYSA-N 348.446 4.380 0 40 EIAB CCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 226256450 SAGZAVHATUWSES-VMPITWQZSA-N 339.160 4.425 0 40 EIAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc3c(c2)OCCO3)c1 228950339 DUVXAMJTKFDMON-UHFFFAOYSA-N 342.395 4.234 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(F)cc(Cl)c1 358932609 ITFVJHKRYAEOIY-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)(C)C)cc1 408675278 HBYMDJSCDSSXIO-UHFFFAOYSA-N 334.419 4.012 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c(C)c1 408680596 NZEFCCFRNAWQQS-MSOLQXFVSA-N 325.452 4.208 0 40 EIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2)S1 408805373 ANWKJSISVSKRPM-UHFFFAOYSA-N 329.832 4.411 0 40 EIAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)cc2c1 524770164 OFDQJLBNZLYYOY-HNNXBMFYSA-N 344.418 4.153 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)Cc2csc3ccccc23)cc1F 575621749 SOSYECZWLMSWKL-LBPRGKRZSA-N 343.423 4.410 0 40 EIAB CC(C)n1c(SCc2cnc(C3CC3)o2)nc2ccccc2c1=O 585132950 JFBAKFNITYLXNW-UHFFFAOYSA-N 341.436 4.135 0 40 EIAB O=C(C1CCC2(CC1)CC2)N1CCC2(CCc3ccccc3O2)CC1 620231384 DONHZSSZZHGAPN-UHFFFAOYSA-N 339.479 4.343 0 40 EIAB Cc1nn(-c2ccccc2)cc1CNC1(c2ccccc2F)CCC1 647237115 BMUDQWJENPDIHT-UHFFFAOYSA-N 335.426 4.489 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)c(C)c1 75764 HJCUJLZQLUYSJO-UHFFFAOYSA-N 346.430 4.311 0 40 EIAB O=C1C[C@H](c2cccc(F)c2)Sc2nc(-c3ccc(F)cc3)nn21 472458 XJXSJWHZUGCMNV-CQSZACIVSA-N 343.358 4.101 0 40 EIAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(Cl)cn3)c2C1 2806416 UJQGYEYVTGRSSE-JTQLQIEISA-N 333.819 4.126 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2ccccc12 3490639 RMZXYCUQUAQFGY-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB Cc1ccc2c(CC(=O)Nc3nc(-c4ccccn4)cs3)coc2c1 3528592 CUGWIWKVPBODHB-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB CC(C)N(C(=O)Nc1ccc(F)c(Cl)c1)C1=NC[C@H](C)S1 4016196 DDFPKRRURYYPNA-VIFPVBQESA-N 329.828 4.213 0 40 EIAB COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 4085337 CBCNWSQQAZIOEP-HNNXBMFYSA-N 326.392 4.411 0 40 EIAB biogenic O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 4515023 IQSYBTDICUNQAM-UHFFFAOYSA-N 339.247 4.049 0 40 EIAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887757 HUINMZVYBSWLCT-SXLOBPIMSA-N 336.431 4.485 0 40 EIAB COCCn1cc(NC(=O)Nc2ccc(F)c(F)c2)c2ccccc21 5266522 POZZUWNUVSNCOH-UHFFFAOYSA-N 345.349 4.210 0 40 EIAB CC(C)COc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 5384311 SEMYONYYSGIJOY-UHFFFAOYSA-N 333.815 4.392 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2Br)c1 5724865 FFAQJNVTEXVJIU-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB C[C@H]1C[C@@H](C)CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 6007728 YYTKDJBCMXAENE-BETUJISGSA-N 330.453 4.017 0 40 EIAB CSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 6823436 ZJARZYJNVSBADE-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB COC[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 7349497 BLYXTSSTHCGOAG-CYBMUJFWSA-N 349.883 4.397 0 40 EIAB CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 7654552 SVSZTEUAYWXDHT-UHFFFAOYSA-N 339.313 4.365 0 40 EIAB O=C(Nc1ccc([C@@H]2NCCc3sccc32)cc1)c1ccccc1 8855253 KQCJVQATUOVCLS-IBGZPJMESA-N 334.444 4.236 0 40 EIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CC 9061988 XLRYFVLZPOUWHN-CYBMUJFWSA-N 345.892 4.000 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@@H]2CCCC[C@H]21 9501722 MQSBCVOVHXHCCW-QWXXHLNBSA-N 341.451 4.042 0 40 EIAB C[C@H](OC(=O)CSc1ncnc2sccc12)c1ccc(F)cc1 9718835 BPHMBVMFZRTOFI-JTQLQIEISA-N 348.424 4.227 0 40 EIAB O=C(Cc1ccc(Cl)s1)Nc1cccc(Br)c1 10061058 ONSFVXXNOJPPPZ-UHFFFAOYSA-N 330.634 4.345 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 11052422 JEEDGJXXJJFNHA-HNNXBMFYSA-N 337.419 4.319 0 40 EIAB CCc1cccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 12534277 HRVDHPMUGRWOHC-LLVKDONJSA-N 327.453 4.337 0 40 EIAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccn1 12620587 YZUZADXUSNSXBL-UHFFFAOYSA-N 337.360 4.310 0 40 EIAB CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 12628300 BKIVBSHNLOPQGO-UVTDQMKNSA-N 344.208 4.341 0 40 EIAB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(Br)cc1 12767499 OXXFXIMUEZHSMI-OAHLLOKOSA-N 348.240 4.339 0 40 EIAB S=c1scnn1CN1CCC(c2nc3ccccc3s2)CC1 12789092 QFMOPGUIZSXQHJ-UHFFFAOYSA-N 348.522 4.121 0 40 EIAB Cc1nc(-c2ccc(CNc3ncnc4sccc34)o2)cs1 12892284 PMSBIUHJKLWAGK-UHFFFAOYSA-N 328.422 4.328 0 40 EIAB Cc1nc(C)c(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)o1 13227642 FLQUKWSHWDRJAE-UHFFFAOYSA-N 349.434 4.168 0 40 EIAB CC(=O)Nc1ccccc1OCCOc1ccc(C(C)(C)C)cc1 14184753 FBZUEOWYTXPREF-UHFFFAOYSA-N 327.424 4.400 0 40 EIAB O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1noc2c1CCCC2 15726856 VFUWYKBBDNXFAG-UHFFFAOYSA-N 343.770 4.114 0 40 EIAB COc1cc(C(=O)Nc2ccc(F)cc2)nc2ccc(Cl)cc12 15829243 NZWKCVQJMRVNMH-UHFFFAOYSA-N 330.746 4.288 0 40 EIAB Sc1nnc([C@H]2C[C@H]2c2ccccc2)n1-c1ccccc1Cl 16039016 MXSIORKOPSDDFW-STQMWFEESA-N 327.840 4.481 0 40 EIAB Cc1ccc(NC(=O)c2cc(N)ccc2Cl)c(Br)c1 19275940 IQZQKSGMWYWJBB-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1 20145048 RXASYJJDVCNZCD-KPKJPENVSA-N 333.387 4.399 0 40 EIAB COc1ccc(OC)c(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 20447833 PCAYLIZJAKLLNM-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB COc1ccccc1CN(C)C(=O)CSCc1ccccc1Cl 20451344 RFPGIQYOGNZUGY-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB Cc1cc(NC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 22357919 SWHXURRFRVEHCC-SFHVURJKSA-N 339.370 4.375 0 40 EIAB CC[C@@H](C)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 23872459 MGRNJZOLPDNSMR-QRWLVFNGSA-N 341.451 4.150 0 40 EIAB Cc1cc(C)c2cc(C(=O)Nc3cccc(-c4nnco4)c3)[nH]c2c1 24738617 YDBFRXSCVSRJRM-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)CCCC(=O)c3cccs3)sc2C1 24843017 AWAQAEZAGDJXEX-LLVKDONJSA-N 348.493 4.321 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCCCC2)cc1 27662128 NJFVGYHNBSXSKW-KRWDZBQOSA-N 328.481 4.014 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)[C@H](C)c1ccccc1 35142180 ZZMZJZDPUQHIJM-DOMZBBRYSA-N 345.826 4.482 0 40 EIAB O=C(COc1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117323 ZDAQHIWVYVTXMD-HXUWFJFHSA-N 327.399 4.252 0 40 EIAB Fc1ccc(CN(CCCn2ccnc2)Cc2cccc(F)c2)cc1 43277666 OVBIMOVYHOMCDT-UHFFFAOYSA-N 341.405 4.254 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1 44883876 POMCSEVBCMIXCK-GOSISDBHSA-N 347.842 4.213 0 40 EIAB CN(Cc1csc(-c2cnn(C)c2)n1)[C@H]1CCCc2ccccc21 47265142 AMSDPQPFINEGMB-SFHVURJKSA-N 338.480 4.053 0 40 EIAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC(C)(C)C 53160568 OJGDYWXVJPHFRL-UHFFFAOYSA-N 338.860 4.212 0 40 EIAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)cc12 55671923 RKOVNDQIMHPUNO-SECBINFHSA-N 349.312 4.041 0 40 EIAB c1ccc(Cc2noc(CNc3ccccc3N3CCCCC3)n2)cc1 55825780 ALOVKQWSJWLNJA-UHFFFAOYSA-N 348.450 4.263 0 40 EIAB CNC(=O)c1cn(-c2ccccc2)nc1-c1cccc2ccccc12 65515040 NUZJCHUCPHAKPR-UHFFFAOYSA-N 327.387 4.052 0 40 EIAB CCCc1noc([C@H](C)N[C@@H](c2cccnc2)C2CCCCC2)n1 69443382 MGJUPBUIEZSHGX-KBXCAEBGSA-N 328.460 4.389 0 40 EIAB Cn1cc([C@@H]2CCCN2Cc2coc(-c3cccc(Cl)c3)n2)cn1 70038630 GADZKTGWTRNRBN-KRWDZBQOSA-N 342.830 4.066 0 40 EIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(F)c(F)c2F)S1 71289116 HUVRICCYRQHCNM-ZDUSSCGKSA-N 341.358 4.473 0 40 EIAB Cc1cc(NC(=O)[C@H](C)SCc2c(F)cccc2Cl)no1 71877683 ZOQYNJMZDUVIMN-VIFPVBQESA-N 328.796 4.036 0 40 EIAB Cc1csc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)n1 72022980 KRNPBIVBCFYIGR-VOTSOKGWSA-N 328.315 4.002 0 40 EIAB CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215373 WMHBYXPQMFVIFE-MRXNPFEDSA-N 331.460 4.142 0 40 EIAB CNc1ncc([C@H]2CCCCN2C(=O)OCc2ccccc2)cc1C 72219011 JPDTZETZPFWKQB-GOSISDBHSA-N 339.439 4.296 0 40 EIAB CSCc1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 77705367 XIONNEXRCWNWRC-GOSISDBHSA-N 344.480 4.185 0 40 EIAB C[S@](=O)Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl 79361074 FQXFYMIMRNAKOP-OAQYLSRUSA-N 342.247 4.124 0 40 EIAB Clc1cc(CN2CC[C@@H](c3ccccc3)C2)cc2c1OCCO2 84525545 QRXYHRNAZWUYMO-MRXNPFEDSA-N 329.827 4.101 0 40 EIAB Cc1nc2ccccc2nc1NC[C@H]1CCN(c2ccc(F)cc2)C1 89556231 OTDBRNJXDOGVMI-OAHLLOKOSA-N 336.414 4.016 0 40 EIAB CC1CCN(c2cc(N)sc2C(=O)c2ccc(Cl)cc2)CC1 96190600 WHDXDLNQKQBJCD-UHFFFAOYSA-N 334.872 4.451 0 40 EIAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)c1 102680730 DZLHRCTZVFXHBQ-ZULIPRJHSA-N 333.431 4.177 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CSc1nc3ccccc3o1)C2 102889041 ZOJYAXVXZMFELB-HGQUKEQDSA-N 344.480 4.251 0 40 EIAB CCC[C@@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373978 CVNVHOYBHQEWMN-GFJXEVPCSA-N 344.495 4.053 0 40 EIAB Cc1ccc([S@@](=O)Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 107943794 AUWSNMVKPHYZFG-HSZRJFAPSA-N 344.867 4.450 0 40 EIAB Cc1nc(-c2ccccc2NC(=O)NCCc2ccccc2)cs1 206909571 GHDKIPOTTXWTFN-UHFFFAOYSA-N 337.448 4.483 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCCc1ccc(F)cc1 216315517 GAYRHOLTKDXLHM-UHFFFAOYSA-N 337.394 4.350 0 40 EIAB CC1(C)C[C@@H](NC(=O)COc2ccccc2Cl)c2ccccc2O1 218849258 RUNHXIPNNURQBL-OAHLLOKOSA-N 345.826 4.137 0 40 EIAB Cc1ccc(/C=C/C(=O)NCCOc2ccc3ccccc3c2)cc1 223583332 IWROZXOSLCJIEU-JLHYYAGUSA-N 331.415 4.357 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc2c1 223680022 FCGFHGWZZOCFFX-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB COc1ccc(C(=O)NC2CC2)cc1CSc1ccc(C)cc1 224333459 GCYGZRLOOBKDQX-UHFFFAOYSA-N 327.449 4.188 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1Cl 224622968 IWNKKYQCAXZXAC-LBPRGKRZSA-N 333.815 4.238 0 40 EIAB CCOc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225107006 SKFYKIRXVUVLGW-IBGZPJMESA-N 342.435 4.458 0 40 EIAB COc1cc(N)ccc1NC(=O)c1cccc2c(Cl)cccc12 227146517 HVMHJYAJSYLMAH-UHFFFAOYSA-N 326.783 4.336 0 40 EIAB Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)no1 331572740 QZJZVJXKVBHWHN-KGLIPLIRSA-N 338.329 4.068 0 40 EIAB CCc1ccc(NC(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 408713255 QABYAZQBADAOME-UHFFFAOYSA-N 334.419 4.145 0 40 EIAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccccc2)c1 408848083 WWRYVZLGOSNJLS-HMMYKYKNSA-N 339.398 4.225 0 40 EIAB Fc1ccccc1-c1nnc2c(C(F)(F)F)nc3ccccc3n12 1392369 DGXUTGJVOGUBHW-UHFFFAOYSA-N 332.260 4.102 0 40 EIAB CCOC(=O)c1oc2ccccc2c1CNc1ccc(C(C)=O)cc1 1441231 KXMVXZGLVITBEK-UHFFFAOYSA-N 337.375 4.424 0 40 EIAB CCCc1ccc(OC(=O)CCCOc2ccc(OC)cc2)cc1 1904097 PJFRNWBPNXCWLU-UHFFFAOYSA-N 328.408 4.412 0 40 EIAB Cc1ccc(C)c(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)c1 2405582 OQRXKRMMWLSSLK-INIZCTEOSA-N 326.421 4.250 0 40 EIAB Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1 2644621 VWKRHGLWXCBWCU-UHFFFAOYSA-N 340.404 4.355 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 3217121 YSUMLZAQFUHZRK-CQSZACIVSA-N 343.398 4.064 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1 3236169 XIUISTOCRLGXEP-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB C[C@H](COC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1)CN1CCCC1 4410998 LOROOXLFVZBGQW-SESVDKBCSA-N 341.495 4.402 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 5032718 TYFTXBQIOATVIE-UHFFFAOYSA-N 335.359 4.314 0 40 EIAB C=C=Cn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 5234776 PWNZKZTUJHCRPY-KRWDZBQOSA-N 343.430 4.429 0 40 EIAB Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(Cl)c2)n1 5561195 CNDQWEYZDHHWCC-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1F 7448867 VFEHEUOSPPASAP-UHFFFAOYSA-N 340.442 4.050 0 40 EIAB CCCNc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 7793622 CYVHDCMLDVZFFR-JTQLQIEISA-N 346.481 4.205 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(F)c(F)c1 8395783 JAVQHCTVUODPHB-UHFFFAOYSA-N 327.330 4.381 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)NCc2ccco2)n(C2CCCC2)c1C 8424621 OAIPCVGYANHCQF-AWEZNQCLSA-N 347.484 4.005 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 8558639 UVJZQELPOCITFV-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3cccs3)cc12 10219328 XSIZQRHKATWEHA-UHFFFAOYSA-N 333.482 4.054 0 40 EIAB O=C(NCCc1nc2ccccc2[nH]1)Nc1cccc2ccccc12 11007968 AFFXXESDGSNIMG-UHFFFAOYSA-N 330.391 4.080 0 40 EIAB Cc1c(C(=O)N2CCCOC23CCCCC3)oc2ccc(F)cc12 12323332 ONHJJXVRUHDOCM-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB CSCC[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 12602091 RZBMQFCJJHVIST-MRXNPFEDSA-N 340.452 4.179 0 40 EIAB Cc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1C 12905354 ZDVRGHVKYPKUJK-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB O=C(NCCc1ccco1)c1cc(-c2ccco2)nc2ccccc12 14180226 FYUMIIIVAMBQOA-UHFFFAOYSA-N 332.359 4.060 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 14796186 ASRYLFIZBUFLCF-GFCCVEGCSA-N 330.815 4.121 0 40 EIAB CCc1ccccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 15192319 SFCWUEVXENLSPM-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB Cc1ccccc1-c1nn(CN2CCc3ccccc3C2)c(=S)o1 16075135 NFSAPVIEALRLFZ-UHFFFAOYSA-N 337.448 4.197 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20141579 JOIYUAIGYCLJBD-UHFFFAOYSA-N 333.771 4.078 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 22520125 QXIRFHFPEXYFOR-UHFFFAOYSA-N 336.435 4.185 0 40 EIAB COc1ncccc1CNc1ncnc2scc(-c3ccccc3)c12 23079808 GOZODIDRLROBJT-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)C3CCOCC3)n2)c1C 24644747 RVHBHPYPKAZSDD-UHFFFAOYSA-N 347.484 4.004 0 40 EIAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1 30116435 YOJGMPOQRVDTGB-GFCCVEGCSA-N 336.357 4.262 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C 30758882 KVUZHXRQUUALSP-CQSZACIVSA-N 329.893 4.145 0 40 EIAB CN1CCC(NCC[C@](C)(Cc2ccccc2)c2ccccc2)CC1 31807734 YJFGBFWRWATYMM-HSZRJFAPSA-N 336.523 4.261 0 40 EIAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ncc(C)s2)cc1 32905427 HAUFXYZFJRNADE-UHFFFAOYSA-N 336.416 4.243 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c(C)c1 33048007 RPHRHKBCYYWXHS-UHFFFAOYSA-N 344.354 4.398 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1Cc1csc(-c2ncccn2)n1 40153680 ZRAPWCIKICLUMA-KRWDZBQOSA-N 336.464 4.246 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1cccc(OC3CCCC3)c1)SCC(O)=N2 44893180 KALHOMABPLBVOZ-QGZVFWFLSA-N 343.452 4.464 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2cc3cc(Br)ccc3[nH]2)o1 48300328 IZWITXKKSPRDIE-SNVBAGLBSA-N 347.212 4.323 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)SCC(O)=N2 49550423 RVLVVDANRRGFKD-CYBMUJFWSA-N 341.358 4.172 0 40 EIAB COc1ccc(C2(NCc3cnc(-c4ccccc4C)nc3)CC2)cc1 57823127 ZOGFNSKEPJACBK-UHFFFAOYSA-N 345.446 4.240 0 40 EIAB Cc1cccc(C[S@](=O)Cc2coc(-c3ccc(F)cc3)n2)c1 58161543 SNEKJEPKXGAIOT-HSZRJFAPSA-N 329.396 4.238 0 40 EIAB Cc1nccn1[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 69849533 PMVKSOOGBZXNIM-HNNXBMFYSA-N 343.427 4.023 0 40 EIAB COCCn1ccc2c(NC(=O)c3cc4ccccc4n3C)cccc21 70666582 MNSARMVYVSNBLE-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2cnn(C)c2)S1 71284650 NNQSHEPMIUZNIM-HNNXBMFYSA-N 345.472 4.104 0 40 EIAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccnc1 72230021 RNEHYBJHBKKQTA-SFHVURJKSA-N 338.794 4.069 0 40 EIAB O=C(C[C@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 72287469 PYHNWDDJDPDFKH-GDBMZVCRSA-N 342.464 4.153 0 40 EIAB Cc1sc2c([C@H]3CCCN(Cc4ccncc4)C3)nc(C)n2c1C 72351264 LXFSKTLRTUXYRA-KRWDZBQOSA-N 340.496 4.096 0 40 EIAB COc1cccc(NC(=O)N(CCc2cccs2)C2CC2)c1OC 75154836 ZVEKKPIAOZLYMY-UHFFFAOYSA-N 346.452 4.004 0 40 EIAB Cc1cccc(OCCn2c(CN3CCCC3)nc3ccccc32)c1 76555512 HFDOGRQFKFWSDP-UHFFFAOYSA-N 335.451 4.020 0 40 EIAB C[C@@H](N(C)C(=O)CCCc1ncc(-c2ccccc2)o1)C1(C)CC1 79053871 JLQPNBYAZZHAMP-OAHLLOKOSA-N 326.440 4.311 0 40 EIAB CC(C)n1cc(CCCC(=O)NCc2cccn2C)c2ccccc21 79464283 VXYAHCRWQTVZTP-UHFFFAOYSA-N 337.467 4.200 0 40 EIAB FC(F)n1ccnc1CSCc1cc(-c2cccs2)on1 83632048 SWBZDJSFGUJGAC-UHFFFAOYSA-N 327.381 4.428 0 40 EIAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)/C=C/c1cc2ccccc2o1 84637040 VCDAQUJHYPTKKJ-BOACDIQBSA-N 335.403 4.074 0 40 EIAB O=C(Nc1ccc(Br)c(F)c1)c1ccccc1Cl 84847446 AIJQIMNTTLIRJI-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB COc1ccc(F)cc1C[S@@](=O)[C@@H](C)c1ncc(C(C)(C)C)o1 85224251 XGYKIVKLRMDUPD-RULNZOCKSA-N 339.432 4.130 0 40 EIAB O=C(Nc1ccc(SC(F)F)cc1)c1cc2c(s1)CCOC2 96403900 PBYWMQHIFKSTAA-UHFFFAOYSA-N 341.404 4.388 0 40 EIAB C[C@H](NC(=O)NCc1nccs1)c1cccc(Cl)c1Cl 96410464 VXZDKWYCGSNRRU-QMMMGPOBSA-N 330.240 4.010 0 40 EIAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(-n2cccc2)ccc1Cl 101623073 NFXSKTFPTFBFTD-SOUVJXGZSA-N 326.827 4.073 0 40 EIAB C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102132999 GLEPXNKRPNZLGY-ASHKBJFXSA-N 340.439 4.399 0 40 EIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@@H]1[C@@H]2C 105366075 ABFSDSQOZYJGJO-XOZDYOFUSA-N 347.455 4.320 0 40 EIAB biogenic C[C@@H](NC1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1 152466893 FKRRQIJGAKBZKD-OAHLLOKOSA-N 329.875 4.050 0 40 EIAB Cc1ccccc1C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 207964168 FZMCFSVKSCFWAK-KRWDZBQOSA-N 343.473 4.130 0 40 EIAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccccc1F 216829535 UHIBNZYYKQEBNH-UHFFFAOYSA-N 338.762 4.243 0 40 EIAB CCCOc1ccc(C(=O)NCCCc2ccccc2OCC)cc1 218981779 NBWBLDXNAVPHMZ-UHFFFAOYSA-N 341.451 4.237 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1ccccc1OC(C)C 219739781 BRABBDCDJHOCAE-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580211 UFBTUTCUWJTLMO-DOPJRALCSA-N 339.464 4.070 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222948215 DLZBUYWBOWIHSG-GJZGRUSLSA-N 341.426 4.349 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3cccc(C)c3C)c(C)n2)cc1 223139562 WZLYSHQCHVYXHZ-UHFFFAOYSA-N 347.418 4.330 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Cl)c1 223169781 PKIAEFPPNQJZEM-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1C 224925959 GMKRWFNPLVJIPB-OAQYLSRUSA-N 337.463 4.348 0 40 EIAB COCc1cccc(NC(=O)CCCc2nc3cc(C)ccc3o2)c1 224950496 KCRVLRAFKWRYEU-UHFFFAOYSA-N 338.407 4.244 0 40 EIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(C)c(C)c1 225785198 LYIVJJXCNPJTAY-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2N)cc1Cl 226349875 OCXJEQLOZUFXBI-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(F)cc3)N21 260784096 UTUDEFWKRHLGRB-OIISXLGYSA-N 327.428 4.200 0 40 EIAB Cc1ccccc1NC(=O)N1[C@H]2CC[C@H]1[C@H](N(C)Cc1ccccc1)C2 306140229 UNLKIEIUMIHLNC-SESVDKBCSA-N 349.478 4.264 0 40 EIAB Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@@H]2CCCN2)n1 585262865 BGNHTUCHSFWGJO-AWEZNQCLSA-N 337.452 4.077 0 40 EIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)Cc1ccccc1 569044 WFWCIZYTHHQENO-AWEZNQCLSA-N 326.465 4.256 0 40 EIAB CCCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 1347499 NAXUSGOEUGSLAZ-IBGZPJMESA-N 347.418 4.278 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1 1904139 ZYBUOYSRSPMIAR-UXBLZVDNSA-N 346.224 4.418 0 40 EIAB Cc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1C 2361232 PKLQROZXWMEZBB-UHFFFAOYSA-N 332.367 4.117 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)c1C 3008298 GBFTWCMOUOSIAW-UHFFFAOYSA-N 329.469 4.221 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 4817289 VPRPANWSSJGICN-KURKYZTESA-N 336.479 4.418 0 40 EIAB CCc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)cc1 4856998 OQWMVLGSTAKVIJ-JLYLLQBASA-N 343.540 4.083 0 40 EIAB COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 6067050 GMXMKSFJQLFOSO-JARDSOJUSA-N 344.407 4.200 0 40 EIAB endogenous,in-man CCOC(CNc1ncnc2sc(-c3ccccc3)cc12)OCC 6602704 GTPSTUXMKBXSPX-UHFFFAOYSA-N 343.452 4.169 0 40 EIAB CCc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)cc1 6820415 JTTZIUKTHFTASB-CQSZACIVSA-N 337.448 4.193 0 40 EIAB O=C(Cc1ccccc1F)NCC(c1ccccc1)c1ccccc1 7798705 CBYSOYFZEHEIKT-UHFFFAOYSA-N 333.406 4.317 0 40 EIAB Cc1nc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 8110046 DSTYUXXRYBINEL-UHFFFAOYSA-N 344.436 4.235 0 40 EIAB Cc1nc(S[C@H](C)C(=O)NCc2ccco2)n(C2CCCC2)c1C 8424625 OAIPCVGYANHCQF-CQSZACIVSA-N 347.484 4.005 0 40 EIAB C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8535062 YUJYJMOZWOFBAR-GFCCVEGCSA-N 340.250 4.043 0 40 EIAB Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)no1 8714184 ZTYQRHUYFYBERA-UHFFFAOYSA-N 340.766 4.120 0 40 EIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 8748111 VAGKXJVCZCFOAO-MRXNPFEDSA-N 342.508 4.484 0 40 EIAB O=C(c1ccccc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8869400 NCYWSVWFSOLDTQ-GOSISDBHSA-N 329.827 4.161 0 40 EIAB COc1ccc2ccc(O[C@H](C)C(=O)NC3CCCCCC3)cc2c1 8883120 PMEFISHCTRZLNQ-OAHLLOKOSA-N 341.451 4.455 0 40 EIAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3)ccc21 9137574 MGRNKHSNMXBYHF-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o2)n1 9305253 IKBWSAAVBLXGQE-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB Cc1cc(NC(=O)c2ccc3ncsc3c2)ccc1N1CCCC1 9468410 NOWJUMBZHYRIPP-UHFFFAOYSA-N 337.448 4.457 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCc2ccccc21 9732876 HPLKRFBQNFXHMJ-SFHVURJKSA-N 332.403 4.078 0 40 EIAB O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116070 DCRGOZKHGOMZJU-IBGZPJMESA-N 342.402 4.088 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1F 12388847 DPMJRNDWQZUXDL-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12560046 LQCJCFMHYGWQHJ-MRXNPFEDSA-N 325.799 4.194 0 40 EIAB Cc1cnc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)s1 14111928 XROPLSGPTVGVHF-YOGCLGLASA-N 340.539 4.003 0 40 EIAB CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)C1 18232279 CZUVXIHKCHXZDC-QGZVFWFLSA-N 349.261 4.122 0 40 EIAB c1csc(CNc2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)c1 19343767 ACMBUZZIEUVRPD-MRXNPFEDSA-N 338.436 4.064 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 20460515 MAAGHRAFQFUHIQ-IBGZPJMESA-N 347.480 4.151 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2ccccc2[nH]1 22066573 AUMMVKBSUPQTDQ-LBPRGKRZSA-N 343.427 4.014 0 40 EIAB COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(C)c(C)c3)no2)c1 23126975 OHQLHKIDFYTGSC-UHFFFAOYSA-N 346.390 4.419 0 40 EIAB O=C(CCCOc1ccccc1)Nc1nnc(-c2ccccc2)s1 25735814 JAGTWRNHPMKWSB-UHFFFAOYSA-N 339.420 4.003 0 40 EIAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NCC4CCC4)cc3)o2)c1 26143812 QVYJDQJQURYUIJ-UHFFFAOYSA-N 347.418 4.242 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)on1 26363515 KMKDPDMWRLNUIZ-UHFFFAOYSA-N 338.392 4.149 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Cl)cc1 27580620 CGTSTEFHIIJTKD-MRXNPFEDSA-N 348.899 4.359 0 40 EIAB Cc1ccc(C)c(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 27920575 WFCRQQVWLSZAOU-UHFFFAOYSA-N 338.386 4.331 0 40 EIAB CN1CCC(NCC[C@](C)(c2ccccc2)c2cccs2)CC1 31808703 ARUHXPBBCKUSRX-HXUWFJFHSA-N 328.525 4.128 0 40 EIAB Fc1cccc(OCCSc2nnc3sc4ccccc4n23)c1 32324207 LDBOGFYZPQQACT-UHFFFAOYSA-N 345.424 4.254 0 40 EIAB CC(=O)Nc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 32398344 SESLVTZTZGRDRZ-GOSISDBHSA-N 342.464 4.368 0 40 EIAB O=C(c1cc2ccccc2o1)N(Cc1cccnc1)Cc1ccco1 32906964 GLNOMGYNTMWHSP-UHFFFAOYSA-N 332.359 4.263 0 40 EIAB CC1CCC(NC(=O)c2cccnc2SCC(F)(F)F)CC1 32907899 OOMLGGXFARDCQQ-UHFFFAOYSA-N 332.391 4.045 0 40 EIAB Fc1ccc(-n2c(SCc3ccncc3)nc3cccnc32)cc1 35289335 YFPXKLPMLGMBHO-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB Cc1cc(OCC(=O)NCc2ccc(OC(C)C)cc2)ccc1Cl 36559397 UYLHQOVYRGXCEG-UHFFFAOYSA-N 347.842 4.131 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCC2CCCC2)c1 40007744 IYIPECXNGOGYTM-SFHVURJKSA-N 331.456 4.338 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1Cl 41095276 UITJMFZGQSNVTB-CABZTGNLSA-N 336.284 4.159 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 44877178 QXRSMEXAGMHOIU-GOSISDBHSA-N 336.479 4.157 0 40 EIAB COc1ccccc1Oc1ccc(NC(=O)NCc2ccoc2)cc1 47824959 HMNMEAMHPJWDRZ-UHFFFAOYSA-N 338.363 4.402 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 56173580 RWXGNRFNPNBQHG-UHFFFAOYSA-N 348.805 4.260 0 40 EIAB CCCC[C@@H](CC)N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 59377755 FBZPJUVAFSWZLB-XMSQKQJNSA-N 337.463 4.499 0 40 EIAB Cc1cccc2c1N[C@@H](c1csc(-c3ccsc3)n1)NC2=O 67963504 JXDSVBJRHKGUMK-CQSZACIVSA-N 327.434 4.034 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2c1OCCO2 71818462 BUTXUQPNDHAXGM-UHFFFAOYSA-N 345.398 4.306 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H]1c1ccc[nH]1 71824115 XHMSDQFEUCHEAY-OXJNMPFZSA-N 338.451 4.197 0 40 EIAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72214873 GAOZPRPCRNBWMK-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCCC1)C1CCC1 72215513 QZIAREAEOZGSEN-UHFFFAOYSA-N 329.444 4.349 0 40 EIAB CC(=O)N1CCC(N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 90974827 CKQMVKKGXCNQEV-HNNXBMFYSA-N 340.442 4.154 0 40 EIAB Cc1cc(C(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)n(C)n1 95369460 FDYVRJYOHPPATH-OAHLLOKOSA-N 333.435 4.248 0 40 EIAB Cc1noc(C)c1[C@H](C)NC1CCN(Cc2ccc(Cl)cc2)CC1 95422421 AEJNKCJFWCLTHF-ZDUSSCGKSA-N 347.890 4.260 0 40 EIAB O=C(c1ccccc1Sc1ccccc1)N1CCc2cnccc21 96008880 AHATXVRRQNARQA-UHFFFAOYSA-N 332.428 4.436 0 40 EIAB Cc1nccn1Cc1ccc(NCc2cccc3cccnc23)cc1 96482867 ZKPMICKMBIDZRN-UHFFFAOYSA-N 328.419 4.400 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O 100190188 MVBLPGQDJVQIJW-IAGOWNOFSA-N 339.357 4.429 0 40 EIAB CN1N(C)C12CC[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@@]1(C)[C@H]3CC[C@]1(C)O)C2 118919245 SXXLVVHRVNMRJU-MXDSJYHWSA-N 346.559 4.269 0 40 EIAB O=C1NCCCN1c1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 129572193 XZNTZBIJSPDRLO-QWHCGFSZSA-N 341.377 4.139 0 40 EIAB CCCCC[C@H](O)/C=C\[C@H]1CC[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 205204753 YRFLKMLJQWGIIZ-YKYAYOKQSA-N 338.488 4.072 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 224067368 FSDLDAKWNOJROP-UHFFFAOYSA-N 326.327 4.132 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1 225552235 AXVMNYPTENFOBC-SFHVURJKSA-N 337.463 4.391 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 225594199 RGRURVQGRWFQHU-CQSZACIVSA-N 349.471 4.471 0 40 EIAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccccc1Cl 408533908 SXMCJHYFDDCXLH-ZHACJKMWSA-N 335.794 4.449 0 40 EIAB O=C(O)[C@@H]1CN[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 408979479 QZHKKSSRRKMXLP-STQMWFEESA-N 344.219 4.042 0 40 EIAB Cc1ccc(N2C(=O)S/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 409130758 URNAQUNNICZJAI-YBEGLDIGSA-N 326.421 4.191 0 40 EIAB O=C(c1ccccc1OC(F)(F)C(F)F)C(Cl)(Cl)Cl 575360567 JBOVYCKFOLQXPY-UHFFFAOYSA-N 339.499 4.476 0 40 EIAB O=Cc1nc(Br)c(-c2cccc(-c3ccccc3)c2)[nH]1 1857794865 OHASRAURFYGUFB-UHFFFAOYSA-N 327.181 4.319 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1ccccc1Br 42158 KGTIOTDVIMOMGV-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB O=C(Nc1nccs1)[C@H]1CC2c3ccccc3C1c1ccccc12 51060 WEUPVNXYXSAVCD-ADKAHSJRSA-N 332.428 4.379 0 40 EIAB CCN(CC)C(=O)C[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1 520579 KAOXPSMRKDCCFS-TZIWHRDSSA-N 347.499 4.027 0 40 EIAB Cc1ccn2c(NC[C@H]3CCCO3)c(-c3ccccc3F)nc2c1 883980 BXGHXNWPEFYDTL-CQSZACIVSA-N 325.387 4.040 0 40 EIAB Cc1ccc(S(=O)(=O)Cc2cc(-c3ccc(Cl)cc3)no2)cc1 1392436 IRCDXKXITALMPY-UHFFFAOYSA-N 347.823 4.277 0 40 EIAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1960581 HOGHCAWVUVQROF-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1F 2623807 LAYNPZQIBQWOOO-UHFFFAOYSA-N 332.281 4.320 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)n1 2654336 MOSBQDATGROHTM-UHFFFAOYSA-N 345.324 4.159 0 40 EIAB Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1Cl 3323367 LAXZDKZRHJNQSX-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB O=C(COc1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3526061 NYLMZJJRTNVOAI-JOCHJYFZSA-N 346.382 4.233 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4028178 DYBNZLJIMZQRMD-AWEZNQCLSA-N 348.398 4.240 0 40 EIAB biogenic O=C(CCC1CCCC1)Nc1cccc(-c2cn3cccnc3n2)c1 4033001 HMEMYQGDNHBQMR-UHFFFAOYSA-N 334.423 4.305 0 40 EIAB Cc1ccc2nc([C@H](NC(=O)c3ccc(F)cc3)C(C)C)[nH]c2c1 5626081 GKTZGFZFUFKXLJ-QGZVFWFLSA-N 325.387 4.138 0 40 EIAB CC(C)n1nccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5870237 GACNZOUIPUBLRY-SNVBAGLBSA-N 342.226 4.177 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 6264440 PWGNYZVXYOCOIS-UHFFFAOYSA-N 347.798 4.469 0 40 EIAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 6314732 GAHCZKPDOIKERW-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1ccc(Br)s1 6543251 ORCMIACGEYIFLK-UHFFFAOYSA-N 330.634 4.094 0 40 EIAB Cc1cc(C)c(NC(=O)CSCc2c(C)noc2C)c(Cl)c1 6785029 YXQZPTDTPSSGJY-UHFFFAOYSA-N 338.860 4.434 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)c(C)c2)n1 6810465 ZXYMBWBIEPDCKT-UHFFFAOYSA-N 343.235 4.423 0 40 EIAB CSc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 6947606 XTMPSWWGRYANGG-MRXNPFEDSA-N 343.448 4.219 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3ccccc3o2)c1C 7548946 BRPJKTSCVSGBCN-LBPRGKRZSA-N 342.420 4.339 0 40 EIAB Cn1c(-c2ccccc2)c(CNCCCn2ccnc2)c2ccccc21 8775641 CVNJBJZLKZOEGE-UHFFFAOYSA-N 344.462 4.222 0 40 EIAB CSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1 9337542 UQLGCIWABUYIJO-UHFFFAOYSA-N 341.461 4.031 0 40 EIAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C(C)C)n[nH]3)o2)cc1 9387765 DVMIAAQTAMKOSI-LLVKDONJSA-N 329.429 4.140 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(Cl)cc2)c1 10442745 DEOMGSOHJJKMIC-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1cc(Cl)ccc1F 12597941 UQLTUTKVUJBIDI-UHFFFAOYSA-N 330.790 4.254 0 40 EIAB CCOc1cccc2cc([C@@H](C)NC(=O)Cc3ccsc3)oc12 14022328 KOUNIXMBVUPOEP-GFCCVEGCSA-N 329.421 4.313 0 40 EIAB CN(CCOc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 14701190 HAHBXBRGMMYJPY-UHFFFAOYSA-N 336.435 4.028 0 40 EIAB Cc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3)n2)cc1C 15829373 CSEHJZSMHCQHGH-UHFFFAOYSA-N 349.459 4.491 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 20111488 FKCAIQDFVGBQIT-GFCCVEGCSA-N 338.234 4.386 0 40 EIAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)o1 20495968 MQURKBOXNAWITI-UHFFFAOYSA-N 337.379 4.121 0 40 EIAB O=C(NCC[C@@H]1CCCO1)c1cc(-c2ccccc2)nc2ccccc12 23876072 SVTXYBZKMRXNAK-KRWDZBQOSA-N 346.430 4.201 0 40 EIAB Cc1cc(C(=O)CSc2ncc3ccccn23)c(C)n1C1CC1 24500812 XJCOOZZLWOQLKW-UHFFFAOYSA-N 325.437 4.063 0 40 EIAB Cc1ccccc1C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 24924982 YCHKTQHHYSQNAB-UHFFFAOYSA-N 348.378 4.271 0 40 EIAB C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)[C@H]1CCCO1 27877907 VPTJOAYURRILNO-BXUZGUMPSA-N 335.856 4.366 0 40 EIAB O=C(NCc1cn2ccccc2n1)c1sc2ccccc2c1Cl 28833820 DQGXGYJYLRYHPA-UHFFFAOYSA-N 341.823 4.132 0 40 EIAB O=C(c1cn[nH]c1-c1ccccc1)N1CC=C(c2ccccc2)CC1 30996818 OGPYOVIGXCMHKN-UHFFFAOYSA-N 329.403 4.006 0 40 EIAB CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(Oc2ccccc2)cc1 32960827 USEVFGBXFDSJRU-NVXWUHKLSA-N 325.408 4.118 0 40 EIAB OCc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 34772874 HNVQCXJFMQUZKY-UHFFFAOYSA-N 345.595 4.313 0 40 EIAB Nc1nc2c(s1)[C@H](c1cccc(OC3CCCC3)c1)CC(O)=N2 36352911 VSLCEGDXQAKEIF-ZDUSSCGKSA-N 329.425 4.170 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1 36620523 ZYUPLTORWWRSRM-LJQANCHMSA-N 347.455 4.475 0 40 EIAB Cc1ccc(OCc2nnc(S)n2-c2cccc(C)c2C)cc1 36729332 GLNCTZHROANZQW-UHFFFAOYSA-N 325.437 4.060 0 40 EIAB COCc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1 36761106 MGWSZPLRRBXWGU-UHFFFAOYSA-N 334.375 4.273 0 40 EIAB CCOC(=O)c1cnc2c(C)ccc(Br)c2c1Cl 37368596 USJCVDKUEBMPHX-UHFFFAOYSA-N 328.593 4.136 0 40 EIAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1C(F)(F)F 38717001 AECXBUMTCDAUHB-UHFFFAOYSA-N 331.297 4.348 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1 44850339 VQNPFWVQGFSECQ-UHFFFAOYSA-N 325.408 4.133 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 48065935 SOKQEOUJCPWSNJ-GOFCXVBSSA-N 338.407 4.146 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2ccnn2Cc2cccs2)s1 60594701 WICPLHGDCGMXBQ-VOTSOKGWSA-N 329.450 4.015 0 40 EIAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccco1 65563682 NIXZZUXLBSICJW-WOJBJXKFSA-N 346.430 4.316 0 40 EIAB COc1ccccc1-c1noc(CN[C@H](C)c2ccc(Cl)cc2)n1 69563156 BTRDRSVZQFNKGK-GFCCVEGCSA-N 343.814 4.249 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 69757205 HKJCRAYSFAWBKF-OAHLLOKOSA-N 347.462 4.370 0 40 EIAB Cc1cc(N)nc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 70040682 SRKLRTVMKCCPQD-SFHVURJKSA-N 335.432 4.084 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nnc(-c3ccsc3)s2)C1(C)C 71819368 POMGHBJNEGKGJF-VXGBXAGGSA-N 333.482 4.444 0 40 EIAB CC(C)c1nc([C@H]2CCCN2CCCc2nc3ccccc3o2)no1 72279400 NLLOAVDFVRDGIT-OAHLLOKOSA-N 340.427 4.104 0 40 EIAB Cc1cc(-c2sc(NC(=O)C(C)C)nc2-c2cccs2)on1 72342648 FXRFWZVQDFWGQY-UHFFFAOYSA-N 333.438 4.430 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)N[C@H](CCO)c1ccccc1 77660021 VWILNDQKYMODAI-QGZVFWFLSA-N 326.440 4.229 0 40 EIAB CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 84597190 XELYCLQJAVBNSR-KRWDZBQOSA-N 341.459 4.013 0 40 EIAB C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)C1CCOCC1 95439608 LGWROPMENODEJZ-VGOFRKELSA-N 349.474 4.375 0 40 EIAB CCCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 96471188 AGRZHGFGIRNRTP-OAHLLOKOSA-N 346.406 4.097 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 104816254 MZRMXSYFSJMQFA-DFEOGRTESA-N 327.468 4.207 0 40 EIAB CCCCCC[C@H](C)NC(=O)CCC(=O)NCCC1=CCCCC1 199428331 VEIDKCFCXMTRCB-KRWDZBQOSA-N 336.520 4.248 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CCSCc2ccccc2)c1 218993640 WVKKZTWVXHZXBZ-UHFFFAOYSA-N 343.492 4.414 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(C2CC2)nc1 222596596 RWZCAZFJLUPZSB-UHFFFAOYSA-N 341.720 4.279 0 40 EIAB COc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)cc1C 224962365 GYIIGJASWZVGNF-UHFFFAOYSA-N 349.883 4.108 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2)cc1Cl 225279971 AMBKIWBFOVNIKW-UHFFFAOYSA-N 348.855 4.003 0 40 EIAB COc1cc(C)c(C(=O)NCCCN2CCCCCC2)cc1C(C)C 225661477 AMHMVCAPHIIENJ-UHFFFAOYSA-N 346.515 4.123 0 40 EIAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccccc1 225827645 SWXICXIWGDVJHX-UHFFFAOYSA-N 343.386 4.461 0 40 EIAB CCc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)s1 390830678 MQEPFIRGWKQWHV-UHFFFAOYSA-N 347.461 4.049 0 40 EIAB O=C(c1ccc(Br)c(OC(F)(F)F)c1)C(F)(F)F 604221494 BBDGTAWSIWQVGG-UHFFFAOYSA-N 337.013 4.093 0 40 EIAB CC(C)(C)OC(=O)NCCCOc1ccc(-c2ccccn2)cc1 1775974696 ZOKWTSKUVOJIGR-UHFFFAOYSA-N 328.412 4.042 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1OCC 147447 UMTDTROYRYYXIF-ZRDIBKRKSA-N 329.371 4.275 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 183498 NWKSDDFZNYNLTQ-LJQANCHMSA-N 334.350 4.302 0 40 EIAB Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1 540728 JSEHQJJIJOMWNN-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB Cc1ccccc1OP(=O)(Oc1ccccc1C)N1CCOCC1 1597226 RVYFKHBCERDLRT-UHFFFAOYSA-N 347.351 4.202 0 40 EIAB CCOP(=O)(Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2)OCC 1674713 PTPBECGSPXWTBF-KRWDZBQOSA-N 333.324 4.342 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1 1886754 ZKSBETREJAPERR-UHFFFAOYSA-N 340.206 4.497 0 40 EIAB CCCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 2401945 GNLNGWSFTBOBOU-UHFFFAOYSA-N 332.407 4.455 0 40 EIAB c1ccc([C@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786333 XOPZBOGDGAAQJL-KGLIPLIRSA-N 332.432 4.099 0 40 EIAB CCOc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@@H]3C)c(C)c2c1 3451660 QJCLXHCIIUAAAM-STQMWFEESA-N 330.428 4.048 0 40 EIAB COc1ccc(CCC(=O)Nc2ccccc2C(C)C)cc1OC 3561178 MVXPCYUKQVSDRS-UHFFFAOYSA-N 327.424 4.399 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 5013736 NFRAVRBXSCTJBM-UHFFFAOYSA-N 335.359 4.314 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 5628898 BCRLLYGESUBULV-SYQHCUMBSA-N 332.469 4.249 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)Cn1cc(C=O)c2ccccc21 6255590 ZEECYCAJBBQAHJ-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB C[C@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2cccs2)o1 6843364 BMGTZVKBBPXKKC-QMMMGPOBSA-N 346.393 4.294 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)o1 7289458 NLFFYBVTSCQGRI-JTQLQIEISA-N 327.409 4.100 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1 7468443 MLZVSMKXTAIJKJ-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB O=C(COC(=O)c1cccc2ccccc12)c1cc(F)ccc1F 7604052 BCWDWPDBHPNPAE-UHFFFAOYSA-N 326.298 4.158 0 40 EIAB Cc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 9836364 ZCISSXDHYAZOPP-UHFFFAOYSA-N 337.448 4.350 0 40 EIAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2ccccn2)cc1 9967670 XNURJDOSTGEKBO-OAHLLOKOSA-N 328.481 4.250 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccc2c1CCC2=O 11100675 LDCMPWCFZSFXQM-LBPRGKRZSA-N 343.810 4.183 0 40 EIAB Cc1cc(-c2cnc(NCCc3ccccc3)nc2-c2ccco2)on1 12184264 MOAQSYGCYONUEJ-UHFFFAOYSA-N 346.390 4.355 0 40 EIAB CCOc1ccc2nc3c(cc2c1)CN(CCc1ccccc1)C(=O)O3 12222205 XPSPGFQAGLKWNA-UHFFFAOYSA-N 348.402 4.191 0 40 EIAB COc1ccc2cc(CNc3cc(Cl)ccc3C)c(=O)[nH]c2c1 12493332 OHKFEESLULVYNI-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB O=c1cnc2ccccc2n1Cc1ccccc1Oc1ccccc1 12794313 JQRHEUNVYMGHAK-UHFFFAOYSA-N 328.371 4.237 0 40 EIAB O=C(CSc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 12947594 SFCTXJKVULUHPS-AWEZNQCLSA-N 340.473 4.192 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccccc2C)CC3=O)cc1 14164255 HERZHUJDHYINCL-INIZCTEOSA-N 346.430 4.410 0 40 EIAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1 14847960 YCIKORFDQLBDNE-UHFFFAOYSA-N 327.387 4.207 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1 15309299 YXSFDNTYXPBSRK-HNNXBMFYSA-N 342.414 4.222 0 40 EIAB CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)cc1 15831506 LIRCLKQCUHTKNQ-HXUWFJFHSA-N 342.527 4.465 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)c1cccc(Br)c1 15997558 WPYJEGNAOPCWIA-UHFFFAOYSA-N 348.244 4.403 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cl 20104747 UJKHNDKBHCGJFO-OAHLLOKOSA-N 338.234 4.467 0 40 EIAB Cc1ccc(OCc2ccc(-n3cccn3)cc2)c2c1[C@H](C)CC2=O 21657257 SKGQDKYVBALWNA-OAHLLOKOSA-N 332.403 4.450 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)Sc1ccc(C)cc1 22527733 LEMCXOIYSWPIRV-HNNXBMFYSA-N 329.465 4.191 0 40 EIAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 23115712 KTPRHHIZLDSJIG-QGZVFWFLSA-N 348.446 4.083 0 40 EIAB COc1ccc([C@@H](CNC(=O)C(C)C)c2c[nH]c3ccccc23)cc1 23573123 MNNWQVZQAQNJCE-GOSISDBHSA-N 336.435 4.081 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cccs1 27662528 GJQBEWANIDLFDQ-AWEZNQCLSA-N 334.510 4.157 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220962 UOLZQYUFLNWUFH-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB CC(C)C(NC(=O)c1ccc(CN2CCCCCC2)cc1)C(C)C 38849200 MECNSHOTUUDPDM-UHFFFAOYSA-N 330.516 4.473 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)NC2CCCCCCC2)CC1 39748216 JVTFKDVZHBFCFR-UHFFFAOYSA-N 342.527 4.436 0 40 EIAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@@H]2CCCC[C@H]21 40024729 LUKUJHHRMFCBIW-QFBILLFUSA-N 349.478 4.156 0 40 EIAB COc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44837974 UKXNWRPMDSKZSN-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(Cl)s1 44970066 DFQGXXDSNHSDMG-DGCLKSJQSA-N 335.860 4.404 0 40 EIAB CCN(CCC(F)(F)F)C(=O)c1cc(-c2cccc(Cl)c2)on1 58177902 XWKZWVBQDDRDIA-UHFFFAOYSA-N 346.736 4.410 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(-c2ccco2)on1 58334291 JEUVHAWPSKGJDZ-CQSZACIVSA-N 340.379 4.280 0 40 EIAB O=c1c2sc(-c3ccccc3)cc2ncn1Cc1ccc(F)cc1 58367935 DPLRBLGKNLNZGY-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CCCn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 59094201 KDTAUDWEAZRNMG-UHFFFAOYSA-N 328.412 4.238 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccccc1Cl 63790262 JCOUVXFJTMRARB-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H]1C 68592993 XQHWJVYZQCZBNX-YFHUEUNASA-N 332.488 4.056 0 40 EIAB c1ccc(Cc2nc(CN(Cc3ccco3)C3CCCC3)no2)cc1 69220699 WQKUVYIZDRSGMY-UHFFFAOYSA-N 337.423 4.198 0 40 EIAB O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1cccc(F)c1 69433176 BNZKSDIJVAGKNQ-UHFFFAOYSA-N 329.375 4.061 0 40 EIAB CCN(CC)C(=O)C1CCN([C@H](C)c2cccc3ccccc23)CC1 69680274 XAHFJJHOTJMJOB-QGZVFWFLSA-N 338.495 4.481 0 40 EIAB CCSc1ccccc1NC(=O)N1CCC(NC2CCCC2)CC1 69968317 VJWLCDODSVSEEQ-UHFFFAOYSA-N 347.528 4.327 0 40 EIAB CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2F)c1 71902610 MQQRXZKTGCRDIP-VXGBXAGGSA-N 334.366 4.111 0 40 EIAB CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215427 MULAJGLWUTVKFQ-INIZCTEOSA-N 331.460 4.142 0 40 EIAB FC(F)(F)CNC1=NN=C(c2ccccc2)[C@H](c2ccccc2)S1 84525290 RDNFICAJQOCLJD-HNNXBMFYSA-N 349.381 4.387 0 40 EIAB C[C@H](c1nnc(C(F)(F)F)o1)N(C)Cc1cccc2ccccc12 89913780 DTQKCESGBUCKHS-LLVKDONJSA-N 335.329 4.435 0 40 EIAB C[S@](=O)Cc1ccc(Cl)c(NCc2ccccc2Cl)c1 95398168 KULNQLNKXHWQCK-HXUWFJFHSA-N 328.264 4.484 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1ccccc1 96222760 MQICROXLFLOEKZ-HXUWFJFHSA-N 348.446 4.303 0 40 EIAB biogenic Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCCC[C@H]2C)CCCC1 103962548 NMVJJEDURJILIY-MSOLQXFVSA-N 340.511 4.064 0 40 EIAB c1ccc(-c2nc(-c3ccsc3)no2)c(COC2CCOCC2)c1 193149410 QGRNWROCTQCPMS-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(O)cc1 208764114 IOXOLNGHAAPBOR-VGOFMYFVSA-N 334.158 4.044 0 40 EIAB CCOc1ccccc1CNC(=S)Nc1ccc(OC(C)C)cc1 225443382 LXKMDHNHDDWQPH-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2O)OCCO3 253617273 FYVKKXPWOJKVKR-OTMHUNNKSA-N 334.500 4.133 0 40 EIAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257212559 CDYITHWWGHCFOB-BRUGHKRESA-N 335.532 4.405 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)CC1 257238177 HJWRIJCWZXGRNP-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1OC 408585133 AWYFOPWAYRJIGO-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)c(C)c1)CCCC2 409114124 IWKBAWPNCXRXCH-UHFFFAOYSA-N 342.464 4.454 0 40 EIAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1cc(-c2ccc(Cl)cc2)no1 516091212 FQESEPNAXQXGAM-WQGACYEGSA-N 348.830 4.069 0 40 EIAB O=C(Nc1nccc2ccncc12)[C@@H]1C[C@H]1c1ccc(Cl)s1 585080371 BTEHCIDTOHYFCV-GHMZBOCLSA-N 329.812 4.087 0 40 EIAB CC(C)COC(=O)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 1644955768 MBLWAUHZGSTBKH-NRFANRHFSA-N 337.463 4.028 0 40 EIAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(NCc3ccccc3)ncc21 34428 REHCLXWBVOWVQA-MRXNPFEDSA-N 347.393 4.141 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc12 64216 OQDNQXRJUNNROU-RMKNXTFCSA-N 340.762 4.374 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 364663 NVFIZKVNBHDUPA-LBPRGKRZSA-N 334.213 4.164 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 569595 QAIMFLKKCWWGDH-UHFFFAOYSA-N 348.402 4.206 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 2662626 ICVYGBFSASPDMK-UHFFFAOYSA-N 327.733 4.331 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2ccccc12 3244317 XVQVASIQIBWIQS-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)N1CCc2ccccc21 3416359 AJOQCCWWYZFMFJ-CYBMUJFWSA-N 344.842 4.047 0 40 EIAB O=c1c2oc3ccccc3c2ncn1Cc1cccc2ccccc12 4167550 YQIGBJXXLYKXGJ-UHFFFAOYSA-N 326.355 4.344 0 40 EIAB CCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 4943161 VLKZWMVSFVXOJF-INIZCTEOSA-N 333.435 4.275 0 40 EIAB COc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 5463693 WIMDGDSXHGSUQO-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB C[C@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1 5472201 XZJYTRIIKJBGAL-JTQLQIEISA-N 340.360 4.462 0 40 EIAB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc12 5492368 BBCWLBGDVASUHB-LBPRGKRZSA-N 332.359 4.077 0 40 EIAB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 6297484 VSEXDTHSMSHRCT-STXHMFSFSA-N 333.387 4.414 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)c(OC)c1OC 6381665 UTBPEBSTXTXJHX-CSKARUKUSA-N 347.798 4.018 0 40 EIAB Cc1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1C 7757080 ZXZSUEUGSBRKSZ-UHFFFAOYSA-N 326.415 4.046 0 40 EIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1F 8320321 HRLRULJAHABTAZ-AWEZNQCLSA-N 338.835 4.316 0 40 EIAB O=C(O)c1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1 8321558 HNOHCESEVXVBPK-UVTDQMKNSA-N 326.739 4.172 0 40 EIAB C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccnc1 8775089 YKCJXKWSFVRRQB-GFCCVEGCSA-N 336.416 4.194 0 40 EIAB CCOC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 9134662 RLHBXNGNLUURTN-UHFFFAOYSA-N 326.352 4.027 0 40 EIAB Cc1ccc2c(CC(=O)N[C@H](C)Cc3cccs3)c(C)[nH]c2c1C 12203931 AJVNVSQNBSVLSB-CYBMUJFWSA-N 340.492 4.445 0 40 EIAB Cc1cccnc1NC(=O)c1cc2c(C)nn(CC(C)C)c2s1 12553920 VDZPFVNMCPYLTI-UHFFFAOYSA-N 328.441 4.018 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1cccnc1 12608434 RIMFPFLJEKFWLK-GQCTYLIASA-N 326.705 4.406 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C)n2)cc1OC 12633967 SLAQLAHTOBMBCS-UHFFFAOYSA-N 334.803 4.093 0 40 EIAB Cc1ccc(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 12791298 HCAZMMULDGPSDF-UHFFFAOYSA-N 348.450 4.461 0 40 EIAB Cc1ccc(OCc2nc(C(=O)NC3CCCCC3)cs2)cc1 12818736 NLBWNJBOPCZEFJ-UHFFFAOYSA-N 330.453 4.093 0 40 EIAB Cc1ccc(-c2nc(CNC(=O)Cc3cccs3)cs2)cc1 13736821 NIICRHUVYHDHRP-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 14268996 IJISTWYORKUHCT-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14399681 SOLQNLXUFMEFSU-AWEZNQCLSA-N 327.424 4.399 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)Nc1cnc2c(cnn2C(C)C)c1 16106794 UTDBKHMOZGIVNY-UHFFFAOYSA-N 333.395 4.054 0 40 EIAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)CC[C@H]43)[C@@H]1CC[C@@]21CCC(=O)O1 17316591 JSXFOYUNEYPEME-HYOLPLBNSA-N 330.468 4.284 0 40 EIAB biogenic Cc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1C(=O)O 20295748 RPGVNCHJWZEOBY-UHFFFAOYSA-N 347.798 4.143 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl 20460043 JTRCOORTCMFGCF-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(C2CCCC2)CO1 20727610 YUJRYMJBYJFYGQ-UHFFFAOYSA-N 341.451 4.449 0 40 EIAB COC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2s1 21356301 PAHBVUXDSFTXLF-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1OC(F)F 27358670 NDAOSEDJTFDCDL-BBRMVZONSA-N 349.377 4.323 0 40 EIAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc(F)c(F)c1 28220602 BTDOQLONVDPAES-UHFFFAOYSA-N 347.752 4.115 0 40 EIAB CCc1oc2ccccc2c1CN(C)C(=O)Cc1cccc(F)c1 32778196 SUOWZYYVXQSZMO-UHFFFAOYSA-N 325.383 4.335 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccccc2OC(F)(F)F)N1C1CC1 32854068 NFFJFMAIRRXPDB-INIZCTEOSA-N 348.324 4.314 0 40 EIAB c1cc(-c2ccc(CNc3ncnc4sc5c(c34)CCC5)cc2)[nH]n1 32932645 CXKCHVUCORXPTG-UHFFFAOYSA-N 347.447 4.182 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(F)cc1 39970425 OFMBDKTWGOVHMB-KRWDZBQOSA-N 330.428 4.198 0 40 EIAB O=C(c1cc2c(s1)CCC2)N1CCC(OCc2ccccc2)CC1 40017871 IUHCETMYUHMBFW-UHFFFAOYSA-N 341.476 4.058 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1cccnc1Oc1ccccc1 40090373 SJHPHISIMSUSGE-UHFFFAOYSA-N 338.338 4.031 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2cccc(F)c2)oc2c1C(=O)CC(C)(C)C2 40141196 NIXLWWHMWRAWNN-GFCCVEGCSA-N 343.398 4.373 0 40 EIAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 41018918 UFCMRCQEJHVLII-UHFFFAOYSA-N 334.375 4.116 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 41450310 AVOVQRHGMAUFPA-UHFFFAOYSA-N 325.151 4.366 0 40 EIAB CCc1noc([C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)n1 42651437 JSBTZUDXHFXMCA-JTQLQIEISA-N 349.847 4.028 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 43653798 ULCNCXOGLJQDID-NSHDSACASA-N 331.803 4.181 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4cc(C)c(C)cc4o3)nc12 57352677 JODMVHFJKLBZBP-UHFFFAOYSA-N 340.408 4.389 0 40 EIAB COc1ccccc1[C@H](C)NCC(=O)Nc1cccc2ccccc12 57383352 WYZSQUIERGHGGY-HNNXBMFYSA-N 334.419 4.138 0 40 EIAB O=C(CCC1CCCC1)NCc1ccc(CN2CCCCC2)cc1 57997275 LTGBOKVOOWROHO-UHFFFAOYSA-N 328.500 4.259 0 40 EIAB Cc1ccc(NC(=O)NCc2ccoc2)c(OCc2ccccc2)c1 58009172 ZRGVVTBDHNCISB-UHFFFAOYSA-N 336.391 4.489 0 40 EIAB COc1ccc(C(=O)N(C)CCC(F)(F)F)cc1-c1ccccc1 58192636 UXXJWWOQZUOYOT-UHFFFAOYSA-N 337.341 4.387 0 40 EIAB O=C(Cc1cccc(O)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 68975345 BREYNDZCVBYMRQ-IBGZPJMESA-N 341.407 4.041 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1scnc1-c1ccc(F)cc1 71185572 CZUQWZGYMMMRQW-VIFPVBQESA-N 345.399 4.296 0 40 EIAB O=c1[nH]n(C2CCCC2)c2c1[C@H](c1cccc(Cl)c1)CC(O)=N2 71280179 ZUQMFEDSWRFCAV-ZDUSSCGKSA-N 331.803 4.069 0 40 EIAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72218888 AJEUWMSSIHYOCR-KRWDZBQOSA-N 345.487 4.452 0 40 EIAB O=C(Nc1cc(-n2ccc3ccccc32)ncn1)c1ccccc1Cl 90614283 QFKFUTTYAIQSKD-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB COC(=O)C(C)(C)c1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1 95962301 AUWHWNBVZGSWRT-UHFFFAOYSA-N 346.471 4.181 0 40 EIAB F[C@H](C(F)(F)F)C(F)(F)COc1ccccc1Br 96508969 YIUWOVJIZZHEFZ-QMMMGPOBSA-N 337.057 4.364 0 40 EIAB COC(=O)c1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 100673741 QPJDXNGJBDLUFS-AZQQJEAVSA-N 341.451 4.408 0 40 EIAB CCOc1ccc(-c2nc(C(=O)Nc3cnccc3C)cs2)cc1 104453844 VTPJPUJISGGIOC-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1 224473241 ASGVHMIGWYEPEN-QGZVFWFLSA-N 349.883 4.406 0 40 EIAB CCOc1ccc(C(=O)N[C@@H]2CCCc3cc(OC)ccc32)cc1C 225262996 HFZYABOIYSIFAJ-LJQANCHMSA-N 339.435 4.210 0 40 EIAB CC(C)Oc1cccc(NC(=S)NCCCOC2CCCC2)c1 225620515 MZFKNSFBMFYRTQ-UHFFFAOYSA-N 336.501 4.110 0 40 EIAB CSc1cccc(NC(=O)c2snnc2-c2ccc(C)cc2)c1 225774993 HHPXVZHYFLVVRJ-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB COCCC1(NC(=S)Nc2ccc(C)c(Cl)c2)CCCC1 225852770 YZBBCPAIQGXEAS-UHFFFAOYSA-N 326.893 4.284 0 40 EIAB Cc1nc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2n1C 225893948 HRGNXVHVCNSAKQ-UHFFFAOYSA-N 334.206 4.441 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)c1 390832104 XHRCNVYKJXJOSB-UHFFFAOYSA-N 341.432 4.042 0 40 EIAB Cc1nc(-c2ccc(C)c(NCc3cccc(O)c3Cl)c2)n[nH]1 645169665 IWKDISPVMZSTES-UHFFFAOYSA-N 328.803 4.060 0 40 EIAB Cn1nc(CSc2nc3cc(F)cc(Cl)c3o2)cc1Cl 1559401223 PJKPCVMIWXHJJC-UHFFFAOYSA-N 332.187 4.300 0 40 EIAB O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccc(F)cc3)nn21 79107 OCHJQRYEZZVSGC-CQSZACIVSA-N 343.358 4.101 0 40 EIAB Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c(C)c1 252285 KLXUBLHRABVYCM-INIZCTEOSA-N 333.435 4.019 0 40 EIAB CN(C(=O)c1ccccc1F)c1nc(-c2ccc(F)cc2)cs1 413136 PJQLYXOEJPXYOZ-UHFFFAOYSA-N 330.359 4.365 0 40 EIAB CC(C)c1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 819308 BBUMEKADZAVSLC-GOSISDBHSA-N 342.527 4.281 0 40 EIAB CCCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 2026935 PHFPNFGCCAIACL-AQTBWJFISA-N 339.366 4.349 0 40 EIAB CCOC(=O)CCCCC(=O)c1ccc(Br)cc1C 2518025 OVUXRVQDRFBQCF-UHFFFAOYSA-N 327.218 4.064 0 40 EIAB COC(=O)c1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1 3246285 LUTZMEZUOOKPNH-UHFFFAOYSA-N 339.174 4.137 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCCC2)s1 3264907 WSZYXNJFDLZEKL-XJKSGUPXSA-N 334.510 4.073 0 40 EIAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccccc1F 3311420 OWRYHGQCOQMMNJ-UHFFFAOYSA-N 327.380 4.294 0 40 EIAB CCc1ccc(N(CC)C(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163810 QGTDLUYZPWFTNK-UHFFFAOYSA-N 334.419 4.275 0 40 EIAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(Br)c1 4711080 VNOUHQJQKIPUAN-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB COCc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 5279188 FDHDCNQIVIGVKW-UHFFFAOYSA-N 331.415 4.352 0 40 EIAB COc1ccc(-c2nnc(SCc3cccc(C)c3)o2)cc1OC 6035708 XDHUJIRKGGNJHJ-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 7935373 JIXDFNWXLJMTBY-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB CCOc1ccc(OCCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 8755673 ZGIBJSYHSCTOTN-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(O)cc2)cc1 9233344 XIHFDCCSDNKAHX-HXUWFJFHSA-N 346.386 4.172 0 40 EIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1 10405819 QFVYDUMZEWZIHU-UHFFFAOYSA-N 332.787 4.123 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10544464 GDVCSWZWABDCCT-INIZCTEOSA-N 333.435 4.200 0 40 EIAB CC1(C)CC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC(C)(C)N1 10816695 LYTICYZDWNEXRZ-UHFFFAOYSA-N 344.430 4.125 0 40 EIAB O=C(c1cccc(N2CCCC2=O)c1)c1cc2cc(Cl)ccc2o1 11164412 GNNORMPHYYQJSG-UHFFFAOYSA-N 339.778 4.444 0 40 EIAB Cc1cc(C)n(CCCC(=O)NC2(c3ccccc3F)CCCC2)n1 12197878 UHQOUXZJVGXEFF-UHFFFAOYSA-N 343.446 4.005 0 40 EIAB CN(C)c1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 12588710 ZLGRQIGWHVYZPG-UHFFFAOYSA-N 345.446 4.163 0 40 EIAB COc1ccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 12805841 NYGXKEBHHPXHHT-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB CC(C)c1ccc([C@H](O)CSc2nnc(C3CC3)n2C2CC2)cc1 12894737 JMEOAOMQOWGGPM-QGZVFWFLSA-N 343.496 4.440 0 40 EIAB CCc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 13006760 PNIBOXZXPXULDN-UHFFFAOYSA-N 337.398 4.443 0 40 EIAB CC(C)CSc1nc2ccccc2c2nc(-c3cccnc3)nn12 13640165 DGUSCZGSMCDZBU-UHFFFAOYSA-N 335.436 4.088 0 40 EIAB Fc1cccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13690987 HMGRSHACQWDTSD-UHFFFAOYSA-N 347.378 4.207 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1 14830939 SIJQGQVDZCCFOX-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB Cc1nnc2c3ccccc3nc(Nc3ccc(F)c(Cl)c3)n12 16363470 VKKIMUREVAZLEL-UHFFFAOYSA-N 327.750 4.122 0 40 EIAB CCCOc1ccccc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1 19525172 KHPMWVMRQGIXCM-QFBILLFUSA-N 328.456 4.273 0 40 EIAB COc1c(Cl)cc(C(=O)N2CCc3ccccc3C2)cc1Cl 21897722 CILRGEHERAEIKR-UHFFFAOYSA-N 336.218 4.201 0 40 EIAB CCc1cccc(C)c1NC(=O)c1cn(CC)c2ccccc2c1=O 22234383 AWYCQMAWTPNOLL-UHFFFAOYSA-N 334.419 4.145 0 40 EIAB Cc1ccc(OCC(=O)OCc2coc(-c3ccccc3)n2)c(C)c1 24299746 NROWWBRBYQAPER-UHFFFAOYSA-N 337.375 4.081 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCCSc2ccc(F)cc2)c1 24729525 BTFWDAPKVXWFGS-OAHLLOKOSA-N 347.455 4.200 0 40 EIAB S=c1scnn1CN1CCCC[C@H]1c1nc2ccccc2s1 24988824 NKWNJGRDKCKBER-LBPRGKRZSA-N 348.522 4.468 0 40 EIAB C[C@H](Sc1ncnc2sccc12)c1nc(-c2ccco2)no1 29738663 WZKOUHMYYNZULT-QMMMGPOBSA-N 330.394 4.188 0 40 EIAB C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCO1 29789748 XDVUENIRPFWESX-CYBMUJFWSA-N 349.352 4.233 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)CSC[C@@H]1CC1(Cl)Cl 32772160 IGFGJRVPZFWPEH-RYUDHWBXSA-N 332.296 4.099 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(C(C)C)cs1 32895091 PDDUYKQZLPYHCC-UHFFFAOYSA-N 347.465 4.473 0 40 EIAB O=C(Cc1cn2ccsc2n1)N[C@H](c1cccs1)C1CCCC1 32924362 VRTSMJMMRPYGMU-INIZCTEOSA-N 345.493 4.048 0 40 EIAB COc1ccc(CNc2cc(C(F)(F)F)nc3ccccc23)cn1 36396185 CFDUXSUQCBRVNR-UHFFFAOYSA-N 333.313 4.269 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 38771917 LMCJBGBFKCLVGM-AWEZNQCLSA-N 325.742 4.414 0 40 EIAB O=C(COC1CCCC1)Nc1cccc(C2SCCCS2)c1 44346764 BBVUOAMEFJOKGD-UHFFFAOYSA-N 337.510 4.453 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)cc1 44885059 LICWPCAFYFYGPW-HNNXBMFYSA-N 329.465 4.143 0 40 EIAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cc(C)ccc1C 58165886 ZEVILIYKLAZPHN-CQSZACIVSA-N 343.448 4.209 0 40 EIAB Cn1c([C@H](NC(=O)CC2CCCC2)c2ccccc2)nc2ccccc21 58414633 DUCXMZLSWXLDTE-OAQYLSRUSA-N 347.462 4.359 0 40 EIAB Cc1oc(C)c(C(=O)NC2(c3ccccc3)CCC2)c1Br 58737013 AINCVLNAMYMGAN-UHFFFAOYSA-N 348.240 4.468 0 40 EIAB O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 60416407 GXDLODMILUPWOG-UHFFFAOYSA-N 334.394 4.106 0 40 EIAB Cc1nc([C@@H](C)NC(=O)CCCc2nc3ccccc3s2)cs1 69591701 CAECRCVGTHYBDA-LLVKDONJSA-N 345.493 4.261 0 40 EIAB O=C(C[C@H]1C=CCC1)N[C@H](c1cccnc1)c1cc2ccccc2o1 69620289 MCVHUCFCSDFDEN-YCRPNKLZSA-N 332.403 4.390 0 40 EIAB CCN(C(=O)c1cnc(C)cn1)[C@H](C)c1cccc(C(F)(F)F)c1 69980916 XSTJBIYWDMFWKA-GFCCVEGCSA-N 337.345 4.027 0 40 EIAB CCNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213104 FKNHGNLIPACMRG-SFHVURJKSA-N 339.439 4.377 0 40 EIAB Cc1ccc(-c2c(CN3CCCCC3)c(=O)[nH]c3ccccc23)cc1 72314651 QTMNSHOHRLUUSD-UHFFFAOYSA-N 332.447 4.489 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@@H]1CSc2ccccc21 95398482 LLHORLVBIOEIFH-UYAOXDASSA-N 346.455 4.177 0 40 EIAB Fc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)c1ccccn1)CCO2 95419304 FDZWKGNCVPKWNJ-WIYYLYMNSA-N 334.394 4.424 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1c(F)cccc1OC 96440874 MZSHWWSLFRYNJG-BBRMVZONSA-N 345.418 4.083 0 40 EIAB Cc1cccc2s/c(=N/C(=O)c3cccc4ccccc34)n(C)c12 100878774 KKNGJHCGBDEJIZ-QZQOTICOSA-N 332.428 4.443 0 40 EIAB CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(F)c(C)c2)c(C)n1O 136088948 VXJDRYYSWLYIQP-UHFFFAOYSA-N 339.390 4.292 0 40 EIAB CO[C@H](CNC(=O)CCSc1ccccc1)c1ccccc1Cl 206850593 MHYWHBDKAYWGOL-QGZVFWFLSA-N 349.883 4.326 0 40 EIAB COc1ccccc1NC(=O)N1CCS[C@@H](c2cccs2)CC1 219530182 WPRPCKZNWODXQF-MRXNPFEDSA-N 348.493 4.469 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSc1ccccc1 222977991 REWSDURDOXQKTE-LJQANCHMSA-N 343.492 4.369 0 40 EIAB CCCNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224131045 JCXJYUMGLUWDFD-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225046831 QMYJWGOTQDOMJM-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1 225183125 GXZYESSIXYTBCA-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900420 YRKQDBZRXLTYOU-QRWLVFNGSA-N 348.487 4.493 0 40 EIAB COc1cc(C)c([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)c(C)c1C 257304291 SKXFNKQBFGNREY-JRBPQWBISA-N 345.483 4.145 0 40 EIAB Fc1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1 390833190 DGEDJEREOSASHC-LJQANCHMSA-N 341.817 4.343 0 40 EIAB COc1ccc(C2(c3nc(C(C)(C)OC)no3)CC3(CCC3)C2)cc1 585081625 CRJICSBMSFAPQQ-UHFFFAOYSA-N 342.439 4.210 0 40 EIAB CCc1cc(N2Cc3cccc(Cl)c3C2)nc(-c2ccncc2)n1 585083235 DURCERFEQMVWHT-UHFFFAOYSA-N 336.826 4.275 0 40 EIAB CCCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)O 585266843 RUEPWABUFAMUQM-INIZCTEOSA-N 345.830 4.122 0 40 EIAB Cc1ccc(-c2csc(CN3[C@H](C)CC[C@H](C(=O)O)[C@H]3C)n2)cc1 1616043985 DIEPRWCUSIMWRU-FMKPAKJESA-N 344.480 4.192 0 40 EIAB Fc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1 38238 QHYPVWHASIINHE-UHFFFAOYSA-N 341.349 4.170 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)C(=S)NCc1ccccc1 39185 NROFRNLMUQTWRB-UHFFFAOYSA-N 339.247 4.049 0 40 EIAB COc1cc(C(=O)Oc2cccc3ccccc23)cc(OC)c1OC 362120 RWMDTQJGDRGLRN-UHFFFAOYSA-N 338.359 4.085 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(C)cccc3s2)cc1 364556 ZJBXNJDGXJVRAV-CYBMUJFWSA-N 326.421 4.319 0 40 EIAB COc1cc(-c2nc3cccc(C)n3c2NC(C)(C)C)ccc1O 411925 QAALVFIEPQQPQD-UHFFFAOYSA-N 325.412 4.234 0 40 EIAB COC(=O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 555880 YYOFWYZKJWXVMM-UHFFFAOYSA-N 329.783 4.160 0 40 EIAB Cc1ccc(OCCSc2nnc(-c3cccs3)n2C)cc1 2126897 AIRTZSGOAQCOFR-UHFFFAOYSA-N 331.466 4.023 0 40 EIAB CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccccc2Cl)c1 3329505 QWKIZJOJDFZZLR-UHFFFAOYSA-N 339.844 4.144 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1 3387737 LBNWTVRQAGDILW-HNNXBMFYSA-N 349.789 4.289 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1OC 3554114 QZXOONAZSVGESA-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1 4072194 WZYUTXULNNILGP-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nc2ccccc21 4484423 JOHMNRQNCNADND-UHFFFAOYSA-N 343.427 4.235 0 40 EIAB O=C(CSc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 5018437 XKIVHDYSFDTFGC-UHFFFAOYSA-N 344.476 4.335 0 40 EIAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2C)cc1 5019954 SLJPGYNSXPRXCP-HNNXBMFYSA-N 329.465 4.109 0 40 EIAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)c1 5201044 RYDURZPJCUPENR-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1 5421417 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HTUWWBBMYTZZLX-UHFFFAOYSA-N 336.420 4.142 0 40 EIAB O=C(NCC1(c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F 11899754 INCHIOZYJPVDIP-UHFFFAOYSA-N 337.316 4.306 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)c2ccc3ccccc3n2)c1 12947393 IHAHUFUETPJHLJ-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB CC(C)c1ccc(-c2nc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cs2)cc1 13015397 TWVLHMKQKQAIKK-KBPBESRZSA-N 344.480 4.183 0 40 EIAB CCc1ccc(CCC(=O)NCCSCc2ccccc2F)cc1 13668351 CQXKBFIANYYFFY-UHFFFAOYSA-N 345.483 4.370 0 40 EIAB CCOc1ccc(OCCCCOc2ccc(C(=O)O)cc2)cc1 14084017 UYKVELJJCIGMAQ-UHFFFAOYSA-N 330.380 4.022 0 40 EIAB CCCN(CC1CC1)Cn1[nH]c(/C=C/c2ccc(C)o2)nc1=S 14197732 RVXKPGIAXVGWJA-CMDGGOBGSA-N 332.473 4.092 0 40 EIAB O=C(/C=C/c1ccccc1F)NCCCCOc1ccc(Cl)cc1 14854272 VUYNNYKSHFRKJS-KPKJPENVSA-N 347.817 4.468 0 40 EIAB Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1C 15651766 ZFARGEPYQYMSMB-UHFFFAOYSA-N 347.390 4.296 0 40 EIAB COc1ccc([C@H](C)NCc2cnc(SCC(C)C)nc2)cc1F 19447379 RYNFEDHFTQZPRX-ZDUSSCGKSA-N 349.475 4.223 0 40 EIAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)OCC(C)C)[C@H]3CCC1 19625202 OOXMQWBFJXIIKR-SFHVURJKSA-N 326.440 4.435 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccco1 20490707 LIBGUHLISKFDBX-KRWDZBQOSA-N 347.480 4.103 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@@H](C)C2)o1 20893337 UWWGARYEGHLZIJ-OAHLLOKOSA-N 349.434 4.313 0 40 EIAB Cc1nc(-c2ccccc2)nc(SCc2ccccc2)c1C(=O)O 22154913 CVEUFVQPXVYNMX-UHFFFAOYSA-N 336.416 4.443 0 40 EIAB Cc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1N1CCCC1=O 22284902 HQVGGLPKUXHBSM-UHFFFAOYSA-N 348.446 4.182 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1 23383833 HAQAAFKRVMWQOD-FQEVSTJZSA-N 335.403 4.019 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1nnc(-c2ccco2)o1 23990017 XJUYERCZQYPYSA-NSHDSACASA-N 340.408 4.132 0 40 EIAB O=C(Nc1ccccc1-c1cccs1)c1cnn(-c2ccccc2)n1 24779929 NIJODUMBOIULHS-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cnc21 25995150 BTFIHOWTGMEPDX-HDMKZQKVSA-N 340.471 4.101 0 40 EIAB CC(=O)Nc1ccc(-c2nc(Cc3csc(C)n3)sc2C)cc1 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EIAB CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1cccc(F)c1 45515870 XZHGRGXAXHLSQB-UHFFFAOYSA-N 341.361 4.126 0 40 EIAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cnsn1 47412695 CZLCLEPMPCLPCI-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1 48189654 CQHBMUXBQHDLFJ-SNVBAGLBSA-N 341.263 4.185 0 40 EIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(OCc2ccccc2)cc1 49548153 CWIMCOJKNNGZHO-QGZVFWFLSA-N 333.391 4.123 0 40 EIAB COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1F 51354257 SJPJKFFRESOXCV-UHFFFAOYSA-N 328.265 4.497 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)cc2)c1 56444498 JIFHHBKUHOEPNW-HUUCEWRRSA-N 339.439 4.075 0 40 EIAB CC(=O)N(c1nnc(SCc2c(C)cc(C)cc2C)s1)C1CC1 64927722 HULNCIHKZCOKLY-UHFFFAOYSA-N 347.509 4.271 0 40 EIAB Cc1nc(-c2ccccc2)sc1CNC(=O)Cc1cccs1 66554058 WYHSXKMIHUJDPN-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB O=C(Nc1ccccc1-n1cccn1)c1cc2cc(Cl)ccc2[nH]1 69586659 OHTILPBYDSLWIY-UHFFFAOYSA-N 336.782 4.259 0 40 EIAB CS[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 69976987 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c1ccc(Oc2ccc(CN[C@H]3CCO[C@]4(CCSC4)C3)o2)cc1 97236025 VVBSSJGZIGDNHO-HNAYVOBHSA-N 345.464 4.216 0 40 EIAB Cc1nc(CSCCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cs1 105953107 GIAVUGDTNOYDPQ-PCBIJLKTSA-N 338.542 4.016 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F 171534499 KASJJKLMCDZVFX-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 223297762 NMDWMSCJVXGFNF-AWEZNQCLSA-N 329.415 4.034 0 40 EIAB Cc1cccc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 223970956 DKCSSJHGDKXOQM-UHFFFAOYSA-N 325.481 4.188 0 40 EIAB Cc1cc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)ccc1Cl 225058895 VKHXZPCLEKZNAD-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB Cc1ccccc1O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225084787 MWAMUOZYSYZZQB-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CCOc1ccccc1C[C@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225104536 LLSPIADWDJCTDV-KRWDZBQOSA-N 334.799 4.122 0 40 EIAB CCOc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2)cc1 225308926 KUKWEVSFCBTQER-UHFFFAOYSA-N 345.870 4.420 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)NC(C(C)C)C(C)C)c1 225327633 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Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1 303489 ZQPCHBOEODFGDI-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB Cc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1 426472 IPMVIZGWSUTIBF-UHFFFAOYSA-N 329.407 4.044 0 40 EIAB COc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 1400522 CEZLSSOVJUJTJF-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1 3235662 XLKHWVXNDPHVFD-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB O=C(Oc1ccc2c(c1)C(=O)c1ccccc1CO2)c1ccccc1 4107786 DRFPUJJJAFNTNP-UHFFFAOYSA-N 330.339 4.029 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1cccc(C)c1 4162651 SQRDHYKGCUKSCE-UHFFFAOYSA-N 337.375 4.099 0 40 EIAB Cc1ccc(Nc2nc3nonc3nc2Nc2cccc(C)c2)cc1 4357757 DTAPLRGPMWKCLS-UHFFFAOYSA-N 332.367 4.117 0 40 EIAB OCc1nc2ccccc2n1CCCOc1cccc2ccccc12 4385612 OVASZRWNZSLBQK-UHFFFAOYSA-N 332.403 4.151 0 40 EIAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1O 4571438 AUJSUQSWVKFZNK-JDNHERCYSA-N 344.436 4.016 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(CC)cc1)C2 4857079 PBPZLSSNOGQANV-YQQQUEKLSA-N 345.556 4.331 0 40 EIAB COc1cc(C)c(NC(=O)CCSc2ccc(F)cc2)cc1OC 6258967 SRGHTXZECIOWLX-UHFFFAOYSA-N 349.427 4.272 0 40 EIAB Cc1csc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 7834675 ZDYPUMMPKMDCPP-CYBMUJFWSA-N 346.521 4.300 0 40 EIAB COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 8185274 XVRCHERPPKSBOH-UHFFFAOYSA-N 341.407 4.493 0 40 EIAB O=C(Nc1ccccn1)c1cc(-c2ccccc2)nn1-c1ccccc1 8194509 FQOMEGJTPCPDJE-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 12773359 PTBYQWLNBXUIQE-YVEFUNNKSA-N 348.368 4.310 0 40 EIAB Cc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(C)o1 12818446 HBLVOKIALZXRTI-UHFFFAOYSA-N 331.265 4.229 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cnc21 13000644 CNAPVPJPVQJKNH-ZDUSSCGKSA-N 348.406 4.249 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 13840411 MZWJJWVXOUKABA-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CCN1C(=O)[C@@H](Cc2cc(OC)c(OC)cc2Cl)c2ccccc21 15018205 XICYBXTXPTUORA-AWEZNQCLSA-N 345.826 4.050 0 40 EIAB O=C1CSc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2N1 15574696 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COc1ccccc1-c1cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)[nH]n1 84671093 QQRSQPIMRFKMIB-RDTXWAMCSA-N 339.439 4.262 0 40 EIAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1cccc2cccnc12 85432499 RASNDUCJQQOXFF-KRWDZBQOSA-N 338.436 4.436 0 40 EIAB C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccccn1)c1ccc(F)c(F)c1 86338436 VDCZCQRNIMAAED-QWHCGFSZSA-N 345.393 4.356 0 40 EIAB C[C@H](O)C[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 89894870 WIZQZZDDCSAAPU-LPHOPBHVSA-N 349.430 4.231 0 40 EIAB C[C@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@H](C)O1 95356642 VTCQGSQXOSMQPX-STQMWFEESA-N 340.452 4.049 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 95381709 NZRUSEYMSRVDCX-NWDGAFQWSA-N 338.329 4.107 0 40 EIAB CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(OC)ccc1Br 95459131 PSDYGMZEQDUBIR-WDEREUQCSA-N 341.249 4.253 0 40 EIAB Cc1c(C(=O)NCCNc2ccccn2)oc2c1ccc1ccccc12 95948060 CNWXLCWNHTXINU-UHFFFAOYSA-N 345.402 4.131 0 40 EIAB CO[C@@H](C(=O)OCc1nc(-c2ccccc2)oc1C)c1ccccc1 95953028 VLDDRKJIXWULOT-GOSISDBHSA-N 337.375 4.081 0 40 EIAB c1cc(-c2ccc3c(c2)C2(CC3)CCN(c3nncs3)CC2)ccn1 96241715 NLPXIDUCHOPUDZ-UHFFFAOYSA-N 348.475 4.085 0 40 EIAB Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 96417642 JIVJLGKELBEYTC-UONOGXRCSA-N 339.395 4.364 0 40 EIAB C[C@H](COc1ccc(F)c(F)c1)Nc1cccc(Cn2cccn2)c1 97037369 BMVWXKOIZZKWDS-CQSZACIVSA-N 343.377 4.089 0 40 EIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(SC)cc1 107685877 HQYWGOQOBXGBIE-HNNXBMFYSA-N 346.477 4.176 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1 113951163 WFCBLTYAGBHYQH-IBGZPJMESA-N 341.451 4.176 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924010 YTEOUZKSZOTHEC-ZWKWUMHUSA-N 346.511 4.164 0 40 EIAB O=C(/C=C/c1cccnc1)Nc1ccccc1-c1cn2ccccc2n1 206899342 UDOBUSJQCWVOLE-ZHACJKMWSA-N 340.386 4.048 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c(C)c1 219526082 QXMZJWHJSNNBFG-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 222754896 OCUNBKKGRRZMNV-UHFFFAOYSA-N 345.398 4.244 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C 222905843 YFWDRFRSWFZSSE-QGZVFWFLSA-N 339.479 4.419 0 40 EIAB CSc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1 223734166 RNNMRVKTLVSPGF-UHFFFAOYSA-N 335.494 4.010 0 40 EIAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1C 223761195 OHZFJPHTJKFWJJ-QGZVFWFLSA-N 347.480 4.050 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccccc1C(C)C 223828688 VAZMZHTVPRWNID-LJQANCHMSA-N 341.451 4.163 0 40 EIAB Cc1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)n1 225566696 JBYWENWCTUWVKS-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C)cc1C 225785063 APAQZOUQVDEMHO-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB Cc1ccccc1C1(NC(=S)Nc2ncccc2C)CCCC1 225871870 YWBLKMVONVMIHP-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB Cc1nc2ccccc2n1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 426685 BMDVTUWUNUBQKA-UHFFFAOYSA-N 344.296 4.403 0 40 EIAB Cc1cc2ncn(S(=O)(=O)c3cc(C(C)C)ccc3C)c2cc1C 3640380 KDRJQFXPOIUXOH-UHFFFAOYSA-N 342.464 4.322 0 40 EIAB Cc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O 4033325 VZRHQGKTYWRQPQ-ZDUSSCGKSA-N 339.826 4.056 0 40 EIAB Cc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 4088325 WQDZEPBKNCZFOJ-UHFFFAOYSA-N 325.418 4.467 0 40 EIAB COC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)c(Cl)c1 4105500 AAXHVLRQWQFCBT-UHFFFAOYSA-N 341.190 4.368 0 40 EIAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NC(C)C 4727347 FZRDRXOIRVLPPB-UHFFFAOYSA-N 327.468 4.301 0 40 EIAB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1ccccc1F 5257954 FIJKJHABCCTVKV-UHFFFAOYSA-N 329.114 4.293 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2ccc(C)cc2Cl)c(C)n1 5404243 DOPUVVOLVVDPAB-UHFFFAOYSA-N 349.887 4.348 0 40 EIAB COc1ccc(/C=C/C(=O)NCCOc2cccc3ccccc23)cc1 5526837 SYWQPGYUDQVHAR-SDNWHVSQSA-N 347.414 4.057 0 40 EIAB CCCCCCNC(=O)c1ccccc1C(=O)NCCCCCC 6042167 CAJXJLKMVWWRDK-UHFFFAOYSA-N 332.488 4.307 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SCC)cc1 6439380 NHAZRMFOVFSJRN-UHFFFAOYSA-N 329.421 4.228 0 40 EIAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(Br)o1 6620053 DCNKURWCACDELN-UHFFFAOYSA-N 348.152 4.054 0 40 EIAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2F)n1 6810510 RMPLDQAHWJWYGZ-UHFFFAOYSA-N 325.796 4.024 0 40 EIAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCCc2ccccc21 6947826 OAFYJKMMIYSUEX-INIZCTEOSA-N 333.790 4.052 0 40 EIAB COc1cc(NC(=O)c2ccc3ncsc3c2)c(OC)cc1Cl 7989471 WUKCFFXRPXETTF-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Clc1ccc(-c2nnc3sc(CCc4ccccc4)nn23)cc1 9227247 XJOQEZWOUAKWAG-UHFFFAOYSA-N 340.839 4.291 0 40 EIAB CCO[P@](=O)(CC1(O)CCCCC1)c1cccc2ccccc12 10494711 PZTWOLBSLNTCBE-HSZRJFAPSA-N 332.380 4.475 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)c(F)c1 11378821 XDGVYPAHEAQHLJ-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB CC(C)c1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 12753751 LYWMOOTXTQSOJW-UHFFFAOYSA-N 336.435 4.118 0 40 EIAB CCc1cccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 12768690 WOCQGGGBKPMYFV-QGZVFWFLSA-N 325.408 4.059 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1 12793248 SDDUJUBMPTYJCA-CABCVRRESA-N 342.508 4.107 0 40 EIAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 13131553 ABPWFENKLHEUGN-MOPGFXCFSA-N 334.423 4.132 0 40 EIAB Cn1ccnc1SC(=O)C(Cl)(c1ccccc1)c1ccccc1 13285040 BKSPUEOHMXZNOJ-UHFFFAOYSA-N 342.851 4.221 0 40 EIAB Cc1cc(C(=O)O)ccc1NC(=O)C(c1ccccc1)c1ccccc1 13391158 SHJWVJPFBADZEU-UHFFFAOYSA-N 345.398 4.464 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13523362 DJPZSBANTAQNFN-STHVQZNPSA-N 330.468 4.450 0 40 EIAB biogenic,in-vitro CCOc1cccc(-c2nnc(NC(=O)C3CCCCC3)s2)c1 13570645 ORXSQIMIZJYNDG-UHFFFAOYSA-N 331.441 4.123 0 40 EIAB CC(C)Oc1ccc([C@H](NC2CCN(C)CC2)c2ccccc2)cc1 13685499 TWODAZQSOLGALR-JOCHJYFZSA-N 338.495 4.247 0 40 EIAB CC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 14110335 FVANSPKYHGXNKG-UHFFFAOYSA-N 328.418 4.327 0 40 EIAB CCn1c(Sc2ncnc3sccc23)nnc1-c1ccccc1 14167225 BQFPBQKJPOBHNW-UHFFFAOYSA-N 339.449 4.121 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c(OC)c1 16706392 XKPLKIKGPKKHPJ-OHEJIBKASA-N 327.380 4.072 0 40 EIAB O=C(NC1CCCCC1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 17822597 RGWGQLBFUPUQLE-CAPBHKODSA-N 330.299 4.291 0 40 EIAB Cc1cc2sc(NC(=O)C(C)(C)Br)nc2cc1Cl 20133155 FCPKTJYCZDWFGB-UHFFFAOYSA-N 347.665 4.370 0 40 EIAB Clc1ccc([C@H](CCN2CCOCC2)Cc2ccccc2)cc1 20517940 CFCRKTBHCVUJHX-LJQANCHMSA-N 329.871 4.389 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(C[C@H](C)c1ccccc1)CO3 20610379 QJFPWEKUNYSZTG-AWEZNQCLSA-N 349.430 4.365 0 40 EIAB biogenic COc1ccc(F)cc1COc1ccc(NC(=O)c2ccco2)cc1 22316320 JDDFYNIXIUIZKE-UHFFFAOYSA-N 341.338 4.259 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(F)cc1 22517183 NGKYUYXMEYDKMK-IBGZPJMESA-N 329.415 4.041 0 40 EIAB O=C(NOCc1ccccc1)c1cc(-c2ccco2)nc2ccccc12 25282689 QFKAWGPYFJNKQP-UHFFFAOYSA-N 344.370 4.356 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccccc2)c1 26316050 PVHMMEUUGPTEIB-HUUCEWRRSA-N 339.439 4.109 0 40 EIAB COc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1OC 26981896 MOKGPQIBEKKXMB-UHFFFAOYSA-N 332.450 4.183 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 30758546 HPCNMZKWMMJWKR-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CCCn1c(NC(=O)c2cc3ccc(OC)cc3[nH]2)nc2ccccc21 31263587 ADTVHOJKKIYKEO-UHFFFAOYSA-N 348.406 4.189 0 40 EIAB CN(C(=O)Cc1ccc(-n2cccc2)cc1)c1nc2ccccc2s1 33166442 HENYUHFIIYZWOT-UHFFFAOYSA-N 347.443 4.293 0 40 EIAB Cc1ccccc1[C@H]1CCCN1Cc1nc(Cc2ccccc2)no1 40153679 OKIBOXSHOGYCQG-LJQANCHMSA-N 333.435 4.306 0 40 EIAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1F 40449518 SRCHCNGDJAHSBS-UHFFFAOYSA-N 339.414 4.316 0 40 EIAB COc1ccc2nc(-c3ccccc3)cc(SCCC(=O)O)c2c1 41105095 SPIPHTMCWNYPLE-UHFFFAOYSA-N 339.416 4.477 0 40 EIAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Br 47913141 MGJMOARTVXTELR-UHFFFAOYSA-N 328.593 4.136 0 40 EIAB Cc1cc(CNC(=O)COC2CCCCC2)c2[nH]c(C)c(C)c2c1 48345888 DNKSDZILEBRJFT-UHFFFAOYSA-N 328.456 4.059 0 40 EIAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 57406364 UXSUILQKSDOEIC-QGZVFWFLSA-N 330.431 4.393 0 40 EIAB COc1cc2cc(C(=O)O)cc(-c3ccc(F)cc3)c2cc1OC 62702284 JSERJFKJFNAHMD-UHFFFAOYSA-N 326.323 4.361 0 40 EIAB CCN(CCC(F)(F)F)C(=O)c1cccn1Cc1cccs1 65536154 NNDVQGIUZIUHFA-UHFFFAOYSA-N 330.375 4.012 0 40 EIAB Cc1ccc2c(ccn2CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 72325941 YCEDPUZLMKERJK-UHFFFAOYSA-N 343.430 4.016 0 40 EIAB biogenic Cc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(Cl)c2c1 72329791 XKLOAEWFYASMEJ-UHFFFAOYSA-N 335.787 4.169 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1 72404322 QLOPEDLSOYXFPE-OAHLLOKOSA-N 339.420 4.125 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C 84291118 ONHDZISBUHMLLJ-MJGOQNOKSA-N 337.467 4.035 0 40 EIAB C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccccn1)c1ccc(F)c(F)c1 86338432 VDCZCQRNIMAAED-STQMWFEESA-N 345.393 4.356 0 40 EIAB Cc1csc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 89705624 SBWPTROQOPTBGB-QGZVFWFLSA-N 329.856 4.379 0 40 EIAB Cc1nnc([C@H](C)SCc2csc(COc3ccccc3)n2)o1 95412896 VZSRLLDQUWYHRX-NSHDSACASA-N 347.465 4.408 0 40 EIAB Cc1nc(CN2CCC(CN[C@H](C)c3cccs3)CC2)cs1 95422298 QCSKNRNXMPCGFU-CYBMUJFWSA-N 335.542 4.076 0 40 EIAB C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)C1CCOCC1 95439607 LGWROPMENODEJZ-HTAPYJJXSA-N 349.474 4.375 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)Cc2cccs2)cnc1Br 96009005 PIJNUQUFCFGLSM-JTQLQIEISA-N 339.258 4.031 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)c2cn(CC)nc2C(C)C)c1 96418201 RDLIKKDKQOBNOY-UHFFFAOYSA-N 345.443 4.076 0 40 EIAB Cc1ncsc1COC(=O)c1ncoc1-c1ccccc1Cl 96441910 JADFCIURTMYYTP-UHFFFAOYSA-N 334.784 4.117 0 40 EIAB COC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl 96702527 OTAQLVGBGUXOPR-UHFFFAOYSA-N 339.178 4.424 0 40 EIAB O=C(NCc1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 98072963 HHSYOLWAFSNQBZ-UHFFFAOYSA-N 328.265 4.046 0 40 EIAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2[nH]ccc2c1 107535596 ADIJEHZMMSBGLR-UHFFFAOYSA-N 327.387 4.406 0 40 EIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 135686921 BMDNPBLUVJZAEA-BPSSIEEOSA-N 332.484 4.242 0 40 EIAB in-vitro Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1 170583749 PFCWRMVMIJBCPS-UHFFFAOYSA-N 336.370 4.228 0 40 EIAB CC(C)C[C@@H](N)C1(c2ccc(I)cc2)CCC1 208546303 OGXBPSHXFXKKPI-CQSZACIVSA-N 343.252 4.086 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccccc1Cl 219573065 PLGYPTLGWKWCFT-KRWDZBQOSA-N 349.833 4.386 0 40 EIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1C 223505308 DVRIHDMEMSGYJB-OAHLLOKOSA-N 335.444 4.099 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224186938 OLAWPFMPMZXMTN-UHFFFAOYSA-N 345.870 4.393 0 40 EIAB Cc1cccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224290231 QCSWCIYRSGVNRT-UHFFFAOYSA-N 338.342 4.360 0 40 EIAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2cccnc12 225890336 NGTRYKIIFOEPHV-VBKZILBWSA-N 342.439 4.167 0 40 EIAB COC(=O)c1ccc(CN2c3cc(OC)ccc3[C@H](C)CC2(C)C)o1 260625440 ZTJKGQUCSRSCID-CYBMUJFWSA-N 343.423 4.367 0 40 EIAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 390831933 WBVYUPVDCFVYRK-KRWDZBQOSA-N 348.512 4.171 0 40 EIAB S=C(NCc1ccccc1)Nc1ccc(Oc2ccccc2)nc1 408585597 GWMKAOKWZOHBNY-UHFFFAOYSA-N 335.432 4.361 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 408979240 LQEPLUVCTGFFTF-SFHVURJKSA-N 340.423 4.119 0 40 EIAB C[C@H]1CCC[C@@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 521394008 HSNAAGPUGCCJQJ-LKCYJCQHSA-N 342.439 4.410 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2cccs2)o1 575609643 ZIUBNMHIQQHPMK-UHFFFAOYSA-N 347.823 4.357 0 40 EIAB O=C(N[C@@H]1CCCOCC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 613277600 HQWKTMVFVVRXNA-MOPGFXCFSA-N 343.854 4.157 0 40 EIAB CCC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1 570032 SCSCLHZQJPBNEA-UHFFFAOYSA-N 347.212 4.050 0 40 EIAB Cc1nc2ccccc2n1C1CCN(C(=O)/C=C/c2ccccc2)CC1 1371012 YMRBZHCMQASPHQ-VAWYXSNFSA-N 345.446 4.222 0 40 EIAB Cc1nc2c(-c3ccccn3)cnn2c(C)c1Cc1ccc(Cl)nc1 1393780 VZGBXURCZUKKTL-UHFFFAOYSA-N 349.825 4.047 0 40 EIAB CS(=O)(=O)Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 3012934 XJUHDUOPWHXQQJ-UHFFFAOYSA-N 343.446 4.325 0 40 EIAB CCCC[C@H](CC)C(=O)OCC(=O)c1ccc(Br)cc1 3231676 RPTBYIUPRYSJTQ-LBPRGKRZSA-N 341.245 4.391 0 40 EIAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 5333430 DDQIFQYQTRLFBL-HNNXBMFYSA-N 331.416 4.023 0 40 EIAB Cc1ccnc(NC(=O)c2cccnc2-c2nc3ccccc3s2)c1 6669405 YSPSRULGSHFVBC-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB Cc1cccc(C)c1NC(=O)CNc1ccccc1N1CCCCC1 7973115 YFZHSYDESYGKSQ-UHFFFAOYSA-N 337.467 4.344 0 40 EIAB Cc1ccc(C)c(-c2csc(CC(=O)NCc3ccccc3)n2)c1 8103253 OWLYYKYCUXPZCG-UHFFFAOYSA-N 336.460 4.286 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1Cl 8273270 LWRAMGXFFXQCNA-UHFFFAOYSA-N 348.880 4.384 0 40 EIAB Cc1nc(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1 8649721 WAGXMLMFTUFIRG-UHFFFAOYSA-N 342.398 4.195 0 40 EIAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1 9196367 NOYDWSDATHGJRS-UHFFFAOYSA-N 341.798 4.351 0 40 EIAB Cc1c(C(=O)Nc2ccccc2N2CCCC2=O)oc2ccccc12 9458921 MEJZYWIIIINXCM-UHFFFAOYSA-N 334.375 4.120 0 40 EIAB O=C(Nc1nccs1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13164776 UHORZUHLBHTVCS-YOGCLGLASA-N 340.539 4.084 0 40 EIAB CCOc1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1 13803177 JSLAKFLWNKYIQM-UHFFFAOYSA-N 329.465 4.389 0 40 EIAB CN(Cc1ccc(C(C)(C)C)cc1)Cn1ncn(C2CC2)c1=S 14205931 JOTRXHCEFABVPV-UHFFFAOYSA-N 330.501 4.136 0 40 EIAB COc1cc(C(=O)Nc2ncccc2C)cc(Cl)c1OCC(C)C 18231250 VFGAJWRZMANTEI-UHFFFAOYSA-N 348.830 4.339 0 40 EIAB Cc1ccc(C)c([C@H](O)CN2CCC(Oc3ccccc3F)CC2)c1 19132009 VVGFVOYDWHHXLU-HXUWFJFHSA-N 343.442 4.019 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccccc1 20457355 HZIRNDDJEZNOBU-FQEVSTJZSA-N 333.431 4.356 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(C)=O)cc1 20487725 UIAFBJUBPIJSQZ-KRWDZBQOSA-N 346.814 4.095 0 40 EIAB O=C1Nc2ccccc2CC[C@@H]1Sc1nc2ccccc2s1 20716056 SYMMIRSGEUZRPF-HNNXBMFYSA-N 326.446 4.342 0 40 EIAB COc1ccccc1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 20723299 JIIURMHMXNCWDX-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1OC 22512421 RBWQTMNXMOZZKX-STRFDMGBSA-N 345.826 4.248 0 40 EIAB COCc1c(C(=O)NCCCOC2CCCCC2)oc2ccccc12 24480764 IIYPCXNOLBQRPT-UHFFFAOYSA-N 345.439 4.048 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2 28871469 OHIFLIAJJQBKAS-CQSZACIVSA-N 340.423 4.020 0 40 EIAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)cc12 30477332 VRSIDGMYKMYMFN-VIFPVBQESA-N 349.312 4.041 0 40 EIAB CSc1ccccc1C(=O)Nc1ccc(C)c(NC(C)=O)c1C 30836339 VMTHEWQQBWQPHM-UHFFFAOYSA-N 328.437 4.236 0 40 EIAB O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1N1CCCC1=O 32768521 TWLUPHRZYBBHMK-UHFFFAOYSA-N 346.858 4.087 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38849486 YEOMUODSNUMABT-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB O=C(c1ccc(C2OCCO2)s1)c1ccc(Cl)cc1Cl 43210438 YDSKSVOJWYUVMM-UHFFFAOYSA-N 329.204 4.331 0 40 EIAB COC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C(C)C)cc2)cc1 48326913 GRUBHXGRAFOHHR-UHFFFAOYSA-N 340.423 4.261 0 40 EIAB O=c1[nH]c(C[C@H]2CCCO2)nc2scc(-c3ccccc3Cl)c12 55492055 CTEJKLXZKOGPDB-SNVBAGLBSA-N 346.839 4.027 0 40 EIAB C[C@@H](c1cccnc1)N(C(=O)c1cc(-c2cccs2)on1)C1CC1 69508887 WRLKVNAFUCHXIW-LBPRGKRZSA-N 339.420 4.164 0 40 EIAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216049 REBOWGNXDPROHR-LJQANCHMSA-N 335.451 4.049 0 40 EIAB CCOc1ccccc1CCC(=O)N1CCCC[C@H]1c1nccs1 72272090 OMOVRSCEOKLQMR-INIZCTEOSA-N 344.480 4.228 0 40 EIAB CN(Cc1nccn1C(F)F)C(=O)C1CCC(C(C)(C)C)CC1 74140308 WIFUNCXDZATTQN-UHFFFAOYSA-N 327.419 4.089 0 40 EIAB CC(C)(Oc1ccc2c(c1)CC/C(=C\c1ccccc1)C2=O)C(=O)O 78726008 DRLCOFZTKIRAQJ-FOWTUZBSSA-N 336.387 4.141 0 40 EIAB Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1cccc(Cl)c1 78978804 LQMGRZIJGGVDEG-UHFFFAOYSA-N 347.823 4.277 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 84008386 SYZGSJPHSAJXFF-UHFFFAOYSA-N 325.334 4.352 0 40 EIAB Cc1cccnc1CNC1(c2cccc(Br)c2)CCC1 93192686 QWCPQYNJEPJLEN-UHFFFAOYSA-N 331.257 4.322 0 40 EIAB CC(C)Oc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1F 95422043 FNBUPEJHUUWKNZ-BSEYFRJRSA-N 349.471 4.201 0 40 EIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC1CCCCC1 95464587 OLDZQKUGWYTXNK-IBGZPJMESA-N 325.456 4.300 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(C)C)cc1 96726807 IGMHWDHQSDXADI-UHFFFAOYSA-N 331.843 4.445 0 40 EIAB Cc1ccn(-c2ccccc2N[C@H](C)c2ccc([S@](C)=O)cc2)n1 97038707 IYDINLAJXPDRFX-OYLFLEFRSA-N 339.464 4.091 0 40 EIAB C[S@@](=O)Cc1cccc(NCCc2c(F)cccc2Cl)c1 97114006 CJQLMLRCWRASGX-NRFANRHFSA-N 325.836 4.012 0 40 EIAB COc1ccc(C(=O)CCc2ccccc2Br)cc1OC 199765280 GPQWBOPSVNWVPZ-UHFFFAOYSA-N 349.224 4.282 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)c(C)c1 222802255 WPMDUGUDDHSHMG-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(OC)c(C)c1 223228756 LIQLMJSQNNSPRR-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB O=C(NCCOc1ccccc1Cl)C1(c2ccccc2)CCCC1 223293653 OSZHLMAUQKOOKP-UHFFFAOYSA-N 343.854 4.347 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 224000471 QOILEEPYTHUJBR-MRXNPFEDSA-N 327.493 4.446 0 40 EIAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1C 224094949 FESWBQVRZIFWRN-UHFFFAOYSA-N 339.435 4.255 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COC(C)C 224423385 CZBYJYNVLDAFGI-UHFFFAOYSA-N 327.424 4.489 0 40 EIAB COc1ccccc1O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225088618 NGVVOXUSXQNBHW-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2cccnc12 225883640 FAEWLKLZRMGYKW-LJQANCHMSA-N 330.428 4.023 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039289 YDWOFKOUHGWBFX-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCCC[C@@H]1C 226330373 ALRAXQBCTNEBDX-AWEZNQCLSA-N 341.430 4.347 0 40 EIAB Cc1nc2ccc(OC(=S)N3c4ccccc4C[C@H]3C)cc2nc1C 408735995 ZKFAVCWKYJEIFA-GFCCVEGCSA-N 349.459 4.362 0 40 EIAB O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2ccncc2c1 1126152231 RSZDXXLBFNLYSA-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB Clc1cccnc1Sc1cncc(Sc2ccccn2)n1 1614714018 VBJCDMBLWXCPHG-UHFFFAOYSA-N 332.841 4.222 0 40 EIAB C[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(-n2ccnc2)cc1 1657728519 MWCNEYDPIURVCR-CQSZACIVSA-N 343.377 4.325 0 40 EIAB Cc1cc(NCCc2ccccc2)cc(=O)n1CCc1ccccc1 386689 UZTVHMPTCIGAMM-UHFFFAOYSA-N 332.447 4.054 0 40 EIAB COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1O 417860 NNNOSIXHGFHSIS-UHFFFAOYSA-N 337.423 4.460 0 40 EIAB CCN(CC)C(=O)C[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1 520580 KAOXPSMRKDCCFS-CTNGQTDRSA-N 347.499 4.027 0 40 EIAB CC(=O)Nc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 911973 IRZIAWXQCCRHQG-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB CC(C)N1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 1370273 YRKFSSLTFSMBQS-IRXDYDNUSA-N 335.879 4.255 0 40 EIAB O=C(CN1CCCc2ccccc21)c1ccc(Br)cc1 1664831 ZQNJAZLWNFIUOP-UHFFFAOYSA-N 330.225 4.085 0 40 EIAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1 2713250 DIEURYMJQSHOQK-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB CCCCn1nc(C(=O)Nc2cccc(C)c2C)c2ccccc2c1=O 3313785 HBTXTFMHTNONKT-UHFFFAOYSA-N 349.434 4.066 0 40 EIAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(F)c(F)c1 4120027 FQZPWCGXYHAMLU-UHFFFAOYSA-N 346.402 4.018 0 40 EIAB O=C(/C=C\C(=O)Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 5124636 COWKKVFNJVMJNI-KTKRTIGZSA-N 337.158 4.061 0 40 EIAB C=CNCCc1nc2ccccc2n1CCOc1ccccc1Cl 5235852 SQAKIIXHQJLJNW-UHFFFAOYSA-N 341.842 4.044 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1Cl 5439791 GMCCUVPJVBMWGW-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1 5461521 WJDOSLXJUZHVIZ-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 5682201 RHZVYFJJRYCVMK-JXFKEZNVSA-N 339.435 4.307 0 40 EIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(F)cc1 6506697 UPGLUYFWMKIDTQ-UHFFFAOYSA-N 335.791 4.086 0 40 EIAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 6626206 KFMQCNWQRVWJMP-VIFPVBQESA-N 348.226 4.172 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2CCCC2=O)c1 8139890 ZIHISCCRDWSMGY-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB CCc1cc2c(SCC(=O)c3cc(C)n(C)c3C)ncnc2s1 8390583 DNRLKFCUJUCQDC-UHFFFAOYSA-N 345.493 4.184 0 40 EIAB Cc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 8471221 UTFFWTMWQPFYJT-YHNKWQPZSA-N 341.410 4.444 0 40 EIAB CCc1ccc(C2=NN=C(Nc3ccccc3OC)SC2)s1 11118603 DZXOPHORGPDMHE-UHFFFAOYSA-N 331.466 4.238 0 40 EIAB C[C@H](CN1CCC[C@@H](n2c(=O)oc3ccccc32)C1)c1ccccc1 12119146 QZBANVDLACHLEC-SJLPKXTDSA-N 336.435 4.035 0 40 EIAB Clc1ccc2c(NCCCn3cnc4ccccc43)ncnc2c1 12551714 GFDPNQVKEGTKMC-UHFFFAOYSA-N 337.814 4.135 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 12658736 FMNPCVNWRFPDCA-XKRYSZRTSA-N 328.452 4.483 0 40 EIAB biogenic Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc(-c2nnco2)cc1 12684498 YIWGAJDTSGWNSJ-ZDUSSCGKSA-N 347.374 4.177 0 40 EIAB C[C@H](OCCCNC(=O)c1cc(Cl)ccc1F)c1ccccc1 12896059 HNSQSQQUDCDQRX-ZDUSSCGKSA-N 335.806 4.377 0 40 EIAB O=C(O)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 13389065 PULNQTATFAHHRP-SNVBAGLBSA-N 344.219 4.001 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2ccc(CC)cc2)cc1C 16780609 YDEIPLZPZJRMOO-UHFFFAOYSA-N 333.453 4.065 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 18214565 HYQRTGQFHFUUBF-CYBMUJFWSA-N 335.856 4.016 0 40 EIAB CCN(CC)C(=O)c1ccc(OCCSc2ccccc2)cc1 20495469 XHOCSGJRRYIFAO-UHFFFAOYSA-N 329.465 4.340 0 40 EIAB O=C(Nc1cccc2c1CCCC2)c1cc(Cl)c2c(c1)OCO2 25512362 GRYRNZJOBHBBNC-UHFFFAOYSA-N 329.783 4.200 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc(C)n(CC)c1C)O[C@H](C)C2 27165935 VGLCEIWAPHXPQZ-CYBMUJFWSA-N 342.439 4.099 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 27580850 JPMGRVDDTUCLMO-UHFFFAOYSA-N 338.338 4.244 0 40 EIAB Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 27582034 PZCPZPZBJAZLGJ-QGZVFWFLSA-N 328.481 4.014 0 40 EIAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(SC2CCCC2)cc1 30510313 KOVBUFHOJQWNBN-UHFFFAOYSA-N 329.469 4.324 0 40 EIAB Cc1cc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2[nH]1 31721970 NOFZAIGIDHVVTE-UHFFFAOYSA-N 336.416 4.430 0 40 EIAB COc1ccc(CNC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 32093936 AKQUPQQDJAXSBN-UHFFFAOYSA-N 340.810 4.069 0 40 EIAB CC(C)c1noc(CCC(=O)N[C@@H](c2cccs2)C2CCCC2)n1 32398146 QRVHWMZDOZUAOU-QGZVFWFLSA-N 347.484 4.235 0 40 EIAB COc1cc([C@H](C)NC(=O)CC(C)(C)C)ccc1OCC(F)(F)F 32914577 DIUZCGUVWAIARX-NSHDSACASA-N 347.377 4.250 0 40 EIAB C[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1Cl 35264448 WIVJBYVXXYHBGN-QWHCGFSZSA-N 348.899 4.198 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 36666564 FNYHZXQRYFHXEZ-BMQCOBNYSA-N 339.435 4.157 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2ccsc2)C1 40284862 MRTGEBGYSNZANF-NSHDSACASA-N 331.347 4.336 0 40 EIAB CCCc1cc(=O)n2c3ccccc3n(Cc3cc(C)ccc3C)c2n1 40484804 DUGYKOAIELARMB-UHFFFAOYSA-N 345.446 4.267 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 44886202 ANLIDOVDIWNFRT-LIRRHRJNSA-N 345.414 4.259 0 40 EIAB O=C(CCOCC(F)(F)F)Nc1ccccc1Cc1ccccc1 45281538 XQAKLZHOOWPSQL-UHFFFAOYSA-N 337.341 4.185 0 40 EIAB C[C@@H](NC(=S)N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 53534345 KHHVOZSRDRQLTM-CXAGYDPISA-N 344.455 4.265 0 40 EIAB Oc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 57440571 LEXCSUJMZXOHER-UHFFFAOYSA-N 344.458 4.381 0 40 EIAB CCOC1CCN(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1 71854029 VHDPPLJVVZGKHD-UHFFFAOYSA-N 345.468 4.151 0 40 EIAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72218857 NZPYRXQKQOKJJR-INIZCTEOSA-N 331.460 4.062 0 40 EIAB COc1ccc2nc(NC(=O)c3ccc(-c4ccco4)o3)sc2c1 72259980 HPTAXPGMXNHBCW-UHFFFAOYSA-N 340.360 4.410 0 40 EIAB CCc1nccn1-c1cccc([C@H]2CCCN(Cc3ccccc3)C2)n1 72379090 MHKUUTSFXGSQHI-IBGZPJMESA-N 346.478 4.209 0 40 EIAB O=C(CCOCc1ccccc1)Nc1cc(Cl)ccc1NC1CC1 76093157 JYGUSSCQUINUIU-UHFFFAOYSA-N 344.842 4.460 0 40 EIAB C[C@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccs1 78089335 VBYOVZBABQIPBM-NHYWBVRUSA-N 341.436 4.218 0 40 EIAB Cc1nnc(-c2ccc(C(=O)Nc3cc(F)c(F)cc3Cl)cc2)o1 84291618 PAIMJISWEMNQRQ-UHFFFAOYSA-N 349.724 4.229 0 40 EIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Nc2ccccc2)C1 84553347 WFUXMLXRBIVCBB-FQEVSTJZSA-N 345.446 4.194 0 40 EIAB Cc1ncc(CNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)s1 86371472 VGHNFKMJJFYEFQ-LLVKDONJSA-N 333.432 4.026 0 40 EIAB Cc1ocnc1CNc1nc(C2CC2)nc2sc3c(c12)CCCC3 89556281 XUBRCTFVLUHLAD-UHFFFAOYSA-N 340.452 4.356 0 40 EIAB Cc1ccsc1[C@@H](C)N[C@H](c1ccc(F)cc1)c1nccn1C 95419869 UQPFMVJBRHQYJZ-CZUORRHYSA-N 329.444 4.369 0 40 EIAB CC(C)n1cc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 95473283 DPMKDLGOCOHQMS-UHFFFAOYSA-N 332.407 4.029 0 40 EIAB Cc1ccsc1-c1nc(CS(=O)(=O)c2ccccc2)cs1 96409611 HCFSQOGIDZCOBZ-UHFFFAOYSA-N 335.475 4.154 0 40 EIAB Cc1cccc(N2CCC(N[C@@H](C)c3ccc4ccccc4n3)CC2)n1 96477887 VESCMSXMACLXQU-KRWDZBQOSA-N 346.478 4.258 0 40 EIAB C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 97038609 HOHXJQDGPXEGHS-ZDUSSCGKSA-N 341.459 4.095 0 40 EIAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@@H]2CCCC[C@H]21 105934387 UIQMSGQVYZXARC-GVDBMIGSSA-N 332.513 4.066 0 40 EIAB C[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1c(F)cccc1F 154652192 REBLVEOBRWKINN-JTQLQIEISA-N 344.283 4.059 0 40 EIAB O=C(NCCSC1CCCC1)c1ccc(CN2CCCCC2)cc1 225817894 FCZPKILRFWWBLV-UHFFFAOYSA-N 346.540 4.078 0 40 EIAB COC(=O)c1cc(NC(=S)NC2(C)CCCCC2)ccc1Cl 225861703 IDXLSAHSAMZDCE-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB Nc1ccc(N2CCCC2)c(NC(=O)c2cccc3ccccc23)c1 226255536 QMNMFLBXHLJXCH-UHFFFAOYSA-N 331.419 4.275 0 40 EIAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2F)N1c1ccccc1 408842148 MPASATAAJGKHCF-XMHGGMMESA-N 343.361 4.055 0 40 EIAB Cc1ccc(C(C)(C)C)c(OCc2nnc([C@@H]3CCCOC3)o2)c1F 643650425 WZCAZGOPXZNXGA-CYBMUJFWSA-N 348.418 4.288 0 40 EIAB CN(C)c1ccc(C(=O)NCCc2ccc(-c3ccco3)s2)cc1 2086896699 QDTVCTXNUMZAII-UHFFFAOYSA-N 340.448 4.047 0 40 EIAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(C)cc3C)C2=O)c1 121727 RLWINKWCZYVIEQ-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl 583253 KSHDFNYEABVEKI-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cc1c([C@H](C)OC(=O)Nc2ccc(Cl)cc2)sc2ncnn12 1401960 PEPOPLKSOUMEHJ-VIFPVBQESA-N 336.804 4.062 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 1961933 VCKWAFKQTUUWJE-UHFFFAOYSA-N 345.826 4.433 0 40 EIAB Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3Cl)c2C)no1 3514948 GNNVCTDCTKQFOK-UHFFFAOYSA-N 344.798 4.306 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1Cl 3608431 HFHHQPNBGRCHPK-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB CCCCCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 4073593 PHXAHNHFSUYNBQ-RXVVDRJESA-N 345.483 4.023 0 40 EIAB biogenic CCN(CC)C(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971278 IXVURWOTMPPPCE-UHFFFAOYSA-N 330.428 4.372 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 5126997 BCLWRZLHWYEHRD-UHFFFAOYSA-N 342.435 4.157 0 40 EIAB CCCCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O 5259954 ITMHNOLMYFSGMZ-UHFFFAOYSA-N 333.453 4.381 0 40 EIAB CSc1ccc2nc(NC(=O)CCOc3ccccc3)sc2c1 5299125 QVXIPQGTEWEVEO-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)C12CC3CC(CC(C3)C1)C2 5454374 XMPDUNWAASGIJX-XSVYXWTESA-N 327.468 4.175 0 40 EIAB COC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 6365033 MPMDDOJNNAMSFI-SECBINFHSA-N 348.424 4.151 0 40 EIAB O=C(NC(=S)Nc1ccccc1Cl)c1ccc(Cl)cc1 6513898 SMGAJJILPIKPJN-UHFFFAOYSA-N 325.220 4.120 0 40 EIAB O=C(C[C@H]1C=CCC1)N1CCC(c2nc3ccccc3s2)CC1 8022775 JHBRZUBCYPUQEX-AWEZNQCLSA-N 326.465 4.359 0 40 EIAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCCCCC3)ccc21 8325569 UNBWFXQMAAUSDY-FQEVSTJZSA-N 349.430 4.157 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCSc2ccccc2)cc1 8361310 JCSKHKMVBGKRQB-OAHLLOKOSA-N 331.506 4.384 0 40 EIAB C=Cc1ccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)cc1 12119084 XZUGLSUENHORLW-SFHVURJKSA-N 334.419 4.075 0 40 EIAB CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 12656537 FESUANMRRQPJBN-JFQNMGATSA-N 331.500 4.033 0 40 EIAB biogenic COc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1 12909297 YILRAZZGAHWCQR-UHFFFAOYSA-N 346.633 4.425 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)cc1 12992451 VULCVEUCZRHYHF-NADMHLTPSA-N 327.449 4.306 0 40 EIAB COc1cccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)c1 13570382 HWOGSTRYEDRKTB-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)CCc1ccccc1 13710038 YUINKPJKZWEUBD-CABCVRRESA-N 331.843 4.245 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccc3ncsc3c2)cc1Cl 14122994 DQALZIFSMKFJPY-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB CCSc1nnc(NC(=O)CCSc2ccc(C)cc2)s1 15301386 VWOYLTWWLDRBCO-UHFFFAOYSA-N 339.511 4.079 0 40 EIAB Cc1ccc(OCCOC(=O)c2cccnc2Oc2ccccc2)cc1 16695199 XXAPZGZOUYQJGD-UHFFFAOYSA-N 349.386 4.418 0 40 EIAB Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1cccs1)C2 17066757 PXEXWKMKFZTFEH-LBPRGKRZSA-N 326.396 4.294 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1 20036252 PNPJLGCBFIUQBB-OAHLLOKOSA-N 329.465 4.114 0 40 EIAB COc1cccc([C@@]2(O)CCCC[C@H]2CN(C)Cc2ccccc2)c1 22050982 BDLHYNRDCFWMAA-UNMCSNQZSA-N 339.479 4.205 0 40 EIAB in-vitro CCOc1ccc(C(=O)Nc2ccccc2Br)cc1C 22250633 OERQQRPCXZLIJR-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB COCc1c(C(=O)Nc2ccc3oc(C)nc3c2)oc2ccccc12 24348573 PQGUKLKTQIDAFX-UHFFFAOYSA-N 336.347 4.281 0 40 EIAB CCOc1ccccc1[C@@H](Nc1cccc(Cl)c1)P(=O)(O)O 24769607 SUSIDICMJPCVMH-HNNXBMFYSA-N 341.731 4.027 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cccc(Cl)c1 27663915 QCXVOOGYCYABML-MRXNPFEDSA-N 348.899 4.359 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 27975299 FDHLNSCBTRLPCM-GFCCVEGCSA-N 345.826 4.243 0 40 EIAB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccccc1OC(F)F 31756371 YGKQEUOPTZCRMG-OAHLLOKOSA-N 335.350 4.178 0 40 EIAB Cc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)sc1C 40082478 RGFZUJDHEKNDMB-UHFFFAOYSA-N 328.437 4.134 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 40119688 PIIBTKKDAOHQMW-UHFFFAOYSA-N 345.801 4.417 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2ccccc2F)C1 40285606 XEZZUGQUSITXOR-GFCCVEGCSA-N 343.308 4.413 0 40 EIAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 41123422 NAPJVVXMSAFUIJ-MRXNPFEDSA-N 333.476 4.292 0 40 EIAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccccc3C(F)(F)F)cc12 55671922 RKOVNDQIMHPUNO-VIFPVBQESA-N 349.312 4.041 0 40 EIAB Cc1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)c(C)c1 59475210 MOKBLRHNUWUZBH-CSKARUKUSA-N 329.827 4.165 0 40 EIAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c(O)cc(F)cc1F 64090119 QWLHGHICUDNZCJ-UHFFFAOYSA-N 346.358 4.410 0 40 EIAB COc1ccc(C)cc1NCCC(=O)N1CCC[C@@H]2C[C@H](C)CC[C@H]21 64318831 NDVUPQVGBBBQNP-SZVBFZGTSA-N 344.499 4.233 0 40 EIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1C 64580991 OMQFZVDIZHWWNY-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CCCc1noc([C@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 65477522 FJBBZOLBNSXAGW-ZDUSSCGKSA-N 340.427 4.104 0 40 EIAB Fc1ccc(CN(Cc2ccc(F)cc2)C[C@H]2CCCCN2)cc1 72202940 FKPVCFKQZVADLM-HXUWFJFHSA-N 330.422 4.109 0 40 EIAB Cc1ccc(C)c(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 72265229 OUWRHBCTLXWMTD-UHFFFAOYSA-N 338.451 4.173 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)c(Cl)c2)cc1 72328937 XVHCZXCGUBTZJY-UHFFFAOYSA-N 343.789 4.108 0 40 EIAB CN(Cc1nc(-c2ccccn2)no1)Cc1ccc(Cl)cc1Cl 76176512 IGQKQGYOZDWACC-UHFFFAOYSA-N 349.221 4.070 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCc1ccc2ccccc2n1 79605698 KJKNBAMOWPMABE-UHFFFAOYSA-N 340.426 4.289 0 40 EIAB CO[C@@H](C)c1nc(CNC2(c3nc(C)cs3)CCCC2)cs1 83225677 FCDMQZRDTSGRFW-LBPRGKRZSA-N 337.514 4.175 0 40 EIAB C[C@@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@@H]1c1cccs1 83888726 XNCGDRCCWPSQQK-GDBMZVCRSA-N 347.480 4.234 0 40 EIAB Cc1cc2oc(=O)cc(CN3CC[C@@H](c4ccccc4)C3)c2cc1C 84128968 AQZOIWPKADJPLD-GOSISDBHSA-N 333.431 4.399 0 40 EIAB C[C@@H](CNC(=O)Nc1cccc(F)c1)c1nc2ccccc2s1 84638436 RVNXNFDRJHHBRC-NSHDSACASA-N 329.400 4.361 0 40 EIAB O=C(O)Cn1c(SCc2ccccc2Cl)nc2ccccc21 84652903 RIIALAGYTRAIGJ-UHFFFAOYSA-N 332.812 4.067 0 40 EIAB O=C(NCC[C@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 85436444 JXZBTCPWADFZRD-NRFANRHFSA-N 331.415 4.207 0 40 EIAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nsc3ccccc23)C1 91351477 XGLMLYWYDCVHQT-CYBMUJFWSA-N 347.484 4.132 0 40 EIAB CCCNC(=O)c1cccc(CN[C@H](C)c2ccc3ccccc3n2)c1 95420451 BRIUZWUWKPJIEO-MRXNPFEDSA-N 347.462 4.225 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 96411150 ZWULMDXKCIEODN-WBHUJUFNSA-N 344.480 4.100 0 40 EIAB CN(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CCOCC1 96445918 UZDJHVWUXWSMQF-UHFFFAOYSA-N 326.396 4.122 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1 113970126 HNSLJQDOXHZQBO-FQEVSTJZSA-N 341.451 4.176 0 40 EIAB CCCOc1ccccc1NC(=O)c1cccc(-c2noc(C)n2)c1 130349279 BPDCAHRDWUCAPQ-UHFFFAOYSA-N 337.379 4.086 0 40 EIAB Nc1cc2ccccc2cc1C(=O)N(CCC(F)(F)F)C1CCC1 195542505 CDAFGYBNXYEGBN-UHFFFAOYSA-N 336.357 4.369 0 40 EIAB CC[C@@H](C(=O)NC[C@H](OC)c1ccccc1Cl)c1ccccc1 206849753 ZEGAVYWLAAXUGM-QAPCUYQASA-N 331.843 4.338 0 40 EIAB COCc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC 224397211 ITKDEESCNSLAQN-UHFFFAOYSA-N 340.206 4.401 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccccc2F)cc1 225183084 NMRVBVRSSOBLDQ-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)Cc1ccccc1 225287912 CIXSAIRWUZLTAQ-AWEZNQCLSA-N 331.843 4.245 0 40 EIAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(F)cc1 225354871 WUMJRZHCVOOSCG-UHFFFAOYSA-N 326.198 4.382 0 40 EIAB Cc1cccc(CNC(=S)Nc2ccc(Br)cc2)c1 225426068 AZPFGIUZXOXYRO-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB CC1(C)C[C@@H](NC(=S)Nc2ccccc2F)c2ccccc2O1 225576205 BZBKEWMCQKOUFA-OAHLLOKOSA-N 330.428 4.415 0 40 EIAB Cn1nc(-c2ccccc2F)c2c(C(F)(F)F)cc(Cl)nc21 257197955 OPUQTGIRMDVFFJ-UHFFFAOYSA-N 329.684 4.447 0 40 EIAB CCn1cccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409139609 OMCSCNSNXNTDPZ-SAPNQHFASA-N 340.448 4.177 0 40 EIAB O=C1N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccccc1 409251042 ZPJJHYOLXKLTLP-OQLLNIDSSA-N 347.201 4.086 0 40 EIAB O=C(Nc1ccc(Oc2ncncc2-c2ccccc2)cc1)C1CC1 538146676 BQBYWDAWSWYAAW-UHFFFAOYSA-N 331.375 4.284 0 40 EIAB COC[C@H](C)CC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 585125946 JGLMKMFSWSZIIQ-YJYMSZOUSA-N 347.842 4.033 0 40 EIAB Cc1cc(N2CCO[C@H](c3cccc(Cl)c3)C2)nc(C2CCC2)n1 1612225100 YKWJRBKGNNOMAN-KRWDZBQOSA-N 343.858 4.284 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1OCC 147386 LEZBTFSJHZBRMW-ZRDIBKRKSA-N 325.408 4.444 0 40 EIAB CCOc1cc(C(=O)c2ccccc2OCC)c(OCC)cc1OC 481611 GIQZZPDUZPOIFL-UHFFFAOYSA-N 344.407 4.122 0 40 EIAB Cc1cc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc(C)c1Cl 484280 UJWLBJCSECKQCI-AWEZNQCLSA-N 329.827 4.313 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)Nc2ccccc2OC)c1 1732592 UWZDDCZPLLSISN-UHFFFAOYSA-N 330.384 4.137 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1 3323345 BUYAWYMBNCMSQU-KRWDZBQOSA-N 349.478 4.067 0 40 EIAB COc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)c1 3355071 UWOXSNWNWVVBFF-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB CO[C@H]1N(c2ccccc2)N=C(c2ccccc2)N1c1ccccc1 4262333 ZDSYEVZBXOPWNL-OAQYLSRUSA-N 329.403 4.305 0 40 EIAB CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1 4661205 PNGOFFIYHGTABC-MRXNPFEDSA-N 326.440 4.247 0 40 EIAB COCc1c(C(=O)N[C@H]2CCCc3ccccc32)oc2ccccc12 5442808 CPZLOPSVENLDSL-SFHVURJKSA-N 335.403 4.387 0 40 EIAB CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OCC)c1OCC 6328717 TVOLYDLSHNAQBN-GOEBONIOSA-N 349.471 4.191 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 6506571 UWTSJWFDKZBCDK-UHFFFAOYSA-N 331.828 4.256 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3ccccc3)cc2c1 6521906 HSADJMBMFMVBCP-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cc2ccccc2o1 7851535 JSVDQFYMSUGFAE-UHFFFAOYSA-N 339.420 4.212 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 10715476 ZCEFBAUHIMMODR-INIZCTEOSA-N 327.424 4.497 0 40 EIAB Cc1ccc(OCC(=O)NCCC2=CCCCC2)c2c1[C@@H](C)CC2=O 11052705 LHFMWEZKBDNZBM-HNNXBMFYSA-N 341.451 4.070 0 40 EIAB Cc1nc2ccc(C(=O)N3CCn4cccc4[C@@H]3C(C)C)cc2s1 12325199 IKTSFHAZTQFWQW-SFHVURJKSA-N 339.464 4.259 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)c1 12859741 IKJLQBWVDFQCNI-UHFFFAOYSA-N 325.437 4.219 0 40 EIAB Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 13494960 HTKUUGMIGWTNEJ-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB CCOCCCNC(=O)N1c2ccccc2Sc2ccccc21 13717191 RBBBKFDBOFZHGO-UHFFFAOYSA-N 328.437 4.426 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1OC 13816217 YPRCZJAWRYHIMH-ZDUSSCGKSA-N 330.453 4.060 0 40 EIAB CC(C)N(CCNC(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C 14661675 CVCLVTQQYBTRMH-UHFFFAOYSA-N 338.495 4.131 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1 15934601 XZRMCLAOYHDATQ-HXUWFJFHSA-N 338.451 4.473 0 40 EIAB Clc1ccccc1COc1ccc(CNC[C@H]2CCCO2)cc1 16449871 JOZYBTUUABYQNK-GOSISDBHSA-N 331.843 4.188 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(F)cc2Br)[C@@H]1C 19434882 XOMHVCZHUORLPF-RULNRJAQSA-N 328.225 4.143 0 40 EIAB CCC[C@@H](NC(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccccc1 21929095 WPXWYKSLYSPGPQ-HXUWFJFHSA-N 341.499 4.356 0 40 EIAB COc1ccccc1CCCNC(=O)c1cc2ccccc2cc1OC 22509071 ATQMKMFNLXJMPQ-UHFFFAOYSA-N 349.430 4.220 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 22530317 JVNOJSZXEYOYQE-HNNXBMFYSA-N 343.423 4.035 0 40 EIAB Oc1nc(CN2CC[C@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccc12 23641009 YPFWVAOXGRJEHB-CHWSQXEVSA-N 331.847 4.001 0 40 EIAB Cc1ccc(-c2nc(COc3c(F)c(F)cc(F)c3F)no2)cc1 24928025 KGSXFKQYLMCYGO-UHFFFAOYSA-N 338.260 4.180 0 40 EIAB CN(C(=O)c1ccc(Br)s1)[C@@H]1CCc2ccccc21 27819370 ODMSQTIOQJXZDU-GFCCVEGCSA-N 336.254 4.270 0 40 EIAB C[C@@H](C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)n1cccn1 28246975 QBBPBDVYBCCQJB-ZDUSSCGKSA-N 348.431 4.360 0 40 EIAB O=C(c1c(F)cccc1F)N(Cc1ccc2cc[nH]c2c1)C1CC1 32069625 ZDDGZWHXYFKMQA-UHFFFAOYSA-N 326.346 4.251 0 40 EIAB COC(=O)c1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)cc1 32764934 YTHHDELCPVFNIE-UHFFFAOYSA-N 343.766 4.361 0 40 EIAB CO[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 32833861 JUXGKUYAOXJWBR-OAQYLSRUSA-N 346.430 4.230 0 40 EIAB CCc1noc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1 33012699 YZNHIEVJBUQDJR-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB CC(C)c1nnc2n1N1C(=CS[C@H]1c1c[nH]c3ccccc13)S2 36353248 ODCBUFNOPDCCGV-HNNXBMFYSA-N 341.465 4.171 0 40 EIAB CC(C)C(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 36354014 HBYUVOXWFXDVTB-UHFFFAOYSA-N 348.450 4.041 0 40 EIAB Cc1c(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cnn1C 40033815 HEBGQUOJJGYABR-LJQANCHMSA-N 327.472 4.054 0 40 EIAB C[C@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@H]1CCCO1 40072576 NQQVHHNBDOLNJV-SWLSCSKDSA-N 325.437 4.338 0 40 EIAB C[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1cccs1 40107269 YOZCBFGVCSVOIJ-SNVBAGLBSA-N 327.808 4.187 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(C)c1 40510909 WKGJWKYYGSXNGU-GOSISDBHSA-N 325.452 4.081 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)C1(c2ccccc2)CCOCC1 41749209 JMZVHXWHCCGPNG-UHFFFAOYSA-N 329.827 4.335 0 40 EIAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCCCCCC1 44873265 XUCGAYBDBALSHU-UHFFFAOYSA-N 327.403 4.371 0 40 EIAB Nc1c(C(=O)Nc2ccc(F)cc2)sc(=S)n1-c1ccccc1 55104285 KBCAZFVHYAXMQS-UHFFFAOYSA-N 345.424 4.242 0 40 EIAB CC[C@@H](C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 57142914 WGBOXHUGMHGKEO-CQSZACIVSA-N 335.403 4.410 0 40 EIAB biogenic O=C(CCc1ccc(F)cc1)NCCSc1ccc(Cl)cc1 60958528 CGKVRHDIXQOUPT-UHFFFAOYSA-N 337.847 4.320 0 40 EIAB CSc1ccsc1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 69490524 WKBSHELRQYDMHA-UHFFFAOYSA-N 349.481 4.252 0 40 EIAB Cc1nc(C2(NCc3ncc(C(C)(C)C)o3)CCCCCC2)no1 69707749 YOTASZDXIOZBPB-UHFFFAOYSA-N 332.448 4.003 0 40 EIAB COc1ccc(-c2cc(-c3ccccc3Cl)nc(N)n2)c(OC)c1 71977489 FIEDXGMUJIBVKJ-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB O=C(O)C1=NN(c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 71979044 YMEFJDDWAXNMDN-CQSZACIVSA-N 335.190 4.385 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C 72215023 YWXTXBJNELYTDR-INIZCTEOSA-N 333.476 4.390 0 40 EIAB Cc1nc(N2CCc3ccccc3C2)ccc1C(=O)c1ccccc1 72224930 XIXSTIRUKFCVKE-UHFFFAOYSA-N 328.415 4.184 0 40 EIAB Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccccc4)C3)o2)s1 72390089 JHSQZSNCRFPILO-MRXNPFEDSA-N 339.464 4.486 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)OC(=O)c2nccc3ccccc23)c1 73091326 RWKOUFJHGRDCPT-CYBMUJFWSA-N 334.375 4.111 0 40 EIAB CC(C)c1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)on1 86398901 LQGOAYKVKFPZNU-CYBMUJFWSA-N 345.418 4.372 0 40 EIAB O=C(Nc1ccccc1Cl)c1cc(OCc2ccccc2)no1 90610016 UHQVXGBDXRXZFT-UHFFFAOYSA-N 328.755 4.159 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)C1 100746621 MHXKZCNHVYKVPQ-DJJZHVJBSA-N 331.500 4.199 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3ncncc3c2)C1 109710549 DKZBMEZDOSJFDM-HNAYVOBHSA-N 340.496 4.227 0 40 EIAB O=C(O)c1cn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12 216954751 JQUDFRLTRJAZQS-UHFFFAOYSA-N 334.158 4.335 0 40 EIAB Cc1ccc(CCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218922841 ZAANEAUQHJEANP-UHFFFAOYSA-N 345.870 4.393 0 40 EIAB Cc1ccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225082140 MCEIKLXEVSRFSF-CQSZACIVSA-N 325.191 4.377 0 40 EIAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 225303739 DFOLJTZUAQKBTJ-UHFFFAOYSA-N 344.842 4.050 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2)c1C 225454175 FXBBCVNKDQSAKS-UHFFFAOYSA-N 328.437 4.289 0 40 EIAB CCCO[C@@]1(C(=O)Nc2cnc(OCC)c(C)c2)CCC[C@@H](C)C1 225911427 ODFOMIZOIGHLKR-KUHUBIRLSA-N 334.460 4.103 0 40 EIAB CCSc1ccccc1C(=O)NCc1ccnc(-c2ccncc2)c1 390828769 UEFPTHUSMFWQAE-UHFFFAOYSA-N 349.459 4.186 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 408978604 JIQWINDOUSJODH-INIZCTEOSA-N 346.814 4.156 0 40 EIAB COc1ccc(CCc2nc(-c3ccc4[nH]ccc4c3)no2)cc1OC 547022980 WAOKSJXAGFWBPN-UHFFFAOYSA-N 349.390 4.020 0 40 EIAB CSc1ncccc1C(=O)N[C@@H](c1ccsc1)c1cccs1 824959796 VNEVDHAXTZXQDS-AWEZNQCLSA-N 346.502 4.446 0 40 EIAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnc(O)c2ccccc12 1652530695 UVFOFNCNASNANE-ZBFHGGJFSA-N 336.410 4.458 0 40 EIAB Cc1cc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)no1 416366 HVDMGHZFSDDOPA-UHFFFAOYSA-N 341.436 4.187 0 40 EIAB Cc1cc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2ccccc12 419598 JZXFDOGDYOWSJZ-GASCZTMLSA-N 328.481 4.425 0 40 EIAB Clc1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1 426448 VNDQPSBATCLKPS-UHFFFAOYSA-N 349.825 4.124 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cccc(Cl)c1 513716 GRFSGULMPVEXNG-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB CCOc1ccc(-c2nnc3sc(-c4cccc(C)c4)nn23)cc1 530428 QGSDARDCOQLVRP-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CC1(C)CC(=O)c2sc(NC(=O)Cc3ccc(Cl)cc3)nc2C1 795407 GAKFFGJJIYQPRB-UHFFFAOYSA-N 348.855 4.133 0 40 EIAB CCN(C(=O)c1sc2nc(C)cc(C)c2c1N)c1cccc(C)c1 950138 GPJSEFHXKRBRFH-UHFFFAOYSA-N 339.464 4.470 0 40 EIAB Cc1cccc(Nc2ncccc2C(=O)NCCc2ccccc2)c1C 1340557 SWODPJQZULUYPR-UHFFFAOYSA-N 345.446 4.415 0 40 EIAB O=Cc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1 2513887 OCJAGRYUKAWYQD-UHFFFAOYSA-N 346.382 4.435 0 40 EIAB in-vitro O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCC1 2515621 OGAVKDGYZRFLAX-UHFFFAOYSA-N 348.215 4.025 0 40 EIAB O=C(OC1c2ccccc2-c2ccccc21)[C@H]1COc2ccccc2O1 2624840 VMSNSMZSBHXOAS-HXUWFJFHSA-N 344.366 4.140 0 40 EIAB O=C(O)C[C@H](NC(=O)CCC1CCCCC1)c1ccccc1Cl 3399351 WSFFMRPPFDIXIY-INIZCTEOSA-N 337.847 4.333 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1-c1ccccc1 4050398 ZNYFYVRZMXAXBU-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc(F)cc2)c1 4120315 BUXHCTWHAYUWEY-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB CCOc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340074 QXFMQWWLMMJPRX-UHFFFAOYSA-N 340.375 4.184 0 40 EIAB biogenic Cc1ccc(-n2ncc3c(NCc4ccc(Cl)cc4)ncnc32)cc1 4354950 ZGXXGWSLVKPGTE-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SC)cc1Cl 4514879 BHFKADUENBYPHG-UKTHLTGXSA-N 348.811 4.048 0 40 EIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)ccc2OC)cc1 5347971 ONUCFFYNNHTXJC-CQSZACIVSA-N 343.423 4.235 0 40 EIAB C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1 5348060 RTOVSWPWNYKPES-SLYNCCJLSA-N 331.500 4.061 0 40 EIAB COc1ccccc1-c1c(C)nn2c(NCCC(C)C)cc(C)nc12 5348534 ZGXQEXVDMNDLBB-UHFFFAOYSA-N 338.455 4.480 0 40 EIAB COc1cc(SC)ccc1C(=O)N[C@H]1CCCc2ccccc21 5442954 XJSJKZYEQHTKFU-KRWDZBQOSA-N 327.449 4.225 0 40 EIAB CC(C)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5476423 ZDVYJAKHRXVRCD-UHFFFAOYSA-N 327.468 4.274 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 5559063 IPFPGYRCNIVGBE-GFCCVEGCSA-N 342.395 4.355 0 40 EIAB Cc1cc(OCC(=O)NCc2ccccc2Cl)cc(C)c1Cl 5924559 ASYWIJFDBTZNRI-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB O=C(CSc1ccc(F)c(Cl)c1)N1CCC(c2ccccc2)=N1 7719151 GKPNBSXSFBYQOQ-UHFFFAOYSA-N 348.830 4.208 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(Cl)c1 8560794 AAMASGAQGMZHRJ-UHFFFAOYSA-N 331.799 4.466 0 40 EIAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1cccc2ccccc12 8710171 VYKUWIVVDMRMQT-CYBMUJFWSA-N 337.448 4.491 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 9114156 IZNLCBZOEKSMTK-LBPRGKRZSA-N 328.462 4.292 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 9114157 IZNLCBZOEKSMTK-GFCCVEGCSA-N 328.462 4.292 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)no1 9204335 PNMNYQGPAQQBKX-UHFFFAOYSA-N 339.420 4.238 0 40 EIAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccco1 9659969 KGISXMLHZKDLGK-UHFFFAOYSA-N 349.317 4.444 0 40 EIAB biogenic COc1ccc(C)cc1CN(C)C(=O)Cc1ccc2ccccc2c1 9918617 VTULZEGBMGJZCL-UHFFFAOYSA-N 333.431 4.358 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2OC(F)F)o1 10115089 FCSVQMZXZJTPCU-DERGHVRDSA-N 347.361 4.334 0 40 EIAB COc1ccc2cc(CNC(=O)N(C)Cc3ccccc3)ccc2c1 10495002 DADWKGDIIJYAFJ-UHFFFAOYSA-N 334.419 4.190 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccc2c1CCC2=O 11100670 LDCMPWCFZSFXQM-GFCCVEGCSA-N 343.810 4.183 0 40 EIAB Cc1c(C(=O)NCCCN2Cc3ccccc3C2)oc2c(C)cccc12 12193306 QMVDUSINOZTPBY-UHFFFAOYSA-N 348.446 4.185 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccsc1 12525248 PHWQZUAUTFOTCN-UHFFFAOYSA-N 325.418 4.377 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1[C@H]1CCC[C@H](C(F)(F)F)C1 12538944 MRRLFRUHBSEITB-UWVGGRQHSA-N 328.359 4.353 0 40 EIAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C(C)C)cc1 12783899 QUULVUQYBKNPFR-UHFFFAOYSA-N 337.419 4.190 0 40 EIAB CC(C)c1nnc(SCCOc2cccc(Br)c2)o1 12815411 VCYBSTJRGCYYSP-UHFFFAOYSA-N 343.246 4.127 0 40 EIAB Cc1cc(-c2cnc(NCc3ccco3)nc2-c2ccoc2C)on1 13226701 YVOUESLVAUSXHE-UHFFFAOYSA-N 336.351 4.214 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3F)ccc2c1 14244473 GMECELKQGFEZNO-AWEZNQCLSA-N 337.394 4.407 0 40 EIAB O=c1c2sc(-c3ccccc3)cc2ncn1Cc1cccc(F)c1 14366082 ABUBXUWRFGUQFS-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CCOc1ccc(OCCC(=O)N[C@H](C)c2ccccc2Cl)cc1 15561767 VVJPARSEONYGIB-CQSZACIVSA-N 347.842 4.385 0 40 EIAB COC(=O)c1ccccc1N(C)C(=O)Nc1cccc2ccccc12 16188851 SCRYDRXTWQJLAR-UHFFFAOYSA-N 334.375 4.295 0 40 EIAB Clc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cccc23)cc1 16430958 KNJWHYWZJZOTKI-UHFFFAOYSA-N 330.178 4.117 0 40 EIAB CC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 16740326 LTDNIELNGZYXAH-UHFFFAOYSA-N 339.391 4.198 0 40 EIAB C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1ccccc1CC21C(=O)CC(C)(C)CC1=O 16957108 WEOIUSWZPPNLHG-SXGZJXTBSA-N 339.479 4.038 0 40 EIAB O=C(COc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 22328308 MOGFUCNZTSUZLK-UHFFFAOYSA-N 343.854 4.200 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1Cl 22522142 XZIBYEWJNCDZNU-HNNXBMFYSA-N 345.870 4.419 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccccc2F)cc1 24064928 YRGQJWJRDAJYAR-CQSZACIVSA-N 331.456 4.499 0 40 EIAB O=C1C[C@@H](C(=O)Nc2ccccc2-c2cccs2)c2ccccc2N1 25002297 AAAFCGNWJFDCRS-OAHLLOKOSA-N 348.427 4.480 0 40 EIAB Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c1C 25388566 RKOLAZBWQAYMRB-UHFFFAOYSA-N 328.412 4.442 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2csc(C)n2)c1 28251580 LFJLOUKZVIUQPL-AWEZNQCLSA-N 346.496 4.010 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1cccc2c1CCCC2 28795095 VQCIHEBAOBBBLM-OAHLLOKOSA-N 338.451 4.322 0 40 EIAB C[C@H](Cn1cccn1)Nc1nc(-c2cccs2)nc2ccccc12 29624299 YLLCIGIAJIJWIC-CYBMUJFWSA-N 335.436 4.055 0 40 EIAB O=C(CNc1cccc(OC2CCCC2)c1)Nc1cc(F)ccc1F 29943715 JKOXXDSMTIAJCO-UHFFFAOYSA-N 346.377 4.337 0 40 EIAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 32416180 OTBWSBUAAPVIJB-QZTJIDSGSA-N 342.483 4.148 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F 32837413 RDQZOQFRZMQKAM-AWEZNQCLSA-N 339.313 4.381 0 40 EIAB CC(C)c1noc2ncc(C(=O)Nc3cccc4c3CCCC4)cc12 32871961 ULQLQNVFIWRNOD-UHFFFAOYSA-N 335.407 4.477 0 40 EIAB Cc1nc(C)c2c(N)c(-c3nc4ccccc4n3C(F)F)sc2n1 32934887 NIDSUBRHXJQYQC-UHFFFAOYSA-N 345.378 4.302 0 40 EIAB CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 40089872 JIGBOAKWVVIGKD-UHFFFAOYSA-N 342.226 4.461 0 40 EIAB S=c1[nH]c(-c2cccs2)nn1CN(Cc1cccs1)C1CC1 43751521 IVBRNYLCSQZYGA-UHFFFAOYSA-N 348.522 4.353 0 40 EIAB C[C@@H](NCc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1 48709600 GKEGQBZULHSFQH-GFCCVEGCSA-N 330.378 4.164 0 40 EIAB Cc1cc(C(=O)CN2CC=C(c3ccccc3)CC2)c(C)n1C1CC1 57327030 NABRJFQGYMBMSC-UHFFFAOYSA-N 334.463 4.412 0 40 EIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CC2)nc1 72213774 JORONXIFOFHBDU-SFHVURJKSA-N 337.423 4.130 0 40 EIAB Cc1cc(-c2cnc(N3CCCC3)nc2-c2sccc2C)on1 72337273 JKBWGGKSWWUQAY-UHFFFAOYSA-N 326.425 4.077 0 40 EIAB Cc1nc(NC(=O)Cc2cn(C(C)C)c3ccccc23)sc1C 72403995 VERZBJVEZRPALV-UHFFFAOYSA-N 327.453 4.477 0 40 EIAB CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1C 79183165 MHTGZLONLKAUDQ-JKSUJKDBSA-N 340.398 4.143 0 40 EIAB CC[S@@](=O)c1ccccc1NC(=O)c1oc2ccc(C)cc2c1C 80344466 NHWFLJUACQMTLL-DEOSSOPVSA-N 341.432 4.429 0 40 EIAB Cc1sc2ncnc(N3CC=C(c4ccc(O)cc4)CC3)c2c1C 84065508 JLLDBWNKDJYQAK-UHFFFAOYSA-N 337.448 4.307 0 40 EIAB C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCSCC1 96473559 PPHYQECSUDDGNK-SECBINFHSA-N 344.267 4.153 0 40 EIAB Cc1nc(CSCCC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cs1 105776279 BLACEIPSLQSOND-KKUMJFAQSA-N 338.542 4.017 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccccc2Cl)cc1 113969468 KJEORZKPTSRFLI-GOSISDBHSA-N 331.843 4.376 0 40 EIAB C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccsc1 125344172 GDMSEECWCKZBHA-OLMNPRSZSA-N 344.480 4.071 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222850671 RFSJGLUWJBIUAQ-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSC1CCCC1 223075686 RFZWYSRFWQTHQX-KRWDZBQOSA-N 335.513 4.253 0 40 EIAB Cc1ccc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1C 223159148 BVXJAGJBFZNKLT-UHFFFAOYSA-N 336.435 4.002 0 40 EIAB Cc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C 224932969 DXCVROQNMDIDHW-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB CCOc1ccc(CNC(=O)c2ccc(C)cc2Cl)cc1OCC 225000750 VBGWXJSWBVDSJZ-UHFFFAOYSA-N 347.842 4.376 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(OC)c(C)c1 225055862 FTFJHNORUKGFCZ-YJBOKZPZSA-N 327.424 4.038 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 225595209 CSGBCDVNQLSTGP-KRWDZBQOSA-N 335.444 4.200 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)ccc1F 225605306 NWYFBOCSZOTAPD-GOSISDBHSA-N 335.444 4.200 0 40 EIAB O=C(NCc1ccnc(-c2ccco2)c1)c1cc2ccccc2s1 225656857 SDNPTULTYJLWJG-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CCc1nc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2n1C 225896575 LJHNADGDQSDGTD-UHFFFAOYSA-N 327.815 4.350 0 40 EIAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1Cl 226346991 VPRVNCXGHKKMBS-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCn3ccnc3C2)c1 390835614 SLOQCUVULJBMSZ-UHFFFAOYSA-N 348.406 4.032 0 40 EIAB CC1(C)CCC(N2CCC(O)(COc3ccc(F)cc3)CC2)CC1 585282093 XRYXXQYHDSZVOC-UHFFFAOYSA-N 335.463 4.000 0 40 EIAB Cc1cc(F)c(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 952885636 FHXOUWVEEDHRKS-HUUCEWRRSA-N 340.826 4.257 0 40 EIAB CC(=O)O[C@H]1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)C1(C)C 118694 UAUUBSHOVAJNJQ-MOPGFXCFSA-N 339.391 4.213 0 40 EIAB C[C@H]1CN(C)[C@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 183898 STYAGPHRIVPVTJ-QKLQHJQFSA-N 337.463 4.090 0 40 EIAB CC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 561052 AGBVJYSYMBJSGW-UHFFFAOYSA-N 339.778 4.301 0 40 EIAB COc1ccc(NC(=O)c2cccc(Cl)c2)cc1Br 570584 JQLLFDHIBIRVAM-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB Cc1cc(Br)c(Br)c(Br)c1 2012396 WXXWZBRTZPAFSP-UHFFFAOYSA-N 328.829 4.283 0 40 EIAB in-vitro FC(F)(F)c1cnc(SC(=S)N2CCCC2)c(Cl)c1 2543502 PHUSVYXGXDLVPV-UHFFFAOYSA-N 326.796 4.227 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c(C)c1 2713209 FBESLPGINDQHOO-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 2721339 AWGIOIKEGLPENK-NSHDSACASA-N 345.805 4.074 0 40 EIAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(Br)c1 2744214 BLPLELQJAAEKGK-KBPBESRZSA-N 330.225 4.500 0 40 EIAB CCCNC(=O)OC[C@]12CO[C@@H](c3ccco3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 4026284 RHJNFYSWNCBAHO-KHDPWXAISA-N 347.455 4.322 0 40 EIAB CCCCc1c(O)c(C(=O)c2ccccc2)c(-c2ccccc2)[nH]c1=O 4114594 LJIZZQOSBQDGNC-UHFFFAOYSA-N 347.414 4.321 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2cccc(Cl)c2)c1 4120204 PVEJUKOXQRSWEK-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CCN1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2CCCCC2)C1 4404244 STKLCHRMHCBUCQ-UXHICEINSA-N 329.484 4.378 0 40 EIAB COc1ccc([C@@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1F 4772785 MYLHJWVTMYGUNH-WIYYLYMNSA-N 343.442 4.137 0 40 EIAB CSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 4862829 KEOBDGORDUEDKL-UHFFFAOYSA-N 331.466 4.121 0 40 EIAB COc1ccc(CN2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1 4966622 JALXFWYMEFQGON-UHFFFAOYSA-N 343.854 4.444 0 40 EIAB Cc1ccc(C(=O)[C@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6085422 FYOPHFMPNXOULU-HILYYZTDSA-N 326.436 4.326 0 40 EIAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 6510489 PTKWIVKBDWUOTQ-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB O=Cc1cn(Cc2cccc(F)c2)c2ccc(Br)cc12 6615140 QAMLOFFWDLNKQS-UHFFFAOYSA-N 332.172 4.404 0 40 EIAB Cc1csc(N(C(=O)c2cnc3ccccc3n2)c2ccccc2)n1 6649105 HANHNHSIGHPPDZ-UHFFFAOYSA-N 346.415 4.373 0 40 EIAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(C)o2)cc1 6747379 GHERKFOHYGKJJW-UHFFFAOYSA-N 325.364 4.032 0 40 EIAB O=C(c1cnc2ccccc2n1)N(Cc1ccccc1)Cc1ccco1 6880078 YLFGLRVCSCZGIQ-UHFFFAOYSA-N 343.386 4.065 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1Cl 7706327 HRPIWPVWFQHOSP-UHFFFAOYSA-N 334.784 4.317 0 40 EIAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCCC1 7989530 PMRGCTUDWSSZPY-AWEZNQCLSA-N 348.796 4.418 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)cs1 8342624 MTJMOUITGKZDKE-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 8560866 HUKVPZHFWWCKCU-UHFFFAOYSA-N 341.407 4.293 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)C2CC2)s1 9676924 WZPCGSMHHQPMMX-UHFFFAOYSA-N 334.828 4.311 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccccc1Cl 11917259 HSCSMHKHFVDULP-LJQANCHMSA-N 344.886 4.461 0 40 EIAB COc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1O 12604681 TUDADWWUHUODCR-HXUWFJFHSA-N 343.386 4.390 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(Br)cc3F)ccc2o1 12755829 ZDHXQRQTYRERBP-UHFFFAOYSA-N 349.159 4.290 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3C)c(=O)oc2c1 12778147 GTVBOTZFHBADFK-UHFFFAOYSA-N 335.403 4.290 0 40 EIAB CN(Cc1ccccc1)c1nc(-c2ccncc2)nc2ccccc12 12812045 MYRIZOUDJQYRKF-UHFFFAOYSA-N 326.403 4.328 0 40 EIAB COC(=O)c1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1Cl 12893729 LGVLQKMUFGZCAO-OAHLLOKOSA-N 343.810 4.185 0 40 EIAB CC(=O)c1cccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 13141375 MMFGZLGMAHOFMZ-UHFFFAOYSA-N 332.403 4.235 0 40 EIAB COc1ccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)cc1 16954138 IVCYEATXYODJDA-UHFFFAOYSA-N 327.359 4.065 0 40 EIAB Cc1nc2ccc(NC(=O)[C@H](C)n3ccnc3C(C)C)cc2s1 19286583 OTGRUKOPFGYUAX-NSHDSACASA-N 328.441 4.124 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)c(N)c2)ccc1Br 19428353 CKNGZXMTPNFOTC-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB O=C(NCCCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 22695608 OVXOJSMKUXVDAU-UHFFFAOYSA-N 346.858 4.206 0 40 EIAB CCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 24441457 VHWHLSYCHMCMIL-SFHVURJKSA-N 336.435 4.225 0 40 EIAB Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 26781117 OBRMJGDRGTWSPH-PKOBYXMFSA-N 341.495 4.383 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCc2ccccc21 29483155 GXFMNXUKLWXDFV-KRWDZBQOSA-N 332.806 4.037 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc2ccc(Br)cc2[nH]1 32755166 CBNMUDMDZCGMPE-UHFFFAOYSA-N 343.224 4.203 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1 36359267 PBFMIHKGHTUHNS-HNNXBMFYSA-N 325.318 4.274 0 40 EIAB CC(C)(C)c1nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2o1 40081625 PRPIDICEERFESX-UHFFFAOYSA-N 338.363 4.106 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 43861121 FBMLBYJYBCFLLB-CYBMUJFWSA-N 341.455 4.073 0 40 EIAB COc1cc([C@H](C)NC(=O)c2occc2C)ccc1OC1CCCC1 48340465 UAMDIRRDFCXQOC-AWEZNQCLSA-N 343.423 4.409 0 40 EIAB COc1ccc(N)cc1NC(=O)c1sc2ccccc2c1Cl 57340169 BDUYCFJODAPZKR-UHFFFAOYSA-N 332.812 4.398 0 40 EIAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCCc2ccccc21 57412170 YBGVNPZVTGODDK-UHFFFAOYSA-N 337.810 4.323 0 40 EIAB Cc1c(Cl)c(COC(=O)c2ccnc(F)c2)nc2ccccc12 64731377 CGMCBVLZKOIKSJ-UHFFFAOYSA-N 330.746 4.088 0 40 EIAB COc1ccc(NC(=O)CCn2ccc3ccccc32)c2cccnc12 65871000 RLGPZBNEGQXNHP-UHFFFAOYSA-N 345.402 4.227 0 40 EIAB CN(CC(F)(F)F)C(=O)c1csc(-c2ccccc2Cl)n1 66305378 WXPZFNBVVOTSAJ-UHFFFAOYSA-N 334.750 4.098 0 40 EIAB O=C(c1ccnc(Oc2ccccc2)c1)N(Cc1ccccn1)C1CC1 69348979 VOANCYJRRDRJLD-UHFFFAOYSA-N 345.402 4.074 0 40 EIAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cc(Cl)ccc1Cl 69484216 SARGVRLICKKDAB-UHFFFAOYSA-N 333.178 4.031 0 40 EIAB O=C(c1cccc(C[S@@](=O)CC2CCCCC2)c1)N1CCCCC1 77478554 HCIMDIUSHNNOJA-XMMPIXPASA-N 347.524 4.142 0 40 EIAB CCCc1nc([C@@H](Nc2nc3ccccc3o2)c2ccccc2)no1 79111662 PIEGBCFCZMGETB-KRWDZBQOSA-N 334.379 4.365 0 40 EIAB C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1nc(C(C)(C)C)no1 80560130 HSMJCRPKQIVUPJ-RYUDHWBXSA-N 348.472 4.036 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C 83836722 OLQYMNSEXAMKLL-UHFFFAOYSA-N 339.399 4.182 0 40 EIAB Clc1cc(-c2nc(-c3ccc(Br)cc3)no2)ccn1 89262838 UVZFJERCGMBTKR-UHFFFAOYSA-N 336.576 4.215 0 40 EIAB Cc1nc(CC(=O)N2CCCc3cc(Cl)cc(Cl)c32)cs1 89709070 PDLIZPWPRMJJBD-UHFFFAOYSA-N 341.263 4.280 0 40 EIAB Fc1cc(CNCc2coc(-c3ccccc3)n2)ccc1OC(F)F 95437389 YGZIBRIUSVAXHX-UHFFFAOYSA-N 348.324 4.372 0 40 EIAB O=C(Nc1cccc(-c2ncco2)c1)c1c(F)c(F)cc(F)c1F 95973822 IMXCGXILRVKOJE-UHFFFAOYSA-N 336.244 4.150 0 40 EIAB CO[C@H]1CCCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C1 96122471 UCLGGEGQYPGHTK-SFHVURJKSA-N 349.434 4.035 0 40 EIAB c1ccc(Cc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193837 HLBGZOPXAZDWEG-UHFFFAOYSA-N 332.388 4.190 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Cc1ccc(C(F)F)cc1 185490581 ROEDATMHKPFMSG-UHFFFAOYSA-N 330.783 4.393 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1OC 224852420 IQKBKFQJVYTKAE-BBRMVZONSA-N 347.842 4.383 0 40 EIAB CCCNC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225463488 AHZZDGNOYBYPPW-UHFFFAOYSA-N 347.871 4.289 0 40 EIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1cc(C)cc(C)c1 225785167 CLFDTKDSNHJUML-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB CSCCCCC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 252481892 CUTVDJHZDDZOLY-UHFFFAOYSA-N 346.418 4.036 0 40 EIAB Cc1cnc([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)s1 257276336 NTGPEKUBLPLUHT-ZDUSSCGKSA-N 332.494 4.022 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(C)cc(C)c2)CC1 408707705 CJKKSWGDBFDMMP-UHFFFAOYSA-N 344.499 4.353 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(C)cc3C)co2)cc1 523699658 XMPZZFOVYMANRX-UHFFFAOYSA-N 334.419 4.239 0 40 EIAB COC(=O)CCCC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360482 HUAMIKIRMGTSDU-UHFFFAOYSA-N 342.235 4.250 0 40 EIAB O=C(COc1ccccc1)N[C@H](c1ccsc1)c1cccs1 575414706 JSIOCPDKUAHMCW-QGZVFWFLSA-N 329.446 4.094 0 40 EIAB CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 453716 MYTSFGKLUDUZTP-BUHFOSPRSA-N 332.403 4.424 0 40 EIAB Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(Cl)cc1 496384 KUYNWLJRQAMQOB-UHFFFAOYSA-N 347.802 4.492 0 40 EIAB CC(=O)c1sc2ccccc2c1OC(=O)COc1ccccc1C 503411 RWWYMXXVVIUEEM-UHFFFAOYSA-N 340.400 4.397 0 40 EIAB CCSCc1ccc2oc(C(=O)OCCN(CC)CC)cc2c1 2335263 FYCFSLAYGZBWCD-UHFFFAOYSA-N 335.469 4.185 0 40 EIAB COc1ccc(CCC(=O)c2ccc(Br)c(F)c2)cc1 2516567 FFTIZOIAMGJZPS-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB Cc1ccccc1-c1nnc(SCC(=O)c2cc(F)ccc2F)o1 3363150 LDEKTMIYJXKALW-UHFFFAOYSA-N 346.358 4.298 0 40 EIAB Cc1csc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 3413862 UNZBUOZWYPTHHQ-UHFFFAOYSA-N 333.265 4.489 0 40 EIAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)c1ccc(C(C)(C)C)cc1 3520957 OZNLWGDVCCWQOD-GFCCVEGCSA-N 345.826 4.461 0 40 EIAB COc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1 4078454 YZNJDEFKEOAFGO-UHFFFAOYSA-N 342.355 4.238 0 40 EIAB aggregator CCCCc1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 5243020 UPQYALFIRDDABS-UHFFFAOYSA-N 341.267 4.286 0 40 EIAB CC[C@H](C)CNCCCCCNc1cc(OC)cc2cccnc12 5846368 NIVAWDJSAYOWEW-INIZCTEOSA-N 329.488 4.461 0 40 EIAB Cc1cc(C(=O)CSc2nnc(C)n2C2CCCCC2)c(C)n1C 5865626 LETPQVNMYSOTJN-UHFFFAOYSA-N 346.500 4.022 0 40 EIAB COc1ccccc1CNC(=O)c1ccccc1Cc1ccccc1 6288763 GAFQSNOEUVIHFL-UHFFFAOYSA-N 331.415 4.216 0 40 EIAB CC(=O)c1sc(NC(=O)c2cc3c(F)cccc3s2)nc1C 6880439 BTFKTYIGUUBAJW-UHFFFAOYSA-N 334.397 4.260 0 40 EIAB COc1ccc([C@@H](NC(=O)c2cc(C)oc2C)c2ccccc2)cc1 6881883 CYVIKFLSYJLHJL-FQEVSTJZSA-N 335.403 4.424 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1 7641351 DCRBCHHMDRWOMR-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB c1cn(-c2ccc(Oc3ncnc4sc5c(c34)CCC5)cc2)cn1 7725581 OUDIXSXYYLDPJB-UHFFFAOYSA-N 334.404 4.158 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 8041265 JXXWOOFUFXKQFV-GOSISDBHSA-N 329.827 4.082 0 40 EIAB COc1ccc2oc(-c3cccc(NC(=O)C(F)(F)F)c3)nc2c1 8053991 YANIRFCKGQOCPY-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2n1 8073453 PWQZJFBQQSIYJG-UHFFFAOYSA-N 328.415 4.473 0 40 EIAB CCN(CC)c1ccc(C(=S)NCCc2ccc(OC)cc2)cc1 9188121 NTQGIZRKRGNOLP-UHFFFAOYSA-N 342.508 4.049 0 40 EIAB Cc1cccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)c1 9196382 RKPKIMSDIQHACT-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Clc1ccc(-c2ccc(CNCC3CCNCC3)o2)c(Cl)c1 10434580 MWYSGWAOVIRUJZ-UHFFFAOYSA-N 339.266 4.343 0 40 EIAB O=C(CSCc1nc2ccccc2s1)N1CCc2ccccc21 11101567 LUPKBDASZGZFHK-UHFFFAOYSA-N 340.473 4.119 0 40 EIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(Br)c1)C2 12618217 CQAIECOEXRLLDF-OAHLLOKOSA-N 348.265 4.413 0 40 EIAB CCCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12628437 RAFPBZYUNFSKDB-IBGZPJMESA-N 349.434 4.329 0 40 EIAB CCCn1c(NC(=O)[C@H]2Cc3ccccc3S2)nc2ccccc21 12804759 LOBHMWPKIMPHSE-QGZVFWFLSA-N 337.448 4.102 0 40 EIAB CSc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 12822391 TVSRHNXDUBATCC-UHFFFAOYSA-N 340.452 4.295 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 12922755 NEMDARSPMGQNQX-CXAGYDPISA-N 328.843 4.253 0 40 EIAB CC(C)(C)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12977925 ASTLDBSGWNGJAE-UHFFFAOYSA-N 344.480 4.194 0 40 EIAB CCOc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3 13207238 FKYWHTBEJFSTLP-UHFFFAOYSA-N 325.412 4.247 0 40 EIAB CCc1cccc2cc(CNc3ccc(OC(C)C)cc3)c(=O)[nH]c12 13561940 LXYQMNZNNXSGHX-UHFFFAOYSA-N 336.435 4.490 0 40 EIAB C=C=Cn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 14095562 AYBOJLMEGRJKNR-QGZVFWFLSA-N 343.430 4.429 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1Cl 14124042 URCQOJMKZVYKRP-NSHDSACASA-N 348.855 4.418 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2ccc(C)c(C)c2)c(F)c1F 14258162 KGPKOONMMWKVJW-UHFFFAOYSA-N 327.277 4.121 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15010139 RMAWHYXMHFKRNK-YBEGLDIGSA-N 327.380 4.371 0 40 EIAB C[C@@H](NC(=O)Cc1scnc1-c1cccs1)c1ccccc1 15840247 QMBMNTDPZALJIL-GFCCVEGCSA-N 328.462 4.292 0 40 EIAB Cc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1 17051478 CHHCZXHHYULOLC-UHFFFAOYSA-N 343.430 4.137 0 40 EIAB CSc1ccc([C@H](C)NC(=O)COc2c(C)cccc2C)cc1 20025510 NUGBPKPYXWBAFD-HNNXBMFYSA-N 329.465 4.282 0 40 EIAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2ccccc2[nH]1 23786246 UKEVWNMEWYGVJE-UHFFFAOYSA-N 330.334 4.042 0 40 EIAB O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 24578119 UNONTVQDKKXYQX-CQSZACIVSA-N 328.462 4.264 0 40 EIAB CCOc1ncccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 27585476 NFTGWGGAHJEMOV-UHFFFAOYSA-N 330.387 4.304 0 40 EIAB Cc1ccc(Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)nn1 35597946 NERNPYMVUVMSHS-RIYZIHGNSA-N 330.391 4.181 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)CC[C@@H](C)C2 36712402 JYIDCVPKKSTSDL-CYBMUJFWSA-N 341.476 4.475 0 40 EIAB CCCSc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 39989115 OSCHXOHLCQUKGQ-BQYQJAHWSA-N 339.873 4.346 0 40 EIAB COc1ccccc1CNC(=O)Nc1ccccc1SC(F)F 43552786 CAUNLXOFCSUSGO-UHFFFAOYSA-N 338.379 4.332 0 40 EIAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ccccc2n1 46507101 WZFKGOBDQRCFCD-GOSISDBHSA-N 348.402 4.045 0 40 EIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1 49005517 XUCNCIFVGQRZDM-UHFFFAOYSA-N 334.423 4.164 0 40 EIAB Cc1ccc(C(=O)NCC2(c3ccccc3C)CCOCC2)c(C)c1 56364306 XRCOXZVOIJRUEX-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 56444499 JIFHHBKUHOEPNW-LSDHHAIUSA-N 339.439 4.075 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 58182767 NAXWIDNKQOLIDD-UHFFFAOYSA-N 343.373 4.008 0 40 EIAB Clc1ccc2nnn(OCc3csc(C4CCCCC4)n3)c2c1 58370946 SQUUKIBLKZJDPT-UHFFFAOYSA-N 348.859 4.218 0 40 EIAB COc1c(CN[C@@H](c2ccc(C)cc2)C2CC2)c(C(C)C)nn1C 58392155 VUFOXHIOKNKNRI-IBGZPJMESA-N 327.472 4.101 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](c1ccccc1)C1CC1 69779633 MMZPEUFZHNMHMS-GOSISDBHSA-N 348.406 4.318 0 40 EIAB COc1ccc2oc([C@H](C)NC(=O)Nc3c(C)noc3C)c(C)c2c1 71883758 UUDKMESTFPGVAS-NSHDSACASA-N 343.383 4.237 0 40 EIAB CCc1nnc([C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)o1 71893916 IIYWJUNJRVDQHO-SNVBAGLBSA-N 349.847 4.028 0 40 EIAB O=C(Nc1cnc2ccccc2n1)c1csc(-c2cccs2)n1 72310528 YGCFJPYTVPONCX-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB Cc1cc2cc(NC(=O)c3cnc(-c4ccccc4)nc3)ccc2[nH]1 89610722 XHQLXQRXGBGBHJ-UHFFFAOYSA-N 328.375 4.186 0 40 EIAB Clc1cnccc1NCc1cccc(COC2CCOCC2)c1 89774559 SDGSFDUMRLZSOI-UHFFFAOYSA-N 332.831 4.043 0 40 EIAB C[C@H](NC(=O)N[C@H](C)Cc1ccc2ccccc2c1)c1ccncc1 95948077 JZUUPCJMZHROMU-CVEARBPZSA-N 333.435 4.226 0 40 EIAB CCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1 96014089 IHYNLKUXOTZSAR-RYUDHWBXSA-N 329.400 4.107 0 40 EIAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 96402364 TUZPIPCWFHOHPZ-QZTJIDSGSA-N 345.446 4.073 0 40 EIAB ClC1=C(Cl)[C@@]2(Cl)[C@H]([C@@H]3CO3)C[C@@]1(Cl)C2(Cl)Cl 100353242 ADYBGWQSWJHWDU-JSKVFSMCSA-N 342.864 4.237 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 102762001 INWYLJANKLYLOW-DKIMLUQUSA-N 349.434 4.002 0 40 EIAB O=C(c1c[nH]c2ccccc12)N1CCS[C@H](c2ccccc2)CC1 208040534 UCLIZARLNJFOSE-IBGZPJMESA-N 336.460 4.488 0 40 EIAB FC(F)(F)c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 219950550 ACJCWUKVSAFTTD-UHFFFAOYSA-N 333.029 4.363 0 40 EIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc(C2CC2)nc1 222597160 FCZDQYNGKIFSLV-UHFFFAOYSA-N 345.402 4.185 0 40 EIAB CCCCCNC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225213458 QDKRNWWQWCCPEK-UHFFFAOYSA-N 336.482 4.165 0 40 EIAB CCOc1c(Br)cc(Br)c2cccnc12 225392024 TWMVRJIDTAKVFV-UHFFFAOYSA-N 331.007 4.159 0 40 EIAB COc1ccccc1CCCNC(=S)Nc1ccc(C)cc1C 225548926 XHAMMHDGKYWMDS-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1 225552208 AXVMNYPTENFOBC-GOSISDBHSA-N 337.463 4.391 0 40 EIAB Cc1cc(Cl)ccc1-c1oc(/C=C\C(N)=O)cc1Br 352034359 ADTKFKJTTZYLKY-HYXAFXHYSA-N 340.604 4.169 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc(F)cc1 140458 UNWYOYFLGMANQV-INIZCTEOSA-N 339.819 4.005 0 40 EIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)OCCO2 181681 PVZQFIAHWTUJCP-UHFFFAOYSA-N 343.382 4.281 0 40 EIAB O=C(Cc1cccc2ccccc12)OCC(=O)c1ccc(Cl)cc1 243074 MDSKELWNQLMDHH-UHFFFAOYSA-N 338.790 4.462 0 40 EIAB COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1OC 519703 PCQMTUORUMCAHC-UHFFFAOYSA-N 330.767 4.439 0 40 EIAB biogenic O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NC1CC1 1342575 DZQDCSOSMRJXEW-UHFFFAOYSA-N 341.480 4.048 0 40 EIAB CCc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 2447246 VXWILSIQAXOULW-UHFFFAOYSA-N 347.414 4.201 0 40 EIAB Cc1cc(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)c(C)s1 3376895 YSWHIZAACRZJQN-UHFFFAOYSA-N 349.883 4.340 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2C)c1 3527619 GNUPOWFUQFKPCX-UHFFFAOYSA-N 337.448 4.074 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)cc1 4033185 GUAACSHJCPBMBJ-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB COCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4104897 ZGUWBFQPMRYQET-QNEXQYMPSA-N 348.527 4.222 0 40 EIAB biogenic,in-vitro Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1 4616080 OIAVALDOQHOGFS-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc2ccccc12 4907855 VXODYETWUXXNBL-UHFFFAOYSA-N 342.757 4.210 0 40 EIAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5333418 JYQPBOAYHNOSAV-UHFFFAOYSA-N 333.432 4.126 0 40 EIAB CC(C)C(=O)NCCCc1nc2ccccc2n1[C@H](C)c1ccccc1 5545962 SDZSWHQQNYNSQY-QGZVFWFLSA-N 349.478 4.350 0 40 EIAB CCOc1ccc(OCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 5937363 WXZBNQWCIVCOCG-UHFFFAOYSA-N 337.778 4.285 0 40 EIAB CSCCCNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6083786 ABINNHUTVVYZKO-UHFFFAOYSA-N 342.839 4.398 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1cccs1 6881352 ZYJVCKVEAIFEQQ-OAHLLOKOSA-N 334.872 4.486 0 40 EIAB Cc1occc1-c1nnc(SCCCC(=O)c2cccs2)n1C 7236401 WOQXMNWQLCVDFC-UHFFFAOYSA-N 347.465 4.200 0 40 EIAB Cc1ccc(CSCCNC(=S)Nc2ccccc2F)cc1 7969345 IURJYUVVVQOZEW-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB COc1ccc2cc(CNCCCn3cnc4ccccc43)ccc2c1 7985267 FOOKPPTZSOTVDB-UHFFFAOYSA-N 345.446 4.378 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2C)c(C)n1 8071808 SMLXRQQTORLUCS-UHFFFAOYSA-N 349.887 4.348 0 40 EIAB CCCOc1ccc2nc(C)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8717136 AKWZBVNLBKOERT-CQSZACIVSA-N 328.456 4.270 0 40 EIAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2c(C)cccc2C)c1 8752052 IGKOXTBEGNNGED-IBGZPJMESA-N 338.451 4.088 0 40 EIAB COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 9204259 OLJOKJJZCXXKTP-UHFFFAOYSA-N 327.405 4.192 0 40 EIAB Cc1ccc(-c2cc(NC(=O)COc3c(C)cccc3C)on2)cc1 9764285 PQZDYWYFEXNBSP-UHFFFAOYSA-N 336.391 4.284 0 40 EIAB Cc1cccc(CCCNC(=O)c2ccc(Br)cc2)c1 10110606 QNVNEAZQOJIGEJ-UHFFFAOYSA-N 332.241 4.120 0 40 EIAB O=C(CCc1ccsc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11418234 WIQNEFIOCBTPMU-UHFFFAOYSA-N 348.855 4.100 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 11614047 MNZFYHHPWUYCAJ-AWEZNQCLSA-N 335.469 4.096 0 40 EIAB CC[C@H]1c2ccsc2CCN1CC(=O)NCc1cccc(Cl)c1 12976816 GDBJFRWLLMHENK-INIZCTEOSA-N 348.899 4.027 0 40 EIAB Cc1cccc(OCCC(=O)Nc2nc3ccc(C)cc3s2)c1 13017801 VFIIWDBIBSPNMO-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 18265279 MIEKHPVGUXVDBU-IYBDPMFKSA-N 336.435 4.057 0 40 EIAB Fc1ccc(CN2C[C@H]3C[C@@H](c4cccs4)N4CCC[C@@]34C2)cc1 19343097 PACOWZUQYBZXCZ-IMFGXOCKSA-N 342.483 4.299 0 40 EIAB CC(C)Nc1ncc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1 19450354 HJQRDQUQWZQOEI-UHFFFAOYSA-N 327.819 4.018 0 40 EIAB CC[C@H](CNc1ccc(OCCOC)cc1)Oc1ccccc1C 19738273 MDOJSQUFHGXKRW-GOSISDBHSA-N 329.440 4.290 0 40 EIAB COc1ccc(-c2ccnc(SCC(=O)c3ccccc3)n2)cc1 20120565 TWAWEFPRWHZQML-UHFFFAOYSA-N 336.416 4.127 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 20455625 ATQZXIVBIOILJV-HOTGVXAUSA-N 349.430 4.493 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 21875537 VIBFWOKNIWHBBN-BBRMVZONSA-N 342.464 4.309 0 40 EIAB COc1c(Cl)cc(Cl)cc1CNCCc1ccccc1F 22074744 AHQKEYWANVOFRW-UHFFFAOYSA-N 328.214 4.473 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2sccc2C)c1 22703837 ZOXQOIXBEOBGGG-HNNXBMFYSA-N 331.437 4.051 0 40 EIAB Cc1ccccc1CSCCNC(=O)CSc1ccccc1 24606013 YEQRRWFDLRZIKJ-UHFFFAOYSA-N 331.506 4.137 0 40 EIAB Cn1cccc/c1=N\c1ccc(OC(F)F)c(Cc2ccccc2)c1 24970647 KNQHILFYRGAFQI-FCDQGJHFSA-N 340.373 4.450 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 25063159 HVIXTURSVXNENP-UHFFFAOYSA-N 339.313 4.283 0 40 EIAB CCn1c(C)cc(C(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1C 27076843 WMLDWDVJOKVEGB-UHFFFAOYSA-N 349.406 4.254 0 40 EIAB COc1ccc([C@](O)(CCN2CCCCC2)Cc2ccccc2)cc1 27346696 SLLKUDXKJKDDQD-QFIPXVFZSA-N 339.479 4.002 0 40 EIAB COC(=O)c1ccc([C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)o1 31843888 JTHSDERPZXVOHH-LLVKDONJSA-N 343.408 4.013 0 40 EIAB CN(C(=O)CSc1ccc(F)cc1F)[C@@H]1CCc2ccccc21 32905660 ARHMMHISSGQFGN-MRXNPFEDSA-N 333.403 4.203 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)NC[C@@H](C)c3ccccc3)sc2n1 32906138 HKVGMQGFNVPGPB-LLVKDONJSA-N 339.464 4.150 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1C 36621229 QWTAROZFXCSIGL-SFHVURJKSA-N 349.883 4.483 0 40 EIAB COc1ccccc1N1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 39857527 JGQXKXHFNNKTKO-DESBJYGPSA-N 337.400 4.492 0 40 EIAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1nncs1 40095144 NFCJBSSSYYMFQX-UHFFFAOYSA-N 348.815 4.115 0 40 EIAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2nc1C 40107785 IKFMFGFIVBXCBF-GOSISDBHSA-N 337.448 4.285 0 40 EIAB Cc1ccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)cc1 41157182 DZXGYNIYIPICSF-UHFFFAOYSA-N 333.435 4.192 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 44041263 VISWITWHZXECEO-CYBMUJFWSA-N 346.386 4.108 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC(C)C)cc1 44900183 SWUDKWRMKWCPKT-MRXNPFEDSA-N 341.451 4.120 0 40 EIAB CC1CCC(N(C)C(=O)c2ccc(OCc3cccnc3)cc2)CC1 48355370 RBMWKKFUOOVYBH-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCOc1ccccc1 59475302 TUNXYJLAFCPSQB-VQHVLOKHSA-N 336.218 4.202 0 40 EIAB COc1ccc(CNCc2csc(-c3ccsc3)n2)c(OC)c1 67214946 SIZMZGHQOUHBRD-UHFFFAOYSA-N 346.477 4.179 0 40 EIAB CC[C@@H]1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 69570822 CKFTTWYXDCPDHA-CTWPCTMYSA-N 348.531 4.033 0 40 EIAB Cc1nc(CS(=O)(=O)C(c2ccccc2)c2ccccc2)cs1 69771593 XMLJASOJDDYALH-UHFFFAOYSA-N 343.473 4.156 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1OC 77732716 HDUZHYCHQOCVCW-CQSZACIVSA-N 345.464 4.440 0 40 EIAB O=C1N[C@H](c2csc(C3CC3)n2)Nc2c1sc1ccccc21 78765053 WIWRKUKOEQPTTF-CQSZACIVSA-N 327.434 4.089 0 40 EIAB O=C(Nc1cccc2ccccc12)N1CCOC[C@H]1c1ccccc1 78936266 AKHDTFBFVLRTBG-FQEVSTJZSA-N 332.403 4.445 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 95946248 LGWYZZVJWZCNPJ-KRWDZBQOSA-N 343.515 4.324 0 40 EIAB COc1ccc(C(=O)[C@@H](c2ccccc2)N2CCCCC2)cc1F 96474903 SXHBPRVNDOTGQA-LJQANCHMSA-N 327.399 4.244 0 40 EIAB CN(C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 104489302 RSPXLQCWKIXQLM-WQZMEWCLSA-N 337.548 4.233 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(OC(C)C)c1 113954515 ZYQVYKVERFSWCN-INIZCTEOSA-N 341.451 4.120 0 40 EIAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]132 118936219 VGIBLOMXKRYQHG-YUAHGDDDSA-N 330.468 4.140 0 40 EIAB C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 194429717 SXRANUOJLBQLQR-GIPWTMENSA-N 327.902 4.332 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2cccc(C)c2C)cc1 223901424 GGIVIGXFRLQPOH-UHFFFAOYSA-N 343.492 4.289 0 40 EIAB CCCc1ccc(OCCNC(=O)c2ccc(OC(C)C)cc2)cc1 224273320 NRQOTIDMRPRNSI-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB CCCOCc1cc(C(=O)NCc2ccc(C)cc2)ccc1OCC 224703134 FPFKSZGAGONGKM-UHFFFAOYSA-N 341.451 4.250 0 40 EIAB CC[C@H](NC(=O)c1ccc(C)cc1C)c1ccc(OC)c(OC)c1 225196796 ORXYSMAUXVWZAK-KRWDZBQOSA-N 327.424 4.202 0 40 EIAB CC[C@@H](C)Oc1c(I)ccc2cccnc12 225391599 JKJFSBRLODQPAX-SECBINFHSA-N 327.165 4.017 0 40 EIAB C[C@@H](NC(=O)c1snnc1-c1ccccc1)c1ccc(Cl)cc1 225761105 UWXYPKGWDHXEBX-LLVKDONJSA-N 343.839 4.350 0 40 EIAB O=C(Nc1ccc(F)cc1)c1snnc1-c1ccc(Cl)cc1 225769705 ONACYLTVRNOKRY-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2ccccc12 225813318 QMTSIOUYRHYAHM-HXUWFJFHSA-N 327.424 4.382 0 40 EIAB COc1ccc(C(=O)CCc2cccc(Br)c2)cc1F 228923384 GZNWZKRPTINMIB-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB CC(C)(C)c1ccc(C(=O)Sc2nnc(-c3ccncc3)o2)cc1 408599566 WLOSVMFCHDXEED-UHFFFAOYSA-N 339.420 4.362 0 40 EIAB CC(C)N(Cc1cccc(Cl)c1)Cc1nc(-c2ccccn2)no1 613433139 DWWWKEBAIDBGTA-UHFFFAOYSA-N 342.830 4.196 0 40 EIAB CC(C)[C@H]1N(C(=O)NCCc2cccc3[nH]ccc23)CC12CC=CC2 645492434 LQKRPXLNHXALHQ-LJQANCHMSA-N 337.467 4.097 0 40 EIAB Cc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1Cl 1668522012 BADCECVASKHOBM-VHSXEESVSA-N 335.181 4.421 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CC[C@@H](C)C2 127457 WIMFHBPOSVHLLH-LLVKDONJSA-N 342.464 4.392 0 40 EIAB O=C1CS[C@H](c2ccc(F)cc2)N1c1nc2ccccc2s1 564142 GKZCFPFWFSFOAM-OAHLLOKOSA-N 330.409 4.214 0 40 EIAB CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359688 DJROHJHWSBMWJV-HNNXBMFYSA-N 345.418 4.018 0 40 EIAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1472517 KVEVOAGXFNQDAB-OAHLLOKOSA-N 349.217 4.046 0 40 EIAB CCN(CC)CCC[C@H](C)Nc1c(C)cnc2c(OC)cccc12 1729635 CNKVVSRAKNUCQY-INIZCTEOSA-N 329.488 4.474 0 40 EIAB O=C(Nc1ccccc1)Nc1nc(SCc2ccccc2)ns1 3035284 QYIWXOWNEZQRMD-UHFFFAOYSA-N 342.449 4.474 0 40 EIAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 4072175 RUZJRERVJZNKKW-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COc1ccc(NC(=O)c2c(C)oc3ccc(O)cc23)cc1Cl 4136954 POESYTSDLKHOKB-UHFFFAOYSA-N 331.755 4.361 0 40 EIAB FC(F)(F)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1 4710724 VZANPBDHXSNYRN-UHFFFAOYSA-N 331.341 4.292 0 40 EIAB CC1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=S)N2 4891053 SJKTXPSRMIXATC-UHFFFAOYSA-N 337.286 4.075 0 40 EIAB CC[C@H](c1ccccc1)c1nn2c(-c3cccs3)nnc2s1 4939195 ODFXNYIMNBBYHF-GFCCVEGCSA-N 326.450 4.456 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(Br)cc1)C2 5068299 KNYLDGNGWUERDH-MRRJBJDNSA-N 336.273 4.394 0 40 EIAB COc1cc(NCCCCCN[C@@H](C)C(C)C)c2ncccc2c1 5835467 NJMNDZQLXMFXEA-INIZCTEOSA-N 329.488 4.460 0 40 EIAB Cc1ccc(-c2nc(CSc3nnc4ccccn34)cs2)cc1 6115078 KWAZELFBHDSFGL-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB CSCc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 6411724 AHUHLDLWUJKTJW-UHFFFAOYSA-N 347.292 4.232 0 40 EIAB O=C(O)c1ccc(OCc2ccccc2Cl)c(Br)c1 7604019 SIMGFUMIXQOEPZ-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB CCOc1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 7807474 XLDJRCRBJHDVMA-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1cccc(C)c1 8040593 LZMQDUBWBWBMSQ-IBGZPJMESA-N 343.492 4.202 0 40 EIAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C)n2)cc1 9196455 GDEVXOBANHASIK-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Cc1cccn2c(NC(=O)CCc3ccco3)c(-c3ccccc3)nc12 9466740 VPWKGWCIBHNJSG-UHFFFAOYSA-N 345.402 4.474 0 40 EIAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)cc1F 10273394 SCDCMDVQROVRRJ-UHFFFAOYSA-N 349.369 4.049 0 40 EIAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc1F 10496517 WLUGVPDCFYRSCW-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB O=C(C(c1ccccc1)c1ccccc1)N1CCCc2ncccc21 12527226 DGCXYUFXQXNOAV-UHFFFAOYSA-N 328.415 4.193 0 40 EIAB O=C(Nc1ccccc1O)c1cc(-c2ccncc2)nc2ccccc12 12527375 RXMOBJSCFJWAHW-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB Cc1ccccc1CNC(=O)c1sc(-c2ccsc2)nc1C 12975660 ANNWQNALVFGOFW-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)Cn3nc(C)cc3C)cc2)cc1 12996483 CEBBTCIVGLDZOG-UHFFFAOYSA-N 335.407 4.239 0 40 EIAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 13618802 KLYQRDDJHAYEMW-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB Cc1ccc2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1 13690545 NDKKQAHDKMUMNS-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(O)c3)s2)c1 13723441 CBNQROLLYOJXTG-UHFFFAOYSA-N 340.404 4.085 0 40 EIAB COc1cc(NC(=O)Cc2cc(C)ccc2C)c(OC)cc1Cl 20041533 SDXJBWOGNGDTGG-UHFFFAOYSA-N 333.815 4.155 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 20485396 NNMXPUDTRKOXQZ-YJBOKZPZSA-N 329.415 4.477 0 40 EIAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1 20632803 SVMYFLGYPKWPJM-INIZCTEOSA-N 332.403 4.102 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 21368975 GBTWOZZJKPSUQO-JKSUJKDBSA-N 349.430 4.493 0 40 EIAB CC(C)N(CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(C)C 22623350 GITVXHLWQUEBJS-CQSZACIVSA-N 342.936 4.056 0 40 EIAB NC(=O)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 24889206 LEJIHWVWCVVXSV-CYBMUJFWSA-N 334.853 4.268 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NC1(c2ccccc2)CCC1 25053340 YOGGJILILDOKFU-UHFFFAOYSA-N 333.353 4.444 0 40 EIAB Cc1ccc(-c2c[n+](-c3ccc4c(c3)OCO4)c3n2CCCCC3)cc1 27788674 ZAPNFQCZGMOHGO-UHFFFAOYSA-N 347.438 4.195 0 40 EIAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc2ccccc2c1 27916581 DKFJASVSFVQWBC-UHFFFAOYSA-N 345.377 4.476 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)C1 36358462 HRXOCJJGOOOQCA-OAHLLOKOSA-N 339.782 4.355 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C 38835196 QZQWIGFVIZUNRA-GOSISDBHSA-N 340.442 4.293 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1C(F)(F)F 40017146 LZAILKPGJGXEPH-UHFFFAOYSA-N 343.308 4.415 0 40 EIAB COc1ccc(CN(C)Cc2cc(F)cc3cccnc23)cc1F 40086040 YXYGHZDTUKXFQH-UHFFFAOYSA-N 328.362 4.154 0 40 EIAB Cc1oc(C)c(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C 40110574 WJEFORQBHSVPLT-UHFFFAOYSA-N 336.391 4.322 0 40 EIAB CNc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cn1 40135248 CGFKSXZHPGKLLG-UHFFFAOYSA-N 325.441 4.141 0 40 EIAB CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 40526728 QQUNYMDXDLKZRY-UHFFFAOYSA-N 339.439 4.335 0 40 EIAB CC(=O)c1c(F)cccc1-n1cc[n+](Cc2c(C)cc(C)cc2C)c1 65012698 GILFMINYIQRTID-UHFFFAOYSA-N 337.418 4.080 0 40 EIAB CC(C)c1noc(-c2ccc(NC(=O)[C@@H](C)OC3CCCC3)cc2)n1 70816845 ZHFLYOZDWRAGSD-CYBMUJFWSA-N 343.427 4.146 0 40 EIAB COc1cccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1OC 71861973 JPQYUQHFBWEKSH-AWEZNQCLSA-N 341.451 4.492 0 40 EIAB O=C(CCc1ccc(F)cc1)N1CCCC[C@@H]1Cc1ccccc1 72280400 MMCJCLLDLLICSB-HXUWFJFHSA-N 325.427 4.382 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)O[C@H](c2ccccn2)C(C)C)cs1 72287220 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COc1ccc(Cl)cc1[C@H](C)N[C@H](CCO)c1cccs1 95423032 NCBVCTKAWAGWEQ-SMDDNHRTSA-N 325.861 4.184 0 40 EIAB Cc1ccc(N[C@H]2CCSc3ccccc32)cc1NS(C)(=O)=O 97038144 FNRZWDQLSMAVRH-HNNXBMFYSA-N 348.493 4.016 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(F)cc1 102707338 HDQXJYPBEJVKLX-PBWTXFEYSA-N 337.394 4.008 0 40 EIAB CCc1noc(C)c1NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 104392034 HAYUKTCGQBAVLL-OAHLLOKOSA-N 345.447 4.035 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 123385294 JPOWGZUAPKSQIG-LROSQUFUSA-N 334.500 4.322 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)cc1F 223308123 NYYBRQJJZVMHSP-GFCCVEGCSA-N 331.362 4.250 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223703691 BWYCDMKJQMQZOW-UHFFFAOYSA-N 339.479 4.339 0 40 EIAB CCOc1ccc(C(=O)NC)cc1COc1ccccc1C(C)C 224561796 CEYRMPKWQPKPDT-UHFFFAOYSA-N 327.424 4.147 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 224999252 OSOXXBODICBLEP-UHFFFAOYSA-N 344.842 4.431 0 40 EIAB COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225763456 VVYQQIAMCOVFHA-QGZVFWFLSA-N 340.423 4.428 0 40 EIAB CO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c2ncccc12)C1CC1 225892138 PUYUBJIRTNHDLV-HXUWFJFHSA-N 342.439 4.023 0 40 EIAB Cc1cccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)c1 226269939 UORFHMFKHJZWHO-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB CC(C(=O)N1CC[C@]2(CCCOC2)C1)(c1ccccc1)c1ccccc1 501313771 BTXNPCOQKVUYPK-HSZRJFAPSA-N 349.474 4.022 0 40 EIAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1coc(-c2ccc(Cl)cc2)n1 530178993 KHVKOBBMTSVCTB-DABQJJPHSA-N 348.830 4.069 0 40 EIAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2ccco2)o1 575610061 JSPNAYFRYNMKRX-UHFFFAOYSA-N 330.771 4.192 0 40 EIAB CCCc1cc(C(=O)Cc2nc3ccccc3s2)c(O)cc1O 44344 MZJUMUKBAFVSPJ-UHFFFAOYSA-N 327.405 4.085 0 40 EIAB CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 190338 CAWBFKPQEGQGBI-UHFFFAOYSA-N 329.469 4.302 0 40 EIAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 386105 JZNZTHJPNWCZQI-UHFFFAOYSA-N 342.445 4.230 0 40 EIAB CCOC(=O)N(CC)[C@@H](c1ccccc1)P(=O)(OCC)OCC 2041708 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Cc1cccc(C)c1NS(=O)(=O)c1cc(Cl)sc1Cl 12548429 DTNWOUYQYMANHB-UHFFFAOYSA-N 336.265 4.473 0 40 EIAB O=C(Nc1ccccc1O)c1ccccc1SCc1cscn1 12553327 QPEDOFBPWSQDKR-UHFFFAOYSA-N 342.445 4.393 0 40 EIAB CCc1sc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C 12628672 XKUUOPRRDJTNAD-HNNXBMFYSA-N 339.464 4.473 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c2cccnc12 12776953 HWRTYVLUDXTSIC-UHFFFAOYSA-N 337.766 4.211 0 40 EIAB O=C(NCCNCc1cccc2ccccc12)c1ccc(Cl)cc1 13879952 JAKOTFSKSDPNPE-UHFFFAOYSA-N 338.838 4.013 0 40 EIAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1 15089184 GVBHVXHMUOCZSE-ZDUSSCGKSA-N 343.448 4.201 0 40 EIAB CSc1ccc(C2=NN=C(NCc3ccc(F)cc3)SC2)cc1 15453048 MSBMJEXJDADYJA-UHFFFAOYSA-N 345.468 4.144 0 40 EIAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)s1 19213803 RDHXVVOTKZKSLU-QGZVFWFLSA-N 328.481 4.283 0 40 EIAB O=C(Nc1ccc(Cl)cc1C(=O)NC1CCCCC1)c1ccco1 19908746 OQTBRUCFLHEQLI-UHFFFAOYSA-N 346.814 4.248 0 40 EIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(F)c1 20138130 QWPNFRMKMPKHPI-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB CCCNc1c(NC(=O)c2ccc(C)cc2)c(=O)oc2ccccc12 20603502 QTYKRBMVAPOOKR-UHFFFAOYSA-N 336.391 4.176 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1noc(-c2ccccc2)n1 21800448 XARGZVTVRQRRAP-UHFFFAOYSA-N 337.379 4.168 0 40 EIAB O=C(COc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 21829778 XRJZHVPCXAAUOW-GOSISDBHSA-N 333.790 4.125 0 40 EIAB COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 22784011 XZFXESHTISZFJJ-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)c1cccc(Nc2ncccn2)c1 24860928 FRWRRQRJSGQZDK-UHFFFAOYSA-N 344.418 4.122 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc2[nH]cnc2c1 25283435 GHECITUMQMJIPS-FQEVSTJZSA-N 341.414 4.277 0 40 EIAB COc1ccccc1[C@H](C)N(C)CC(=O)Nc1cccc(SC)c1 26332928 RYPQMSHKSSAJKT-AWEZNQCLSA-N 344.480 4.049 0 40 EIAB CCOC(=O)c1cnc2c(F)cccc2c1Nc1cccc(OC)c1 28580168 GLEPNTSPMHFPOC-UHFFFAOYSA-N 340.354 4.303 0 40 EIAB CCCc1sc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CC 28647586 ZFFLRFYYSHHFMZ-UHFFFAOYSA-N 331.437 4.287 0 40 EIAB C[C@H](Sc1ncnc2ccsc12)c1nc(-c2ccco2)no1 29740345 NFBKDZYOTAYPTQ-QMMMGPOBSA-N 330.394 4.188 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 30862413 GBUZGNZPDBICFY-SJORKVTESA-N 341.451 4.347 0 40 EIAB C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 35142216 QJSLJLSQEYRTPS-LRDDRELGSA-N 331.799 4.173 0 40 EIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCC1CCCCC1 40005378 KPPHWZPFCDEDNJ-UHFFFAOYSA-N 339.483 4.250 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(OC)cc1 44842770 CCGHNSOMFPPLLZ-VQIMIIECSA-N 341.451 4.347 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1C 44843576 WUCZOOPWZJEDAK-HNNXBMFYSA-N 331.843 4.383 0 40 EIAB Cc1cc(Br)ccc1C(=O)N[C@H]1CCOc2ccccc21 48227973 SVMDZJQJGNVTIQ-HNNXBMFYSA-N 346.224 4.011 0 40 EIAB Cc1ccccc1OCCCOc1cccc(Oc2ncccn2)c1 72073307 SBCALVFRLLHBBR-UHFFFAOYSA-N 336.391 4.425 0 40 EIAB CC[C@@H](NC(=O)Nc1c(C)noc1C)c1nc(C(F)(F)F)cs1 72941872 UJVXLCRGVJNWEV-MRVPVSSYSA-N 348.350 4.040 0 40 EIAB O=C(O)c1ccccc1Nc1ccnc2ccc(Br)cc12 78401456 INLGOBNAPYVANX-UHFFFAOYSA-N 343.180 4.439 0 40 EIAB Cc1c(C(=O)N[C@H](C)C[C@@H](O)c2ccco2)sc2ccccc12 79107536 YDPCAOXOHDELFU-BXUZGUMPSA-N 329.421 4.045 0 40 EIAB CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@@H]1CCc2ccccc21 83855802 LZKDECIYLKGNLC-FGZHOGPDSA-N 348.490 4.142 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc2cccnc12 84019907 BXGSSFRCUYCZEN-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB Cc1c([C@@H](C)Nc2cnc3ccccc3n2)cnn1-c1ccc(F)cc1 84044894 GOVANQYGGSBTGI-CYBMUJFWSA-N 347.397 4.436 0 40 EIAB CCCNC(=S)NC[C@H]1CC2c3ccccc3C1c1ccccc12 84756615 DOIDUAAPRGFMDY-WPUWVODUSA-N 336.504 4.158 0 40 EIAB CCc1cnc(CN2CCC(c3c[nH]c4ccc(OC)cc34)CC2)o1 89289620 FDUJBLYENOJEAM-UHFFFAOYSA-N 339.439 4.107 0 40 EIAB CN(C(=O)C1CC1)[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl 95396934 HIQCZRCZIUOGOU-INIZCTEOSA-N 335.234 4.346 0 40 EIAB COc1ccc([C@@H](C)N[C@H](C)Cc2ccc(C)s2)cc1NC(C)=O 95422779 BJBPOYBBUPDQGU-TZMCWYRMSA-N 346.496 4.305 0 40 EIAB C[C@H](C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)c1cccs1 97165433 SHJOXLLHZVOLMF-OXJNMPFZSA-N 342.508 4.023 0 40 EIAB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(O)C[C@@H](C)CC1=N2 102602525 IRZBQEJIIHYIIU-XXFAHNHDSA-N 328.803 4.157 0 40 EIAB CC(C)c1cc(O)c2c(c1O)[C@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 104097012 MCMQSPNBTJWIEO-LAPQFRIASA-N 330.424 4.287 0 40 EIAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 109037712 YYDJJHKWQILILX-LAQRGFTBSA-N 342.483 4.114 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)ccc1Cl 113969082 GMWVBQWNQYTDOX-GFCCVEGCSA-N 338.234 4.386 0 40 EIAB CCc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1 224595357 DCKNVLCICMYILA-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CSc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 224982530 FEXFTROJHGBGFN-UHFFFAOYSA-N 341.461 4.108 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 225131423 ZJNOHCUGPAUAJL-SFHVURJKSA-N 341.451 4.131 0 40 EIAB COC(C)(C)CCOc1ccc(NC(=O)C(F)(F)F)cc1Cl 225589077 GRGWWABXEXPWNK-UHFFFAOYSA-N 339.741 4.035 0 40 EIAB CCOc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1 225634772 KCTORQKVKJSIHA-OAHLLOKOSA-N 344.480 4.148 0 40 EIAB O=C(Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)o1 408586156 LOKDFIRLMODCML-UHFFFAOYSA-N 330.796 4.251 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 409110653 FRZYCTASYKLFPW-XSFVSMFZSA-N 346.386 4.417 0 40 EIAB Cc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409146856 VETSVHHPJMLECH-OAHLLOKOSA-N 331.824 4.460 0 40 EIAB O=C(CCCc1ccc(Cl)cc1)N1CCOc2cc(F)ccc21 605285625 LPIUSTHSENEODX-UHFFFAOYSA-N 333.790 4.227 0 40 EIAB CCOC(=O)c1cnc2ccccc2c1Nc1cccc(C(C)=O)c1 98399 YKJHTLAQAOQIEU-UHFFFAOYSA-N 334.375 4.358 0 40 EIAB O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1F 363927 QWZNLJXWGFQHOR-UHFFFAOYSA-N 335.334 4.297 0 40 EIAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(F)c2)cc1 570293 AIJGTRCCLMNPMZ-LBPRGKRZSA-N 346.427 4.130 0 40 EIAB O=C(c1ccccc1F)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 1253477 TWBHYTZBZXUXGD-GOSISDBHSA-N 334.350 4.410 0 40 EIAB O=C(O[C@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1cccs1 1406548 XEAIMZYXBXPQHV-XSVZSIDJSA-N 343.423 4.179 0 40 EIAB COc1ccccc1CN1CCCO[P@@]1(=O)Nc1ccccc1C 1667933 FCLBCGJLVNGOIA-DEOSSOPVSA-N 346.367 4.446 0 40 EIAB O=C(CCC(=O)c1ccccc1)Nc1ccc(Br)cc1 1686892 BBTAKZUVOXLJEB-UHFFFAOYSA-N 332.197 4.051 0 40 EIAB Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1C 3407337 LNCGEFSSDWFMHK-ZHACJKMWSA-N 332.403 4.313 0 40 EIAB COc1ccc(C(O)(c2ccc(C)cc2)c2ccc(OC)cc2)cc1 4255585 BQHHKNAXUTXELM-UHFFFAOYSA-N 334.415 4.296 0 40 EIAB CC(C)(COC(=O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 4694134 UKZJFCRQJQQEBC-UHFFFAOYSA-N 333.497 4.242 0 40 EIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccccc1 5373948 YWKIVGSXJZVDEA-UHFFFAOYSA-N 346.386 4.125 0 40 EIAB O=C(CN1CCSc2ccccc21)Nc1ccc(Cl)cc1F 5689388 MDJGIIKNLJNCSS-UHFFFAOYSA-N 336.819 4.030 0 40 EIAB O=C(O)c1cc(-c2ccc(O)cc2)nc2cc(Br)ccc12 6883570 ZYMOEIXJYSDDCW-UHFFFAOYSA-N 344.164 4.068 0 40 EIAB CC(=O)c1ccc(OC(=O)c2cc(Br)ccc2F)cc1 7656287 WQHFXKSRVQXLSA-UHFFFAOYSA-N 337.144 4.010 0 40 EIAB COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1Cl 7982349 XWMWXUGXAPGUKO-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB O=C(O)c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 8429434 GPLHLWVPTUBJCY-UHFFFAOYSA-N 345.354 4.261 0 40 EIAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)cc2)n(CC(C)C)c1C 8478953 LBOREKRMPXYMMC-CQSZACIVSA-N 349.475 4.414 0 40 EIAB Cc1ccc(CSc2nc(CC(=O)NC3CCCC3)cs2)cc1 8936173 KUFVNGJIIMNZJA-UHFFFAOYSA-N 346.521 4.345 0 40 EIAB COc1ccc(-c2nc(CC(=O)N(C)C3CCCCC3)cs2)cc1 9050303 NMXIKLGUOXGKAG-UHFFFAOYSA-N 344.480 4.152 0 40 EIAB C[C@H]1CN(C(=S)c2ccccc2OCc2ccccc2)C[C@H](C)O1 9189003 ZRDDSIBIXWVUSY-HOTGVXAUSA-N 341.476 4.050 0 40 EIAB COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(F)cc1 10165966 QDVKGWXBVGFQIP-UHFFFAOYSA-N 327.359 4.065 0 40 EIAB CCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 10955169 GTOOKKCKTYJBKN-UHFFFAOYSA-N 326.368 4.459 0 40 EIAB C[C@H]1CCCCN1CCCNC(=O)Nc1cccc2ccccc12 11005172 VZVYKLMXWBVAQI-INIZCTEOSA-N 325.456 4.226 0 40 EIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 11948119 UYPARAAJUANHSU-CVEARBPZSA-N 339.391 4.308 0 40 EIAB O=C(c1ccccc1Br)N1CC[C@H](c2ccccc2)C1 12021057 ZUEVQEVIOYNMBD-AWEZNQCLSA-N 330.225 4.079 0 40 EIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1C 13670512 GPFYBOMDSLLFJF-AWEZNQCLSA-N 343.448 4.291 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 14219430 XTWDNUOJOZYMHV-MRXNPFEDSA-N 339.460 4.496 0 40 EIAB CN(CCOc1ccccc1Cl)C(=O)c1ccc2ccccc2n1 14241165 CTXGCVIJCKCTHE-UHFFFAOYSA-N 340.810 4.039 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 15330060 YHNJCWLYJDFKHP-HNNXBMFYSA-N 325.433 4.020 0 40 EIAB CC[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 22225690 PELIGVXQSMMBOL-CYBMUJFWSA-N 326.421 4.327 0 40 EIAB CCC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 22623681 PFVJIODFSGCADG-YJBOKZPZSA-N 346.515 4.043 0 40 EIAB COc1ccc(CN[C@@H](C)c2ccccc2Cl)c(OC)c1OC 22781151 QWBQVNHVNXXLCE-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB C[C@@H](c1ccccc1)N(C)Cc1nc(O)c2ccc(Cl)cc2n1 23702010 PWLRTFIDPFEFPI-LBPRGKRZSA-N 327.815 4.182 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 24987452 OXKHFJXCCPQAIR-KBPBESRZSA-N 346.858 4.432 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc2cn[nH]c12 25624207 ZHWNGQLQUSYOGR-HXUWFJFHSA-N 341.414 4.277 0 40 EIAB CC(C)Oc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1 27248961 AXZOSNQBLJUWQH-UHFFFAOYSA-N 327.424 4.191 0 40 EIAB O=C(C1=Cc2ccccc2OC1)N(Cc1ccccc1)Cc1ccco1 27545239 QKSGXUBWHAJZDC-UHFFFAOYSA-N 345.398 4.284 0 40 EIAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)s1 29241187 RGWGBODOBPNCAX-VIFPVBQESA-N 341.354 4.461 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1C 31488135 VZBXUNRMKSPVAT-IIDMSEBBSA-N 342.508 4.217 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)n3cccc/c3=N\C(C)C)ccc2c1 32893156 WLSSPABVYRRFOD-YFUCQSNDSA-N 348.446 4.403 0 40 EIAB CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38835311 RPGXWPJBSPQYJA-GOSISDBHSA-N 340.442 4.239 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 40119702 PZHCUJJVFJMSJY-UHFFFAOYSA-N 325.383 4.072 0 40 EIAB FC(F)(F)COCCSc1nnc(-c2cccs2)n1C1CC1 40555268 LWLHHRQVOJFMLR-UHFFFAOYSA-N 349.403 4.013 0 40 EIAB O=C(c1ccc(F)cc1)N(Cc1ccsc1)Cc1ccccn1 44445938 XHYBPMSMVIENEU-UHFFFAOYSA-N 326.396 4.125 0 40 EIAB C[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2ccccc2c1 49580994 DVPNGKGMDSPZLN-LSDHHAIUSA-N 343.430 4.488 0 40 EIAB CCN(Cc1cccs1)Cc1cc(=O)oc2cc(C)c(C)cc12 57752718 PBKBTAZYNMCMRZ-UHFFFAOYSA-N 327.449 4.493 0 40 EIAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)n1 58356818 CQMHIKXFICCIJN-UHFFFAOYSA-N 344.374 4.154 0 40 EIAB Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@H](c1cscn1)N2 63312725 RTKBFPIASRXYRK-LJQANCHMSA-N 349.459 4.261 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1(C)C 65493371 ICYFQUSHKHYEBU-RHSMWYFYSA-N 327.403 4.188 0 40 EIAB O=C(Cc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 66279323 WMAZFYZTJHECJX-UHFFFAOYSA-N 327.387 4.411 0 40 EIAB COc1cc(F)ccc1NC(=O)Cc1nc(-c2ccsc2)oc1C 69631802 MSYPASYBNKOCQB-UHFFFAOYSA-N 346.383 4.040 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1C 71882920 ZAKVQZRJHVDFES-LLVKDONJSA-N 347.484 4.079 0 40 EIAB CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214909 HYMMMBSFKDMJPS-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB CCN(CC)Cc1cccc(NC(=O)Cc2cc(C)sc2C)c1 72309536 CWKNICJXNQZKHW-UHFFFAOYSA-N 330.497 4.388 0 40 EIAB Fc1ccc2c(C3=CCN(Cc4nccn4C(F)F)CC3)c[nH]c2c1 76994480 UWQBSVWOFSURMY-UHFFFAOYSA-N 346.356 4.188 0 40 EIAB COc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 78814322 YSYKQKMZSWJZIT-QGZVFWFLSA-N 342.464 4.326 0 40 EIAB COc1ccc(-c2csc(NC(=O)/C=C/SC)n2)cc1Cl 79052957 HYADUVNBOAZTQT-AATRIKPKSA-N 340.857 4.287 0 40 EIAB COc1cc(OC)c(NCc2noc(-c3ccccc3)n2)cc1Cl 86190208 GIMCFZLUHCEJEO-UHFFFAOYSA-N 345.786 4.019 0 40 EIAB COc1cc(C(=O)c2ccc(OC(C)(C)C)cc2)cc(OC)c1OC 95916113 LXTQODKHHYOKQQ-UHFFFAOYSA-N 344.407 4.121 0 40 EIAB Cc1nc(Nc2cc(C)n([C@@H](C)C3CC3)n2)cc(-c2ccccn2)n1 96009792 SMIHEUVKZBAJGI-ZDUSSCGKSA-N 334.427 4.067 0 40 EIAB CC(=O)CCCCCCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 96013413 BBBNBDBORACNPZ-HNNXBMFYSA-N 333.428 4.179 0 40 EIAB O=c1[nH]c2c(s1)[C@@H](c1ccc(F)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100922530 XCRBMTDUYFRNSW-TZNMXHEESA-N 333.453 4.228 0 40 EIAB FC(F)Sc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102226312 PTCCYPOZTIQZLW-OUJBWJOFSA-N 328.453 4.476 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105411164 NWAJCNWYMSTERC-JKDYONSDSA-N 348.284 4.403 0 40 EIAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1 214179501 XYOMPHDEUOQVBW-OQLLNIDSSA-N 345.807 4.282 0 40 EIAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 222654298 GGQZZMMAGJZDNM-SFHVURJKSA-N 339.435 4.232 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)CCc1ccc(F)cc1 223832730 SGQOYBPFZXMKEF-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1 224367071 SBFYEZNEVFGORM-UHFFFAOYSA-N 341.451 4.440 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1Cl 224665895 MYHRTPYYMSBYIY-CQSZACIVSA-N 347.842 4.244 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(C)cc3)o2)c1 224844205 PDMWMACAXUPPAB-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Cl)cc1 225634543 IFYXSDKOCXRSGK-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)c(F)c1 225636082 FIDARLDTNNDBKK-GFCCVEGCSA-N 336.407 4.027 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1F 225699938 OXANYQBLSWFXQV-UHFFFAOYSA-N 326.198 4.334 0 40 EIAB Cc1cccc([C@@H](NC(=S)Nc2cccnc2)c2ccccc2)c1 225701678 BWCWEEQTUNRQRR-IBGZPJMESA-N 333.460 4.466 0 40 EIAB Cc1cccc(NC(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)c1 225739707 SLGCTAUZXAWOLA-GOSISDBHSA-N 347.418 4.228 0 40 EIAB COc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 225769490 RJEIROMFEDUKKF-MRXNPFEDSA-N 340.423 4.428 0 40 EIAB CCOCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225777332 AXBUNAWTSHOMIR-UHFFFAOYSA-N 347.842 4.075 0 40 EIAB COc1ncc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225867782 OGRUSPFYVGZCJN-UHFFFAOYSA-N 342.414 4.378 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225900802 KEWSYRCRBPPVQB-MGPUTAFESA-N 348.487 4.493 0 40 EIAB CC1(C)CN(C(=O)CCCC2CCOCC2)CC[C@H]1C(F)(F)F 252502137 UMXLWQLDRQQVDZ-CQSZACIVSA-N 335.410 4.020 0 40 EIAB Cc1cc(C=O)cc(C)c1OC(=O)c1ccccc1Br 256050576 FPOLVXYIKSDWMR-UHFFFAOYSA-N 333.181 4.098 0 40 EIAB CC(=O)c1csc(C(=O)N(Cc2cscn2)c2ccccc2)c1 390833411 HCKYQOYLQNYMOV-UHFFFAOYSA-N 342.445 4.254 0 40 EIAB O=C(Nc1nc(C2CCC2)cs1)N1CCOC[C@H]1c1ccccc1 579070505 LQUCBYHSNWIPEV-INIZCTEOSA-N 343.452 4.016 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)O)Cc2ccc(Cl)cc2)c1 35496 SFQODLJFJVFFPZ-OAHLLOKOSA-N 345.826 4.229 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 38442 SIXNEKYYXQKAFC-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB COc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1 54140 SERVFMGGHXRLTN-UHFFFAOYSA-N 325.195 4.266 0 40 EIAB Cc1cc(C)cc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 82650 CMISLEJXFSWJRI-UHFFFAOYSA-N 347.340 4.311 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccc(F)cc2)s1 272072 KVHHNXNJNPMJLT-BQYQJAHWSA-N 328.368 4.118 0 40 EIAB Fc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 385319 RHUWIOUJHMYTPS-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB CCC(=O)Nc1ccccc1SCC(=O)Nc1ccc(C)cc1C 414834 CFDZKJVIYUYUIX-UHFFFAOYSA-N 342.464 4.383 0 40 EIAB CC[C@@H](C)CNCCCCCNc1cc(OC)cc2cccnc12 1687532 NIVAWDJSAYOWEW-MRXNPFEDSA-N 329.488 4.461 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 2631406 HWIWGYZWLZZVSS-UHFFFAOYSA-N 329.197 4.112 0 40 EIAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2)c1 2723018 PYGAGBXQUYOYTJ-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1 3433323 WDBFGKQZAGYOPH-UHFFFAOYSA-N 326.215 4.162 0 40 EIAB COc1cc(OC)c(OC)cc1/C=C/c1ccc2cccc(O)c2n1 4140897 CQOXCIQHNWFXPO-CSKARUKUSA-N 337.375 4.137 0 40 EIAB Cc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1C 4357741 LXKYEOBUQVIVMW-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB Cc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1 4588697 IWVSHSUGXFBGGC-GDNBJRDFSA-N 331.293 4.358 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1nonc1-c1cccs1 6669634 JVQZAVZFWHUZIY-UHFFFAOYSA-N 335.388 4.133 0 40 EIAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 7218044 KBMDJVNGAYNEKH-VIFPVBQESA-N 348.226 4.172 0 40 EIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 7820530 QARKRBWWDRFFNA-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB Cc1ccc(Cl)c(NC(=O)CN(C)Cc2ccsc2)c1Cl 7926836 KCPVJXUPOGMHTO-UHFFFAOYSA-N 343.279 4.434 0 40 EIAB Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccccc2)cc1 8010911 FHZSICBWTIHXMM-UHFFFAOYSA-N 329.399 4.156 0 40 EIAB CCSc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1C 8477896 YEWIYOCBLKAYLG-UHFFFAOYSA-N 329.421 4.146 0 40 EIAB COc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8534856 OEIYAWJDENSTAW-RWLLOJOVSA-N 329.484 4.398 0 40 EIAB C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CCSc2ccccc21 8728527 CMXRZRFRIQCFQP-PBHICJAKSA-N 326.465 4.230 0 40 EIAB CC(C)NC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854290 WTNJSMHHJZUIHN-UHFFFAOYSA-N 340.901 4.156 0 40 EIAB COc1ccccc1[C@H](C)N[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 8940137 QUOORQRBPDMIDV-GJZGRUSLSA-N 337.423 4.465 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)cc1 9212201 QTPQCQZREZTFPN-UHFFFAOYSA-N 330.395 4.159 0 40 EIAB CCOc1ccc(CN(CC)C(=O)Nc2ccccc2F)cc1OC 10405664 WLNBZVAJSCUVHS-UHFFFAOYSA-N 346.402 4.287 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c1 12475309 WDPGLZHDHYZMKZ-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 13494927 CLFSLXJCEBJQLA-JTQLQIEISA-N 345.761 4.020 0 40 EIAB C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 13786602 MURCKSBIXTZDAY-NSHDSACASA-N 335.270 4.497 0 40 EIAB biogenic CCN(CC)c1ccc(NC(=S)NCc2ccc(C)cc2)cc1 13799036 FYCCQAZBACPTIO-UHFFFAOYSA-N 327.497 4.328 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccccc1 13931554 OTORTTZRLCSWIH-OAHLLOKOSA-N 330.453 4.142 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(C(C)C)n[nH]1 14111508 VXCKJWUCQCMWQC-LLVKDONJSA-N 328.441 4.081 0 40 EIAB CN(C)C(=O)c1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1 15114262 KASILFXYKCNHPO-UHFFFAOYSA-N 343.736 4.199 0 40 EIAB ClC1=C(Cl)[C@]2(Cl)[C@@H]3COC[C@@H]3[C@@]1(Cl)C2(Cl)Cl 17300351 CKPWHXBGVRURFU-DDYGQXQVSA-N 342.864 4.095 0 40 EIAB Brc1cc(CN2CCOCC2)c(-c2ccccc2)s1 19800857 PPQRMYGZANUUGZ-UHFFFAOYSA-N 338.270 4.010 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(C)cc1 20036754 XDNZQOBWVYAZAV-QGZVFWFLSA-N 335.494 4.147 0 40 EIAB COc1cc2cc[n+](Cc3ccc(Cl)cc3Cl)cc2cc1OC 23746815 JNMZNSZPBGRWOD-UHFFFAOYSA-N 349.237 4.500 0 40 EIAB O=C(Nc1cccnc1)C1(c2ccc(Br)cc2)CCCC1 24430504 KKKPVRRUCFCBII-UHFFFAOYSA-N 345.240 4.295 0 40 EIAB O=C(Nc1nonc1-c1cccs1)c1ccc(Cl)cc1Cl 27663394 OMLWEWYCEWWYDA-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2nc1C 32740785 HGZNVNAHNMPEJI-KRWDZBQOSA-N 337.448 4.285 0 40 EIAB Cc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)c(C)c1 36392973 QNPXMKSETARKJM-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)oc12 38490058 IRXLNNMBAIFORO-UHFFFAOYSA-N 333.347 4.084 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H](C)c4ccccc43)cn2)n1 48301653 DLPBJVIGLONSHA-AWEZNQCLSA-N 346.434 4.038 0 40 EIAB CCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 54313688 RFHWZODNVBXXQQ-UHFFFAOYSA-N 339.366 4.161 0 40 EIAB CN1CCN(C(=O)Nc2cccc3c2CCCC3)[C@@H](c2ccccc2)C1 58077662 DTUMMFCGCBHJHQ-OAQYLSRUSA-N 349.478 4.086 0 40 EIAB CCN1CCN(C2=Nc3c(Cl)cc(Cl)c4cccc2c34)CC1 58168426 DFDXVZCNFLSFTH-UHFFFAOYSA-N 334.250 4.176 0 40 EIAB O=C(CCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 60866784 IWFODIFQJPDPID-UHFFFAOYSA-N 325.427 4.240 0 40 EIAB CCCC(C)(C)NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 65041914 FQBYJUSTDRSZDK-UHFFFAOYSA-N 334.460 4.490 0 40 EIAB CCc1c(C(=O)N(C)c2nc([C@@H](C)CC)cs2)[nH]c(C)c1C(C)=O 65552602 FSGKKVDFSGSEDJ-JTQLQIEISA-N 347.484 4.335 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc2oc(=O)ccc2c1 65614614 XNKVXDZURZAMRZ-NSHDSACASA-N 328.393 4.079 0 40 EIAB Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 71853754 XUMPDQFXBMVUQZ-SNVBAGLBSA-N 327.211 4.052 0 40 EIAB Nc1cc(Br)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 73634585 QXRATIDJTJAKHR-UHFFFAOYSA-N 339.576 4.199 0 40 EIAB Cc1noc(C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 75145991 JXLCJKKGMDRTTQ-GFCCVEGCSA-N 347.724 4.370 0 40 EIAB O=C(OCc1nc(-c2ccco2)no1)c1cc2c(s1)CCCCC2 84436678 BGCVAYNMICWQLI-UHFFFAOYSA-N 344.392 4.017 0 40 EIAB COc1ccccc1[C@H](C)CC(=O)OCc1ccc(Cl)nc1C 89536929 FBCKBEOLROEBNT-GFCCVEGCSA-N 333.815 4.289 0 40 EIAB Cc1ccc2c(-c3ccccc3)nc(N3C[C@@H](C)O[C@H](C)C3)nc2c1 95115981 XBZIWRYPXVTDGX-HZPDHXFCSA-N 333.435 4.219 0 40 EIAB CC(C)N1CC[C@H](Nc2nc(-c3cccs3)nc3ccccc23)C1 95377631 IEOBRRPCNMSPQH-AWEZNQCLSA-N 338.480 4.253 0 40 EIAB OCc1ccc(CNc2cccc(CSc3ccccn3)c2)o1 95428859 CARPDWJGGRZAJK-UHFFFAOYSA-N 326.421 4.071 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1ccccc1 96013056 YZPGYFVPKFQLDG-GOSISDBHSA-N 349.438 4.001 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 96459617 DHYVUIXZOJHWCJ-QAPCUYQASA-N 334.460 4.063 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccncc1)C2 102148703 HRGAOXDSIXXYEJ-XLSPSMHOSA-N 327.472 4.143 0 40 EIAB CC1CCN(Cc2csc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)CC1 107133668 GWTBKBBXVPMIIU-HRCADAONSA-N 347.528 4.140 0 40 EIAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1cccc2ccccc12 207992162 HPBPTGWWGWKOFZ-IBGZPJMESA-N 330.431 4.239 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCS[C@@H](c2ccccc2)CC1 211141739 FJURAWRWCYQKJV-QGZVFWFLSA-N 333.403 4.285 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 219527869 KUPUMFHEDSQLGW-GOSISDBHSA-N 325.452 4.128 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccc(Cl)cc1 219573247 HAAFLSFSHLXYID-KRWDZBQOSA-N 349.833 4.386 0 40 EIAB CC(C)C(NC(=O)[C@H](C)Oc1ccc(Br)cc1)C(C)C 219675894 NPUUVKCOUNNVPV-LBPRGKRZSA-N 342.277 4.013 0 40 EIAB COc1cccc(CCCNC(=O)CCc2ccccc2Cl)c1 220015232 QZPKDNMWMVWGBU-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc2ccccc2c1 223639558 YMINLSKUDZHCAY-OAQYLSRUSA-N 349.430 4.192 0 40 EIAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1OC 223679688 BGGOTWIVWCXUIU-UHFFFAOYSA-N 339.844 4.020 0 40 EIAB CC[C@@H](NC(=O)CCc1ccccc1F)c1ccc(OC)c(C)c1 223907573 BPSVWPHFNDSRCD-GOSISDBHSA-N 329.415 4.343 0 40 EIAB COc1ccc(C(=O)NCCC(C)C)cc1COCc1ccccc1 224355840 LHUPETNBZNUNJY-UHFFFAOYSA-N 341.451 4.188 0 40 EIAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NC(C)C)o2)c1 224896988 DVFLBTITTMRRGI-UHFFFAOYSA-N 336.391 4.155 0 40 EIAB COc1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225589870 NUJGZPYWAQICKW-UHFFFAOYSA-N 338.542 4.438 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 226287677 SFWHTDASXMWKNB-UHFFFAOYSA-N 342.398 4.408 0 40 EIAB CCOc1ccc(-c2nc(O)c3c(C)c(C)sc3n2)cc1OCC 408735848 YMHPMKMVDREDQX-UHFFFAOYSA-N 344.436 4.478 0 40 EIAB O=C1N[C](Nc2ccccc2F)S/C1=C\C=C\c1ccccc1 408802162 XFTCSHZKQZZHHG-UHFFFAOYSA-N 325.388 4.145 0 40 EIAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccco1 408848044 WQYQYAIOVSBSCD-DHZHZOJOSA-N 329.764 4.492 0 40 EIAB CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OC 409107189 VOLWFWRLXSCBHE-BOPFTXTBSA-N 327.405 4.179 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CSCc1ccccc1 575415735 ZQUSYLFSGFGPHW-OAHLLOKOSA-N 339.460 4.413 0 40 EIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 575617229 MURXRTZSKQUFQX-CQSZACIVSA-N 339.826 4.085 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCCc2sccc2C1 592981612 ADEGNTCRFFDCRO-CYBMUJFWSA-N 348.899 4.485 0 40 EIAB O=Cc1ncc(Br)cc1OCc1ccc2ccccc2c1 1559474301 ISBGRJXSCWCLKR-UHFFFAOYSA-N 342.192 4.389 0 40 EIAB COc1ccccc1NC(=O)N[C@H](c1cccs1)C1CCOCC1 1565523807 WWOIECCEWKSANP-KRWDZBQOSA-N 346.452 4.046 0 40 EIAB Cc1nc2ccccc2n1C1CN(C(=O)Nc2ccccc2Cl)C1 1775974556 VOYTYZJEHLKCEW-UHFFFAOYSA-N 340.814 4.087 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1OC 1934594 YEXBMOFRXHHHRA-VZUCSPMQSA-N 329.371 4.275 0 40 EIAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CC1 1990632 MTZUVLYJHNNYEK-UHFFFAOYSA-N 333.384 4.079 0 40 EIAB COC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C(C)(C)C)C2 1990728 RFWJJMKHMCRKBN-LLVKDONJSA-N 335.469 4.034 0 40 EIAB CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 2450096 IIVRUFAQERDHTG-HYSAVQALSA-N 333.435 4.480 0 40 EIAB COc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1OC(F)F 2634815 LLPHYFDAUBHIAQ-UHFFFAOYSA-N 345.704 4.341 0 40 EIAB CCCCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 2721310 OUBZOUKBOLVITE-INIZCTEOSA-N 335.451 4.256 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 3097283 IVFTZBNUSRCRLK-HWPZZCPQSA-N 326.223 4.309 0 40 EIAB CCCC[C@@H](CC)C(=O)Nc1ccc(I)cc1 3159620 PEUOCYJGTOJYMW-LLVKDONJSA-N 345.224 4.446 0 40 EIAB O=C(Cc1cccs1)Nc1nc(-c2cc(F)ccc2F)cs1 3325869 AQFSOUKFBBYGGZ-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB COc1ccc(OCCN2CCC3=C(CCc4ccccc43)C2)cc1 4090705 POPJAFISZZWJIF-UHFFFAOYSA-N 335.447 4.180 0 40 EIAB Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cnccn2)cc1 4108449 TYHIHGSHMJEFRH-UHFFFAOYSA-N 337.810 4.285 0 40 EIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2)N3)C1 4545416 ATHVFMNONXMGFT-QLJPJBMISA-N 328.437 4.398 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 4700717 BWUGVKZZTOOPOG-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccccc1C(=O)NCCc1csc(-c2cccc(F)c2)n1 5137445 MCCBCHBTBLHZQG-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB COc1cc(CSc2nc3ccccc3o2)cc(OC)c1OC 6380820 MOOQHLBZBVKWSS-UHFFFAOYSA-N 331.393 4.146 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1C(F)(F)F 6969728 HORQIDZMEITVHI-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1 7071639 JAOBOSZLQTZJCK-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB O=C(Cc1c(F)cccc1Cl)OCc1ncc(-c2ccccc2)o1 7107917 LBBZPNNTUIIDPK-UHFFFAOYSA-N 345.757 4.420 0 40 EIAB Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1C 7757085 KRLYHEMNVFTRJT-UHFFFAOYSA-N 326.415 4.046 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137442 FDXCYHOYCVFION-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccccn2)cc1 11914730 INNVULBPNODUBM-UHFFFAOYSA-N 346.430 4.311 0 40 EIAB O[C@@H](CNC1CCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421958 HYLHIIQLLYTSNA-HNNXBMFYSA-N 346.902 4.067 0 40 EIAB Fc1ccc(-n2ncc3c(N[C@H]4CCc5ccccc54)ncnc32)cc1 12751323 KEOINVNMKATGHV-SFHVURJKSA-N 345.381 4.054 0 40 EIAB O=C(Nc1ccccc1F)c1csc(COc2ccc(F)cc2)n1 12774046 ULZCDMIKKUAUEN-UHFFFAOYSA-N 346.358 4.253 0 40 EIAB CCCN(CCC)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13939847 HOYSYKQLYKWUDL-UHFFFAOYSA-N 344.691 4.458 0 40 EIAB COc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)sc2C)cc1 14501688 SGIAGLYBWMJUHC-IVMMDQJWSA-N 340.448 4.278 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1cccc(C(F)(F)F)c1 14789985 MZHYPVRCGJXRTF-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 16087212 MFZLJJAVCPERHJ-ZDUSSCGKSA-N 329.396 4.018 0 40 EIAB CCc1ccc(N2C(=O)CS[C@@H]2c2cccc(OC)c2OC)cc1 17198432 JGBOVKGZUVKLNL-LJQANCHMSA-N 343.448 4.045 0 40 EIAB O=C(/C=C/c1ccco1)Nc1c(-c2ccccc2)nc2ccccn12 17366961 RRZMORGYVWZWLY-VAWYXSNFSA-N 329.359 4.246 0 40 EIAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccco1 18235219 RVLBCXXMEMGAQE-UHFFFAOYSA-N 328.271 4.040 0 40 EIAB c1csc(-c2nnc(C3CCN(Cc4ccsc4)CC3)o2)c1 19344876 NJCIZJGJYQJHDM-UHFFFAOYSA-N 331.466 4.239 0 40 EIAB CSc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 19935010 BLOAIWFVFRJXAS-LBPRGKRZSA-N 335.856 4.318 0 40 EIAB O=C(Nc1ccccc1SCc1ccsc1)C1CCOCC1 21707746 UPOMCLNBAZVQDE-UHFFFAOYSA-N 333.478 4.406 0 40 EIAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 21960608 AZKQXCNQNSUKFY-CQSZACIVSA-N 338.382 4.291 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(F)c(F)c1 27065827 MIHLHRNVFGXVKE-UHFFFAOYSA-N 349.402 4.045 0 40 EIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1cccc(F)c1 28305175 KJOWRYXPZUGOCG-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1ccc(OC[C@@H]2CCCO2)cc1 32731971 PDZUZUADFVUHMO-SFHVURJKSA-N 348.402 4.045 0 40 EIAB Cc1cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)sc1C 32753509 QMHVBACXCAFTQK-UHFFFAOYSA-N 349.406 4.382 0 40 EIAB Oc1ccccc1-c1nc2cnccn2c1Nc1cccc(Cl)c1 35616176 OFXZOIGGNISQOR-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@@H](c2cccc(O)c2)C1 36358030 LXFGWGLZEXESRT-CYBMUJFWSA-N 339.782 4.355 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C 36620964 MEKSLWUMDBBUQS-SFHVURJKSA-N 349.883 4.483 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 38772458 XJZUDDPLFHGFTC-LSDHHAIUSA-N 329.465 4.194 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCC2CCCC2)c1 40007747 IYIPECXNGOGYTM-GOSISDBHSA-N 331.456 4.338 0 40 EIAB COc1cc(NC(=O)N[C@H](c2cccs2)C(C)C)cc(OC)c1 40024000 ZQGJDWLFWRWVME-INIZCTEOSA-N 334.441 4.284 0 40 EIAB Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)no1 41136544 WCLMJAAOHCDDJD-OAHLLOKOSA-N 332.812 4.217 0 40 EIAB COc1ccc2nc(-c3ccccc3)cc(SCC(=O)O)c2c1 44903489 HTBPPFSKVNJHTM-UHFFFAOYSA-N 325.389 4.087 0 40 EIAB CCCCCOc1ccc([C@@H](C)NC(=O)c2ccoc2)cc1OC 48354936 YKGNMXIVQFZNSA-CQSZACIVSA-N 331.412 4.348 0 40 EIAB Cc1cc2nc(SC[C@@H](O)c3ccccc3)c3ccccc3n2n1 52427104 HDZTXMCTUXSPSQ-QGZVFWFLSA-N 335.432 4.017 0 40 EIAB Cc1ccc2nc(NC(=O)[C@@H](c3ccccc3)n3cccn3)sc2c1 58406469 LQLQQRPOZBDDHQ-QGZVFWFLSA-N 348.431 4.029 0 40 EIAB Clc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1 59860055 IKHUKLQDWXAECD-UHFFFAOYSA-N 325.843 4.144 0 40 EIAB CCSc1cc(C(=O)NCC(C)(C)c2ccccc2F)ccn1 60338129 HECXODDPRTVDAB-UHFFFAOYSA-N 332.444 4.040 0 40 EIAB CCCN(C(=O)c1ccccn1)[C@@H](c1ccc(F)cc1)c1cccnc1 72277506 KNZGWYRVOCALJY-FQEVSTJZSA-N 349.409 4.258 0 40 EIAB CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(F)c(F)c1 75449929 XEQJODSSDNGNEK-UHFFFAOYSA-N 328.318 4.287 0 40 EIAB Cc1ccccc1-n1cc(C(=O)Nc2ccccc2OCC2CC2)cn1 76932376 KHTIRLKOOGSCDP-UHFFFAOYSA-N 347.418 4.222 0 40 EIAB CCCN(C)C[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 81571118 KRYMVIMIPBDXAH-OAHLLOKOSA-N 347.890 4.159 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nn1 89913520 KCIYPNPHESSDIQ-ZDUSSCGKSA-N 349.419 4.171 0 40 EIAB CCc1oc2ccccc2c1CN(C)C(=O)C[C@@H](O)c1ccccc1 91031104 YQMOMFSGSSCJLB-GOSISDBHSA-N 337.419 4.077 0 40 EIAB O=C(NNc1ccc(F)cc1)C1(c2ccc(F)cc2)CCCCC1 95373569 WNJVEGPEMHSLJE-UHFFFAOYSA-N 330.378 4.310 0 40 EIAB Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)o1 96417640 JIVJLGKELBEYTC-KBPBESRZSA-N 339.395 4.364 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223209710 ZYSGJBJMQODIIS-IAGOWNOFSA-N 337.463 4.437 0 40 EIAB COc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 225769506 RJEIROMFEDUKKF-INIZCTEOSA-N 340.423 4.428 0 40 EIAB O=C(CCc1ccccc1F)NCc1ccnc(-c2ccsc2)c1 390826492 MLQIBEKXTMYWDY-UHFFFAOYSA-N 340.423 4.198 0 40 EIAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 390831934 WBVYUPVDCFVYRK-QGZVFWFLSA-N 348.512 4.171 0 40 EIAB Cc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1 409098974 RSCIQMIUJWLEQW-UHFFFAOYSA-N 345.431 4.184 0 40 EIAB CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccc3ncsc3c2)C1(C)C 681627727 RDSINRZPYCVJMU-DFBGVHRSSA-N 344.480 4.115 0 40 EIAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775968656 JKRROWWWAZAJGX-AWEZNQCLSA-N 342.420 4.172 0 40 EIAB CC(=O)c1cc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc1C 76095 QYTONHYDEFEMEC-UHFFFAOYSA-N 344.823 4.274 0 40 EIAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3Cl)[C@]21C 545021 TUSYMUCMUXZBFQ-FQEVSTJZSA-N 340.854 4.196 0 40 EIAB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)c2ccco2)cc1 1006608 DCGIPQDGLVYLHB-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1Br 1690708 YQQOAUFAXVLCII-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB O=C(NCc1ccccc1Cl)c1c2c(nc3ccccc13)CCC2 2645573 NBWHMZLOJWLLLC-UHFFFAOYSA-N 336.822 4.307 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2ccccc2c1 3334481 CMMIMCMSBLDOEE-UHFFFAOYSA-N 334.375 4.059 0 40 EIAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 3399070 VRUBSGRKRVURBT-UHFFFAOYSA-N 347.370 4.100 0 40 EIAB O=C(OCCCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 3892238 DJUUFBXJNREIER-UHFFFAOYSA-N 338.451 4.255 0 40 EIAB Cc1cc2cc(CNC(=O)c3ccccc3C(F)(F)F)ccc2n1C 4061527 AQSZOVFEYZVLLY-UHFFFAOYSA-N 346.352 4.436 0 40 EIAB O=C(c1ccco1)N(Cc1ccccn1)c1nc2ccccc2s1 4304737 AXAQIGROEOPFBM-UHFFFAOYSA-N 335.388 4.131 0 40 EIAB Cc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)cc1C 4857038 LVWKBDNUMXTIGX-JLYLLQBASA-N 343.540 4.138 0 40 EIAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 4940403 YIYKNYRJWQLSDD-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1cc(COC(=O)c2ccc3noc(-c4ccccc4)c3c2)no1 5108849 CDLLWMVSJKVOET-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc(C)c1C 5145518 JLOCPBWVNKYNTQ-UHFFFAOYSA-N 347.436 4.191 0 40 EIAB COC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 5288128 UHUXZDOWKJPESL-JTQLQIEISA-N 330.434 4.012 0 40 EIAB CCCCC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 5711526 FREHSFWPSONFQC-UHFFFAOYSA-N 328.803 4.203 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C)c1 5827136 UJJAIGQUUDBRNF-CYBMUJFWSA-N 325.437 4.001 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 6968461 RVBYMTDZOQYUAK-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2)o1 6993472 GHKYYAUMAITSEJ-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB O=C(COc1ccc(CNc2ccccc2)cc1)Nc1ccccc1 7095727 AJPKNNSVGVBXFE-UHFFFAOYSA-N 332.403 4.316 0 40 EIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCC(=O)c1ccccc1 7778955 MYPOGZKVXONUJH-DHZHZOJOSA-N 334.293 4.145 0 40 EIAB CC(C)OCc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 7783287 GORVTGAYLGVWNE-UHFFFAOYSA-N 341.407 4.025 0 40 EIAB O=C(Cc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1 9523536 NNGZIDDXPNEKPW-UHFFFAOYSA-N 347.443 4.327 0 40 EIAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 12796224 CJJYOEBSCZXWCV-GFCCVEGCSA-N 349.887 4.281 0 40 EIAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(-c2ccc(F)cc2)s1 12851960 DKTXMWJIEJCVED-UHFFFAOYSA-N 347.411 4.072 0 40 EIAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1 13002493 FCRLXAOAFMUYCJ-CYBMUJFWSA-N 338.432 4.310 0 40 EIAB COc1ccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1 13124386 CDRIVDZETXIUJQ-FQEVSTJZSA-N 344.418 4.049 0 40 EIAB Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 15935664 BGAGMFBBRRFLMF-UHFFFAOYSA-N 340.398 4.261 0 40 EIAB CCn1nc(C)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1C 27983167 CFJDUHDZPYIECV-UHFFFAOYSA-N 347.418 4.003 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ccc(F)c(F)c1F 28210589 VHBBORARVCEZHA-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2csc(C)n2)c1 28251587 LFJLOUKZVIUQPL-CQSZACIVSA-N 346.496 4.010 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 30753289 GXBMCRDFDOMHGH-JTQLQIEISA-N 340.206 4.408 0 40 EIAB CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Oc2ccccc2)cc1 32960829 USEVFGBXFDSJRU-WBVHZDCISA-N 325.408 4.118 0 40 EIAB C[C@H]1CCc2nc3ccccc3c(C(=O)OC[C@@H]3CCCCO3)c2C1 32964021 DDMJMHYIUTXHRB-GJZGRUSLSA-N 339.435 4.086 0 40 EIAB F[C@]1(C2CCNCC2)c2ccc(Cl)cc2CCc2cccnc21 33968659 UTRNCHWURQHTSN-LJQANCHMSA-N 330.834 4.046 0 40 EIAB in-vitro CC[C@@H](C(=O)N1CCC(c2nnc(C(C)C)o2)CC1)c1ccccc1 35597641 NMWWXZVVGFCPIO-QGZVFWFLSA-N 341.455 4.093 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl 36620613 IICJGEWYENTLHA-INIZCTEOSA-N 335.856 4.174 0 40 EIAB O=C(c1ccc(Br)s1)N1CCCCc2ccccc21 40133939 GPZLVMOQYDEASR-UHFFFAOYSA-N 336.254 4.494 0 40 EIAB CC1CCN(C(=O)Cc2cccc(-c3nc4ccccc4o3)c2)CC1 41127620 CDVNZIOPXSKANG-UHFFFAOYSA-N 334.419 4.296 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1 42364574 KFJMMAPYYLYENX-LLVKDONJSA-N 336.794 4.317 0 40 EIAB CCCn1cc(NC(=O)c2sccc2-c2ccccc2)ccc1=O 57143751 YIIIPYCERVJTHL-UHFFFAOYSA-N 338.432 4.239 0 40 EIAB O=[S@@](Cc1ccc(Cl)cc1)Cc1cc(-c2ccccc2)on1 57991576 KEFMNRASUGSEHF-JOCHJYFZSA-N 331.824 4.444 0 40 EIAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)o1 65533884 KRWGGACGYUIXMT-KBXCAEBGSA-N 347.418 4.132 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H]1c1ccccc1 69435601 NJAIEXWHKUZQSB-KRWDZBQOSA-N 336.391 4.149 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cn1 69776079 GEYABAVFVSXYOO-UHFFFAOYSA-N 332.407 4.014 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(F)c(C)c2)c1 71760597 ZYNBJPAIOVOLNM-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CC(C)CN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214442 ZJHPYRKRGMJRBG-INIZCTEOSA-N 333.476 4.246 0 40 EIAB CC[C@H]1CN(C(=O)c2oc(-c3ccccc3)nc2C)c2ccccc2O1 74065401 YYSQNLLPAKELDG-INIZCTEOSA-N 348.402 4.468 0 40 EIAB CCN(C(=O)N[C@H](C)c1c(F)cccc1OC)[C@@H](C)c1cccnc1 78946995 NZJRMVOQOGOZRN-KGLIPLIRSA-N 345.418 4.083 0 40 EIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccc(Br)c(Cl)c1 95096013 GERLPSVNIVEVPF-XVKPBYJWSA-N 345.542 4.121 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2F)[C@@H](c2ccccc2)SC1 95479428 NVZOXARXYIZKDW-QGZVFWFLSA-N 339.395 4.436 0 40 EIAB CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)NC(=O)CC2 95965235 CKXJSIHNBDBBGF-INIZCTEOSA-N 329.444 4.004 0 40 EIAB C[C@]1(C(=O)Nc2cccc(F)c2)CC(c2ccccc2Cl)=NO1 96192863 XRHMGXBWNAAOCQ-QGZVFWFLSA-N 332.762 4.001 0 40 EIAB Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccccn3)cs2)s1 96224180 LLXKYOBESPHBBO-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB CCC(=O)N1CCC(N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 97016566 KLILUWGKQWFEPS-JTQLQIEISA-N 347.261 4.184 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cc(C)oc2C)o1 97161851 HKUNMSQQWAECSU-DYVFJYSZSA-N 346.427 4.244 0 40 EIAB Cn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2ccccc21 100837527 LEHOWWNYBBOPQI-SSZFMOIBSA-N 343.260 4.349 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 110154964 LGUCREHQNGGYFQ-UHFFFAOYSA-N 339.435 4.081 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 195529918 LCSQDVGQLONUGF-QHAWAJNXSA-N 328.415 4.091 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Sc1ccccc1 223746809 XKKKSXLXZWAHDT-MRXNPFEDSA-N 343.492 4.486 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc(Cl)cc1F 224074615 JSFGDFYZHRDAEC-GOSISDBHSA-N 347.817 4.224 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CCSCc1ccccc1 224558857 DMJVQPLMOJDFKS-OAHLLOKOSA-N 329.465 4.196 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC1CCCC1 224760035 JXDUUHBKSKNGNE-INIZCTEOSA-N 341.904 4.289 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=O)Nc3ccccc3)ccc21 225130656 OISFPGYNNJTXBY-UHFFFAOYSA-N 327.409 4.288 0 40 EIAB Cc1cc(C)c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 225650333 AASKWZFAKKSRQO-UHFFFAOYSA-N 336.435 4.299 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C(=O)N(C)c3ccccc3)c2)n1 225914842 OVSDQDIRZRXDES-UHFFFAOYSA-N 332.407 4.114 0 40 EIAB CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Cl)ccc1OC 226261424 UWDNNPXWRUYUOG-UHFFFAOYSA-N 347.846 4.029 0 40 EIAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1cccc(Cl)c1 256051670 KCKXFNOYUKUELC-VOTSOKGWSA-N 330.767 4.274 0 40 EIAB C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc2c(F)cccc2c1 582196041 GCKLWESSZVZNCJ-DOTOQJQBSA-N 348.421 4.467 0 40 EIAB O=C(N[C@@H]1CCCOCC1)[C@H](c1ccccc1)c1ccc(Cl)cc1 613277603 HQWKTMVFVVRXNA-RTBURBONSA-N 343.854 4.157 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc(F)cc1 140454 UNWYOYFLGMANQV-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC(C)=O 178273 FVMKJEVPLWCLMC-UHFFFAOYSA-N 343.404 4.103 0 40 EIAB biogenic COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 354644 VYLAUBPVQFNHMX-NVNXTCNLSA-N 348.185 4.347 0 40 EIAB Cc1ccc(Cn2ncc3c(Nc4ccc(C)cc4)ncnc32)cc1 521277 FTYJVJJYTRJAEI-UHFFFAOYSA-N 329.407 4.235 0 40 EIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cccc(C)c1 547141 UVCWWFZVLFZVTF-UHFFFAOYSA-N 340.354 4.044 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C 1254673 NCDRJWVNAHAVCP-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB CC(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1 2701234 QCLLLGZOIIQXHH-UHFFFAOYSA-N 336.416 4.168 0 40 EIAB Cc1ccc([C@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786799 KUBBTCLXNNKWNA-CABCVRRESA-N 346.459 4.407 0 40 EIAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O 2889876 WXQSSBHWKHCUSN-YJYMSZOUSA-N 340.448 4.126 0 40 EIAB Cc1ccc(N2C(=O)/C(=C/c3cccs3)N(C)C2=S)cc1Cl 3316420 CWKPQXFPNLQYJL-ZROIWOOFSA-N 348.880 4.314 0 40 EIAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 3433513 PAZAYSWJIZATQD-UHFFFAOYSA-N 344.842 4.130 0 40 EIAB CSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 4517641 GWKBKABDBZDPFB-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB CC(=O)C1=NN(c2ccccc2)C2(S1)C1CC3CC(C1)CC2C3 4727423 ZEVVCXQOMUEPFN-UHFFFAOYSA-N 326.465 4.295 0 40 EIAB COc1ccc(-c2cc(C)[n+]3c(O)c(-c4ccccc4)sc3n2)cc1 4996301 CTSNDTDFBHUMMI-UHFFFAOYSA-O 349.435 4.238 0 40 EIAB CC(C)(C)c1ccc(OCCn2c(=O)sc3ccccc32)cc1 5234816 HWCZARISJZAUGS-UHFFFAOYSA-N 327.449 4.440 0 40 EIAB O=C1Oc2ccccc2[C@H]2ON=C(c3c(Cl)cccc3Cl)[C@@H]12 5379437 PYWVDDLPQZNQMF-UKRRQHHQSA-N 334.158 4.004 0 40 EIAB CCc1cccc(OCCOC(=O)c2cc(C)nc3ccccc23)c1 7782281 UDOWJJGMULMVNE-UHFFFAOYSA-N 335.403 4.341 0 40 EIAB COc1ccc2cc(CN(C)C(=O)Cc3ccc(C)cc3)ccc2c1 8360973 NZIYDOJFPANGMP-UHFFFAOYSA-N 333.431 4.358 0 40 EIAB CC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 8944129 RTUVJKRQUPPYEP-INIZCTEOSA-N 341.411 4.044 0 40 EIAB CN(C)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 8991381 FDDAOPCLRIVBLL-UHFFFAOYSA-N 335.451 4.485 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3)no2)cc1 11915125 HVIHTKOUOFUOAS-UHFFFAOYSA-N 338.363 4.001 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)c1 11915459 UNDMAZFEJZMDAI-ZDUSSCGKSA-N 342.439 4.249 0 40 EIAB CC(C)c1nnc2n1N1C(=CS[C@H]1c1ccc(Cl)cc1)S2 12323393 BVIPMTLFAHVKTM-ZDUSSCGKSA-N 336.873 4.343 0 40 EIAB C[C@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(SC(F)F)cc1 12622115 GXSXNTZRFALJLS-PHIMTYICSA-N 345.484 4.466 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)cc2F)n(Cc2ccccc2)n1 12779606 JVUABPXVCNLGDN-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12784020 ALAHJCDUXJGVOL-GFCCVEGCSA-N 342.395 4.355 0 40 EIAB CN(C)[C@@H](CNc1ncnc2cc(Cl)ccc12)c1cccs1 12867773 UAXGFSSWJBRGMH-AWEZNQCLSA-N 332.860 4.060 0 40 EIAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1F 12986403 NDDRRDDUVXCCGS-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 14117006 CQEZTTYIYJCUHO-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB CCOc1ccccc1C(=O)N(Cc1ccc(C)o1)c1ccccn1 15669864 HDBDIALBJUDVSW-UHFFFAOYSA-N 336.391 4.229 0 40 EIAB Cc1nc2cc(C(=O)N3CCC[C@@H](C)C3)ccc2n1-c1ccccc1 16641670 OYJNQYXXCXTFIB-OAHLLOKOSA-N 333.435 4.206 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1F 19736788 CCXFRCAJSLDLNO-CHWSQXEVSA-N 330.403 4.327 0 40 EIAB FC(F)(F)c1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 19889621 UXRSFDGDSYIQEX-MRXNPFEDSA-N 338.417 4.179 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2F)c1 21598606 PUKYNPZQWCHOPO-UHFFFAOYSA-N 342.153 4.171 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 22520435 TVCYXIOYCOPJNJ-MRXNPFEDSA-N 327.424 4.417 0 40 EIAB CC(C)[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 23771741 GLINAESLFFNOQC-HXUWFJFHSA-N 327.399 4.302 0 40 EIAB COc1ccccc1[C@@H](C)N(C)C(=O)NCCSc1ccccc1 27359130 CPDMWIGOQITKNX-OAHLLOKOSA-N 344.480 4.190 0 40 EIAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1ccco1 32647524 GBLYBHNZIACSDC-UHFFFAOYSA-N 347.777 4.186 0 40 EIAB OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1 39199636 GJTGVCFKLBBSNT-UHFFFAOYSA-N 335.369 4.189 0 40 EIAB Cc1cccc(CN2CCC(C(=O)NC(C(C)C)C(C)C)CC2)c1 39743446 XQEITWILMUTGBV-UHFFFAOYSA-N 330.516 4.004 0 40 EIAB COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(OC)c1 40098610 ZXLNUNQIOUXJJN-GFCCVEGCSA-N 332.375 4.068 0 40 EIAB O=C(Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)N1CCCC1 41127138 SYTUVUUKTNVTHT-UHFFFAOYSA-N 340.810 4.313 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 42645601 LPLMPATZADTTRP-UHFFFAOYSA-N 346.814 4.096 0 40 EIAB COc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2)cc1OC 44845733 DFVOWOLAPOEHAY-NSHDSACASA-N 334.803 4.240 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)c1C 58379540 WKJMEWIQFRWMIJ-LJQANCHMSA-N 337.467 4.436 0 40 EIAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccnn1C(C)C 68234932 ATUWLTSRHVWCJJ-UHFFFAOYSA-N 326.425 4.148 0 40 EIAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2/C=C/c2ccco2)cc1 70038065 KFCROCWORHNZMR-DRUFCSCSSA-N 346.386 4.400 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CCCc2cn(C)c3ccccc23)c1 72403619 CZAVLFYASGLJSM-UHFFFAOYSA-N 349.434 4.098 0 40 EIAB CC(C)C(=O)Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1 72405911 KNVVBEMBFTWEAT-UHFFFAOYSA-N 325.368 4.003 0 40 EIAB COc1cccc([C@H](NCc2cc[nH]c2)c2cc(F)ccc2OC)c1 86255638 OPMGNRUALHZHJG-FQEVSTJZSA-N 340.398 4.050 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1/C(=O)Nc2ccccc21 96766858 SEPQYYYQSWVRGE-GZTJUZNOSA-N 349.821 4.386 0 40 EIAB CCc1nc(C)c([C@H](C)NCc2ccc(-n3cccn3)cc2)s1 178089608 YDZQZOMMEFMCHJ-ZDUSSCGKSA-N 326.469 4.050 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Cl)S1 222558813 ZWDRDVQDXSTWIW-RLCCDNCMSA-N 329.856 4.324 0 40 EIAB O=C(Cc1cccc(Cl)c1)NCCSc1ccc(Cl)cc1 222635738 ALHZQSSMZFQTQY-UHFFFAOYSA-N 340.275 4.444 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C)c3C)N21 222692405 CWAUEIIJYLWWCO-JCGIZDLHSA-N 340.496 4.016 0 40 EIAB CCc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1 223371790 BLQZOIHJPTWDOU-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1 224053211 DGQIMFMHASROHW-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C 224282013 DQNIKURCRDQNJD-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COCC(C)C 224452194 YXCUDMGZUQEPHY-UHFFFAOYSA-N 341.451 4.140 0 40 EIAB Cc1ccc(NC(=S)NCC2(c3ccccc3)CCOCC2)cc1 225456906 WTSGCAMUEOCDAI-UHFFFAOYSA-N 340.492 4.030 0 40 EIAB Cc1cccnc1NC(=S)N[C@H](C)CC(C)(C)c1ccccc1 225661690 LLOWUBMWLDBWLS-OAHLLOKOSA-N 327.497 4.433 0 40 EIAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cn1 225895761 QYUYKNKWFPPFHH-UHFFFAOYSA-N 336.476 4.286 0 40 EIAB Fc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1 390833189 DGEDJEREOSASHC-IBGZPJMESA-N 341.817 4.343 0 40 EIAB c1ccc2c(c1)C[C@@H](c1nc(COc3ccc4ccccc4c3)no1)O2 544270127 VZIHVVWGOVEJOH-IBGZPJMESA-N 344.370 4.478 0 40 EIAB O=C(NCc1ccccc1)c1cc(-c2ccco2)nn1-c1ccccc1 254846 BSJNOHZDMYRVST-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB CC(C)CC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 281103 WCKZUSZKNMQYOB-UHFFFAOYSA-N 344.267 4.420 0 40 EIAB CC(C)N(C(=O)CSc1nc(C2CC2)nc2ccccc12)C(C)C 412530 WAWDDRKYTYWWMK-UHFFFAOYSA-N 343.496 4.245 0 40 EIAB COc1ccc2cc(CNc3ccccc3C(F)(F)F)c(=O)[nH]c2c1 421142 ZLMZHDDRILOXGF-UHFFFAOYSA-N 348.324 4.168 0 40 EIAB COC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 1935758 CYKGLGGVZYDGMG-NSHDSACASA-N 344.461 4.320 0 40 EIAB CCCC[C@@H](CC)c1nnc(NC(=O)COc2ccccc2)s1 2070615 NBPPZKDRAQRHJM-CYBMUJFWSA-N 333.457 4.239 0 40 EIAB CC(C)OCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 2415468 JGFDMEJSMNBFNE-UHFFFAOYSA-N 346.434 4.462 0 40 EIAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cnccn1 3293834 MMAGTBPUIVKWLA-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC1CCCCCC1 3447021 KMTFCSGZIOJQOG-UHFFFAOYSA-N 349.837 4.426 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)C[C@@H]2C)c1 3534327 LKRAROZKGYJCDM-SFHVURJKSA-N 344.458 4.499 0 40 EIAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Cl 3590804 DBPISGZCAIMTEQ-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1 3941071 ITZZJGGGGVJVMG-UHFFFAOYSA-N 329.440 4.249 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCCO2 4540165 LPVTXICDJCZESY-UHFFFAOYSA-N 338.190 4.407 0 40 EIAB CCCCCCC1=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)C1 4616659 ZHXKMYXZNYITID-AWEZNQCLSA-N 338.370 4.205 0 40 EIAB COc1cccc(CNc2ncc(-c3ccc(C)cc3)n2C)c1OC 4678545 CCHJZBDWQDWYPV-UHFFFAOYSA-N 337.423 4.025 0 40 EIAB CCCCc1nc2cc(N)c(C)nc2n1Cc1cccc(Cl)c1 4832094 IGSBEMDBQWKBHQ-UHFFFAOYSA-N 328.847 4.366 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(C)on1 4848635 KAKHRPRYQPCJPM-UHFFFAOYSA-N 341.436 4.133 0 40 EIAB O[C@@H]1c2c(ccc3ccccc23)CC[C@@H]1[C@H]1NCCc2ccccc21 4913990 NXHJGRJQTMOMRC-PUHATCMVSA-N 329.443 4.323 0 40 EIAB COc1cc(C)c(NC(=O)c2ccccc2C(F)(F)F)cc1OC 5616740 OVZPVRNOLQDUHG-UHFFFAOYSA-N 339.313 4.283 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N1c2ccccc2C[C@H]1C 5628764 ICUYXTJHZTXYRJ-OLZOCXBDSA-N 338.432 4.286 0 40 EIAB CC(C)(C)c1ccc(C(=O)COC(=O)/C=C/c2ccc(O)cc2)cc1 6872164 QYFWMMGTKQFNGY-AWNIVKPZSA-N 338.403 4.129 0 40 EIAB c1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)cc1 7441076 DKRBTSJRINMDNO-UHFFFAOYSA-N 335.388 4.439 0 40 EIAB Cc1ccc(-c2n[nH]c(SCCCOc3ccccc3)n2)cc1 7831892 UHKAIIHVTDTGQO-UHFFFAOYSA-N 325.437 4.341 0 40 EIAB c1csc(-c2cc(CSc3nnc(C4CC4)n3C3CC3)no2)c1 7858309 UYBBGICKEBNMKS-UHFFFAOYSA-N 344.465 4.499 0 40 EIAB Cc1cccc2nc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cn12 7990389 QHSLQQSMGFVOGS-LBPRGKRZSA-N 347.340 4.153 0 40 EIAB COc1cc(NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1 8486898 KQEUYBFLAWBPOK-UHFFFAOYSA-N 337.375 4.118 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(Br)cc1 9368048 XEEBNSOONMXFAX-LBPRGKRZSA-N 333.229 4.197 0 40 EIAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccco1 9659968 GXJRBLTZEBAJQX-UHFFFAOYSA-N 349.317 4.444 0 40 EIAB biogenic COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12658101 WGYHVQYXJNPQAA-CLIDLRMUSA-N 332.484 4.099 0 40 EIAB biogenic CC(C)(C)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 12692376 CTKLYKPFJASRBA-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)c2cc(Cl)ccc2OC)c1 12752907 UGWNMWDRIBSUEI-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]21 13785508 KLOBYBBPFARQIW-LTCOOKNTSA-N 341.838 4.296 0 40 EIAB COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 20160014 XWZIKKPOGFKHTM-QPJJXVBHSA-N 325.133 4.034 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 20451604 RRUQTUSWFGWEHM-SFHVURJKSA-N 329.827 4.082 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc3ncccc23)cc1 25445986 YTTYQAMBNCLWKU-UHFFFAOYSA-N 334.375 4.052 0 40 EIAB COc1ccccc1CCNC(=O)C1(c2cccc(Cl)c2)CCC1 25816153 DYJVARZHZWSLPL-UHFFFAOYSA-N 343.854 4.129 0 40 EIAB CC(=O)c1c(C)cc(C)c(CNc2ccc(Cl)c(C(N)=O)c2)c1C 26785795 RLQXVONEQKCKMI-UHFFFAOYSA-N 344.842 4.179 0 40 EIAB Cc1cc(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c(C)o1 27922368 VMVBHRHZIOUFMD-UHFFFAOYSA-N 341.386 4.149 0 40 EIAB CSc1ccc(CN[C@@H](c2ccccc2F)c2nccn2C)cc1 30645917 PUVZJQBILNLXQH-SFHVURJKSA-N 341.455 4.160 0 40 EIAB CCc1cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc2s1 30860476 HJCWCVVSXDIZQP-AWEZNQCLSA-N 333.844 4.053 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1 31245331 OGDFONVESXPFDJ-UHFFFAOYSA-N 329.371 4.165 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc2c1=O 31544719 ZLSLNYMMJKNCEM-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB C[C@@H]1Oc2c(C(=O)NCCCOC3CCCCC3)cccc2[C@H]1C 32820883 MJWUQSXUZXMORT-GJZGRUSLSA-N 331.456 4.040 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)CCc2ccsc2)c1 32906466 KXDMMGVWNYKLIT-UHFFFAOYSA-N 330.453 4.304 0 40 EIAB Cn1cc(CC(=O)Nc2nc(-c3ccco3)cs2)c2ccccc21 35588288 ZOFMPOQZJOOWMV-UHFFFAOYSA-N 337.404 4.076 0 40 EIAB Oc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1 35616174 LWEZGFNKNZPZHQ-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB Cc1cccc(Nc2c(-c3ccc(O)cc3)nc3cnccn23)c1C 35622699 KWWXNXRSGPYQDL-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB O=C(Cc1cccc2cccnc12)Nc1ccccc1N1CCCCC1 40025773 JULXIRCOXVIANI-UHFFFAOYSA-N 345.446 4.406 0 40 EIAB CC1(C)COC(CCCC(=O)c2cccc(C(F)(F)F)c2)OC1 43214495 PHRRFAKHFWNUIX-UHFFFAOYSA-N 330.346 4.458 0 40 EIAB CC(C)N1CCC(NC(=O)c2ccc(-c3ccccc3F)s2)CC1 46319992 AQRHWWLLODULOE-UHFFFAOYSA-N 346.471 4.157 0 40 EIAB Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1cccc2ncccc12 46814932 ODPRBYFTWRVFIT-JKSUJKDBSA-N 333.435 4.221 0 40 EIAB O=C1CC2(CCCCC2)C(=O)N1Cc1csc(C2CCCCC2)n1 47354189 LCVDUABRQLTPHO-UHFFFAOYSA-N 346.496 4.400 0 40 EIAB CC(C)n1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)n1 49342712 IGLZFIFDEGSATF-UHFFFAOYSA-N 345.406 4.260 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)C1=NO[C@H](c2ccccc2)C1 55159001 KQUZCFPRGRXXRZ-KRWDZBQOSA-N 349.415 4.266 0 40 EIAB CCn1c(SCc2nccn2CC(F)(F)F)nc2ccccc21 57741963 YDRNFRVPPPFWFF-UHFFFAOYSA-N 340.374 4.107 0 40 EIAB O=C(Nc1ccccc1)c1cccc(CN2CCOc3ccccc32)c1 58357867 ZVMIKHIFJDHLBZ-UHFFFAOYSA-N 344.414 4.338 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OCC 60481475 PUILOFLPBZPUJJ-WUXMJOGZSA-N 341.407 4.232 0 40 EIAB Cn1c(SCc2ncc(-c3cccs3)o2)nnc1-c1ccco1 67428228 ABCZBKOSQARDFD-UHFFFAOYSA-N 344.421 4.084 0 40 EIAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)F)cc1 68741212 RJWYQBSZGNHSPC-UHFFFAOYSA-N 347.770 4.087 0 40 EIAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 75605161 HYHWPPMQAQRAFK-LBPRGKRZSA-N 336.867 4.005 0 40 EIAB COc1ccc(OCc2ccc(C(=O)OCc3ccccc3)o2)cc1 76556539 VWRIXPVIYNMZGH-UHFFFAOYSA-N 338.359 4.224 0 40 EIAB Cc1c(Cl)c(CN2CCO[C@H]3CCCC[C@@H]32)nc2ccccc12 84068108 DJQQEJJRDGZHND-ROUUACIJSA-N 330.859 4.340 0 40 EIAB CC(C)Cn1ccc2cc(NC(=O)[C@H]3C[C@H]3c3cccnc3)ccc21 89856724 ARVZIOZCCQCIIM-OALUTQOASA-N 333.435 4.435 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C 89914106 LZVFXEKVYBHOGS-GXTWGEPZSA-N 326.362 4.387 0 40 EIAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=C/[N+](=O)[O-])c2)n1 91695238 RXSIIFLATMKGFV-VOTSOKGWSA-N 337.301 4.081 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 95080624 JGSCIYPSHQRISX-OAHLLOKOSA-N 327.428 4.191 0 40 EIAB in-vitro C[C@H]1C[C@H](NC[C@@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 95968958 FPMPWQIDAVKXIY-MKBNYLNASA-N 344.505 4.389 0 40 EIAB F[C@@H](C(F)(F)F)C(F)(F)COc1ccc(Br)cc1 96508968 BBHYRUNULSPLHC-MRVPVSSYSA-N 337.057 4.364 0 40 EIAB O=C1COc2ccc(-c3csc(-c4ccccc4Cl)n3)cc2N1 96584313 AKCRBXQQZGCGAZ-UHFFFAOYSA-N 342.807 4.461 0 40 EIAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2c(Cl)cccc21 98178553 PNHVFNXARSPXPK-UHFFFAOYSA-N 341.838 4.340 0 40 EIAB CCc1cc(-c2oncc2-c2ccc(OC)cc2)c(O)cc1OC 100096773 BNBHIGLOMVMJDB-UHFFFAOYSA-N 325.364 4.294 0 40 EIAB C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102133003 GLEPXNKRPNZLGY-JUFZMCDQSA-N 340.439 4.399 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(CN2CCCCC2)cc1 107083974 QQBUTKLJPKYNEI-ACRUOGEOSA-N 340.511 4.115 0 40 EIAB O=C(CSC1CCCC1)N1CCS[C@H](c2ccccc2)CC1 206986590 NOZJZUCJXUNEIB-KRWDZBQOSA-N 335.538 4.369 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cnc(-c2cccc(F)c2)nc1 222621492 LRLHOICHQFADCP-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB CC[C@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2 223129148 RTUQWSSLIVULPV-INIZCTEOSA-N 335.494 4.057 0 40 EIAB CCc1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223451903 JGSPTVZMEOISSI-QGZVFWFLSA-N 325.452 4.430 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cn1 225409341 DOWAHRIXMBLATO-CYBMUJFWSA-N 343.496 4.435 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 225639455 YMFDGSHRIBGYRT-INIZCTEOSA-N 328.481 4.366 0 40 EIAB NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 226334357 MFXQRXNOUIPMHQ-QHHAFSJGSA-N 340.181 4.210 0 40 EIAB O=C(c1ccccc1Cl)N1CCC(c2csc3nccn23)CC1 257227819 FRBITRLGKXDFLT-UHFFFAOYSA-N 345.855 4.069 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(-c3nccs3)n2)C1 257251285 JQCPVMTVMBIHJS-CYBMUJFWSA-N 345.468 4.320 0 40 EIAB CC(C)C[C@H](c1nc([C@H](C)c2cccs2)no1)N1CCCCC1=O 273780394 DOGABJDNPNXSPF-ZIAGYGMSSA-N 347.484 4.383 0 40 EIAB COc1cc(SC)ccc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 278415025 ZROGDUDMWIKVNP-XJKSGUPXSA-N 337.485 4.197 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1Cl 408588712 YAEWMFBPKCXTIQ-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB Cc1cc2nccc(Nc3ccc(OCc4cccc(F)c4)cc3)n2n1 643551163 ZDJXRMLKZSBRJX-UHFFFAOYSA-N 348.381 4.499 0 40 EIAB COc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776008712 NGHKHWLHPAGUFB-OALUTQOASA-N 325.452 4.118 0 40 EIAB CSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccc(C)cc1-2 35720 COPUKMWLSLPLQC-AWEZNQCLSA-N 342.449 4.134 0 40 EIAB Clc1ccc(-c2nc3ccccn3c2NC[C@@H]2CCCO2)cc1 417420 VTIMRLYOPNRLHA-HNNXBMFYSA-N 327.815 4.246 0 40 EIAB COc1ccc(-n2ncc3c(Nc4ccc(C)c(C)c4)ncnc32)cc1 426386 IGALTOZQDNQINK-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CCC(CC)c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 804703 VOTVNSPBLMNZOJ-UHFFFAOYSA-N 339.848 4.113 0 40 EIAB OCCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 819192 RPCZLRPLZSXEGO-UHFFFAOYSA-N 347.458 4.260 0 40 EIAB Fc1ccc(CSc2ncnc3c2ncn3-c2ccccc2)cc1 1666474 ZFWKNFDJDPXHBD-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB CCCCc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2204865 IZVXRRFISSYCQH-LJQANCHMSA-N 341.407 4.328 0 40 EIAB CC(C)CC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 2306239 MRYJNXLXQXZWQO-CHWSQXEVSA-N 325.836 4.442 0 40 EIAB CCOc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F 2793428 APMYXUXXNRTJJH-RYUDHWBXSA-N 327.371 4.090 0 40 EIAB O=C(CCSc1ccccc1)OCC(=O)c1ccc(Cl)cc1 3263604 YXCYCJVLOVXUEV-UHFFFAOYSA-N 334.824 4.248 0 40 EIAB CCC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 3350628 VZJVPXYRHQATNT-UHFFFAOYSA-N 327.409 4.364 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Cl 3507300 ZAEQACLPPOEYGG-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1cccc(Cl)c1 4178119 VFLQXXOFHCXXCN-MVJTYMMSSA-N 339.822 4.132 0 40 EIAB O=C(CCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 4224122 BNWJKEZHSIMKBM-UHFFFAOYSA-N 336.416 4.274 0 40 EIAB Cc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)cc1 4323014 IPSNIMJBBLGLRJ-UHFFFAOYSA-N 336.443 4.160 0 40 EIAB O=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)S1 4691600 PFGXHKQXESWGLH-XFFZJAGNSA-N 337.809 4.408 0 40 EIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)Oc3ccccc3)cc21 5136422 WVOBACFZDYKQAA-UHFFFAOYSA-N 338.407 4.233 0 40 EIAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1 5461576 MNWFEKNXEBDODA-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4cccnc4)nc3c12 6759053 QAJFMEVDFMQLTQ-UHFFFAOYSA-N 346.438 4.263 0 40 EIAB COc1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1OC 6786684 LIDALKXBYFOTEP-UHFFFAOYSA-N 343.467 4.040 0 40 EIAB O=C(CN1CCCCCCC1)Nc1ccc(SC(F)F)cc1 6939805 CGHBUDDJYLSDQC-UHFFFAOYSA-N 328.428 4.206 0 40 EIAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)c1c[nH]c2ccccc12 7471732 PMXVFLRYSBBEGR-GFCCVEGCSA-N 348.431 4.317 0 40 EIAB CCC[C@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 7814252 FEJQOYHZWIZAMG-AWEZNQCLSA-N 325.408 4.197 0 40 EIAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccnc1 7990906 GRWHBMUSJYDXMI-MRXNPFEDSA-N 332.403 4.152 0 40 EIAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 9386110 CPYDXWVDRPAIMN-IBGZPJMESA-N 342.826 4.087 0 40 EIAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H]1CCCO1 9691445 MFVGAYLUOFBFGY-MRXNPFEDSA-N 338.432 4.005 0 40 EIAB COc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1 12111407 FRFJKWIQTVCCFS-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCCCC1 12420565 ZNOZNVZLQNQFNM-UHFFFAOYSA-N 339.501 4.128 0 40 EIAB CCOc1ccc(CNC(=O)CSCc2cc(C)cc(C)c2)cc1 13675923 PBGQKMNTGXCEPW-UHFFFAOYSA-N 343.492 4.252 0 40 EIAB COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@H]3C)cs2)cc1 15662393 XKNCWDXFNUNFLB-DOMZBBRYSA-N 330.453 4.127 0 40 EIAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1OC 16637581 IWUNKBFEUUKXPC-UHFFFAOYSA-N 340.423 4.385 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)cc1 18247115 BPTMEHZRBCEALN-KDURUIRLSA-N 335.403 4.467 0 40 EIAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1O 19877354 WGVOXRJJKNTMEP-UHFFFAOYSA-N 336.229 4.392 0 40 EIAB Cc1ccsc1-c1nn2c(Cc3cc(F)cc(F)c3)nnc2s1 20717937 VVVKSAGXCUWZRN-UHFFFAOYSA-N 348.403 4.092 0 40 EIAB CC(C)c1c(C(=O)Nc2ccccc2O)cnn1-c1ccc(F)cc1 24662036 ZYKXHEYGKBNHJH-UHFFFAOYSA-N 339.370 4.093 0 40 EIAB COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1OC(C)C 32781406 WZYXYIURBSVBRI-ZDUSSCGKSA-N 345.464 4.303 0 40 EIAB CCN(C(=O)/C=C/c1ccc(F)cc1)[C@@H](C)c1cccc(OC)c1 32800905 MNUDFXZGXPUDBB-VOMSXAGXSA-N 327.399 4.457 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)N3CCOC34CCCCC4)oc2c1 35671083 WYMWRNFHQHNBPP-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB COCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 36394180 RQGLPGIMJQRJHP-HNNXBMFYSA-N 326.440 4.396 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 36638886 FYVAYVGDMWACHI-UHFFFAOYSA-N 349.496 4.343 0 40 EIAB COC(=O)c1ccc(C2CCCCC2)c(I)c1 39951814 XDSOINVKKGOQNZ-UHFFFAOYSA-N 344.192 4.126 0 40 EIAB CC(C)C[C@@H](CNC(=O)c1occc1-c1ccccc1)N1CCCC1 40092488 UIKQYTVULNMBIU-SFHVURJKSA-N 340.467 4.187 0 40 EIAB Cc1nccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1 40146525 CEJYGAUKRZNPND-UHFFFAOYSA-N 339.782 4.483 0 40 EIAB O=S(=O)(Cc1nc2ccccc2s1)c1ccc2ccccc2c1 47619536 GPOXOLYMIDKEFE-UHFFFAOYSA-N 339.441 4.423 0 40 EIAB CCOc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C)n[nH]2)cc1 51315533 UCMPFLKFECQOFL-CQSZACIVSA-N 347.418 4.067 0 40 EIAB O=Cc1c(OCc2ccn(-c3ccccc3)n2)ccc2ccccc12 60299089 GQSKTNJBLQNOKQ-UHFFFAOYSA-N 328.371 4.417 0 40 EIAB Cc1ccc(NCc2nc(C(C)(C)C)no2)c(OCC(F)(F)F)c1 63470963 DPQNHRCYHQQUBS-UHFFFAOYSA-N 343.349 4.229 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1(C)C 65493378 ICYFQUSHKHYEBU-PBHICJAKSA-N 327.403 4.188 0 40 EIAB CN(C)Cc1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 66970277 OTURNUWSXIWBFL-UHFFFAOYSA-N 337.492 4.162 0 40 EIAB Cc1cc(C)n(Cc2cccc(NC(=O)c3c(F)cccc3F)c2)n1 69697266 VIQHIJDAWXPEEA-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB FC(F)(F)c1cccc(C2(c3nnc(C4CC4)o3)CCOCC2)c1 71889810 PYNJLIOHRSQWIU-UHFFFAOYSA-N 338.329 4.062 0 40 EIAB CCCc1noc(CCC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)n1 72291602 NFGZLHNAAOPFLP-OAHLLOKOSA-N 345.443 4.000 0 40 EIAB Cc1noc2ncc(NC(=O)c3sccc3SC(F)F)cc12 75134306 LMROYYNJZASWAC-UHFFFAOYSA-N 341.364 4.160 0 40 EIAB Cc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 75172190 VKVAMOHAFFBYRZ-UHFFFAOYSA-N 338.342 4.360 0 40 EIAB O=C(Nc1cccc2cn[nH]c12)c1cc(-c2ccc(Cl)s2)on1 75906192 BJWKWMGTFRPJAT-UHFFFAOYSA-N 344.783 4.185 0 40 EIAB C[C@@H]1C(=O)Nc2ccccc2N1Cc1c(Cl)ccc2cccnc12 78970667 BLWWKMVATGFHLI-GFCCVEGCSA-N 337.810 4.235 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)N2C[C@H]3CCC[C@H]3C2)on1 84124426 MEVXLCZQMHSCCB-GASCZTMLSA-N 342.464 4.147 0 40 EIAB COc1ccccc1COC1CCN(C(=O)CC2=CCCCC2)CC1 91819511 JXSSFZSEKVIYIA-UHFFFAOYSA-N 343.467 4.093 0 40 EIAB CN(Cc1ccccc1NCc1ccco1)C(=O)c1cccs1 95429253 DMYGMPVWTXEWJF-UHFFFAOYSA-N 326.421 4.225 0 40 EIAB CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(OC)ccc1Br 95459133 PSDYGMZEQDUBIR-GHMZBOCLSA-N 341.249 4.253 0 40 EIAB COc1ccc(C(C)(C)c2cc(-c3cnc(N)s3)ccn2)cc1 95629744 KLCFWBWZCANCJP-UHFFFAOYSA-N 325.437 4.122 0 40 EIAB Cc1cc(C(=O)NCc2nn(C3CCCC3)c3c2CCCC3)c(C)o1 96099210 VYPDFOKKBXRWAJ-UHFFFAOYSA-N 341.455 4.017 0 40 EIAB C[C@H](NCCc1ccc(O)cc1)c1cc(Br)ccc1F 97016621 NKQUROFCSGKVJK-NSHDSACASA-N 338.220 4.187 0 40 EIAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223657709 GXHRVJIBDMRMJO-UHFFFAOYSA-N 345.464 4.208 0 40 EIAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1 224091719 IDGIDBPFUMGRJJ-UHFFFAOYSA-N 327.424 4.050 0 40 EIAB COc1ccccc1O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225085912 RKZMXZUNJLBVFZ-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc23)c(C)c1 225354042 NXYQFRDOQQYFJQ-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222201 FDNWTGCGATUOIG-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB CC[C@@H](CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1 69773449 JZAMKFLFXWMKPW-KRWDZBQOSA-N 337.467 4.068 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)s1 32808672 WCTKBEMETYCKKQ-UHFFFAOYSA-N 335.450 4.117 0 40 EIAB Cc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)nc1 784499 JGBOXEAUHOTYFQ-UHFFFAOYSA-N 335.388 4.364 0 40 EIAB CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H](C)c1ccncc1 76019112 DIDWNSUOWSGQMT-MRXNPFEDSA-N 349.434 4.279 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(CC)cc1)C2 1369857 PBPZLSSNOGQANV-OALUTQOASA-N 345.556 4.331 0 40 EIAB CCCCN[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 1664848 GQEAVQHYRFJHHD-LJQANCHMSA-N 327.424 4.018 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1 2053581 SPJBCAHCAJGVQI-UHFFFAOYSA-N 341.432 4.421 0 40 EIAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@H](O)c1ccc(F)cc1 78673089 RNYSWRHGNRINSN-OQPBUACISA-N 348.727 4.427 0 40 EIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1CCC1 32900338 PJEYJIKQLPESRY-HNNXBMFYSA-N 336.435 4.258 0 40 EIAB CCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)cc2oc1=O 488591 NLOYUWUAIVLYRX-CQSZACIVSA-N 336.387 4.314 0 40 EIAB biogenic COc1ccccc1OCc1ccc(C(=O)Oc2ccccc2)cc1 2752652 JUWHMAHIPNWECV-UHFFFAOYSA-N 334.371 4.493 0 40 EIAB Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl 4852731 DDTBWYSVKSKVJI-CRAIPNDOSA-N 328.799 4.418 0 40 EIAB Cc1cccc2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc12 8864660 XVLGBSFOMTVSKR-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB CC[C@@H](C)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 23872463 MGRNJZOLPDNSMR-FOIQADDNSA-N 341.451 4.150 0 40 EIAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3F)sc2c1 24550395 SZTNOOKMXZIZMW-LLVKDONJSA-N 330.384 4.150 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(Cl)s1 25520678 FBEIGDLBXHEDML-UHFFFAOYSA-N 346.283 4.146 0 40 EIAB O=C(Nc1ccccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 102900580 QWPMBKAFAOWOQN-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1cc(NC(=O)c2ccc(CN3CCCCC3)o2)c2ccccc2n1 27980004 UDDNJABHLVFREJ-UHFFFAOYSA-N 349.434 4.374 0 40 EIAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccccc1O 58390762 MBLSITCLGNXBSJ-UHFFFAOYSA-N 325.389 4.382 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)Nc1c(F)cccc1F 3382488 XJMPBTRLGZQCRQ-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB Fc1ccc(NC(=S)Nc2cccc(Br)c2)cc1 3372530 FQAGGUKWFMCHJO-UHFFFAOYSA-N 325.206 4.397 0 40 EIAB Cc1ccc(SCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 48325598 JWACUPHKTURWTL-UHFFFAOYSA-N 341.476 4.199 0 40 EIAB CN(C)[C@H](CNc1ncnc2cc(Cl)ccc12)c1cccs1 12867779 UAXGFSSWJBRGMH-CQSZACIVSA-N 332.860 4.060 0 40 EIAB Cc1csc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1 3413671 CMYCOXLVJXTDHG-UHFFFAOYSA-N 348.280 4.193 0 40 EIAB COc1ccc(Br)cc1-c1nc2cc(C)ccc2n1C 48526530 IBXISOCBLSJGKV-UHFFFAOYSA-N 331.213 4.320 0 40 EIAB Cc1sc2ncnc(Sc3nc(-c4cccs4)n[nH]3)c2c1C 8771348 BLHVGFWTHSTKMT-UHFFFAOYSA-N 345.478 4.306 0 40 EIAB O=c1[nH]c(-c2ccc(OC(F)F)cc2)nc2sc3c(c12)CCCC3 8752876 DNOWRQKOFFVINN-UHFFFAOYSA-N 348.374 4.132 0 40 EIAB COc1ccc(-c2cc([C@](C)(O)CCCC(C)(C)OC)on2)cc1 4344252 NQXHWNVRVJRDKU-LJQANCHMSA-N 333.428 4.153 0 40 EIAB Cc1cccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c1 5269611 IEZJOJCGRFGQGE-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB CN(C(=O)Nc1ccccc1)[C@H](c1ccc(F)cc1)c1cccnc1 65523401 GACLUALTNWNJQF-LJQANCHMSA-N 335.382 4.474 0 40 EIAB O=C(Cc1noc2ccccc12)NCCC12CC3CC(CC(C3)C1)C2 19203211 SULAMMMOSZBIIG-UHFFFAOYSA-N 338.451 4.093 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 5577699 RDDOTQJVDAQMHZ-UHFFFAOYSA-N 327.424 4.183 0 40 EIAB CC(=O)c1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 7069111 XRHXXEMWUHNTCW-UHFFFAOYSA-N 328.418 4.327 0 40 EIAB CC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 7052395 KGWWIIRGNTUMQP-UHFFFAOYSA-N 345.464 4.232 0 40 EIAB COc1ccc(CC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 7614344 NUHKDCUXKPDQNU-UHFFFAOYSA-N 326.421 4.103 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1C1CC1 7886013 UXUSIRZISBZEOA-INIZCTEOSA-N 330.334 4.017 0 40 EIAB O=C(CCc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 8314988 VTXTYDFVZUOECW-UHFFFAOYSA-N 349.459 4.069 0 40 EIAB biogenic Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 19923734 RYQNDZFWSJLFEV-UHFFFAOYSA-N 329.831 4.003 0 40 EIAB CN(C)C[C@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 71911752 QJQUFSAEZXFHAJ-OAHLLOKOSA-N 347.528 4.137 0 40 EIAB Cc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)n1 27983571 OIXVJWCDEFNTFG-UHFFFAOYSA-N 344.317 4.093 0 40 EIAB CCN(CCC1CCN(C(=O)Nc2cccc(C)c2)CC1)CC1CC1 95457400 GRMPQVQFHQAXEQ-UHFFFAOYSA-N 343.515 4.361 0 40 EIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(F)cc1 20138183 YNBSAVHTGBNJHH-UHFFFAOYSA-N 325.339 4.139 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccccc2Cl)c1 26392116 HAHLXUPYLRKAPD-CYBMUJFWSA-N 347.842 4.167 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)c1 408702052 AJKLYPPOWPNILI-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB COc1ccc(NC(=O)NC(=S)c2cccc3ccccc23)cc1 408732044 OMORMVDYFCYFFQ-UHFFFAOYSA-N 336.416 4.346 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(C)ccc2OC)c1 32751516 KLAZYOKTYBJMDQ-IBGZPJMESA-N 341.451 4.358 0 40 EIAB O=C(CCCc1cccs1)NCCCc1nc2ccccc2s1 32843514 VLLVIPMSIQCINU-UHFFFAOYSA-N 344.505 4.430 0 40 EIAB CCOc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72211869 PUKBGTPXWIKFOU-SFHVURJKSA-N 340.423 4.344 0 40 EIAB O=C(CSC1CCCC1)NCc1ccnc(-c2cccs2)c1 238932130 VEEDLGPGCQVVPS-UHFFFAOYSA-N 332.494 4.102 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222613205 VOMGSAQFZHQXRS-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(F)cccc1F 223249420 PHVFCKXXBXMLQE-LBPRGKRZSA-N 331.362 4.250 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 225119673 RXKXCEZYWCIUGT-MAUKXSAKSA-N 341.451 4.292 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)CCSCc2ccccc2)c1 224017080 DLTJLMJLCZOFOC-UHFFFAOYSA-N 343.492 4.122 0 40 EIAB C[C@H](NC(=O)Cn1ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 199406170 QLRGNGYHBLXBQX-BZSISCHUSA-N 336.479 4.362 0 40 EIAB COc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1Cl 225122813 WCEXFVLAGNAKNR-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)cc1 223543733 JAWSDTYSFRGJPE-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 195529917 LCSQDVGQLONUGF-NJDAHSKKSA-N 328.415 4.091 0 40 EIAB c1ccc([C@@H]2CCC[C@H](Nc3nccc(-c4cnccn4)n3)C2)cc1 581291424 KGPBKBHLQDLEDG-SJORKVTESA-N 331.423 4.072 0 40 EIAB Cc1ccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 96277046 IBELAXPOQWSOPZ-KRWDZBQOSA-N 335.407 4.172 0 40 EIAB Cc1ccc([C@H]2C[C@@H](C)CCN2CCOc2ccccc2C(=O)O)o1 582730976 XOZUZVIKPQIDBZ-WMLDXEAASA-N 343.423 4.138 0 40 EIAB Cc1ccc([C@@H]2C[C@H](C)CCN2CCOc2ccccc2C(=O)O)o1 582730974 XOZUZVIKPQIDBZ-PBHICJAKSA-N 343.423 4.138 0 40 EIAB O=C(NCc1cncc(C2CC2)c1)C(c1ccccc1)c1ccccc1 675008001 LKMCPTZTMBMGHO-UHFFFAOYSA-N 342.442 4.407 0 40 EIAB CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1Cl 57315419 MZAFPJZHZDEPCZ-ZDUSSCGKSA-N 332.831 4.028 0 40 EIAB Fc1ccc2c(C3CCN(c4cc(C5CC5)ncn4)CC3)noc2c1 641601091 APDIYXLGQRMBCL-UHFFFAOYSA-N 338.386 4.018 0 40 EIAB COc1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1 5245450 SLFNMXOLXMZUBY-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB Cc1ccc(N2C(=O)/C(=C\c3cccs3)N(C)C2=S)cc1Cl 5843704 CWKPQXFPNLQYJL-NTEUORMPSA-N 348.880 4.314 0 40 EIAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2ccccc2s1 11556205 INZZEYQVUIYQNG-UHFFFAOYSA-N 347.443 4.060 0 40 EIAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)c1 13670472 XEPSLTYKNVGJDE-AWEZNQCLSA-N 337.872 4.137 0 40 EIAB CC(C)[C@@H](NC(=O)/C=C/c1cccs1)c1ccc2c(c1)OCCO2 8124791 HVZPQGWXXUSSKI-ZLQZBKBYSA-N 343.448 4.046 0 40 EIAB Cc1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1 19936967 VZIVTZQMESEKGP-UHFFFAOYSA-N 330.602 4.306 0 40 EIAB O=C(CSc1ccc(Cl)cc1)n1nnc2cccc(Cl)c21 226359697 AVTXNVSDJBRKBL-UHFFFAOYSA-N 338.219 4.171 0 40 EIAB Cc1cccc(OCCNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 21769535 XCBACLHOHQKMSK-UHFFFAOYSA-N 338.234 4.040 0 40 EIAB CCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1 429604 OTURCHZGAMOODV-UHFFFAOYSA-N 341.480 4.008 0 40 EIAB CCOc1cccc2sc(NC(=O)Cc3ccc(C)cc3C)nc12 5267962 ZSBPZDNGTJTEGE-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB CC(C)c1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 7347899 LHCMVZAQNFHFCG-SECBINFHSA-N 341.889 4.434 0 40 EIAB COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c(OC)c1 1775970463 CBAFUQGVLCFACR-HOTGVXAUSA-N 342.439 4.343 0 40 EIAB CC(C)OCc1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1 40122276 JZUOXZMDJJYRRL-KRWDZBQOSA-N 325.452 4.422 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2ccc(F)cc2F)C1 40267294 GPYZFJCABZGWGO-AWEZNQCLSA-N 343.308 4.413 0 40 EIAB Cc1ccc(-c2nc(CNc3ccc(Br)cc3)no2)cc1 32759356 RYYLKTNXCYTVSJ-UHFFFAOYSA-N 344.212 4.420 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(Br)c(C)c2)c1 38556 OGGCZUHOGWMFRG-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(C)cc2)S3)cc1 93532 XALJGBDCCKNBDJ-MRXNPFEDSA-N 335.432 4.439 0 40 EIAB COc1cccc(C(=O)Nc2nc3c(Cl)cccc3s2)c1OC 364158 JFHSYXCXJLYYRW-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB CCc1ccccc1Nc1ncnc2c1cnn2-c1cccc(C)c1 425629 CCTXUBPMNWBKKI-UHFFFAOYSA-N 329.407 4.430 0 40 EIAB CCCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 1347491 NAXUSGOEUGSLAZ-LJQANCHMSA-N 347.418 4.278 0 40 EIAB CC(C)[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 1388492 MVDDNTWUXRKXKA-INIZCTEOSA-N 327.815 4.343 0 40 EIAB CCOC(=O)Cc1csc(Nc2ccc(Cl)c(Cl)c2)n1 1614030 AYYAIYXXIZZDQT-UHFFFAOYSA-N 331.224 4.299 0 40 EIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1C)C3 2113551 ZPNJDYICWNVUQD-UHFFFAOYSA-N 335.403 4.410 0 40 EIAB biogenic CCCCN1C(=O)[C@@](Cl)(c2ccccc2)C(=O)c2ccccc21 2144991 NZYAECGZQIFRAS-LJQANCHMSA-N 327.811 4.150 0 40 EIAB CCc1cc2c(SCC(=O)Nc3cccc(F)c3)ncnc2s1 2640535 IEUWSGFPKFRHRW-UHFFFAOYSA-N 347.440 4.124 0 40 EIAB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c(C)o1 3241019 VCQDPRJFJXHYGI-UHFFFAOYSA-N 327.163 4.243 0 40 EIAB O=C(COc1cccc(Cl)c1Cl)NCCC1=CCCCC1 3365576 IDJCQQMMBLXCSE-UHFFFAOYSA-N 328.239 4.379 0 40 EIAB CCOc1ccc(C(=O)[C@H](Cc2ccccc2)N2CCCCC2)cc1 3384316 AEGFSIMEYMWKAI-NRFANRHFSA-N 337.463 4.365 0 40 EIAB O=C(O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12 3646854 JJPOVMZLCXNDCU-UHFFFAOYSA-N 336.372 4.220 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Cl)cc2)c1 4120205 OITLLJXICNXWFA-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB Cc1ccc(C)c(CSc2ccc3nnc(-c4ccccn4)n3n2)c1 4327248 SFNJGRAGQCSTLI-UHFFFAOYSA-N 347.447 4.095 0 40 EIAB CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)c(OC)c1 4656333 ZUAMLWOFUPSKHZ-OAHLLOKOSA-N 333.815 4.238 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)s1 4947935 PBYPVETUPWMGKO-NWANDNLSSA-N 338.469 4.217 0 40 EIAB O=[S@@](CCO)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5217323 CQZBPXCOWUGZST-MRXNPFEDSA-N 342.458 4.054 0 40 EIAB O=C(Nc1ccsc1C(=O)NC1CCCCC1)c1ccc(F)cc1 5894446 JDIGPHCBSICQLW-UHFFFAOYSA-N 346.427 4.202 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCCC2)c1 5987196 RMPUNTKXKDXXEU-OAHLLOKOSA-N 345.439 4.120 0 40 EIAB CCn1c(S[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6172471 ZWROHOHDLNHUKE-LBPRGKRZSA-N 328.412 4.409 0 40 EIAB O=C(Cn1ccc2ccccc21)Nc1nc(-c2ccccc2)cs1 6896801 XNKLSUGIVXRMTI-UHFFFAOYSA-N 333.416 4.404 0 40 EIAB O=C(Nc1ccccc1N1CCCC1)c1cc2c(s1)CCCC2 7107132 TYUNOYXEKABPRI-UHFFFAOYSA-N 326.465 4.479 0 40 EIAB Fc1ccc(-c2cc3ncnc(NC[C@H]4CCCO4)c3s2)cc1 8039379 PGXZCIJZSWVXAX-CYBMUJFWSA-N 329.400 4.088 0 40 EIAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc(C5CC5)o4)c23)C1 8198719 TUFMGYURIJHJHS-QMMMGPOBSA-N 344.465 4.228 0 40 EIAB COc1cc(OC)cc(C(=O)Sc2nc3ccccc3s2)c1 8206590 OWSVESQFNHUUOS-UHFFFAOYSA-N 331.418 4.246 0 40 EIAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccccc1Cl 8553783 CUPABRGBBZZNLR-UHFFFAOYSA-N 343.839 4.461 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1cc(Cl)c2c(c1)OCO2 8754818 KWBMLPCCLWBVJL-ZDUSSCGKSA-N 347.823 4.036 0 40 EIAB O=C(c1c(F)cccc1F)N(C(=O)N1CCCCC1)c1ccccc1 10254461 JHEAWKJBIOIJBF-UHFFFAOYSA-N 344.361 4.218 0 40 EIAB CSc1nc(C)cc(Nc2ccc(N3CCC(C)CC3)cc2)n1 11907851 VGNOVSLGGDYOSD-UHFFFAOYSA-N 328.485 4.487 0 40 EIAB COc1cccc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c1 12188006 UNSMZJMLVZVCDV-IBGZPJMESA-N 346.430 4.263 0 40 EIAB CC(C)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 12781161 ZCUWFBKAIQGOHJ-HNNXBMFYSA-N 331.481 4.064 0 40 EIAB Cc1ccccc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 12877770 FFELXCDNOHSKHP-LJQANCHMSA-N 329.827 4.295 0 40 EIAB COC(=O)c1ccccc1NC(=O)N(C)Cc1ccc2ccccc2c1 12945222 JFIBMEUCXIBUTI-UHFFFAOYSA-N 348.402 4.290 0 40 EIAB CC(C)[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)cc1 13228404 YGXFVCBCJIVVGV-MRXNPFEDSA-N 327.815 4.017 0 40 EIAB O=C(OCc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 14621265 WTLOHEUKJDTCCW-UHFFFAOYSA-N 342.398 4.438 0 40 EIAB CCCCSc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2 15840475 JLWCIIDGVOKEAG-UHFFFAOYSA-N 334.872 4.267 0 40 EIAB Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 18207537 GAZMCGHPHRQBPT-CBQGHPETSA-N 349.455 4.482 0 40 EIAB Cc1cccc(CN2CCC[C@@H]2c2nnc(-c3scnc3C)o2)c1 19234985 XWXIIFLTASXMGH-OAHLLOKOSA-N 340.452 4.147 0 40 EIAB CCC(=O)N1CCc2cc(-c3csc(-c4cccnc4)n3)ccc21 19499177 VMNLWGJEQKCTRG-UHFFFAOYSA-N 335.432 4.171 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20141575 OOMNDVKLNGROKZ-UHFFFAOYSA-N 333.771 4.078 0 40 EIAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(F)cc1 21661443 BTNZBSMAIREODB-UHFFFAOYSA-N 333.370 4.113 0 40 EIAB O=C(Nc1ccncc1)c1csc(COc2ccc(Cl)cc2)n1 24834689 JVYSTPFYZABSFI-UHFFFAOYSA-N 345.811 4.023 0 40 EIAB Cc1cc(NC(=O)CCSCc2ccc(C(F)(F)F)cc2)no1 24835169 DBDCGCATVVCWTE-UHFFFAOYSA-N 344.358 4.264 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 27989133 OKMVPIGKDJFEQE-LJQANCHMSA-N 342.870 4.215 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 28260767 JKHGKSUQSAXCTD-UHFFFAOYSA-N 349.427 4.256 0 40 EIAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Oc2ccccc2)cc1 29378883 MHLDXQVBYOFMSF-MRXNPFEDSA-N 332.403 4.497 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)N(C)C3CCCCC3)cc2)C1 30863012 ULRHPNGYGPCTBF-QGZVFWFLSA-N 328.500 4.323 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)[C@H]3Cc4ccccc4S3)c2)n1 31121434 IZHHKSZPXDBVPF-LJQANCHMSA-N 347.443 4.108 0 40 EIAB CCCN(CCC)C(=O)c1cc(-c2ccccc2C(F)(F)F)n[nH]1 32033071 NWJGOCZYVJLJOK-UHFFFAOYSA-N 339.361 4.358 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)c(C)c1 36620376 NUBINKUAVXQAQI-IBGZPJMESA-N 343.492 4.446 0 40 EIAB CON(C)C(=O)c1oc2ccccc2c1CSc1nc(C)cs1 36739311 BUULPKVSAMQGKM-UHFFFAOYSA-N 348.449 4.123 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 39762187 NSSQRUCPJLDOMQ-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1nc2ccccc2[nH]1 40157419 LXSLHFZUWRYVKL-LBPRGKRZSA-N 349.365 4.453 0 40 EIAB Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1 49565365 HCTQNJDFUNKCNR-UHFFFAOYSA-N 345.855 4.307 0 40 EIAB OC1=NC(=S)S/C1=C/c1ccc(OCc2cscn2)cc1 56686851 OEDFCEXTMHFBQN-LFYBBSHMSA-N 334.447 4.051 0 40 EIAB CCOc1ccccc1NC(=O)CN[C@@H](C)c1cccc(Cl)c1 57315490 OZIJIPUOGLDGGU-ZDUSSCGKSA-N 332.831 4.028 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)c2sc3ccccc3c2C)cc1 58304849 OMNWXGJFGCVNDP-UHFFFAOYSA-N 338.432 4.445 0 40 EIAB O=C(CCc1ccccn1)Nc1nc(-c2c[nH]c3ccccc23)cs1 62864399 CITIDPLDJAHCSB-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB Cc1cccc(OC(F)F)c1NC(=O)N1CCc2ccccc2C1 65593131 NOQZQTVNDLTJMC-UHFFFAOYSA-N 332.350 4.187 0 40 EIAB C[C@@H](NC(=O)c1snc(-c2ccc(F)cc2)c1N)c1ccccc1 67334813 GBLJSVGXBNJKCF-LLVKDONJSA-N 341.411 4.022 0 40 EIAB O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 70010752 QBFZDGJNRHJGHZ-UXHICEINSA-N 337.438 4.411 0 40 EIAB Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)s1 71799235 YCSFBIWRXQKROR-GOSISDBHSA-N 337.448 4.040 0 40 EIAB C[C@]1(C(=O)Nc2cc(-c3ccccc3)ns2)CC1(Cl)Cl 78792105 SVQBNLQYOYMTNQ-CYBMUJFWSA-N 327.236 4.333 0 40 EIAB Cc1c(NC(=O)NCc2cc(C(C)C)no2)cccc1OC(F)F 79350483 VUPREDHDXLEGNQ-UHFFFAOYSA-N 339.342 4.030 0 40 EIAB O=C(NCc1ccccc1OC1CCCC1)c1cccc2cccnc12 84504930 TZBQXKAZAIPDBP-UHFFFAOYSA-N 346.430 4.486 0 40 EIAB Fc1cc(Br)cc(F)c1OC(Cl)(Cl)Cl 95215559 HEEWHFHXJLWGCN-UHFFFAOYSA-N 326.351 4.434 0 40 EIAB Cc1nc(CNC2(c3ccc(Cl)cc3)CCOCC2)sc1C 95418628 YMFYYHXYBALYTE-UHFFFAOYSA-N 336.888 4.209 0 40 EIAB CC(C)n1ccc2cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21 95475756 IKJLIGUZOIAARE-OAQYLSRUSA-N 348.446 4.436 0 40 EIAB CC(C)Cn1ccc2cc(NC(=O)c3ccnc(N[N+]#N)c3)ccc21 95480191 OTBPAQPCIVLRSZ-UHFFFAOYSA-O 335.391 4.125 0 40 EIAB CC[C@H](C)CN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 96407985 MGLULQODDPTCIQ-PSLXWICFSA-N 338.517 4.244 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1c(Cl)cccc1Cl 100189256 KBCZZGONNCEEMZ-GTNSWQLSSA-N 334.250 4.354 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)CC2=O 100892267 MUGZYQVSRITIFW-IRXDYDNUSA-N 339.357 4.429 0 40 EIAB C[C@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccccc12 101390379 VKXXSOQCNNQBBU-LSKLOWJMSA-N 328.412 4.006 0 40 EIAB CC(C)(C)NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 104289906 YNLJLRWXJALECR-CPWXYTRJSA-N 328.294 4.025 0 40 EIAB O[C@H](c1ccccc1)c1nccn1Cc1ccccc1C(F)(F)F 133689660 DUPHJYGXSGCAOA-MRXNPFEDSA-N 332.325 4.032 0 40 EIAB Cc1nc(CSCCC(=O)Nc2ccc(O)c(Cl)c2)cs1 195556813 FXXYGDLHKQEXRQ-UHFFFAOYSA-N 342.873 4.073 0 40 EIAB Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C)o1 195564911 VZTGMAFFVRKRBC-POZUXBRTSA-N 342.439 4.177 0 40 EIAB O=C(NCc1ccc(F)cc1)N1CCS[C@@H](c2ccccc2)CC1 211145178 MQKNOSGIIUZYGW-GOSISDBHSA-N 344.455 4.216 0 40 EIAB Cc1ccc(CC(=O)NCCCc2cccc(OC(C)C)c2)cc1 219273844 PCPKHBDXIMKCFR-UHFFFAOYSA-N 325.452 4.074 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1Cl 222580292 QCHUHJMFJHAYCM-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB Cc1nc(-c2cccc(NC(=S)NCc3ccncc3)c2)cs1 225180286 KTCZBCNYBJUIRY-UHFFFAOYSA-N 340.477 4.000 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 225460009 KPWKFKPTGAPREO-UHFFFAOYSA-N 345.443 4.163 0 40 EIAB CC(C)Oc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 408629870 JMGCAICBUBCCHZ-UHFFFAOYSA-N 341.432 4.428 0 40 EIAB Fc1ccccc1-c1noc(Cc2cccc(Br)c2)n1 546296843 HFFNAVBTCWHGJL-UHFFFAOYSA-N 333.160 4.229 0 40 EIAB c1ccc2c(c1)CCC[C@]21C[C@H]1c1nc(-c2ccn3cncc3c2)no1 560041139 NJHZDGZXRFICII-RXVVDRJESA-N 342.402 4.146 0 40 EIAB CCN1c2ccccc2N[C@H]1SCC(=O)Nc1ccc(Cl)cc1 29019 LVVANLHRQSBGKU-QGZVFWFLSA-N 347.871 4.247 0 40 EIAB COc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1 190581 GOJMWEOORYCURQ-UHFFFAOYSA-N 341.310 4.252 0 40 EIAB Fc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 205871 ZQBUZNPHZFDPCF-HZPDHXFCSA-N 328.778 4.217 0 40 EIAB O=C(c1ccccc1Cl)c1c[nH]nc1-c1cc(Cl)ccc1O 302328 VFHZIWHTAVJUIJ-UHFFFAOYSA-N 333.174 4.320 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)CCSc2ccccc2)c1 563033 RTOCUJXDLMGAOS-UHFFFAOYSA-N 349.839 4.248 0 40 EIAB O=C(OCc1ccc(Cl)cc1)c1cccc(Br)c1 572002 RKTSKHWIRYRKSV-UHFFFAOYSA-N 325.589 4.460 0 40 EIAB CCc1ccccc1S(=O)(=O)c1c(C)cc(C)nc1OCC(C)C 1382115 OTZAMUTUDBRSPN-UHFFFAOYSA-N 347.480 4.128 0 40 EIAB O=C(CSc1ccc(Br)cc1)Nc1ccc(F)cc1 2143937 ULZWBVOFOMSDCQ-UHFFFAOYSA-N 340.217 4.319 0 40 EIAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1cccs1 2694676 LSFPONPCFUSCLH-UHFFFAOYSA-N 330.386 4.415 0 40 EIAB c1cncc(-c2nc(N3CCc4ccccc4C3)c3ccccc3n2)c1 3340141 JKPCEULHIROZLA-UHFFFAOYSA-N 338.414 4.255 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)/C=C/c3ccco3)cs2)cc1 4570784 QWAMSCNYLNFVRC-CMDGGOBGSA-N 338.432 4.084 0 40 EIAB Cc1nc2sc3c(OC(C)C)ncnc3c2c2c1COC(C)(C)C2 4811806 IUGFWUVLOSPAGL-UHFFFAOYSA-N 343.452 4.186 0 40 EIAB CCCCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 5235876 UOQTXICCZCKFAP-UHFFFAOYSA-N 329.488 4.321 0 40 EIAB COc1ccc(-c2nnc(SCc3ccccc3)o2)c(OC)c1 5391969 HGMFWZQQROTGKN-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1cccc(N2CCCC2=O)c1 5440539 MMZLMLFQQUGXNW-UHFFFAOYSA-N 344.414 4.148 0 40 EIAB COc1ccc2c(CC(=O)Nc3ccccc3SC)coc2c1 5443563 JDYHUSHFMUHMTA-UHFFFAOYSA-N 327.405 4.345 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 5556420 UNSFBESEEYWXBL-NSHDSACASA-N 328.437 4.084 0 40 EIAB CC(C)/N=C1\S/C(=C/c2ccc(Cl)s2)C(=O)N1C(C)C 6324995 VMFCBTJLDGATPA-ZKEQRUKQSA-N 328.890 4.491 0 40 EIAB CC(C)Oc1ccccc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 6539038 VIPLOHMVQHPSTC-VXLYETTFSA-N 332.787 4.271 0 40 EIAB Cc1c(C)n(Cc2cccnc2)c2ncnc(NCc3ccccc3)c12 6669563 YKOKEPBRDBUGNJ-UHFFFAOYSA-N 343.434 4.104 0 40 EIAB c1csc(-c2cc(CSc3nnc4n3CCCCC4)no2)c1 7642012 PZSVPTUHSMJZCR-UHFFFAOYSA-N 332.454 4.013 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cl)nc1 8071960 YSQVQXMNVSEFHM-GOSISDBHSA-N 336.822 4.449 0 40 EIAB CCOc1cccc2cc([C@@H](C)NC(=O)Cc3cccs3)oc12 8328670 FVJCPVOERIJMCT-GFCCVEGCSA-N 329.421 4.313 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)c1 8355657 GRQHCDMGHCYRGA-CQSZACIVSA-N 339.435 4.074 0 40 EIAB Cc1ccccc1-c1nnc2sc(CCCc3ccccc3)nn12 8392782 FUQZTQFTLDUBKO-UHFFFAOYSA-N 334.448 4.337 0 40 EIAB CCc1cccc(C)c1Nc1nnc(SCc2nnc(C)o2)s1 9339235 HDCZDDSHSOLIFF-UHFFFAOYSA-N 347.469 4.136 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccccc2OC)cc1OCC 10039342 ZZOKGNFUDQFXKC-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB COc1cccc(-c2nnc3sc(-c4ccc(C)c(C)c4)nn23)c1 10311644 MBQVDINMEHLBNN-UHFFFAOYSA-N 336.420 4.145 0 40 EIAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2C(C)C)on1 12186894 ADLJPQXKPZLDQY-UHFFFAOYSA-N 326.375 4.315 0 40 EIAB O=C(CNc1cccc2ccccc12)Nc1ccc2c(c1)OCCCO2 12606093 ZGLRKLZDQPLJMJ-UHFFFAOYSA-N 348.402 4.052 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cc(F)cc(F)c1 12747285 QMKCKODWTSHKMB-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB CN(Cc1cccs1)C(=O)c1ccccc1C(=O)c1cccs1 13017675 LFEFRUIKOBBLML-UHFFFAOYSA-N 341.457 4.313 0 40 EIAB Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3Cl)n2)cc1 13495231 MWJOLJFYDKYHMP-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccs1 13788234 COAVYNZGDVBIBK-UHFFFAOYSA-N 340.448 4.031 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3O)cc12 14247395 HLIXJWOZPJGBQV-UHFFFAOYSA-N 329.425 4.020 0 40 EIAB Cc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1C 15669577 AFBSLVHCTHZCBF-UHFFFAOYSA-N 341.436 4.376 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2C)n1 18193792 SQIOKBSATCYRRP-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB Cc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)nc2ccccc12 19657322 ZNIYHFAHEQYKET-UHFFFAOYSA-N 341.414 4.223 0 40 EIAB Cc1ccc([C@@H]2CC(=O)c3c(nc4nc5ccccc5n4c3C)C2)cc1 20635332 YZGOPGNIOXTXTF-INIZCTEOSA-N 341.414 4.412 0 40 EIAB O=C(NCc1ccccn1)c1ccccc1SCc1cccs1 21895882 HOWZLEHNDRFDBW-UHFFFAOYSA-N 340.473 4.365 0 40 EIAB CN(C)C(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl 22057046 KKLOWCNSFNGZQJ-UHFFFAOYSA-N 339.222 4.073 0 40 EIAB in-vitro C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(N(C)C)nc4)cc3c2C1 22394414 UEPIHJPMYHESNF-CYBMUJFWSA-N 348.450 4.006 0 40 EIAB Cc1c(Cl)cccc1NC(=O)N1C(=O)CSc2ccccc21 28527590 DWMBCHNRXXVMFG-UHFFFAOYSA-N 332.812 4.319 0 40 EIAB COCc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1 31206127 LGQBEQVHBOWUPC-UHFFFAOYSA-N 325.408 4.407 0 40 EIAB O=c1[nH]ncc(NCCC(c2ccccc2)c2ccccc2)c1Cl 32806225 KVIIFGKENJDVPZ-UHFFFAOYSA-N 339.826 4.057 0 40 EIAB Cc1cc(C(F)F)c2c(=O)[nH]c(=S)n([C@@H](C)c3ccccc3)c2n1 36617209 MNESXQZPOHIYCW-JTQLQIEISA-N 347.390 4.309 0 40 EIAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1C 38510718 OUVHVIPXLQREKW-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3F)cc2)C1 38849265 MBHGDAQDYBWGNQ-HNNXBMFYSA-N 326.415 4.310 0 40 EIAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 43174970 ZHYRTYKHDRQNML-OAHLLOKOSA-N 339.222 4.157 0 40 EIAB COCCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1-c1ccccc1 49947128 PXVKZGPMVGBCRL-UHFFFAOYSA-N 335.403 4.460 0 40 EIAB Cc1nnc(S[C@H](C)c2nc3ccccc3n2C(F)F)s1 54679847 WOHAXCOAWMLDOL-SSDOTTSWSA-N 326.397 4.445 0 40 EIAB Cc1ccnn1-c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 57991026 OUMOUEJYEZTZFE-UHFFFAOYSA-N 343.333 4.034 0 40 EIAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 65491118 IGLCUIUJSQUBEK-HIFRSBDPSA-N 339.391 4.109 0 40 EIAB CCOc1ccccc1C1CCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 71841893 XBIRNCUVMUCMQA-MSOLQXFVSA-N 339.435 4.188 0 40 EIAB O=C(COc1ccc(Cl)cc1)N(CCc1cccs1)C1CC1 75154799 BNGZUXQHSIKDNT-UHFFFAOYSA-N 335.856 4.014 0 40 EIAB CCc1ccc([C@H](C)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 75572514 REUNPEJSVZDKIZ-HNNXBMFYSA-N 332.488 4.299 0 40 EIAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(OC(F)F)cc1 78556321 GCAIBUVSDPIQGC-XFNZEKPQSA-N 328.355 4.437 0 40 EIAB O=C(O)c1ccc(/C=C/C(=O)c2cc(Br)ccc2F)cc1 84383671 DRHJGZXJHPKJAY-FPYGCLRLSA-N 349.155 4.183 0 40 EIAB CC(=O)N(C)c1cccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 86302078 BSHXMVNJUMLLDF-ZDUSSCGKSA-N 341.411 4.020 0 40 EIAB CC[C@@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc2cc(OC)ccc2c1 90455299 RPHKIPVTOCSYTP-UYAOXDASSA-N 335.451 4.170 0 40 EIAB C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1 95960128 IFPSZOXRCFXPIK-VIFPVBQESA-N 336.356 4.182 0 40 EIAB C1=CC(c2nn3c(-c4ccccc4)nnc3s2)=Cc2ccccc2O1 96306174 KQMWXNILMMNAMM-UHFFFAOYSA-N 344.399 4.300 0 40 EIAB COc1ccc(N(C(=O)c2cc3c(s2)CCOC3)C(C)C)cc1F 103008253 YIFFXBNXOQLEMF-UHFFFAOYSA-N 349.427 4.024 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)o1 162104786 BZXNDCUQWJTZBQ-HNNXBMFYSA-N 334.803 4.448 0 40 EIAB O=C(CCc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 199737173 QZYNVWTVVGHCML-UHFFFAOYSA-N 338.281 4.129 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(C(C)C)c3)N21 222672521 PUBOYEXAIIQHAV-BPQIPLTHSA-N 340.496 4.443 0 40 EIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 222907277 VOONRDYZKQSWIK-MSOLQXFVSA-N 342.512 4.093 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 226301494 OMZKFMIWRSTRII-RYUDHWBXSA-N 332.831 4.300 0 40 EIAB O[C@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccc(F)cc1)CN2Cc1ccccc1 247954831 MODPAPWMWURKBP-LRSLUSHPSA-N 339.454 4.345 0 40 EIAB Oc1nc(SCCOc2ccc(Cl)cc2)nc2sccc12 408597881 ZZXAERPWMFRZEW-UHFFFAOYSA-N 338.841 4.221 0 40 EIAB CCOc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1 409340049 PKZQZCYDLDDGAS-FOWTUZBSSA-N 325.389 4.326 0 40 EIAB O=C(CCc1ccccc1F)NC[C@H](c1ccsc1)c1ccco1 675008073 VBPHKCMLJTWPQC-MRXNPFEDSA-N 343.423 4.361 0 40 EIAB CCOc1cccc2sc(N3CC[C@H](c4ccccn4)C3)nc12 2298091171 AJTJRRFLKGPDCA-ZDUSSCGKSA-N 325.437 4.084 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(F)cc1 190386 JTMVUFVBGRCTOA-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB COc1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12 244987 YYRVZAGIJVQJSS-UHFFFAOYSA-N 348.383 4.331 0 40 EIAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c(C)c1 411222 ONTQOOCCDPYSMZ-UHFFFAOYSA-N 337.448 4.424 0 40 EIAB Cc1sc2ncnc(SCC(=O)N(C(C)C)C(C)C)c2c1C 415452 SJISEKOVZYXIQJ-UHFFFAOYSA-N 337.514 4.046 0 40 EIAB Cc1[nH]nc2c1[C@@]1(C)CC[C@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C2 2100041 GHWUZZCCPXLMSI-FBBQWMBLSA-N 328.500 4.135 0 40 EIAB Cc1ccccc1Cn1cc(NC(=O)c2ccc(Cl)cc2)cn1 2767803 KZCYEBAOIGXCEI-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB O=C(CCc1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 4087679 QWTDHZTWNRLDLI-UHFFFAOYSA-N 343.839 4.430 0 40 EIAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(Cl)cc1Cl 5005601 CCLSTXKOTBCBIO-BLLLJJGKSA-N 342.266 4.415 0 40 EIAB biogenic CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C 5030148 XKFICRGLDIIWGX-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[C@@H](C)C2 5454671 MFBIHHKSODRBQO-LLVKDONJSA-N 337.485 4.424 0 40 EIAB CCc1ccccc1OCC(=O)Nc1ccc2nc(C)sc2c1 6359369 ATSSIGBXTBZQHW-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB CCOC(=O)Cn1cc(-c2nc3ccccc3s2)c2ccccc21 6630327 VMIBUHFBXNRBFR-UHFFFAOYSA-N 336.416 4.481 0 40 EIAB O=c1[nH]c(/C(Cl)=C/c2ccc(O)cc2)nc2ccc(Cl)cc12 7325303 YHGBAAPPSNTRSX-QPEQYQDCSA-N 333.174 4.019 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCc2ccccc2C1 8118301 TUVCFJAMYCSZEI-ZDUSSCGKSA-N 348.368 4.091 0 40 EIAB COc1ccc(CC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 8279269 XHJJGJUQRDZIDM-CYBMUJFWSA-N 340.448 4.067 0 40 EIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1F)O[C@@H](C)C2 8289126 WGTWIBKJJNQZSR-XEHSLEBBSA-N 341.382 4.200 0 40 EIAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1F 8769925 JXGHHLDRYAZYKT-UHFFFAOYSA-N 341.411 4.255 0 40 EIAB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 10809070 BVWLCVOXGUWLSC-VIFPVBQESA-N 330.211 4.054 0 40 EIAB C=Cc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)cc1 12119082 XZUGLSUENHORLW-GOSISDBHSA-N 334.419 4.075 0 40 EIAB CCN(CCNC(=O)c1oc2ccccc2c1C)c1cccc(C)c1 12564784 HQHVEHHQPRZDBR-UHFFFAOYSA-N 336.435 4.306 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cccc(Cl)c1 12760505 KAATUXIDHMBSCZ-GFCCVEGCSA-N 349.839 4.468 0 40 EIAB c1ccc(CN(Cc2ccncc2)Cc2cccc3nccnc23)cc1 13989229 WJCPLOOSNNRVIV-UHFFFAOYSA-N 340.430 4.227 0 40 EIAB COc1cccc(COC(=O)c2c3c(nc4ccccc24)CCC3)c1 16208208 BKPQXNVHLKQQAI-UHFFFAOYSA-N 333.387 4.089 0 40 EIAB CCc1sc(NC(=O)CN2CCCCCC2)nc1-c1ccccc1 16740515 ATPUNQZYBOGSHT-UHFFFAOYSA-N 343.496 4.187 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](c3cc4ncccc4cn3)C2)cs1 19571760 VLQFHRQAMHAZIB-OAHLLOKOSA-N 337.448 4.020 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1OC 20482176 NFFQUWRRUPAZOY-INIZCTEOSA-N 349.814 4.153 0 40 EIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cc2ccccc2o1 22288954 PLAVFBLLWKDGED-UHFFFAOYSA-N 341.436 4.128 0 40 EIAB Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccccn2)c1 22506359 PXTGBHVQASFFFC-UHFFFAOYSA-N 349.459 4.175 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(OC(C)C)c1 22518306 AXUAKUVUTYIXQS-FQEVSTJZSA-N 341.451 4.256 0 40 EIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1nc2ccccc2o1 23764688 MEZLKCNIPXLNTC-VMPCVLLUSA-N 342.345 4.339 0 40 EIAB CN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@@H]1CCc2ccccc21 24828266 SCUUNCXBLNIFLK-LJQANCHMSA-N 346.430 4.420 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25091003 LGJMAXCFYSKPIX-GFCCVEGCSA-N 337.810 4.322 0 40 EIAB Cc1ccccc1C(=O)CN(C1=NCCCS1)c1ccc(F)cc1 28527676 DGYGVEKBZWAMSY-UHFFFAOYSA-N 342.439 4.316 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(C)c1 28683295 HRJVLUFHAFCVSO-AWEZNQCLSA-N 343.496 4.244 0 40 EIAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12 31903871 XWMFYGOLOJKMSD-MLGOLLRUSA-N 337.872 4.350 0 40 EIAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C 32863046 VJQZPTABELPTFB-HOTGVXAUSA-N 326.440 4.433 0 40 EIAB COCCN(Cc1ccccc1)C(=O)c1cc2cc(C)ccc2nc1C 40018243 SXRVKKSPBYMTLB-UHFFFAOYSA-N 348.446 4.140 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 41690395 WQVMLLJZZDUUPC-LHUKNYEISA-N 339.564 4.383 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)c[nH]1 42384317 CEPCYZMSOUTDIZ-UHFFFAOYSA-N 347.393 4.275 0 40 EIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C3CC3)[C@H](C)C(C)C)c12 46445538 RBPFKDDWAWZEJT-CQSZACIVSA-N 342.487 4.049 0 40 EIAB Clc1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 49581245 BAQQZPMERRUGIU-UHFFFAOYSA-N 334.810 4.438 0 40 EIAB Cc1ccc(CN(C(=O)Nc2cn[nH]c2)[C@H]2CCc3ccccc32)cc1 58005829 GAILYJUSDFYBEC-FQEVSTJZSA-N 346.434 4.440 0 40 EIAB CC(C)c1nc(CC(=O)N2CCCc3cc(Cl)ccc32)cs1 58345158 GHZABWLLJYBGEH-UHFFFAOYSA-N 334.872 4.442 0 40 EIAB Cc1cc2nc(N3CC4C[C@H]5CC3C[C@@H](C4)C5)c3ccccc3n2n1 65946822 OUEYKZHMHGRRJJ-RYTJFDOTSA-N 332.451 4.206 0 40 EIAB CCc1ccc([C@H](C)C(=O)Nc2ccccc2-c2nnc(C)o2)cc1 67972531 DNFBETULRBGVHA-ZDUSSCGKSA-N 335.407 4.350 0 40 EIAB O=C(CCc1nccs1)N(Cc1ccsc1)c1ccccc1 69442609 ARUGKSTWAXOUEF-UHFFFAOYSA-N 328.462 4.371 0 40 EIAB CN(C(=O)c1cccs1)[C@H](c1cccnc1)c1ccc(F)cc1F 69811190 ZBNQDAULKOTRKS-QGZVFWFLSA-N 344.386 4.283 0 40 EIAB CCN(CC)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 71834912 UFQLZJBYXSZSFY-UHFFFAOYSA-N 342.439 4.286 0 40 EIAB O=C(NC(c1cccs1)c1cccs1)[C@H]1C[C@@H]1c1cccnc1 71915264 AZGHLNJRCXUBQZ-KGLIPLIRSA-N 340.473 4.214 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1C1CCCC1 79623376 ZGHQLHFKCFKUCW-QGZVFWFLSA-N 339.439 4.206 0 40 EIAB O[C@@H](CN1CCC[C@@H]1CCc1ccccc1)c1ccc(F)c(F)c1 84528467 YCFGZWFARNPSFM-XLIONFOSSA-N 331.406 4.095 0 40 EIAB O=C(Nc1cc(-c2ccccc2)on1)N1CC[C@H](Oc2ccccc2)C1 85609764 SMIUKKONVMPCEF-KRWDZBQOSA-N 349.390 4.027 0 40 EIAB O=C(Nc1cc(-c2ccccc2)on1)N1CC[C@@H](Oc2ccccc2)C1 85609766 SMIUKKONVMPCEF-QGZVFWFLSA-N 349.390 4.027 0 40 EIAB CC(C)c1noc(CCCNCc2ccc(Cl)c3cccnc23)n1 89893635 FLSYXSCGBYBEGK-UHFFFAOYSA-N 344.846 4.117 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)C1CCCCCC1 95469862 QOEWXJIYTVOMIE-HXUWFJFHSA-N 340.467 4.132 0 40 EIAB Fc1cccc(-c2ncnc(Nc3cccc(C(F)(F)F)c3)n2)c1 96191548 ZYOOKSLOKIESNW-UHFFFAOYSA-N 334.276 4.440 0 40 EIAB CCCc1csc(NC(=O)N2CCC[C@@H]2c2ccc(COC)o2)n1 97161805 ORKZMXHDHJNHEK-CQSZACIVSA-N 349.456 4.204 0 40 EIAB COC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 216848055 CRDFXTBRCWDTTL-UHFFFAOYSA-N 329.154 4.498 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223471773 WCPAJJYYOAKCSS-DLBZAZTESA-N 341.451 4.265 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1OC 224852487 IQKBKFQJVYTKAE-CJNGLKHVSA-N 347.842 4.383 0 40 EIAB CCOc1ccccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225104261 WKYGMBZBDBBLDO-IBGZPJMESA-N 342.435 4.458 0 40 EIAB CC(C)n1cnc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccn2)c1 225606108 AOLWGPWGUNXAQR-QGZVFWFLSA-N 348.450 4.263 0 40 EIAB Cc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)c(C)c1 225618040 LBYRSVWQFDTUKG-AWEZNQCLSA-N 346.268 4.486 0 40 EIAB S=C(Nc1ccncc1)NC1(CCc2ccccc2)CCCC1 225874633 MSTDPFQRAPYIKF-UHFFFAOYSA-N 325.481 4.314 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)c2cccnc12 225884621 ZLJPDBAOIQPKIU-IBGZPJMESA-N 330.428 4.167 0 40 EIAB Nc1ccc(N2CCCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 226253842 RXUVASUWIGJMMB-UHFFFAOYSA-N 343.858 4.094 0 40 EIAB CS(=O)(=O)Cc1cccc(NC2CC(c3ccccc3Cl)C2)c1 509388142 PZEOWAJIAMCEEG-UHFFFAOYSA-N 349.883 4.243 0 40 EIAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 575443505 QLJLGMFLWZMQNA-KRWDZBQOSA-N 333.840 4.436 0 40 EIAB CC(=O)N(C)c1ccc(OCCCOc2ccc(Cl)cc2)cc1 586474199 JVKSVACOBBRFGL-UHFFFAOYSA-N 333.815 4.171 0 40 EIAB Clc1ccc(C[C@H](NCCC[C@H]2CCOC2)c2ccccn2)cc1 645853102 RXCWBEZHSXPYNI-PXNSSMCTSA-N 344.886 4.425 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 172781 NIYWFOYEZUZUGW-UHFFFAOYSA-N 336.416 4.182 0 40 EIAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cccs1 425770 HJJDFOJHDDGLSA-UHFFFAOYSA-N 345.424 4.072 0 40 EIAB COc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 559825 VRZKPEMKNFLEAE-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB CCOC(=O)[C@@H](C[C@H](C(=O)OCC)c1ccccc1)c1ccccc1 1684214 XZNGNYIKQDPHJW-OALUTQOASA-N 340.419 4.070 0 40 EIAB CCCCC(=O)Nc1cccc(C(=O)Nc2ccccc2OCC)c1 2073570 HHTAKECBGLVSOV-UHFFFAOYSA-N 340.423 4.466 0 40 EIAB c1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2359602 RNPLJWJQNYNICD-UHFFFAOYSA-N 345.431 4.017 0 40 EIAB CCCCc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 2582777 PBYCCEOEOFVPDC-UHFFFAOYSA-N 329.469 4.167 0 40 EIAB Cc1ccc(CNC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1 3279589 QLAYOXFDRQTJSR-UHFFFAOYSA-N 325.452 4.378 0 40 EIAB COc1cc(SC)ccc1C(=O)Nc1c(Cl)cncc1Cl 3335207 KFSAZXZSMJZAOP-UHFFFAOYSA-N 343.235 4.371 0 40 EIAB O=C(Oc1cccc(Br)c1)c1ccc(OC(F)F)cc1 3378125 DWEMWHIALNEAGF-UHFFFAOYSA-N 343.123 4.270 0 40 EIAB Cc1cc(OCC(=O)NCCc2ccc(Cl)cc2)ccc1Cl 3443761 PSNQQUUKIBIQPU-UHFFFAOYSA-N 338.234 4.040 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2Cl)c1 3556069 JRRNLNNQHFFGGS-MDZDMXLPSA-N 329.783 4.087 0 40 EIAB CCCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033489 VVVLNOJEMQQTTN-GOSISDBHSA-N 347.462 4.353 0 40 EIAB CSc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 4517576 GIGDWZUVIIIABC-UHFFFAOYSA-N 346.477 4.272 0 40 EIAB O=C(Nc1nnc(-c2cccs2)s1)C12CC3CC(CC(C3)C1)C2 4655861 RUFXTJDUFFXREA-UHFFFAOYSA-N 345.493 4.422 0 40 EIAB COc1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1 5515220 QAKFZKANPRNJHV-UHFFFAOYSA-N 333.387 4.380 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 6434036 KALSTSDSHVRBRA-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB COc1ccccc1CN(C)C(=O)c1cc2c(s1)CCCCC2 6561425 BSUXOSJUNMANTH-UHFFFAOYSA-N 329.465 4.298 0 40 EIAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccccc3F)on2)cc1 6757696 ZILGTTIXGAEONR-ZDUSSCGKSA-N 340.354 4.195 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@H](Sc1ncccn1)c1ccccc1 6911594 NLVCBESSKXHFHE-MRXNPFEDSA-N 339.395 4.088 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc(F)cc1 7192667 RYHKFXFMHTVDKU-JTQLQIEISA-N 346.358 4.378 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 7642058 QRCQOAXYJDKUNP-UHFFFAOYSA-N 342.395 4.275 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)N1CCc2sccc2[C@@H]1C 7829493 HRWFUIWOYNLIKA-LBPRGKRZSA-N 335.856 4.235 0 40 EIAB CC(C)c1cccc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 8096248 IGGPDAINSWSQEF-UHFFFAOYSA-N 335.407 4.431 0 40 EIAB COc1ccc(CCNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8231521 ZRHJYLSXDUJPEX-UHFFFAOYSA-N 346.430 4.093 0 40 EIAB Cc1noc(C)c1COc1ccccc1C(=O)NC1CCCCCC1 8745427 LLSXDNHIKBXAJF-UHFFFAOYSA-N 342.439 4.323 0 40 EIAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 10448574 VGWPRJFZTXCJSI-UHFFFAOYSA-N 342.826 4.038 0 40 EIAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC)cc2)cc1 10977801 FPSDERKVSGMKRV-HNNXBMFYSA-N 327.424 4.365 0 40 EIAB Cc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 12556271 KKHIMIYJHTVSDY-UHFFFAOYSA-N 327.384 4.235 0 40 EIAB S=c1n(-c2ccccc2)cnn1CN1CCC[C@H]1c1ccccc1 12564592 OMSSFSQTJVJCKN-SFHVURJKSA-N 336.464 4.198 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3)s2)cs1 12995634 OLDRAMNWYYSOOV-UHFFFAOYSA-N 346.452 4.292 0 40 EIAB C[C@@]12CC3CC(C(=O)Nc4ccc5c(c4)OCCO5)(C1)C[C@](C)(C3)C2 13301027 CYNDAYHXAMVWJZ-DELCKGKKSA-N 341.451 4.393 0 40 EIAB Cc1ccc(-c2noc(C[C@](O)(c3ccccc3)C(F)(F)F)n2)cc1 14241861 YEWPBMCHBKRKLI-KRWDZBQOSA-N 348.324 4.038 0 40 EIAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)c(F)c1 14902893 PVJQENKFJLVSFD-UHFFFAOYSA-N 338.260 4.067 0 40 EIAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccco1 15671095 JIWIPQMPZGMAPY-UHFFFAOYSA-N 331.331 4.249 0 40 EIAB COc1cccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)c1 15832469 XASBCSZKGJOQLV-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB C[C@H]1C[C@@H](C)CN2c3ccccc3CC3(C(=O)CC(C)(C)CC3=O)[C@H]12 16957110 WEOIUSWZPPNLHG-SIFCLUCFSA-N 339.479 4.038 0 40 EIAB CCN(CC)CCN(C(=O)/C=C\c1ccccc1)C1CCCCC1 17284406 VMJVPWFGZXYKGR-NXVVXOECSA-N 328.500 4.203 0 40 EIAB CCOc1ccc(CCC(=O)Nc2cccc(C)c2)cc1OCC 20458600 YIOUHXVMIJLFAV-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB Cc1csc(CCNc2ncnc3sc4c(c23)CC[C@@H](C)C4)n1 24760960 ZZSHFXASMWPNGK-SNVBAGLBSA-N 344.509 4.236 0 40 EIAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)C1CCCC1 28226531 JUVYRTLGFCFCIG-UHFFFAOYSA-N 338.238 4.367 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2nc(-c3ccc[nH]3)cs2)c(C)c1 28253001 FOPHVSJPYZPNLO-UHFFFAOYSA-N 341.436 4.081 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2cc(-c3ccccc3F)on2)n1 30039203 QWHAZLCDNFSTRL-UHFFFAOYSA-N 345.399 4.487 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)c(C)c1 30756548 QGNOIWUQUIYSIR-GOSISDBHSA-N 325.452 4.485 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccc(C)cc1 30855432 GKFHVQACWSRLON-HXUWFJFHSA-N 325.452 4.428 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)s1 33191669 YXZJWVBALBPPJF-KFEJWOFMSA-N 335.812 4.021 0 40 EIAB C[C@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2)c1 40074722 HNTRILKAWHLJRI-MRXNPFEDSA-N 335.403 4.220 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 48344248 XIBKNQWCQVERKE-QGZVFWFLSA-N 332.419 4.267 0 40 EIAB Cc1ccc(CN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 55393818 SANFEODTKSGYGW-UHFFFAOYSA-N 335.403 4.070 0 40 EIAB biogenic CC[C@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 57574295 ZCRGPQLJBRKMLU-LRDDRELGSA-N 336.888 4.147 0 40 EIAB Cc1cccc(OCCSc2nnc(C)n2-c2cccc(C)c2)c1 58024169 HDUJYSLQQIJIOS-UHFFFAOYSA-N 339.464 4.364 0 40 EIAB O=C(O)c1cc(-c2cccs2)nc2onc(Cc3ccccc3)c12 62710671 LHONFQLFGGCQHC-UHFFFAOYSA-N 336.372 4.240 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)c1nc(-c2cccs2)oc1C 65005040 CGXLLDABKPBCPF-UHFFFAOYSA-N 344.440 4.358 0 40 EIAB COC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1 65589011 ZXCYCOBMGRULMK-UHFFFAOYSA-N 341.411 4.307 0 40 EIAB CCOc1ccc(Cl)c(C(=O)NCc2cccc3ccccc23)n1 65635914 FHHVCGFGZRVEEW-UHFFFAOYSA-N 340.810 4.217 0 40 EIAB COC(=O)Nc1cc(NC(=O)c2c(F)cccc2Cl)ccc1F 66489674 WRMPTOKOBFGYGW-UHFFFAOYSA-N 340.713 4.049 0 40 EIAB CCC[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C(C)=O)c2)CC1 69491574 KYKZZMSLMMVECY-KRWDZBQOSA-N 345.487 4.099 0 40 EIAB Clc1ccc(CSc2nc(-c3ccccn3)n[nH]2)c(Cl)c1 71834809 UMXQFAYZLXQRIG-UHFFFAOYSA-N 337.235 4.466 0 40 EIAB Cc1cccc2ncnc(NCC3(c4ccccc4)CCOCC3)c12 72307822 DJIRLSVPHZFCGA-UHFFFAOYSA-N 333.435 4.099 0 40 EIAB C[C@H](c1ccco1)N(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 74519250 TXYVUORLAZGECO-CYBMUJFWSA-N 343.354 4.424 0 40 EIAB COc1cc(F)c([C@H](C)NC(=O)Nc2c(C)cccc2C)cc1OC 75612605 HFCJSGBGLCVPBV-ZDUSSCGKSA-N 346.402 4.342 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 76316510 WHMBRLRRYWDUCD-DNVCBOLYSA-N 339.439 4.160 0 40 EIAB Cc1cc(CS[C@H](C)C(=O)Nc2ccc(F)cc2Cl)on1 78555619 XXXQERLMKMOEQV-SECBINFHSA-N 328.796 4.036 0 40 EIAB COC[C@@](C)(NC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1 79025525 FQYHXWBXLLTGIL-HXUWFJFHSA-N 342.439 4.157 0 40 EIAB FC(F)n1c(CNC2(c3nccs3)CCCC2)nc2ccccc21 83214893 KHCZBBOLHVFURM-UHFFFAOYSA-N 348.422 4.447 0 40 EIAB CC[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1c(C)nn(C)c1C 86425601 FRSIQIJMDMNPPH-CZUORRHYSA-N 344.459 4.016 0 40 EIAB COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccncc1)C(C)(C)C 88783531 NDCZUQQWFUNWMX-GOSISDBHSA-N 341.455 4.019 0 40 EIAB C[C@H]1CN(C(=O)c2cnc([C@H]3CCCO3)s2)c2ccccc2S1 89824727 IZTKFIDZDBWFKU-WCQYABFASA-N 346.477 4.136 0 40 EIAB CCc1nc(C)c([C@@H](C)OC(=O)c2ncoc2-c2ccco2)s1 95401676 CVRMIEJWOMHYHK-SNVBAGLBSA-N 332.381 4.180 0 40 EIAB Cc1ocnc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95449200 FPTZNKQNSYWCGQ-NSHDSACASA-N 332.709 4.060 0 40 EIAB CC[C@H](NC(=O)Nc1cccc(Cl)c1OC)c1nccs1 96415833 PZGNQYJDOPGJDI-JTQLQIEISA-N 325.821 4.078 0 40 EIAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cccc2ccccc12 96460515 UKBJBIYPAYTWNE-UHFFFAOYSA-N 343.452 4.035 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103077153 JVPLYRPRJVNTFD-RYPNDVFKSA-N 344.480 4.249 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCS[C@@H](c2cccs2)CC1 219482978 CTDASZZRFBLQKQ-KBOKABMXSA-N 329.490 4.468 0 40 EIAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)CCC2 223158434 NVWKSSHFUNHFHT-GFCCVEGCSA-N 344.252 4.429 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(OC)c(C)c1 223228807 LIQLMJSQNNSPRR-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB CCOc1ccc(C(=O)NC)cc1COc1cccc2ccccc12 224627661 POMHQWFZPMBOBO-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224702406 AHKXCKSKPVRYFM-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB Cc1ccc(CCC(=O)NCc2cccc(OC(C)C)c2)cc1C 225008723 HZHMBHATRZMYIB-UHFFFAOYSA-N 325.452 4.340 0 40 EIAB O=C(CCc1ccccc1F)NCc1cncc(-c2cccs2)c1 225665158 VNJRAFKUASDKTG-UHFFFAOYSA-N 340.423 4.198 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(F)c(F)c1 225704057 DBJHTOMNUVLSBC-QGZVFWFLSA-N 348.418 4.337 0 40 EIAB Cc1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225738506 VLZCXPKDDUIPCJ-INIZCTEOSA-N 339.508 4.123 0 40 EIAB Cn1cc(CN(Cc2ccccc2)[C@@H]2CCCC[C@H]2O)c2ccccc21 248136320 OUXWLMCCCZTPEC-DHIUTWEWSA-N 348.490 4.484 0 40 EIAB S=C(c1ccccc1Oc1ccccc1Cl)N1CCOCC1 408727997 YZTPQNVSVKQIPL-UHFFFAOYSA-N 333.840 4.140 0 40 EIAB CSc1ccccc1C(=O)NCC1(Cc2ccc(F)cc2)CC1 539991078 OQCMWVPAAANSGX-UHFFFAOYSA-N 329.440 4.300 0 40 EIAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1coc(-c2ccc(Cl)cc2)n1 574823641 PCRRCHMDMPQHNY-WQGACYEGSA-N 348.830 4.069 0 40 EIAB CSCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)n1cccc1 604419343 VZVFKHXCIBZZQR-CYBMUJFWSA-N 349.456 4.170 0 40 EIAB Oc1ccc(Cl)c(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 1653614774 SABLCDDVUBRTNQ-FQEVSTJZSA-N 338.838 4.452 0 40 EIAB CN(C)c1cccc(C(=O)NCc2cc(-c3ccoc3)cs2)c1 1775970072 ZWWWRYZXGVXMCK-UHFFFAOYSA-N 326.421 4.004 0 40 EIAB Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)c1ccncc1 127534 CKYYVCAQJLZECH-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB Clc1ccc(-c2nnc3n2N=C(c2cccs2)CS3)cc1 160058 BMYUDPDEJWWXNI-UHFFFAOYSA-N 332.841 4.018 0 40 EIAB CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 348010 BDZUYECIQVBFTC-UHFFFAOYSA-N 326.783 4.369 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 506116 IMJDQGVRYMCZGM-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 3417578 IEYAPFNIDXNXSB-LLVKDONJSA-N 338.234 4.422 0 40 EIAB Cc1c(C(=O)C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C 4062509 RVCJYDXUZIEUKO-HIFRSBDPSA-N 340.467 4.000 0 40 EIAB Oc1cccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)c1 4734012 HGUJHOJDOSGNPE-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB O=C(CCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccccc1 5104055 SOOGRYSPVROLLT-OAQYLSRUSA-N 348.490 4.177 0 40 EIAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c1 5340330 JMJOFVDFXJVJQE-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=C(OCC1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 5970860 OTPIJBSDGURBON-UHFFFAOYSA-N 344.455 4.054 0 40 EIAB CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc2ccccc2c1 8127378 XCQFLBHMSZSDJB-UHFFFAOYSA-N 340.373 4.189 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 8237817 HUPDXQADLOJSDV-GFCCVEGCSA-N 329.783 4.342 0 40 EIAB COc1ccc2cc(CN(C)C(=O)NCc3ccc(C)cc3)ccc2c1 8985874 PGPCTQYFQUJGSI-UHFFFAOYSA-N 348.446 4.498 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1 9516561 TYMCGQXILARNRK-CQSZACIVSA-N 346.858 4.260 0 40 EIAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 10674837 OSOGVXLLEWGFLV-MRXNPFEDSA-N 347.480 4.050 0 40 EIAB Cc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620668 CCRPQQCOPLLZIG-UHFFFAOYSA-N 343.858 4.299 0 40 EIAB Cn1/c(=N\C(=O)CCc2ccccc2)sc2c3ccccc3ccc21 11852851 ZTECCALCCXXORX-QURGRASLSA-N 346.455 4.453 0 40 EIAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 12265902 HOKHSICVTVCVQA-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB CC(C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 12999014 CKUOJMYQLZHPSK-GOSISDBHSA-N 339.435 4.252 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 13011182 ZITFMXDGJYBRNE-CQSZACIVSA-N 343.279 4.088 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1 14166567 RIRVUKOAUCBVGX-UHFFFAOYSA-N 327.384 4.271 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14396373 FFTIMSAIFPKBMC-HUUCEWRRSA-N 331.843 4.245 0 40 EIAB O=C(Nc1cccnc1)c1ccccc1SCc1cscn1 23177537 UEYLLHSDBZPOIN-UHFFFAOYSA-N 327.434 4.083 0 40 EIAB CC(C)c1cc(C(=O)N2CCCC[C@H]2C)c2cnn(C(C)C)c2n1 23192121 QVKNOGOJPOMLML-CQSZACIVSA-N 328.460 4.150 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)c1cc2cc(Cl)ccc2o1 24975597 CPRSBAMDEJZOGY-UHFFFAOYSA-N 345.782 4.439 0 40 EIAB CCCCC(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 25053255 DLKYFWQTXAAWHN-UHFFFAOYSA-N 340.452 4.339 0 40 EIAB CCOc1ncccc1NC(=O)c1sc(-c2ccccc2)nc1C 27580792 ZYFRVGJMFHFADR-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)C1 30946973 OGHVABDCWAWUFR-QGZVFWFLSA-N 334.463 4.121 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1ccc(OC[C@H]2CCCO2)cc1 32731974 PDZUZUADFVUHMO-GOSISDBHSA-N 348.402 4.045 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 32802920 CRKRTCGKYSQMRO-GXTWGEPZSA-N 332.341 4.088 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccc(F)cc2)C1 36356839 HLVUDQKVTDUUBJ-ZDUSSCGKSA-N 325.318 4.274 0 40 EIAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-n2ccnc2)cc1 40038939 CZTYEOBHFDIJQX-IRXDYDNUSA-N 348.450 4.336 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 40119691 CJHTUSBGYMUBQD-UHFFFAOYSA-N 345.801 4.417 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(OC(F)F)c1 44457354 MTUKWSJQWLLBIZ-UHFFFAOYSA-N 330.334 4.341 0 40 EIAB Clc1ccc2oc(-c3cc(-n4cnnc4)ccc3Cl)nc2c1 45887376 WHZMQDKYZYKDHR-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB Cc1cc(C)n(-c2nc3cc(C)c(Br)c(C)c3s2)n1 45888621 UKSFGVNGMOELQX-UHFFFAOYSA-N 336.258 4.478 0 40 EIAB CC(C)(C)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 48309879 RIAZMDGJSLZKLP-UHFFFAOYSA-N 328.359 4.356 0 40 EIAB CC1(C)CC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC(C)(C)N1 48341845 FBGTXRYDXIBPBE-UHFFFAOYSA-N 343.393 4.136 0 40 EIAB COc1ccc(CN(C)Cc2cc(-c3cccs3)on2)cc1F 53096900 MQUILDKXROADFP-UHFFFAOYSA-N 332.400 4.183 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccc(F)cc1 54190887 VZVCWHOTAKFGAH-SFHLNBCPSA-N 346.405 4.230 0 40 EIAB O=C(c1csc2c1CCCC2)N1CC=C(c2ccc(O)cc2)CC1 57841060 KSYMNQWVQXWVTQ-UHFFFAOYSA-N 339.460 4.262 0 40 EIAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cccc2cn[nH]c12 58110811 NWQPLRCXBGNQHU-UHFFFAOYSA-N 325.371 4.386 0 40 EIAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCCc1ccccc1)CC3 59484451 XUIBLAKSYILQTG-UHFFFAOYSA-N 341.410 4.167 0 40 EIAB CC[C@@H](C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1)c1ccccc1 72232244 IYASMZHQYJQLQN-DLBZAZTESA-N 341.455 4.093 0 40 EIAB CCC(CC)c1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)on1 72295263 AJAYLTYBGCEIQU-LBPRGKRZSA-N 346.427 4.086 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n1 72298554 ZZQKGZJAIRXDOU-HNNXBMFYSA-N 336.407 4.026 0 40 EIAB C[C@H](NC(=O)N(C)[C@H](C)c1cccnc1)C(C)(C)c1ccccc1 75582596 MEDWFALGFGYFMQ-CVEARBPZSA-N 325.456 4.150 0 40 EIAB C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cn1 92753541 QGSBXGYNDLKGHP-ZDUSSCGKSA-N 330.403 4.027 0 40 EIAB CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1csc(CC)n1)CCO2 95422313 VFAPVHSTEIGESD-DOMZBBRYSA-N 332.469 4.279 0 40 EIAB Cc1ccc2nc([C@H]3CCCN(c4cc(Cl)nc(C)n4)C3)[nH]c2c1 95469175 BJSKCAGPAGDFTJ-ZDUSSCGKSA-N 341.846 4.007 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(C)(C)C)on1 96418053 BKZVZCQGHHNXPP-AWEZNQCLSA-N 330.432 4.372 0 40 EIAB COc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1C 101014597 QUCRYDKGFZRQTE-CQSZACIVSA-N 346.224 4.045 0 40 EIAB O=C(Cc1cccs1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 102819110 HJZUCOXKTBOLLR-UHFFFAOYSA-N 347.443 4.150 0 40 EIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(F)cc1 222945760 UFGLMRZCFYPFEV-SNVBAGLBSA-N 334.188 4.180 0 40 EIAB CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 223723799 SHELTAWYWJKQQI-UHFFFAOYSA-N 337.872 4.116 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cn2ccnc2)cc1 223844235 HTYUCDDXIXFHHJ-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB CCCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC1CCCCC1 225033978 NRLXLZSEQGMAJN-LJQANCHMSA-N 344.499 4.043 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccccc1OC 225568224 BVFHQXBQJGBSNJ-SUMWQHHRSA-N 347.842 4.383 0 40 EIAB O=C(Nc1ccccc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 226321667 JGPFHNQEDPLLPE-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N(Cc1ccncc1)C1CCCCC1 247960158 XDTHUZVHHOOHLQ-MISYRCLQSA-N 336.479 4.345 0 40 EIAB Cc1ccc2[nH]c(C(=O)NC(C)(C)c3c(C)noc3C)cc2c1C 286310748 GQOFKDOQUOUEPS-UHFFFAOYSA-N 325.412 4.055 0 40 EIAB CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 408820795 YUTAZYSZLIAOLT-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB COc1c(Cl)cc(Cl)cc1/C=C1\N=C(c2ccccc2)OC1=O 195174 IVPZVSZETBJBQI-ZSOIEALJSA-N 348.185 4.347 0 40 EIAB CCOC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OCC 196401 UWZZDZNGXRTAFU-UHFFFAOYSA-N 333.384 4.380 0 40 EIAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1=NCCS1 369112 CUXBMRUFZALAKS-UHFFFAOYSA-N 347.443 4.043 0 40 EIAB CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 427692 BSUNLLCMKZGFRQ-DOMZBBRYSA-N 325.408 4.191 0 40 EIAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccccc1 569322 GCQQARYPSYGRIN-UHFFFAOYSA-N 347.852 4.077 0 40 EIAB c1ccc(Cc2cnc(N3CCCCC3)nc2N2CCCCC2)cc1 1676313 JQWGHMCKIKFATG-UHFFFAOYSA-N 336.483 4.048 0 40 EIAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cccs2)c1Cl 3231764 MMHXHXOGYKOACG-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB COc1cccc(/C=C/C(=O)Oc2c(C)ccc(C)c2C)c1OC 3290581 QGHWSMKXOOLVHZ-VAWYXSNFSA-N 326.392 4.248 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)nc3)n2)cc1 3346003 WMNONVOCDFURLS-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 4025684 CWEKHXSSQMBRHH-LDJCDLSFSA-N 327.468 4.320 0 40 EIAB biogenic O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1Cc1ccccc1 4567368 BIZHBWRIHWJGGZ-RGEXLXHISA-N 328.371 4.110 0 40 EIAB CC(=O)N1CCCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 5373698 FCOOPRZKXKKQAZ-UHFFFAOYSA-N 344.414 4.391 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)c1ccccc1Br 5710651 PPBPOOXUYBBAQA-UHFFFAOYSA-N 348.225 4.015 0 40 EIAB C[C@@H]1C[C@@H](C)CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 6007753 YYTKDJBCMXAENE-CHWSQXEVSA-N 330.453 4.017 0 40 EIAB O[C@@](c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F 6590349 BKUMAGSGDZLWQD-MRXNPFEDSA-N 332.281 4.107 0 40 EIAB CCCNc1c(NC(=O)c2ccccc2C)c(=O)oc2ccccc12 6917524 ZAXDKWUXVOZQMI-UHFFFAOYSA-N 336.391 4.176 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1cc(-c2ccccc2)[nH]n1 7028019 XKRJVHYMJQHNQM-UHFFFAOYSA-N 335.388 4.043 0 40 EIAB c1ccc(-n2c(SCCc3ccncc3)nnc2-c2ccco2)cc1 7035110 ONPWTWNEKQINTB-UHFFFAOYSA-N 348.431 4.257 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CN1CC=C(c2ccccc2)CC1 7651107 IVVAODVYJHADNL-UHFFFAOYSA-N 340.854 4.376 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1C1CC1 7886038 KIAKROHFOHYXAQ-MRXNPFEDSA-N 332.325 4.434 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nccs2)cc1 7985911 GFSSWOWZKTVRMS-UHFFFAOYSA-N 333.416 4.473 0 40 EIAB CCc1cc2c(SCC(=O)N[C@H]3CCCC[C@H]3C)ncnc2s1 8394805 FQJQYDOCFNTAKD-RISCZKNCSA-N 349.525 4.041 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cccc3ccccc23)c1C 9218639 GCDRKPIYDYZURX-ZDUSSCGKSA-N 334.419 4.478 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1 9476667 SXWHCWYCJZZKSU-UHFFFAOYSA-N 347.378 4.207 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)c2cnn(C(C)C)c2n1 10965741 ORSCFYNXPUWSFN-HNNXBMFYSA-N 336.439 4.120 0 40 EIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)CC 11614079 BNZYWQPZYNVCFU-ZDUSSCGKSA-N 347.908 4.294 0 40 EIAB Cc1ccccc1-n1c(N)c(C(=O)NC2CCCCC2)sc1=S 12415947 DNKVAOYBRUMNHD-UHFFFAOYSA-N 347.509 4.221 0 40 EIAB CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 12602408 CUZQMHIMGMDZST-UHFFFAOYSA-N 333.435 4.378 0 40 EIAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 13339192 SONSOTYJHQIJQV-JLHYYAGUSA-N 325.389 4.320 0 40 EIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1O 14093068 VMLYFQVTHWYDDG-UHFFFAOYSA-N 342.782 4.272 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 14181516 JDJQKECHSOOLQA-UHFFFAOYSA-N 344.886 4.041 0 40 EIAB CC(=O)c1ccc(OC(=O)C2(c3cccc(F)c3)CCCC2)cc1 14464142 QXAHUAGLULLUQH-UHFFFAOYSA-N 326.367 4.446 0 40 EIAB COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 15539450 XPWVGFOTYHTTMR-INIZCTEOSA-N 338.432 4.282 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccccc2Cl)c1 20485268 MRJGAKYGFBZWQV-QGZVFWFLSA-N 347.842 4.213 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1 20897462 PYFRBOZUAHEDBP-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)nc1 21935062 RMVVDXBFLGKPLF-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 22389288 MPBKPZXQRLFWEJ-UHFFFAOYSA-N 329.208 4.266 0 40 EIAB Cc1nc(NC(=O)CC2CCCC2)sc1-c1nccn1C(F)F 24968293 OEOXIEDCFHFLPR-UHFFFAOYSA-N 340.399 4.229 0 40 EIAB O=C(COc1ccccc1F)Nc1nc(-c2cccc(F)c2)cs1 25322016 PVAOZXPLBKBONP-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB Cc1cc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c(C)o1 27929602 RRFLFXFYGFWRJQ-UHFFFAOYSA-N 329.787 4.047 0 40 EIAB COC(=O)c1ccc(NCc2coc(-c3cccs3)n2)c(C)c1 32803954 XXKQUIVPKLZCCW-UHFFFAOYSA-N 328.393 4.110 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C2CCCCC2)o1 36652083 RLKIDEFEJRLISW-UHFFFAOYSA-N 335.791 4.032 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c3cccnc23)c1 42664164 QVIPLXZKTZAIDP-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)c1ccccc1 44974296 IDQRYPAWKZXFMI-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccnc1N1CCCC1 48353599 MXYQVPPAYAQSKJ-UHFFFAOYSA-N 349.478 4.398 0 40 EIAB O=C(CSC1CCCC1)N1CCC(COCc2ccccc2)CC1 49028628 KWMDUXSWXFEUIB-UHFFFAOYSA-N 347.524 4.118 0 40 EIAB COc1ccc(NC(=O)Nc2ccc(Br)cc2)c(C)c1 51355894 DQKONLNDLGPEJN-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB O=C(NC[C@H]1CCCOC1)c1cc2sc3ccccc3c2s1 55923170 PLXOBHYCEJPEBE-LLVKDONJSA-N 331.462 4.272 0 40 EIAB O=C(NCCc1cccs1)Nc1ccc(Cc2ccncc2)cc1 58114669 CIBKLGCRVGTKTA-UHFFFAOYSA-N 337.448 4.098 0 40 EIAB C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 58222751 YLWREEXYJAYJAH-AUUYWEPGSA-N 327.399 4.389 0 40 EIAB O=C(Nc1cccs1)N(CCc1ccccc1)Cc1ccccn1 62017974 JXCVFZYNLWXANU-UHFFFAOYSA-N 337.448 4.420 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 71911039 IKHKYSYHGCEIMI-UONOGXRCSA-N 330.815 4.264 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2cccc(Cl)c2F)ccc1C 72282511 MIRGDPUMZDCWON-UHFFFAOYSA-N 335.766 4.390 0 40 EIAB CC[C@@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1 75146888 NFWWVIBDIUVBNI-QGZVFWFLSA-N 333.457 4.045 0 40 EIAB CC(C)n1cc(CCC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 79189296 HPBCDTHLHNPLFF-KRWDZBQOSA-N 342.483 4.229 0 40 EIAB biogenic Cc1ccc(CCCC(=O)Nc2ccc3c(c2)NC(=O)CS3)s1 89656537 RNYZWQHOLPVIKJ-UHFFFAOYSA-N 346.477 4.062 0 40 EIAB C[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccccc1C(F)(F)F 96405212 KMSOOVSKQKJICW-GFCCVEGCSA-N 337.345 4.003 0 40 EIAB CCOC(=O)Nc1cccc(NCc2nc3ccccc3n2C)c1C 96482752 SDUOTCWFVQBEHX-UHFFFAOYSA-N 338.411 4.062 0 40 EIAB Cc1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2ccco2)s1 97996324 ZWJMCKBCDYRCQL-HJWRWDBZSA-N 327.405 4.485 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 100059601 NAORKALMWGJFTQ-HOJOPBEUSA-N 348.229 4.251 0 40 EIAB CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]21 100752436 KLOBYBBPFARQIW-DTTOXWODSA-N 341.838 4.296 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1-n1cccc1)CC2=O 100755470 PRLVLEBEIFWTMG-SFTDATJTSA-N 336.435 4.201 0 40 EIAB O=c1c2ccccc2nc(S)n1Cc1ccc(Cl)cc1Cl 102324273 VLGDDAMQEOTOBU-UHFFFAOYSA-N 337.231 4.040 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cccc1C 223433985 SNWGKRBYSUWBAS-UHFFFAOYSA-N 341.885 4.480 0 40 EIAB C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(F)cc1 224059432 NJELBESDXFXLOV-GFCCVEGCSA-N 343.789 4.156 0 40 EIAB O=C(NCCCOC1CCCCC1)C1(c2ccccc2)CCCC1 224249082 GRMKMJHYURWZJD-UHFFFAOYSA-N 329.484 4.354 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1OC 224852452 IQKBKFQJVYTKAE-CZUORRHYSA-N 347.842 4.383 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225862602 PTCMKHLGJHNESW-UHFFFAOYSA-N 330.815 4.194 0 40 EIAB COc1ccc(C2(NC(=S)Nc3ncccc3C)CCCC2)cc1 225871978 UYOLPVJCFYHEBJ-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4F)OCC[C@@]31C2 257227345 FOWHBYNNSLOXCP-NEBOSXTKSA-N 345.458 4.234 0 40 EIAB Cc1cccc(CN2C(=O)N/C(=C/c3c(C)cc(C)cc3C)C2=O)c1 409249134 JNVLYXWEBRRGOV-YBFXNURJSA-N 334.419 4.013 0 40 EIAB OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2OCCC[C@@H]12 601008692 RROYEMKQPPGUAQ-YNZJMPHRSA-N 330.255 4.418 0 40 EIAB CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc2ccccc2c1 629447134 BQLNBUIKLUSBFQ-LEWJYISDSA-N 344.458 4.432 0 40 EIAB Cc1ocnc1CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2087038509 VTOBUVUHLNWYPW-UHFFFAOYSA-N 348.450 4.183 0 40 EIAB Cc1ccc(C(=O)N2C(=O)[C@@H](c3ccccc3)Oc3ccccc32)cc1 69379 UGBCOLSYAACMKM-HXUWFJFHSA-N 343.382 4.302 0 40 EIAB O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc21 81590 BKZOIKUBPIWBKV-UHFFFAOYSA-N 331.443 4.174 0 40 EIAB aggregator CCOc1ccc(/C=C/C(=O)Nc2cccc(OC)c2)cc1OCC 147419 UCOPQHMUXMCDOF-ZRDIBKRKSA-N 341.407 4.145 0 40 EIAB COc1cccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)c1OC 363645 LLJKBFDKGXTKRO-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB CC(C)Cn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 527461 XVAIXWCWRNIKNI-UHFFFAOYSA-N 344.418 4.493 0 40 EIAB Nc1c(-c2ccsc2)cnn1-c1nc(-c2ccccc2F)cs1 1386191 JNNMKLHSQARAKJ-UHFFFAOYSA-N 342.424 4.446 0 40 EIAB CC(C)C[C@H]1CC(=O)c2sc(NC(=O)c3cccs3)nc2C1 2555597 ADIXZMDGKXMZJC-SNVBAGLBSA-N 334.466 4.248 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 3093829 JTCHYAYGNHFGLI-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1onc(NC(=O)c2ccc(Cl)cc2Cl)c1Br 3261788 FQNMJUAIBRTCBS-UHFFFAOYSA-N 349.999 4.305 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)c1 3329940 YCKHMDRFWVJTBK-UHFFFAOYSA-N 333.387 4.200 0 40 EIAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 4738613 VJFWXYOOYIEGID-UHFFFAOYSA-N 338.451 4.249 0 40 EIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(Br)o1 5017654 RRHQDCJKNLLQHC-DEKJKZHBSA-N 344.164 4.052 0 40 EIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)N1 5686192 DBMDIRLMQDAWHU-OAHLLOKOSA-N 343.477 4.024 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 5878750 QABOMEUOAVOYSU-UHFFFAOYSA-N 334.375 4.347 0 40 EIAB COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 5954616 WSCCZHJZVDZUSC-XHXJHSHESA-N 344.451 4.164 0 40 EIAB biogenic C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 6251547 GRBWQQVCQNNQLS-SECBINFHSA-N 330.236 4.139 0 40 EIAB Cc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1 6277601 ZLMNNRVUABACCF-UHFFFAOYSA-N 347.443 4.043 0 40 EIAB O=C(OCc1c(F)cccc1Cl)[C@H]1Cc2cc(Cl)ccc2O1 6590135 GQNQKDDWMAQVRQ-OAHLLOKOSA-N 341.165 4.179 0 40 EIAB Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3)n2)o1 6994282 NKAWBPZRKJVHFT-LBPRGKRZSA-N 328.393 4.118 0 40 EIAB CCSc1ccc(CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 7597827 ITXIPBAELLYMGP-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccco2)cc1 7784284 WHQZUVCWFGGNDO-UHFFFAOYSA-N 348.446 4.399 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccc3ccccc23)c1C 9218640 GCDRKPIYDYZURX-CYBMUJFWSA-N 334.419 4.478 0 40 EIAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 9998295 QOPIJKJLPYDPGO-SNVBAGLBSA-N 334.769 4.172 0 40 EIAB Cc1c(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)oc2ccccc12 10643855 ZOIAPABSDMHUEW-QGZVFWFLSA-N 345.402 4.178 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 12754354 KKMVYYBSMGVMFI-UHFFFAOYSA-N 344.414 4.488 0 40 EIAB C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc12)[C@H]1CCCO1 12929930 YQLNPRVKGHYXJQ-MLGOLLRUSA-N 325.437 4.338 0 40 EIAB O=C(O)Cc1csc(SCc2ccc(Cl)cc2Cl)n1 13414376 MQJIUMWUPFODBY-UHFFFAOYSA-N 334.249 4.369 0 40 EIAB O=C(NCCCN1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 13671218 KIRKARLWAWCPIG-ZBJSNUHESA-N 348.490 4.219 0 40 EIAB COc1cc(C)c(CN(Cc2ccncc2)Cc2cccnc2)cc1C 13989680 FLYKMNOAFLSERI-UHFFFAOYSA-N 347.462 4.304 0 40 EIAB Cc1cnc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)s1 14185829 JHAAPQWBDBSPCX-UHFFFAOYSA-N 349.868 4.410 0 40 EIAB COc1ccc(-c2ccc(CCC(=O)N3CCc4ccccc43)o2)cc1 16705840 VUZMUWUGRKYPKX-UHFFFAOYSA-N 347.414 4.477 0 40 EIAB Clc1ccc(OCc2n[nH]c(SCc3ccccc3)n2)cc1 21112186 FZGWVPRIVNXWGF-UHFFFAOYSA-N 331.828 4.329 0 40 EIAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(CO)c2)c2ccccc2)cc1 21473292 CTNVIWBWJQKJMN-NRFANRHFSA-N 346.430 4.279 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 22511059 MIJZILLJUYBWEK-CQSZACIVSA-N 341.407 4.003 0 40 EIAB Cc1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)co1 22538442 VVESGNGDHSYSRI-UHFFFAOYSA-N 340.766 4.120 0 40 EIAB CC(C)[C@H]1C[C@@](CC(=O)N2CCCCC2)(c2ccccc2)CCO1 27666675 AMTFHLUOIPKNMS-CTNGQTDRSA-N 329.484 4.162 0 40 EIAB COc1ccc(-c2nc(C(=O)Oc3cccc(C)c3)cs2)cc1 28240442 GBMQVARFGGLYMT-UHFFFAOYSA-N 325.389 4.346 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C)c2C)cc1OC 30868604 XBOFECYHCUUNLH-CQSZACIVSA-N 345.464 4.440 0 40 EIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1F 31455896 HZAWZKGZFPNFEZ-UHFFFAOYSA-N 340.329 4.191 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C(C)C)cc1 32744674 PKRUTURDMKONIP-UZLBHIALSA-N 341.451 4.284 0 40 EIAB COc1ccc(Cc2nnc(SC/C=C/c3ccccc3)o2)cc1 35264647 UJXUZQFEALGORG-VMPITWQZSA-N 338.432 4.475 0 40 EIAB Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)c1 36620968 OOLDEYHJIQVUGS-QGZVFWFLSA-N 338.407 4.135 0 40 EIAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1OC 40158495 MQUZIWIJUBKDHL-QGZVFWFLSA-N 342.826 4.436 0 40 EIAB CCn1cc(NC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cn1 43645540 MSNIPKPJIKLPFH-SFHVURJKSA-N 342.443 4.061 0 40 EIAB CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Br 47913110 QLOPWFOKKSLPMC-UHFFFAOYSA-N 348.118 4.193 0 40 EIAB CCc1ccc([C@H](NCC(=O)Nc2ccc(Cl)cn2)C(C)C)cc1 57322791 UIENZIZHUFELDI-LJQANCHMSA-N 345.874 4.223 0 40 EIAB COC(=O)c1cc(OCc2ccc(F)cc2Cl)c2ccccc2n1 65033062 XIKDCFLKUUYBOE-UHFFFAOYSA-N 345.757 4.393 0 40 EIAB C[C@H](NC(=O)C1CCOCC1)c1ccc(Oc2ccccc2)cc1 65611913 RJJSFPGHRCDHHV-HNNXBMFYSA-N 325.408 4.083 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)s1 66445438 FMWLSUULJZSFAB-CQSZACIVSA-N 327.409 4.037 0 40 EIAB O=C(Nc1ccc2c(c1)NCCC2)c1sccc1Br 69053094 PXHZOGMEKZWTOS-UHFFFAOYSA-N 337.242 4.121 0 40 EIAB Cc1ccoc1C(=O)NC1CCN(Cc2cccc3ccccc23)CC1 72054618 LRRSYJYBXVNFHP-UHFFFAOYSA-N 348.446 4.136 0 40 EIAB C[C@H]1c2cccc(C(=O)Nc3ccc(-n4ccnc4)cc3)c2O[C@@H]1C 73751942 DWIZTOFITVJIHR-ZIAGYGMSSA-N 333.391 4.009 0 40 EIAB COCc1nc(CNc2cccc(-c3nc(C)c(C)o3)c2)cs1 95428760 FHTRHKJTXXJXLM-UHFFFAOYSA-N 329.425 4.173 0 40 EIAB COc1ccc(C(=O)Nc2ccc(O)c(C)c2)cc1-c1ccccn1 95438362 QBIJTECWNTXXQG-UHFFFAOYSA-N 334.375 4.024 0 40 EIAB Cc1ccc(CN[C@H](C)c2cccs2)c(OC[C@H]2CCOC2)c1 95969172 IQBBDRXDGINPRJ-CVEARBPZSA-N 331.481 4.323 0 40 EIAB CC1(C)CC(=O)Nc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc21 96182996 DKYCJPNBJNCDSN-HZPDHXFCSA-N 334.419 4.049 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N[C@H](C)Cc2c(C)noc2C)c1 96415977 LHYLBQKHYMTETJ-BXUZGUMPSA-N 347.484 4.468 0 40 EIAB Cc1ccc(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 155848363 SSZKMQIKFQWVLX-OAHLLOKOSA-N 330.453 4.158 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC 219282198 DHOZEPRLFXHGKL-MRXNPFEDSA-N 341.451 4.131 0 40 EIAB O=C(c1ccccc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219313535 XXYVCFJAUCSLER-KRWDZBQOSA-N 333.403 4.285 0 40 EIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223080654 QDXVBYUQFWHOJJ-ROUUACIJSA-N 341.480 4.288 0 40 EIAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2O1 223283825 WQRHKCNHERMCBX-QGZVFWFLSA-N 345.464 4.048 0 40 EIAB CCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 223439170 DOEQLPRVRXAWAS-MRXNPFEDSA-N 343.492 4.233 0 40 EIAB Cc1ccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224978021 NBUHQEYMVBXDCO-UHFFFAOYSA-N 345.442 4.400 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225537244 VKDMWMRZNOLDEY-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB CC[C@@H](NC(=S)Nc1cccc(C)c1)c1ccc(OC)c(OC)c1 225717605 QUXAGGMZDMEBGD-MRXNPFEDSA-N 344.480 4.450 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2C)cc1OC 225752911 KLKNVXJSMAUYIK-CYBMUJFWSA-N 330.453 4.060 0 40 EIAB O=C(CSCc1ccccc1Cl)NCCSC1CCCC1 225760447 DZVJCIDGOYJLEJ-UHFFFAOYSA-N 343.945 4.365 0 40 EIAB CCCCOc1ncc(NC(=O)C2(OCCC)CCCC2)cc1C 225909245 BTDFZGGDEYZPPL-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CCCCOc1ccc(C(=O)Nc2c(Cl)cc(N)cc2OC)cc1 227147246 ZHFSIPDNAIRFJL-UHFFFAOYSA-N 348.830 4.362 0 40 EIAB c1csc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@]34C2)c1 253588853 VZCGSGGZCDERBK-LESCRADOSA-N 330.522 4.221 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(C)ccc2C)CC1 408709354 REDSUJXMBUDDSH-UHFFFAOYSA-N 344.499 4.353 0 40 EIAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 504740751 LLNKLMHYWLHSOA-KZNAEPCWSA-N 327.355 4.124 0 40 EIAB CC(C)[C@H]1N(C(=O)c2cnn(-c3ccccc3)c2C(F)F)CC1(C)C 615240550 UYPRKMXLHPCFPG-MRXNPFEDSA-N 347.409 4.317 0 40 EIAB CC(=O)O[C@@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl 164088 LLWNYVYENGFZJG-VIFPVBQESA-N 346.435 4.424 0 40 EIAB CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@](C)(O)CC1(C)C 225615 OIFCIQXNZMBGTG-HNNXBMFYSA-N 331.243 4.133 0 40 EIAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1 498715 BYVDETHOUDLZRD-UHFFFAOYSA-N 344.374 4.259 0 40 EIAB Cn1c(Cc2ccccc2)nnc1SCc1c(F)cccc1Cl 976233 DBFWVYFXFUDNRN-UHFFFAOYSA-N 347.846 4.491 0 40 EIAB O=C(c1ccccc1F)N1N=C(c2ccccc2)C[C@H]1c1ccco1 1253478 TWBHYTZBZXUXGD-SFHVURJKSA-N 334.350 4.410 0 40 EIAB COc1ccc(NC(=O)c2[nH]c3cc(OC)ccc3c2Cl)cc1 1279385 SMHPKERIXOOMEP-UHFFFAOYSA-N 330.771 4.091 0 40 EIAB C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 2623358 XZVUTDJBSGTCBG-LLVKDONJSA-N 345.855 4.186 0 40 EIAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#CCl 3843591 SCKRQJZQWRFQPI-VQGLPFKNSA-N 348.914 4.241 0 40 EIAB COc1cccc(-c2nc(-c3cc4cccc(C)c4nc3OC)no2)c1 4383818 WSFJKGJDXUTAFM-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB CCc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1 4491858 UROVDZPMWWQYQT-FGYAAKKASA-N 335.447 4.265 0 40 EIAB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 5588126 LHZREYCNFIRILL-UHFFFAOYSA-N 334.375 4.045 0 40 EIAB COc1ccc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)cc1 6084204 LJCUPVQPSAYEQZ-UHFFFAOYSA-N 340.448 4.094 0 40 EIAB COc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1 6810661 RUISVJONZZKPJN-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB Cc1occc1-c1nnc(SCc2nc(-c3ccsc3)no2)o1 7168331 JJHWOJOXLCPQMT-UHFFFAOYSA-N 346.393 4.042 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1cccc(C)c1 8040595 LZMQDUBWBWBMSQ-LJQANCHMSA-N 343.492 4.202 0 40 EIAB COc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(F)cc2)cc1 8691733 UFIPVOLNUYINIV-INIZCTEOSA-N 348.468 4.279 0 40 EIAB Cc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1 8969561 HFRAQUQLSKDGPJ-UHFFFAOYSA-N 331.379 4.227 0 40 EIAB Cc1nc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3)cc2s1 10556515 PZGNKJWNIWQHBP-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB O=C(Nc1nnc([C@@H]2CCCO2)o1)c1sc2ccccc2c1Cl 10970666 MGEOIJKKCJQCJR-VIFPVBQESA-N 349.799 4.042 0 40 EIAB OCC1CCC2(CC1)CN(Cc1ccsc1)Cc1ccccc1O2 12408064 FOCZHKSDORYTGF-UHFFFAOYSA-N 343.492 4.064 0 40 EIAB C[C@H](Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1)C(=O)O 12863153 AMASOMUMKBLQNJ-QMMMGPOBSA-N 328.151 4.033 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCc3ccccc32)cc1OC 12910557 QGARTGDVLKWJQF-INIZCTEOSA-N 345.826 4.165 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1Cl 12917678 PQDJRKFGDPFCTC-LLVKDONJSA-N 344.263 4.174 0 40 EIAB O=C(COC(=O)C1(c2ccccc2)CCC1)c1c[nH]c2ccccc12 16376372 JMKLWSRJBGCMET-UHFFFAOYSA-N 333.387 4.016 0 40 EIAB Clc1ccc(-c2nn(C3CCNCC3)cc2-c2ccncc2)cc1 19717941 XHBAUKGYNOORKC-UHFFFAOYSA-N 338.842 4.190 0 40 EIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(C(C)C)cc1 20137610 SHAINOSVMURIAM-UHFFFAOYSA-N 347.798 4.423 0 40 EIAB CCOC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 20895243 OQHDGEHDAQHGQI-UHFFFAOYSA-N 348.786 4.169 0 40 EIAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)Nc1cccnc1 23136650 UUHYBDXMCACMAM-UHFFFAOYSA-N 344.827 4.116 0 40 EIAB O=C(c1ccc(F)cc1Cl)N1CCC([C@H](O)c2ccccc2)CC1 23384487 GMCXIRCEIITKPN-GOSISDBHSA-N 347.817 4.065 0 40 EIAB Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)o1 24033227 BBSSIWXBQVEBNK-UHFFFAOYSA-N 340.404 4.463 0 40 EIAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 24584759 WTUMSBIGZZWXJT-CYBMUJFWSA-N 343.477 4.347 0 40 EIAB CC(C)Cc1noc(CSc2nnc(Nc3ccccc3)s2)n1 25045851 FUGJJGQZUGWKII-UHFFFAOYSA-N 347.469 4.156 0 40 EIAB Cc1ccc(-c2nc(COC(=O)c3cc(Cl)c[nH]3)cs2)cc1 25197735 FPWJZTJLHLAIEV-UHFFFAOYSA-N 332.812 4.457 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCSc2ccccc21 32339697 DUQGQRIRIULQDW-LJQANCHMSA-N 348.471 4.373 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCCC2)nc1 38894462 IQVLFRFDYPVOII-UHFFFAOYSA-N 346.434 4.263 0 40 EIAB CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 39975683 CKDZPWFURBHNIT-SECBINFHSA-N 337.794 4.476 0 40 EIAB CCCCC[C@H](C)NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 40107338 DFFLGGSEWGACLJ-HNNXBMFYSA-N 327.472 4.117 0 40 EIAB Cc1ccccc1-c1nc([C@H](C)N2C(=O)c3ccccc3C2=O)cs1 41195304 WBIIVOYXAYLSMN-ZDUSSCGKSA-N 348.427 4.476 0 40 EIAB O=C(c1ccc(SCc2ccccc2Cl)nc1)N1CCCC1 42760561 VYPDBYHSYOLOJE-UHFFFAOYSA-N 332.856 4.263 0 40 EIAB CCc1ccc(OCC(=O)Nc2cc(F)cc(N3CCCC3)c2)cc1 58202069 VBDSTHRFLLGLQS-UHFFFAOYSA-N 342.414 4.006 0 40 EIAB O=C(CSc1nc2ccccc2o1)Nc1cccc2cccnc12 69211008 RDUDVCFDRZOEAD-UHFFFAOYSA-N 335.388 4.107 0 40 EIAB CN(Cc1cccc(O)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 69561040 PBSJEVMSPDVILC-INIZCTEOSA-N 337.341 4.087 0 40 EIAB Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccn2)n1 69696719 FGIGYCAQVUYYEN-KRWDZBQOSA-N 331.419 4.189 0 40 EIAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(NC2CCCC2)nc1 72213966 SSXXUBPHTGLZLR-IBGZPJMESA-N 335.451 4.413 0 40 EIAB COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2nc(C)cs2)cc1 72271460 TXDBEYKKWRXSBO-PBHICJAKSA-N 344.480 4.317 0 40 EIAB Cc1ccccc1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1 72359643 XQUHNJKDXFHUKH-UHFFFAOYSA-N 349.478 4.348 0 40 EIAB C[C@@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccccc2F)n1 75123978 YAKJICCGCJBCDM-LBPRGKRZSA-N 341.411 4.177 0 40 EIAB CN1CCC(CCNC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 78578773 TYQPHDNJXPXTHG-RELWKKBWSA-N 348.490 4.075 0 40 EIAB c1ccc(-n2cc(CCNCc3ccc4ccccc4c3)cn2)cc1 84573032 IYGZDHFHQHBVHU-UHFFFAOYSA-N 327.431 4.358 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2cc(Cl)cc(Cl)c2)no1 89262867 AQOKBTXEGFNKRK-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB O=Cc1cccc(OCc2nc(-c3ccccc3C(F)(F)F)no2)c1 89262909 PZEPWDSGROKMMW-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB CC[C@](CNC(=O)Nc1ccccc1Cl)(OC)c1ccccc1 96123823 NBDSWRGQKSKUIP-GOSISDBHSA-N 332.831 4.413 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(Cl)c(Cl)c1 100189148 QMOOQOPCUWJKBH-SJCJKPOMSA-N 334.250 4.354 0 40 EIAB CCOC(=O)c1cccc(N/C=C2\SC(=O)c3ccccc32)c1 100210482 ABAWIBMGISYXMO-WJDWOHSUSA-N 325.389 4.161 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108907065 KVDPCLPTKHATSA-ULQDDVLXSA-N 346.902 4.123 0 40 EIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222858919 ZJCFISJJUORPEJ-KBPBESRZSA-N 337.901 4.179 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC)cc2OC)cc1 222872875 SWZSFQFZYZQPCI-GOSISDBHSA-N 343.423 4.062 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223443816 ZQAQKFKEELMJKG-IRXDYDNUSA-N 341.451 4.265 0 40 EIAB COc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223735235 YUFGGVOKVLWLBA-UHFFFAOYSA-N 341.451 4.110 0 40 EIAB Cc1ccccc1COC(=O)c1snnc1-c1ccc(F)cc1 223843377 MODJSPNGLYSDJF-UHFFFAOYSA-N 328.368 4.010 0 40 EIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 224324724 HSDCDYSHIYNBSO-RBUKOAKNSA-N 348.475 4.149 0 40 EIAB CC1(C)C[C@H](NC(=O)Cc2ccccc2Cl)c2ccccc2O1 225439423 WUVYFCSNEPKBBX-INIZCTEOSA-N 329.827 4.301 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)c(C)c1 225459006 LLGCXXTXZQQVKN-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CO[C@](C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 225642911 PFVUOLKBMAXAGX-FQEVSTJZSA-N 325.408 4.019 0 40 EIAB Cc1nc(C2CC2)ncc1C(=O)NC(c1ccccc1)c1ccccc1 225792202 IPYHHKXUECCLNE-UHFFFAOYSA-N 343.430 4.182 0 40 EIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)COCc1ccccc1 390829144 CZDRQEVAGJNJOD-QGZVFWFLSA-N 335.513 4.116 0 40 EIAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(C(C)C)C1=O 409098784 PKWYRVRQKRUSCV-JYRVWZFOSA-N 325.817 4.183 0 40 EIAB COc1cccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)c1OC 409190266 RAYIDZQDMGXTTH-ZMYBRWDISA-N 325.408 4.338 0 40 EIAB CC(=O)c1cc(C(=O)N[C@H]2CCCCc3ccccc32)c(C)nc1C 548599542 VJWGUERQYJJXCC-FQEVSTJZSA-N 336.435 4.099 0 40 EIAB Clc1ccc(C[C@@H](NCCC[C@@H]2CCOC2)c2ccccn2)cc1 645853104 RXCWBEZHSXPYNI-YLJYHZDGSA-N 344.886 4.425 0 40 EIAB OC1(c2nc(Cc3ccc(Cl)c4cccnc34)no2)CCCCC1 1616035135 RRBXHMLHEQVFJK-UHFFFAOYSA-N 343.814 4.014 0 40 EIAB Cc1nc2ccccc2n1C1CN(Cc2ccc(OC(F)F)cc2)C1 1775974385 PNASASNCCSKSQC-UHFFFAOYSA-N 343.377 4.003 0 40 EIAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1C 1006182 QPLQPLGOQGHFDI-LFIBNONCSA-N 325.389 4.245 0 40 EIAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2OCC(C)C)c(C)c1 1401767 BRZXTJCIVUNJNF-UHFFFAOYSA-N 347.480 4.183 0 40 EIAB O=C(O)CCCCCNc1nc(-c2ccccc2)nc2ccccc12 1745089 GLBNRUWVLJZISA-UHFFFAOYSA-N 335.407 4.354 0 40 EIAB Fc1ccc(C2=C[C@H](c3c(F)cccc3Cl)N3N=NNC3=N2)cc1 1832227 DOVJBAIGNFCOAK-CQSZACIVSA-N 345.740 4.257 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)NCc2cccc(Cl)c2)cc1 2630694 SQROHIALXARYBV-UHFFFAOYSA-N 345.826 4.018 0 40 EIAB COc1ccc([C@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@H]32)cc1 3905312 OEQNJRVAURILHT-QFBILLFUSA-N 331.419 4.096 0 40 EIAB CC(=O)CSc1nnc2c3ccccc3nc(C3CCCCC3)n12 4898262 CIGZMPWUXWYHTD-UHFFFAOYSA-N 340.452 4.006 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3s2)c1 5243965 UPXAVZVCGDQHQS-UHFFFAOYSA-N 325.389 4.249 0 40 EIAB CCn1cc(NC(=O)NCc2c(F)cccc2F)c2ccccc21 5266090 URXDMSDWZDBXIB-UHFFFAOYSA-N 329.350 4.261 0 40 EIAB COc1ccccc1C(=O)Nc1nc2c(SC)cccc2s1 5299260 IQNQFXQPAUXWQA-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(-n2cccc2)cc1 5702776 CRCSXXUMMWPOOO-UHFFFAOYSA-N 349.386 4.046 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1C 5974796 VIDRXLWXUWJGHE-UHFFFAOYSA-N 342.483 4.170 0 40 EIAB Cc1ccccc1COC(=O)c1ccccc1NC(=O)c1ccco1 5987770 NBDNWEOCYZAAGA-UHFFFAOYSA-N 335.359 4.197 0 40 EIAB Cc1ccc(SCC(=O)NCCSCc2cccc(C)c2)cc1 6031380 SBLDBWAVBQFEIC-UHFFFAOYSA-N 345.533 4.445 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 6302619 YGDPHUAUWRDOTM-UHFFFAOYSA-N 349.434 4.240 0 40 EIAB O=C(CCCC1CCCCC1)NCc1ccc(N2CCCC2=O)cc1 7491066 JOFGLEMRMWWFLL-UHFFFAOYSA-N 342.483 4.180 0 40 EIAB Cc1ccsc1CN(C)C(=O)/C=C/c1cc(C)n(C2CC2)c1C 7642312 QSICGHCXYFCGIY-VMPITWQZSA-N 328.481 4.482 0 40 EIAB COc1ccc(CN(C)C(=O)CSCc2cccc(Cl)c2)cc1 7871776 GUWXQXNIZUWKOR-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 8174023 YVRROENSQYYEHB-UHFFFAOYSA-N 335.451 4.154 0 40 EIAB O=C(OCc1nc2ccccc2o1)C1(c2ccc(Cl)cc2)CC1 8311923 XMCLNUKEHJWADJ-UHFFFAOYSA-N 327.767 4.256 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC2)c(C)c1 8343862 FIWNEDVZABOEOB-UHFFFAOYSA-N 331.419 4.002 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(Cl)c2c(c1)OCO2 8754816 KWBMLPCCLWBVJL-CYBMUJFWSA-N 347.823 4.036 0 40 EIAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 9586158 HBCDTVYTWKGRNY-MRXNPFEDSA-N 340.467 4.278 0 40 EIAB Cc1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1Cl 10119514 OGFOYBNIMYSKQI-UHFFFAOYSA-N 339.222 4.493 0 40 EIAB CCOc1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1 11866461 UQJIOMSYFRGBQS-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB biogenic O=C(O)Cc1csc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 11951240 GCGSUBBXXDPLAA-UHFFFAOYSA-N 329.352 4.369 0 40 EIAB O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1cccnc1 12389242 AUMXWPUQZUPTGZ-UHFFFAOYSA-N 342.354 4.311 0 40 EIAB biogenic O=C([C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1)N1CCCC1 12590991 DJDFSMWWCXXUSB-KRWDZBQOSA-N 337.448 4.019 0 40 EIAB CCNC(=O)c1cccnc1Sc1cccc(C(F)(F)F)c1 12755858 IDXKJPLTWOOMFK-UHFFFAOYSA-N 326.343 4.001 0 40 EIAB CCCCCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 16032552 PHXAHNHFSUYNBQ-GHTZIAJQSA-N 345.483 4.023 0 40 EIAB biogenic COc1ccccc1CCNC(=O)c1oc2ccc(Cl)cc2c1C 16494739 FEPDQJMYCOHQAO-UHFFFAOYSA-N 343.810 4.376 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 17045683 AQPDFYSIAXHWRK-UHFFFAOYSA-N 347.484 4.399 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 17297673 CYNMKEUKTCCHQY-GFCCVEGCSA-N 338.234 4.120 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)cc1 18004219 LUEJYTDGICNSBD-ZDUSSCGKSA-N 325.437 4.299 0 40 EIAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1N[C@H](C)CCc1ccccc1 19907713 PILDCWFKZJVIIB-DYESRHJHSA-N 340.511 4.436 0 40 EIAB CCCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 20136719 DNUBDHQRNVFYIB-UHFFFAOYSA-N 331.412 4.356 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccccc1 20457352 HZIRNDDJEZNOBU-HXUWFJFHSA-N 333.431 4.356 0 40 EIAB CCNCc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 24081555 RTFGFQVLYLJIJU-UHFFFAOYSA-N 331.419 4.454 0 40 EIAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nnc(-c2ccccc2)o1 24250373 ITWMBWHCCASCCZ-LBPRGKRZSA-N 329.350 4.208 0 40 EIAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccnc(Cl)c2)cc1 25386568 IXXAZDDZGOKVFX-MRXNPFEDSA-N 330.815 4.111 0 40 EIAB CCC[C@H](C(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccc1 25562307 JUSYZCSBLWQLDA-IRXDYDNUSA-N 330.497 4.051 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)/C=C/c2cccc(F)c2)n1 31543735 QTBXFJAVRKUONC-ZHACJKMWSA-N 335.382 4.280 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc2ncccc12 31689263 KRJHUEDTKHYFHU-CQSZACIVSA-N 332.403 4.130 0 40 EIAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccc(F)cc2)C1 36359327 WBZCMPIAXNWLQM-ZDUSSCGKSA-N 331.416 4.396 0 40 EIAB Cc1cnc(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 45403278 ZFHPQXJXTJVGSO-LBPRGKRZSA-N 349.356 4.170 0 40 EIAB COc1ccc2cccc(NC(=O)c3c(F)cccc3Cl)c2n1 49027922 AOQSDGYJHCUIGJ-UHFFFAOYSA-N 330.746 4.288 0 40 EIAB C[C@H](c1ccco1)N(C(=O)Cc1coc(-c2ccccc2)n1)C1CC1 56183167 GZSCUAVFJFHUKR-CQSZACIVSA-N 336.391 4.229 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1F 56205750 FMUUHOPACSDRMU-LLVKDONJSA-N 336.794 4.317 0 40 EIAB CC[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57553894 XCIZRECISWQTFH-OALUTQOASA-N 342.870 4.401 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCCO[C@H]3CCCC[C@@H]3C)cc2c1 58390684 UYUVUXHOCUNYKZ-YWZLYKJASA-N 340.467 4.177 0 40 EIAB CC[C@H](C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 71909320 HQHOZSKAEILDHA-NPMXOYFQSA-N 329.465 4.120 0 40 EIAB CCSc1cccc(NC(=O)N2CCC(NC3CCCC3)CC2)c1 71911870 MEUHWERZBXKNFN-UHFFFAOYSA-N 347.528 4.327 0 40 EIAB CC[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cnn(CC)c1 72305858 JMFIGWCYKPWGQW-AWEZNQCLSA-N 340.349 4.195 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1c(F)cccc1Cl 72331818 KCEKVLSLUXXEPE-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB CC[C@@H](NC(=O)c1ccc(C)nc1C)c1nc(C(F)(F)F)cs1 73279471 VLDFGAQDYFWYJR-LLVKDONJSA-N 343.374 4.055 0 40 EIAB OCCCN(Cc1ccc(Cl)c2cccnc12)c1ccccc1 75106319 ACMJKALCYJVKLX-UHFFFAOYSA-N 326.827 4.277 0 40 EIAB CC[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccccc1 76042359 QYAHRPXWVXPDNR-SFHVURJKSA-N 333.391 4.401 0 40 EIAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(F)cc2cccnc12 95453231 MRAGGXUVOHBJHP-UHFFFAOYSA-N 332.281 4.228 0 40 EIAB CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 95945361 KUWRCJSXWBWPDI-CABCVRRESA-N 344.484 4.263 0 40 EIAB CCCCN(C)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96037620 JUAPIPPEDXVWFC-UHFFFAOYSA-N 348.450 4.021 0 40 EIAB Cc1cc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)n(C)n1 96182536 HRMLETPQNLYBHN-UHFFFAOYSA-N 331.759 4.020 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)NCc1cc(Cl)ccc1OC 96415242 LXGJJDJPBNORBU-MRXNPFEDSA-N 347.846 4.036 0 40 EIAB Cc1nccn1-c1ccc([C@@H](C)NCc2ncc(C(C)(C)C)o2)cc1 97033728 PLLZWPYEZQEIFV-CQSZACIVSA-N 338.455 4.317 0 40 EIAB COc1ccnc(N[C@H](C)c2sc(-c3cccnc3)nc2C)c1 97038796 QKVIEWATRIOBRO-LLVKDONJSA-N 326.425 4.090 0 40 EIAB COc1ccc([C@@H]2OC3=Nc4cc(Cl)ccc4NC3=C2O)cc1 103917029 ZJXAGWNZUXLWJX-INIZCTEOSA-N 328.755 4.345 0 40 EIAB CCCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 107799855 DRJCYWUBIFGEQC-HZPDHXFCSA-N 340.467 4.414 0 40 EIAB C[C@@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@@H](c2ccco2)C1 158424869 AOWQDWXCEBXKBY-RKDXNWHRSA-N 342.371 4.074 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)COc1ccccc1C 219313290 HTJZPKLLHAQZLZ-MSOLQXFVSA-N 341.451 4.045 0 40 EIAB Cc1cc(C(=O)N(C)c2ccccn2)cc(Cl)c1Br 225449413 HWJAWJNLKKANTQ-UHFFFAOYSA-N 339.620 4.083 0 40 EIAB CCCOc1ccccc1CCCNC(=O)c1ccc(C)cc1C 225588490 DTFKCENFSDKEFA-UHFFFAOYSA-N 325.452 4.455 0 40 EIAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N[C@H]1CCCc2sccc21 245304969 HIPXPRGUIYLXAL-MNEFBYGVSA-N 341.524 4.021 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)o1 408529392 JLDBLUDINRHKQQ-UHFFFAOYSA-N 330.796 4.251 0 40 EIAB COc1cccc(CN2CCC(COc3ccncc3Cl)CC2)c1 1889136095 HBJHTTPOURAJRX-UHFFFAOYSA-N 346.858 4.035 0 40 EIAB O=C(CCC1CCCC1)Nc1nnc(COc2ccccc2F)s1 416603 VNLVYIULSIHKFG-UHFFFAOYSA-N 349.431 4.165 0 40 EIAB O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1377487 ZXAVIVIOAORLJP-IAGOWNOFSA-N 333.863 4.009 0 40 EIAB C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C 1666393 QFUXQRHAJWXPGP-JARDSOJUSA-N 340.375 4.229 0 40 EIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1 2654303 CPRJMXFKVFNOLO-INIZCTEOSA-N 331.415 4.192 0 40 EIAB CC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 3288030 LFVGIXBPHSDWCT-LBPRGKRZSA-N 347.208 4.302 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1 3422975 LDLHBNKUMNVJLZ-UHFFFAOYSA-N 339.435 4.422 0 40 EIAB COc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 3770805 ZLJUZSKQHJKXHW-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CCOC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 4281445 OXIRUOTUZBKLHX-UHFFFAOYSA-N 329.421 4.056 0 40 EIAB COc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1 4355802 OCIJFLMANKATAR-UHFFFAOYSA-N 342.445 4.189 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 4707398 LJTVDKLYXVVTDU-UHFFFAOYSA-N 346.430 4.252 0 40 EIAB C[C@H]1CCCN(CCOC(=O)c2ccc(Cl)cc2Cl)CC1 4791888 QMIALDKBKMPFPV-LBPRGKRZSA-N 330.255 4.272 0 40 EIAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887759 HUINMZVYBSWLCT-YSIASYRMSA-N 336.431 4.485 0 40 EIAB O=C(NC1(c2cccc(F)c2)CCCC1)c1ccc2nsnc2c1 5007259 NWMHEEHJBQWFNK-UHFFFAOYSA-N 341.411 4.030 0 40 EIAB c1ccc(-c2nn(-c3ccccc3)nc2-c2nc3ccccc3[nH]2)cc1 5072597 ALUCCZGARADLTB-UHFFFAOYSA-N 337.386 4.478 0 40 EIAB CCOc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1C 5199926 HUHZSSHASXNSDL-UHFFFAOYSA-N 334.419 4.432 0 40 EIAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1 5579507 GQRDUZAZTHUVKA-UHFFFAOYSA-N 343.835 4.393 0 40 EIAB CCCCCC(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 5978061 SZWSZBVJFKLXDW-UHFFFAOYSA-N 335.256 4.092 0 40 EIAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc[nH]3)s2)c1C 6268180 SUVQJYJRGMHUHM-UHFFFAOYSA-N 344.465 4.202 0 40 EIAB COc1ccc(CN(C2CC2)[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 7662269 AHRACTHGAOYJCC-OAHLLOKOSA-N 348.446 4.412 0 40 EIAB O=C(NCCOc1ccccc1)c1ccc(OCc2ccccc2)cc1 8402023 WVAYATZFIXLGDX-UHFFFAOYSA-N 347.414 4.074 0 40 EIAB CCc1cccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1 8705484 UXKBTTIQPLGABW-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB COc1cccc(Oc2nc(-c3cccnc3)nc3ccccc23)c1 9448024 KXEBQHJEJDUPCS-UHFFFAOYSA-N 329.359 4.493 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1c[nH]c(=S)n1-c1ccccc1 10323182 DWYWRWZZWIMDCM-UHFFFAOYSA-N 331.347 4.065 0 40 EIAB O=S(=O)(Cc1cccc(Cl)c1)NCCC1CCCCCC1 10543530 CGIZYIWUCMZNLB-UHFFFAOYSA-N 329.893 4.120 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10544465 GDVCSWZWABDCCT-MRXNPFEDSA-N 333.435 4.200 0 40 EIAB CC(C)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 11923295 NOSDJJYJSZHJBU-UHFFFAOYSA-N 339.464 4.046 0 40 EIAB O=C(NCc1cc(-c2cccs2)on1)c1ccc2ccccc2c1 12235799 ITZMCMRSTRZUBX-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSC(C)(C)C 13709175 QFMSUHAQZQBTGF-AWEZNQCLSA-N 331.481 4.255 0 40 EIAB CCn1c(SCc2cccc(Br)c2)nnc1C(C)C 13995690 HTTBVYRZEOQHGY-UHFFFAOYSA-N 340.290 4.476 0 40 EIAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12 14058223 SNCKCDLLJGBEPJ-NSHDSACASA-N 343.814 4.491 0 40 EIAB O=C(CSc1nc2ccccc2o1)N1CCC[C@@H]1c1cccs1 14171924 ZJTOJALFMXCRQA-CYBMUJFWSA-N 344.461 4.345 0 40 EIAB Cc1ccc(F)cc1NC(=O)CCC(=O)c1ccc(Cl)s1 15592078 OSXNTFSMXDURBZ-UHFFFAOYSA-N 325.792 4.451 0 40 EIAB Cc1ccc(C2(CNC(=O)c3ccc(C)cc3C)CCOCC2)cc1 16970703 BJRMWOURTLEOCV-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB COc1ccccc1CN[C@@H](Cc1ccsc1)c1nccs1 19570850 JRPAOHFUDHGRBX-HNNXBMFYSA-N 330.478 4.287 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1 20105298 FMAPHGFPFGFYTI-KRWDZBQOSA-N 325.452 4.326 0 40 EIAB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(OC)cc1 20486908 PQNGJXZHQQMVFI-MRXNPFEDSA-N 348.240 4.339 0 40 EIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C 22540292 CORPNNNJNZTUPY-CQSZACIVSA-N 337.872 4.305 0 40 EIAB O=C(NC1CC1)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 24990670 ORAUMGVSMBKSDJ-UHFFFAOYSA-N 330.387 4.433 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2ncc3ccccn23)c(C)c1 26372599 CQACLAGNADHSGN-HNNXBMFYSA-N 339.464 4.379 0 40 EIAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccccc1)O2)CCC3 30819473 TYTVOLAJYUHKBH-KRWDZBQOSA-N 346.382 4.297 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(C)C)cc1 30869515 QQBRSRKFKGNEJW-GOSISDBHSA-N 331.387 4.409 0 40 EIAB O=C(COc1ccc(F)cc1F)Nc1nc(-c2ccccc2)cs1 31712720 JSKIRARHFKBPAH-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB Cc1ccc(-c2cc(CSc3nnc(-c4ccc[nH]4)o3)on2)cc1 32329327 YQMJOAHNAUEPLR-UHFFFAOYSA-N 338.392 4.320 0 40 EIAB Cc1ccnn1-c1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 32744460 UFPOBORGKUCTKS-OAQYLSRUSA-N 345.446 4.330 0 40 EIAB Cc1cc2cc(NC(=O)c3ccccc3Br)ccc2[nH]1 32818523 JXESYYISHZEYQI-UHFFFAOYSA-N 329.197 4.491 0 40 EIAB CN(C(=O)CSc1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 32905656 AKLDLFBDHWLTPS-QGZVFWFLSA-N 333.403 4.203 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(OC)cc1 38755994 QYJLMKJYUVGCNZ-VQIMIIECSA-N 341.451 4.347 0 40 EIAB Cc1cc(OS(=O)(=O)c2ccc(Cl)c(C)c2)c2ccccc2n1 41097181 VTTPIKUDNPHFHY-UHFFFAOYSA-N 347.823 4.273 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 44041259 VISWITWHZXECEO-ZDUSSCGKSA-N 346.386 4.108 0 40 EIAB Cc1cc2c(cc1C(=O)Nc1cccc(Cl)c1C)OCCCO2 46077751 HTDXAYRQTXVJPU-UHFFFAOYSA-N 331.799 4.370 0 40 EIAB Cc1c(C(=O)Nc2ccccc2-n2cccn2)oc2c(F)cccc12 47973957 RECNMDRJIOJVJM-UHFFFAOYSA-N 335.338 4.318 0 40 EIAB CC(C)OCc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 48324594 SXLMSYZMEIVUCZ-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB Cc1cc(C)c(C(=O)CCCC(=O)N[C@H](C)c2ccccn2)c(C)c1 54000379 AMWXIHPXRILWRX-QGZVFWFLSA-N 338.451 4.237 0 40 EIAB CC1(C)CC[C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc21 58412910 AWNQKCLQEWVYRG-BBRMVZONSA-N 326.267 4.499 0 40 EIAB O=C(NCc1cc2ccccc2[nH]1)c1cccnc1Oc1ccccc1 58434034 TZRFUUOJAULCCB-UHFFFAOYSA-N 343.386 4.285 0 40 EIAB CCOc1ccc(-n2c(C)nnc2SCc2ccccc2)cc1 60296347 HHTDNYWPUAONHW-UHFFFAOYSA-N 325.437 4.267 0 40 EIAB OCc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 62703357 SFHBPKOTNOEXPR-UHFFFAOYSA-N 345.595 4.313 0 40 EIAB COc1ccc(-c2csc(C[C@@H](C)n3cc(Cl)cn3)n2)cc1 66938745 GYMMWEYZDPFXGE-LLVKDONJSA-N 333.844 4.472 0 40 EIAB Fc1ccc([C@H](NCc2nnc(-c3ccco3)o2)C2CCC2)cc1 69709893 GNIMELCEHUTLKM-QGZVFWFLSA-N 327.359 4.100 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 75106624 UBTPKXWOYIAHBL-GJZGRUSLSA-N 335.856 4.130 0 40 EIAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)c(C)o1 75602436 AMRCOYDTRVKAHQ-IAQYHMDHSA-N 349.862 4.059 0 40 EIAB CN(C)c1ccc(NC(=O)c2cccnc2SC2CCCC2)cc1 77529141 PXCHLCSUKBGWPM-UHFFFAOYSA-N 341.480 4.435 0 40 EIAB C[C@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@H]1c1cccs1 83888729 XNCGDRCCWPSQQK-HOCLYGCPSA-N 347.480 4.234 0 40 EIAB COCCS[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 95414722 BABWMMYLCKXCHV-MRVPVSSYSA-N 333.240 4.484 0 40 EIAB Cc1cc([C@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 95421259 TUGFWRNVJDCNSB-KBPBESRZSA-N 328.412 4.265 0 40 EIAB Cc1c(-c2nc(-c3ccccc3)no2)sc2[nH]cnc(=S)c12 95471887 UTFPNIYTIDHGKF-UHFFFAOYSA-N 326.406 4.379 0 40 EIAB CCc1noc(C2CCC(N[C@@H]3C[C@H](C)c4ccccc43)CC2)n1 95996911 DXZNTCNRZUVPMM-FAYHIZQSSA-N 325.456 4.496 0 40 EIAB CCOc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1 100815593 YDVLIEYNTVGQKY-ZPHPHTNESA-N 346.839 4.033 0 40 EIAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1C 102248311 PIXZRVJCZYIGDH-HXUWFJFHSA-N 344.414 4.201 0 40 EIAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102255487 WEMJXRNRNMHQQP-ZJQBRPOHSA-N 342.266 4.313 0 40 EIAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102589685 IDEVMAGTJKNEKJ-MRXNPFEDSA-N 344.365 4.172 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 104269587 PFJIIIZGBHEFKC-DCAQKATOSA-N 337.345 4.347 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1C 113959372 CWJXGKGXIIOPGG-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(Cl)c1 216847118 PMOCPTXLVDAFBS-UHFFFAOYSA-N 326.179 4.144 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCCc2ccccc2Cl)cc1 218983777 MKSZBGOKMGOWJI-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)C1CCCC1 223934995 CBBJBJBDYMKZRE-UHFFFAOYSA-N 341.455 4.183 0 40 EIAB CCCCOCc1cc(C(=O)NCc2ccc(C)cc2)ccc1OC 224434095 DOAHOUDGXMEOJJ-UHFFFAOYSA-N 341.451 4.250 0 40 EIAB Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 225510753 HBJDLJBBKZIBII-UHFFFAOYSA-N 325.452 4.453 0 40 EIAB Cc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1C 226039318 DSENOCAJBRPVKE-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Clc1ccccc1COc1ccc(-c2nn3cnnc3s2)cc1 226298559 VJPNJDINSDACAI-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2c(F)cccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257201365 AHJJGEGEASAXEJ-URCYWZGOSA-N 337.410 4.126 0 40 EIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 257289938 QAWAAYAQVSOSIC-NMZRWAFMSA-N 345.458 4.234 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(F)c2)O[C@@H]2CCCC[C@@H]12 257301176 RXHRCHSQVJCTHD-WBQNTZJQSA-N 325.811 4.004 0 40 EIAB Cc1nn(C(C)C)cc1/C=C(\Cl)c1nc(O)c2cccc(C)c2n1 280889787 CVKGFHNYXXWZAA-NVNXTCNLSA-N 342.830 4.467 0 40 EIAB CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 408816531 UBOQCBMCNOQWBJ-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB CN(C(=O)Nc1ccc(-n2ncc3ccccc32)cc1)C1CCCC1 542381740 IUOWTFKUGRKZGV-UHFFFAOYSA-N 334.423 4.432 0 40 EIAB Cc1ccc(NC(=O)CSCc2cc(C3CC3)no2)cc1Cl 596407388 MQXXXVBXZDAIAB-UHFFFAOYSA-N 336.844 4.386 0 40 EIAB Cc1cc(C(=O)NC[C@@H](C)C2CC2)c2cc(Br)ccc2n1 624894561 FAPZYNGSQYQEJK-SNVBAGLBSA-N 347.256 4.082 0 40 EIAB Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Br 1565504691 QWQYSIUBPMZUGZ-UHFFFAOYSA-N 331.229 4.454 0 40 EIAB O=C(O)CSc1nc(SCc2ccccc2)nc2ccccc12 34079 HLDLEGJNNPTFKH-UHFFFAOYSA-N 342.445 4.099 0 40 EIAB c1ccc2[nH]c(CSc3nnc4sc5ccccc5n34)nc2c1 56349 XHRZMNFEMFMWCC-UHFFFAOYSA-N 337.433 4.113 0 40 EIAB CC(C)Cn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 200875 FJRBJBCPZLEGLN-MRXNPFEDSA-N 335.451 4.112 0 40 EIAB O=C(c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1 382883 SBTWYXAGKPTURD-UHFFFAOYSA-N 328.415 4.222 0 40 EIAB Cc1cc(O)c(C(=O)CSc2ccccc2)cc1Br 1102002 LMNLISUTAAKBNR-UHFFFAOYSA-N 337.238 4.438 0 40 EIAB Cc1nc(C(F)(F)F)c(-c2ncnn2-c2ccc(Cl)cc2)s1 1397213 OCHGUDGLAKUVKI-UHFFFAOYSA-N 344.749 4.371 0 40 EIAB Cc1cc(C)n(-c2nc(-c3sccc3Br)cs2)n1 1403932 SSGIGGSFXXGJMI-UHFFFAOYSA-N 340.271 4.437 0 40 EIAB Cc1ccsc1CNc1ccc(I)cc1 1427408 MATDBCKEDGMTSH-UHFFFAOYSA-N 329.206 4.273 0 40 EIAB O=S(=O)(C/C=C/COc1ccccc1)c1ccc2ccccc2c1 1578925 WXOUYGYLFOIWGF-VOTSOKGWSA-N 338.428 4.249 0 40 EIAB O=C(O)c1ccc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 1689963 SJDOHUKHIUOQHN-UHFFFAOYSA-N 336.178 4.180 0 40 EIAB CCCCOCCCNc1ncnc2c1[nH]c1ccc(OCC)cc12 2430315 OHHBHELKXMBPBH-UHFFFAOYSA-N 342.443 4.129 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 2430825 CNCGWUYBGRICLE-UHFFFAOYSA-N 337.448 4.074 0 40 EIAB COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2F)cc1 3611892 XKCGIHXZHUUEEM-UHFFFAOYSA-N 337.778 4.285 0 40 EIAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 5079538 HIDQHAGNLNOTFI-UHFFFAOYSA-N 349.430 4.177 0 40 EIAB CC[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)OC)c1ccccc1 5476833 XZAVKDZCYZDJQW-CQSZACIVSA-N 331.437 4.284 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(C3SCCS3)cc2)c1 5584266 OBJBJDXSXZFCAX-UHFFFAOYSA-N 345.489 4.491 0 40 EIAB COc1cccc(NC2=NN=C(c3ccc(Cl)cc3)CS2)c1 5897696 UJMRWPCZIVUDBI-UHFFFAOYSA-N 331.828 4.268 0 40 EIAB COc1ccc(C(=O)O)cc1NC(=O)Nc1cccc2ccccc12 6170656 PBRUJZZIPQGJEM-UHFFFAOYSA-N 336.347 4.191 0 40 EIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CO)cc1 6626984 KQHRWMOOPNWJKS-UHFFFAOYSA-N 329.705 4.103 0 40 EIAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1cccc(Cl)c1 6656645 JGUKGEDCXRCFTM-VQHVLOKHSA-N 332.783 4.416 0 40 EIAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc(Br)cc1 6994216 OLWWRRMBUMUTAV-UHFFFAOYSA-N 337.242 4.230 0 40 EIAB O=C(Nc1nc2c(s1)CCC2)C(c1ccccc1)c1ccccc1 8184607 PQTRFZFRYBIZOB-UHFFFAOYSA-N 334.444 4.402 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1 8475626 RZMSNMDDROANJB-UHFFFAOYSA-N 347.418 4.050 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccccc1OC 8558476 YQCPVURREDFFCB-MRXNPFEDSA-N 327.424 4.362 0 40 EIAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1ccco1 8724930 JIGBQQXJOZARSG-UHFFFAOYSA-N 327.340 4.047 0 40 EIAB NC(=O)c1ccccc1Oc1nc(-c2ccccc2)nc2ccccc12 8733855 FNKKAQXAHOLZAO-UHFFFAOYSA-N 341.370 4.188 0 40 EIAB O=C(c1cccc(Br)c1)N1CCC[C@H]1c1ccccc1 9894936 NINXJXDNJRATHT-INIZCTEOSA-N 330.225 4.426 0 40 EIAB Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(F)c1 10958558 PGLKGTBJTUJPOD-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)s1 10959026 NTDOOLJDVUTDOJ-OAHLLOKOSA-N 327.453 4.450 0 40 EIAB CCc1nnc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)o1 11692925 BDRDERGFTBWJES-UHFFFAOYSA-N 345.786 4.117 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1C 14399067 XUWMQRNPQGDBTD-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2ccccc2s1 14825871 HXBZJAPCFGZSLF-UHFFFAOYSA-N 348.859 4.363 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCC3)c1 15636492 ZRPXVVNLBCHZGM-UHFFFAOYSA-N 330.453 4.081 0 40 EIAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)o1 15640594 YZVOLGAAFBXMOG-UHFFFAOYSA-N 335.285 4.045 0 40 EIAB CCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 17044976 DQGBRGLEFWKMGB-UHFFFAOYSA-N 334.445 4.314 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 17059009 FEDJNUVNECEMCN-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)c1 22500233 TUFZZWLWUZWNIT-ZIAGYGMSSA-N 345.464 4.062 0 40 EIAB COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(Cl)c1OC 24927290 HYSOUEQIBOYLHW-UHFFFAOYSA-N 346.770 4.059 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccc(F)cc1 29716264 VZVCWHOTAKFGAH-SBHAEUEKSA-N 346.405 4.230 0 40 EIAB C[C@@H](Sc1ncnc2sccc12)c1nc(-c2ccco2)no1 29738662 WZKOUHMYYNZULT-MRVPVSSYSA-N 330.394 4.188 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 30840588 CJVRIUAJBJOLPT-JXFKEZNVSA-N 339.435 4.135 0 40 EIAB CC1(C)CCC[C@@]2(C)[C@H]1C[C@H]1O[C@@]1(C)[C@]21CC[C@](C)(CC(=O)O)O1 31158326 CMOXPNCOCAKUIY-FZWZIKIHSA-N 336.472 4.163 0 40 EIAB biogenic,in-vitro Cc1ccc(-c2nc(CSc3nnc4ccccn34)cs2)o1 32324238 WQIJFQAZJVUOCF-UHFFFAOYSA-N 328.422 4.047 0 40 EIAB COc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 32593466 IXACPQWZPVRTAH-CQSZACIVSA-N 348.446 4.231 0 40 EIAB CC(=O)c1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1 32800923 KNXKHWNQJLNCLT-UHFFFAOYSA-N 336.416 4.189 0 40 EIAB Cc1nc2cc(NC(=O)Cc3nc(-c4ccccc4)oc3C)ccc2o1 32900375 DDRTYPCHIHDXNV-UHFFFAOYSA-N 347.374 4.281 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)sc2n1 32902004 PIDZQOFQIKMTGG-UHFFFAOYSA-N 329.400 4.316 0 40 EIAB Cc1ccc(CN(C)C(=O)c2csc(Cc3ccccc3)n2)cc1 32914148 NXMAEUOUCSENAV-UHFFFAOYSA-N 336.460 4.315 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)oc2c1C(=O)CCC2 32915791 UXHZPJSEADBLOT-NSHDSACASA-N 331.799 4.251 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1 36359802 KSHCLBOORIAKFM-AWEZNQCLSA-N 343.452 4.266 0 40 EIAB Brc1ccccc1CNc1cccnc1N1CCCC1 36934046 VPBCRNXKMMVJQT-UHFFFAOYSA-N 332.245 4.056 0 40 EIAB COc1ccc([C@@H]2CCN(C(=O)Cc3cccc4ccccc34)C2)cc1 38566608 JOOFTHTZEXKVGI-HXUWFJFHSA-N 345.442 4.407 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2cccc(Br)c2)c1 41703221 JSRWMNAZDMTSOV-UHFFFAOYSA-N 333.185 4.296 0 40 EIAB Cc1nnc(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)s1 49365510 WLTZALVWQYHYGB-UHFFFAOYSA-N 341.402 4.245 0 40 EIAB Cc1nc(NCc2cnn(C)c2)c2c(-c3ccccc3)csc2n1 53583611 WSUGZZMPBMJPMO-UHFFFAOYSA-N 335.436 4.012 0 40 EIAB Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2o1 56255975 JKEBDLINBRXBDG-NEPJUHHUSA-N 326.318 4.443 0 40 EIAB Fc1cccc(C2(c3nnc(-c4ccccc4F)o3)CCOCC2)c1 71889776 IQUVGOGSXUNYFA-UHFFFAOYSA-N 342.345 4.111 0 40 EIAB O=C(OCc1ccccc1F)[C@H]1CCCCN1Cc1ccccc1F 72202914 SIVUFRMHSLSRPC-LJQANCHMSA-N 345.389 4.063 0 40 EIAB O=C(c1cnc[nH]1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 84341441 FDIUHSCOQALIBB-UHFFFAOYSA-N 336.222 4.036 0 40 EIAB Cc1cccc([C@H]2CCCN2Cc2cnc(-c3cccnc3)s2)n1 93445031 AAUBYZITFPRXRQ-GOSISDBHSA-N 336.464 4.246 0 40 EIAB C[C@H]1CCCC[C@H]1OCCNc1nn2cc(C(C)(C)C)nc2s1 95356625 KKISLHSVAZUMFC-QWHCGFSZSA-N 336.505 4.096 0 40 EIAB CSc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ccccn2)o1 95395597 RNXGAJOSWDVYFK-QGZVFWFLSA-N 342.395 4.055 0 40 EIAB COc1ccc([C@H](C)NCC2(c3ccccc3)CC2)cc1NC(C)=O 95419851 COLJQTJHFJLSNB-HNNXBMFYSA-N 338.451 4.036 0 40 EIAB Cc1ccsc1-c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 96346724 YJUROFVFEJFHLX-UHFFFAOYSA-N 349.868 4.410 0 40 EIAB Clc1cccc([C@H]2C=C(c3ccccc3)Nc3nnnn32)c1Cl 101151715 GMVMEMYRTOJXAZ-CQSZACIVSA-N 344.205 4.036 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C 224440807 JQCGXJOUSFPODA-MRXNPFEDSA-N 347.842 4.001 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COC 224685540 MGSDAIKPXCWZHU-UHFFFAOYSA-N 337.778 4.277 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1C 224759193 WPKLMPXKKPFIOR-UHFFFAOYSA-N 343.492 4.365 0 40 EIAB CN(CCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224979695 WRKXOCUUIVZEIZ-UHFFFAOYSA-N 344.458 4.149 0 40 EIAB COC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225449841 GKGYHZYTLVAOPX-UHFFFAOYSA-N 332.403 4.257 0 40 EIAB Nc1ccc(Nc2cc(Cl)cc(Cl)c2)c(C(=O)NC2CC2)c1 225476789 IMKREENEVKNLJF-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cccc(Cl)c1 225799378 XRPUWODHWKRFRP-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1ccc(OC)c(C)c1 225827054 PJISRODRDFLMEQ-SFHVURJKSA-N 341.451 4.267 0 40 EIAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc[nH]c3C3CC3)cc2)n1 252480280 BZHHRIQDLCQTAZ-HNNXBMFYSA-N 348.450 4.186 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(F)F 408544604 VVCRLIOSEWRDQD-UHFFFAOYSA-N 333.363 4.231 0 40 EIAB CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)NC1=S 409077356 DGGZNMINLFMQOS-UVTDQMKNSA-N 346.839 4.068 0 40 EIAB COc1ccccc1-c1ccc([C@H](C)NCCC[C@H](C)CO)cc1 536837175 DJQJEJOYUUNIHK-IRXDYDNUSA-N 327.468 4.421 0 40 EIAB c1ccc([C@H]2CCC[C@H](Nc3nccc(-c4cnccn4)n3)C2)cc1 581291423 KGPBKBHLQDLEDG-IRXDYDNUSA-N 331.423 4.072 0 40 EIAB O=C(c1cc(Cl)ncc1Cl)N1CC2(CCC2)[C@H]1c1cccnc1 585126880 KKTWNUHUKQVCES-OAHLLOKOSA-N 348.233 4.151 0 40 EIAB Cc1cnccc1-c1ccc(C(=O)N2CCC(F)(F)[C@@H](C)C2)s1 1615580520 NMHKFIULDFKRCP-LBPRGKRZSA-N 336.407 4.236 0 40 EIAB CCOc1ccc(/C=C/C(=O)Oc2cccc(C)c2)cc1OCC 147587 NVBONIQOHZAJGN-ZRDIBKRKSA-N 326.392 4.411 0 40 EIAB Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222269 JOJOFTRONHMCLV-JKSUJKDBSA-N 328.778 4.217 0 40 EIAB Clc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)cc1 385269 KGUCDRWQDGRFEA-UHFFFAOYSA-N 340.839 4.021 0 40 EIAB Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2C)cc1 521279 ZFOKFIWEZUUGHG-SFHVURJKSA-N 347.505 4.048 0 40 EIAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2ncccc12 551405 UELWVDUFKVNEPA-UHFFFAOYSA-N 343.169 4.342 0 40 EIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)C1CCCCC1 1377852 HCJAFQFRCUIHKE-QZTJIDSGSA-N 346.540 4.330 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 3136257 POUNJAWBJBMOQB-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB biogenic CC1CCN(C(=O)CSc2nc3cc(Cl)ccc3s2)CC1 3232985 DARMMNJURGFYIS-UHFFFAOYSA-N 340.901 4.300 0 40 EIAB Fc1cccc(Oc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 4355246 RRKGIYKSFXFXFL-UHFFFAOYSA-N 340.745 4.400 0 40 EIAB COc1ccc(CCC(=O)OCC(=O)c2cccc3ccccc23)cc1 4539637 FALGLYPYBNJPNQ-UHFFFAOYSA-N 348.398 4.207 0 40 EIAB O=C(N/C(=C\c1ccco1)c1nc2ccccc2[nH]1)c1cccs1 4812509 QCLHOJMPEZNSLH-PTNGSMBKSA-N 335.388 4.146 0 40 EIAB CCn1cc(NC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 5265947 MCPIHKBYZUETQV-UHFFFAOYSA-N 348.450 4.015 0 40 EIAB CCOc1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C 5464215 RXQCEMUARRSWQN-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB COc1ccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)n2C)cc1 6147871 PBOBNDKAIMURQR-LBPRGKRZSA-N 343.427 4.483 0 40 EIAB CCOc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1 6609580 GYXRMRCRANITFQ-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB CC(C)CCC[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl 6627734 ZVONHDMJJYONDM-NSHDSACASA-N 338.300 4.487 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(C(F)(F)F)c1 8757054 NMEOWBSTXVTGNQ-UHFFFAOYSA-N 336.313 4.225 0 40 EIAB O=C(NC1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9256417 SXTHXYFFCYDOBU-QGZVFWFLSA-N 344.455 4.027 0 40 EIAB CC(C)n1ncc2c(C(=O)N[C@@H](C)C3CC3)cc(-c3ccccc3)nc21 9575600 NUMBPXKADSBTBX-AWEZNQCLSA-N 348.450 4.208 0 40 EIAB Cn1c(=O)sc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 9587400 OVZBQLAGRDOMHG-UHFFFAOYSA-N 340.448 4.150 0 40 EIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(F)c1 12558685 ROKNCEOQRBRGAM-HNNXBMFYSA-N 341.430 4.255 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccccc3Cl)cnc21 12769802 VGBCGELZQQQURP-GFCCVEGCSA-N 342.830 4.157 0 40 EIAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C2CCCCC2)cc1 12947074 TWTANNVVMZLZFC-UHFFFAOYSA-N 335.407 4.156 0 40 EIAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccccc2Cl)n1 13495359 ZKJHXSKEVLLXMS-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1F 14093509 LHRHJZSZPOPSLR-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB Cc1ccccc1[C@@H](C)N[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14138895 CAGLAWAIGCWEGX-OLZOCXBDSA-N 341.480 4.322 0 40 EIAB CC(C)C[C@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 16967599 ICSUXZIWHKCVMI-KRWDZBQOSA-N 341.480 4.461 0 40 EIAB Cn1nc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2cccnc21 19289491 VUKJLVVBLSTSDE-HNNXBMFYSA-N 340.858 4.001 0 40 EIAB O=C(CC1CCCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19406791 MGTHPJJKHRABFE-UHFFFAOYSA-N 345.468 4.084 0 40 EIAB Cc1cccc(C)c1OCCNc1ccc(OC[C@@H]2CCCO2)cc1 19738217 UXRSOWZBLMTWIY-FQEVSTJZSA-N 341.451 4.352 0 40 EIAB C[C@@H](c1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 20610214 WQTPFZRODSHMAT-AWEZNQCLSA-N 347.414 4.195 0 40 EIAB biogenic O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCCCC1 21170378 LOYPXMYWNUQWTF-GOSISDBHSA-N 334.891 4.211 0 40 EIAB Cc1ccccc1Nc1nc(Nc2ccccc2)c2cnn(C)c2n1 21873354 TVWDCQMYPDXHJC-UHFFFAOYSA-N 330.395 4.159 0 40 EIAB CC(=O)c1sc(NC(=O)CCc2ccco2)nc1-c1ccccc1 24025219 KVQIHDUJBHGPEH-UHFFFAOYSA-N 340.404 4.177 0 40 EIAB O=C(Nc1ccccc1)c1csc(COc2ccc(F)cc2)n1 24864440 LZFVQVMUOPSHKI-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1C 27975046 FQEJYVGTVAPYDP-NSHDSACASA-N 339.222 4.411 0 40 EIAB CCSc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC 29704446 FBCDZHOLPBFWCN-ZDUSSCGKSA-N 345.464 4.307 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)nc2)nn1-c1ccc(Cl)cc1 34907558 VHKYLFZLJGJCIS-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB O=C1C[C@H](c2cccc(Cl)c2)c2ncn(-c3ccc(F)cc3)c2N1 35324443 SDLCBZPCJPMFSM-OAHLLOKOSA-N 341.773 4.139 0 40 EIAB C[C@@H](C(=O)c1cccc(Cl)c1)n1cnc(-c2ccccc2)cc1=O 35597631 USRFMMUHFRQUAQ-ZDUSSCGKSA-N 338.794 4.008 0 40 EIAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)C3CCC3)sc2c1 36676227 PCXGVINBFGPYCI-UHFFFAOYSA-N 337.448 4.333 0 40 EIAB CCN(CC)Cc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 40139151 STNXYWGHYUCQAJ-UHFFFAOYSA-N 348.849 4.251 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2occc2-c2ccccc2)cn1 40146766 DJZUCASXAQXLPM-UHFFFAOYSA-N 335.407 4.440 0 40 EIAB O=Cc1nc2ccccc2n1CCCOc1cccc2ccccc12 41058295 AHHISWXHFUPWBP-UHFFFAOYSA-N 330.387 4.471 0 40 EIAB CCC(C)(C)c1ccc(OC2CCNCC2)c(Br)c1 42775255 IMXYTOLRCSFAEU-UHFFFAOYSA-N 326.278 4.268 0 40 EIAB COC1(OC)[C@H]2C=C[C@@H]1[C@H]1C3c4ccccc4C(c4ccccc43)[C@H]21 45070482 BJDCWSGFUAZUJG-MYYOGRGTSA-N 330.427 4.315 0 40 EIAB CC(C)(C)c1nc(CS(=O)(=O)C/C=C/c2ccccc2)cs1 48712280 CVOHLACAMICZHX-JXMROGBWSA-N 335.494 4.069 0 40 EIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(F)cc2F)C1 49547503 SXTZWIHNHOUUFR-OAHLLOKOSA-N 339.345 4.333 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)n[nH]2)cc1 51315491 YUOUBWNLWCGXPF-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1F 57412650 OENKSZSSXNKCJG-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB c1ccc(Cc2noc(CN3CCC[C@H]3C3CCCCC3)n2)cc1 58209047 CDFVESZUEWPTFV-SFHVURJKSA-N 325.456 4.205 0 40 EIAB O=C1CC2(CCCCC2)C(=O)N1Cc1csc(C2CCCC2)n1 63886985 NOVVBDZJFJJGBI-UHFFFAOYSA-N 332.469 4.010 0 40 EIAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(SC)cc1 64476822 GFWKBUPJRPOZSE-UHFFFAOYSA-N 335.494 4.241 0 40 EIAB COc1ccccc1C1(CNC(=O)NCc2ccccc2)CCCC1 65029044 SIRGBBXFURGJCQ-UHFFFAOYSA-N 338.451 4.006 0 40 EIAB CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 69702954 GSPNDJJRGYFDQD-HNNXBMFYSA-N 339.439 4.478 0 40 EIAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(Cl)cc1Cl 71281777 LRBUSALMRGOGFM-SNVBAGLBSA-N 340.210 4.188 0 40 EIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(O)c(Cl)c2)S1 71284558 IXTXBZUXDUYBDU-ZDUSSCGKSA-N 337.832 4.415 0 40 EIAB CN(C)c1ccccc1NC(=O)N1CC=C(c2cccs2)CC1 71910908 HTQJPVVFXXXCAN-UHFFFAOYSA-N 327.453 4.135 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccnn1C1CCCCC1 75143821 XUVOUXGZGGFNCQ-KRWDZBQOSA-N 341.459 4.398 0 40 EIAB Cc1nc2ccc(NC(=O)N(Cc3ccccn3)C3CC3)cc2s1 75995731 YZTNGNFNUGVBQB-UHFFFAOYSA-N 338.436 4.196 0 40 EIAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc2ccccc2c1 76056578 TVQGSTZAPQIFKA-CKJXQJPGSA-N 336.479 4.137 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@@H]1CCOC1 89910144 XNPOEYJMVYDXPL-ZIAGYGMSSA-N 346.452 4.141 0 40 EIAB CC(C)(C)CN(C(=O)c1ncoc1-c1cccs1)c1cccnc1 96411744 RAAQKXDNHKSRAH-UHFFFAOYSA-N 341.436 4.491 0 40 EIAB C[C@@H](NCc1ccc(C2OCCO2)cc1)c1ccccc1OC(F)F 96477566 HUFAYRMIUOMTFI-CYBMUJFWSA-N 349.377 4.184 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 102549927 ZEFIFGVSTCXILK-QRVBRYPASA-N 333.431 4.377 0 40 EIAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCC2 102606993 FSIXZPXLTWNCOO-OBJOEFQTSA-N 347.480 4.178 0 40 EIAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COC(C)C 224428060 IXWUNPYCHFIEPG-UHFFFAOYSA-N 341.407 4.075 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1ccc(CC)cc1 224639844 WZLMDZIAVJFQKE-UHFFFAOYSA-N 329.465 4.170 0 40 EIAB CC(C)Oc1ccc(NC(=S)NCCCc2ccccc2)cc1 225385650 CLLWSVQUYWNFLX-UHFFFAOYSA-N 328.481 4.393 0 40 EIAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592314 LLKULEUXVSKDPL-HZPDHXFCSA-N 332.488 4.028 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1C 225757581 FWTHJPHIMQEFAR-MRXNPFEDSA-N 342.464 4.204 0 40 EIAB CCc1ccc(CC)c(CNC(=O)CSCc2ccccc2)c1 225779391 ISPXMOPJGACURH-UHFFFAOYSA-N 327.493 4.361 0 40 EIAB CC[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(OC)c(C)c1 225792709 RJXYODJNBSUWFZ-QGZVFWFLSA-N 347.842 4.303 0 40 EIAB CCOc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225794126 TVQUEFCCEUBLFV-UHFFFAOYSA-N 347.418 4.027 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1 257238178 HJWRIJCWZXGRNP-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1cc2ccccc2o1 390830166 JEWODPUAFRNQQJ-MRXNPFEDSA-N 346.333 4.220 0 40 EIAB Cc1ccc(NC(=O)N2CCC[C@@H](COc3ccnc(C)c3)C2)cc1 1776000696 GDWZOJVSJPAHPD-QGZVFWFLSA-N 339.439 4.021 0 40 EIAB Cc1ccc(OC(=O)c2cccs2)c(-n2nc3ccccc3n2)c1 233141 JGYOSMVDPAHVMW-UHFFFAOYSA-N 335.388 4.010 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1cccc(Cl)c1 258577 PDEZEHUKPMWMIR-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 304191 YBMIVNGOUISOMT-RYUDHWBXSA-N 332.831 4.422 0 40 EIAB Cc1nc(SCC(=O)N2CCCC[C@H]2C)c2c(C)c(C)sc2n1 414761 YYCFSPCJRDSIAU-SNVBAGLBSA-N 349.525 4.110 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1ccccc1N1CCCCC1 3312199 ITVNOCROJUMOSW-UHFFFAOYSA-N 342.464 4.340 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1F 3327214 BPNUTYWGPMKDHK-UHFFFAOYSA-N 341.213 4.203 0 40 EIAB C[C@H](OC(=O)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1 3514582 SAEOMQWLRCOZAQ-AWEZNQCLSA-N 335.359 4.131 0 40 EIAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccnc1 4561974 SCXWYKSHCPBTIA-UHFFFAOYSA-N 345.402 4.165 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 6335508 SLYCYRWZYQSZQK-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)S[C@@H](C)C(=O)N2 6678498 SAIHZMXPSXOMTJ-JVXZTZIISA-N 342.251 4.188 0 40 EIAB CC(C)n1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 7343652 KXNNVMILSJTQHY-UHFFFAOYSA-N 339.414 4.119 0 40 EIAB COc1ccc2nc(SCc3ccc(-n4cccn4)cc3)[nH]c2c1 8461613 WZSDAUDMZNKMAQ-UHFFFAOYSA-N 336.420 4.050 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccs1 8753065 MRCSXRWSNLLQMS-LBPRGKRZSA-N 328.462 4.292 0 40 EIAB c1cnc2c(CSc3n[nH]c4nc5ccccc5n34)cccc2c1 9338312 ILDPWPZNRFGKNT-UHFFFAOYSA-N 331.404 4.051 0 40 EIAB O=C(Cc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1 9523481 JWMQETIPLQHNFL-UHFFFAOYSA-N 344.414 4.142 0 40 EIAB CC(C)CC[C@@]1(CCNCCCN(C)C)CCO[C@H](C(C)C)C1 9530618 QUDBQDYIZVMSGS-VQTJNVASSA-N 326.569 4.175 0 40 EIAB CCc1ccc([C@H](NC(=O)Nn2cnc3ccccc32)C(C)C)cc1 10405645 ZEHYNVTXPNDRNZ-LJQANCHMSA-N 336.439 4.249 0 40 EIAB Clc1ccc(-c2noc(CSc3ccc(Cl)nn3)n2)cc1 10653632 JNJUKNSAZMUHTE-UHFFFAOYSA-N 339.207 4.126 0 40 EIAB COc1ccc2cnc(C3CCN(Cc4ccncc4)CC3)cc2c1C 12222770 WFABWEIPKROLTD-UHFFFAOYSA-N 347.462 4.326 0 40 EIAB Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccco3)CC2)c1 12246045 KDYHTQDXZUZYHR-UHFFFAOYSA-N 325.387 4.188 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)c1 13086059 ZMCCNKAUFXOWDA-UHFFFAOYSA-N 349.386 4.172 0 40 EIAB CCn1c(=O)c(CNc2ccc(OC)cc2)cc2cc(C)c(C)cc21 13564259 SGZXMJBAIAOSLO-UHFFFAOYSA-N 336.435 4.259 0 40 EIAB C[C@]12Cc3conc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 13640952 NSYTUNFHWYMMHU-IQDVQEQVSA-N 329.484 4.383 0 40 EIAB biogenic Cc1nc(-c2ccc(CNc3ncnc4ccsc34)o2)cs1 14076351 RRVVTGMYPVXLRL-UHFFFAOYSA-N 328.422 4.328 0 40 EIAB FC(F)(F)c1ccnc(N[C@H](c2ccccc2)c2ccccn2)n1 24053958 BJZIAWYMLAAXOF-OAHLLOKOSA-N 330.313 4.092 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1C 31488137 VZBXUNRMKSPVAT-RKVPGOIHSA-N 342.508 4.217 0 40 EIAB O=C(NCCOc1ccccc1F)c1ccc(-c2ccc(F)cc2)o1 32717174 DXPNEZIMNFZFLY-UHFFFAOYSA-N 343.329 4.034 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2cc(-c3cccc(F)c3)no2)n1 32833325 KYOSUJZTWJJRGW-UHFFFAOYSA-N 345.399 4.487 0 40 EIAB Cc1ccc([C@H](O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 36743843 IFBKTSMUHHSBHQ-LAUBAEHRSA-N 349.478 4.093 0 40 EIAB Cc1cc(OCC(=O)N2CCSc3ccccc32)cc(C)c1Cl 41155149 JMTACYPIVOZUIN-UHFFFAOYSA-N 347.867 4.475 0 40 EIAB CC(C)C(=O)Nc1cccc(CNCc2csc(C(C)(C)C)n2)c1 53017779 IHVLBCRLTQKUTA-UHFFFAOYSA-N 345.512 4.325 0 40 EIAB CCOc1cc(C)c(C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 54363239 ABWWWLHCMHZYJP-UHFFFAOYSA-N 341.517 4.195 0 40 EIAB COC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)cc1 67339689 OIVGLQCMWKLQTP-CSKARUKUSA-N 335.359 4.180 0 40 EIAB COc1cccc2c(C)c(C(=O)Nc3c(C)nn(C(C)C)c3C)oc12 69454867 WHQVLPMQCJDZQD-UHFFFAOYSA-N 341.411 4.396 0 40 EIAB Cc1noc(C)c1C[S@](=O)C(c1ccccc1)c1ccccc1 69521232 PMJZUWSVYTWUPF-HSZRJFAPSA-N 325.433 4.330 0 40 EIAB CCN(C)C(=O)c1cccc(C(=O)N(CC)c2cc(C)ccc2C)c1 69530012 RAFQBMLWJHJEOH-UHFFFAOYSA-N 338.451 4.062 0 40 EIAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccco2)s1 71326556 IUYOWBIDMQYMPE-UHFFFAOYSA-N 341.436 4.281 0 40 EIAB CCOC1CCN(C(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 71855062 HKSGELGNIZBWSP-UHFFFAOYSA-N 345.468 4.151 0 40 EIAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccco1 72229908 MQFRWAHMGAHVSA-QGZVFWFLSA-N 327.767 4.267 0 40 EIAB CO[C@@H](CNC(=O)CCc1cccc(C)c1)c1ccc(Cl)cc1 72296784 IGYUWFCLOAPNFT-SFHVURJKSA-N 331.843 4.085 0 40 EIAB NC(=O)c1cccc(Oc2ncnc3scc(-c4ccccc4)c23)c1 75668142 URAVZXNFTDCHAV-UHFFFAOYSA-N 347.399 4.250 0 40 EIAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 78611612 YWNQWWGNGNZZQD-LJQANCHMSA-N 347.418 4.051 0 40 EIAB CC[C@@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc2cc(OC)ccc2c1 90455301 RPHKIPVTOCSYTP-AZUAARDMSA-N 335.451 4.170 0 40 EIAB CCCc1cc(NC(=O)N2CC=C(c3cccc(C)c3)CC2)n(C)n1 91092677 NYQRRBPSVDZSJW-UHFFFAOYSA-N 338.455 4.002 0 40 EIAB Cc1noc(CSc2nc(C)c(C)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 106556798 ASIGNLLVINEXRB-OEAJRASXSA-N 346.500 4.481 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 137309026 GHDFBOQRGTVFAN-LLVKDONJSA-N 348.805 4.260 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 222860468 RXJGKSHGXOTHFE-GOSISDBHSA-N 331.843 4.246 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 222863649 OBLOIEJUFGRTNH-ROUUACIJSA-N 339.435 4.263 0 40 EIAB CSc1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 223886904 DHMVWKQNSHZYTJ-ZETCQYMHSA-N 345.902 4.033 0 40 EIAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1 224365524 WPWVSYJGCQGMCG-UHFFFAOYSA-N 339.435 4.290 0 40 EIAB CCOCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OC 224408452 HTKDJVLIPCODAP-UHFFFAOYSA-N 327.424 4.409 0 40 EIAB CCOc1ccc(C(=O)N2CCCC2)cc1COCc1ccccc1 224750513 YNOWUISGLKWHII-UHFFFAOYSA-N 339.435 4.038 0 40 EIAB O=C(NC[C@@H](O)C1CCCCC1)c1ccc(-c2ccsc2)cc1 225618764 IJABGHFNFJVSDH-GOSISDBHSA-N 329.465 4.086 0 40 EIAB CCCCOc1ncc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225890015 HHKWGXWLBZOANN-LIRRHRJNSA-N 334.460 4.103 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)n3CC)N21 260752935 AJVIWDBHCLEBAW-OLMNPRSZSA-N 340.496 4.191 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nsnc2c1 409002408 ZOYZLSGMYSLEIM-UHFFFAOYSA-N 342.493 4.300 0 40 EIAB CC(=O)Nc1c(OCc2sc(C)nc2C)n(C)c2c(C)cccc12 579693733 XGXCVQXFEQOKHJ-UHFFFAOYSA-N 343.452 4.097 0 40 EIAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)ccc3C)C2=O)cc1 121635 BJTVQOPRSPIPKM-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB O=C1c2ccc(Cl)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 362477 ILLZHCCAPJLOCW-UHFFFAOYSA-N 326.566 4.447 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 884389 ZUEKSVBYYKJPJU-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB CC(C)N1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)CC1 1460342 GNZAGVVNUOIQBZ-PMACEKPBSA-N 342.527 4.077 0 40 EIAB O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 1749679 ZXWGSLODLGNSKG-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB Cc1csc(SCC(=O)Nc2c(Cl)cccc2Cl)n1 3413976 KSZJOYFIEPJDEB-UHFFFAOYSA-N 333.265 4.489 0 40 EIAB CCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033425 FGPDXXTYKFWGIV-CQSZACIVSA-N 337.398 4.106 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)C2CCCCC2)CSC3)c1 4077333 WKVXSUZUQFAJQD-UHFFFAOYSA-N 341.480 4.446 0 40 EIAB c1ccc(-c2cc(Nc3ccc4c(c3)CCC4)n3ncnc3n2)cc1 4898045 BGMHYNDPKWJXHW-UHFFFAOYSA-N 327.391 4.024 0 40 EIAB c1cnc2nc(-c3ccc(NCc4ccc5c(c4)OCO5)cc3)oc2c1 4973789 GIBGYOZIOUMQBA-UHFFFAOYSA-N 345.358 4.231 0 40 EIAB COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1OC 5169467 CKLLRELYFPFGSN-UHFFFAOYSA-N 333.387 4.208 0 40 EIAB CC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5373995 BPFLPNZAGDNBRG-UHFFFAOYSA-N 342.464 4.326 0 40 EIAB Cc1ccc([S@@](=O)c2snnc2-c2ccc(Cl)cc2)cc1 5617859 WFEYNVKISKRTIG-NRFANRHFSA-N 334.853 4.334 0 40 EIAB CCOc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc(OCC)c1OCC 6047774 UWVJZUBZQLAEFM-GJZGRUSLSA-N 349.471 4.286 0 40 EIAB Cc1cc(OS(=O)(=O)c2cc(C)c(C)cc2C)c2ccccc2n1 6165006 PGMGPVUKSUUXHM-UHFFFAOYSA-N 341.432 4.236 0 40 EIAB Cc1ccc(CSCC(=O)N[C@H]2CCCc3ccccc32)cc1 6313816 FUQFSBRLHOUJHG-IBGZPJMESA-N 325.477 4.422 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 6585356 IWNWNTJRKVHOQA-IVKJLDKCSA-N 347.886 4.440 0 40 EIAB Cc1ccc2nc(C)cc(C(=O)OCCOc3ccccc3F)c2c1 6652803 TVYSOCLMUFEBQU-UHFFFAOYSA-N 339.366 4.227 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 8266440 FXTVLAQUPJRXSW-HZPDHXFCSA-N 334.891 4.407 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 9076949 DOKBCMWQZVUAMX-UHFFFAOYSA-N 338.392 4.149 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)NCC1(c2ccccc2)CCC1 10221698 KCALZGKKOXJFPA-VAWYXSNFSA-N 332.403 4.079 0 40 EIAB Cc1cc(C)n(-c2ccc(SCc3ccccc3Cl)nn2)n1 11067599 CCOGTNPMLKDXNC-UHFFFAOYSA-N 330.844 4.225 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCc2ccccc21 11368028 SGDRZRHYJGMWBN-UHFFFAOYSA-N 336.366 4.003 0 40 EIAB CCCOc1ccc(S(=O)(=O)N(CCC)CCC)c2ccccc12 12291760 AKBCAILMANRRCA-UHFFFAOYSA-N 349.496 4.439 0 40 EIAB C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccc(F)cc1 14775007 CWOAGYSGNPOVFW-NSHDSACASA-N 343.789 4.360 0 40 EIAB Nc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCCC1 15861513 BFEVMSKGEMLPRN-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB Cc1ccccc1CN1CC[C@H](c2nc(-c3cccs3)no2)C1 19237166 WOGMYKLKAAQWJT-HNNXBMFYSA-N 325.437 4.096 0 40 EIAB Cc1nc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)c2ccccn12 19240677 ZRNAUBCUAUPYAZ-MRXNPFEDSA-N 341.405 4.301 0 40 EIAB CCN1CCc2cc(-c3cncn3C[C@@H](C)n3nc(C)cc3C)ccc21 19719388 YPJJOVYZXYFPOA-QGZVFWFLSA-N 349.482 4.007 0 40 EIAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc2cccnc12 23074103 CFRGKZJXWCCLJS-GOSISDBHSA-N 348.402 4.045 0 40 EIAB C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(F)c1 25482502 JISAHGWAECFYJV-SNVBAGLBSA-N 342.292 4.163 0 40 EIAB COc1cc(NC(=O)c2ccc(F)c(F)c2F)c(OC)cc1Cl 28210958 AKSQMNSWCOTSKZ-UHFFFAOYSA-N 345.704 4.027 0 40 EIAB CC[C@H]1CCCCN1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 28227449 AXYDJEWBOCTJQD-AWEZNQCLSA-N 349.862 4.199 0 40 EIAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 28245004 GNVNFLOYMHMAMW-MSOLQXFVSA-N 335.382 4.062 0 40 EIAB C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 32610151 ASCSQQQDJSYTOK-SECBINFHSA-N 338.190 4.213 0 40 EIAB Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 36621092 KXASZUBCBJHIQL-QGZVFWFLSA-N 335.856 4.174 0 40 EIAB COCc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 36761118 MECFIIXIWWYKQF-UHFFFAOYSA-N 334.375 4.273 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 38772864 YPALDAPDPSZYGR-UXHICEINSA-N 341.451 4.429 0 40 EIAB CCOc1ccccc1NC(=O)NCc1nc2ccccc2s1 40098732 JAIZJOGMCGXKIP-UHFFFAOYSA-N 327.409 4.017 0 40 EIAB Cc1ccc(-c2nnc(CN(Cc3cccs3)C3CC3)o2)cc1 46512212 HJEIANUDYDULFW-UHFFFAOYSA-N 325.437 4.271 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 48236895 HBDRSQDHBKFAQO-YOEHRIQHSA-N 337.423 4.009 0 40 EIAB COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(N3CCCC3)c2c1 49421498 ZXNQAXHRAODCQP-UHFFFAOYSA-N 346.430 4.383 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57413703 QNYBYNLWNARYGC-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB CN(CCc1ccncc1)c1nc(-c2ccccc2)nc2ccccc12 63507630 SMRLXZZSNSTSLR-UHFFFAOYSA-N 340.430 4.371 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1 67024740 LAEZNIWVWJBZCD-DLBZAZTESA-N 327.403 4.270 0 40 EIAB CCC(CC)(NC(=O)Nc1cc(C)nn1C)c1ccc(Cl)cc1 69324077 OHCYWBDEEQWVGP-UHFFFAOYSA-N 334.851 4.219 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2c(C)noc2C)S1 71284159 IYRVCEJCVFPLOC-CQSZACIVSA-N 332.429 4.195 0 40 EIAB CCC(C)(C)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 72085322 QYMVESYPQXJTFW-UHFFFAOYSA-N 335.451 4.137 0 40 EIAB CC(C)COc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 72272718 SEUOADDEIREWMX-UHFFFAOYSA-N 349.377 4.253 0 40 EIAB CCO[C@@H](C)c1nc(CC(=O)O[C@@H](c2ccccn2)C(C)C)cs1 72287217 GSNOSKSQFFSWCS-SUMWQHHRSA-N 348.468 4.119 0 40 EIAB CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1C 79183164 MHTGZLONLKAUDQ-CVEARBPZSA-N 340.398 4.143 0 40 EIAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccnc1SC1CCCC1 84525470 HOVQLHSATVNTIG-ZWKOTPCHSA-N 338.476 4.402 0 40 EIAB COc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1 85472396 IUOCSNXAXXCPIP-UHFFFAOYSA-N 345.464 4.074 0 40 EIAB CC(C)n1cc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)cn1 86397532 HDFYSOSKSIGMPI-UONOGXRCSA-N 330.432 4.053 0 40 EIAB O=C(Nc1cnc(C2CC2)nc1)N1CCCCC[C@@H]1c1ccco1 95399136 GCRQAYMGJNUXKH-OAHLLOKOSA-N 326.400 4.096 0 40 EIAB CS[C@H]1CCCC[C@H]1NCC1(c2ccc(F)cc2)CCOCC1 95967433 MUNJNPOELPDDNT-MSOLQXFVSA-N 337.504 4.138 0 40 EIAB C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 102202713 GCLRGSOQPXHGPU-RTWAVKEYSA-N 345.826 4.001 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102235516 KMGBJUJLCHILAK-GHYKFQNRSA-N 335.875 4.357 0 40 EIAB N=C1C(c2nc3ccccc3s2)=C(O)CN1CCc1ccccc1 102739002 GAUURTYAKGFJBI-UHFFFAOYSA-N 335.432 4.101 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 192963344 GGWRIEDTGWYMHK-MRXNPFEDSA-N 332.403 4.078 0 40 EIAB COc1cccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 211746797 CHNYLFITOBQWLV-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1cccc2ccccc12 218913982 DAHMEEBJIZWTDP-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222814206 LSWIRCKYGMYJHC-ZIAGYGMSSA-N 337.901 4.177 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)s1 222948713 VPBMZDWQHQBXBY-HOTGVXAUSA-N 331.510 4.224 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1 223434845 BZCTZMOIMHMUKO-UHFFFAOYSA-N 331.821 4.002 0 40 EIAB Cc1cc(NC(=O)C(C)(C)Br)cc(C)c1OCC(C)C 225595729 DYPPKIQMTNGXGO-UHFFFAOYSA-N 342.277 4.450 0 40 EIAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Cl)cc1 226238223 ZYCXSUHUCHTNRJ-UHFFFAOYSA-N 347.871 4.172 0 40 EIAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)[C@@H]1[C@H]2CCCC[C@H]21 247516953 WAAMYFYUQIQYCQ-MANSERQUSA-N 340.854 4.377 0 40 EIAB Cc1ncc(-c2cc([C@H]3CCCN3Cc3ccccc3)ccn2)n1C 257306759 SVSOHKBQDHGNRY-HXUWFJFHSA-N 332.451 4.128 0 40 EIAB CSc1cccc(NC(=O)CSc2ccccc2NC(C)=O)c1 409176602 SLDNNEALLFYMAT-UHFFFAOYSA-N 346.477 4.098 0 40 EIAB Cn1cc(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c(C2CC2)n1 626570441 BUMVGNGRZOYDFA-OAHLLOKOSA-N 344.846 4.150 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)O)[C@H](C)c1ccccc1 49610 FKGMRMZWDUIXMG-IUODEOHRSA-N 345.826 4.482 0 40 EIAB Clc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222331 CRWSCNNBAURXLK-CABCVRRESA-N 346.221 4.126 0 40 EIAB COc1ccc(CNc2ncnc3c2[nH]c2ccc(Cl)cc23)cc1 520516 AUYXHTPLZMSCHY-UHFFFAOYSA-N 338.798 4.385 0 40 EIAB O=C(Nc1sc2c(c1CN1CCCC1)CCCC2)c1ccccc1 1465614 WICIDTOLGDNDLH-UHFFFAOYSA-N 340.492 4.475 0 40 EIAB Cc1cccc(NCN2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1 3015073 QDMVISOJZCZWGE-YBEGLDIGSA-N 342.395 4.240 0 40 EIAB O=C(Cc1coc2ccc3ccccc3c12)Nc1nnc(C2CC2)s1 3297673 MYXMVJKYDMDMRX-UHFFFAOYSA-N 349.415 4.496 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCCCCC1 3327527 GALWRINZOMWXGJ-UHFFFAOYSA-N 325.456 4.332 0 40 EIAB C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 5507672 RQYUGMRINWAMPF-OAHLLOKOSA-N 337.419 4.414 0 40 EIAB CCn1c(C)cc(C(=O)COC(=O)Cc2ccc3ccccc3c2)c1C 5916513 YRYGLQGHMKMYLR-UHFFFAOYSA-N 349.430 4.247 0 40 EIAB C[C@H]1CCCCN1CCCCOc1ccccc1Br 6183678 MXCILNRXBYPLIP-AWEZNQCLSA-N 326.278 4.483 0 40 EIAB Clc1ccccc1OCCSc1nnc2[nH]c3ccccc3n12 6508827 BSWJCMLMUKEPOX-UHFFFAOYSA-N 344.827 4.035 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c1 8234175 WXRVFYZMBFONQX-ZDUSSCGKSA-N 339.420 4.164 0 40 EIAB c1ccc(Cc2nnc(SCc3ccc(-n4cccn4)cc3)o2)cc1 9051709 IXSCOBRDJJDPLS-UHFFFAOYSA-N 348.431 4.138 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccs1 9690700 QIVPTSOTFJNAHB-JTQLQIEISA-N 334.491 4.353 0 40 EIAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1 10093426 UOJQVVPOXTVHSL-UHFFFAOYSA-N 344.418 4.071 0 40 EIAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)c(Cl)c1 10402704 NWCXYOLWPSNWQC-SNVBAGLBSA-N 349.221 4.357 0 40 EIAB Cc1ccsc1-c1nnc2sc(-c3ccc(F)cc3F)nn12 12408169 HKIDWRCJSPFECT-UHFFFAOYSA-N 334.376 4.168 0 40 EIAB CC[C@H](CO)Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 12855130 KJTKQPSYAQUCHY-GFCCVEGCSA-N 333.844 4.195 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 16599302 JWCUHSJXTXDQDA-INIZCTEOSA-N 337.250 4.026 0 40 EIAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 17248077 HWPPLAPUDOOVFL-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cnn12 20605629 IXSFFWVOPBBETG-UHFFFAOYSA-N 342.569 4.055 0 40 EIAB COc1ccc(CC(=O)OCc2cccc3ccccc23)c(OC)c1 21595009 RLOZPFGVOVMVIT-UHFFFAOYSA-N 336.387 4.143 0 40 EIAB CCn1ncc2c(C(=O)N3CCCCCC3)cc(-c3ccccc3)nc21 21959891 JOTJCUUGDZVTGT-UHFFFAOYSA-N 348.450 4.134 0 40 EIAB O=C1c2ccccc2C(=O)N1CCCSc1ccc2ccccc2n1 24658815 RGICSEUOQWPUIS-UHFFFAOYSA-N 348.427 4.013 0 40 EIAB COc1cc(F)ccc1NC(=O)Cc1ccc(Cl)cc1Cl 25309896 YJTMHVMPNUKNFM-UHFFFAOYSA-N 328.170 4.322 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccccc2)c1 26316046 PVHMMEUUGPTEIB-GJZGRUSLSA-N 339.439 4.109 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)cc2c1 27399930 QSSKLOMMANYOIA-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB O=C(COc1cccc(F)c1)Nc1nc(-c2cccc(F)c2)cs1 29354680 BVIWYSJAFSRTBJ-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 30751085 GLQBNWCPLJQVAK-AWEZNQCLSA-N 331.843 4.328 0 40 EIAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(F)cc1 32604066 AUQYPMZHOISZOZ-UHFFFAOYSA-N 341.411 4.079 0 40 EIAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623612 KOCSSUKLJOMGJN-UHFFFAOYSA-N 327.771 4.406 0 40 EIAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(C)cc1 32642886 OSGSYFDOXLRFEL-UHFFFAOYSA-N 349.434 4.344 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)c2ncccc12 41157034 INKVZVKECXZIDQ-GOSISDBHSA-N 338.382 4.478 0 40 EIAB COc1cc(C)c(NC(=O)N(C)[C@H](C)c2ccccc2)cc1OC 43403888 UFJDTBFNXPRJEC-CQSZACIVSA-N 328.412 4.237 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1 44883873 POMCSEVBCMIXCK-SFHVURJKSA-N 347.842 4.213 0 40 EIAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc(OC2CCCC2)cc1 49544364 RRTRMCPFIOLDLE-KRWDZBQOSA-N 343.452 4.166 0 40 EIAB CCOc1ccc2cc3c(nc2c1)OCCN(Cc1ccccc1)C3 57718821 FRMNUZNVSJTOON-UHFFFAOYSA-N 334.419 4.028 0 40 EIAB COc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 62059980 VGADHOWVVCFNNJ-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB Nc1c(Cl)cc(NC(=O)c2nccc3ccccc23)cc1Cl 63535808 PLYGDZJRBZNGCS-UHFFFAOYSA-N 332.190 4.376 0 40 EIAB O=C(COCC(F)(F)F)Nc1c(F)cc(F)cc1-c1ccccc1 67494683 JCDASBFLYNZVSM-UHFFFAOYSA-N 345.267 4.149 0 40 EIAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](C(F)(F)F)CC(O)=N2 71279236 AUELAXXBQIEMIG-JTQLQIEISA-N 331.338 4.099 0 40 EIAB Cc1ccc(NC(C)C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 79105800 YBRJYGOSISAETH-UHFFFAOYSA-N 338.860 4.270 0 40 EIAB COc1cccc2cc([C@@H](C)NCc3ccc([S@](C)=O)cc3)oc12 85299264 MJVYCTUFHLBTKM-YEBMWUKDSA-N 343.448 4.030 0 40 EIAB CC(=O)Nc1cccc([C@H](C)OC(=O)Cc2cccc3cccnc23)c1 89492826 GFINTVKBZVZEGY-AWEZNQCLSA-N 348.402 4.040 0 40 EIAB Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)o1 96051103 XDAUHDIWFJJLQC-LJQANCHMSA-N 346.421 4.326 0 40 EIAB CC(=O)Nc1ccc(O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 96448234 WLTZYYKTIXYFQL-ZDUSSCGKSA-N 337.379 4.143 0 40 EIAB C[C@H]1CCCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 102422812 RIAHUMHFOFRFFL-ZWKOTPCHSA-N 336.479 4.013 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c(C)c1 102602055 JFWAHTOTLIRFHK-FHWLQOOXSA-N 333.431 4.377 0 40 EIAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@H]2CCCC[C@H]21 105934382 UIQMSGQVYZXARC-BRWVUGGUSA-N 332.513 4.066 0 40 EIAB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1C 211508189 PXGQLCFXZFPYPJ-DHDCSXOGSA-N 328.393 4.001 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1cccc2ccccc12 222952478 BLBNOCMNNYMKOW-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1 223226614 JEJBIHOHLHNLMX-IRXDYDNUSA-N 337.463 4.437 0 40 EIAB CCOc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1Cl 224528580 GQTXSPJOEBWWTL-UHFFFAOYSA-N 333.815 4.020 0 40 EIAB CCOCc1cc(C(=O)Nc2ccccc2OCC)ccc1OCC 224696592 AQOXHOABMZQODL-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)COc1cccc2c1CCCC2 225008881 KNMNCWSBCUYOHJ-QGZVFWFLSA-N 337.463 4.082 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)NC2CCCCCC2)c1 225353761 XFMRUVAUILNZIS-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cccc(C)c2)c1 225487930 ZATGFHJIPIDWNN-INIZCTEOSA-N 325.452 4.204 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2CCCCCCC2)c1 225517731 JJLJFEPZULPVHU-UHFFFAOYSA-N 334.485 4.263 0 40 EIAB CC(C)c1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 225726591 WIPAEMLHDNSGBY-IAGOWNOFSA-N 347.572 4.464 0 40 EIAB CCC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3o2)c1 226774700 MOOTWQQCLMIRSH-UHFFFAOYSA-N 332.221 4.263 0 40 EIAB CCN(CC)Cc1csc(NC(=O)c2cc(F)ccc2Cl)n1 585085699 BUVNOQNALXLMMB-UHFFFAOYSA-N 341.839 4.030 0 40 EIAB COc1ccc(-c2cc(=O)c3cc(OC(=O)C(C)C)ccc3o2)cc1 132563 AQLSPRFYNGCEFB-UHFFFAOYSA-N 338.359 4.030 0 40 EIAB biogenic O=c1oc(-c2ccccc2Br)nc2ccc(Cl)cc12 363344 CTZHIGMLOPJBDJ-UHFFFAOYSA-N 336.572 4.271 0 40 EIAB O=C(Nc1ccc(Br)cc1F)[C@@H]1C[C@H]1c1ccccc1 475553 HCRNEJDDKQWLHQ-QWHCGFSZSA-N 334.188 4.330 0 40 EIAB O=C(Oc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1Cl 480091 ZLVSPQQEPHVHTQ-UHFFFAOYSA-N 335.142 4.319 0 40 EIAB Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2C)c(Cl)c1 513732 MZKIYWRZIPZBDH-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3)s2)cc1 568189 LDXVZHKRVHFZEZ-UHFFFAOYSA-N 338.432 4.060 0 40 EIAB COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl 1266498 OFLCIIWIQLRSKD-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB Cc1cc(OCc2nnc3n2-c2ccccc2SC3)ccc1Cl 2638032 IYPQFSQKRJXOJO-UHFFFAOYSA-N 343.839 4.414 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 3559851 IHFRIRXTDJMOGM-UHFFFAOYSA-N 337.375 4.099 0 40 EIAB CSc1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 5299205 LJMRYHMYBKAOFX-UHFFFAOYSA-N 332.425 4.339 0 40 EIAB CCCn1c(NC(=O)Cc2c[nH]c3ccccc23)nc2ccccc21 6610625 TVXOJVOZNYPGDD-UHFFFAOYSA-N 332.407 4.109 0 40 EIAB O=C(Nc1ccccc1)c1nccnc1-c1nc2ccccc2s1 6662369 HZVBKBIKUDPMHL-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6961946 JWWGNYJPKPVQKV-BDYZYUDZSA-N 332.469 4.174 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc1C 7595697 VDAMRTHJGPKJFM-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB O=C(CCc1nc2ccccc2s1)NCc1ccccc1Cl 8034551 QMELTAHALHDINN-UHFFFAOYSA-N 330.840 4.199 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3OC)ccc2c1 8136256 NYTHCQXHHNVYBU-HNNXBMFYSA-N 349.430 4.277 0 40 EIAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 8478638 KDEDWMITRTWFEK-HNNXBMFYSA-N 327.424 4.444 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC 8499574 ZFHDHFLGGUALKP-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB Cc1csc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1 8710861 MAXPDRJXSDZMLS-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB O=C(Nc1ccc(O)c2ccccc12)c1ccc(Br)o1 8757023 VQPBUOWSVJVSLV-UHFFFAOYSA-N 332.153 4.153 0 40 EIAB CC(C)C[C@@H](NC(=O)Cc1cccs1)c1nc2ccccc2[nH]1 9115332 AITAMOXJZXZAHO-MRXNPFEDSA-N 327.453 4.071 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 12363866 KQYUGGMMKPPZTR-WOUAJJJCSA-N 329.399 4.098 0 40 EIAB c1ccc([C@@H]2c3ccsc3CCN2Cc2nc(C3CC3)no2)cc1 12552829 UBZLSQGKXUPKTC-GOSISDBHSA-N 337.448 4.156 0 40 EIAB CCC(CC)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 12790724 DTLNGNIKSJVIIU-UHFFFAOYSA-N 329.444 4.097 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)c1ccc(Br)cc1 13494476 OXIZEIJTYOTNGG-UHFFFAOYSA-N 348.225 4.015 0 40 EIAB O=C(Nc1nc2ccccc2s1)[C@H]1COc2ccc(Cl)cc2C1 14239945 SAEWDCMQHMJJDM-LLVKDONJSA-N 344.823 4.140 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1 16780136 QYVLOQRVWOGRHO-JTQLQIEISA-N 330.236 4.033 0 40 EIAB CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1[C@@H](C)CC 16780676 JHEKHPCTJCYHGZ-AWEZNQCLSA-N 339.501 4.210 0 40 EIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1 17115806 YVVKEHXFVLURNP-UHFFFAOYSA-N 336.357 4.090 0 40 EIAB CC(C)n1ncc2c(C(=O)N3CCCCC3)cc(-c3ccccc3)nc21 17320365 XPMCQFAHTAMFJY-UHFFFAOYSA-N 348.450 4.305 0 40 EIAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1C 19736769 CPVBPROXDWRAPQ-ZFWWWQNUSA-N 326.440 4.497 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cnc2ccccc2n1 20018988 UXMHSNYXFRDENU-IBGZPJMESA-N 345.427 4.211 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20040357 KVHMEJQZQCQZAL-INIZCTEOSA-N 327.424 4.335 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CSCc2ccc(F)cc2)c1 20460699 YBFJZBQJLQYUHP-UHFFFAOYSA-N 347.455 4.163 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc21 20492366 CHLMAMJFPQIPSG-RTBURBONSA-N 327.399 4.177 0 40 EIAB Cc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1Cl 20662142 FEYIZNKSAHJQSO-UHFFFAOYSA-N 341.846 4.014 0 40 EIAB O=C(NC1CCCCCCC1)c1ccccc1OC[C@@H]1CCCO1 21844273 XEQWUBXVAYMWKW-KRWDZBQOSA-N 331.456 4.087 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(F)cc1Cl 24574616 PTEURDBRZFRJST-UHFFFAOYSA-N 328.774 4.451 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)n1 27970368 FFGOKLRJJDJSLX-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cccc(Nc2ncccn2)c1 28064756 RKBOPJCQXYDKNZ-UHFFFAOYSA-N 338.798 4.434 0 40 EIAB O=C1CSc2ccccc2N1C(=S)Nc1ccc(Cl)cc1 28527626 SUDZPMBHVDLKBP-UHFFFAOYSA-N 334.853 4.176 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1c2ccccc2C[C@@H]1C 30863208 WLVQIAIMKYYCTI-UGSOOPFHSA-N 329.827 4.475 0 40 EIAB C[C@@H](NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1 32930440 GGECUJSPRGOLGK-LLVKDONJSA-N 325.380 4.160 0 40 EIAB Cc1ccnc(NC(=O)c2csc(-c3cc4ccccc4n3C)n2)c1 35598456 WFJFPASHDCNBOG-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB COc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2Cl)S1 35647352 GVMAJOCNGVCIPE-XNTDXEJSSA-N 344.823 4.431 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCC(c2nc3ccccc3o2)CC1 36623846 ONTAGPCVIYKFDO-USXIJHARSA-N 338.451 4.360 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1ccccn1 36835735 BTPNMOKHCVYFRE-JOCHJYFZSA-N 341.414 4.011 0 40 EIAB CCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38857558 RGMLONITCGIAIN-AWEZNQCLSA-N 343.298 4.122 0 40 EIAB CCc1cccc(CC)c1NC(=O)N(C)Cc1ccc2c(c1)OCO2 40098952 PKIYXTMEZORQGZ-UHFFFAOYSA-N 340.423 4.204 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 40119684 OXWNAEOZGCCNTD-UHFFFAOYSA-N 345.801 4.417 0 40 EIAB C[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N(C)C1CCCCC1 45927483 GVWVYGUPOQKNMH-CQSZACIVSA-N 343.496 4.348 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnco2)cc1 47256562 MUZOXHKADIKZSC-UHFFFAOYSA-N 346.390 4.179 0 40 EIAB Cc1cc(C)c(NC(=O)CN(C)CCO[C@H]2CCCC[C@@H]2C)c(C)c1 48343404 VXMHYJLIVVYGJE-LPHOPBHVSA-N 346.515 4.077 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 58051118 QQSBFCYTIJKPHG-HOTGVXAUSA-N 349.434 4.034 0 40 EIAB Cc1cc(C(=O)N(C2CC2)[C@H](C)C(C)C)c(C)n1-c1cccnc1 58262644 VZIWKFCIAVFGMK-OAHLLOKOSA-N 325.456 4.138 0 40 EIAB CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21 64960969 RSFRJGVURUKGRM-UHFFFAOYSA-N 345.402 4.355 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(Cl)s1 69726654 ZXNDCDHZSOLXLC-INIZCTEOSA-N 328.824 4.316 0 40 EIAB COc1ccc(OC)c(-c2cc(-c3ccc(C)cc3C)nc(N)n2)c1 71977985 UZFFSXMXEPNSCD-UHFFFAOYSA-N 335.407 4.027 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2ccc3c(c2)CCC3)c(F)cc1F 75138321 MFASBHPSJAQXOV-UHFFFAOYSA-N 345.349 4.056 0 40 EIAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(OC2CCCC2)cc1 84392425 LGIIMEBCPPJOGH-UHFFFAOYSA-N 347.418 4.446 0 40 EIAB CCC[C@@H]1CCc2nc(NC(=O)c3cc(C4CC4)on3)sc2C1 84740800 SOZGQPCCLJBKNT-SNVBAGLBSA-N 331.441 4.166 0 40 EIAB CS[C@@H]1CCCC[C@@H]1NCc1cccc(COC2CCOCC2)c1 95967915 GCKMXBXQHMDWOJ-VQTJNVASSA-N 349.540 4.146 0 40 EIAB COc1c(C)cnc(CSc2nnc(Cc3cccs3)o2)c1C 96411916 DLHXXKNDGQQTLW-UHFFFAOYSA-N 347.465 4.035 0 40 EIAB O=C(NCc1ccccc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102155851 SLYIFTMFXFYPBW-RCDYEMGKSA-N 348.284 4.037 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)cc1 113970551 VQRLGMRKEZYRJB-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c(C)c1 219525999 QXMZJWHJSNNBFG-INIZCTEOSA-N 345.870 4.473 0 40 EIAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 222866053 NIAXWMXQBNBECM-IBGZPJMESA-N 341.451 4.267 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224141742 VNJVFVVDEUGJOM-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 224622494 PFJPHXASNKUIMS-KBXCAEBGSA-N 331.843 4.417 0 40 EIAB Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224709137 CWQURIXGPPMIRY-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 224996548 KKABDRFBCMIULR-CYBMUJFWSA-N 344.842 4.429 0 40 EIAB Cc1nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1C 225893999 CJNKNMKNPCBQMT-UHFFFAOYSA-N 334.206 4.441 0 40 EIAB Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 252508902 XXCIGZQKWTYMHK-WDEREUQCSA-N 335.448 4.186 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257212134 CCBNDZPONBRHHO-RTBURBONSA-N 346.902 4.209 0 40 EIAB O=C(NC1(c2cccs2)CCOCC1)c1cc2ccccc2s1 390828665 SRKSZEYQBYSYQB-UHFFFAOYSA-N 343.473 4.399 0 40 EIAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3cccc(Cl)c3)[C@H]2C1 409412844 REVIUPJJWOONRD-VBNZEHGJSA-N 336.863 4.397 0 40 EIAB O=C(c1ccc(SC(F)(F)F)cc1)C(F)(F)Br 575361262 VUEURVJZVWNIGQ-UHFFFAOYSA-N 335.091 4.469 0 40 EIAB O=C(N=c1cc[nH]cc1)c1nc(-c2ccccc2)oc1-c1ccccc1 596068828 COHAKNLJHYIWDU-UHFFFAOYSA-N 341.370 4.078 0 40 EIAB Cc1ccc(C)n1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 604419331 UEGCTMNBPMONQZ-INIZCTEOSA-N 339.464 4.078 0 40 EIAB C=CC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 1136576641 LVSMHJHGKNRLHE-SFHVURJKSA-N 348.446 4.221 0 40 EIAB Cn1c(O)nc2ccc(NCc3cccc(Oc4ccccn4)c3)cc21 1662606583 ZFCVLZCTFGNIQN-UHFFFAOYSA-N 346.390 4.078 0 40 EIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl 307158 FSENDHHZIIEZMK-CQSZACIVSA-N 344.842 4.082 0 40 EIAB CC(C)(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 383050 ROAGHIHWUGQKBG-UHFFFAOYSA-N 335.436 4.212 0 40 EIAB COc1ccc(-c2nc3ccccn3c2NC2CCCC2)c(OC)c1 417876 SBZVQMVORHZADF-UHFFFAOYSA-N 337.423 4.373 0 40 EIAB CC(C)CC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1 1297694 XHSWSFHANDPXHW-UHFFFAOYSA-N 339.461 4.095 0 40 EIAB CCCCOC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 1744689 NEOKZWULCWVBLQ-UHFFFAOYSA-N 345.826 4.478 0 40 EIAB CCOCCCn1c(-c2cccs2)nc2nc3ccccc3nc21 2417846 XMXWPPJRVGICRF-UHFFFAOYSA-N 338.436 4.135 0 40 EIAB CCCc1cc(=O)[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 2888421 IMHDNKYWRBULML-UHFFFAOYSA-N 331.725 4.138 0 40 EIAB CC(C)(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3282338 MTCYGIFSUHSZQV-UHFFFAOYSA-N 336.844 4.182 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)OC/C=C/c3ccccc3)cc2)n1 3342552 IDESQPWCJVCEAY-RMKNXTFCSA-N 332.403 4.359 0 40 EIAB O=C(COC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 3398861 WAUGINSJVKGHTE-UHFFFAOYSA-N 347.370 4.274 0 40 EIAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCCC1)c1ccccc1 3458352 GCWWWKITYCFRIF-OAHLLOKOSA-N 336.435 4.306 0 40 EIAB Cc1cc(OCCCC(=O)NCc2ccc(F)cc2)ccc1Cl 3551585 ZCOXQZOIDBYZQJ-UHFFFAOYSA-N 335.806 4.263 0 40 EIAB Cc1ccc(SCCC(=O)Nc2nc3c(s2)CCCC3)cc1 4496507 DTUSRCCLXHINSP-UHFFFAOYSA-N 332.494 4.451 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)O[C@H]2CC[C@H](C)[C@H](C)C2)cc1 4654040 UVGFPVDJCRFIPE-DAYGRLMNSA-N 347.455 4.172 0 40 EIAB CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 4816495 CDSJKPYQZWHOFL-OALUTQOASA-N 346.434 4.064 0 40 EIAB COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1OC 5169460 HVGLEWCJUFLMSA-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB C=C1C(CC)=C(c2ccccc2)N=C(c2ccccc2)N1CCCO 5478429 MBQAPNYAFNKKBX-UHFFFAOYSA-N 332.447 4.466 0 40 EIAB CCCCCC(=O)NC(=S)Nc1ccccc1N1CCCCC1 6569746 BCPHBQHPXHIKLW-UHFFFAOYSA-N 333.501 4.070 0 40 EIAB Cc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1C 6748060 GLBZFFVUSDDWCF-UHFFFAOYSA-N 335.860 4.500 0 40 EIAB Cn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 6861570 DSVRECKJQIBTAP-UHFFFAOYSA-N 345.855 4.340 0 40 EIAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(-c2ccccc2Cl)o1 6971285 ZYQQWPHQOJWNCF-UHFFFAOYSA-N 337.766 4.151 0 40 EIAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)s1 7995448 WZCXMHISUSJOJC-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB O=C1N[C@H](c2ccc(-c3nc4ccccc4s3)o2)Nc2ccccc21 8191744 KDWABMLWHJRGDU-QGZVFWFLSA-N 347.399 4.410 0 40 EIAB O=C(NCCCCOc1ccccc1)c1ccccc1Br 11079266 JASDUXGILIISJT-UHFFFAOYSA-N 348.240 4.038 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(C3CCCC3)n[nH]2)c(C)c1 12104216 HMFIATRYGZDNFE-ZDUSSCGKSA-N 344.484 4.198 0 40 EIAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1 12687314 IOIMWFGUKYOGTN-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB COc1ccc(-c2nc(COC(=O)[C@H]3CC=CCC3)cs2)cc1 12774917 GJPOKUIHUWWLPU-AWEZNQCLSA-N 329.421 4.218 0 40 EIAB COC(=O)c1sccc1NC(=O)c1cc(F)c(Cl)cc1Cl 12776635 OVFMGUUIMPMJAS-UHFFFAOYSA-N 348.182 4.233 0 40 EIAB CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 12783742 UMTYPPHECCJUTM-UHFFFAOYSA-N 341.480 4.245 0 40 EIAB CC(C)n1ncc2c(C(=O)NC3CCCCCC3)cc(C3CC3)nc21 12792135 AXSZEOUEULCKAL-UHFFFAOYSA-N 340.471 4.342 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1cccc(C(F)(F)F)c1 15418848 DOGMIKDULCXWKE-UHFFFAOYSA-N 327.327 4.369 0 40 EIAB Cc1cc(Nc2cccc(Cl)c2)n2nc(-c3ccco3)nc2n1 15780347 FWVSKHKQXIQOQU-UHFFFAOYSA-N 325.759 4.090 0 40 EIAB O=C(Cc1csc(-c2ccccc2)n1)N1CCCc2ccccc21 16022940 METFOWCEYKGZQB-UHFFFAOYSA-N 334.444 4.332 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1OC 20110528 RBHLBRQWVRSEBF-OAHLLOKOSA-N 337.778 4.284 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1ccccc1Cl)c1cc(F)ccc1O2 21117923 YWAZOYTVRRIVIS-CXAGYDPISA-N 348.830 4.414 0 40 EIAB CN1CCC(C(=O)c2ncccc2CCc2cccc(Cl)c2)CC1 22008606 YBWTYYOASANXND-UHFFFAOYSA-N 342.870 4.045 0 40 EIAB CC(C)c1cc(C(=O)NC(C2CC2)C2CC2)c2cnn(C(C)C)c2n1 22385412 FGTKVUOJICRLBK-UHFFFAOYSA-N 340.471 4.054 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccc(N4CCCC4)nc3)coc2c1C 22386978 DLNCSTITOUNASX-UHFFFAOYSA-N 349.434 4.226 0 40 EIAB S=c1n(-c2ccccc2)cnn1CN1CCC[C@H]1c1cccs1 24106061 BQRBQXHGZMMRGW-HNNXBMFYSA-N 342.493 4.259 0 40 EIAB Cc1ccc(CSCCNC(=O)CCNc2ccccc2C)cc1 24974517 RBXWHHBMMLIZAP-UHFFFAOYSA-N 342.508 4.155 0 40 EIAB Cc1c([C@H](C)NC(=O)c2sc3ccccc3c2Cl)cnn1C 25000868 NBUXBWWCXDQXCA-VIFPVBQESA-N 333.844 4.088 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3ccc4c(c3)OCCCO4)cccc2c1C 25676012 IOVQZKXEZLOVGC-UHFFFAOYSA-N 336.391 4.198 0 40 EIAB Cc1csc(=O)n1CCN(C)Cc1ccc(-c2ccccc2)cc1 40091295 ADAAHXIHMOGPMR-UHFFFAOYSA-N 338.476 4.017 0 40 EIAB CC(C)(C)c1nc(CN2CCC(CCc3ccccc3)CC2)no1 40153426 ZPELHJGDYGIXJJ-UHFFFAOYSA-N 327.472 4.212 0 40 EIAB CC(C)[C@@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1 45673252 BZHQSIZTKLVDBV-HXUWFJFHSA-N 349.434 4.039 0 40 EIAB COc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)C)cc1 59471919 MDGYBRMGDVHJAC-JLHYYAGUSA-N 339.435 4.027 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3cccc4[nH]ccc34)cc2c1 65479010 XFKKDODBELOLCM-UHFFFAOYSA-N 331.375 4.285 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)Nc2cccc3[nH]ccc23)CC1 69654997 IVVZJHXWWSJPIR-UHFFFAOYSA-N 347.418 4.295 0 40 EIAB Cc1ccc2nc(-c3cccc(I)c3)oc2c1 73639025 CASDVNKHQXZASN-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB Cn1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)c2ccccc21 85292804 MPKFIAITCAOREW-UHFFFAOYSA-N 344.374 4.013 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Cc1ccc[nH]1 90063918 GKOWTCASNOAFMS-CQSZACIVSA-N 339.464 4.209 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ccccc1Cl 95954048 WORQUPYGFYSVSM-INIZCTEOSA-N 325.799 4.194 0 40 EIAB FC(F)(F)c1ccc2oc(Cn3ccnc3-c3ccccn3)nc2c1 95970920 ZUCYSUSGLSLGME-UHFFFAOYSA-N 344.296 4.153 0 40 EIAB CC[C@@H](C(=O)NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 96097220 OLXIKQTVKQHBEZ-QZTJIDSGSA-N 337.419 4.166 0 40 EIAB Cc1ccc(Oc2ccc(N[C@H](C)c3nc(C4CC4)no3)cc2)nn1 96437177 WRXRMBFVBDVRQQ-GFCCVEGCSA-N 337.383 4.011 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1 98014259 QUUGLBLKUKYINM-CQSZACIVSA-N 334.485 4.145 0 40 EIAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC(c2noc3cc(F)ccc23)CC1 100773768 JBBSLHAKQMXMML-GJZGRUSLSA-N 342.414 4.109 0 40 EIAB C[C@]12C[C@@H](NC(=S)N1c1ccc(Cl)cc1)c1cc(F)ccc1O2 101170487 DTRBABCEGJGKOA-PBHICJAKSA-N 348.830 4.414 0 40 EIAB C[C@H]1CCC[C@H](C)N1C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104489169 YNAGVHDXBFFZOT-PHVLUKDTSA-N 337.548 4.232 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148174200 BLOCFKWZFPNABB-UHFFFAOYSA-N 349.434 4.118 0 40 EIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2o1 195530175 BCRLLYGESUBULV-XJFOESAGSA-N 332.469 4.249 0 40 EIAB O=C(O)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 216937184 PRYNBSOPHAKAKC-UHFFFAOYSA-N 335.142 4.465 0 40 EIAB COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1Cl 223072745 ZYQZFYXBVUTAMW-UHFFFAOYSA-N 335.856 4.179 0 40 EIAB C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 223249285 CJGOHSWCJIRIMT-MRXNPFEDSA-N 349.474 4.310 0 40 EIAB Cc1nc(NC(=S)NCCCc2ccc(F)cc2)ccc1Cl 223965836 FJFOJDHWZSAKCR-UHFFFAOYSA-N 337.851 4.102 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 224190357 PEOMCZUXEPDASV-RTBURBONSA-N 349.459 4.469 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1cccc(F)c1 225396230 HZDAMGHMWWOMMF-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB FC(F)COCCSc1nnc(-c2cccc3ccccc23)o1 225442265 PUGYARVNPANDGX-UHFFFAOYSA-N 336.363 4.264 0 40 EIAB Cn1cc(-c2cccc(CN[C@@H]3CCCNc4ccccc43)c2)cn1 225576637 RHVKSNUBUGGXEP-OAQYLSRUSA-N 332.451 4.124 0 40 EIAB CCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCCCCC1 225899693 AGWSKMCXEREQIU-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900436 YRKQDBZRXLTYOU-MGPUTAFESA-N 348.487 4.493 0 40 EIAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)cn1 257202991 AOECSEDJCIWSOZ-GOSISDBHSA-N 345.446 4.033 0 40 EIAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2ccsc2)CC1 257339884 ZDOVASCPMQMYGL-UHFFFAOYSA-N 326.874 4.052 0 40 EIAB Cc1ccccc1-c1cc(C(=O)NC[C@H]2CCCO2)c2ccccc2n1 68284 PWVLWJGEZIMKGP-MRXNPFEDSA-N 346.430 4.119 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 290109 FWBMUPNXHQHQMN-NVXWUHKLSA-N 336.435 4.192 0 40 EIAB C[C@]12C[C@H](NC(=O)N1Cc1ccccc1)c1cc(Cl)ccc1O2 427442 RLTCGGPMJODAEL-YJBOKZPZSA-N 328.799 4.105 0 40 EIAB CCOc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 516115 NHDLJELKVZLAOA-UHFFFAOYSA-N 333.391 4.103 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC 3565469 NYEGWDHJYKAFON-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB O=C(CSc1ncnc2sccc12)c1c[nH]c2ccccc12 3571478 WVNUEDGAXOWSAI-UHFFFAOYSA-N 325.418 4.148 0 40 EIAB Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 4033251 BYSRPXRULVBPQW-GFCCVEGCSA-N 325.799 4.045 0 40 EIAB Cc1ccccc1Cn1cccc(C(=O)Nc2c(C)cccc2C)c1=O 5269200 PZXLEWMPYVEPGW-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(C)cc1 5545815 JBDPFVDFISLLNK-MRXNPFEDSA-N 335.451 4.370 0 40 EIAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 5788602 JTFAPYUEBOLXAA-HSROGRKHSA-N 333.516 4.176 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 6406098 HNYKKSIXBFXLEN-UHFFFAOYSA-N 329.705 4.376 0 40 EIAB Cc1ccccc1CN(C)[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 6508825 ISVHPCPXQSCKQP-DYESRHJHSA-N 336.479 4.009 0 40 EIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@@H](C)C1 7385897 WWCZZUCBFHITNR-UTUOFQBUSA-N 329.271 4.298 0 40 EIAB COc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1 7844795 GNUZRUIIHGYBCJ-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 8040628 VINWOCPFSAPAJJ-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](C)c1ccccc1 8303874 PXUFBLJPXXRUFR-HNNXBMFYSA-N 333.435 4.023 0 40 EIAB Nn1c(SCCCc2ccccc2)nnc1-c1ccc(Cl)cc1 8659266 YKEDNYRGSMVGMQ-UHFFFAOYSA-N 344.871 4.037 0 40 EIAB CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C 8753056 CEWPTAYMEWANIJ-YWZLYKJASA-N 338.451 4.203 0 40 EIAB O=C([C@@H](Nc1ccc(N2CCCC2)cc1)c1ccccc1)N1CCCC1 9549300 IDZNIACNFGLHHM-NRFANRHFSA-N 349.478 4.062 0 40 EIAB CCOc1cccc2sc(NC(=O)Cc3ccc(C)c(C)c3)nc12 10702460 XUBXJGNPVKKFGP-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 11055846 UJNHARGQKSYQGH-CYBMUJFWSA-N 340.448 4.176 0 40 EIAB Clc1ccc(Nc2nn3c(-c4cccs4)nnc3s2)cc1 12375005 NFOIQKBGNQKSNK-UHFFFAOYSA-N 333.829 4.311 0 40 EIAB Cc1cc(NC(=O)c2oc3ccc(Br)cc3c2C)no1 12808482 WCASMPGKTMEHCC-UHFFFAOYSA-N 335.157 4.052 0 40 EIAB CC(C)N(Cc1ccccc1)Cn1c(=O)oc2cc(Cl)ccc21 12993602 PICVARVJEUJLDU-UHFFFAOYSA-N 330.815 4.116 0 40 EIAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)c1ccc(Cl)cc1 13058419 PEMSPHAPSTWOPO-OAHLLOKOSA-N 342.870 4.278 0 40 EIAB Oc1cccc2ccc(CC(O)(c3ccccc3)c3ccccc3)nc12 13207975 LDZOSUAXJBLVNW-UHFFFAOYSA-N 341.410 4.419 0 40 EIAB Cc1cccc(Oc2ccc(NC(=O)COc3cc(C)on3)cc2)c1 14125180 WNEKKIYYQLMLNJ-UHFFFAOYSA-N 338.363 4.101 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCC2=O)cc1 15431923 WDVNNMIOZUTSHB-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2cc3cccc(OC)c3o2)cc1 20459727 DKTVKPGTUFDNLH-ZDUSSCGKSA-N 339.391 4.331 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(OC)cc1 23649755 HGDRWPKYMYRBCS-UGSOOPFHSA-N 347.842 4.383 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)/C=C/c1ccccc1 24839149 NZCSSHLVFXEEBB-RDRICISKSA-N 341.432 4.426 0 40 EIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(C)sc1C 25275491 ZHPDZSLMGYKIQK-UHFFFAOYSA-N 345.424 4.060 0 40 EIAB O=C(CNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 27461071 PKIGYNKROZSHGA-UHFFFAOYSA-N 339.778 4.213 0 40 EIAB COc1ccc2cc(COC(=O)Cc3cccs3)c(Cl)nc2c1 28136412 OBOFYRKBQHQFGC-UHFFFAOYSA-N 347.823 4.244 0 40 EIAB COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OC 28539859 FGXKGXPGBXPAAC-UHFFFAOYSA-N 333.185 4.010 0 40 EIAB COc1ccc(OC)c(NC(=O)c2csc(-c3ccsc3)n2)c1 29633256 UKMHTCXCIXSDIU-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB Clc1ccc(-c2nc(COc3ccc4c(c3)OCO4)co2)cc1 30496939 BVOMWMPZJSVVGD-UHFFFAOYSA-N 329.739 4.303 0 40 EIAB COc1ccc2ccccc2c1CNC(=O)c1ccc(F)cc1F 31187851 VRUOHMNYUGUOCL-UHFFFAOYSA-N 327.330 4.057 0 40 EIAB Cc1[nH]c(SCc2noc(CC(C)C)n2)nc1Cc1ccccc1 31439789 OUHOZRSQZKNLLP-UHFFFAOYSA-N 342.468 4.183 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 32802922 CRKRTCGKYSQMRO-JSGCOSHPSA-N 332.341 4.088 0 40 EIAB CC(C)CCC[C@H](C)NC(=O)N[C@@H](c1ccccc1)c1nccn1C 32809232 PYMUASBZNSYIDF-WMZOPIPTSA-N 342.487 4.024 0 40 EIAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(C(C)C)cc1 36127391 GXJRKEFKKLRLEN-OAQYLSRUSA-N 337.463 4.300 0 40 EIAB COc1ccc2[nH]cc(C(=O)c3ccccc3Br)c2c1 37364299 GJYMDBGHKGMBLX-UHFFFAOYSA-N 330.181 4.170 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cn1 40134137 GZLOBTMYRQBWSV-UHFFFAOYSA-N 349.459 4.267 0 40 EIAB COCCN(Cc1ccsc1)C(=O)C1(c2cccs2)CCCC1 42382202 IIGBVJAMMCPZIR-UHFFFAOYSA-N 349.521 4.297 0 40 EIAB CC(C)(C)c1cc(Br)ccc1OC[C@H]1CCCNC1 42774668 JAXODGNNAZPDAG-LBPRGKRZSA-N 326.278 4.125 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)s1 43277671 KYSBWFVRQSQXQL-UHFFFAOYSA-N 343.471 4.485 0 40 EIAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(OC(F)F)cc1 44617034 WCYIHFACIPXIDD-SNVBAGLBSA-N 348.374 4.389 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)SCc1ccccc1 57677908 DAVJCYMUUBICMT-IRXDYDNUSA-N 327.493 4.446 0 40 EIAB O=C(Nc1[nH]ncc1-c1cccc(Cl)c1)c1cc(F)cc(F)c1 58016368 NSLUCUPHTWAMCL-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB Cc1nnc(SCc2c(C(=O)NC(C)C)oc3ccccc23)s1 58263963 CJYABPODJHQKGY-UHFFFAOYSA-N 347.465 4.023 0 40 EIAB Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1CCO 65381341 NDQHQYPJKVXQGG-UHFFFAOYSA-N 345.402 4.173 0 40 EIAB CSc1ccc(C)c(C(=O)Nc2ccc(-c3nnco3)cc2C)c1 67722931 VCZOUROVXSDMFK-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1c1ccccn1 69516328 JNCZHBRKJRKJJB-DOTOQJQBSA-N 348.368 4.481 0 40 EIAB Cc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c(N)c1 70462912 FBNFSGHYYKZLHF-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC(C)CC1 71857088 XKEDSWUTUCLGGH-UHFFFAOYSA-N 342.468 4.200 0 40 EIAB O=C(NCC[C@@H](O)c1cccs1)Nc1cccc(C(F)(F)F)c1 77116115 FMUKOOZRMRBXCH-GFCCVEGCSA-N 344.358 4.012 0 40 EIAB CN(C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C1CCCCCC1 83855630 VRYUQGGFWFTTOS-MOPGFXCFSA-N 348.462 4.410 0 40 EIAB S=C(NCCc1ccccc1)N[C@H]1CCc2c(Cl)cccc21 84529098 VMBQFNJKANRYDB-KRWDZBQOSA-N 330.884 4.034 0 40 EIAB C[C@@H]1CCN(C(=O)c2occc2Br)CC12CCCCC2 95943433 YNJIPVCCOGCCII-GFCCVEGCSA-N 340.261 4.475 0 40 EIAB Cc1cc(C(=O)Nc2ccn(C)n2)sc1-c1cccc(Cl)c1 102221900 JMZAUAFBFYBBEB-UHFFFAOYSA-N 331.828 4.363 0 40 EIAB Cc1cnccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 107287418 IQSTUJRABSXPGT-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CC(C)n1cnnc1C1CCN(Cc2cccc(F)c2Cl)CC1 195558012 NTRYOKKZLNGAPV-UHFFFAOYSA-N 336.842 4.031 0 40 EIAB CC(C)(C)NC(=O)CCC(=O)NC1CCCCCCCCCCC1 199427462 GMPCVSRERGADNH-UHFFFAOYSA-N 338.536 4.471 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(OC)c1 216389261 DAQLRJXCHMYUMM-OAHLLOKOSA-N 343.423 4.035 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCc1ccccc1 223005643 GNSIYFIDCASKQW-SFHVURJKSA-N 331.843 4.165 0 40 EIAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2)c(C)c1 224265915 YNQGXILECUDOKU-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cccc(Cl)c1 224642952 OETYNEXLTAVALU-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB CCCCc1ccc(C[C@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225128927 MQLNPJOWIPTBKP-IBGZPJMESA-N 328.408 4.113 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225162392 ULKFTQFSKJIHHQ-UHFFFAOYSA-N 340.448 4.134 0 40 EIAB Cc1cc(N2CCNCC2)c2cccc(Sc3ccccc3)c2n1 225322228 DRVSTNCVDFDXMO-UHFFFAOYSA-N 335.476 4.104 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)NC2CCCCCCC2)cc1 225776507 JBGYNHLHVVOVSR-UHFFFAOYSA-N 329.469 4.356 0 40 EIAB Cc1nc(C2CC2)sc1C(=O)Nc1ccc(F)cc1OC(F)F 390833926 OVRPEBPOEZRXDR-UHFFFAOYSA-N 342.342 4.322 0 40 EIAB CCc1nc2ccc(C(=O)NCc3cncc(C4CC4)c3)cc2s1 575618597 DAWZFLSIGDKJTL-UHFFFAOYSA-N 337.448 4.061 0 40 EIAB c1ccc(-c2cnc(Nc3cc(C4CCNCC4)ccn3)s2)cc1 585263317 VORQSCIEECFIJZ-UHFFFAOYSA-N 336.464 4.416 0 40 EIAB O[C@@H]1[C@@H](NCC2CCCCC2)CCC[C@H]1Oc1ccc(Cl)cc1 585289552 RLBDHHRJHXETJK-IPMKNSEASA-N 337.891 4.171 0 40 EIAB Cc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 422930 YNGAATVRGZSMNI-CRAIPNDOSA-N 328.799 4.418 0 40 EIAB CCOc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 574009 HTEACBRWSCGDSF-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB CCOC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 1376429 TWXVMKGVUOOWQQ-UHFFFAOYSA-N 330.453 4.333 0 40 EIAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(F)cc1 1396716 KUAUBJPNAXNCRL-UHFFFAOYSA-N 329.705 4.398 0 40 EIAB CCCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC=O 2129445 WHIMUSDZYIDZJW-UHFFFAOYSA-N 343.404 4.103 0 40 EIAB biogenic CCCSc1nc2sc3c(c2c2nncn12)C[C@@](C)(CC)OC3 2381998 RPIAIAQGDHOATB-MRXNPFEDSA-N 348.497 4.083 0 40 EIAB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2c(C)noc2C)cc1 3319148 BNVVGJVAVREBMW-UHFFFAOYSA-N 349.386 4.188 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 5268309 OGORYYCAVYYLTO-UHFFFAOYSA-N 330.359 4.270 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)CCC[C@H]1C 6250084 UFQWQGQEWQONBQ-TVFCKZIOSA-N 336.520 4.126 0 40 EIAB C[C@H]1CCCC[C@@H]1NCC(=O)NC(c1ccccc1)c1ccccc1 6587636 GGOGYURSJVAMOY-PXNSSMCTSA-N 336.479 4.061 0 40 EIAB Cc1nc2nc(SCc3ccccc3)[nH]c2cc1Br 6825116 MKGVSIUIFOJTDF-UHFFFAOYSA-N 334.242 4.321 0 40 EIAB O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1cc2ccccc2o1 8071218 XVPMALQJJUOXKD-UHFFFAOYSA-N 348.280 4.186 0 40 EIAB COc1ccc(NC(=O)CSc2ccc(F)c(Cl)c2)cc1 8403608 WGCUGLCYYDHPSG-UHFFFAOYSA-N 325.792 4.219 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC1CCCCCC1 11430137 LUUMBGHMOLGKEZ-UHFFFAOYSA-N 348.393 4.391 0 40 EIAB CSc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 12602637 APTUASQDFNPJTA-JTQLQIEISA-N 344.461 4.094 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12761313 HJEKIHWUYZBPMJ-INIZCTEOSA-N 343.810 4.089 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1ccc(F)cc1 14899854 RIBAAOVMWBKFPW-CYBMUJFWSA-N 338.382 4.209 0 40 EIAB Cc1cc(C)n(C2CCN(Cc3cnn(C4CCCCC4)c3)CC2)n1 19658069 PBDZOEFLAOMQLJ-UHFFFAOYSA-N 341.503 4.039 0 40 EIAB O=C(O)Cc1sc(Nc2ccccc2F)nc1-c1ccccc1 19894574 TYZUUVLBUBIBGD-UHFFFAOYSA-N 328.368 4.320 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)c(C)c1 20487486 OERDXXJLQUTKMI-GOSISDBHSA-N 336.479 4.390 0 40 EIAB CC(C)[C@@H](NCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccccc1 29189513 IURNGNITQVFCSJ-GOSISDBHSA-N 347.418 4.156 0 40 EIAB CC(=O)c1cc(-c2ccnc(N3CCc4ccccc43)n2)c(C)nc1C 30874235 JUIZFSOXOCXUHR-UHFFFAOYSA-N 344.418 4.052 0 40 EIAB COc1ccc(C(C)=O)cc1CN(C)Cc1nc2ccccc2s1 32751502 VNRTZVBNJJWZMF-UHFFFAOYSA-N 340.448 4.140 0 40 EIAB O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(F)c1 32915082 OMWPEOUOZONXFP-UHFFFAOYSA-N 339.366 4.066 0 40 EIAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N)c1 37768705 SKCPPARBSBFELL-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB CCSc1nnc(SCC(=O)N(CC)C2=CCCCC2)s1 39976033 KIEZLARYKSLEHQ-UHFFFAOYSA-N 343.543 4.049 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)C2CC2)cc1Cl 40526879 MHQMBVXRWPITOJ-UHFFFAOYSA-N 347.802 4.088 0 40 EIAB CCNc1ncc(C(=O)Nc2ccc(Cl)cc2F)cc1Cl 50790578 IBCRQIBIMAAPPI-UHFFFAOYSA-N 328.174 4.212 0 40 EIAB Cc1cc(C(=O)N(C)c2ccc3ccccc3c2)c2c(C)nn(C)c2n1 55416018 QBHWKNUMLQBHPE-UHFFFAOYSA-N 344.418 4.015 0 40 EIAB O=C(NCc1ccncc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 58327893 BAPKSPURJNJYLC-HOTGVXAUSA-N 349.459 4.058 0 40 EIAB Cc1ccc2c(CN3CCC[C@H]3c3ccc(O)cc3)cc(=O)oc2c1 58424497 CXFYSSWGYPELFQ-IBGZPJMESA-N 335.403 4.144 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61115076 QXCHXGZWUFZBRD-UHFFFAOYSA-N 347.462 4.129 0 40 EIAB S=C(NCCc1ccccc1)N[C@@H]1CCc2c(Cl)cccc21 63790847 VMBQFNJKANRYDB-QGZVFWFLSA-N 330.884 4.034 0 40 EIAB COc1ccc(-c2cc(-c3ccccc3Cl)nc(N)n2)cc1OC 71977806 JQKIULWIUIYUFO-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2Cc2ccccc2)n1 72354559 FKLGIOCHOJRNQN-IBGZPJMESA-N 348.425 4.202 0 40 EIAB COc1cc2nc(COc3ccccc3C(C)C)[nH]c2cc1OC 76555539 AONUMYBKUHXYFX-UHFFFAOYSA-N 326.396 4.283 0 40 EIAB Cc1nc(NC2CCOCC2)c2c(-c3ccccc3)csc2n1 76871115 PRVFQEQXQXYGQB-UHFFFAOYSA-N 325.437 4.258 0 40 EIAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@@H]2CCC[C@@H]21 81548863 YDLSQDWRHIWYKT-GUYCJALGSA-N 337.423 4.019 0 40 EIAB COc1ccc(C(=O)[C@H](c2ccccc2)N2CCCCC2)cc1F 96474904 SXHBPRVNDOTGQA-IBGZPJMESA-N 327.399 4.244 0 40 EIAB Clc1cccc(Cl)c1[C@@H]1C=C(c2ccccc2)Nc2nnnn21 101113147 QYZPBYGJLFEBSC-AWEZNQCLSA-N 344.205 4.036 0 40 EIAB C[C@H](N[C@H](c1ccccc1)c1ccco1)c1ccc([S@](C)=O)cc1 108112419 DUAPMYXHDMWETO-PFTWBPNJSA-N 339.460 4.457 0 40 EIAB Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 169678390 SPTDNUYDNPCVID-NJVJYBDUSA-N 329.490 4.397 0 40 EIAB O=C(Nc1cccc(OC(F)F)c1)c1ncc(-c2ccccc2)o1 206585999 XKTUZAZFYJFHCN-UHFFFAOYSA-N 330.290 4.195 0 40 EIAB O=C(NCc1ccnc(-c2cccs2)c1)Nc1c(F)cccc1F 225652708 BTHJKBYSLUJNEK-UHFFFAOYSA-N 345.374 4.410 0 40 EIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)c2ncccc12 225906130 ICIJPYVQWVGGTE-IBGZPJMESA-N 330.428 4.167 0 40 EIAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc2c1 248382680 XSTKPWRQUPPZCW-LUKYLMHMSA-N 339.483 4.053 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c1 408546093 QNEPAYLUVMENLO-CQSZACIVSA-N 330.387 4.136 0 40 EIAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@H]2C12CC2 408758366 JFKCSDYZOZJPJX-LFGUQSLTSA-N 341.410 4.055 0 40 EIAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2sccc2C)S1 408815783 UNTXPJWWDUWEFR-UHFFFAOYSA-N 345.469 4.137 0 40 EIAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccncc3)ccc12 61388 RDEALHQPLYZRQG-UHFFFAOYSA-N 346.415 4.193 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 77622 WOKYWROWSGOHHJ-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=C(O[C@@H]1CSc2nc3ccccc3n2C1)c1ccccc1Cl 243223 UDVLWKKMRNMTJO-NSHDSACASA-N 344.823 4.021 0 40 EIAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1nc2ccccc2s1 564143 GKZCFPFWFSFOAM-HNNXBMFYSA-N 330.409 4.214 0 40 EIAB CC(=O)O[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1 1345170 XQVVCNBONUFDKD-HNNXBMFYSA-N 344.238 4.047 0 40 EIAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@H]3CC[C@@]21C 1639672 WVBCLXPZFRTXNR-CKABRWCPSA-N 334.431 4.152 0 40 EIAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 3245793 HEXMVSYYYIISCM-SNVBAGLBSA-N 344.238 4.444 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Br)c1 3334524 HXQSWNZTRYNMHL-MRXNPFEDSA-N 330.225 4.257 0 40 EIAB COc1ccccc1-c1nnc(Nc2nc3ccc(F)cc3s2)o1 4137792 NMTKKMKEJNGSOP-UHFFFAOYSA-N 342.355 4.238 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 5443427 XROILGGUIBOSJL-SNVBAGLBSA-N 342.197 4.216 0 40 EIAB CCCCCCc1c(O)ccn(CCc2c[nH]c3ccccc23)c1=O 6592052 XSBSUSVQEFJBKP-UHFFFAOYSA-N 338.451 4.401 0 40 EIAB O=C(CCc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 6864146 FHLZDIXRVCTDPO-UHFFFAOYSA-N 328.721 4.325 0 40 EIAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCCC2)cc1 7464130 KAEWJJNYNXNJFP-UHFFFAOYSA-N 339.508 4.077 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(Cl)ccc1F 7522926 ZSABSNFTXCKOPI-UHFFFAOYSA-N 345.757 4.309 0 40 EIAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 7595531 ZSEVBLZCGZVHMN-UHFFFAOYSA-N 344.414 4.308 0 40 EIAB Cc1ccccc1CN(C)Cc1nc(-c2ccc(Cl)cc2)no1 7680845 QJRNVYGRYUVEGK-UHFFFAOYSA-N 327.815 4.330 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(Br)c2)cc1 8104193 HPDKIJAIORLCFG-UHFFFAOYSA-N 337.242 4.267 0 40 EIAB O=C(CSCc1cccs1)Nc1nc(-c2ccccn2)cs1 9657324 WBAHIAGVGJVSRU-UHFFFAOYSA-N 347.490 4.139 0 40 EIAB O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503764 VFZRNYIBDZQIJV-CYBMUJFWSA-N 339.826 4.236 0 40 EIAB COc1ccc(CN2Cc3cc4c(C)ccc(C)c4nc3OC2=O)cc1 12236766 XEUSVGALEVZLHL-UHFFFAOYSA-N 348.402 4.375 0 40 EIAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 12573109 HHGCKHHCZAOPSU-TZIWHRDSSA-N 345.377 4.463 0 40 EIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1F 12744994 HIVUIDVVQKPCNT-UHFFFAOYSA-N 335.382 4.061 0 40 EIAB FC(F)Oc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 12946336 UGSZCKLZSPPSDO-UHFFFAOYSA-N 339.411 4.017 0 40 EIAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2)cc1 12984875 OAEGFEMXXSRMRH-FQEVSTJZSA-N 338.451 4.251 0 40 EIAB COc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 13688260 CITXGSKBZVNKAR-UHFFFAOYSA-N 345.442 4.410 0 40 EIAB O=C(CCc1ccco1)N1CCC[C@@H]1c1nc2ccccc2s1 14200002 VQZJLWMZSOLNSJ-OAHLLOKOSA-N 326.421 4.186 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 14209308 XFHWAQJDIAHPLG-INIZCTEOSA-N 333.840 4.313 0 40 EIAB c1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 15080781 LGHHYOKEAPUESL-UHFFFAOYSA-N 336.464 4.321 0 40 EIAB CCOc1c(Cl)cc(C(=O)NCCc2ccccc2C)cc1OC 15516838 XYBTWGDHFDWSJO-UHFFFAOYSA-N 347.842 4.028 0 40 EIAB CC1(C)CC(O)CC(C)(C)N1C(=O)Nc1cccc2ccccc12 16577753 GSSBVXFVQHNPAW-UHFFFAOYSA-N 326.440 4.386 0 40 EIAB COc1ccc([C@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1 20486226 DBHBVQKSOBUYPA-INIZCTEOSA-N 327.424 4.040 0 40 EIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCCCCC1 22245402 YQLRDACOQJITGA-UHFFFAOYSA-N 329.469 4.236 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1C 23389795 JYQBSDYPHHLZLT-UHFFFAOYSA-N 345.342 4.003 0 40 EIAB CCC[C@@H](C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 24348520 CTYCVTCPTXYFKF-FZKQIMNGSA-N 348.537 4.062 0 40 EIAB Cc1noc(C)c1CCC(=O)NC1CCC(c2ccccc2)CC1 25098579 GQWGYNWEVYXOMK-UHFFFAOYSA-N 326.440 4.067 0 40 EIAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27663933 MIHUQSXSUJXUJU-KRWDZBQOSA-N 328.481 4.014 0 40 EIAB CCOCc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(F)cc1 28347674 KUEONYWXOQOFHA-OAHLLOKOSA-N 344.430 4.265 0 40 EIAB Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 32611648 NPUZPNFNXHXSNB-UHFFFAOYSA-N 333.453 4.114 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1 44885690 CRQNCZJALJBJBB-KRWDZBQOSA-N 331.843 4.246 0 40 EIAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cccc(Cl)c1 45889008 PDWQNYFIMOODCF-UHFFFAOYSA-N 331.828 4.401 0 40 EIAB Cc1cc(-n2cnnc2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 45920604 LNCKAXUGTYNEPK-UHFFFAOYSA-N 334.379 4.213 0 40 EIAB Cc1cc(NC(=O)[C@H](Sc2nc(C)c(C)o2)c2ccccc2)no1 47558915 PUKKXDSLKUZIRG-OAHLLOKOSA-N 343.408 4.060 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=N)oc12 67341966 FDAJSTOBHLLCTE-UHFFFAOYSA-N 342.782 4.135 0 40 EIAB O=C(CCc1ccccn1)N1Cc2ccccc2[C@H](c2ccccc2)C1 68732286 ABXBEZHMMFSXLM-QFIPXVFZSA-N 342.442 4.189 0 40 EIAB O=C(NCc1csc(C2CC2)n1)c1ccccc1OC1CCCC1 69753076 ZTTMJSJMXOQFPS-UHFFFAOYSA-N 342.464 4.272 0 40 EIAB Brc1ccc2cc(I)ccc2c1 71256881 VYMNCOOEVDIPTL-UHFFFAOYSA-N 332.966 4.207 0 40 EIAB COc1ccc(NC2=NC(=O)S/C2=C\c2c(C)noc2C)cc1 71285833 JVLCXLXPVBKIEI-ZSOIEALJSA-N 329.381 4.018 0 40 EIAB C[C@H](c1cccnc1)N(C(=O)Nc1ccccc1OC(F)F)C1CC1 71921450 DMWUJBRYDPGYAQ-GFCCVEGCSA-N 347.365 4.441 0 40 EIAB CSC[C@H](C)N(C)Cc1cccc(CN(C)[C@@H](C)CSC)c1 72290427 QTDYXQVFJCIBQA-HOTGVXAUSA-N 340.602 4.053 0 40 EIAB CCOc1ccc(-c2[nH]ncc2C(=O)N2CCCCCC2)cc1Cl 72328708 CBYGIKBFTUPEPC-UHFFFAOYSA-N 347.846 4.145 0 40 EIAB COc1cccc([C@H](C)Sc2nc(-c3ccccc3F)n[nH]2)c1 75093662 QQTGQVCGPXZCKR-NSHDSACASA-N 329.400 4.473 0 40 EIAB O=C(CSc1ccncc1)Nc1scnc1-c1ccc(F)cc1 76174155 LEGNZUILWVNNRI-UHFFFAOYSA-N 345.424 4.075 0 40 EIAB CC[C@H](CCSc1ccccc1)NC(=O)c1cccc(OC)c1 80345891 WVJXHUCBJUUYQQ-MRXNPFEDSA-N 329.465 4.386 0 40 EIAB CC(C)n1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)n1 84633210 WRYKMAICWFONMM-UHFFFAOYSA-N 327.762 4.029 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccccc2C(F)(F)F)C1 89223599 SDGOCRMKEGPFHU-LBPRGKRZSA-N 344.377 4.374 0 40 EIAB COc1cccc(CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)c1 89609024 BHYBGKYNWKWJBX-UHFFFAOYSA-N 337.419 4.259 0 40 EIAB NC(=S)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 95929426 BUSXQPGPBCDEQR-UHFFFAOYSA-N 347.749 4.202 0 40 EIAB O[C@H]1CCCC[C@@H]2[C@H]1[C@@H](c1cccc(F)c1)CN2Cc1ccccc1 95951702 SETGIDMDBVUFBQ-YUMYIRISSA-N 339.454 4.345 0 40 EIAB Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C)c1nccs1 97113499 WTBYUYJSDLLVNG-LBPRGKRZSA-N 342.424 4.032 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 113969761 XDPNRLFVNYKOJJ-HXUWFJFHSA-N 341.451 4.122 0 40 EIAB C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccsc1 195564828 GDMSEECWCKZBHA-FHLIZLRMSA-N 344.480 4.071 0 40 EIAB O=S(=O)(Oc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 196697097 MJWOGFWWECHPPM-UHFFFAOYSA-N 337.611 4.415 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 216293858 BUMDXGFINDUWSY-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccc(C)cc1 224463532 LXSZOUVKSDBBQT-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCC(C)C)n1 225204873 SZMGPPASIXRYBD-UHFFFAOYSA-N 347.463 4.000 0 40 EIAB O=C(NC[C@@H](O)c1csc2ccccc12)c1ccc(Cl)s1 225692357 JMHLLASMDQWJQO-LLVKDONJSA-N 337.853 4.080 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1Cl 225726118 HTAZQOYVVRUKPM-KRWDZBQOSA-N 325.836 4.273 0 40 EIAB Fc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1F 225860706 NLRBTVWRLABXBH-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H]1c1ccccc1 257222704 DUKCEKFRKWXVJG-INIZCTEOSA-N 339.826 4.273 0 40 EIAB Cc1cccc(CSCCNC(=O)/C=C/c2ccc(F)cc2)c1 408922519 OUCLIHSRBYRQPB-JXMROGBWSA-N 329.440 4.197 0 40 EIAB Cn1c2ccccc2n2c(SCc3cnc4ccccc4c3)nnc12 539709485 QPURHTKIMLNAIE-UHFFFAOYSA-N 345.431 4.062 0 40 EIAB CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)c1 565322017 LDEXAXQTYJEBKM-SFHVURJKSA-N 341.459 4.013 0 40 EIAB O=C(Nc1ccc(NCCC[C@H]2CCO2)cc1)N1CCCCCC1 585117847 ZWCGNGBEIPRRHC-SFHVURJKSA-N 331.460 4.076 0 40 EIAB C[C@@H]1CC(c2ccc(Cl)cc2)=NN([C@H](C)c2ccncc2)C1=O 634627154 WLSSOKLUTNTFPJ-CHWSQXEVSA-N 327.815 4.069 0 40 EIAB COc1ccccc1NC(=O)CSc1nc2ccccc2s1 181621 XYLJDLGREVWWAS-UHFFFAOYSA-N 330.434 4.036 0 40 EIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(C)C)cc1 525998 IHKLLBPTDNVQNQ-SFHVURJKSA-N 327.380 4.108 0 40 EIAB biogenic Cc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 532669 VXUIMRCMXAJFSU-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1 1722863 RIXWRVFPTQHSRO-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1Cl 1972477 HBLDALRUYXYYDG-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Cc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3nnnc3N2)cc1C 2919595 GWQMUBOAGAWECO-IAGOWNOFSA-N 339.830 4.090 0 40 EIAB CCCCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 3115023 BJQSIAIAAUXUCW-QGOAFFKASA-N 339.366 4.349 0 40 EIAB COC(=O)c1ccsc1NC(=O)c1ccc(-c2ccccc2)cc1 4281335 FQQZWLGQJCWNSS-UHFFFAOYSA-N 337.400 4.454 0 40 EIAB Cc1ccc(C2=N/C(=C\c3ccc(Br)s3)C(=O)O2)cc1 4471792 ZKBIVNSOOWTYRB-WQLSENKSSA-N 348.221 4.164 0 40 EIAB CC[C@H](C)N[C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5476772 SYOCBNWEFSCYBH-KXBFYZLASA-N 349.430 4.495 0 40 EIAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cn1 6402590 YLLPQFJGUVGSPG-UHFFFAOYSA-N 349.272 4.389 0 40 EIAB O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1ccc(F)cc1Cl 6480196 FLJMTVZEJAXLSI-NTUHNPAUSA-N 336.775 4.044 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)CSc1c(Cl)cccc1Cl 6847779 ITMYSBKBCJWUJU-UHFFFAOYSA-N 344.267 4.075 0 40 EIAB O=C(c1cc(-c2csc(-c3ccc(F)cc3)n2)c[nH]1)N1CCCC1 8232332 WHKLXJFUYAMWGQ-UHFFFAOYSA-N 341.411 4.180 0 40 EIAB COc1ccc2cc(CN[C@H](C)c3ccc4c(c3)OCCO4)ccc2c1 8728632 XYVFZDGEXMQRIO-OAHLLOKOSA-N 349.430 4.470 0 40 EIAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1C 9374747 GQFPTEKNIFCCLN-UHFFFAOYSA-N 334.419 4.006 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCCC2)cc1 10368783 IOFJSJFMUSROQN-UHFFFAOYSA-N 328.843 4.497 0 40 EIAB Cc1ccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)cc1 12016675 LHNZNRVVUHKGFC-UHFFFAOYSA-N 335.432 4.183 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCCN(C)c1ccccc1 12586920 QFYVLQAAQURFED-UHFFFAOYSA-N 348.446 4.105 0 40 EIAB CSc1ccc2cc(CS[C@H](C)C(=O)O)c(Cl)nc2c1 12764685 QVGXEXGDMPTODB-MRVPVSSYSA-N 327.858 4.316 0 40 EIAB Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)c(F)c1 12766372 RPHNLOVRRKGKED-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1nc2cc(NC(=O)Cc3nc(-c4ccccc4)oc3C)ccc2[nH]1 12793598 XHNZHCYNDCKYHE-UHFFFAOYSA-N 346.390 4.016 0 40 EIAB CCCC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12916636 LRIYHICFINMCNE-UHFFFAOYSA-N 344.358 4.371 0 40 EIAB O=C1c2cc3c(cc2C[C@@]12Cc1cc4c(cc1C2=O)CCC4)CCCC3 17254894 PHWUFKHFRXEWRQ-XMMPIXPASA-N 342.438 4.218 0 40 EIAB CCCN(CCC)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17271710 DQFUZVLWIXBGBO-UHFFFAOYSA-N 343.862 4.404 0 40 EIAB CC(C)COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20142052 OOSOAMPJUNEVGB-UHFFFAOYSA-N 347.798 4.325 0 40 EIAB O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2ccccc21 20244023 QRWSPZKNYHKHPY-FQEVSTJZSA-N 330.387 4.120 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C)ccc1OC 20458886 LWKLTCZMEFWJJO-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB CC[C@H](C(=O)NCc1ccccc1CN1CCCC1)c1ccccc1 22696716 FTNGLBYJDHNKIB-NRFANRHFSA-N 336.479 4.092 0 40 EIAB Cc1cccc(Cn2cc(NC(=O)c3ccc(OC(C)C)cc3)cn2)c1 28574470 XIWXAGJNCUYSFC-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB Clc1nc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]cnc2n1 35966056 WWLHJEMGMGWORO-UHFFFAOYSA-N 349.825 4.213 0 40 EIAB CCCCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 36392922 VAYUWNYSUKKYKS-UHFFFAOYSA-N 328.412 4.188 0 40 EIAB CC(C)(C)OC(=O)N1[C@@H](Cc2c[nH]c3ccccc23)COC1(C)C 38317480 YETTVRMOCAVXCG-AWEZNQCLSA-N 330.428 4.082 0 40 EIAB O=C(Nc1cccnc1Oc1ccccc1)c1cc(F)cc(F)c1 40087994 KYZJFKGOYZIVAT-UHFFFAOYSA-N 326.302 4.404 0 40 EIAB COc1ccc(-c2csc(NC(=O)COC3CCCCC3)n2)cc1 40140378 LKKLOUAHLQHLOX-UHFFFAOYSA-N 346.452 4.107 0 40 EIAB CCN(C(=O)c1cccc(N2CCCC2=O)c1)c1cc(C)ccc1C 45517350 VCDRRBBVELFLHK-UHFFFAOYSA-N 336.435 4.097 0 40 EIAB COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 48373869 GTDLGLUBDQCVGG-VIFPVBQESA-N 338.816 4.071 0 40 EIAB C[C@H](c1ccccc1Cl)N(Cc1cccc(C(N)=O)c1)C1CC1 54176044 MHTSNRFJYLDTEK-CYBMUJFWSA-N 328.843 4.165 0 40 EIAB CCN(CC)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 57498065 UAXBMAKVYSUMTM-UHFFFAOYSA-N 347.462 4.389 0 40 EIAB CC(C)c1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 57774892 HATMCELTYJHKRK-UHFFFAOYSA-N 334.467 4.461 0 40 EIAB c1ccc(-c2nnc(SCc3ccn(-c4ccccc4)n3)o2)cc1 58438907 QPMHRTFKYVOBJE-UHFFFAOYSA-N 334.404 4.215 0 40 EIAB O=C(OCc1cccc2ccccc12)c1ccc(-c2ccco2)[nH]c1=O 62335696 HXBKGHXOAZDFCJ-UHFFFAOYSA-N 345.354 4.145 0 40 EIAB Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1NS(C)(=O)=O 71902607 APFTUGUGNBOGAB-LBPRGKRZSA-N 338.860 4.193 0 40 EIAB CN(C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212627 NLDGTIRVEZWDRN-GOSISDBHSA-N 339.439 4.011 0 40 EIAB COc1ncc([C@H]2CCCCN2C(=O)OCc2ccccc2)cc1C 72217752 ARMSPLRFWPYDCC-GOSISDBHSA-N 340.423 4.262 0 40 EIAB CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccc2)n1 72379083 WCRMGQMGHXLGKM-IBGZPJMESA-N 332.451 4.167 0 40 EIAB COc1cc(N)ccc1NC(=O)c1sc2ccccc2c1Cl 73638475 NVDGWXSBNQZVFR-UHFFFAOYSA-N 332.812 4.398 0 40 EIAB C[C@H](c1ccccc1F)[S@@](=O)Cc1ccc(-n2cccn2)cc1 84660662 VKELPJQDFXQNSZ-QKFKETGDSA-N 328.412 4.021 0 40 EIAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 89818798 JXWHJJPHFGLNHC-LPEHRKFASA-N 348.394 4.037 0 40 EIAB Cc1ccsc1[C@H](C)N[C@@H](c1ccc(F)cc1)c1nccn1C 95419868 UQPFMVJBRHQYJZ-BBRMVZONSA-N 329.444 4.369 0 40 EIAB C[C@@]1(CCCO)CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 95454747 LTCUGAZLFMUJPV-SFHVURJKSA-N 334.847 4.122 0 40 EIAB Cc1ncc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c(C)n1 95464270 LLTRDGLTFVVBJF-UHFFFAOYSA-N 333.819 4.034 0 40 EIAB Cc1nc(C(C)C)c(-c2nn3c(-c4ccsc4)nnc3s2)s1 95473496 CQHHWFYVGHPFFG-UHFFFAOYSA-N 347.494 4.470 0 40 EIAB C[S@](=O)Cc1cccc(NCc2sccc2Br)c1 97378306 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325.408 4.353 0 40 EIAB COc1ccc(NC(=S)NC2(C)CCCCC2)c2cccnc12 225877673 WGAUJZIZVDLABG-UHFFFAOYSA-N 329.469 4.253 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226041284 REUZUSJPSLXXQE-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1ccc(-c2cscc2NS(=O)(=O)c2ccccc2)cc1 255187624 FRNDETFYMJVFNV-UHFFFAOYSA-N 345.445 4.225 0 40 EIAB CC(C)(C)C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257320282 VWAWUIMBKFEDKZ-INIZCTEOSA-N 330.403 4.114 0 40 EIAB O=C(NCc1cncc(C2CC2)c1)c1cc2cc(F)ccc2s1 575619606 KNVCSADBNAJLRS-UHFFFAOYSA-N 326.396 4.243 0 40 EIAB Clc1ccc(-c2cnc(CN3CCO[C@@H]4CCCC[C@H]43)o2)cc1 613450576 FYBQSDNNYKDTNR-HZPDHXFCSA-N 332.831 4.138 0 40 EIAB CC(C)CN1CCOc2ccccc2CCCCC2(CCNCC2)C1 1615080254 SYODAKQRXGGEEF-UHFFFAOYSA-N 344.543 4.120 0 40 EIAB COc1ccc(C(=O)NCc2cc(-c3ccsc3)cs2)cc1 1775969815 MBFPLHRYFCQKNZ-UHFFFAOYSA-N 329.446 4.415 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)CCCO3)OC2(CCCCC2)C1 2037843363 BZUSLXLWLCKRPD-UYAOXDASSA-N 343.467 4.071 0 40 EIAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1cccs1 55300 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COc1cc(Cl)c(C)cc1-n1c(SC)nc2ccccc2c1=O 3477774 TWHVPUFYPAUIMS-UHFFFAOYSA-N 346.839 4.078 0 40 EIAB COc1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1 3481811 LIGPJTKCHBBRRK-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4135030 NRHMWNNKJMFOTL-UHFFFAOYSA-N 336.391 4.082 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 5103186 OOOJRBBIACIAGS-UHFFFAOYSA-N 347.361 4.058 0 40 EIAB Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1 5698684 JKPXXCVTQGXPDI-XNTDXEJSSA-N 342.192 4.102 0 40 EIAB COC(=O)c1ccc(CSc2nnc(C3CCCCC3)o2)cc1 6374260 NNSYUACAWTUWIU-UHFFFAOYSA-N 332.425 4.196 0 40 EIAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 6606167 GZLATWZJFRKANA-UHFFFAOYSA-N 349.386 4.069 0 40 EIAB COc1ccccc1N(CC(=O)c1cccs1)C1=NCCCCC1 7276473 FKZMRAMUKGDQDO-UHFFFAOYSA-N 342.464 4.419 0 40 EIAB O=C(/C=C/c1ccccc1)OCc1nc(-c2ccc(Cl)cc2)no1 7339148 CDNSAFMNDMHTEF-IZZDOVSWSA-N 340.766 4.147 0 40 EIAB COc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(C)c1C 7616337 NSAWKFVYWDTJAI-JTQLQIEISA-N 335.835 4.060 0 40 EIAB Cc1c(C(=O)CSc2nnc(C)n2C2CC2)sc2ccccc12 9365065 AGTGMOIPNPXING-UHFFFAOYSA-N 343.477 4.420 0 40 EIAB O=S(=O)(NCCC1CCCCCC1)c1ccc2ccccc2c1 10543515 AUQWILWZSNDLEY-UHFFFAOYSA-N 331.481 4.479 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)c1ccccc1C(F)(F)F 12235388 YDFKMDHPQMLTOO-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cc2ccccc2o1 12540565 KASBZDMQRYUGCZ-CYBMUJFWSA-N 333.391 4.119 0 40 EIAB O=C(c1ccccc1)C1CCN(Cc2nc3ccccc3s2)CC1 14110428 LVLYMVMZEQHIBD-UHFFFAOYSA-N 336.460 4.391 0 40 EIAB COc1ccc(-n2ncc3c2C[C@H](c2ccccc2C)CC3=O)cc1 14164194 JVEPOULCCVICPA-HNNXBMFYSA-N 332.403 4.102 0 40 EIAB CN1CCN([C@H]2Cc3ccccc3Sc3cccc(Cl)c32)CC1 19802369 HCYCWVOZOUONBP-INIZCTEOSA-N 344.911 4.336 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 20455622 ATQZXIVBIOILJV-JKSUJKDBSA-N 349.430 4.493 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(C)cc2)cc1 20484633 SNKOTQSUNRGIHY-MRXNPFEDSA-N 343.492 4.233 0 40 EIAB CSc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1 22514181 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CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351948 SPMUKRMCCYBMAN-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NCCCOC2CCCC2)c1 60837158 ULYPGTMOEQHVPS-UHFFFAOYSA-N 346.418 4.341 0 40 EIAB COc1ccc(OC)c(NC(=O)/C=C/c2cc3cc(C)ccc3o2)c1 67339681 DTSBFNNDHLKGIO-RMKNXTFCSA-N 337.375 4.410 0 40 EIAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72358569 LTTYUSJKJMFKDN-HXUWFJFHSA-N 344.462 4.227 0 40 EIAB O=C(CSCc1ccccc1)N1CCC(c2cccs2)CC1 75157039 MGLUQBZZBNNZJW-UHFFFAOYSA-N 331.506 4.388 0 40 EIAB Cc1cnc([C@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C2CC2)s1 95409967 VEBXGJDGAOVGPP-MLGOLLRUSA-N 345.468 4.431 0 40 EIAB CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccc(F)cc1)CC2 96049273 KYRMAPXQTRTGMK-UHFFFAOYSA-N 346.490 4.076 0 40 EIAB Cc1ccc(CN2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)o1 96051556 IZFCZFJGNBCXDC-IBGZPJMESA-N 328.456 4.058 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)NCc1cccc(OC(C)C)c1 96415246 KTNVSPPOVJQUFW-LJQANCHMSA-N 341.455 4.162 0 40 EIAB C[C@H](NC(=O)N[C@H](C)c1ccncc1)c1ccc(-c2cccnc2)cc1 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0 40 EIAB CC(C)c1nsc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 301537339 UJECAVSZCMVDOR-GFCCVEGCSA-N 328.441 4.187 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C)c1C 408559780 YVKYYPLLRUFOPG-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NCCSC1CCCCC1 409026414 OJAMNQYITNQVTG-OAHLLOKOSA-N 337.554 4.490 0 40 EIAB COc1ccc(/C=C/C(=O)NCCSCc2ccccc2C)cc1 409028029 ZWIJPPQKHOXNTM-FMIVXFBMSA-N 341.476 4.066 0 40 EIAB CCCn1nccc1NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 513552994 FKUOQTLIZDFGIQ-FQEVSTJZSA-N 340.471 4.269 0 40 EIAB N=c1[nH]c(-c2ccc(Cl)cc2)c(NC(=O)c2ccccc2)s1 526049380 WNHSVKOKOKICNM-UHFFFAOYSA-N 329.812 4.128 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@H](C)Cc1csc2ccccc12 575619351 DGHWRWJHENDRRR-GFCCVEGCSA-N 342.464 4.186 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](c1csc2ccccc12)N(C)C 575621078 NMCNBGXNTDSPAO-GOSISDBHSA-N 338.476 4.242 0 40 EIAB O=C(COc1cccc(Cl)c1)N(C1CC1)[C@@H]1CCc2ccccc21 614346068 MCTXHNXOVXMVOL-LJQANCHMSA-N 341.838 4.397 0 40 EIAB CC1(C)C[C@H](c2ccccc2)N(C(=O)c2coc3c2C(=O)CCC3)C1 644846145 NBOYOKTTYBYEER-MRXNPFEDSA-N 337.419 4.412 0 40 EIAB Cc1ccc(CCCN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 1643056434 DROLLXKCLBOZJO-VJBWXMMDSA-N 335.491 4.432 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3ccccc23)cc1 151399 PGSLNZDMRUXXQG-CQSZACIVSA-N 349.386 4.032 0 40 EIAB COc1ccccc1-c1nnc(SCc2ccccc2Cl)n1C 422418 WFNSMDUKEYGYIM-UHFFFAOYSA-N 345.855 4.436 0 40 EIAB COc1ccc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc1 541742 GOHFBAPDXDPSGN-UHFFFAOYSA-N 332.407 4.311 0 40 EIAB Cc1sc2ncnc(SCC(=O)OCc3ccccc3)c2c1C 904711 LHEFRBTXQWOOCD-UHFFFAOYSA-N 344.461 4.144 0 40 EIAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 1337754 GCENQPVFULEQBI-UHFFFAOYSA-N 341.480 4.321 0 40 EIAB CCc1nc(SCC(=O)NC2CCCC2)c2c(C)c(C)sc2n1 1372133 GZQXIRHBFXLGJD-UHFFFAOYSA-N 349.525 4.021 0 40 EIAB CCOCCC(=O)N1c2ccccc2C[C@H]1c1c[nH]c2ccccc12 1709000 VIROKEWJJUKPAS-FQEVSTJZSA-N 334.419 4.225 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1C 2662329 RVJRRWOQPIWJDC-INIZCTEOSA-N 325.477 4.369 0 40 EIAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1cccs1 3232088 UVAXHVMGRPQTTN-UHFFFAOYSA-N 342.441 4.420 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 3321905 IBPDBUVUELBPCU-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB CSc1ccccc1C(=O)NCCOc1ccccc1C(C)C 3616113 FVMCQHHYGJMXMX-UHFFFAOYSA-N 329.465 4.341 0 40 EIAB COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 5519884 IURJXDRUVNGNGB-NVPFDSTMSA-N 332.484 4.101 0 40 EIAB O=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 5901549 SUBQMFWDAFLXIQ-OAHLLOKOSA-N 336.416 4.151 0 40 EIAB CCc1cccc2c(C=O)cn(CC(=O)N(CC)c3ccccc3)c12 6026908 GJIBUMPVCXNYFX-UHFFFAOYSA-N 334.419 4.069 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCCCC3)c1 6235937 NTLVWGVMTCCXRI-UHFFFAOYSA-N 343.448 4.364 0 40 EIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccco2)c1 6263837 ASNJCJLHXTZGQO-VQHVLOKHSA-N 332.787 4.324 0 40 EIAB Cc1ccc(CN[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 6787584 YWWVEWHFOWZCFC-LBPRGKRZSA-N 337.250 4.419 0 40 EIAB Cc1noc(C)c1CSCc1cc(=O)oc2cc3c(cc12)CCC3 6788107 FNJXZBAMXIUDFH-UHFFFAOYSA-N 341.432 4.320 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3F)s2)cs1 7821316 COTQJDICHNPYFR-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 7983912 RVVLRXCSYDREHX-UHFFFAOYSA-N 349.386 4.289 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 8343982 UUCHXIZMEJCZES-MRXNPFEDSA-N 345.830 4.125 0 40 EIAB CCc1c(C(=O)Nc2cccc3ccccc23)nnn1-c1ccccc1 8715185 MFDMLGCEUPZRCC-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 9489316 NIMZTCDYWMBBGJ-ZDUSSCGKSA-N 336.391 4.213 0 40 EIAB COc1cccc2sc(NC(=O)Cc3ccc(Cl)s3)nc12 10060859 JELOXXNIOWLNEF-UHFFFAOYSA-N 338.841 4.201 0 40 EIAB CCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccc(C)cc1 12411246 JIZCBDGLGJFGSK-UHFFFAOYSA-N 328.349 4.119 0 40 EIAB Cc1cc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)on1 12422295 HECLWWCWMFRBKM-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB Clc1ccc2c(Nc3ccc4c(c3)OCCCO4)ncnc2c1 12515958 DPBTVRUWYKATFM-UHFFFAOYSA-N 327.771 4.188 0 40 EIAB O=C(Nn1cnc2ccccc21)c1cc2c(s1)-c1ccccc1OC2 14186996 UNEIZDNZNGPLSK-UHFFFAOYSA-N 347.399 4.041 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)C3CCCCC3)cc2)cs1 14673363 DMVLOEBCJCCQOO-UHFFFAOYSA-N 328.481 4.358 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)nc1 14683581 SXUMXADHEFCEIV-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB CCOc1ccccc1C(=O)N(CC)C1C2CC3CC(C2)CC1C3 16790344 YKSIZSSZCQTJJW-UHFFFAOYSA-N 327.468 4.372 0 40 EIAB Fc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)N4CCC[C@@]34C2)cc1 19343094 PACOWZUQYBZXCZ-XKGZKEIXSA-N 342.483 4.299 0 40 EIAB Fc1ccc(F)c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 19346899 GBIXXNFFRHLELU-CQSZACIVSA-N 327.378 4.221 0 40 EIAB Cc1nc(C)c(CC(=O)NCC2(c3ccccc3F)CCCC2)s1 19560507 LJOMZSJAUNBFHO-UHFFFAOYSA-N 346.471 4.070 0 40 EIAB COc1ccc(-c2nn(-c3ccccc3)cc2CNC(C)(C)C)cc1 20680810 ACJVCTLMOYINIQ-UHFFFAOYSA-N 335.451 4.436 0 40 EIAB C[C@H](CC(=O)Nc1nc(CN2CCCCC2)cs1)c1ccccc1 22238160 HRHSIRWPCZFTSL-OAHLLOKOSA-N 343.496 4.261 0 40 EIAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 23718391 NXNJMTVZEKUHTB-GXFFZTMASA-N 334.872 4.312 0 40 EIAB O=C(CSC12CC3CC(CC(C3)C1)C2)NCCc1ccc(F)cc1 24213180 JKTVPVQAZRVZFU-UHFFFAOYSA-N 347.499 4.186 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2)c1 24616643 GSICXKLWFOEYET-ZDUSSCGKSA-N 347.842 4.167 0 40 EIAB CC(C)c1noc([C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 24667951 XOMCAFQNIFMDKF-ZIAGYGMSSA-N 340.427 4.275 0 40 EIAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)n1 27970812 STTXEJCRSNNWNX-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB Cc1cccc(CNC(=O)c2cc(Br)ccc2Cl)c1 31107480 PKCYFCZDOHYTTN-UHFFFAOYSA-N 338.632 4.341 0 40 EIAB O=C(NCc1cccc(CN2CCCC2)c1)Nc1ccc(Cl)cc1 31664304 ZOGJVCMSXHTONR-UHFFFAOYSA-N 343.858 4.258 0 40 EIAB CC(=O)N(CCC(C)(C)Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 32124162 WLCTXZBTLSUXCA-LJQANCHMSA-N 331.500 4.452 0 40 EIAB biogenic Cc1ccccc1CNC(=O)c1ccc(CN2CCCCCC2)cc1 38848740 YWZOMFWKKVKMET-UHFFFAOYSA-N 336.479 4.301 0 40 EIAB Cc1ccccc1C(=O)N[C@H](C)Cc1ccc(Br)cc1 40108475 ZIPDKQNJBURFJB-CYBMUJFWSA-N 332.241 4.119 0 40 EIAB CC(C)c1noc(CCCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 40131645 QEVQQUDAJDFMKW-GOSISDBHSA-N 347.434 4.168 0 40 EIAB CCc1ccc(C(=O)Nc2c(C)cc(NC(N)=S)cc2CC)cc1 45890983 XEQCKZYRCYANOW-UHFFFAOYSA-N 341.480 4.028 0 40 EIAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1Cc1ccccc1 48276446 GLIWKLGNCXANBO-INIZCTEOSA-N 328.481 4.422 0 40 EIAB CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(OC(C)C)nc2)c1 58107491 XSDNNGAZQCMORT-HNNXBMFYSA-N 342.439 4.147 0 40 EIAB Cc1csc([C@@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n1 65466203 MLXMDPOIIAQVCK-HNNXBMFYSA-N 349.525 4.139 0 40 EIAB CSc1nnc(CNC2(c3ccc(Cl)cc3)CCCC2)s1 69562961 YXTYAWLFVUMGDX-UHFFFAOYSA-N 339.917 4.473 0 40 EIAB Cc1nc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2o1 69811920 GGCUBFJOKKUULH-UHFFFAOYSA-N 339.376 4.034 0 40 EIAB CCO[C@H](C)c1nc(CSc2nncn2-c2ccccc2)cs1 71916364 TZHNSYJUBRORLK-GFCCVEGCSA-N 346.481 4.114 0 40 EIAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1 72343426 KOASFUDFEFWKPR-CQSZACIVSA-N 330.497 4.114 0 40 EIAB Cc1cccnc1Nc1cncc([C@@H]2CCCN(CC(C)(C)C)C2)n1 72354332 AZKPTBOXKZUMTL-MRXNPFEDSA-N 339.487 4.149 0 40 EIAB O=C1CCCN1CC[C@H]1CN(c2nc3ccccc3o2)c2ccccc21 81030175 JAMIGMXXDAIYMG-HNNXBMFYSA-N 347.418 4.076 0 40 EIAB Cc1nnc(CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)o1 89736343 PHOVDPSPPIRNLL-UHFFFAOYSA-N 338.238 4.364 0 40 EIAB C[C@@H]1CCCC[C@H]1OCCNc1nn2cc(C(C)(C)C)nc2s1 95356623 KKISLHSVAZUMFC-CHWSQXEVSA-N 336.505 4.096 0 40 EIAB CCc1ncc(CN[C@@H](Cc2ccc(C)cc2)c2cccnc2)s1 95409419 MKSFUCZHNKXEDD-IBGZPJMESA-N 337.492 4.483 0 40 EIAB COc1cc(C(=O)Nc2ccc(Cl)cc2O)ccc1OC(C)C 95974020 XSHYFJNBNICTPZ-UHFFFAOYSA-N 335.787 4.094 0 40 EIAB COc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc(C(C)C)nc2C3)c1F 100205207 FUXJCRWCZHLDFK-RHSMWYFYSA-N 341.430 4.010 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccccc2)cc1 222893272 CDIBHNAKGCVHKA-HXUWFJFHSA-N 325.452 4.155 0 40 EIAB CCc1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224928254 NBIYJGUXXQHLIA-UHFFFAOYSA-N 344.263 4.381 0 40 EIAB Cc1ccnc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225616688 BKCCEFLQFFGZIR-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1C 225651518 FSZKJSXQKKSJMO-QGZVFWFLSA-N 325.452 4.430 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccoc3)CCCC2)s1 225683125 DJNDGCPLJIDTGK-GBXSZLQWSA-N 345.464 4.036 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1conc1-c1ccccc1 225871626 VPVJMIXRZMWIFJ-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB CC(=O)[C@]12O[C@]1(C)C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254863321 LMVLICSGVDWDSM-JTEOHHQPSA-N 344.495 4.037 0 40 EIAB CCCCC[C@H](O)/C=C\[C@H]1[C@@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 299888685 TVXGQRHTUVWFOW-XMDVSQSTSA-N 336.472 4.089 0 40 EIAB O=C(N1CCc2sc(Cl)cc2C1)C1(c2ccc(F)cc2)CC1 566263932 SKHKCPFKLDDBPU-UHFFFAOYSA-N 335.831 4.157 0 40 EIAB Clc1cccnc1Sc1nccc(Sc2ccccn2)n1 1615627425 WYSQAMIXQSNSNW-UHFFFAOYSA-N 332.841 4.222 0 40 EIAB Cc1cc(OC[C@H]2CCCN(Cc3csc(C4CC4)n3)C2)ccn1 1776001034 WBGFBGZOGKOYOD-HNNXBMFYSA-N 343.496 4.015 0 40 EIAB CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 35604 MRQHSYUQPCWNJN-UHFFFAOYSA-N 333.409 4.037 0 40 EIAB CC1CCC2(CC1)SCC(=O)N2c1ccc(Br)cc1 205352 NCQUIAHNAXPVSK-UHFFFAOYSA-N 340.286 4.435 0 40 EIAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1Cl 252327 VXXNAMOTDAJSFK-ZDUSSCGKSA-N 339.826 4.056 0 40 EIAB COc1ccc(C(=O)Oc2cccc3ccc(C)nc23)cc1Cl 273046 UEFADPSCNLYDEA-UHFFFAOYSA-N 327.767 4.424 0 40 EIAB Cc1cc2cc([C@H]3NC(=O)c4ccccc4N3)c(Cl)nc2cc1C 421627 WMOYNROIDZYCCB-GOSISDBHSA-N 337.810 4.359 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCC2)cc1 514850 CYLKELCAKLFQDX-UHFFFAOYSA-N 344.842 4.197 0 40 EIAB CCOc1ccc(/C=C2/SC(=S)N=C2O)cc1Br 1216308 YYXZQOKQUKOYNO-UXBLZVDNSA-N 344.255 4.177 0 40 EIAB CCc1ccccc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 2122021 AWVZZTNIZYLNGD-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic CCCCc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 2129271 IHPRBKCYVAPHAI-UXHICEINSA-N 329.440 4.090 0 40 EIAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 2402425 IIKINWIMWHBMDZ-MRXNPFEDSA-N 339.778 4.012 0 40 EIAB Cc1sc2ncn3nc(-c4ccccc4OC(F)F)nc3c2c1C 2791126 GWLHKBCKFBVSAR-UHFFFAOYSA-N 346.362 4.224 0 40 EIAB CC[C@H](C(=O)OCC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 3240084 REVQOWGJGJBPAG-INIZCTEOSA-N 348.345 4.208 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2C)c(Cl)c1 3415525 QCYMZFBXFCLCMO-UHFFFAOYSA-N 331.799 4.061 0 40 EIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(F)c1 3554629 DGTXATCWTBKUPS-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB COc1ccccc1CNC(=O)CCCOc1ccc(Cl)c(C)c1 3614889 KMNLXWTVZDJMDX-UHFFFAOYSA-N 347.842 4.132 0 40 EIAB O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccccc1Cl 4120274 QOFBRUKAXNEZBD-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(F)cc23)c1 4372186 IPRMWIFSEBYCAX-CRAIPNDOSA-N 328.412 4.069 0 40 EIAB O=C(CSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1 4496686 OYHHHZVEIWWONS-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB CC(C)c1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 4728092 GQFPKFYHFNJTHQ-QGZVFWFLSA-N 347.414 4.103 0 40 EIAB CC(C)(C)C1CCC(CC(=O)O)(CC(=O)Nc2nccs2)CC1 4775810 CEQXWPCHBBVQAP-UHFFFAOYSA-N 338.473 4.169 0 40 EIAB O=C(Cn1cnc2ccccc21)Nc1ccccc1Oc1ccccc1 5198889 MIXBKMORXXYHGZ-UHFFFAOYSA-N 343.386 4.467 0 40 EIAB CCn1c(SCc2cc(C)ccc2OC)nc2ccccc2c1=O 5282124 WXEQZJANZBNENH-UHFFFAOYSA-N 340.448 4.026 0 40 EIAB CCN(CC)CCC[C@@H](C)NCc1ccnc2cc(Cl)ccc12 5839481 VGZGEWKXGPHIMF-OAHLLOKOSA-N 333.907 4.488 0 40 EIAB O=C(CCCc1cccs1)Nc1nc(-c2ccccn2)cs1 6508853 HRILDDCMXARXQJ-UHFFFAOYSA-N 329.450 4.228 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cccs2)cs1 6968457 YHCXMDBTVMSDCO-LLVKDONJSA-N 330.434 4.278 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 7037118 COKVESZHEHQQGJ-UHFFFAOYSA-N 347.886 4.438 0 40 EIAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)C1CCC1 7979433 XWDVQFBUBUOEAS-UHFFFAOYSA-N 348.240 4.468 0 40 EIAB CC(C)CC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 8071718 NVJXQKIEPPBECU-UHFFFAOYSA-N 341.889 4.468 0 40 EIAB COc1cc(OC)c(NC(=O)c2cc(Cl)ccc2F)cc1Cl 8924917 PKDIRPFRGZXRCF-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB CCOc1ccccc1Oc1c(-c2ccc(OC)cc2O)n[nH]c1C 8973599 ZLVJMCNJDXEVKA-UHFFFAOYSA-N 340.379 4.290 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 9336291 GMCRKHWEOCHPDM-UHFFFAOYSA-N 343.404 4.245 0 40 EIAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 11201563 FVNWLSVULGUCCL-MRXNPFEDSA-N 330.225 4.330 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 11560874 UCJWMPNRGPRXTL-QGZVFWFLSA-N 346.430 4.387 0 40 EIAB O=C1C[C@@H](c2ccc(F)c(Br)c2)c2sccc2N1 12428473 NNTKOYWZTSAMTF-QMMMGPOBSA-N 326.190 4.124 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 12619995 HJPVQPBHXXWYMD-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CSCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 12774227 WPYRIEYHJPLSGQ-UHFFFAOYSA-N 344.461 4.196 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COc1cccc2c1CCC[C@@H]2O 13071484 IYLUOQKGRZJMJH-KRWDZBQOSA-N 345.826 4.036 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccccc2SC)c1C 13649162 TVYDYZCYCGKODV-UHFFFAOYSA-N 329.421 4.146 0 40 EIAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccco1 14202330 WBSRVWMKZXDLBF-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 14398693 VECVYGKRWSUPMX-MRXNPFEDSA-N 325.452 4.410 0 40 EIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc2cccnc12 15612050 AMHGCXKKQLUIFQ-VAWYXSNFSA-N 340.386 4.072 0 40 EIAB Cc1nc(CCNC(=O)c2sc3ccccc3c2Cl)cs1 15832782 IMYKTJVVYFHVPR-UHFFFAOYSA-N 336.869 4.292 0 40 EIAB Cc1cc(SCc2nc(N)c3ccccc3n2)nc2ccccc12 18331941 MNECXJFASROHKO-UHFFFAOYSA-N 332.432 4.361 0 40 EIAB CC(C)(C)CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 19713094 DLZBILPBOFVUCI-MOPGFXCFSA-N 328.500 4.078 0 40 EIAB COCCc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 20011081 PQBXBGPRFWLUJA-UHFFFAOYSA-N 342.420 4.153 0 40 EIAB O=C(CCc1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20717416 PVIVYNLWGBLWJF-UHFFFAOYSA-N 338.838 4.339 0 40 EIAB CCCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 20897351 WLQOBDCXDFSJFH-GFCCVEGCSA-N 330.453 4.309 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 22508615 ACYKYMFDYPFNRU-LSDHHAIUSA-N 329.465 4.443 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1cccc(F)c1 24353697 NVLVWJAEQDDQFZ-NSHDSACASA-N 341.411 4.144 0 40 EIAB COc1ccccc1[C@H](C)N(C)C(=O)Cc1ccc2c(c1)CCCC2 25108975 TTYWXNHZBFTZHX-INIZCTEOSA-N 337.463 4.336 0 40 EIAB CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663748 FWDZURFFSFZLPW-SFHVURJKSA-N 336.907 4.419 0 40 EIAB CC1(C)C[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)CCO1 28294389 FDUJMCVEJKQBHO-INIZCTEOSA-N 337.419 4.061 0 40 EIAB C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 28746547 TXAVSPOSPDJSCM-HNNXBMFYSA-N 342.870 4.427 0 40 EIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccccc4)cc3c2C1 32945382 ALCJEERYTFCUQH-CQSZACIVSA-N 347.414 4.332 0 40 EIAB Cc1ccc(NC(=O)c2cccnc2SC2CCCC2)c(O)c1 40156615 UFIOVPQCAVOTIK-UHFFFAOYSA-N 328.437 4.383 0 40 EIAB CCCOc1ccccc1NC(=O)N(C)CCOc1ccccc1F 43452521 KDCOZAJNVRHDDZ-UHFFFAOYSA-N 346.402 4.157 0 40 EIAB O=C(Nc1cc(F)ccc1C(=O)N1CCCCCCC1)c1ccoc1 48185439 QAPVNPNCUWOCIP-UHFFFAOYSA-N 344.386 4.077 0 40 EIAB CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)N2CCCCC2)cc1 48273375 VBWSNVXGWZIQTQ-LJQANCHMSA-N 328.500 4.134 0 40 EIAB Cc1nc(CC(=O)NCC2(c3ccccc3)CCCCC2)cs1 48340063 OFVIUGFQEDMURT-UHFFFAOYSA-N 328.481 4.012 0 40 EIAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCCCC1 50078155 OAGXGYULQBMPBK-UHFFFAOYSA-N 330.453 4.210 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 54950659 GWGRFVYQIRLIMW-BBRMVZONSA-N 334.423 4.001 0 40 EIAB CCCCCNC(=O)C1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 60468676 SZXZMIJDZHXOLW-CQSZACIVSA-N 338.442 4.044 0 40 EIAB Cc1ncc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 63452946 SGXXUTUKQKKCOO-UHFFFAOYSA-N 343.477 4.081 0 40 EIAB CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1CCCCC1 72230408 PMNIUPKUICOGEX-UHFFFAOYSA-N 335.922 4.134 0 40 EIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 72238581 FZVGABWXWJTZKV-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1 72313524 CLBVONFBMIZNKH-GOSISDBHSA-N 337.467 4.042 0 40 EIAB Cc1cc(C)nc(SCC(=O)N2CCC[C@H]2CC2CCCCC2)n1 84114612 XHZLPILRYWRCFG-KRWDZBQOSA-N 347.528 4.147 0 40 EIAB Cn1nnc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc21 84311209 UOLSXGWPUFYKIS-UHFFFAOYSA-N 344.374 4.013 0 40 EIAB O=C(CCc1ccc(C(F)(F)F)cc1)NCCc1ccsc1 96120202 IIDDWHDETDFSFS-UHFFFAOYSA-N 327.371 4.058 0 40 EIAB O=C(NCc1ccccc1F)c1ccc(Oc2cccc(F)c2)o1 96183902 BBPYQGZRMWZZDQ-UHFFFAOYSA-N 329.302 4.280 0 40 EIAB Cc1ccc(N[C@H](C)c2cc3ccccc3o2)cc1NS(C)(=O)=O 97231519 QJSAKLBECWNNON-CYBMUJFWSA-N 344.436 4.286 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222998355 GBWHUUQQIRIHGQ-INIZCTEOSA-N 343.492 4.222 0 40 EIAB CCOc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1Cl 224046153 GRSQFVZSNMOCNN-UHFFFAOYSA-N 347.842 4.164 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COCc1ccccc1 224744371 DKMHYXGRGGASJE-INIZCTEOSA-N 341.451 4.330 0 40 EIAB CCOc1cccc(NC(=S)NCCCN2CCCC[C@@H]2CC)c1 225582702 IIVLPYSAUFAIGJ-KRWDZBQOSA-N 349.544 4.026 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccccc1C 225756733 MYBNFXNFDYNYGQ-INIZCTEOSA-N 344.480 4.450 0 40 EIAB COc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2ccccc12 225811275 CBOTWEKZUXNQRL-UHFFFAOYSA-N 327.424 4.382 0 40 EIAB Oc1nc([C@H]2CCC(F)(F)C2)nc2ccc(Br)cc12 253535084 HROUVFIYQSRMPM-ZETCQYMHSA-N 329.144 4.001 0 40 EIAB Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1 227343 RMMIVGOIXQNLRP-UHFFFAOYSA-N 329.812 4.298 0 40 EIAB Cc1cc(C)nc(SCCC(=O)Nc2cccc3ccccc23)n1 386145 GPEUUIIUMXTZHT-UHFFFAOYSA-N 337.448 4.368 0 40 EIAB O=C1N(c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)N2CCCN12 549497 DYWQEOAXCCIWMM-MRXNPFEDSA-N 331.778 4.041 0 40 EIAB CN(C)CCC[C@]1(O)c2ccccc2Sc2cc(Cl)ccc21 1735135 NVKBCYCHADJRMM-SFHVURJKSA-N 333.884 4.382 0 40 EIAB CC(=O)c1ccc(OCCCCOc2ccc(C(C)=O)cc2)cc1 3068336 OICITWNVLRAFQW-UHFFFAOYSA-N 326.392 4.330 0 40 EIAB COc1ccc(COC(=O)Nc2cc(F)c(F)cc2Cl)cc1 3150692 LECRHMYXPFZREC-UHFFFAOYSA-N 327.714 4.376 0 40 EIAB Cc1cc(C)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1 3362461 RVUWDBWQQMBBMB-UHFFFAOYSA-N 339.251 4.340 0 40 EIAB C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccccc1 3366120 MDDFBYPIHKZALV-LBPRGKRZSA-N 328.462 4.440 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 4179217 UZFDRFFDCWYPFY-LOHFZDIYSA-N 347.414 4.323 0 40 EIAB O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1 4412999 RGJFNLCJMKVAGX-UHFFFAOYSA-N 340.400 4.033 0 40 EIAB CCCCN/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 6396517 FLYOKXYIMWDUQZ-XSFVSMFZSA-N 348.446 4.221 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(F)c1 7514031 ICDQEAZYXZOJTR-LBPRGKRZSA-N 325.339 4.044 0 40 EIAB Fc1cccc(Cl)c1CNn1c(-c2ccccc2)n[nH]c1=S 7601473 PPUDTJKGYYLEIP-UHFFFAOYSA-N 334.807 4.144 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nccs2)cc1 7985142 YKVFFZSVZLXEPK-UHFFFAOYSA-N 334.444 4.480 0 40 EIAB NC(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 8518883 IHXVDJGIKWUWMV-UHFFFAOYSA-N 339.398 4.305 0 40 EIAB Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)nc(C)c1C 8705493 GDHFMYIORBSVMZ-CQSZACIVSA-N 341.480 4.010 0 40 EIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 9250263 HQFXYFAHOMEGPM-UHFFFAOYSA-N 335.451 4.186 0 40 EIAB COc1ccc2cc(C(=O)Nc3cc(C)ccc3OC)c(C)nc2c1 10409962 DCZCSBDYLHERPZ-UHFFFAOYSA-N 336.391 4.121 0 40 EIAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc(F)cc1F 12422189 SJYMNYZHFVDYDX-UHFFFAOYSA-N 348.736 4.454 0 40 EIAB CC(=O)c1cccc(NC(=O)CNc2ccc3c4c(cccc24)CC3)c1 12534221 WRBAMOQPFCQJDH-UHFFFAOYSA-N 344.414 4.192 0 40 EIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3)ccc2o1 12737269 TVXQZJXLLBXZBZ-JTQLQIEISA-N 329.787 4.229 0 40 EIAB Cc1ccc(C)c([C@H](C)N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 12930706 HKVMECSBZKQILW-YWZLYKJASA-N 340.442 4.113 0 40 EIAB COc1cccc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 13010804 FPEYLLKJPYOGIQ-HNNXBMFYSA-N 334.419 4.409 0 40 EIAB COc1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1 13016964 OHBZDJLBNOYJSQ-UHFFFAOYSA-N 325.339 4.024 0 40 EIAB COc1cccc(CN2Cc3cc4c(C)ccc(C)c4nc3OC2=O)c1 13226971 AXIXSACVSUGUHN-UHFFFAOYSA-N 348.402 4.375 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13708925 WQSMJAYSCUNFDL-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB COc1cc(C(=O)Nc2cccc(C)c2)nc2ccc(Cl)cc12 15829245 SIJZKFBHLPLVFJ-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12 16740420 NDVGAGXOEAALTI-OAHLLOKOSA-N 331.419 4.311 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccccc3)nc3c2cnn3C)c(C)c1 17025968 GCDPHYMMRNNQBL-UHFFFAOYSA-N 344.422 4.467 0 40 EIAB O=C(Nc1ccc(N2CCCCC2)nc1)c1c(F)cccc1Cl 20375288 XMUBWZAJMXPWCP-UHFFFAOYSA-N 333.794 4.117 0 40 EIAB O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc3nc4ccccc4n3cc21 20635311 PEPABYZCJKXXDO-OFAQMXQXSA-N 339.398 4.341 0 40 EIAB CCCc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 21635126 DFPAAKFRAYZCPY-UHFFFAOYSA-N 331.372 4.142 0 40 EIAB COc1ccc(CC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 22638190 YUKFFWUCVPFNND-UHFFFAOYSA-N 348.446 4.125 0 40 EIAB CC(C)c1ccc(Sc2ccc3nnc(C(F)(F)F)n3n2)cc1 24216294 WUAFSDBRBGKXLC-UHFFFAOYSA-N 338.358 4.418 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1ccc(F)cc1 25535091 YUMDVYPTYQWMHI-INIZCTEOSA-N 326.396 4.413 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 27970333 QNKGSYNHWBLRHF-UHFFFAOYSA-N 333.435 4.363 0 40 EIAB Cc1cc(-c2ccccc2)n(-c2cc(Nc3ccccc3)ncn2)n1 33148371 MTPZCUKTIPPHKH-UHFFFAOYSA-N 327.391 4.381 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2ccnc2)cc1 38835570 PAJBUFUORGVWFC-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB COc1ccc(C(=O)c2cc3ccccc3o2)cc1Br 40024856 XMMFGMSQQCNPML-UHFFFAOYSA-N 331.165 4.435 0 40 EIAB COc1ccc(F)cc1-c1csc(NC(=O)C[C@@H]2C=CCC2)n1 40111333 NXDZELCIUHBNES-LLVKDONJSA-N 332.400 4.253 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1F 48303859 LKNMYDQQRBFOHH-OAHLLOKOSA-N 331.387 4.179 0 40 EIAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc2ccccc2n1 53280277 SUFCCCLMLZZJRZ-UHFFFAOYSA-N 329.359 4.071 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)cc1 57412434 IVVUXFUDKLERMA-UHFFFAOYSA-N 343.333 4.006 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1F 57412671 SWHYOCNKZKKAPY-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB COc1c(C)cnc(CN(Cc2ccco2)Cc2ccco2)c1C 58196372 YTWLKQDQBZMFPM-UHFFFAOYSA-N 326.396 4.095 0 40 EIAB C[C@@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F 60338155 JPPOOSMAOZGYAP-AWEZNQCLSA-N 331.406 4.237 0 40 EIAB O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 64486376 UVRCHJLMLBDUGI-ROUUACIJSA-N 326.827 4.030 0 40 EIAB Fc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1 67261375 LBQNNZHYFSSIMU-UHFFFAOYSA-N 347.397 4.438 0 40 EIAB C[C@H](c1ccccn1)N(C(=O)Cc1ccccc1C(F)(F)F)C1CC1 69460944 IHRYYNSIWSXNMF-CYBMUJFWSA-N 348.368 4.395 0 40 EIAB C[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H](c2ccccc2)O1 69569787 HCIAPUDCQYPYOG-RDTXWAMCSA-N 341.476 4.229 0 40 EIAB C[C@@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)[C@H](C)CO1 84705526 GCJMTZUUGJVYCA-GHMZBOCLSA-N 331.462 4.365 0 40 EIAB Cc1nnc([C@@H](C)SCc2csc(COc3ccccc3)n2)o1 95412895 VZSRLLDQUWYHRX-LLVKDONJSA-N 347.465 4.408 0 40 EIAB Cc1nc(NC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)oc1C 95428470 YMKPVIMJGRSGLI-LPHOPBHVSA-N 325.412 4.225 0 40 EIAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1ccc(OC(F)F)cc1 96404384 DPSQQLOCLPCVAT-KPWVOAKYSA-N 328.355 4.437 0 40 EIAB C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(N2CCSCC2)cc1 96435210 KRVULMFQLDMECL-AWEZNQCLSA-N 345.468 4.058 0 40 EIAB CC(C)N1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102720788 NMZCVMTZOUESFP-UHFFFAOYSA-N 333.844 4.434 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COCC[C@H]1C[C@@H]2CC[C@@H]1C2 104492742 QBRZVAUIHARCSG-AKHDSKFASA-N 337.548 4.233 0 40 EIAB Cc1nc(CSCCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cs1 105953103 GIAVUGDTNOYDPQ-DSRCVFDASA-N 338.542 4.016 0 40 EIAB CCO[C@@H](C)c1nc(CC(=O)N2CCCc3cccc(C)c32)cs1 117126625 NXKQPJFOZNRRBI-AWEZNQCLSA-N 344.480 4.071 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1nccs1 153823785 ZCCPGIFSADKBDB-SSDOTTSWSA-N 345.649 4.050 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccccc3F)c2)n1 170580177 HIEZWSYGUSGFLJ-UHFFFAOYSA-N 336.370 4.228 0 40 EIAB CCCCN(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199827264 XSOZMQLMHVDFPF-UHFFFAOYSA-N 326.231 4.158 0 40 EIAB Cc1ccc(SCCNC(=O)CSCc2ccccc2F)cc1 222698763 DMOKEUOVNXEBFW-UHFFFAOYSA-N 349.496 4.276 0 40 EIAB COc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1C 224191073 LFIABDIYNCXFKG-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB O=C(NCCSCc1ccccc1F)c1ccc2c(c1)CCCC2 225628967 ZAINYSRPZVPBAT-UHFFFAOYSA-N 343.467 4.368 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(OC(C)C)c1 408702913 KBNTYYIXMRTZHP-IBGZPJMESA-N 343.423 4.279 0 40 EIAB O=C(CCCc1cc(F)ccc1F)N1CCC(CC(F)(F)F)CC1 556496376 CVXRFXJADPSJMW-UHFFFAOYSA-N 349.343 4.479 0 40 EIAB CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@H]12 585109352 LPVWNUDXIMZTSS-PCCBWWKXSA-N 348.490 4.119 0 40 EIAB Clc1cc2c(cc1Sc1ncnc3ccsc13)OCCO2 589591542 OSUKTGGIBLYRBE-UHFFFAOYSA-N 336.825 4.267 0 40 EIAB CCCc1noc2nc(CC)cc(C(=O)N[C@H](C)C3CCCC3)c12 622372844 ZNKBBZIWKSTNAS-GFCCVEGCSA-N 329.444 4.046 0 40 EIAB Cc1ccc(F)cc1-c1noc([C@H](C)n2ccc(C(F)(F)F)n2)n1 632032159 SNFJSKUTJMWGDR-VIFPVBQESA-N 340.280 4.009 0 40 EIAB Cc1cnc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(F)c1 1889201660 PCVFJWAYIABOOG-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB COc1ccccc1-c1coc2cc(OC(=O)C(C)C)ccc2c1=O 101410 XVFPDEIJZXBFDX-UHFFFAOYSA-N 338.359 4.030 0 40 EIAB biogenic O=C(Sc1ccc(Br)cc1)c1ccc(Cl)nc1 166082 NXKRMPMFQNDZQM-UHFFFAOYSA-N 328.618 4.430 0 40 EIAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C1CC1 425062 VEJVXAWRCADXFK-UHFFFAOYSA-N 326.396 4.163 0 40 EIAB Cc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 430352 FICFZLSBXJXXJV-DHDCSXOGSA-N 342.192 4.102 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 568311 FOEBNVAIAAQTKY-UHFFFAOYSA-N 347.462 4.442 0 40 EIAB Cc1ccccc1-c1nnc(N(C(=O)C2CC2)C2CCCC2)s1 1345237 PXYHTGPSWBPEMQ-UHFFFAOYSA-N 327.453 4.199 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nc(C)c1C 2625864 IWWUCGQZQCJYKO-LBPRGKRZSA-N 335.860 4.175 0 40 EIAB Cc1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2C)cc1 2640515 QUEUVEQJQHSRCM-UHFFFAOYSA-N 343.427 4.101 0 40 EIAB CCCCCn1c(CNC(=O)Cc2ccccc2)nc2ccccc21 2721285 MQMYPINLTXPHPM-UHFFFAOYSA-N 335.451 4.085 0 40 EIAB CCCOP(=O)(OCCC)c1nc(-c2ccccc2)oc1NC 3147868 GEZYBBNVPDHDQC-UHFFFAOYSA-N 338.344 4.055 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 3230046 ZZZZUNQNHOHUNG-MDZDMXLPSA-N 329.421 4.067 0 40 EIAB CC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 3549978 UEMYSVMOBGNVEU-ZDUSSCGKSA-N 332.783 4.224 0 40 EIAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccc1F 3895846 MAXUPAXXRFAVFA-JTTJXQCZSA-N 348.462 4.121 0 40 EIAB COCCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)cs1 4188815 OSJAEEFGLTYSQB-UHFFFAOYSA-N 338.432 4.103 0 40 EIAB O=C1CSc2ccc(C(=O)OCc3cccc4ccccc34)cc2N1 4581644 QXEUCAFULYGWCI-UHFFFAOYSA-N 349.411 4.241 0 40 EIAB c1ccc(-n2c(SCc3ccncc3)nnc2-c2cccnc2)cc1 5033144 NJOKAUCXXCLSBT-UHFFFAOYSA-N 345.431 4.017 0 40 EIAB Cc1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 5551602 YMGHSZFHHBDYKX-UHFFFAOYSA-N 332.432 4.416 0 40 EIAB COc1cc(C)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC 6258999 PTCQPMZGBHOYEC-LLVKDONJSA-N 345.464 4.451 0 40 EIAB CCCCCC(=O)NC(=S)Nc1ccc(N(CC)CC)cc1C 6595072 QWRJNEVWRBDPEV-UHFFFAOYSA-N 335.517 4.235 0 40 EIAB C[C@H](OC[C@@H](O)CN1CCCCCCC1)c1ccc(Cl)cc1 6939135 LOYOOYSZLJKMLM-YJBOKZPZSA-N 325.880 4.045 0 40 EIAB C[C@]1(C2CCCCC2)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21 8767783 BQEDYDBFUPOBLE-LJQANCHMSA-N 326.465 4.494 0 40 EIAB O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc2ccccc2o1 9306203 DUULXBKZEBBDGE-UHFFFAOYSA-N 338.754 4.124 0 40 EIAB Cc1cccc(Nc2nc(C(=O)N(C)Cc3ccccc3)cs2)c1 9846096 IKLGCUBORIBJFS-UHFFFAOYSA-N 337.448 4.467 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccc(Cl)c1 10081395 XDGQEFNYKZDLGB-SNVBAGLBSA-N 348.855 4.241 0 40 EIAB c1ccc(-n2c(SCc3ccccn3)nnc2-c2ccco2)cc1 10396125 UYIUTCCQMWZXEN-UHFFFAOYSA-N 334.404 4.215 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1 11510358 XPZPLAVEYGGILD-UHFFFAOYSA-N 345.267 4.237 0 40 EIAB CCOc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 12993642 BSSSAQFLNUXUQI-JLHYYAGUSA-N 333.431 4.414 0 40 EIAB Cc1ccc(NC(=O)CNc2ccccc2C)c(Br)c1 15085324 YOTIHTCHCJXQHT-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 19164031 HCHMSPRTNVDPOF-UHFFFAOYSA-N 341.338 4.355 0 40 EIAB Cc1nn2c(O)cc(-c3ccncc3)nc2c1-c1ccc(Cl)cc1 19582075 LHIAXTPMMFFJOS-UHFFFAOYSA-N 336.782 4.126 0 40 EIAB COC(=O)c1cc2ccccc2cc1OC(=O)CCc1ccsc1 21900814 SNBFLENBLJWLSO-UHFFFAOYSA-N 340.400 4.226 0 40 EIAB COc1ccc(C)cc1CSc1nnc(NCc2ccco2)s1 22317546 MZWCABAJJCDHIE-UHFFFAOYSA-N 347.465 4.353 0 40 EIAB CCOc1ccc(N2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 27229284 FCBDAIMDOGBLJN-LFIBNONCSA-N 343.379 4.465 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccccc2)n[nH]1 28246162 GEOYOBZCIZBPEE-GFCCVEGCSA-N 341.798 4.136 0 40 EIAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCOCC1 28341746 KTFLUDKJJRHLKP-UHFFFAOYSA-N 338.432 4.328 0 40 EIAB COc1ccc2nc(C)c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1 29697401 GYQCTLFHDZIRGQ-HNNXBMFYSA-N 348.446 4.303 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(-c2nc3cnccc3o2)cc1 32096496 JCNRLMCLNSZSHH-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB COC(=O)c1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 32396474 FPCGVJQKOBSTAH-KRWDZBQOSA-N 343.448 4.196 0 40 EIAB CCCc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 32858055 YCPLEBOSFBUBSU-IBGZPJMESA-N 339.435 4.026 0 40 EIAB COc1cc(C)c(NC(=O)N(C)Cc2cccc(Cl)c2)cc1OC 40103464 MVUQJZBYYWDIBP-UHFFFAOYSA-N 348.830 4.330 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)N(C)Cc2ccccc2)c1 40103923 YBXXWQJVFSAGDL-UHFFFAOYSA-N 328.412 4.148 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)c3c(C)noc3C)cn2)cc1C 40122678 SITNEKCESLHJLQ-UHFFFAOYSA-N 337.379 4.348 0 40 EIAB CC(C)(C)c1ccc(OC[C@@H]2CCCNC2)c(Br)c1 42774775 AZTDGAHIXDHVIX-GFCCVEGCSA-N 326.278 4.125 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(OC)cc1 44945856 NFDZGYRNXAGZCX-DNVCBOLYSA-N 341.451 4.292 0 40 EIAB C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)s1 46293976 OFNHNODSCPVKIQ-JTQLQIEISA-N 337.828 4.054 0 40 EIAB Clc1cccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 49592585 KKTSEQKPHUVFLD-UHFFFAOYSA-N 334.810 4.438 0 40 EIAB Cc1[nH]c2c(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3)cccc2c1C 65522611 JFWDNMVNANUNEX-AWEZNQCLSA-N 349.478 4.212 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NCc2nc(-c3cccs3)no2)c1 65603818 LYEDJRIUNYMKFC-UHFFFAOYSA-N 348.815 4.022 0 40 EIAB CC(=O)Nc1ccccc1OCc1nc(-c2ccsc2)oc1C 69600651 PTPPWTULWSWAHS-UHFFFAOYSA-N 328.393 4.249 0 40 EIAB O=C(NC[C@@H](O)c1ccco1)Nc1sc2ccccc2c1Cl 72286248 IPUBJWGRCQTHOM-SNVBAGLBSA-N 336.800 4.003 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)N1CC[C@H]1Cc1ccccc1 72311742 GRVUBYRKRNDGTC-APWZRJJASA-N 325.477 4.152 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(F)cc2Cl)C1 72405186 WNSFYDMIFAYQDL-ZDUSSCGKSA-N 345.761 4.441 0 40 EIAB Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414231 HUBNYHWRDILOGN-UHFFFAOYSA-N 340.448 4.467 0 40 EIAB O=C(c1ccccc1Cl)N1CCC(CSc2ccccn2)CC1 85557489 QKQSQNTZKGSOSW-UHFFFAOYSA-N 346.883 4.380 0 40 EIAB Cc1n[nH]c(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1 95409286 MNPOUVCYYRPGDC-OAHLLOKOSA-N 349.419 4.045 0 40 EIAB COC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCCc3ccccc32)cc1 95958450 JCTMUPODKNNRER-FQEVSTJZSA-N 338.407 4.098 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(Cl)cc1 216237825 VXMIDPYDSGCMOH-LBPRGKRZSA-N 338.234 4.419 0 40 EIAB Cc1ncccc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 219045945 HYDHPHRQPREHBS-KRWDZBQOSA-N 346.883 4.364 0 40 EIAB CCSc1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 222643863 BJOIHIJAQVWVOV-UHFFFAOYSA-N 343.448 4.141 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(C)ccc1OC 222979910 STUXSICRTQYVHM-GOSISDBHSA-N 327.424 4.417 0 40 EIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 223410840 MQEOHBDAUBNVQL-MRXNPFEDSA-N 343.492 4.315 0 40 EIAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccccc1 225302452 UUEMBIPAOCVXCS-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1Cl 225380555 YPWVHLKHOXXSNV-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB Nc1ccc(Nc2ccc(Cl)cc2Cl)c(C(=O)NC2CC2)c1 225475234 RGJGGVSIMLOAKA-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB CCCOC1(C(=O)Nc2cnc(OCC)c(C)c2)CCCCCC1 225910256 DPYSBGKHYJRJQU-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CCc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226039353 ZQAWXRJARLQJMO-UHFFFAOYSA-N 327.767 4.261 0 40 EIAB Nc1ccc(Cl)c(-c2ccc(C(=O)N3CCc4ccccc43)o2)c1 226304431 PJRJQYGLMRZKOF-UHFFFAOYSA-N 338.794 4.385 0 40 EIAB CO[C@H](c1noc(-c2cnn(C(C)(C)C)c2)n1)c1ccccc1Cl 274103663 TUCBZEMMBIMLKP-AWEZNQCLSA-N 346.818 4.077 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 408628302 WHASTUNKABHUSE-UHFFFAOYSA-N 336.391 4.215 0 40 EIAB COc1ccccc1C(=O)Nc1ccc2nc(SC)sc2c1 28951 BSYMRCJLHFSAIK-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2o1 34972 LIFUNLRAAWKRJV-UHFFFAOYSA-N 342.148 4.364 0 40 EIAB aggregator C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2C(=O)[C@H]1C 106072 YXCWRLCZWVCEDO-KBPBESRZSA-N 332.403 4.256 0 40 EIAB CC[C@H]1CCc2nc3sc(C(=O)NC4CCCC4)c(N)c3cc2C1 141904 SBRRLAKSWOXCDY-NSHDSACASA-N 343.496 4.066 0 40 EIAB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccs1 428073 IQMKXEUWBPTINE-MLGOLLRUSA-N 332.446 4.129 0 40 EIAB CCC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12 560811 UFEFEFPCPWBNCH-UHFFFAOYSA-N 334.419 4.490 0 40 EIAB O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1Cl 804768 CNROUHIFGHGJLI-UHFFFAOYSA-N 349.799 4.104 0 40 EIAB CCn1nc(NC(=O)c2ccccc2)c2cc3cc(C)ccc3nc21 1275502 QRDSXQFYUCJUSK-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB COc1ccc(CN(C(=O)C(F)(F)F)c2ccc(Cl)cc2)cc1 1382975 FDEBBDZNRJRONT-UHFFFAOYSA-N 343.732 4.444 0 40 EIAB CC(C)N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)CC1 1460343 GNZAGVVNUOIQBZ-VQTJNVASSA-N 342.527 4.077 0 40 EIAB CCCCCCc1cc2cc(C(C)=O)c(=O)oc2cc1OC(C)=O 2292307 MKHFWQUNEUORAI-UHFFFAOYSA-N 330.380 4.044 0 40 EIAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCCC1 3211385 ZFIGNLOEBSAXKI-GUYCJALGSA-N 348.899 4.357 0 40 EIAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)NC1CCCCC1 4138295 GFTFRTBNMLBWFD-UHFFFAOYSA-N 325.456 4.179 0 40 EIAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc21 4289583 BNPPOUDAUCDTFA-UHFFFAOYSA-N 345.855 4.440 0 40 EIAB Cc1ccsc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 4551549 DZLXCOCRRVUQCE-RIYZIHGNSA-N 333.409 4.432 0 40 EIAB CCc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928735 YALIORSBNKWBKK-HXUWFJFHSA-N 331.419 4.339 0 40 EIAB CCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 5027489 SHUBRYPVPYWGRC-UHFFFAOYSA-N 348.493 4.081 0 40 EIAB COc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 5156759 HVFDIVYWQAHGRG-UHFFFAOYSA-N 325.389 4.257 0 40 EIAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)cc1 5164261 YWLCFKJXHOOFLH-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c1 5219644 TVIDCIKIWLEXJJ-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB CN(C)CCC[C@@]1(O)c2ccccc2Sc2cc(Cl)ccc21 5327870 NVKBCYCHADJRMM-GOSISDBHSA-N 333.884 4.382 0 40 EIAB O=C(Nc1nccs1)c1cc(-c2ccc(O)cc2)nc2ccccc12 7038855 UGLJVBQORUBPSR-UHFFFAOYSA-N 347.399 4.316 0 40 EIAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 7671750 PNUFLKDIQMPYIN-SNVBAGLBSA-N 343.295 4.404 0 40 EIAB CCc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7724539 WFVTUOUMQWCNHU-UHFFFAOYSA-N 342.870 4.173 0 40 EIAB CSc1ccccc1C(=O)OCc1cc(-c2cccs2)on1 7734899 CKYFJDJNRJTGCQ-UHFFFAOYSA-N 331.418 4.482 0 40 EIAB Cc1c(C(=O)Nc2cccc(N3CCCC3=O)c2)oc2ccccc12 7923909 ROVKGXCCEKQSOM-UHFFFAOYSA-N 334.375 4.120 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OC 8287226 SAFMVJOVGHQRGM-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c1 9155369 IGTUOVDIWURAHS-NSHDSACASA-N 335.762 4.088 0 40 EIAB Cc1cc(-c2csc(NC(=O)CCc3cccnc3)n2)c(C)s1 9804250 QJZKYOBZAVZOOJ-UHFFFAOYSA-N 343.477 4.455 0 40 EIAB Cc1ccc(CCCNC(=O)c2ccc(Br)cc2)cc1 10110373 JZIXJXBMKYDEME-UHFFFAOYSA-N 332.241 4.120 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)nc2ccccc12 11750186 JFMQPXJHGXYLEN-UHFFFAOYSA-N 336.822 4.350 0 40 EIAB O=C(Nc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1Cl 12685147 UDQYBHXFGYIAIA-UHFFFAOYSA-N 333.178 4.031 0 40 EIAB Cc1cc(C)cc(-n2nnnc2S[C@H](C)c2ccc(F)cc2)c1 12730083 HUVHJERKPYOLFW-CYBMUJFWSA-N 328.416 4.272 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(C(F)(F)F)cc1 12790397 CMDCXTLPYVSEBS-UHFFFAOYSA-N 343.308 4.415 0 40 EIAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F 12809649 WRNMDDVBKGRLBU-KPZWWZAWSA-N 330.378 4.033 0 40 EIAB Cc1ccccc1[C@H](C)N[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14138892 CAGLAWAIGCWEGX-QWHCGFSZSA-N 341.480 4.322 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1F 15612711 SWTJSMIURIZULW-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 16087281 WGVMVWRYMZCKML-SECBINFHSA-N 348.226 4.172 0 40 EIAB Cc1nc2c(ccc3nc(NC(=O)Cc4cccs4)sc32)s1 16837961 FHBISMGFGYQNJI-UHFFFAOYSA-N 345.474 4.457 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(C(=O)O)c2C)c1 20142156 NHKSTRGNRPGRRH-LBPRGKRZSA-N 327.380 4.123 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1 20483369 MXEIWSFGZCWDBG-OAHLLOKOSA-N 331.843 4.349 0 40 EIAB O=C(NC1CCCCCCC1)c1ccccc1OC[C@H]1CCCO1 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0 40 EIAB CC(C)Oc1ccccc1NC(=O)c1ccc(Br)cc1 31776435 UVZKWAUZWOYZDL-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB Cc1cccc(NCN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c1 32191479 QDMVISOJZCZWGE-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1Cc1ccccc1 32611678 HHKSZPNOFHQSPQ-QGZVFWFLSA-N 348.368 4.309 0 40 EIAB Cc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)c(C(C)(C)C)c1 35022934 JLKSJXCQCJQNRN-KSZLIROESA-N 333.516 4.295 0 40 EIAB COc1cccc(Nc2c(-c3ccc(O)cc3)nc3ccccn23)c1 35616163 VYAACXGZAMSZII-UHFFFAOYSA-N 331.375 4.459 0 40 EIAB Cc1cc(C(F)F)c2c(=O)[nH]c(=S)n([C@H](C)c3ccccc3)c2n1 36617210 MNESXQZPOHIYCW-SNVBAGLBSA-N 347.390 4.309 0 40 EIAB COc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OC(C)C 36697908 NCQAMHWHDPDFPX-CQSZACIVSA-N 325.408 4.074 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 38833351 MWZYVEUBAVFOCE-GOSISDBHSA-N 340.442 4.293 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 40103182 UBMBDDYRHUUVOD-SECBINFHSA-N 342.292 4.449 0 40 EIAB CCc1nc(NC(=O)c2cccc(Br)c2)sc1C 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40 EIAB COc1ccc(NC(=S)Nc2cc(F)ccc2F)cc1Cl 71761831 JOLZIGYBGZCUGQ-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB CCc1ccc(NC(=O)Nc2ccccc2CN(CC)C(C)=O)cc1 72282532 UJNYBFJYKBOZKG-UHFFFAOYSA-N 339.439 4.261 0 40 EIAB CCCN(C(=O)Nc1ccc(OC)cc1)[C@@H]1C[C@H](OCC)C1(C)C 72305979 FDNSIVRZMTWIHZ-SJORKVTESA-N 334.460 4.143 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 77699140 PEPAMKLFSZSISP-HNAYVOBHSA-N 342.439 4.029 0 40 EIAB O=C1N[C@@H](c2csc(C3CC3)n2)Nc2c1sc1ccccc21 78765058 WIWRKUKOEQPTTF-AWEZNQCLSA-N 327.434 4.089 0 40 EIAB CCN(C[C@H]1CCCO1)c1ncnc2scc(-c3ccccc3)c12 84774561 WIMQCDORRKWCGN-OAHLLOKOSA-N 339.464 4.364 0 40 EIAB CN1C(=O)/C(=C\NN(c2ccccc2)c2ccccc2)c2ccccc21 95101204 LZPKZHUPALDIEX-SILNSSARSA-N 341.414 4.347 0 40 EIAB CC[C@@](CNC(=O)C12CC3CC(CC(C3)C1)C2)(OC)c1ccccc1 96123714 AVBOXZBGDJWMPK-TXSRUQCCSA-N 341.495 4.271 0 40 EIAB O=[S@](CCc1ccccc1)Cc1csc(-c2cccs2)n1 96404271 TVMMVPJRVTZYTD-NRFANRHFSA-N 333.503 4.363 0 40 EIAB Cc1ccc(-c2nc(CNc3ccc([S@](C)=O)c(F)c3)co2)cc1 97020094 CDYXVRLBBLHKPK-XMMPIXPASA-N 344.411 4.139 0 40 EIAB CN(C)/C=C(/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 100255060 XALLWRGTNHOFQL-AGJFMPELSA-N 347.867 4.230 0 40 EIAB Cc1nc2cc(NC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2n1C 100621276 XJDLLAUVYPUPNQ-QRWLVFNGSA-N 340.471 4.314 0 40 EIAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 113945587 MSQOIOLWZFZHIM-AWEZNQCLSA-N 347.842 4.211 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924014 YTEOUZKSZOTHEC-POLDGOGYSA-N 346.511 4.164 0 40 EIAB CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211503525 UDDNNYQTWUASBB-WJDWOHSUSA-N 341.388 4.444 0 40 EIAB COc1ccc(C(=O)O[C@H](C)c2ccc3c4c(cccc24)CC3)cc1N 216850763 KDIFIIHYWPTSNR-CYBMUJFWSA-N 347.414 4.447 0 40 EIAB CCOc1ccccc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225105229 GTGZTPMTPVHCLQ-HXUWFJFHSA-N 336.387 4.313 0 40 EIAB O=C(COc1cccc2ccccc12)NCCSC1CCCC1 225313820 CFSZTCXSBUWJIS-UHFFFAOYSA-N 329.465 4.011 0 40 EIAB Cc1ccc2oc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1 226281126 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327.468 4.124 0 40 EIAB C[C@H](O)[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccc1F 1644392603 KRSPYWRWWFLHQG-YCRPNKLZSA-N 349.405 4.345 0 40 EIAB C[C@H]1C[C@@H](C)C[C@H](NC(=O)NCCc2ccc(F)cc2Cl)C1 1668593020 BKSAOZNMRVZEHA-JYAVWHMHSA-N 326.843 4.146 0 40 EIAB CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C(=O)O)C1 34759 YVZXXBUYNATFEK-RYUDHWBXSA-N 342.222 4.379 0 40 EIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 72349 BVXBOSFRFPTSOV-QZTJIDSGSA-N 338.407 4.260 0 40 EIAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 422934 BHFJNWYLWMOLTH-MAUKXSAKSA-N 328.799 4.418 0 40 EIAB CCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2)cc1 528200 VYXMYKLGALMOPK-MOPGFXCFSA-N 334.423 4.132 0 40 EIAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCC1CCCC1 545896 MBWWJKQNKNHAKM-UHFFFAOYSA-N 328.412 4.172 0 40 EIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1ccc(C(=O)O)cc1)N2 818048 WYTZFJRKYWCPAY-LJQANCHMSA-N 333.391 4.146 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)n1 1386131 HCNSDEYCZYKWSI-UHFFFAOYSA-N 349.761 4.203 0 40 EIAB Clc1ccc(Cl)c(-c2nn3c(-c4ccncc4)nnc3s2)c1 2432009 PLKSHRNGTCHKLI-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB FC(F)(F)c1cnc(Oc2ncn(-c3ccccc3)n2)c(Cl)c1 2558776 LTXJRXUACXOFNG-UHFFFAOYSA-N 340.692 4.127 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)c1ccccc1 3017453 RXDXZHOIOKOHBK-ZDUSSCGKSA-N 326.783 4.365 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1 3327327 JLABIWBPEGCFBH-UHFFFAOYSA-N 346.224 4.359 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1C 3392979 SUARGKLMDUYCHV-UHFFFAOYSA-N 335.403 4.062 0 40 EIAB Oc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1 3909941 DVVWADCFBPDNPL-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB Cc1ccccc1CN1C(=O)Nc2ccccc2C(=O)N1C(C)(C)C 4108567 UZYZRNHVEUCCTM-UHFFFAOYSA-N 337.423 4.198 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccn1 5578359 ZOMLFINTFOQBBK-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1 6752964 FBFBQHZGCORLBG-FQEVSTJZSA-N 347.418 4.128 0 40 EIAB COc1cccc(NC(=S)NCCSc2ccc(C)cc2)c1 7368305 SEULLAKDDVUUTO-UHFFFAOYSA-N 332.494 4.082 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCCc2ccccc21 7778063 VUBYWSMQIRVCOJ-UHFFFAOYSA-N 349.409 4.221 0 40 EIAB COc1ccc(-c2nc(COC(=O)c3ccoc3C)cs2)cc1 7850876 RPBUYZZOQTVQCX-UHFFFAOYSA-N 329.377 4.077 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 8479454 JBDQABRLBFLEPD-NEFAXPCMSA-N 327.468 4.156 0 40 EIAB Cc1ccc2cccc(O[C@@H](C)C(=O)NC3CCCCCC3)c2n1 9220840 XBNXGJQTWLWGIH-HNNXBMFYSA-N 326.440 4.150 0 40 EIAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(C(C)(C)C)nc3c12 9423502 LWFDETBPYFTIPJ-UHFFFAOYSA-N 337.402 4.122 0 40 EIAB Cc1cc(CSCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)on1 9449497 BJOGYURMTRSYQA-HNNXBMFYSA-N 346.496 4.292 0 40 EIAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1 9983376 HUTATSGKQDBOAU-LBPRGKRZSA-N 344.484 4.030 0 40 EIAB Fc1ccccc1Nc1nnc(SCCc2ccccn2)s1 10428222 GHFYDBVJJXMLGG-UHFFFAOYSA-N 332.429 4.151 0 40 EIAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccnc1 11565881 RZGKYEUMKBSGBK-UHFFFAOYSA-N 348.468 4.103 0 40 EIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl 11614166 MNJOBPINKOEJJF-SNVBAGLBSA-N 342.247 4.133 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)c(C)c1 12754143 ALGLKFWYNXHKQY-UHFFFAOYSA-N 326.421 4.258 0 40 EIAB Cc1csc(NC(=O)c2ccccc2NC(=O)c2cccs2)n1 12758398 YHMKOCIQBCVQOH-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2cc(C(C)=O)ccc2OC)cc1 12915418 FOUBXFLQEKTNTG-HXUWFJFHSA-N 339.435 4.244 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13408605 UPBHDNBADOAHCA-CZUPSRJTSA-N 332.484 4.242 0 40 EIAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCC1 14094805 CBUMPUUPSWXXKQ-UHFFFAOYSA-N 345.446 4.015 0 40 EIAB CCCCCn1c([C@@H]2CC(=O)N(CCCC)C2)nc2ccccc21 14095512 OTAONVLBELIDEH-MRXNPFEDSA-N 327.472 4.343 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(-c2ccccn2)n1 14159262 IQAPFVLUUGTKQT-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)Nc1ccccc1F 14815480 IILRYDQACAOEGO-UHFFFAOYSA-N 327.384 4.271 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cc1Cl 15390559 HUGSVUPYFDBSGS-GFCCVEGCSA-N 345.826 4.243 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 15905914 LKHISVRQKDLVPR-ZACCUICWSA-N 326.223 4.327 0 40 EIAB Sc1nnc(CSCc2ccccc2)n1Cc1ccccc1 17067125 KXBRAZIICFDRDA-UHFFFAOYSA-N 327.478 4.049 0 40 EIAB C[C@@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 21905936 UDKSZBGSKKHDCO-SFHVURJKSA-N 336.479 4.206 0 40 EIAB C[C@H](Sc1ccccc1Cl)C(=O)NC(=O)Nc1ccccc1 22066769 VPVQEDIBKOAHCE-NSHDSACASA-N 334.828 4.169 0 40 EIAB CC(C)(C)C1CCC(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 23101342 FKULQOXRYCFOBV-UHFFFAOYSA-N 343.515 4.151 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCCCC2)cc1 27581872 XYLNAHVWRMFSGL-OAQYLSRUSA-N 336.479 4.260 0 40 EIAB CCOc1ccccc1C(=O)Nc1cc(-c2ccc(F)cc2)no1 27990594 PVVLAJPEDJFEBK-UHFFFAOYSA-N 326.327 4.132 0 40 EIAB CCCCCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 29504611 ZEQICMCCFQBEQM-UHFFFAOYSA-N 329.444 4.099 0 40 EIAB C[C@@H](NC(=O)c1ccccc1Nc1ccc(F)cc1)c1cccnc1 32744822 RWFGRGHUKAZRAS-CQSZACIVSA-N 335.382 4.455 0 40 EIAB CC(=O)Nc1cccc(NC(=O)COc2ccc3ccccc3c2)c1C 32753714 GRZMCSLSLDQLTB-UHFFFAOYSA-N 348.402 4.124 0 40 EIAB Cc1c(C(=O)O)sc2nc(-c3ccc(Cl)cc3Cl)cn12 33418217 ZASSXQMYXGIDNO-UHFFFAOYSA-N 327.192 4.376 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cccc(F)c2)no1 36394258 BPLVALBWYSXPNG-LBPRGKRZSA-N 342.345 4.453 0 40 EIAB C[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1OC(F)F 40115186 ZVSJIADPUBYQIX-NSHDSACASA-N 341.304 4.257 0 40 EIAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 44848327 PQWLWFFFOAJEQR-HNAYVOBHSA-N 329.415 4.497 0 40 EIAB COc1ccccc1N1C(=O)/C(=C\c2sccc2C)SC1=S 47080691 XIRAYUCPBVTKTO-NTEUORMPSA-N 347.486 4.471 0 40 EIAB CC(C)N1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 54313660 BEKMKBIVNPGLLD-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB COc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 58160881 VTLYJTKIRNRKCQ-UHFFFAOYSA-N 346.430 4.013 0 40 EIAB CCc1c(C(=O)CN2CCC[C@H]2c2ccsc2)[nH]c(C)c1C(C)=O 58392669 VNFJDFHRGPVOCF-INIZCTEOSA-N 344.480 4.169 0 40 EIAB C[C@H]1CCc2nc3ccccc3c(C(=O)NOCc3ccccc3)c2C1 58393952 UZYRLSUTIIANET-HNNXBMFYSA-N 346.430 4.221 0 40 EIAB CCCn1c(SCc2cccc(F)c2)nc2ccccc2c1=O 59094204 GSXAJWOJZOAORF-UHFFFAOYSA-N 328.412 4.238 0 40 EIAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 61969281 UXIYNRSVBHINMZ-SWLSCSKDSA-N 341.407 4.482 0 40 EIAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 69385281 OZXYACYRGHBROK-QZTJIDSGSA-N 326.827 4.030 0 40 EIAB O=C([C@@H]1CC=CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 69418587 NCSIIBSYJQAYKE-SJORKVTESA-N 337.423 4.147 0 40 EIAB Clc1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1 71889762 OYGAZKFHRRARQK-UHFFFAOYSA-N 340.810 4.487 0 40 EIAB Clc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1 71890040 HYKIKELNQISWSW-UHFFFAOYSA-N 332.831 4.477 0 40 EIAB Cc1nc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccco2)cs1 72271607 LNAIEFJNUZFAGY-GFCCVEGCSA-N 345.424 4.111 0 40 EIAB O=C(c1cn[nH]c1-c1cccs1)N1CC=C(c2ccccc2)CC1 72328764 URDTTWSPWURIMI-UHFFFAOYSA-N 335.432 4.068 0 40 EIAB Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)n1 72380427 PGKVOPNVNJYRRT-IBGZPJMESA-N 345.450 4.261 0 40 EIAB O=C(c1ccccc1SCc1cscn1)N1C[C@@H]2CCC[C@H]2C1 89809606 JUFDMSBPTQOYDJ-KBPBESRZSA-N 344.505 4.308 0 40 EIAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCCOC(C)(C)C 95992782 FSCKSJUCWQLJAG-IYBDPMFKSA-N 346.515 4.340 0 40 EIAB Cc1nc2ccccc2n1CCc1noc([C@H](C)c2cccs2)n1 97377771 LXMWJOIPZFKMCH-GFCCVEGCSA-N 338.436 4.184 0 40 EIAB CC(C)(C)c1ncc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)s1 98055963 BUZFJBVSZWZHCT-WQLSENKSSA-N 345.855 4.414 0 40 EIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1 136490394 SXXMXLYOCWCRLF-ACJLOTCBSA-N 344.480 4.119 0 40 EIAB O=C(CCc1ccccc1)N1CCS[C@H](c2cccs2)CC1 219488979 HHUYXZVCYCHYCE-KRWDZBQOSA-N 331.506 4.388 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Cc3cc(C)ccc3C)s2)cc1 224381118 DEIUDKGRBDCFHZ-UHFFFAOYSA-N 337.448 4.312 0 40 EIAB CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OCC)cc2)o1 224915170 ZNOLSERJHPYLSQ-UHFFFAOYSA-N 336.391 4.157 0 40 EIAB Cc1cccnc1NC(=S)NCCCSCc1ccccc1F 225613600 NXVLWLGVHIONDQ-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB CCOc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225848404 QFFXLOBQGKIQLT-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccco1 226287588 WAAVJXXDAPBWFC-UHFFFAOYSA-N 332.359 4.001 0 40 EIAB O=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)NC1CCCCC1 227154388 BGMKUTJSWJMTON-UHFFFAOYSA-N 345.874 4.433 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)NC3CCCCC3)CC2)o1 227163759 VEQDTXLIZKYXQG-UHFFFAOYSA-N 333.476 4.194 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F 245180674 ZFZIGYFEWOFYLH-AWEZNQCLSA-N 325.383 4.252 0 40 EIAB Fc1ccc(Cc2cnc([C@@H]3CCCN3Cc3cncs3)o2)cc1 257277350 NXPRPXKDPNGMRI-KRWDZBQOSA-N 343.427 4.198 0 40 EIAB CCCCSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 409100397 NAMXWRBZNHPKCL-UHFFFAOYSA-N 328.416 4.361 0 40 EIAB CCc1ccc(-c2noc(CN(CC)[C@H]3CCOC(C)(C)C3)n2)cc1 585084873 RBDLDYBYVFMYKB-KRWDZBQOSA-N 343.471 4.079 0 40 EIAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(F)cc2)S3)cc1 93517 BLGKNKWLFDKEIB-HNNXBMFYSA-N 339.395 4.270 0 40 EIAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Cl)sc2n1 149929 QPCXMDKFNQKVIC-UHFFFAOYSA-N 331.828 4.401 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 514207 VXMUFQSIKJYGQT-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB O=C(Cc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 529097 LUOXXVIQKNWWSA-UHFFFAOYSA-N 345.358 4.178 0 40 EIAB Cc1nc2ccc(NC(=O)Nc3ccc(N(C)C)cc3)cc2s1 803408 ZUSOZNBYVRPVNO-UHFFFAOYSA-N 326.425 4.315 0 40 EIAB Cc1ccc(-n2c(S)nnc2-c2c(-c3ccccc3)noc2C)cc1 1256146 MMAZNGNGGCMZLU-UHFFFAOYSA-N 348.431 4.495 0 40 EIAB CCCCc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 2400424 GZXXACJIMNAYCV-OAQYLSRUSA-N 337.419 4.140 0 40 EIAB Cc1cccc(Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)c1 2419399 XEVHGWVKPXDCMN-INIZCTEOSA-N 329.403 4.441 0 40 EIAB O=C(O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 3299730 QFTBUYQYYPLHDV-UHFFFAOYSA-N 328.418 4.029 0 40 EIAB CCN(CC)C(=S)Oc1cccc(C(=O)Nc2ccc(C)cc2)c1 4357482 PQYRONOBQNKJNI-UHFFFAOYSA-N 342.464 4.253 0 40 EIAB O=C(NCCc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 6863244 KQPYALNDMDURNK-UHFFFAOYSA-N 327.186 4.497 0 40 EIAB Cc1ccc(OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1C 7055866 QWYIOZPAQOXGCP-UHFFFAOYSA-N 348.324 4.278 0 40 EIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2)c1 7061270 UWMMGEIDNIQCEV-OAHLLOKOSA-N 337.448 4.300 0 40 EIAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1Cl 7242314 ACCVFYLBGOLZBZ-LLVKDONJSA-N 332.806 4.407 0 40 EIAB O=C(CCC(=O)c1ccccc1)OCc1ncc(-c2ccccc2)o1 7396090 SENFPVVCUXQLOR-UHFFFAOYSA-N 335.359 4.048 0 40 EIAB Cc1ccc([C@@H](NC(=O)COc2ccccc2F)c2ccccc2)cc1 7686172 ACHIWSCTGAGMFB-QFIPXVFZSA-N 349.405 4.419 0 40 EIAB O=C(Cc1cccs1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688720 XGKZKFDHQNAPKZ-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB O=C(COc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 7890165 ZAXQBDDCEIORJO-LJQANCHMSA-N 341.407 4.172 0 40 EIAB Clc1ccc(CSc2nnc(C3CCNCC3)o2)cc1Cl 7997194 DMMYHGMXQPQICH-UHFFFAOYSA-N 344.267 4.136 0 40 EIAB CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccs1 8320552 PXUYXISESHQLFV-CQSZACIVSA-N 332.494 4.246 0 40 EIAB O=C(Nc1ccccc1C(=O)OCCC(F)(F)F)c1ccccc1 8327070 FKWSMHJTLYQQOD-UHFFFAOYSA-N 337.297 4.048 0 40 EIAB O=C(COc1ccccc1)Nc1ccc2c(c1)ncn2-c1ccccc1 9356221 MIMXCHXEPVKNQE-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB COc1ccccc1CCC(=O)Nc1ccccc1Br 9366720 QAXUWPHFPXZSIG-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB O=C(Nc1cccc2cccnc12)C1=C(c2ccccc2)SCCO1 12409856 ILEKRSFFGWNQBU-UHFFFAOYSA-N 348.427 4.306 0 40 EIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Nc2cccc3ccccc23)cc1 12597451 OXNVFMZIHUGOIR-CQSZACIVSA-N 332.403 4.482 0 40 EIAB Cc1ccc(OCc2nc(C(=O)Nc3cccc(F)c3)cs2)cc1 12775735 VGMNYOSDRVJGDQ-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1OC 12988060 LDSPXKMTUPXWLM-FDMDGMSGSA-N 327.449 4.306 0 40 EIAB CC(C)C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 16498878 RUIYLTREZKTITH-LJQANCHMSA-N 335.451 4.399 0 40 EIAB Cc1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc1C 17071432 FSAHLSSDKHRKME-UHFFFAOYSA-N 341.455 4.453 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1OC 17338712 PTPJUZHXKUSSNU-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB CCOc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1 19927690 RVONJWMWYKKOCM-XHDPSFHLSA-N 334.466 4.017 0 40 EIAB CSc1ccc([C@H](C)NC(=O)c2ccc(F)c(F)c2F)cc1 20029707 ONKUEBRVVPIATK-VIFPVBQESA-N 325.355 4.317 0 40 EIAB COc1ccc(NC(=O)c2cccnc2Nc2ccccc2F)cc1 22072074 KSVJJSQYTVUAQI-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 22700042 GTYKSVPWQNCRHS-UHFFFAOYSA-N 339.313 4.220 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)C1(C)C 25156835 LYHLATABDYOCRS-VQTJNVASSA-N 340.511 4.137 0 40 EIAB Cc1ccc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)s1 27920787 MTYDIIHMMOBHBD-UHFFFAOYSA-N 331.828 4.207 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(F)cc1 30859974 WDPZOTMUNIWNSN-FQEVSTJZSA-N 337.394 4.453 0 40 EIAB O=C(CCCOc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 32906288 OTTGFPLRWQEKBA-UHFFFAOYSA-N 331.431 4.070 0 40 EIAB CCSc1ccc(Cc2nnc(NC(=O)c3cccs3)o2)cc1 35588428 VVUVRZMFRNPLBI-UHFFFAOYSA-N 345.449 4.086 0 40 EIAB CCc1ccc(C(=O)c2ccccc2I)cc1 36941871 FMCYTJGVOGMFSV-UHFFFAOYSA-N 336.172 4.085 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(C)cc1Cl 45890351 FENBMRUBVJOLAF-UHFFFAOYSA-N 346.858 4.427 0 40 EIAB Cc1ccc(NC(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)c(C)c1 46089259 UUFWSHINMRXDIK-UHFFFAOYSA-N 339.395 4.057 0 40 EIAB CCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1 48234980 UMEAFRDBWDMYOK-LBPRGKRZSA-N 330.453 4.204 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 57413546 BQTXGOYQEBHSRM-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 57647968 GSMVYGFVLRZCNC-LJQANCHMSA-N 348.849 4.082 0 40 EIAB Cc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 58163348 KJGRWEPVUYIWDO-UHFFFAOYSA-N 330.431 4.313 0 40 EIAB O=C(Nc1ccncc1)N1CCc2sccc2[C@@H]1c1cccs1 58166136 XOGSGPOCFYFMIC-MRXNPFEDSA-N 341.461 4.384 0 40 EIAB O=C(c1cccnc1S)N1CC=C(c2cccc3ccccc23)CC1 58282020 WBHBIJJFWUVXGZ-UHFFFAOYSA-N 346.455 4.453 0 40 EIAB Cc1nc(C2(NC(=O)CC(C)(C)c3ccccc3)CCCCC2)no1 67032483 ZENXUJRWQUPJPG-UHFFFAOYSA-N 341.455 4.022 0 40 EIAB CC(C)Cc1nnc([C@H](C)Sc2nc3ncc(Cl)cc3[nH]2)o1 71893877 IYWRQGRKUZVLPY-QMMMGPOBSA-N 337.836 4.046 0 40 EIAB CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215396 ACECEPREPYDIJR-INIZCTEOSA-N 331.460 4.142 0 40 EIAB c1ccc([C@H]2c3cccn3CCN2CCc2ccc3c(c2)CCO3)cc1 72305145 FIEPNGPCWCDKPT-QHCPKHFHSA-N 344.458 4.071 0 40 EIAB C[C@@H]1CCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 79335608 SQLZHCRPBIEKJO-CQSZACIVSA-N 341.480 4.185 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1 89905739 JLRKPQHLRBDRAZ-MRXNPFEDSA-N 334.423 4.085 0 40 EIAB O=C(OCc1ccccc1)N1CCCC[C@H]1CSC(F)(F)F 91252878 NFOMEZNZXOSNKA-ZDUSSCGKSA-N 333.375 4.431 0 40 EIAB Cc1ccc(C[C@@H](C)NC2CCN(C(=O)CC(C)(C)C)CC2)s1 95422775 HJHLPGYMFNPAOV-CQSZACIVSA-N 336.545 4.004 0 40 EIAB Cc1cnc([C@@H](C)CNC(=O)Nc2cccc(-c3ncco3)c2)s1 97113481 ICQXVHQCUFUDNL-NSHDSACASA-N 342.424 4.032 0 40 EIAB CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2 102664275 LIQGIGDGCZWTFC-MRXNPFEDSA-N 340.452 4.370 0 40 EIAB Cc1cnc([C@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 120919434 QNCWZWJUYKSEOA-SCLBCKFNSA-N 344.480 4.415 0 40 EIAB COc1ccc(/C=C/C(=O)O)cc1OC(=O)c1cccc2ccccc12 216943308 AWYOJWQPVQBUDO-ZRDIBKRKSA-N 348.354 4.165 0 40 EIAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1Cl 216954821 AKZFUGLTIUOWMV-UHFFFAOYSA-N 347.201 4.044 0 40 EIAB CSc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 223120484 QWSMPDNRPZXZPN-UHFFFAOYSA-N 345.902 4.034 0 40 EIAB COc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1Cl 223339473 ALTGQZRCYVHYJV-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 224421679 KYBZNOKVRKCHSB-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1cc(C)cc(C)c1C)C(=O)O 225118410 IOFVQUMTDGVNAE-IBGZPJMESA-N 328.408 4.004 0 40 EIAB COc1cc(SC)ccc1NC(=O)c1cccc([C@H]2CCOC2)c1 278380077 SUFRWHXWRIVMKX-HNNXBMFYSA-N 343.448 4.173 0 40 EIAB O=C(NCCc1ccc(-c2ccoc2)s1)NCc1cccs1 390828194 AGWVLTYSQROYLN-UHFFFAOYSA-N 332.450 4.112 0 40 EIAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)sc1-c1ccccc1 526052352 DBEXVYRVULUWFS-UHFFFAOYSA-N 336.416 4.075 0 40 EIAB O=C(NCCc1ccccc1)NCc1ccc(-c2ccsc2)o1 575609328 BAHOEBBLKBYDFR-UHFFFAOYSA-N 326.421 4.050 0 40 EIAB O=c1[nH]c(-c2cccs2)nc2c1sc(=S)n2-c1ccccc1 108864 ICGYHUZPLFYPFR-UHFFFAOYSA-N 343.458 4.233 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 127326 WZUCXIMRNNNQNK-UHFFFAOYSA-N 334.828 4.101 0 40 EIAB C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 143766 MFNSLKMTFOOJKS-QMMMGPOBSA-N 342.675 4.210 0 40 EIAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 383130 HNYJEFIKVCVIDI-UHFFFAOYSA-N 335.436 4.212 0 40 EIAB Cc1ccc(NC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1 411256 XFRHOFUBJFXNNK-UHFFFAOYSA-N 344.414 4.281 0 40 EIAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 523771 SQOWCARFNJILJL-UHFFFAOYSA-N 339.342 4.386 0 40 EIAB CCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21 531422 OOTUNTOVVJLPRW-UHFFFAOYSA-N 325.412 4.076 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3Cl)oc2c1 557361 JFGZNLMNADORNT-UHFFFAOYSA-N 343.770 4.000 0 40 EIAB CN(CCOc1ccc(Cl)cc1)CCOc1ccc(Cl)cc1 1593125 YIEIQLLNLGZWJS-UHFFFAOYSA-N 340.250 4.383 0 40 EIAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(C)C3=O 2380371 LTJZLLJGCORYNJ-LJQANCHMSA-N 347.414 4.400 0 40 EIAB CCOC(=O)c1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 3285197 JCNUTHUGYWCWNR-UHFFFAOYSA-N 328.393 4.277 0 40 EIAB Cc1ccc(CN(C)CC(=O)Nc2ccccc2Cc2ccccc2)o1 3413281 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Cc1c(C)n(Cc2ccccc2)c2ncnc(NCc3ccco3)c12 6661145 BOXSQWGMRIUJAZ-UHFFFAOYSA-N 332.407 4.302 0 40 EIAB CC[C@@H](C)c1ccc(N[C@H](C)C(=O)NCc2ccc(OC)cc2)cc1 7241169 OOVWRPYRUDHUNE-HZPDHXFCSA-N 340.467 4.326 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)c2oc3ccccc3c2C)o1 7988066 ZYCSNFIHQGUVKB-UHFFFAOYSA-N 335.363 4.140 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1Cl 8060511 SDNPCLZSTRMZBT-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB COc1c(Cl)cc(C(=O)NCCc2ccc(F)cc2)cc1Cl 8077674 NHCSVCYONZRRFB-UHFFFAOYSA-N 342.197 4.114 0 40 EIAB C[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C[C@@H](C)O1 8078463 ZWJRXKLWRAPITF-VXGBXAGGSA-N 343.427 4.111 0 40 EIAB Cc1ccnc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 10430661 WSUPFHFPVYMZAO-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 11620657 UNLDUCSLQDMKFF-UHFFFAOYSA-N 343.858 4.299 0 40 EIAB CCOc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 13132343 OKCWYSCYQJCNJK-RTBURBONSA-N 334.423 4.132 0 40 EIAB C[C@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 13154049 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EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(C)cc1 23530393 ABYAXGMZSDLVOM-OAHLLOKOSA-N 329.465 4.114 0 40 EIAB COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CC2)c1 25494076 ITTAHOJBRRQVPK-UHFFFAOYSA-N 329.827 4.039 0 40 EIAB Cn1ccnc1[C@H](NCc1ccccc1Cl)c1ccc(F)cc1 30644310 ZKJDGWXURFSCAZ-QGZVFWFLSA-N 329.806 4.092 0 40 EIAB O=C(COC(c1ccccc1)c1ccccc1)NCc1cccs1 32481636 GEQREASHBWCZDH-UHFFFAOYSA-N 337.444 4.171 0 40 EIAB CCn1ncc(Br)c1C(=O)Nc1cccc2ccccc12 32648474 MNRXWNHKSAFFKQ-UHFFFAOYSA-N 344.212 4.071 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCc1nc2ccccc2s1 36621967 FHQPDINJJIHNGG-UHFFFAOYSA-N 348.427 4.145 0 40 EIAB Cc1cc(C(=O)N2CCCCc3ccccc32)c2cnn(C(C)C)c2n1 40133908 ARQLNWDZUDOQOG-UHFFFAOYSA-N 348.450 4.304 0 40 EIAB Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)s1 48312675 OWBRHYMHQGGVRX-MRXNPFEDSA-N 335.494 4.063 0 40 EIAB O=C(Nc1ccccc1F)N1CCc2cc(Br)ccc21 49337089 OIARYVSDRMLGKX-UHFFFAOYSA-N 335.176 4.183 0 40 EIAB Cc1sc2nc(CN3CCC[C@@H]3c3cccs3)nc(N)c2c1C 57270832 DYYPZLULDLJBDB-GFCCVEGCSA-N 344.509 4.289 0 40 EIAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1cnc(C(C)(C)C)nc1 58427248 HVFJOCVMHRBEEJ-UHFFFAOYSA-N 332.473 4.089 0 40 EIAB O=C(Nc1cccc2[nH]ccc12)c1cc(Cl)c2c(c1)OCCCO2 65562397 QMNLPRRXXMEJSL-UHFFFAOYSA-N 342.782 4.235 0 40 EIAB COCc1ccccc1CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 65587408 SNTPNASLQSAJFC-ZDUSSCGKSA-N 348.393 4.014 0 40 EIAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nnc(C2CC2)s1 65607748 NWOGQYBFKVHLSL-UHFFFAOYSA-N 342.449 4.100 0 40 EIAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 66089059 OWBOASHTZOCCEE-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1 67263910 RKQWUAUNJWCATH-CQSZACIVSA-N 341.411 4.132 0 40 EIAB Cc1sc(Nc2ncccn2)nc1-c1ccc(Br)cc1 67322075 PDVIXDYCFHXEOG-UHFFFAOYSA-N 347.241 4.415 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)o1 69389762 ZFVOWURMNFLAOP-UHFFFAOYSA-N 345.449 4.460 0 40 EIAB CCCn1ccc2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc21 71920099 BQIKWVAPINMRMI-UHFFFAOYSA-N 340.427 4.320 0 40 EIAB COc1ccc(-c2csc(CNC(=O)c3ccc(C)s3)n2)cc1 72264920 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CCc1ccc(CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 224377279 BDLAUNLKWUOGEU-UHFFFAOYSA-N 339.479 4.328 0 40 EIAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccc(C)c(C)c1 224617776 WLHXNOSLEIZOPW-UHFFFAOYSA-N 339.435 4.173 0 40 EIAB COCCN(Cc1ccsc1)C(=O)c1cc2ccccc2s1 225617765 OXHZPIWIQZFFSS-UHFFFAOYSA-N 331.462 4.252 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 225868071 QNWQPMJYUYHWBJ-UHFFFAOYSA-N 328.387 4.070 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([C@H](C)O)c1 226274404 PORMLTLMZGGHQK-VIFPVBQESA-N 340.206 4.308 0 40 EIAB C[C@@H]1CN(Cc2ccccn2)CC[C@H]1N[C@H]1CCCc2sccc21 245304967 HIPXPRGUIYLXAL-LZQZEXGQSA-N 341.524 4.021 0 40 EIAB CCOc1cc(C(=O)N(CC)CC)ccc1OCc1ccccc1 409369858 GNBSYQFBCHHUAU-UHFFFAOYSA-N 327.424 4.146 0 40 EIAB COc1ccc(C(=O)NCc2ccc(-c3ccsc3)o2)cc1F 575609832 HWCARYMLLOZRNV-UHFFFAOYSA-N 331.368 4.086 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccsc1)c1ccco1 669463044 JGWBQGDBKIFFLC-YOEHRIQHSA-N 341.432 4.057 0 40 EIAB CC(C)(C)OC(=O)N[C@H]1C[C@H](c2cccc(Br)c2)C1 1535640720 VLFLXCUEXIYBCG-AULYBMBSSA-N 326.234 4.220 0 40 EIAB Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)O[C@@H](C)C2)c1F 1551360045 VQKIDQDJRYHWGV-YJBOKZPZSA-N 327.399 4.126 0 40 EIAB O=C(c1cncc(Br)c1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001663 FMWLELVSRHVLMD-HOTGVXAUSA-N 347.256 4.092 0 40 EIAB O=C(NCCc1ccc(-c2ccco2)s1)NCc1ccc(F)cc1 2086896610 BZMDOXNWBOJOEM-UHFFFAOYSA-N 344.411 4.189 0 40 EIAB S=c1sc2c(N3CCCCC3)ncnc2n1-c1ccccc1 32675 GPOWGLGUMGXQRN-UHFFFAOYSA-N 328.466 4.202 0 40 EIAB CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(OC)cc1 214225 BQSQQRJRLADTAC-UHFFFAOYSA-N 349.390 4.073 0 40 EIAB O=C(CSCc1ccc(F)cc1)NCCc1ccc(Cl)cc1 262677 QIUUTHWWJKSDNK-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB Cc1ccccc1N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 364698 NPXBZBKADVFZIU-LLVKDONJSA-N 337.678 4.266 0 40 EIAB CCOc1ccc(N2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 1235752 RSCQQESBBZNHOH-VBKFSLOCSA-N 325.389 4.326 0 40 EIAB Cc1ccc([C@H](OC(=O)c2cccs2)C(=O)NC2CCCC2)cc1 1381176 WPZKQPMEHLGOPL-KRWDZBQOSA-N 343.448 4.013 0 40 EIAB CC(C)c1ccccc1NC(=S)NCc1ccc2c(c1)OCO2 2226227 NXQVOQLDRGBMQZ-UHFFFAOYSA-N 328.437 4.025 0 40 EIAB O=C(c1cccc(CN2CCSCC2)c1)c1ccc(F)cc1Cl 2515303 LVOVWRYMDHDWFL-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB O=C(CSC(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 3238799 JDVHBCLLOPFCBZ-UHFFFAOYSA-N 339.338 4.218 0 40 EIAB COc1ccc2nc(NC(=O)Cc3ccccc3Cl)sc2c1 3479236 IJFSPPDUYKSCHF-UHFFFAOYSA-N 332.812 4.140 0 40 EIAB COc1ccc2oc(C(=O)OCCOc3ccc(C)cc3)c(C)c2c1 4319072 SLKUZRHTHPZUCL-UHFFFAOYSA-N 340.375 4.294 0 40 EIAB CCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4342017 RWQJMMVQMVZJOL-UHFFFAOYSA-N 344.317 4.312 0 40 EIAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1 5034122 POBSFLMGRGNKTH-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB Cc1nc(-c2c(C(F)(F)F)oc3cc(O)cc(C)c3c2=O)cs1 5730272 XJJADFGTROJYRH-UHFFFAOYSA-N 341.310 4.258 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 6332864 WRFIWQJIHMEPIZ-UHFFFAOYSA-N 327.714 4.202 0 40 EIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 7884001 CUMQGZIHFJGIJE-NRFANRHFSA-N 344.414 4.467 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 7944154 XUKFGRADLBAZHP-UHFFFAOYSA-N 342.402 4.040 0 40 EIAB O=C(Cc1c(F)cccc1Cl)NCCCn1ccc2ccccc21 7990429 FBOKFIQFBBZGSH-UHFFFAOYSA-N 344.817 4.183 0 40 EIAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 8917001 JQXYHFMNHYNUMT-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 9684003 IKBPHGJVJFODSZ-UHFFFAOYSA-N 347.798 4.332 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10458053 UAEUOXMBDOEINC-UHFFFAOYSA-N 344.842 4.051 0 40 EIAB Cc1ccc(-c2noc(-c3cc4cc(Cl)ccc4oc3=O)n2)cc1 12879955 KMQQAVFUJKFNBX-UHFFFAOYSA-N 338.750 4.472 0 40 EIAB CC[C@@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12935146 MOOTVQREWWKCQT-CYBMUJFWSA-N 335.403 4.297 0 40 EIAB COc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 12992145 CABBMDZSXBQVBO-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1 13049180 MSFHZLCMFLQAIP-KXBFYZLASA-N 327.424 4.038 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 14401804 RLVIRPBIBNPMLI-CYBMUJFWSA-N 341.904 4.289 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)cc1 14554145 YCJSSIOIGYFWOZ-FMIVXFBMSA-N 328.437 4.073 0 40 EIAB O[C@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 19990569 DHFKOHSBFPYHRO-GOSISDBHSA-N 327.811 4.423 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1OCC 20494581 REYKYFRSIVPBMR-UHFFFAOYSA-N 331.387 4.194 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 24208770 JCMFCRVJJFKHMG-GUYCJALGSA-N 345.439 4.255 0 40 EIAB CN(CC(=O)Nc1cccc2ncccc12)[C@@H]1CCCc2ccccc21 25948837 GNXCGPDWEOBOJT-OAQYLSRUSA-N 345.446 4.183 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)COC12CC3CC(CC(C3)C1)C2 27533972 SDEPULSXAHNYTN-IGDKPHCXSA-N 337.548 4.137 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)s1 27922020 SSZCDNXQEKXPCH-UHFFFAOYSA-N 339.464 4.479 0 40 EIAB COc1ccc2nc(S[C@@H](C)c3nc(-c4ccco4)no3)[nH]c2c1 29737588 WEXDRXMQVZISFI-VIFPVBQESA-N 342.380 4.068 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1Cl 32644439 HIWLABLRCKMXAX-UHFFFAOYSA-N 335.835 4.290 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(C(C)C)cc3)c(=O)oc2c1 33809366 NVXPCFLGVLLSGF-UHFFFAOYSA-N 337.375 4.177 0 40 EIAB CC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 34375108 XKGLMCHEWAJRKU-XVYLQWLCSA-N 331.500 4.103 0 40 EIAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1 35318816 HHRZGQGIZAKILL-OAHLLOKOSA-N 327.428 4.145 0 40 EIAB C[C@@H]1C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 35458855 XWKYXEIGWQYOCY-KWLVRGKZSA-N 332.440 4.047 0 40 EIAB biogenic,in-vitro Cc1cccc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)n1 40156836 YBOJJJADYQIFHW-UHFFFAOYSA-N 337.810 4.285 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@H](c3cccc(O)c3)O2)C1 40450003 ISFDSEQAKHNOGE-VQIMIIECSA-N 333.428 4.013 0 40 EIAB Cc1ccc(-c2nnc([C@H]3CCN(CCCc4ccccc4)C3)o2)cc1 49169923 HBIQNLCGHQQXBY-FQEVSTJZSA-N 347.462 4.467 0 40 EIAB biogenic,in-vitro CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cc2ccccc2o1 58198017 PBCDUTCQPZBBHU-CQSZACIVSA-N 347.418 4.252 0 40 EIAB CCN(CC)[C@H](CNC(=O)Nc1c(C)cc(C)cc1C)CC(C)C 58209315 ZJKLFOQURVMXQV-SFHVURJKSA-N 333.520 4.490 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)Nc2cc(C(F)(F)F)no2)c1 60382104 VENFSFNOBSIUBO-JTQLQIEISA-N 327.306 4.193 0 40 EIAB Cc1ccc2c(CC(=O)[C@H](C#N)c3nc4ccccc4o3)coc2c1 66516875 BQUUHPWKDIPSIK-HNNXBMFYSA-N 330.343 4.301 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(F)c2C)c1 71760532 LJSOFCMPQUWHDE-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2Cc2ccccc2)n1 72378666 BIZHFRNUWHXQEJ-IBGZPJMESA-N 347.466 4.123 0 40 EIAB c1ccc(-c2nc(CN3CCOCC3)sc2-c2ccccc2)cc1 78594671 YYMOECZQQWTNDG-UHFFFAOYSA-N 336.460 4.309 0 40 EIAB CC(C)N(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C1CC1 84597218 DHSIJTFTHBTJJI-HXUWFJFHSA-N 349.430 4.154 0 40 EIAB CCc1nc([C@@H](C)Sc2nnc(N)s2)oc1-c1ccccc1 95416404 NDSSLHICICXSHQ-SECBINFHSA-N 332.454 4.191 0 40 EIAB Cc1ocnc1C(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95449201 FPTZNKQNSYWCGQ-LLVKDONJSA-N 332.709 4.060 0 40 EIAB COc1ccc([C@@H](NCc2c(C)noc2C)c2ccc(C)cc2)cc1 95955438 VQZRZYRMGSMGMY-NRFANRHFSA-N 336.435 4.488 0 40 EIAB CC(=O)Nc1cccc2c1CCN([C@@H](C)c1ncc(C(C)(C)C)o1)C2 96447034 ZYMDZKSEGZQNIV-ZDUSSCGKSA-N 341.455 4.050 0 40 EIAB COc1ccc2oc([C@@H](C)NCc3nnc(C(C)C)o3)c(C)c2c1 97112144 GEIOPLUSGPRZJY-GFCCVEGCSA-N 329.400 4.107 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCCCCCCCC1)[C@H]1C=C[C@H]2C1 100936974 ZVXZYLUIOPONDY-CAMMJAKZSA-N 329.484 4.467 0 40 EIAB CC(C)C(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 107058475 FNWJCNKFBWSMCV-XNJGSVPQSA-N 340.870 4.023 0 40 EIAB Brc1cc(C2OCCO2)ccc1OCc1ccccc1 141541498 HOUVWMNIQUXXQH-UHFFFAOYSA-N 335.197 4.074 0 40 EIAB Cc1cc(NC(=S)NCCCc2ccc(F)cc2)ncc1Cl 223967143 FQRLQOYRODBPBU-UHFFFAOYSA-N 337.851 4.102 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 224988700 GBIADDRTTUYNTN-UHFFFAOYSA-N 349.833 4.386 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2c1 225113776 BHPFSZWNAJJTME-UHFFFAOYSA-N 347.823 4.303 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225477215 HTQFHCFJQOKVTL-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB Cc1ccc([C@H](NC(=S)Nc2ccncc2)c2ccccc2)cc1 225512886 SXMOBPVJCDEGLU-LJQANCHMSA-N 333.460 4.466 0 40 EIAB O=C(NCc1ccnc(-c2cccs2)c1)c1cccc(Cl)c1 225651735 YCBUSOLITXGFMP-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB O=C(NCCSCc1ccc(Cl)cc1)NC1CCCCC1 225754427 AGRUGAAJWRYRGS-UHFFFAOYSA-N 326.893 4.205 0 40 EIAB Cc1cc(C)cc(NC(=O)c2snnc2-c2ccc(F)cc2)c1 225777990 ANTRDVFWQRUWOT-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB CCc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1 226309479 LFXCISODASAZMO-UHFFFAOYSA-N 346.843 4.050 0 40 EIAB O[C@@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1F)CN2Cc1ccccc1 247854358 IRZZQHFNRRRFMO-PDGJWGCVSA-N 339.454 4.345 0 40 EIAB O=C(O)[C@@H]1CN[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)S1 408979179 POEFQJXNTOMDOP-WCQYABFASA-N 344.219 4.042 0 40 EIAB C[C@H]1C[C@@H](N2CCCC2)CN1c1nc(-c2ccc(F)cc2)cs1 557737222 QMLQDWXMOAKBMF-XJKSGUPXSA-N 331.460 4.012 0 40 EIAB CCCSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 1889062013 AWIFNRLPYZBHID-UHFFFAOYSA-N 346.477 4.017 0 40 EIAB CC(C)Nc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 53741 YNTDBPAUQANPAG-UHFFFAOYSA-N 331.729 4.108 0 40 EIAB CSc1nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2s1 189360 OCBJBEIBIXCOSD-UHFFFAOYSA-N 343.477 4.337 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCN=C1SCc1ccccc1F 429434 YBGBVZQUWLDZEP-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB CC1(c2cccc[n+]2Cc2ccc(Cl)c3ccccc23)OCCO1 1565468 HZSADIUJGCWVEU-UHFFFAOYSA-N 340.830 4.049 0 40 EIAB COc1ccc(C(=O)c2ccccc2C(=O)c2ccc(OC)cc2)cc1 1593616 GLWMPBOUDUKCID-UHFFFAOYSA-N 346.382 4.166 0 40 EIAB CCCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 1927077 HMCWWZASDNMFIT-UHFFFAOYSA-N 335.451 4.465 0 40 EIAB CCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 3012040 NYQUDNZZMYFZSY-UHFFFAOYSA-N 347.223 4.089 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COc1ncnc2ccccc12 3258940 HRBKKVPIEDQUTM-VKJFTORMSA-N 342.439 4.013 0 40 EIAB CCCc1ccc(C(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 3361788 NCDYKQFBVRWDPG-CYBMUJFWSA-N 325.437 4.045 0 40 EIAB CCCCCc1c(C)c2ccc(O[C@H](CC)C(=O)O)cc2oc1=O 4109585 ANOQLUYMPCZOPM-MRXNPFEDSA-N 332.396 4.076 0 40 EIAB Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1 5268285 FXEZZUJAIQMMEE-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)OC/C=C/c2ccc3c(c2)OCO3)C1(C)C 5430865 URWLGILKUJFTEN-HLJKATFASA-N 328.408 4.210 0 40 EIAB CC(C)c1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 5557239 MLYOIBSNIKQNSE-UHFFFAOYSA-N 327.468 4.274 0 40 EIAB CCN(C(=O)c1cccc(OC)c1)c1nc2c(C)cccc2s1 6627823 KZMRVHQTKQSHME-UHFFFAOYSA-N 326.421 4.280 0 40 EIAB COc1ccc(C(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc1 6747574 DYEXRGJJRNNFGO-UHFFFAOYSA-N 339.366 4.270 0 40 EIAB O=C(O)c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 7092941 BSNHEYIIRLUXNP-XWCIJXRUSA-N 336.347 4.120 0 40 EIAB O=C(/C=C/c1cc(Br)ccc1F)NC1CCCCC1 7608987 JYTQKFHZLRRUGN-RMKNXTFCSA-N 326.209 4.050 0 40 EIAB CCOC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 12655189 HCOFXQSIDBJZIL-UHFFFAOYSA-N 328.755 4.234 0 40 EIAB CC[C@@H]1c2ccsc2CCN1CC(=O)NCc1cccc(Cl)c1 12976818 GDBJFRWLLMHENK-MRXNPFEDSA-N 348.899 4.027 0 40 EIAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13253634 IOKMYVLRPTUSGT-HTQZYQBOSA-N 348.613 4.252 0 40 EIAB COc1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1OC 13803197 VZHPMPGNKPLRKO-UHFFFAOYSA-N 345.464 4.007 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(C)C)c1C 14112095 JOVKQGKNQDUEEK-UHFFFAOYSA-N 328.412 4.184 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2c(C)noc2n1 14180472 RDIFVRAJQTVIDX-UHFFFAOYSA-N 336.178 4.399 0 40 EIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1Cl 14244092 QKKZRIVTNPLBIC-SFHVURJKSA-N 346.833 4.046 0 40 EIAB c1cncc([C@@H]2CCCCN2CN2CCCC[C@H]2c2cccnc2)c1 19321971 KFIPVCUMEJOXQF-SFTDATJTSA-N 336.483 4.188 0 40 EIAB biogenic Cc1scc(C(=O)NC2CCN(C(C)C)CC2)c1-c1ccccc1 20294117 LCTNNRILOQNMSE-UHFFFAOYSA-N 342.508 4.326 0 40 EIAB CCN(CC)CCC[C@@H](C)NCc1cc(Br)cs1 20306069 JKSWTNVJFBWRJW-GFCCVEGCSA-N 333.339 4.111 0 40 EIAB COc1ccc(Cl)cc1NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 24214708 PHJOEFQUXUPKBE-AWEZNQCLSA-N 346.858 4.255 0 40 EIAB CN(C)Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl 24809846 QQZBTUCCKRVPQK-UHFFFAOYSA-N 337.250 4.236 0 40 EIAB COc1cc(OC)c(OC)cc1CNc1cc(C)nc2ccccc12 32902983 UJDFDMPILVKMLH-UHFFFAOYSA-N 338.407 4.181 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1Cl 32930793 NQVOBXGWJQETPK-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB CCn1ncc2c(C(=O)NC(C)(C)CC)cc(-c3ccccc3)nc21 32967719 MKXOLJNUMDNRTM-UHFFFAOYSA-N 336.439 4.037 0 40 EIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1Cl 33632039 JAVOKYVQMZFSBM-AWEZNQCLSA-N 334.828 4.108 0 40 EIAB COc1cc2c(cc1OC)[C@H](c1c(Cl)cccc1Cl)NCC2 35185326 ZLYJHZICCQMVIA-QGZVFWFLSA-N 338.234 4.246 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl 38849658 SVLYJLYCQVQRKV-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccc(F)cc1 40106905 ALPXJZJOOPSAGS-VZUCSPMQSA-N 338.382 4.135 0 40 EIAB Cc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1 44028581 SEXVUQJGWAYKCD-GXDHUFHOSA-N 341.208 4.303 0 40 EIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1 46895163 VILXOLCPKKIKHB-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CCNc1ccc(C(=O)Nc2cc(Br)ccc2OC)cc1 50790962 FBDYPYDECIYUNG-UHFFFAOYSA-N 349.228 4.142 0 40 EIAB FC(F)(F)COCCCN1CCC(c2cc3ccccc3[nH]2)CC1 58426050 JICHOHLKROCBOD-UHFFFAOYSA-N 340.389 4.316 0 40 EIAB FC(F)(F)CN1CC[C@H](NCc2cccc(-c3ccccc3)c2)C1 60953159 MBDWZUGKENPMIX-SFHVURJKSA-N 334.385 4.080 0 40 EIAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1)N1CCCC1 67288196 XHOCHONZTXNLGL-UHFFFAOYSA-N 349.409 4.222 0 40 EIAB CC[C@@H](NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1 71915973 XWQOFXKXJYQBMD-CYBMUJFWSA-N 333.461 4.118 0 40 EIAB O=C(Nc1ncc(-c2ccccc2)s1)NC1(CCO)CCCCC1 75106552 OMTROEXIGNKMKU-UHFFFAOYSA-N 345.468 4.017 0 40 EIAB O=C(C[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc(F)c(Cl)c1 76092391 YWBLFJPCJUJSKZ-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB COc1ccc(-n2ncc3c2N=C(O)CS[C@@H]3CC(C)C)cc1 79478410 LYCHEJHEWQCILD-OAHLLOKOSA-N 331.441 4.303 0 40 EIAB O=C(OC1CCCCCC1)c1ccc(NC(=O)c2ccccn2)cc1 84609838 RRDFVFGLGDVODM-UHFFFAOYSA-N 338.407 4.214 0 40 EIAB C[C@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc2ccccc2o1 95423184 GGJSDLJECNOUKT-HNNXBMFYSA-N 336.435 4.028 0 40 EIAB Cc1nc(C)c(C(=O)NCc2ccccc2-c2ccsc2)s1 96383401 AYRMATYQRWIDMZ-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB Cc1sc2ncnc(Sc3nnc(C4CC4)n3C3CC3)c2c1C 96402269 FUMKHRDKYQYMCU-UHFFFAOYSA-N 343.481 4.263 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 96446747 OVGURIZOSNHUCM-JVPBZIDWSA-N 332.403 4.323 0 40 EIAB CCCc1csc(NC(=O)N2CCC[C@H]2c2ccc(COC)o2)n1 97161806 ORKZMXHDHJNHEK-AWEZNQCLSA-N 349.456 4.204 0 40 EIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 121456439 ALLFZNDLIUQUNM-SFHVURJKSA-N 339.435 4.046 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)CSC3CCCC3)C2)cc1 206882641 GKYXGYNGODZPFK-KRWDZBQOSA-N 347.524 4.467 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@H]1C 223473608 UEFOAEOAHIDLAQ-CVEARBPZSA-N 335.447 4.311 0 40 EIAB C[C@H](NC(=S)Nc1ccc(N2CCCCC2)nc1)c1ccccc1 223957364 NFDLCWVXXBTABO-HNNXBMFYSA-N 340.496 4.120 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(C)c(C)c1 224285551 QPLCVSFGHZXCAE-UHFFFAOYSA-N 341.451 4.419 0 40 EIAB CCCOCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 224412103 CZMGKIWCTWMFBY-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COC(C)C 224423699 BWFHVESMTSOZJX-UHFFFAOYSA-N 327.424 4.489 0 40 EIAB O=C(Cn1ccc2ccccc21)NCc1cccnc1-c1ccsc1 225646643 NSRKZWHJTQOHIN-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB CCc1ccccc1NC(=O)CCc1nc(-c2ccccc2C)no1 225815396 HRDYVXBKTSAQSE-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(-n2cccc2)cc1 226630306 LMCMPZKWGQMQBI-NDXORKPFSA-N 330.431 4.458 0 40 EIAB CCOC(=O)[C@@H]1CN(N=O)[C@@H](c2ccccc2)C[C@H]1c1ccccc1 245239028 DPZKOOVUUPQRNK-IPMKNSEASA-N 338.407 4.078 0 40 EIAB Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H]1c1ccccc1 257222705 DUKCEKFRKWXVJG-MRXNPFEDSA-N 339.826 4.273 0 40 EIAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260753013 APLYOUDTQPHMQJ-XOKHGSTOSA-N 326.469 4.053 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 263598220 HQSMCZUWNSZKIC-ITXZTEAGSA-N 328.452 4.370 0 40 EIAB C[C@@H](N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 529539802 UVULMLKXJCFEHM-RDTXWAMCSA-N 344.405 4.390 0 40 EIAB C[C@H](NCCc1ccc2ccccc2n1)c1ccc2c(c1)CCC(=O)N2 562315124 MGDZFJFIFRGNCR-HNNXBMFYSA-N 345.446 4.013 0 40 EIAB O=C(Nc1ncccc1-c1ccccc1)[C@@H]1COc2ccc(F)cc2C1 1116513809 XZXBTIBDKZWYLV-INIZCTEOSA-N 348.377 4.078 0 40 EIAB CC(C)N[C@H]1C2CCC(CC2)[C@]1(O)c1ccc(Cl)c(Cl)c1 1150 MQILJMOEUMZBHK-BRXCMPCDSA-N 328.283 4.368 0 40 EIAB in-man Cc1ccccc1C1=N/C(=C\c2ccccc2C(F)(F)F)C(=O)O1 177979 QHEPWESOMOABRZ-GDNBJRDFSA-N 331.293 4.358 0 40 EIAB CC(C)C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 241432 ZHSJWQULLGUQDL-NSHDSACASA-N 344.069 4.220 0 40 EIAB Cc1ccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c(C)c1 385317 IMVCIGHZMKWCEM-UHFFFAOYSA-N 338.411 4.200 0 40 EIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)c1 505872 LVMGAIJJPAINPZ-UHFFFAOYSA-N 336.819 4.223 0 40 EIAB Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 1425123 NCNJBWRSFAGLDB-ZDUSSCGKSA-N 341.407 4.318 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)c2ccc3ccccc3n2)cc1C 2630915 OPQLDWONZQLNHB-UHFFFAOYSA-N 333.387 4.200 0 40 EIAB CCc1cc2c(SCC(=O)Nc3ccc(C)cc3)ncnc2s1 3240416 HOLXSGPWFDVMLM-UHFFFAOYSA-N 343.477 4.293 0 40 EIAB C=C1C[C@H]2[C@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 4025775 JKPFAFOFFYRBDB-AASJXKLDSA-N 342.479 4.005 0 40 EIAB biogenic Cc1ccc(C)c(CN2CCC(n3nnc4cc(F)ccc43)CC2)c1 4399943 NZZQSURXSGKBES-UHFFFAOYSA-N 338.430 4.024 0 40 EIAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccs1 4479412 VQIIKFUUODCBRY-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB c1ccc(CN2CN(Cc3ccco3)Cn3c2nc2ccccc23)cc1 7499249 RMQNTCISQPOWJM-UHFFFAOYSA-N 344.418 4.067 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(F)c1 7514029 ICDQEAZYXZOJTR-GFCCVEGCSA-N 325.339 4.044 0 40 EIAB COc1ccc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)cc1 7769624 KUYRUWXQFXAZSR-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 7935360 UVFCKCXHQDHAGL-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB CCn1ncc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c1C 8782458 QHKMSZUKBOOGJB-UHFFFAOYSA-N 349.360 4.056 0 40 EIAB O=C(Nc1ccccc1F)C1=Cc2cc(Br)ccc2OC1 10366754 XGBSQKNAIYCKKP-UHFFFAOYSA-N 348.171 4.003 0 40 EIAB CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3cc(C)sc3C)cs2)c1 10521026 UIZPAWHGNSGTRF-UHFFFAOYSA-N 345.449 4.271 0 40 EIAB O=C(NCCCn1cnc2ccccc21)c1cc(Cl)ccc1Cl 12490300 AFQMWBQITLPQTM-UHFFFAOYSA-N 348.233 4.163 0 40 EIAB CC(C)c1ccccc1NC(=O)CCCNC(=O)c1cccs1 12914162 AIEITAWOZKVAED-UHFFFAOYSA-N 330.453 4.020 0 40 EIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(C)cc1 14202068 GFBYOHTVLIRWNT-UHFFFAOYSA-N 340.383 4.082 0 40 EIAB Fc1ccc(-c2nc(CSc3nncn3C3CC3)cs2)cc1 14846393 KLWJOEIOOQOWIZ-UHFFFAOYSA-N 332.429 4.168 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 15028454 ZZGDLBXRBLIEGA-LBPRGKRZSA-N 335.856 4.146 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2ccccc2)cc1OC 15339879 QPLWJYZNPNZPHC-LBPRGKRZSA-N 333.815 4.238 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 15361023 BXKSCKLFSCBGAA-ZDUSSCGKSA-N 333.815 4.453 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2F)cc1 15581502 NGEPVZNJNQXMDG-QHSLDKKCSA-N 325.383 4.211 0 40 EIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C1CCCCC1 16780173 YBCBCLGHZJRVTH-UHFFFAOYSA-N 345.892 4.000 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccs1 20139477 NTZPHCFLEGSWNT-UHFFFAOYSA-N 333.796 4.406 0 40 EIAB CCOc1c(CNc2ccc(C(=O)O)c(Cl)c2)cccc1OC 20175474 LMCFBFOPMBQAMU-UHFFFAOYSA-N 335.787 4.058 0 40 EIAB O=C(COc1cccc(F)c1)N[C@H](c1ccc(Cl)cc1)C1CC1 21829776 XRJZHVPCXAAUOW-SFHVURJKSA-N 333.790 4.125 0 40 EIAB COc1ccc(-c2c[n+](-c3ccc(C)cc3)c3n2CCCCC3)cc1 27788792 KQYFWWBCOZOWFP-UHFFFAOYSA-N 333.455 4.475 0 40 EIAB O=C(Nc1nccs1)c1ccc(COc2ccc3c(c2)CCC3)o1 27983249 MWJYXTDNEDAEJY-UHFFFAOYSA-N 340.404 4.056 0 40 EIAB O=C1CCCc2cc(-c3csc(Nc4ccccn4)n3)ccc2N1 30447091 SLHJGIUQYCLVMH-UHFFFAOYSA-N 336.420 4.224 0 40 EIAB CC(C)c1ccc(CN(C)Cc2nc(O)c3sccc3n2)cc1 35301349 NWWPWQIAPVJZMO-UHFFFAOYSA-N 327.453 4.152 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccn(-c2ccccc2)n1 44465623 XOPZEMCXRMQRAA-OAHLLOKOSA-N 337.448 4.133 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(C)cc1)C3 55396219 YTINLMADNOKSFV-UHFFFAOYSA-N 335.403 4.016 0 40 EIAB biogenic CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(OC(C)C)nc2)c1 58107485 XSDNNGAZQCMORT-OAHLLOKOSA-N 342.439 4.147 0 40 EIAB Cc1cccc([C@H]2CCCN2Cc2csc(-c3cnn(C)c3)n2)c1 65533971 AGVLJQLMKZBORH-GOSISDBHSA-N 338.480 4.189 0 40 EIAB Cc1cc([C@H]2CCCN2Cc2nc(-c3ccsc3)oc2C)on1 69490910 XVOARWDAELZSCF-OAHLLOKOSA-N 329.425 4.345 0 40 EIAB O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 71888325 WEWKFYZOBUMLEA-LPHOPBHVSA-N 326.440 4.181 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1Br 72211646 XCKNXQXYNNLEJF-HNNXBMFYSA-N 345.240 4.212 0 40 EIAB O=C(N[C@H]1CCN(C2CCCCCC2)C1)c1ccc2ccccc2c1 72230580 UTVPORVYLDYPOO-FQEVSTJZSA-N 336.479 4.367 0 40 EIAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357791 OROFEWLYXLSRKS-OAQYLSRUSA-N 343.430 4.045 0 40 EIAB O[C@H](CNc1ncnc2scc(-c3ccccc3)c12)c1ccco1 75668683 UUINKVKBRSQHPO-CQSZACIVSA-N 337.404 4.097 0 40 EIAB Cc1cnc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cn1 84258326 OEMDDGLGYHAGIJ-KSSFIOAISA-N 339.439 4.133 0 40 EIAB C[C@H](Nc1nc2ccccc2s1)c1ccc(N2CCOC2=O)cc1 95377592 BUWCJRJWLSURJT-LBPRGKRZSA-N 339.420 4.426 0 40 EIAB CC[C@@H](NC(=O)Nc1ccc(OC(C)C)cc1F)c1nccs1 96415858 LDURJGGYRXYROG-CYBMUJFWSA-N 337.420 4.342 0 40 EIAB Cc1ccccc1Cc1nnc(CSc2ncnc3ccccc23)o1 96471882 IJCIDHNDUXPSFS-UHFFFAOYSA-N 348.431 4.204 0 40 EIAB C/C(=C\c1ccccc1)CN1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1 100148504 LXQHXQXPIOJYKK-KCKWIBFXSA-N 348.490 4.105 0 40 EIAB COc1cc(-c2nc(S)c(-c3ccccc3)[nH]2)cc(OC)c1OC 101415946 FAHSYDKWHMBNPD-UHFFFAOYSA-N 342.420 4.058 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccccc1C(F)(F)F 120652796 ZBHUZELJZDCZNU-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB Cc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1Cl 222622176 UDFMBZOWCVJYFM-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB C[C@H](CNC(=O)CSCc1cccc(Cl)c1)c1ccccc1 223404742 LVIUSYBNNYSETG-CQSZACIVSA-N 333.884 4.493 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1ccccc1 224622444 PFJPHXASNKUIMS-KDOFPFPSSA-N 331.843 4.417 0 40 EIAB COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 224894595 LXFBXOBSGDFJFS-UHFFFAOYSA-N 325.286 4.155 0 40 EIAB CCOc1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1 225636445 CHVZEIITLIYUJQ-OAHLLOKOSA-N 344.480 4.148 0 40 EIAB CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccc(Cl)s1 225709249 PVHGKKKKQDIELT-SNVBAGLBSA-N 346.786 4.189 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1snnc1-c1ccccc1 225759341 KUIHZHUZCQIOSY-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)NCc2ccccc2Cl)cc1 225772973 QIZDVFJHRWOVDL-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@H]4C3)c2c1 253590099 CGLBQXCRGUSAEM-GJYPPUQNSA-N 339.483 4.427 0 40 EIAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccccc1O 408585913 KDCKXWKRKIBAKN-UHFFFAOYSA-N 332.768 4.028 0 40 EIAB Cc1ccc(NC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1776000825 LUKZADCYBJCZAS-QGZVFWFLSA-N 339.439 4.021 0 40 EIAB Cc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(C)c2C)C1=O 121771 KSDPTIFBPFCBEW-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB Fc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 526260 TZKNYNZUQAYZSG-HZPDHXFCSA-N 328.778 4.217 0 40 EIAB CCN(CC)c1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1 3346437 VXGNLDAECPQSFO-UHFFFAOYSA-N 328.441 4.095 0 40 EIAB COc1ccc(F)cc1-c1csc(-n2nccc2C(F)(F)F)n1 3406294 PBKFHYAEZYMNTG-UHFFFAOYSA-N 343.305 4.162 0 40 EIAB Fc1ccc(Oc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 4355249 CVIJSJYMJVCSSQ-UHFFFAOYSA-N 340.745 4.400 0 40 EIAB Cc1cccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)c1 4687913 SYVPVJNOOZTRJN-UHFFFAOYSA-N 349.459 4.394 0 40 EIAB Fc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1 4867426 HHGCKHHCZAOPSU-CTNGQTDRSA-N 345.377 4.463 0 40 EIAB CC[C@@H](C)OC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887751 OJOAUWXWKLPXLM-NSGGIEJNSA-N 336.431 4.485 0 40 EIAB O=C1N[C@H](Nc2ccc(F)cc2)S/C1=C\c1cccc(Cl)c1 5370706 MLQDKRCXKJYZRK-MBSJSRAVSA-N 334.803 4.079 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(C(F)(F)F)cc2)N1C1CC1 7886020 IANSZSOEUKPUQL-MRXNPFEDSA-N 332.325 4.434 0 40 EIAB C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccc(F)cc1 8130118 URTDGGHPYHYPGP-SNVBAGLBSA-N 334.807 4.308 0 40 EIAB Cc1ccc(OCCC(=O)N[C@H]2CCSc3ccccc32)cc1 8192814 ZESGAGNGHNMAMX-KRWDZBQOSA-N 327.449 4.117 0 40 EIAB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)c1 8336171 RNRHSHMFAZRABZ-LENJVWSZSA-N 332.469 4.093 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8497537 URAKWRRKJAPMIE-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(O)c1 8709475 DFIUEXARKGAQKL-UHFFFAOYSA-N 333.391 4.016 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCC2)cc1 10358125 GNNGLRVVJJBNGI-GOSISDBHSA-N 336.479 4.034 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 10404549 ZVIMVNJNLFWHQT-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB Cc1ccnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 10430664 XOGYGLMFHHOBDS-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1cc([C@H]2CCCCCN2Cc2coc3ccccc3c2=O)on1 12120289 SGQROHBOHLSZLL-QGZVFWFLSA-N 338.407 4.207 0 40 EIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2o1 12740522 PHSLTRHKJNNBCO-SECBINFHSA-N 347.777 4.368 0 40 EIAB COc1ccc(C)cc1/C=C/C(=O)N1CC=C(c2ccccc2)CC1 12759386 VUXTTZYQRDRMGF-PKNBQFBNSA-N 333.431 4.333 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1ccccc1 12816541 XVBNREGXVJXHDI-OAHLLOKOSA-N 339.819 4.005 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1OC 12988063 LDSPXKMTUPXWLM-ROJDOSBLSA-N 327.449 4.306 0 40 EIAB O=C(O)c1cccc(-c2ccc(CNCc3ccc(F)cc3)o2)c1 13730379 VWRGFHZBGYJAJY-UHFFFAOYSA-N 325.339 4.074 0 40 EIAB Fc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(F)c1 19346911 NOVHKYBVAYAPJJ-OAHLLOKOSA-N 327.378 4.221 0 40 EIAB c1ccc(Nc2cc(-c3ccsc3)nc([C@@H]3CCCNC3)n2)cc1 19373269 SVQPTOBIESFBRS-CQSZACIVSA-N 336.464 4.416 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 19932111 SSZJFCYXHMQUOE-SJORKVTESA-N 341.451 4.265 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)no1 22119746 AUHFRKXMRIZUIJ-UHFFFAOYSA-N 335.146 4.409 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 22529383 MSTYACZPGFCLQE-GOSISDBHSA-N 349.386 4.365 0 40 EIAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1cccnc1 22927646 YPCRCMFCPBGLGU-UHFFFAOYSA-N 348.471 4.221 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCO2 27133109 RPKGJWUKOXWZSY-UHFFFAOYSA-N 331.799 4.071 0 40 EIAB C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)c(F)c1 29677201 KVCCQCVIVUXGJV-JTQLQIEISA-N 347.390 4.135 0 40 EIAB Cn1cnc2c(sc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O 31820720 KRJDLRUVFKZYGF-UHFFFAOYSA-N 339.464 4.080 0 40 EIAB COc1cccc(Cn2nc(C)c(NC(=O)C3CCCCC3)c2C)c1 32609595 UBQXHIOGLCGJBO-UHFFFAOYSA-N 341.455 4.076 0 40 EIAB C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(F)cc1F 32863070 UQLJFKSVNFSFBU-NXEZZACHSA-N 340.320 4.364 0 40 EIAB CSc1nc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2s1 36391335 JKIMMJVGUWSBGS-UHFFFAOYSA-N 342.445 4.205 0 40 EIAB CC(C)NC(=O)Nc1ccccc1NC(=O)Cc1ccccc1Cl 47375550 NEEGRKONVLHSSI-UHFFFAOYSA-N 345.830 4.051 0 40 EIAB COC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 55515926 FIWMYMOAEFTXLR-UHFFFAOYSA-N 344.436 4.448 0 40 EIAB Cc1csc([C@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n1 65466208 MLXMDPOIIAQVCK-OAHLLOKOSA-N 349.525 4.139 0 40 EIAB CC(C)CC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 72291480 JAQPTUHQXNLESZ-UHFFFAOYSA-N 330.453 4.005 0 40 EIAB CC[C@H](NC(=O)Nc1cccc(OC(F)F)c1C)c1nccs1 72292027 PVFLAAOYTJDTEL-JTQLQIEISA-N 341.383 4.326 0 40 EIAB c1cnc(Nc2cccc([C@@H]3CCCN3CC3CCCCC3)n2)nc1 72375241 WJHBUEGOYRDFBY-SFHVURJKSA-N 337.471 4.332 0 40 EIAB CC(C)CC(=O)Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1 72403427 PYUWWCKRXOXGOS-UHFFFAOYSA-N 339.395 4.393 0 40 EIAB CN(C(=O)c1cccc(COc2cccc(F)c2)c1)c1nccs1 74465357 PLEOKNCNKNCUKQ-UHFFFAOYSA-N 342.395 4.138 0 40 EIAB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 76061504 YJLLTYWMUPJGRW-MRXNPFEDSA-N 349.409 4.229 0 40 EIAB Cc1ccc(C(=O)C2CCN(c3ncnc4c(C)cccc34)CC2)cc1 79112692 TWOICFRRUOXLSN-UHFFFAOYSA-N 345.446 4.346 0 40 EIAB CCc1nc(NC(=O)c2cccn2Cc2ccccc2)sc1C 83820182 JXAGPULKVWRWKG-UHFFFAOYSA-N 325.437 4.116 0 40 EIAB COc1ccncc1NC(=O)c1ccccc1N(C)c1ccccc1 83869649 FFGXGXVHJTXVFG-UHFFFAOYSA-N 333.391 4.110 0 40 EIAB Cc1csc(CNc2cccc(COC[C@H]3CCCCO3)c2)n1 95428558 LWZROLLGCVMLBC-QGZVFWFLSA-N 332.469 4.149 0 40 EIAB Cc1ccc(CN2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)o1 96051557 IZFCZFJGNBCXDC-LJQANCHMSA-N 328.456 4.058 0 40 EIAB CC/C=C(\C)C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 96295339 UEOHWJKDTCTGCD-LNKIKWGQSA-N 341.480 4.267 0 40 EIAB Cc1cc(C)n(-c2ccc(C[S@@](=O)Cc3ccc(F)cc3)cc2)n1 96448057 IXWFUFIHTKBNGV-XMMPIXPASA-N 342.439 4.077 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 113959482 LLRZRHQPFPFRBQ-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Cc3ccc(C)cc3C)s2)cc1 222724405 WBYLIUVHYPFRJW-UHFFFAOYSA-N 337.448 4.312 0 40 EIAB Cc1cccc(CSCC(=O)NCc2ccc(OC(C)C)cc2)c1 222743273 GOLRMLSZXYYRRQ-UHFFFAOYSA-N 343.492 4.332 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Cl)cc1 224282775 BDTXRXPLHQFSSW-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224616568 ZXNKIVJTIXXBPW-OAHLLOKOSA-N 339.435 4.370 0 40 EIAB CCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OCC 224692505 XHSGZOJIVAATPL-UHFFFAOYSA-N 331.456 4.242 0 40 EIAB CCC1(NC(=S)Nc2cc(C(=O)OC)ccc2Cl)CCCC1 225861966 JRCBRIVYXHJJPD-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 257318250 VNCGCWHQHLKOHZ-JOCQHMNTSA-N 347.484 4.234 0 40 EIAB Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cs1 409022545 ARSXRMYDQHBVGX-UHFFFAOYSA-N 337.400 4.158 0 40 EIAB Cc1cc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc2n[nH]cc12 501743178 FRXAMHULSSEWNT-UHFFFAOYSA-N 334.354 4.258 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 575618684 AXTHIEGIXVERBB-LBPRGKRZSA-N 348.855 4.180 0 40 EIAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148046 MWXGBDJHJGLFEB-PMACEKPBSA-N 349.430 4.290 0 40 EIAB CCOC(=O)c1[nH]c(C)c(-c2csc(Nc3ccccn3)n2)c1C 591657424 ATSROTWSWDBZDR-UHFFFAOYSA-N 342.424 4.070 0 40 EIAB CC[C@H](Cc1ccc(F)cc1)NC(=O)c1cnc2c(F)cccc2c1 1531783856 ZTEPNPZJTRPJJV-QGZVFWFLSA-N 340.373 4.264 0 40 EIAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H]5N=NC=C5C[C@]4(C)[C@@H]3CC[C@@]21C 1570001134 WHTKQORXELDYSO-JELWBRQBSA-N 344.499 4.079 0 40 EIAB CCC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267982 NHMCUUWCWNYGQI-BEFAXECRSA-N 337.419 4.428 0 40 EIAB O=C1N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1(F)F 350841 YJYHIJKBJJDRHD-ZDUSSCGKSA-N 338.151 4.172 0 40 EIAB CCc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 486848 MXXHBSYBIDXPIE-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB O=C1c2ccccc2C(=O)N1CC[C@@H](Cc1ccccc1)c1ccco1 489418 WCPYZSCQVJNBCM-KRWDZBQOSA-N 345.398 4.292 0 40 EIAB CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1cccs1 858470 YEFFUVPELSJYOW-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB CCOc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3)n2)cc1 1275821 XSKJMUNOTVCONF-UHFFFAOYSA-N 327.767 4.421 0 40 EIAB Cc1nc2sc(C(=O)N3CCC(C)CC3)c(N)c2c(C)c1Cl 1430834 MUNDPJGBRAEPEA-UHFFFAOYSA-N 337.876 4.021 0 40 EIAB O=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1Cl 3275137 ZJPYBPFHGPLRAC-UHFFFAOYSA-N 342.247 4.334 0 40 EIAB Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)C(=O)[C@H]2C)cc1 3344487 PZJYRTKQLVGCTA-GFCCVEGCSA-N 346.789 4.145 0 40 EIAB O=C1Nc2ccccc2/C1=C\NCC(c1ccccc1)c1ccccc1 3877198 PRHZAVSESKVCCV-LTGZKZEYSA-N 340.426 4.401 0 40 EIAB COc1ccc(/C=C/c2ccc3cccc(O)c3n2)c(OC)c1OC 4140896 VBCORLLIMLGHGR-DHZHZOJOSA-N 337.375 4.137 0 40 EIAB Cc1ccc(-c2csc(SCC(=O)Nc3ccccn3)n2)cc1 4712013 VFKXQCXORLLMBU-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB Fc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 4786707 FQDMQROCIGYKRK-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB O=C(NCC(F)(F)F)c1oc2ccccc2c1COc1ccccc1 5419239 ONPYIXUXKKEHCN-UHFFFAOYSA-N 349.308 4.304 0 40 EIAB O=C(NCC(F)(F)F)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 6969054 HMAVPTYQORUOMP-MWABVPJASA-N 337.385 4.203 0 40 EIAB O=C(CCCc1nc2ccccc2s1)NCCc1ccccc1F 7988228 HWCHMVVUENRQNQ-UHFFFAOYSA-N 342.439 4.117 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1C 8040575 JGUOWUJZZINWHX-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB C[C@@H](CNC(=O)Nc1ccccc1)c1nc2ccccc2n1C(F)F 8778874 CIVBMHLLFIXDPA-LBPRGKRZSA-N 344.365 4.357 0 40 EIAB COc1ccc(SCCC(=O)Nc2nc3ccccc3s2)cc1 10219545 PCAODZPEXLWQBS-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503779 ACKRLWJRMREWKX-CQSZACIVSA-N 339.826 4.236 0 40 EIAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)C12CC3CC(CC(C3)C1)C2 10806505 YVXSABBNTDVTDY-NZWMYCLXSA-N 347.842 4.066 0 40 EIAB CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCC1 12522553 PTFXINTUZNMTTN-UHFFFAOYSA-N 333.819 4.051 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1ccccc1N1CCCCC1 12523496 DEYSRTKGOMNOET-UHFFFAOYSA-N 344.842 4.348 0 40 EIAB Cc1cc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2ccccc12 12542032 JDSBVMJNOQQRCC-ZIAGYGMSSA-N 328.481 4.140 0 40 EIAB Cc1sc2nc(SCc3ccccn3)n(C(C)C)c(=O)c2c1C 12543039 SZSZGDKSBSMDED-UHFFFAOYSA-N 345.493 4.343 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1C 12756208 GPKDYWJVQIPDGQ-CVEARBPZSA-N 342.508 4.161 0 40 EIAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)n1 13208215 HTEHNOQNZGOVSS-UHFFFAOYSA-N 347.378 4.370 0 40 EIAB CCc1cccc(C)c1NC(=S)NC(=O)Cc1ccc(Cl)cc1 14002118 CXQMYBWSNMGXFW-UHFFFAOYSA-N 346.883 4.267 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3)c12 14179873 MXVSBAGWDZYJQU-UHFFFAOYSA-N 327.771 4.314 0 40 EIAB O=C1CCc2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc2N1 14255258 VJJLMFCJIIUUAA-UHFFFAOYSA-N 342.704 4.431 0 40 EIAB CC1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1 14559467 WTNXJYOYGPGIJK-UHFFFAOYSA-N 336.343 4.055 0 40 EIAB biogenic,in-vitro Cc1cc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c(C)o1 15823514 WSDGCYUCJLZCRL-UHFFFAOYSA-N 348.446 4.008 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1F 16053474 MBERTQHVKQESIZ-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(Cl)c1 17371248 GEUMSDBGSGUVAT-UHFFFAOYSA-N 339.826 4.073 0 40 EIAB c1ccc([C@@H]2C[C@@H](N3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 20719692 RQQFFNMHVWUEHQ-KKSFZXQISA-N 337.419 4.142 0 40 EIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc2ccccc2n1 23175336 HUKYAHKUBJIQDA-FQEVSTJZSA-N 333.435 4.331 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccccc1NC(=O)c1ccccc1 25879584 ZMAYWUIBMVIDII-OUKQBFOZSA-N 332.359 4.184 0 40 EIAB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 28267257 GRPRDFCVXKQCQI-RIYZIHGNSA-N 326.783 4.203 0 40 EIAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 30008075 ULIIHABOIJWKSO-GOSISDBHSA-N 335.444 4.033 0 40 EIAB O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCOCC1 30061130 PYLYFKNJEPJFTD-UHFFFAOYSA-N 331.799 4.497 0 40 EIAB O=S(=O)(NCc1cccc2ccccc12)c1ccc(Cl)s1 33859595 QPFIWNKSFOOKRJ-UHFFFAOYSA-N 337.853 4.033 0 40 EIAB CCn1cc(-c2nnc(SCc3ccccc3Cl)n2CC)cn1 36631410 QJVAPBZEHMXUMQ-UHFFFAOYSA-N 347.875 4.127 0 40 EIAB Cc1nn(C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)SCC(O)=N2 49550425 RVLVVDANRRGFKD-ZDUSSCGKSA-N 341.358 4.172 0 40 EIAB Cc1cccc(CNC(=O)c2cc(-c3ccc(C(C)C)cc3)[nH]n2)c1 57413665 AGKBQZBQURUGBH-UHFFFAOYSA-N 333.435 4.439 0 40 EIAB CCc1nc(CN(C)C(=O)Nc2ccccc2C(F)(F)F)cs1 58201892 KUMFLTWPZVVLSX-UHFFFAOYSA-N 343.374 4.388 0 40 EIAB O=C(c1cnn(-c2ccccc2)c1)N1CCCSc2ccccc21 68259430 PJGYBWCHSCNFOS-UHFFFAOYSA-N 335.432 4.015 0 40 EIAB COc1cccc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)c1 69741420 PNUXBXRUGZZWAS-PKOBYXMFSA-N 339.460 4.076 0 40 EIAB CC(C)n1c([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2ccccc21 69846350 QYHIRISBHJTJQF-MRXNPFEDSA-N 348.450 4.032 0 40 EIAB COc1c(Cl)cc(NC(=O)[C@@H](C)OC2CCCC2)cc1Cl 70815882 YTJMRAQOHXCTKM-SECBINFHSA-N 332.227 4.288 0 40 EIAB Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)s1 71799234 YCSFBIWRXQKROR-SFHVURJKSA-N 337.448 4.040 0 40 EIAB COc1ccccc1C[C@H](C)CC(=O)Nc1c(C)nn(C(C)C)c1C 71884574 PUXRWHMMERXRPB-AWEZNQCLSA-N 343.471 4.297 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F 72380334 DODHSVYMTOABFE-GOSISDBHSA-N 341.430 4.460 0 40 EIAB CC(C)n1ncc2c(-c3nc(-c4ccccn4)no3)cc(C3CC3)nc21 74120937 WJAJUUZUQGVZIZ-UHFFFAOYSA-N 346.394 4.002 0 40 EIAB CS[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 76069473 ISULTEVNCFGRGX-GJZGRUSLSA-N 331.441 4.056 0 40 EIAB CC(C)[C@H](c1cccnc1)N(C)Cc1nc(-c2ccc(F)cc2)no1 89801846 NVAGDOCLZVOJBK-GOSISDBHSA-N 340.402 4.100 0 40 EIAB O=C(NC1CCCCCCC1)c1cnn2c(-c3ccccc3)ccnc12 89851225 KYEKXNQMMQMVIK-UHFFFAOYSA-N 348.450 4.239 0 40 EIAB C[C@@H](Oc1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1)C(=O)O 91695613 YFPQWXOCSBAHLC-MRVPVSSYSA-N 345.704 4.273 0 40 EIAB Cc1cnc(CN(Cc2ccccc2Br)C(C)(C)C)cn1 95966511 XBUXQLYFIQWFGT-UHFFFAOYSA-N 348.288 4.348 0 40 EIAB CC[C@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)c2cccc(Cl)c2O1 96010807 LHKZKZHJRGROBG-NSHDSACASA-N 333.819 4.004 0 40 EIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3)cc1 96047255 AVGBSWRZSVQKEM-UHFFFAOYSA-N 338.495 4.466 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OC)c(C)c1 96417992 CHRUXVYPTWJIAP-KRWDZBQOSA-N 327.428 4.404 0 40 EIAB CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 96472865 IAIVIHICENFDMW-QZTJIDSGSA-N 347.393 4.049 0 40 EIAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101706826 LKWMEDLWCIVBFH-PRULPYPASA-N 348.295 4.096 0 40 EIAB Cc1ccc(C(=O)N2C(=O)/C(=C3\CCCCCN3)c3ccccc32)cc1 104740887 NJJXXXVAUYAUMA-CZIZESTLSA-N 346.430 4.057 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 113956340 ZFHOUMVFYSEWOR-QGZVFWFLSA-N 347.842 4.213 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223494540 CDEXXVILFVRUDS-KRWDZBQOSA-N 331.481 4.268 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)Cc1ccccc1Cl 223740251 OJYVGUJPUNNLDZ-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB Cc1ccc(OCCNC(=O)CCSCc2ccccc2)cc1C 224278625 HJFYGCSVHNSAPL-UHFFFAOYSA-N 343.492 4.122 0 40 EIAB CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCC(C)CC1 226277528 OCXZTVQCMQXNHY-UHFFFAOYSA-N 326.440 4.280 0 40 EIAB COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409118907 OXXLPMMOHOOWRW-BOPFTXTBSA-N 337.419 4.247 0 40 EIAB CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3cccc(Cl)c3)CC[C@H]2C1 409412842 REVIUPJJWOONRD-MAZHCROVSA-N 336.863 4.397 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@H]1CCC[C@H]1c1ccccc1 565873769 ZXGFGKFVJPDTOP-OALUTQOASA-N 345.446 4.277 0 40 EIAB Clc1ccc(-c2cnc(CN3CCO[C@H]4CCCC[C@H]43)o2)cc1 613450575 FYBQSDNNYKDTNR-CVEARBPZSA-N 332.831 4.138 0 40 EIAB c1ccc2oc([C@@H]3CCCN(c4cc(C5CCC5)ncn4)C3)nc2c1 1888910372 SBIDBRBYEQJEPH-OAHLLOKOSA-N 334.423 4.269 0 40 EIAB Cc1cccc(-c2nc(N(C)C3CCN(C)CC3)c3ccccc3n2)c1 144309 FWGGYKDHPHFMBL-UHFFFAOYSA-N 346.478 4.136 0 40 EIAB O=C(/C=C/c1ccccc1)O/N=C(\c1ccc(F)cc1)c1cccnc1 189962 CTFSNOZHGHNSDR-YNSZSZTOSA-N 346.361 4.230 0 40 EIAB CCCCN(CCCC)C[C@H](O)c1cccc(Br)c1 1718266 KANSWLPZEXXYHE-INIZCTEOSA-N 328.294 4.385 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)c(C)c1 2713243 PLJUZJBTSUSIGX-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB Cc1cccnc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2746038 AFXMJNAWLGALTL-UHFFFAOYSA-N 339.222 4.495 0 40 EIAB CCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C 3354266 HHZTWPZPZLDNAK-UHFFFAOYSA-N 347.459 4.062 0 40 EIAB O=C(CCc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1 4330471 MGIROMZIYZGSEW-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB C[C@H]1C[C@H](C)CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 6008111 YYTKDJBCMXAENE-STQMWFEESA-N 330.453 4.017 0 40 EIAB COc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c(OC)c1 6084114 VIGYNOHYAADXQO-VQHVLOKHSA-N 335.359 4.121 0 40 EIAB Cc1cccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 6087295 YUSXPODLBDGUJJ-UHFFFAOYSA-N 349.217 4.091 0 40 EIAB O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1C1CCCC1 6531224 LIUMBRLXEFDVKR-HNNXBMFYSA-N 344.480 4.173 0 40 EIAB Brc1cccc(CSc2nnc(-c3ccncc3)o2)c1 6859596 KXZXXFICZUIBPN-UHFFFAOYSA-N 348.225 4.186 0 40 EIAB COc1ccc(OC)c(NC(=O)CCCSc2ccccc2)c1 6946365 NBHYYZXNXVOBDA-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB O=S(=O)(Nc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 7052480 BWEOSYGGMNVTEK-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1O 7141289 CXWBMISPJUYARI-JLHYYAGUSA-N 347.370 4.134 0 40 EIAB CC[C@H](C)c1ccc(N[C@H](C)C(=O)NCc2ccc(OC)cc2)cc1 7241173 OOVWRPYRUDHUNE-JKSUJKDBSA-N 340.467 4.326 0 40 EIAB Cc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1 8105166 YJJDBHYEKSIFGC-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c2ccccc12 8132574 FBJIVUHGOGDFNZ-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Cc1occc1-c1nnc(SCc2ccc(-n3cccn3)cc2)o1 8157091 ZJWKPUWSACQROK-UHFFFAOYSA-N 338.392 4.116 0 40 EIAB CC[C@H]1CCCCN1Cc1c(C)nc2c(OC)ccc(OC)c2c1O 8717352 SQRGGYCQLWZVPR-AWEZNQCLSA-N 344.455 4.031 0 40 EIAB CCCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 9141289 DFAFRANIKMIJND-UHFFFAOYSA-N 334.441 4.346 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1 9483468 MHZYZWDNQXPCRN-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)NCCOc3ccccc3)sc2n1 10087934 XFMXZNFHSVNZBK-UHFFFAOYSA-N 340.448 4.030 0 40 EIAB Cc1cc(CNC(=O)Cc2csc(-c3ccsc3)n2)ccc1F 10552313 AVVZXJNHYPFLQZ-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB CCOc1ccc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 10963709 QIJVSBNEEZMEQV-QGZVFWFLSA-N 345.439 4.120 0 40 EIAB Cc1csc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n1 11374368 YUVARZUFPLHYEY-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB Cc1ccc(CCC2CCN(C(=O)c3cccnc3S)CC2)cc1 11968592 HLTYFUZWOVOPJI-UHFFFAOYSA-N 340.492 4.164 0 40 EIAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccccc3F)n2)C1 12791859 FVWQKFXLNFINTP-BETUJISGSA-N 347.459 4.012 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)c3csc4c3CCCC4)ccc12 12985945 UCDQPBWSARTFEL-UHFFFAOYSA-N 339.416 4.294 0 40 EIAB CCOc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 12995578 NIKQPNZSLGGEDC-UHFFFAOYSA-N 338.407 4.397 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13689101 JXTREMOHOLORCN-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSC2CCCCC2)c1 13710540 KOUOWGXINMHXDE-MRXNPFEDSA-N 335.513 4.253 0 40 EIAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1 14001435 JJSKFSIGVUQERA-UHFFFAOYSA-N 332.856 4.338 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)c3ccccc23)C1 15978910 PIUGNCLPOQUACE-OKILXGFUSA-N 331.843 4.377 0 40 EIAB Cc1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)c(C)c1 17071435 GCXBCKLVQSVUEQ-UHFFFAOYSA-N 341.455 4.453 0 40 EIAB O=C(NC1CC1)c1ccc(CSc2nc3ccccc3s2)cc1 17120917 VAULJKOAFZEJBW-UHFFFAOYSA-N 340.473 4.481 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20036357 WXXZMUHFPLRUSX-CQSZACIVSA-N 340.423 4.174 0 40 EIAB O=C(CSc1ncnc2ccsc12)N(C1=CCCCC1)C1CC1 26961104 XQCUUJPCPKYBJS-UHFFFAOYSA-N 345.493 4.232 0 40 EIAB O=C(c1cc2c(F)cccc2s1)N1CCO[C@H](c2ccccc2)C1 27909130 RWMCDWSWBKKUMS-INIZCTEOSA-N 341.407 4.254 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 28219720 HNARVZOZDBBQQO-UHFFFAOYSA-N 326.787 4.478 0 40 EIAB Cc1[nH]c2ccccc2c1/C=C1/N=C(S)N(c2ccccc2)C1=O 34927084 VUAXVZSTLQMWHH-GZTJUZNOSA-N 333.416 4.150 0 40 EIAB CCn1cc(C(=O)N[C@@H](C)c2sc(C)nc2C)c2ccccc21 40157757 RFTWPBLSWYGCNC-LBPRGKRZSA-N 327.453 4.226 0 40 EIAB Fc1c(F)c(F)c(CSc2nc(Cl)ns2)c(F)c1F 48056668 BJXVHQQJKLIQAS-UHFFFAOYSA-N 332.706 4.179 0 40 EIAB CSc1nn(CN2CCCc3cc(C)cc(F)c32)c(=S)s1 48340469 DQIKABZVFAKELH-UHFFFAOYSA-N 341.502 4.254 0 40 EIAB Cc1cccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)c1 49006270 LFNBXQKHZPNSOY-UHFFFAOYSA-N 339.464 4.296 0 40 EIAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1 57508784 QFOSPGQRYDHJKR-HNAYVOBHSA-N 336.460 4.454 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2onc(Cc3ccccc3)c12 62710674 JYFFSPVWACXXRG-UHFFFAOYSA-N 330.343 4.179 0 40 EIAB Cc1cc(C(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)n(C)n1 65889653 FDYVRJYOHPPATH-HNNXBMFYSA-N 333.435 4.248 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)N1CCC(Nc2cccnc2)CC1 69980411 BNIKYNXLQJXLNJ-UHFFFAOYSA-N 344.846 4.152 0 40 EIAB Cc1csc([C@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)n1 74669514 LRWBISHARUHIIO-OAHLLOKOSA-N 345.443 4.030 0 40 EIAB Cc1ccc(C(=O)N(CCC(C)C)[C@@H](C)CCCC(C)C)c(=O)[nH]1 76066822 CDTFGARAAZTPRQ-KRWDZBQOSA-N 334.504 4.386 0 40 EIAB O=C(CCCn1c(=O)oc2ccccc21)OC1CCCCCCC1 84600155 REUBXSKORWOAEG-UHFFFAOYSA-N 331.412 4.031 0 40 EIAB CCc1nc(C)c([C@@H](C)NCc2cccc3c2OCCCO3)s1 90546564 BQTFBMPLCALCDH-GFCCVEGCSA-N 332.469 4.026 0 40 EIAB c1ccc2[nH]c(C3CCC(CNc4nnc(C5CC5)o4)CC3)nc2c1 95357767 YXGXJTFEWAZUPH-UHFFFAOYSA-N 337.427 4.209 0 40 EIAB Cc1ccc(-c2nc(C(=O)NCc3ccc(C(C)C)cc3)no2)cc1 96105459 OFSNDQCHGSVXTC-UHFFFAOYSA-N 335.407 4.098 0 40 EIAB O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1cccc(Cl)c1 100548598 KFWBPLWYFUKRBD-MHORFTMASA-N 341.838 4.356 0 40 EIAB Cc1csc(C2(NC(=O)c3coc4ccccc34)CCCC2)n1 113056247 WUHSCUAOMAFGNU-UHFFFAOYSA-N 326.421 4.397 0 40 EIAB O=C(Nc1c(F)cccc1F)c1cnn(-c2ccc(Cl)cc2)c1 128366445 OYXMPGLLEKLCQR-UHFFFAOYSA-N 333.725 4.056 0 40 EIAB CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 216891145 HDUWSKLEBMMYRY-ZRDIBKRKSA-N 326.392 4.159 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222935471 UZFJACGXPBXJFJ-ZDUSSCGKSA-N 349.883 4.258 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 223360463 UHKYEKORCDORSP-GOSISDBHSA-N 341.451 4.131 0 40 EIAB O=C(CSc1ccc(Cl)cc1)NCCSC1CCCC1 224509773 IORLUORUUYWCSP-UHFFFAOYSA-N 329.918 4.224 0 40 EIAB CCc1ccc(NC(=S)NCCCSCc2ccco2)cc1 225593314 JCUUAWGZPHPZQP-UHFFFAOYSA-N 334.510 4.452 0 40 EIAB Fc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1F 225860690 VPGGTLRYFZIJKX-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB CCc1ccc2oc(-c3cc(Br)c[n+](CC)c3)nc2c1 226774801 PWMDZWCUUNHQFS-UHFFFAOYSA-N 332.221 4.127 0 40 EIAB O=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)NC1CCCC1 227154404 GIQQIDZSVHQORH-UHFFFAOYSA-N 331.847 4.043 0 40 EIAB CCc1cc(-c2nc(C3(c4ccccc4F)CCCC3)no2)n[nH]1 559990206 STSLILAMHNRROG-UHFFFAOYSA-N 326.375 4.021 0 40 EIAB COc1cc(F)c(C(=O)Nc2cc(C)n(C3CCCCC3)n2)c(F)c1 1518217059 JAPPCCYAUPAWPQ-UHFFFAOYSA-N 349.381 4.236 0 40 EIAB Nc1nc(Cl)cc(N2c3ccccc3C[C@H]2Cc2ccccc2)n1 1643040133 IVAIASDVAMBZCO-OAHLLOKOSA-N 336.826 4.018 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 42800 LDXWVWBTIBPGSJ-TZMCWYRMSA-N 341.238 4.175 0 40 EIAB Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c(C)c1 494641 WIRJNNURCZBGRV-OAHLLOKOSA-N 327.811 4.079 0 40 EIAB COc1cc2sc(NC(=O)/C=C/c3ccco3)nc2cc1Cl 557589 CBGGKDQGMWFQCY-SNAWJCMRSA-N 334.784 4.203 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(Cl)cc1 573518 IHBMLXLAJRDJIG-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB COc1ccc([C@H](O)P(=O)(OCC(C)C)OCC(C)C)cc1 2281289 NOSBGNNBXLHPNW-MRXNPFEDSA-N 330.361 4.224 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1nc2ccc(F)cc2s1 2627340 CMLAQZUWDWRJFB-UHFFFAOYSA-N 338.766 4.409 0 40 EIAB Cc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nnnc3N2)cc1C 2919593 GWQMUBOAGAWECO-IRXDYDNUSA-N 339.830 4.090 0 40 EIAB COc1cccc(NC(=O)[C@H](NCCC(C)C)c2ccccc2)c1 3375248 TUGIETVITRMFQM-LJQANCHMSA-N 326.440 4.011 0 40 EIAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1F 4223979 BZXIULJDEBIFQD-UHFFFAOYSA-N 326.352 4.094 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccccc2)c1 4696248 XBGXKUBZOKRSDB-UHFFFAOYSA-N 344.414 4.211 0 40 EIAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 4911340 GJAKVVOHEFMXDM-INIZCTEOSA-N 339.435 4.365 0 40 EIAB CCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c2ccccc21 5266179 VPNVLLJJSUEGDW-UHFFFAOYSA-N 339.395 4.322 0 40 EIAB CCOc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 5465693 TYACATYHBWFEFQ-UHFFFAOYSA-N 327.424 4.400 0 40 EIAB CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2C=O)cc1 5867554 MZFHMNJZBKVYRC-UHFFFAOYSA-N 331.799 4.293 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(F)cc1Cl 5897984 SSXGCCGDBZMCJE-UHFFFAOYSA-N 349.789 4.398 0 40 EIAB Cc1ccc(C(=O)/C=C/c2ccccc2I)cc1 6840547 ZBRLTOQPZUHHQQ-ZHACJKMWSA-N 348.183 4.496 0 40 EIAB COc1cc(NC(=O)Cc2ccc(C)c(C)c2)c(OC)cc1Cl 7406035 KFQPGBIWESQDNK-UHFFFAOYSA-N 333.815 4.155 0 40 EIAB C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 8104016 LSMMMBSAGFGWGS-LLVKDONJSA-N 335.270 4.497 0 40 EIAB Cc1c(C(=O)N(C)CCOc2ccc(F)cc2)oc2ccccc12 8117252 XSONLDUGURKASP-UHFFFAOYSA-N 327.355 4.031 0 40 EIAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccno1 10253845 WCJBZDWEKPWQJU-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB C[C@H]1C[C@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10971714 PRGQCCATJHUWTI-TVQRCGJNSA-N 340.370 4.347 0 40 EIAB COc1ccc(Oc2cc(NC(=O)C3CCC3)ccc2OC)cc1 11292370 JOAUZMMTVZRWTN-UHFFFAOYSA-N 327.380 4.235 0 40 EIAB CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(C)cc1 12772464 ILKWWMVXFXUIQH-OAHLLOKOSA-N 342.464 4.286 0 40 EIAB Fc1ccc(Nc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 13628622 FBNRJYZPUAEQGX-UHFFFAOYSA-N 339.761 4.327 0 40 EIAB CCOc1ccc2oc(C(=O)NCCc3cccs3)c(C)c2c1 14226761 BPDYQBGJKUOHTB-UHFFFAOYSA-N 329.421 4.174 0 40 EIAB CCCCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 14660579 QBYNMPDMCIDLRV-UHFFFAOYSA-N 342.424 4.096 0 40 EIAB Cc1cccc(/C=C2/NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1 15257246 ZFXOAXDDTZBOAM-LDADJPATSA-N 336.460 4.381 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1OCC 15966492 VQEIFKPHLVQVDG-CQSZACIVSA-N 345.414 4.043 0 40 EIAB COc1ccc(C(=O)NCCCN(C)c2ccccc2)c2ccccc12 17827002 XCFSOEMNBCRHBW-UHFFFAOYSA-N 348.446 4.105 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)n1 18254045 XCAYNZKWCDXGJJ-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1nccs1 19927194 KTHGHDWBHVEAQD-NSHDSACASA-N 331.249 4.229 0 40 EIAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(C)cc4)c3C2)cc1 20632986 OHARBFMIYNXOOU-KRWDZBQOSA-N 346.430 4.410 0 40 EIAB C[C@@H](OC(=O)c1ccc(F)c(F)c1)C(=O)C12CC3CC(CC(C3)C1)C2 22431584 LVEBLYMKBNIXMZ-JIEKGTPASA-N 348.389 4.296 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C(C)C)cc2)cc1 25426445 OAGAQNLWBQPAJO-OAHLLOKOSA-N 339.439 4.029 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26295720 WQTKINSRLOIMFR-BFHYXJOUSA-N 328.378 4.476 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)CSc3ccccc3)c2)n1 32025844 JNSVHORFAACOPK-UHFFFAOYSA-N 335.432 4.183 0 40 EIAB O=C(c1ccccc1)N(Cc1cccc(Br)c1)C1CC1 36393474 LPSDURCJAQDWSB-UHFFFAOYSA-N 330.225 4.254 0 40 EIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 43010376 UTLWUPOTNWXFBJ-VDGAXYAQSA-N 343.467 4.039 0 40 EIAB CCN(C(=O)Nc1cccc(NC(C)=O)c1)[C@H](C)c1ccc(F)cc1 47388893 SFLLQVMZEZHVIX-CYBMUJFWSA-N 343.402 4.399 0 40 EIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(C)cc1)C3 55396222 ICNCURZWHGOGTE-UHFFFAOYSA-N 349.430 4.406 0 40 EIAB biogenic CCOc1ccccc1-c1nnc(SCc2ccnc(Cl)c2)o1 58008427 SKJFGJZMVFNZRR-UHFFFAOYSA-N 347.827 4.476 0 40 EIAB COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4nnco4)cc3)c2c1 58265379 WUVWQEHZIOCWBS-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C/C=C/Cl)CC2 58470013 WQYVZGUFTQCEPQ-WEBJUUICSA-N 349.883 4.465 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccccc1C(F)(F)F)CC(O)=N2 61719524 MOFGPAWNMRTHSK-MRVPVSSYSA-N 327.331 4.327 0 40 EIAB COC(=O)c1cccc(Nc2ccnc3c(OC)ccc(Cl)c23)c1 64874718 MGIRHAINZMJEJQ-UHFFFAOYSA-N 342.782 4.427 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@H](CC)OC)n2)c1C 65716401 NBJBBVUAJMEWRW-HNNXBMFYSA-N 335.473 4.002 0 40 EIAB C[C@@H](N[C@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 69416037 ZRGIKZAPHZJEGZ-DYVFJYSZSA-N 326.444 4.314 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(-c3ccsc3)s2)C1(C)C 71819370 POMGHBJNEGKGJF-NEPJUHHUSA-N 333.482 4.444 0 40 EIAB CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214910 HYMMMBSFKDMJPS-INIZCTEOSA-N 333.476 4.388 0 40 EIAB Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 78462731 OSRKCWCRCVRKDG-HXUWFJFHSA-N 347.462 4.394 0 40 EIAB CCc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1 95097102 SYOIUVZFVMSJGO-UHFFFAOYSA-N 344.480 4.380 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)cc1C 95939644 ACNFNJIGRVGVPF-UHFFFAOYSA-N 342.420 4.068 0 40 EIAB CC[C@@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F 96415080 QTGBMCXMJQYULT-BDJLRTHQSA-N 346.377 4.098 0 40 EIAB CCc1noc(C)c1NC(=O)Nc1cccc(Oc2ccncc2)c1 97099634 MGPQRRKDYNAJMI-UHFFFAOYSA-N 338.367 4.377 0 40 EIAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 101277095 SCOHSEQRJCZVAG-CQSZACIVSA-N 349.217 4.046 0 40 EIAB CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 105364650 RNKRHMVSDHMQGT-VWXURSGXSA-N 326.436 4.346 0 40 EIAB biogenic Cc1ccc(CNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)s1 155848489 SSZKMQIKFQWVLX-HNNXBMFYSA-N 330.453 4.158 0 40 EIAB O=C(c1c(F)cccc1Cl)N1CCS[C@H](c2ccco2)CC1 207006890 FZGNOXUYOMGJFZ-AWEZNQCLSA-N 339.819 4.393 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 219603896 VXBPIZXGSWWCRV-GOSISDBHSA-N 349.833 4.386 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc2ccccc2c1 222801499 MVUBWYHNBBBIEU-IBGZPJMESA-N 349.430 4.322 0 40 EIAB Cc1ccc(CC(=O)NCCSCc2ccccc2F)c(C)c1 222891385 SSNSHIBNMRIHDX-UHFFFAOYSA-N 331.456 4.035 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCOc1ccccc1C(C)C 223797869 YGNOXYSURVBCKI-UHFFFAOYSA-N 341.451 4.406 0 40 EIAB Cc1ccc(Cl)cc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225076825 HUJIHLKEYMNZOO-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1ccc(C(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c(C)c1 238837851 HDKAPYJVDBZHAG-SFHVURJKSA-N 346.430 4.145 0 40 EIAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN[C@H](C)c1ccccc1 245318990 YSBWPYOHMLOJIM-SCTDSRPQSA-N 327.468 4.291 0 40 EIAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCCN2C(C)C)n1 257223409 DXGFNLCHRNQLOZ-GOSISDBHSA-N 327.476 4.165 0 40 EIAB c1ccc2c(c1)OC1(CCN(CC3CC3)CC1)c1c-2ncn1CC1CC1 306129507 IFNRYXCAKQISFM-UHFFFAOYSA-N 349.478 4.054 0 40 EIAB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 408527339 MOBVBVMAMMKNQZ-KTKRTIGZSA-N 347.754 4.205 0 40 EIAB CC(C)(C)c1nc2cc(N[C@H]3CCN(c4ccccc4)C3=O)ccc2o1 517601504 JOPIFPLETPUNGI-INIZCTEOSA-N 349.434 4.343 0 40 EIAB C=CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1120553472 APQFRZBBCJJXNW-UHFFFAOYSA-N 326.827 4.417 0 40 EIAB CC[C@@H]1CCC[C@@H]1NC(=O)c1c(C)nc(C(C)(C)C)nc1SC 1525915613 HDELRURETJSJHH-OLZOCXBDSA-N 335.517 4.113 0 40 EIAB CC(C)(CNC(=O)c1cccc(Br)c1)c1ccsc1 1565519514 VPVBBPUJEXDHIO-UHFFFAOYSA-N 338.270 4.218 0 40 EIAB COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12 7607 UBYNBZKQYLBKFN-UHFFFAOYSA-N 348.189 4.198 0 40 EIAB CC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 189391 CZBBMRXKEXVSMA-UHFFFAOYSA-N 335.860 4.257 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)c(C)c1 364930 VVRHMDZTKMZJOE-ZDUSSCGKSA-N 326.421 4.319 0 40 EIAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 1336298 OSTAMRYLVYUNHF-UHFFFAOYSA-N 327.811 4.075 0 40 EIAB S=C(Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 1592266 COXARQAHYSNJGV-UHFFFAOYSA-N 330.884 4.032 0 40 EIAB Cn1cc(C(C)(C(=O)O)c2cn(C)c3ccccc23)c2ccccc21 1691952 PDBZSNKAGBPGFF-UHFFFAOYSA-N 332.403 4.061 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1Cl 1993494 HCMBOEMGXKACDY-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCCCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 2147200 HRWMEICYTAXKJG-UHFFFAOYSA-N 341.407 4.005 0 40 EIAB biogenic CCn1c(NC(=O)C(C)C)c(-c2ccccc2)c(=O)c2ccccc21 2237978 WXKMKAHQDGNIIE-UHFFFAOYSA-N 334.419 4.283 0 40 EIAB Cc1cc(-c2ccccc2)nc(SCc2cccc(C(=O)O)c2)n1 2887435 YSDVVDJXLJYUAW-UHFFFAOYSA-N 336.416 4.443 0 40 EIAB O=C(CC1CCCCC1)Nc1cccc(-c2cn3cccnc3n2)c1 4033000 JQYYVZZZBIKEGD-UHFFFAOYSA-N 334.423 4.305 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N 4195283 INRPBWOOOGNJSE-COXXTLHVSA-N 327.468 4.163 0 40 EIAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccc(F)cc1Cl 4676117 BWEVNUVNJMOHTE-VGOFMYFVSA-N 348.786 4.111 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1)c1ccccc1F 4887786 CVQZLJDIYUFKRF-ZNXRZULTSA-N 344.474 4.274 0 40 EIAB OC1(c2ccccc2)CCN(C/C=C\c2ccccc2Cl)CC1 5065087 BJMVUTQTICUHQJ-VURMDHGXSA-N 327.855 4.337 0 40 EIAB Cc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C 5164479 AWCMRVVDUGXYJZ-VKXNWWILSA-N 332.447 4.022 0 40 EIAB CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(N(C)C)cc12 5572626 CEDFPKBDFUAJEI-INIZCTEOSA-N 328.504 4.223 0 40 EIAB Cc1sc(NC(=O)C(C)C)nc1-c1ccc(Br)cc1 5697231 GWNZOCSGMFAJPE-UHFFFAOYSA-N 339.258 4.476 0 40 EIAB CCc1cc2c(=O)n(CCCc3ccccc3)c(=S)[nH]c2s1 6621405 VIJSPBYHFSMFFU-UHFFFAOYSA-N 330.478 4.316 0 40 EIAB O=C([C@@H](Sc1ncnc2ccccc12)c1ccccc1)N1CCCC1 6991367 CTNLGFUBUUSPOM-SFHVURJKSA-N 349.459 4.086 0 40 EIAB CN(CC(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCc2ccccc21 8126391 MFYPFKDTUSASQY-SFHVURJKSA-N 346.833 4.427 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 8140462 KEYPRTYZRQCJRE-XJKSGUPXSA-N 332.444 4.342 0 40 EIAB CCCCC(=O)n1nc(-c2cccs2)nc1NCc1ccc(C)o1 9667679 ROMPXPIYKBIZSX-UHFFFAOYSA-N 344.440 4.351 0 40 EIAB CCc1ccc2nc(NC(=O)c3ccc(NC(C)=O)s3)sc2c1 10815649 ULJSXOATZZZWDT-UHFFFAOYSA-N 345.449 4.131 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 11220318 DWCAJGQBMBFAGL-AWEZNQCLSA-N 347.414 4.353 0 40 EIAB CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCOC)cc1 12241218 JNCLGGQLGJPOQY-GOSISDBHSA-N 331.481 4.283 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3C)cc2)cs1 12620991 GKSTWQHLDKUSIF-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CC(C)c1noc2ncc(C(=O)OCc3c(F)cccc3Cl)cc12 12751536 IQUQQHOGXQWSMM-UHFFFAOYSA-N 348.761 4.496 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c(C)c1 14256167 NMZJRARHVHDTIN-UHFFFAOYSA-N 327.808 4.205 0 40 EIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc2ccccc12 15860036 GOWCZKPIPFCRHJ-FQEVSTJZSA-N 348.446 4.390 0 40 EIAB O=C(NCCc1ccc(N2CCCC2)cc1)c1c(F)cccc1Cl 16847208 VXRVVNREDHPGPZ-UHFFFAOYSA-N 346.833 4.052 0 40 EIAB CC(C)c1nccn1[C@@H](C)c1cc(O)n2ncc(-c3ccccc3)c2n1 19454343 ZZRCXCMFENIQSG-AWEZNQCLSA-N 347.422 4.031 0 40 EIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2c[nH]nc2C)n1 19690592 WAANQZVCKGBUDZ-HXUWFJFHSA-N 346.434 4.066 0 40 EIAB CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 20029860 XJQOEALTALMNSG-LLVKDONJSA-N 341.885 4.101 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCCC1 20492477 QNMAREWOKQSCFI-KRWDZBQOSA-N 339.476 4.165 0 40 EIAB O[C@](COc1ccc(Cl)cc1)(c1ccccc1)c1cccnc1 22115043 ZNNXRDNAVHZYKP-LJQANCHMSA-N 325.795 4.050 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc3c(C)c(C)[nH]c23)c1 24914081 RVBLLIJVLJSMIF-AWEZNQCLSA-N 349.434 4.234 0 40 EIAB CCCc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)[nH]n1 25602872 IMYCQHJBGVJNOR-UHFFFAOYSA-N 326.425 4.046 0 40 EIAB Cc1ccc(NC(=O)COC(c2ccccc2)c2ccccc2)nc1 27642567 DUHSHPHSAFHYMX-UHFFFAOYSA-N 332.403 4.135 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 30011943 JJSJXTDJPRGPHL-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB COc1ccc([C@H](O)[C@@H](NCc2ccccc2)c2ccccc2)cc1 31961938 ZVOJPKQDEDCIGN-VXKWHMMOSA-N 333.431 4.260 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 34319493 NTIDOCUQWIFRTK-VTBMCCKRSA-N 334.500 4.179 0 40 EIAB Cc1ccc(C)c([C@H](O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 36743850 VOFQAAUHBRLSNS-LAUBAEHRSA-N 349.478 4.093 0 40 EIAB CC1=C[C@]2(Nc3cc(C)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40545535 NYAJELGRKZZJBO-OAQYLSRUSA-N 345.402 4.443 0 40 EIAB CC(C)c1cc(Br)ccc1OCC[C@@H]1CCCNC1 42770416 DUDNVADZCHQUPT-ZDUSSCGKSA-N 326.278 4.341 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](c2cccs2)C(C)C)on1 44967132 KNVKCKOOFRLKSB-BBRMVZONSA-N 333.457 4.288 0 40 EIAB Clc1cc(Cl)c2oc(-c3ccc(-n4cnnc4)cc3)nc2c1 45920439 RKSXOVBASWDUPA-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 46970228 GAWHCOUFWOZLCH-HOTGVXAUSA-N 326.440 4.274 0 40 EIAB CCc1cccc(CC)c1NC(=O)CNCc1cccc(Cl)c1 58160401 MMWZAZZAHPHOME-UHFFFAOYSA-N 330.859 4.193 0 40 EIAB CC1=NN(c2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2)CC1 58190325 VJSHAQAZQPQPPP-LJQANCHMSA-N 347.462 4.123 0 40 EIAB CCN(CC)C(=O)c1cc(Cl)c(Br)c(Cl)c1 59842943 JUTZHEBTRSQOIX-UHFFFAOYSA-N 325.033 4.238 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(F)ccc1N1CCCCC1 65500959 VKEYEVQNYBGILO-GFCCVEGCSA-N 345.418 4.163 0 40 EIAB Cc1ccc(C)c(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c1 69779360 IAMAVMUNKJHCKV-AWEZNQCLSA-N 337.448 4.313 0 40 EIAB CC[C@@H](Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(F)cc1F 71915834 KRUWCSNZQFFLHB-MRXNPFEDSA-N 334.366 4.495 0 40 EIAB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 72302486 QKVDNDQCXUJFCD-HOTGVXAUSA-N 346.272 4.320 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 72331199 BYIPYQYEDLYBFG-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB CN(Cc1ccccc1)C(=O)CCn1ccc2c(Cl)cccc21 72403734 VTABFLRYVSDAOB-UHFFFAOYSA-N 326.827 4.343 0 40 EIAB Cc1ccc(-n2c(SC3CCCC3)nc3ccccc3c2=O)nc1 84191697 MAIVQLQHNQQKCD-UHFFFAOYSA-N 337.448 4.124 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 95080623 JGSCIYPSHQRISX-HNNXBMFYSA-N 327.428 4.191 0 40 EIAB in-vitro CCSc1ccccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 95413276 HTQJEYYZOXTZIP-TZMCWYRMSA-N 334.441 4.025 0 40 EIAB CSC[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 95963041 CUDUDHBFLGTHPH-QWRGUYRKSA-N 332.296 4.308 0 40 EIAB CSc1ccc(O[C@H](C)C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 96418249 NRLMQQCNJOUVHD-CQSZACIVSA-N 347.484 4.209 0 40 EIAB Cc1ccc(NCc2cnc(C(C)(C)C)s2)cc1C(=O)N(C)C 96482927 RLBOOZKHVKCCIS-UHFFFAOYSA-N 331.485 4.063 0 40 EIAB Cc1nc(CSCCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cs1 105953111 GIAVUGDTNOYDPQ-AOLWHUPESA-N 338.542 4.016 0 40 EIAB Cc1ccsc1[C@H](C)NC1CCN(C(=O)c2ccccc2F)CC1 155149980 JOBUPHQSBGMGKJ-AWEZNQCLSA-N 346.471 4.151 0 40 EIAB CC[C@H](NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccncc1 180790309 IKXMSANZELNMLO-FBVQUNGASA-N 345.487 4.053 0 40 EIAB COC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 216814604 ILTMJWLWBXVBIU-UHFFFAOYSA-N 329.154 4.498 0 40 EIAB Cc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1C 224014808 WNYGYGCPHSQXDQ-UHFFFAOYSA-N 325.452 4.340 0 40 EIAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)N1CCCCC1 225150544 OXBFAKHWOPQTII-GOSISDBHSA-N 341.476 4.319 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)cc1C 225580119 RVUMDRXPASKVEA-KRWDZBQOSA-N 333.545 4.244 0 40 EIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 225642644 FMMZBAJAHIMTMF-UHFFFAOYSA-N 336.435 4.100 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC(C)(C)C 225884381 NCRIVSCAQOZRHT-SFHVURJKSA-N 349.540 4.371 0 40 EIAB CCCOc1cccc(C(=O)Nc2cc(N)ccc2N(CC)CC)c1 226261578 KLRMPXYZXLRJIY-UHFFFAOYSA-N 341.455 4.156 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Nc1ccc2snnc2c1 409002341 TYSQNQDTFAJKAX-UHFFFAOYSA-N 342.493 4.300 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 409109316 BOCFXRYVLPRCMU-CQSZACIVSA-N 343.448 4.291 0 40 EIAB CCCN1C(=O)N/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409231759 MBWKBQKELKDFAB-RVDMUPIBSA-N 342.420 4.042 0 40 EIAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2 37534 UMJQNECHFKBYIO-UHFFFAOYSA-N 347.411 4.195 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 352746 QHHDYPYDVOOPPP-QZTJIDSGSA-N 335.831 4.073 0 40 EIAB COc1cnc(SC)nc1Sc1cccc(C(F)(F)F)c1 1391927 YDQDEGDEQWZFTJ-UHFFFAOYSA-N 332.372 4.377 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc3ccccc3c2)cc1OC 3549164 VQYLYVUQLGEGLN-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB COc1cc(C(=O)Nc2nccs2)cc(Cl)c1OCC(C)C 3549629 LMKWKUZUNYZVRZ-UHFFFAOYSA-N 340.832 4.092 0 40 EIAB Cc1ccccc1-c1nsc(SCC(=O)c2ccccc2)n1 4167498 WURFSMFMQVWYIA-UHFFFAOYSA-N 326.446 4.489 0 40 EIAB CCCCC(=O)Nc1nnc(SCc2ccccc2F)s1 4328709 LUVKAEUTVDVSMY-UHFFFAOYSA-N 325.434 4.098 0 40 EIAB O=C(CCSc1nnc2ccc3ccccc3n12)Nc1ccccc1 4426062 OQNGUKBDBGYYDH-UHFFFAOYSA-N 348.431 4.003 0 40 EIAB COc1cccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)c1 4501744 JHXKTTSDSZYLTG-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Cc1ccc(S(=O)(=O)[C@@H](c2ccccc2)c2c(C)noc2C)cc1 4656169 ZEKHPEYYOIKDQJ-IBGZPJMESA-N 341.432 4.163 0 40 EIAB COc1cccc(-c2cnc(NCc3cccc(Cl)c3)n2C)c1 4678586 XXRUMQZRSWGYSQ-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB COc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 4815974 MZSXMMIXKYTCGW-UHFFFAOYSA-N 325.477 4.325 0 40 EIAB CC(C)N1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 4887855 YRKFSSLTFSMBQS-ALOPSCKCSA-N 335.879 4.255 0 40 EIAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(N)sc4C)ccc32)c1 4933385 SQEFZNZGOGJFLU-UHFFFAOYSA-N 349.459 4.212 0 40 EIAB COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nn1 5259569 NXIYMWQDVYYJMX-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c(C)c1 5269195 UIJIMFWZXQZQIN-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 6372721 BXFBXSLFJCSZAC-JTQLQIEISA-N 343.276 4.130 0 40 EIAB CC(C)Cn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 6752594 GZURFKZNVYLIIO-UHFFFAOYSA-N 341.499 4.321 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1C(=O)O)c1ccccc1Cl 6940642 ADLFZWJQAGRORH-UHFFFAOYSA-N 343.688 4.309 0 40 EIAB C#CCn1c(C)c(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 7375605 WTWCMIVUPYSTSG-BUHFOSPRSA-N 329.399 4.488 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=S)NCCc1ccccc1 7403854 HURSNSNORBNSAW-MRXNPFEDSA-N 330.522 4.175 0 40 EIAB CCn1c(SCC(=O)c2cccc(F)c2)nnc1-c1ccccc1 7579190 LWTPAGLTKXSPOJ-UHFFFAOYSA-N 341.411 4.079 0 40 EIAB CS(=O)(=O)c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 7736653 ILSXXSKDYLOQNY-UHFFFAOYSA-N 333.409 4.020 0 40 EIAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)oc2c1ccc1ccccc12 7769855 JMSPZGOYVLYTAE-UHFFFAOYSA-N 344.370 4.246 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 8038678 BDFLJGQEGDMXBT-OAQYLSRUSA-N 348.446 4.324 0 40 EIAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCCCCCC1 8338884 QEXMTYHWYYXLGC-CYBMUJFWSA-N 328.378 4.299 0 40 EIAB CCn1c(SCC(=O)c2ccccc2Cl)nnc1-c1ccco1 8620077 DMKIOQWQIBWAJN-UHFFFAOYSA-N 347.827 4.186 0 40 EIAB C[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(F)cc2)s1 8913935 GHXDIHGPINBETL-NSHDSACASA-N 327.384 4.081 0 40 EIAB COc1ccc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 9641980 QLXICDXCWVMSSV-UHFFFAOYSA-N 348.427 4.182 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCc2sccc2C1 10767838 ZLHGBZULJGYMSZ-LBPRGKRZSA-N 334.872 4.095 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2F)cc1OC 11563047 HHHGPMHRYKJPGQ-INIZCTEOSA-N 344.386 4.212 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 11637000 RXXHOXFLBWWGJQ-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB Cc1ccc(C)c(O[C@@H]2OCCO[C@@H]2Oc2cc(C)ccc2C)c1 12559384 FIWQEUYGWOXXMV-BGYRXZFFSA-N 328.408 4.077 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(N2CCCC2=O)c1 12807146 MRDZZYCQJOCRCH-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CCOc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1OC 12922191 DGBLPTNSVWIBHZ-GOSISDBHSA-N 339.435 4.244 0 40 EIAB CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc2ccccc12 12936408 XFLVZTALHWDAFU-UHFFFAOYSA-N 347.462 4.436 0 40 EIAB Clc1ccc(-c2noc(-c3occc3Br)n2)cc1 13671434 XJAWNFCAHCKUCE-UHFFFAOYSA-N 325.549 4.413 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 14553020 OWZQIBPKKUCGBZ-GFCCVEGCSA-N 334.213 4.164 0 40 EIAB O=C(Cc1csc(-c2cccc(F)c2)n1)Oc1ccc(F)cc1 15356094 SXRWFEGJJUOUEA-UHFFFAOYSA-N 331.343 4.236 0 40 EIAB COc1ccc(OC(=O)Cc2csc(-c3ccsc3)n2)cc1 19358370 OZMZPVJNTWXVMZ-UHFFFAOYSA-N 331.418 4.028 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)c(Cl)c1 20456576 HMVVLTNOGXMPSG-MRXNPFEDSA-N 337.778 4.284 0 40 EIAB CC(C)OCCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 32747837 DVKRPERRDLJIGK-UHFFFAOYSA-N 338.407 4.040 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F 36390391 LMHGMIDPLUOYBX-SRVKXCTJSA-N 332.341 4.307 0 40 EIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccccc1F 40106911 DIMICPACYASRAH-PKNBQFBNSA-N 338.382 4.135 0 40 EIAB CC(C)OCc1cccc(CNC(=O)CCCc2ccccc2)c1 40122269 CCLJBXZVSZYLDE-UHFFFAOYSA-N 325.452 4.251 0 40 EIAB C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)n1cnc2ccccc21 43841638 DXKKXMSEKVUNCJ-XJKSGUPXSA-N 325.437 4.023 0 40 EIAB CCOc1ccc(NC(=O)Nc2ccccc2Br)cc1 51355989 AIQXDDZLLSIABB-UHFFFAOYSA-N 335.201 4.492 0 40 EIAB CC(C)CCn1c(=S)[nH]c2c(-c3ccccc3)cn(C)c2c1=O 57519869 RQYHNMMGFYUVGK-UHFFFAOYSA-N 327.453 4.111 0 40 EIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4C)no3)o2)cc1C 65185471 BCBYNQOTNGBOHL-UHFFFAOYSA-N 346.390 4.303 0 40 EIAB Cc1csc(-c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)n1 69351678 OUIRCPRUIFPUTC-UHFFFAOYSA-N 349.459 4.318 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 69417713 ARQPSOYZFUFDRL-UHFFFAOYSA-N 341.411 4.215 0 40 EIAB Cc1nccn1[C@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 70008684 SBZYUUGJHIROPT-ZDUSSCGKSA-N 343.427 4.023 0 40 EIAB Nc1cc(Cl)c(NC(=O)c2ccc(F)cc2)cc1N1CCCCC1 72229317 CHAIXBIRNSDQGL-UHFFFAOYSA-N 347.821 4.304 0 40 EIAB O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccncc2)cs1 72404102 RXBCBGNUEACGRG-UHFFFAOYSA-N 348.431 4.189 0 40 EIAB COc1cccc(Nc2ccccc2C(=O)N(C)c2nccs2)c1 76595221 HEGUPQDPTBALOU-UHFFFAOYSA-N 339.420 4.172 0 40 EIAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 95948787 MTECQASRJFIVPK-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2OC(C)C)cc1 96137185 ZLYGRGMOHZGLIE-OUKQBFOZSA-N 331.437 4.195 0 40 EIAB Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 102550067 OWIIOMAKHSFEFP-UTBUEMAESA-N 345.442 4.233 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)c(OC)c1OC 107907922 FOOJHJVAWRZVHY-VZUCSPMQSA-N 347.798 4.018 0 40 EIAB COc1ccccc1NC(=O)NCc1cncc(-c2ccsc2)c1 206949202 QKCQLSPHOSSFAZ-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB O=C(Nc1ccccc1Cl)c1cnc(-c2ccc(F)cc2)nc1 222612571 CICRFWCRYOWLBU-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 223675383 DGLVYAQUKFQRSP-UHFFFAOYSA-N 345.464 4.426 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1C 224826159 NXVJGUWTZRYIIO-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1Cl)C(=O)O 225076776 CUWJBXKZPPMRCV-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB COc1cc(CNC(=S)Nc2ccccc2F)ccc1OC(C)C 225530759 MQQKHODQDQOFBW-UHFFFAOYSA-N 348.443 4.108 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1 257273660 NHPZUGNUWMRVQK-ZDUSSCGKSA-N 345.468 4.005 0 40 EIAB Cc1cc(F)c(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 952885635 FHXOUWVEEDHRKS-GJZGRUSLSA-N 340.826 4.257 0 40 EIAB Cc1sc2ncnc(Nc3ccc([C@H](C)CC(N)=O)cc3)c2c1C 1612988500 MXICNAQLNLHVEQ-SNVBAGLBSA-N 340.452 4.031 0 40 EIAB C[C@@H](CN[C@H](CCC(F)(F)F)c1cccnc1)c1nccs1 1615571832 PLMJJJHVWODZFK-WCQYABFASA-N 329.391 4.315 0 40 EIAB Cc1cc(S(=O)(=O)N(C)c2ccc(F)c(Cl)c2)cc(C)c1F 1661155975 ZQKVXUOFFSNLNJ-UHFFFAOYSA-N 345.798 4.060 0 40 EIAB CCOC(=O)c1cnc2c(OC)cccc2c1NCc1ccccc1 90688 OYFLKSDCQILRSQ-UHFFFAOYSA-N 336.391 4.032 0 40 EIAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3C)sc2c1 365090 OSXRFADDLOHOOK-CYBMUJFWSA-N 326.421 4.319 0 40 EIAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 1713633 HUINMZVYBSWLCT-IHPCNDPISA-N 336.431 4.485 0 40 EIAB CC1(C)[C@]2(C(=O)Oc3ccc(Cl)cc3Cl)CC[C@@]1(C)C(=O)O2 2882979 MTEKMBMHBCVBJU-JKSUJKDBSA-N 343.206 4.021 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccnc1Cl 3397243 XXIFPQNUKLUHPZ-LBPRGKRZSA-N 346.814 4.044 0 40 EIAB C[C@@H]1CCc2c(sc3ncn4c(CCc5ccccc5)nnc4c23)C1 4056132 SVGHOZOHFYXKOE-CYBMUJFWSA-N 348.475 4.249 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 4427355 WUQQBLWRKADKHW-LLVKDONJSA-N 336.218 4.350 0 40 EIAB C[C@@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 5528778 NWHZVSMGAGNZPB-LLVKDONJSA-N 343.345 4.156 0 40 EIAB C[C@]12C=C3C[C@H](OC(=O)c4ccccc4)CC[C@@]3(O1)c1ccccc12 5573339 VWKAYLAMUFEYKZ-YHYVQYDKSA-N 332.399 4.477 0 40 EIAB O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)OCCCO2 6052964 BPQCFMYDSFMNBE-UHFFFAOYSA-N 349.386 4.019 0 40 EIAB CCCC(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12 6349633 OKACTRDVUIMCSZ-UHFFFAOYSA-N 340.467 4.463 0 40 EIAB CCCn1c(NC(=O)c2ccc(Br)o2)nc2ccccc21 6516443 WORLBCVNYRLXAE-UHFFFAOYSA-N 348.200 4.054 0 40 EIAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1 6815986 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Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccccc2Cl)o1 49548105 UZVYPWLUGNKPRV-NSHDSACASA-N 327.771 4.457 0 40 EIAB c1csc(-c2n[nH]cc2CN[C@H]2CCSc3ccccc32)c1 53945947 WZRDQVLJJFDBRJ-AWEZNQCLSA-N 327.478 4.465 0 40 EIAB COCCn1cc(C(=O)Nc2cnc3ccccc3c2)c2ccccc21 57430143 NHEZXUSKXKHSCS-UHFFFAOYSA-N 345.402 4.088 0 40 EIAB O=C(Nc1cccc2cnccc12)c1cnn(-c2ccccc2Cl)c1 64655874 OVMOCIIDGKBOJX-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccccc1Cl 65720498 ZPSHKKHHPAJODP-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cc(C)ccc1OC 76018459 DBTRXTHTBKIAQQ-YJBOKZPZSA-N 341.455 4.252 0 40 EIAB CC(=O)Nc1c(C)cc(NC(=O)CCO[C@H](C)CC(C)C)cc1C 87374986 OAHVLFFLOAAKSQ-OAHLLOKOSA-N 334.460 4.042 0 40 EIAB O=C(O[C@H]1CCCCC1=O)c1cc2ccccc2n1Cc1ccccc1 89841004 BFUHZQNAPWTOAX-NRFANRHFSA-N 347.414 4.358 0 40 EIAB CC(C)(C)OC(=O)N1CCC(CNc2nsc3ccccc23)CC1 91365903 ONVFBVQVUKWUJH-UHFFFAOYSA-N 347.484 4.355 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cccnc1)[C@H]1CSc2ccccc21 95398483 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Nc1nnc(-c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)o1 216847281 OKUKZEYVHILFRT-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1C 223218691 CBELBYXEZZPHAU-SJORKVTESA-N 337.463 4.437 0 40 EIAB Cc1ccc(OCC(=O)NCCOc2ccccc2C(C)C)cc1C 223776290 CCIKSZNRVPLNQP-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB COc1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225323839 DPXRDTRLVAPJGV-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB C[C@H](C1CCC(O)(c2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 265540638 LEACKGHVTGCAEX-DFKVSPJYSA-N 326.436 4.140 0 40 EIAB CCOc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC 409010107 DIHDOEDFPHSFGO-PILJQMSFSA-N 349.452 4.319 0 40 EIAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@H]5N=NC=C5C[C@]4(C)[C@@H]3CC[C@@]21C 1570001136 WHTKQORXELDYSO-QPDDYRHHSA-N 344.499 4.079 0 40 EIAB O=C(CCF)N1CCC2(CC1)C[C@H](c1ccccc1)c1ccccc12 2055745717 WPFDKGUCKKSYBQ-LJQANCHMSA-N 337.438 4.442 0 40 EIAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(O)c1 71938 NBZUXTQDPXLLSI-UHFFFAOYSA-N 336.391 4.478 0 40 EIAB Cn1c2ccc(F)cc2c2nnc(SCc3ccc(F)cc3)nc21 1366350 NCNLVZYAQNUCQG-UHFFFAOYSA-N 342.374 4.087 0 40 EIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCc2ccccc21 2080195 MSKSZPXDWLNVOO-UHFFFAOYSA-N 329.827 4.397 0 40 EIAB CCC(CC)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 2651590 CIZFHUBTLNEZEG-UHFFFAOYSA-N 341.839 4.415 0 40 EIAB CCCOc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O 2716433 KVMCZEHBLITKQP-UHFFFAOYSA-N 329.827 4.327 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1O 3378398 HUOKVXWYEUUAMJ-ZDUSSCGKSA-N 341.407 4.010 0 40 EIAB COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)cc1 3562722 VSFSCSUJARWZPN-UHFFFAOYSA-N 344.461 4.387 0 40 EIAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cccc(F)c1 4249050 QCCFBNODWXMRPP-UHFFFAOYSA-N 339.395 4.047 0 40 EIAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(F)cc3)[nH]c2c1 4273889 RWGYTRNDYKVNJB-SNVBAGLBSA-N 330.384 4.074 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc12 4939671 NLWQOAIFJMMGNW-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB O=C(NCCOc1cccc2ccccc12)c1ccc(Cl)cc1 5876616 HQWAEXWTMBTJLU-UHFFFAOYSA-N 325.795 4.302 0 40 EIAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1c(F)cccc1F 6343443 CAHVHGACQVRTMO-LLVKDONJSA-N 325.380 4.279 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 6540943 IRZLGUQHMKGQGH-CQSZACIVSA-N 325.408 4.420 0 40 EIAB COc1cc(OC)c(NC(=O)CCCOc2ccccc2)cc1Cl 6580091 OSGYLLJNGSDMFK-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB COc1cccc(CC(=O)N(Cc2ccccc2)Cc2ccco2)c1 6589748 QUHFUOIRVYGNEN-UHFFFAOYSA-N 335.403 4.060 0 40 EIAB Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 7580323 NEAVGSRJGJGKTJ-UHFFFAOYSA-N 340.448 4.290 0 40 EIAB Cc1ccsc1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 7737894 QMYKOXKABNJGQM-XUXNNNHQSA-N 332.465 4.387 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1Cc2ccccc2O1 7946892 QLPDRERINSIXPU-FQEVSTJZSA-N 331.371 4.421 0 40 EIAB CC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 7952881 QGIZRSAOXYETIR-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB O=C(Nc1ccncc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383068 KZNZNDSFKGRNFR-UHFFFAOYSA-N 336.778 4.218 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCCC2 8430161 LVDYMIGJGJYXHV-UHFFFAOYSA-N 348.490 4.091 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)NOCc1ccccc1 10319300 AKPWUQJICKRURG-UHFFFAOYSA-N 330.434 4.042 0 40 EIAB Cc1cccc2c1N(CCCOc1cccc3ccccc13)C(=O)C2=O 11612459 SUCURQMBBMTJIS-UHFFFAOYSA-N 345.398 4.147 0 40 EIAB C[C@@H]1CCc2noc(NC(=O)COc3ccc(C(C)(C)C)cc3)c2C1 11915422 VGSMOZPHHGGCLP-CYBMUJFWSA-N 342.439 4.114 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1 12521877 HFMAHKZHWMDPFO-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB COc1cccc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c1 12769361 YYGSXBFWNOAZCL-UHFFFAOYSA-N 345.442 4.431 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)c1cccc2ncccc12 12781295 TYBTVHPKEHLGGP-UHFFFAOYSA-N 347.462 4.007 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)Nc3cccc4ncccc34)sc2n1 12800055 RVEJSUSHZBMMIY-UHFFFAOYSA-N 348.431 4.417 0 40 EIAB Cc1c(C(=O)CSc2nnc3ccccn23)sc2ccccc12 12857025 JDYFLKUCTQMLOK-UHFFFAOYSA-N 339.445 4.227 0 40 EIAB Cc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 18159281 FDITWSSWIQMEGD-MRXNPFEDSA-N 343.452 4.024 0 40 EIAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC(c2noc3cc(F)ccc23)CC1 19346141 JBBSLHAKQMXMML-MVVMVCHASA-N 342.414 4.109 0 40 EIAB CCCN1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 19738931 FUIRDVYOWRVHPW-QGZVFWFLSA-N 327.472 4.311 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20141691 UQUXFHDVUCIKDY-UHFFFAOYSA-N 337.375 4.090 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1 20483371 MXEIWSFGZCWDBG-HNNXBMFYSA-N 331.843 4.349 0 40 EIAB Fc1ccccc1-c1n[nH]c(SCc2cc(-c3ccco3)on2)n1 23880930 PXMUFRZZOQNPCZ-UHFFFAOYSA-N 342.355 4.151 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 24961976 YCIDZBHUSZLIBA-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCCc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)[nH]n1 25604954 IBNOUEVXCPBQSJ-UHFFFAOYSA-N 326.425 4.046 0 40 EIAB CCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 27242927 FQEJBTHMFKQDPF-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB O=C(CSc1nccn1-c1ccccc1)c1c[nH]c2ccccc12 27486185 ADUOHBUCZMATQB-UHFFFAOYSA-N 333.416 4.329 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@H](O)COC12CC3CC(CC(C3)C1)C2 27533975 SDEPULSXAHNYTN-QQABJKMWSA-N 337.548 4.137 0 40 EIAB N#C/C(=C\c1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1 29958052 WYMZVMACJFLOFT-GHRIWEEISA-N 344.370 4.404 0 40 EIAB CC(C)N(Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1CC1 30587257 QIQZUPVUFZEIGW-UHFFFAOYSA-N 334.514 4.308 0 40 EIAB O[C@@H](CNc1ncnc2c1oc1ccccc12)c1ccc(Cl)cc1 30859655 JLWVRFKJDRXTEM-AWEZNQCLSA-N 339.782 4.175 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NOCc3ccccc3)ccc2c1 32748060 VBUFXXRQOCJRAE-OAHLLOKOSA-N 335.403 4.200 0 40 EIAB COc1cccc(Nc2c(-c3cccc(O)c3)nc3ccccn23)c1 35616214 VJVAQYXILUZMQF-UHFFFAOYSA-N 331.375 4.459 0 40 EIAB Cc1ccc(-c2ncc(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 35681813 HNKOIQGITBGQRR-UHFFFAOYSA-N 333.796 4.136 0 40 EIAB CCOc1ccccc1CS(=O)(=O)c1ccc2ccccc2c1 36393769 HVZVUSKSRLWVBR-UHFFFAOYSA-N 326.417 4.212 0 40 EIAB Cc1ccc(CN(C)C(=O)NCCSCc2cccs2)cc1 40071185 IMNMMKOOEWARQD-UHFFFAOYSA-N 334.510 4.131 0 40 EIAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1 48189650 CQHBMUXBQHDLFJ-JTQLQIEISA-N 341.263 4.185 0 40 EIAB Cc1cc(C)n2cc(CSc3cc(C)c4ccccc4n3)nc2n1 48655595 ITSSAPJORNDMPT-UHFFFAOYSA-N 334.448 4.495 0 40 EIAB Fc1ccc([C@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 51375980 AZCBIPBUGWYUDY-MRXNPFEDSA-N 340.427 4.076 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)NCc1cc2ccccc2[nH]1 58111843 UGRDHIDLIVSKRN-UHFFFAOYSA-N 344.867 4.371 0 40 EIAB CC1=NN(c2ccc(C(=O)NC[C@@H]3CCCc4ccccc43)cc2)CC1 58356859 VJSHAQAZQPQPPP-IBGZPJMESA-N 347.462 4.123 0 40 EIAB CC(C)(C)[C@@H](NC(=O)Nc1cn[nH]c1)c1cccc(C(F)(F)F)c1 60374488 NQNUJHNFLZSXJZ-ZDUSSCGKSA-N 340.349 4.337 0 40 EIAB COc1nc(C(=O)NC2(c3ccccc3)CCC2)cc2ccccc12 65611490 DYDPIBVHUREUNL-UHFFFAOYSA-N 332.403 4.053 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cc1 66089060 HQPARUVIILBVDN-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB CC(C)(C)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 66841767 FWMHFPRJDRDVOX-UHFFFAOYSA-N 343.298 4.120 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3ccccc23)on1 69351224 WBPGYOIKDDQZQY-IBGZPJMESA-N 347.418 4.386 0 40 EIAB Fc1cc(F)c(SCc2nccn2CC(F)(F)F)c(F)c1 69772900 IJTKIQDIWXUOQY-UHFFFAOYSA-N 326.265 4.155 0 40 EIAB Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](C(F)(F)F)C3)o2)cc1 71837416 KCYLWFYTAFHEDH-OCCSQVGLSA-N 339.361 4.380 0 40 EIAB Cc1noc(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 71894100 RMJZIJPGSPGOSP-MNOVXSKESA-N 325.195 4.340 0 40 EIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)N1CCCCCC1 72309715 SUCJNUVEUZAKPY-UHFFFAOYSA-N 336.457 4.210 0 40 EIAB CCCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 72331463 XZPQAZJQMRPABT-UHFFFAOYSA-N 348.240 4.168 0 40 EIAB CC(C)Nc1cc(F)ccc1NC(=O)c1occc1Br 81782602 IRUNFDBLMBARHC-UHFFFAOYSA-N 341.180 4.254 0 40 EIAB O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 86278388 JVCJQLDNNSNLMV-QZTJIDSGSA-N 344.480 4.315 0 40 EIAB C[C@@H](c1ccccn1)N(C(=O)N[C@H](C)c1ccc(F)c(F)c1)C1CC1 86338435 VDCZCQRNIMAAED-OLZOCXBDSA-N 345.393 4.356 0 40 EIAB O=C(NC1CCC(c2ccccc2)CC1)c1ccccc1-n1cccn1 89828070 JBUZSBLJNHZLPT-UHFFFAOYSA-N 345.446 4.329 0 40 EIAB CCCOc1ccc(CNc2cc(C(=O)NCC)ccc2C)cc1 95350770 SKXCAUNYLRFPKS-UHFFFAOYSA-N 326.440 4.146 0 40 EIAB CCc1ncc(CN[C@H](Cc2ccc(C)cc2)c2cccnc2)s1 95409420 MKSFUCZHNKXEDD-LJQANCHMSA-N 337.492 4.483 0 40 EIAB Cc1noc(C2CC2)c1NC(=O)c1cccc(Br)c1C 96012110 ZQRNSFJGZQITQA-UHFFFAOYSA-N 335.201 4.184 0 40 EIAB CCN(C)C(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96037922 WYQNULSMJHXRBA-UHFFFAOYSA-N 336.439 4.010 0 40 EIAB CO[C@](C)(CNC(=O)c1cc2ccccc2s1)c1ccccc1F 96391042 RDFOHIDIXXLWKH-LJQANCHMSA-N 343.423 4.332 0 40 EIAB c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc(OCc2cscn2)c1 97232287 CREWLHZUAQZBJT-KURKYZTESA-N 342.464 4.092 0 40 EIAB CCOc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C)cc23)cc1 100891113 WKGFPMNOUPTWGI-XLIONFOSSA-N 338.407 4.163 0 40 EIAB C[C@@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 195528602 ZVUILHDCYIJURD-QKCSRTOESA-N 332.341 4.307 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCSc2ccccc2)cc1 222874620 UAVBLDODQNLZHG-LJQANCHMSA-N 343.492 4.315 0 40 EIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1 223391075 PTYXHYCDPBCMKD-AWEZNQCLSA-N 349.883 4.154 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223444920 NBKLDRSMWDTOKK-KRWDZBQOSA-N 331.481 4.101 0 40 EIAB CC(C)c1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1 224598064 OLZACNDYDDJYSB-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COCC(C)C 224740454 VTJYTQMLBYTZMU-UHFFFAOYSA-N 333.472 4.274 0 40 EIAB Cc1cccc2c(C[C@H](C)NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)c[nH]c12 248339607 TXEHMLKZUFDAAC-RGIVZKHGSA-N 334.463 4.126 0 40 EIAB Cc1cnc([C@H](C)Nc2cnn(-c3ccccc3Br)c2)o1 390835742 WPWWAFIZBCXWJA-NSHDSACASA-N 347.216 4.104 0 40 EIAB c1ccc(-c2cnc(Nc3cccc([C@H]4CCCNC4)n3)s2)cc1 585263121 MQRORSLTCHQJHZ-HNNXBMFYSA-N 336.464 4.416 0 40 EIAB O=C(COc1cccc(Cl)c1)N(C1CC1)[C@H]1CCc2ccccc21 614346066 MCTXHNXOVXMVOL-IBGZPJMESA-N 341.838 4.397 0 40 EIAB Brc1cnc(NCc2ccc(-c3ccoc3)cc2)nc1 1775970986 TZMAQKWHUQIGJU-UHFFFAOYSA-N 330.185 4.111 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)c3ccccc23)c1 188629 HQBLXKWMCSNKRI-UHFFFAOYSA-N 337.448 4.286 0 40 EIAB CCCCn1cnc2scc(-c3ccc(OCC)cc3)c2c1=O 1892821 BENINGTZIQKAAB-UHFFFAOYSA-N 328.437 4.324 0 40 EIAB Cc1ccccc1Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21 1927055 RVEAVPRTQPTOOB-UHFFFAOYSA-N 335.451 4.055 0 40 EIAB COc1ccccc1-n1c(-c2ccc(C)cc2)nc2ccccc2c1=O 2217116 MRQNUCNKQICMBO-UHFFFAOYSA-N 342.398 4.370 0 40 EIAB Cc1cccc(C[C@H](C)CC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)c1 4027955 AQCXSWOGSGUXKS-SESVDKBCSA-N 343.511 4.371 0 40 EIAB biogenic O=S(=O)(Oc1cccc2ccccc12)c1cccc2cccnc12 4146871 NUIZXCOIXVWAEY-UHFFFAOYSA-N 335.384 4.156 0 40 EIAB CCOc1ccc([C@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 4728647 WUCDVUYSHKJRHY-YADHBBJMSA-N 339.479 4.388 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5118983 NNSLJFSFUSAETP-LLVKDONJSA-N 336.794 4.317 0 40 EIAB COc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 6258912 OAGGZUKODHEABK-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 6652951 MTEKEEVZURTMKL-MGPUTAFESA-N 338.451 4.080 0 40 EIAB O=C(N[C@H](c1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 6659584 FKQFJKOMDFUBEH-QGZVFWFLSA-N 333.416 4.144 0 40 EIAB O=c1cc(CSCc2ccccc2)nc2sc3c(n12)CCCC3 6738852 NGEGZGLZFWDXLI-UHFFFAOYSA-N 342.489 4.068 0 40 EIAB COc1ccc([C@H]2O[C@H]2C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 7140943 NONMRNVMRORZLC-DZQQXJBLSA-N 349.430 4.016 0 40 EIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1 7339269 JPVUCGDPCQEDOZ-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB COc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)c(C)c1C 7636109 NSAWKFVYWDTJAI-SNVBAGLBSA-N 335.835 4.060 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccs1)c1ccc(Br)cc1 7645595 XAYKMHFDYJKQMI-FBOQAHMBSA-N 336.254 4.401 0 40 EIAB Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)n1 7817045 YWZXMZBIFLVHCH-VIFPVBQESA-N 344.408 4.172 0 40 EIAB C[C@@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 7981192 DLVFVHNKEMSGIL-BEFAXECRSA-N 340.492 4.058 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC 8041328 WCAHPPWRJKDNDU-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB CN(C(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccccc1 8105557 VRPAYEXKHMXXAV-UHFFFAOYSA-N 347.414 4.421 0 40 EIAB C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc2ccccc2c1 8226132 HDJYGLSVYROHOK-OAHLLOKOSA-N 336.410 4.438 0 40 EIAB CCCCn1nc(NC(=O)c2ccccn2)c2cc3ccccc3nc21 9359837 LMAIRWASYIPFRH-UHFFFAOYSA-N 345.406 4.032 0 40 EIAB CCOc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 11914563 FCXOWHMVAQHXGB-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB CC(C)c1c(C(=O)Nc2nccs2)cnn1-c1ccc(Cl)cc1 12920922 LPVFEBLPRBKOQA-UHFFFAOYSA-N 346.843 4.358 0 40 EIAB CCc1cccc(CC)c1NC(=S)NCc1nc2ccccc2[nH]1 13636257 OKRLANVKDWOHLA-UHFFFAOYSA-N 338.480 4.174 0 40 EIAB CCOc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl 16780644 CHPJRJYNDLPITF-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CCCC1 17178160 FBLPSOVBIIABPC-UHFFFAOYSA-N 348.446 4.408 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(COCC(F)(F)F)cc1 22012706 IGEVBRCLAXGGIY-UHFFFAOYSA-N 345.267 4.296 0 40 EIAB Fc1cccc(CCNc2nc(-c3ccncc3)nc3ccccc23)c1 24102882 ZFDBGFINDJJMAN-UHFFFAOYSA-N 344.393 4.486 0 40 EIAB Cc1ccc(Cn2nc(C)c(NC(=O)c3sccc3C)c2C)cc1 27922157 GMMQQFWDIYKREW-UHFFFAOYSA-N 339.464 4.479 0 40 EIAB C[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)n1cccn1 28434927 UZFILIVYXSNFBK-ZDUSSCGKSA-N 348.431 4.360 0 40 EIAB Cc1ccccc1OCCC(=O)Nc1cccc(OC(F)(F)F)c1 30886087 XXXSXZXVQROGPK-UHFFFAOYSA-N 339.313 4.301 0 40 EIAB Cc1nnc(NCCc2ccccc2)c2nn(-c3ccccc3)c(C)c12 36646279 LGKFGTWYWBIALB-UHFFFAOYSA-N 343.434 4.087 0 40 EIAB O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38832546 IMBGNGGONMQNRO-MRXNPFEDSA-N 334.891 4.001 0 40 EIAB FC(F)(F)Cn1ccnc1CSc1nc(-c2ccccc2)c[nH]1 57747738 NEPFCMNZANDXEH-UHFFFAOYSA-N 338.358 4.128 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCc1ccc(F)c(Cl)c1 60353342 HTDXFGZWOIDGIQ-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB CN(C)c1c(Cl)cccc1NC(=O)c1ccc(Cl)nc1Cl 64916825 QZGNAAACBRFVGP-UHFFFAOYSA-N 344.629 4.360 0 40 EIAB CC(C)CN(C)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 65517052 KJKHTIRHRRTCKW-UHFFFAOYSA-N 333.435 4.267 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)cccc2NC(=O)NC(C)C)cc1 66089482 YXFBTMZJKRJIKE-UHFFFAOYSA-N 325.412 4.086 0 40 EIAB CCO[C@@H](C)c1nc(CN(Cc2cccc(O)c2)C2CC2)cs1 76729183 ISFUTXXRRXHOIY-ZDUSSCGKSA-N 332.469 4.111 0 40 EIAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C 77271577 DAMKKSJPJNUUOH-OIFNNXFWSA-N 332.484 4.098 0 40 EIAB in-vitro Clc1cc(-c2nc(-c3ccccc3Br)no2)ccn1 89262836 LRXKBDZUZPVCFL-UHFFFAOYSA-N 336.576 4.215 0 40 EIAB Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 90728956 MLUPXVFQTVBHNU-KGLIPLIRSA-N 338.455 4.240 0 40 EIAB CCOC(=O)N1CCc2cc(NC(=O)[C@H](C)c3ccsc3)ccc21 95399342 KWPXPKHXFBEUCA-GFCCVEGCSA-N 344.436 4.009 0 40 EIAB CN(C1CCCC1)C(C)(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 95453207 HQACJQRZQXYAJQ-UHFFFAOYSA-N 341.455 4.297 0 40 EIAB CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1Cl 96012673 LNKFAQAWSGSVLB-HNNXBMFYSA-N 332.831 4.145 0 40 EIAB CCN(C)C(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 96154788 RXTNAYHQDAJWPJ-UHFFFAOYSA-N 336.439 4.010 0 40 EIAB Cc1ccc(CN2CCC3(CC2)C[C@@H](Oc2ccccc2)CO3)s1 96221813 LTXDYEJQIJMKCI-GOSISDBHSA-N 343.492 4.259 0 40 EIAB C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)C[C@H]1C 102947804 RPFFOOSNJXMCPE-BZPMIXESSA-N 339.382 4.051 0 40 EIAB COc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 113933060 MIAGJANZPOMYJQ-INIZCTEOSA-N 343.492 4.423 0 40 EIAB C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccsc1 195564825 GDMSEECWCKZBHA-ZTFGCOKTSA-N 344.480 4.071 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(F)cc3)N21 222642613 UTUDEFWKRHLGRB-BHYGNILZSA-N 327.428 4.200 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccco2)cc1 222879317 GUIAXLWPBFKRHJ-SFHVURJKSA-N 347.480 4.049 0 40 EIAB CCOC(=O)c1cc(NC(=O)Cc2ccc(C)cc2C)ccc1Cl 223835282 RSRAPLDPZHIXGF-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB CC(C)Oc1cccc(CNC(=S)Nc2c(F)cccc2F)c1 225523929 BARWVTCUZJDQHU-UHFFFAOYSA-N 336.407 4.239 0 40 EIAB Cc1cccc(NC(=S)NCCCSCc2ccccc2C)n1 225602286 DHBPDCLLBOCXGI-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB CCCN(CCC)C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531596 DSDLSTPXWGGGJD-AJYBTWMASA-N 325.537 4.091 0 40 EIAB COc1ccc(CN[C@H](c2cccc3ccccc23)C(F)(F)F)nn1 330032280 LBWDFUZDEQYJBR-QGZVFWFLSA-N 347.340 4.032 0 40 EIAB O=C(c1cc(-c2cccnc2)on1)N1CCCC[C@@H](c2ccccc2)C1 390828064 OGBDBNOVYDXAOZ-GOSISDBHSA-N 347.418 4.147 0 40 EIAB O=C(Nc1ccc(Cl)c2cccnc12)[C@@H]1CCOc2ccccc21 590453227 XWXGPUIQPAKAGR-CYBMUJFWSA-N 338.794 4.393 0 40 EIAB Cc1oc(-c2ccsc2)nc1CN1CC[C@@H](c2cccnc2)C1 645982152 XUJIPOQSRSEJBE-OAHLLOKOSA-N 325.437 4.096 0 40 EIAB CC(C)OC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCC2 92916 MRHSWMRSJLNSOE-UHFFFAOYSA-N 335.469 4.321 0 40 EIAB CC(C)c1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1 146795 WXHJHBDYRBUEBH-FMIVXFBMSA-N 333.435 4.058 0 40 EIAB Cc1sc2ncnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c2c1C 422603 QWEFXCZNLYDPKO-GWCFXTLKSA-N 349.525 4.095 0 40 EIAB Cc1ccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)c(C)c1 426418 KRLDUQGKGUSBFN-UHFFFAOYSA-N 335.455 4.201 0 40 EIAB ClC(Cl)(Cl)c1nc2c3c4c(sc3ncn2n1)CCCC4 521258 ILGKEEGYZWNZHK-UHFFFAOYSA-N 347.658 4.045 0 40 EIAB CCc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 558884 NQNQIDMRONULIK-UHFFFAOYSA-N 339.420 4.069 0 40 EIAB CCN(CC)CCCN[C@H](c1ccccc1)C(Cl)(Cl)Cl 1703164 OBALNJCALDIJID-CQSZACIVSA-N 337.722 4.419 0 40 EIAB COc1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 3114549 MLBYOHJFGKNLCJ-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2ccc(F)cc2)c(C)c1 3333080 QQRIRFNRMZMGKU-RMKNXTFCSA-N 326.367 4.190 0 40 EIAB C[C@H]1CCC[C@@H](C)N1Cn1nc2c(Cl)cc(Cl)cn2c1=S 3363026 HXBUDUIVMJPDTD-AOOOYVTPSA-N 345.299 4.392 0 40 EIAB O=C(OCc1cccc2ccccc12)c1cc(=O)c2ccccc2o1 3571147 IHMSWQOJSUPIIW-UHFFFAOYSA-N 330.339 4.303 0 40 EIAB C[C@@H]1CC[C@](C)(C(=O)CN(C)C(=S)Nc2ccccc2)C1(C)C 3846114 ZBKDFFSDJDPMJR-AUUYWEPGSA-N 332.513 4.347 0 40 EIAB biogenic COc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1OC 4070493 AOJFDCFSWRVIAL-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB CC(C)CNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146422 PXBICHOXCOCEFK-UHFFFAOYSA-N 347.871 4.031 0 40 EIAB COc1ccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)nn1 5259483 OLBMPECLLCETOW-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(F)cc3)ccc21 5374079 DXXYCMHAKIEVQP-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc(OC)c1 5681704 HQJUPWGRODKART-UHFFFAOYSA-N 331.799 4.028 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 5859344 MDKKGLJTOMSYOU-UHFFFAOYSA-N 347.361 4.058 0 40 EIAB CCOc1ccc2nc(NC(=O)Cc3ccc(C)c(C)c3)sc2c1 6270964 OAMNFIYTSDDIDR-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 7830848 BVGXZUVMBFJAPI-MVGZEHJDSA-N 349.459 4.093 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCCC2 7911665 IOQDBHVEPSBZLQ-UHFFFAOYSA-N 343.448 4.066 0 40 EIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1F)O[C@H](C)C2 8289124 WGTWIBKJJNQZSR-MMQHEFTJSA-N 341.382 4.200 0 40 EIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cccc(C)c1 8587055 SAEIXKHIYAXZFC-FQEVSTJZSA-N 333.435 4.076 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 10404764 PONIDXCMEWOAAG-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB Cc1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)ccc1F 10552341 KNMYAIWQNUGXNY-UHFFFAOYSA-N 340.442 4.050 0 40 EIAB CCN1C(=O)Cc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 10825562 YBBBAKPQRYHNJN-UHFFFAOYSA-N 330.387 4.001 0 40 EIAB CC(C)c1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 10937252 WAOMFWOYDHFTOB-INIZCTEOSA-N 326.371 4.014 0 40 EIAB Cc1ccc2cc(CNCCc3ccccc3Cl)c(=O)[nH]c2c1C 13998811 RXSDEJWZTOEEKY-UHFFFAOYSA-N 340.854 4.131 0 40 EIAB COCc1cccc(C(=O)Nc2ccc(C)cc2Br)c1 14014014 GPHMOFMLOSSQIA-UHFFFAOYSA-N 334.213 4.156 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1cccc2ccccc12 14217170 LIICPOHFTKCPSE-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14760161 ZANBLNRUVUOABN-HUUCEWRRSA-N 342.435 4.490 0 40 EIAB biogenic,in-vitro Cc1ccc(CNC(=O)Cc2scnc2-c2cccs2)cc1 15840245 CLPKPLRMZDJTKX-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB Cc1cccc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1C 16702013 IVXUZJSOKOICLU-UHFFFAOYSA-N 329.268 4.180 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 20041094 XAWZRIOFBPHQHD-CQSZACIVSA-N 343.423 4.233 0 40 EIAB C[C@H](Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1)c1ccccc1 22459550 OXCYMPDGNOVLQA-NSHDSACASA-N 336.420 4.153 0 40 EIAB O=C(c1occc1COc1ccccc1)N1CCc2sccc2C1 22598018 TVOQGTYINONDTA-UHFFFAOYSA-N 339.416 4.119 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc(OC)cc1 24595375 CSBHVQUUCIEKTP-RBUKOAKNSA-N 327.424 4.120 0 40 EIAB Cc1cc(NC(=O)CCCC(=O)c2cccs2)ccc1N(C)C 24818001 RBPRMPASPPCMDF-UHFFFAOYSA-N 330.453 4.114 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 25421127 ZNMHWYKYSJSLGU-MRXNPFEDSA-N 342.439 4.073 0 40 EIAB CC(C)c1noc(COC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 29142302 ZDJJBZKNKGSFJT-UHFFFAOYSA-N 346.383 4.418 0 40 EIAB CC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 31676033 JFZRNBUVGKVLGS-UHFFFAOYSA-N 328.755 4.172 0 40 EIAB Cc1ccsc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 35419396 YYPUBJYXOYHWJS-UHFFFAOYSA-N 328.389 4.137 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2cccs2)C1 40286849 IFRIBYIMGMBHDZ-JTQLQIEISA-N 331.347 4.336 0 40 EIAB CCCCn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12 40484779 HQEVAAQTYJNLLP-UHFFFAOYSA-N 335.382 4.255 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(Cl)cc1Cl 43174881 QGCQGROXUXRUNW-UHFFFAOYSA-N 328.199 4.262 0 40 EIAB Clc1cc(Cl)c2oc(-c3cccc(-n4cnnc4)c3)nc2c1 45920518 ZWUJMCJEPNBLQU-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB Cc1nnc(C2CCN(Cc3c(F)cccc3Cl)CC2)s1 49365811 XYQVSZWKWDZLSF-UHFFFAOYSA-N 325.840 4.019 0 40 EIAB CC(C)N1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1 57165612 BCOUABXHJBACOS-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB Cc1ccc(CN(C(=O)Cc2coc(-c3ccccc3)n2)C(C)C)o1 58231676 LVNXWSQWQBWUDP-UHFFFAOYSA-N 338.407 4.223 0 40 EIAB CC(C)(C)[C@H](NCC(=O)N1CCc2ccccc21)c1cccs1 58377460 YVEXUHRGFGKBHM-GOSISDBHSA-N 328.481 4.014 0 40 EIAB Cc1csc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)n1 61718547 JWCCYISKJDOTAX-UHFFFAOYSA-N 326.425 4.013 0 40 EIAB O=C(NCc1ccco1)c1sc(-n2cccc2)nc1-c1ccccc1 61718871 URFBAQNMTDQPJN-UHFFFAOYSA-N 349.415 4.124 0 40 EIAB CC(C)c1ccc(Cc2noc3nc4c(c(C(=O)O)c23)CCC4)cc1 62710686 IGJHROSJMHZNKP-UHFFFAOYSA-N 336.391 4.124 0 40 EIAB O=C(CCc1ccccc1F)N[C@@H](c1ccccc1)c1nccs1 65537778 YKJUIGJMPLWCBB-SFHVURJKSA-N 340.423 4.121 0 40 EIAB Cc1cc(C)c2nc(NC(=O)c3ncoc3[C@H]3CCCO3)sc2c1 70014349 GPWRFHNWUOVICB-LLVKDONJSA-N 343.408 4.005 0 40 EIAB COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C 71186562 GZYNUOMXGGSXMI-UHFFFAOYSA-N 332.425 4.038 0 40 EIAB c1cncc(-c2n[nH]cc2CNc2cc(C3CCCCCC3)n[nH]2)c1 84425215 GEDJXXDCQLKKLQ-UHFFFAOYSA-N 336.443 4.245 0 40 EIAB C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 95419571 GFRDZYHAKFQRGS-HRAATJIYSA-N 347.462 4.337 0 40 EIAB C[C@H]1C[C@@H](NCc2ccc(N3CCCC3)nc2)c2ccsc2S1 95420069 FFVVSJDKMOMUOY-XJKSGUPXSA-N 345.537 4.459 0 40 EIAB Fc1cccc([C@@H]2CN(Cc3ccccc3)[C@@H]3CCCCCN[C@@H]23)c1 95951724 QYXPFZBNKAUIMI-BDTNDASRSA-N 338.470 4.326 0 40 EIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1 107584691 XYRNPNFLVXPCSS-BNOWGMLFSA-N 345.468 4.078 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)cc1 113960161 OYPGXKKVBHOLPP-ROUUACIJSA-N 345.414 4.259 0 40 EIAB COC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 216848398 OBORPQGACBFUOR-UHFFFAOYSA-N 329.154 4.498 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CSCc2ccccc2F)c1 222705517 WCVSHJYVZFPXAG-UHFFFAOYSA-N 347.455 4.163 0 40 EIAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2)cc1C(C)C 223261503 VZMBEMGQQQCOPF-MRXNPFEDSA-N 341.451 4.383 0 40 EIAB Cc1cccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 223390748 DRFDKCURVYVKEF-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1C 223648628 SHTJGDGZFWHRDZ-ZDUSSCGKSA-N 335.806 4.293 0 40 EIAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(C)cc1 224128191 SVBIGNPYVJZCEB-UHFFFAOYSA-N 341.451 4.359 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224214195 LVUIWYAQASBULO-OAHLLOKOSA-N 339.435 4.288 0 40 EIAB CN(C)[C@H](C(=O)Nc1ccc2c3c(cccc13)CC2)c1ccccc1 225200651 ATVKCZHUBRWBBY-NRFANRHFSA-N 330.431 4.180 0 40 EIAB CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H](c1ccc(F)cc1)c1ccccn1 252486363 JKSOGEZRANEEKH-LCLWPZTBSA-N 338.426 4.205 0 40 EIAB Cc1coc(-c2ccc3c4c2C(=O)O[C@@H]4CCC3(C)C)c1C(=O)O 1772591119 HJMULBYFERPCOH-GFCCVEGCSA-N 326.348 4.236 0 40 EIAB CC(C)(C)C1CCC(OC[C@@H](O)CN2CCc3ccccc3C2)CC1 351992 BTENAPPNXJUXRF-KBWCOIMZSA-N 345.527 4.027 0 40 EIAB Cc1ccc(C(=O)[C@H](O)[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 1394791 QIAUEJSGCORVTR-RBBKRZOGSA-N 337.463 4.074 0 40 EIAB COc1ccccc1-c1nnc2sc(-c3cccc(Cl)c3)nn12 2338657 YVAXQFQMUNTIKV-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB CCN(C(=O)COC(=O)c1ccc(C(C)C)cc1)c1ccccc1 3224855 NIHYDMYXLMZTAL-UHFFFAOYSA-N 325.408 4.020 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1C 4120004 JRPIJWHEMZSVBO-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB O=C(/C=C/c1cccc(Br)c1)Nc1ccccc1[N+](=O)[O-] 4359362 WXXAQONFALSGJP-CMDGGOBGSA-N 347.168 4.009 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 4902235 OAZFFWFCUYKYTM-HXUWFJFHSA-N 338.451 4.473 0 40 EIAB Cc1ccc(C)c(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)c1 5206454 HBIIDODTLHASSB-UHFFFAOYSA-N 346.438 4.128 0 40 EIAB COc1ccccc1NC(=O)COc1ccccc1Cc1ccccc1 5558464 MTIRSIBFDOBQLU-UHFFFAOYSA-N 347.414 4.304 0 40 EIAB Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 6450672 IERZUODBGZXNQL-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1C1CC1 7886289 QKUWOGOLEUBRFD-INIZCTEOSA-N 343.224 4.178 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(Cl)c1 7972617 CVTBAWDYNXTFBQ-UHFFFAOYSA-N 343.185 4.192 0 40 EIAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 8327438 WVNOCKDZGMOKKP-AEFFLSMTSA-N 349.478 4.402 0 40 EIAB Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)oc1C 8333677 QLENYTLLQNVGTM-UHFFFAOYSA-N 331.224 4.329 0 40 EIAB Cc1cc(CSc2nc(C(F)(F)F)nc3ccccc23)no1 8777040 WNHSBDKWLCBDBX-UHFFFAOYSA-N 325.315 4.237 0 40 EIAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2NC1=O 9314585 KTGBMIWQLAQKRB-VIFPVBQESA-N 332.812 4.025 0 40 EIAB O=C(c1ccco1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254611 XWVGBBIAIRBKNS-UHFFFAOYSA-N 332.787 4.186 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(F)c1F 11370725 FCLRNEOARQXQBO-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB C[C@H](CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1)c1ccccc1 12128713 JRHKZMXWUDPRFR-JRGCBEDISA-N 331.463 4.396 0 40 EIAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCn2cccc2[C@@H]1C(C)C 12147489 SHMLMFDFUGPITR-FQEVSTJZSA-N 348.450 4.040 0 40 EIAB COc1ccc(CCN2Cc3cc4cc(C)ccc4nc3OC2=O)cc1 12236811 JJIFYTXYSVOTJN-UHFFFAOYSA-N 348.402 4.109 0 40 EIAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 12780259 JLRHRXMBQHEXMX-KUHUBIRLSA-N 327.424 4.472 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(O)c1 14245515 WYGAPUCVQDMWOD-UHFFFAOYSA-N 328.755 4.261 0 40 EIAB c1nc(Oc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 15520131 VRWLJFCMASTEES-UHFFFAOYSA-N 340.404 4.134 0 40 EIAB CCOC(=O)c1ccc(NC(=S)N(CC)c2ccccc2C)cc1 16238459 CKTUSMZECAXGBP-UHFFFAOYSA-N 342.464 4.395 0 40 EIAB O=C1Nc2ccc(-c3ccc(OCc4ccccc4)cc3)cc2C1=O 16947341 IODHVLXQDPZRSA-UHFFFAOYSA-N 329.355 4.067 0 40 EIAB CCn1c(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)nc2ccccc21 17746496 SICXNSGIJAQIBB-ZNMIVQPWSA-N 345.512 4.326 0 40 EIAB Cc1cccc(CCC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 19236094 NXLMPCPDKNBVIE-SCPDWHHUSA-N 348.490 4.411 0 40 EIAB Cc1ccc(SCCNC(=O)CCSc2ccccc2)cc1 20239019 WCJOKWFSEZZTDP-UHFFFAOYSA-N 331.506 4.386 0 40 EIAB COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2F)c1 22072830 GXSAFSFDPSIAOA-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB C[C@H](c1ccccc1)N(C)Cc1nc(O)c2ccc(Cl)cc2n1 23702006 PWLRTFIDPFEFPI-GFCCVEGCSA-N 327.815 4.182 0 40 EIAB CCOc1ccc(-c2cc(C(=O)N(CC)c3ccccc3)no2)cc1 27663694 QHVNMVPBSXUMJP-UHFFFAOYSA-N 336.391 4.407 0 40 EIAB Cc1nc(NC(=O)c2cc(-n3cccc3)ccc2Cl)sc1C 31812867 AYORJYGMUFANMV-UHFFFAOYSA-N 331.828 4.456 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc3ccccc3c2)c1 32754272 RHDNTUXVCZNDSH-UHFFFAOYSA-N 336.366 4.119 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36357029 QYWFONFRXLAMPX-CQSZACIVSA-N 343.452 4.266 0 40 EIAB CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832254 YNRFFQIQGWXJBD-QWHCGFSZSA-N 343.298 4.120 0 40 EIAB COc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38835095 ZQYKJOBQKQFKJQ-UHFFFAOYSA-N 338.451 4.324 0 40 EIAB C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nc3ccccc3o2)c1 41127617 YHXLRWARDBUPGC-OAHLLOKOSA-N 334.419 4.438 0 40 EIAB C[C@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(Cl)s1 44970064 DFQGXXDSNHSDMG-WCQYABFASA-N 335.860 4.404 0 40 EIAB Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc2ncccc12 46814926 ODPRBYFTWRVFIT-CVEARBPZSA-N 333.435 4.221 0 40 EIAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl 47375165 CYFLOZFKUGYCTF-UHFFFAOYSA-N 331.803 4.122 0 40 EIAB CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 48353726 LHQDRRCTBZXEDB-HGZMWJMZSA-N 349.409 4.497 0 40 EIAB C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@H](C(=O)O)C3 49601521 HITLMPHPGUZLGI-NWYRNHEKSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro COc1cccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)c1 54668261 RIJQVJWHQJTFKH-HXUWFJFHSA-N 349.430 4.447 0 40 EIAB O=C(c1cccc2cccnc12)N1CCC(COc2ccccc2)CC1 55424505 BJQRVFBUUJYQBM-UHFFFAOYSA-N 346.430 4.166 0 40 EIAB CC(C)CCO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 57994299 DFBGEYKROKLTDK-AWEZNQCLSA-N 334.460 4.061 0 40 EIAB O=C(C1CCC1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349333 KVVISLVRZWUPPK-LJQANCHMSA-N 334.463 4.179 0 40 EIAB Cc1ccsc1CN(C)C(=O)c1cccnc1SC(F)F 72699683 FUQARASHWUHVKQ-UHFFFAOYSA-N 328.409 4.038 0 40 EIAB CC[C@H](C)n1ncc(C(=O)OCc2ccc(Cl)nc2)c1C1CC1 89811482 PSBWWGWBCNJLKK-NSHDSACASA-N 333.819 4.137 0 40 EIAB CCc1ccc([C@@H](C)NC2CCN([C@H](C)c3ccncc3)CC2)o1 90667706 HFUDNXZUWOLPKJ-HZPDHXFCSA-N 327.472 4.113 0 40 EIAB CS[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 96411736 XAPCLFDEDXQCHI-ABAIWWIYSA-N 349.887 4.145 0 40 EIAB COc1ccccc1[C@@H](C)N[C@@H](C)c1noc(Cc2ccccc2)n1 96479182 FFFKGHPLURJLJJ-CABCVRRESA-N 337.423 4.081 0 40 EIAB CCc1nnc(CNc2ccccc2Nc2ccc(F)cc2F)n1C 96496819 DQMFHHLGIJHIPW-UHFFFAOYSA-N 343.381 4.011 0 40 EIAB C[C@H](NS(=O)(=O)c1ccccc1)[C@]12CC[C@@H]3CC[C@H](C[C@@H](C3)C1)C2 101279289 PCLLZZCHYLHGSS-IPLXSBJHSA-N 347.524 4.350 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1CC(=O)[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)OCCO4 118940643 LJKNOBNXTYYVSU-WDYSCTGBSA-N 332.484 4.341 0 40 EIAB C[C@H](NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cncc(F)c1 164996843 QNWGPYRIGBWJJF-IYOUNJFTSA-N 333.476 4.016 0 40 EIAB CCSc1ccccc1C(=O)NCC[C@@H](CCO)c1ccccc1 206625780 DUHCPXQDFWZPAA-KRWDZBQOSA-N 343.492 4.085 0 40 EIAB COc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1N 216851296 IOBIZJGOMIMDPI-UHFFFAOYSA-N 331.371 4.204 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1C(C)C 223788756 QAUMVDARPYGCLF-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)c1 224222757 RISRFELEGQLTMR-ROUUACIJSA-N 335.432 4.160 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cnc(Cc2ccccc2)nc1C 225793004 AFPPURKGJPYMSC-UHFFFAOYSA-N 331.419 4.245 0 40 EIAB CCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCC)c(C)c1 225907518 YNOUHIOWGCWRRG-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=NN2C(C)=O)c1 226817943 UELVOMNSVBXCBE-OAQYLSRUSA-N 336.435 4.345 0 40 EIAB CC(C)c1ccc(C(=O)[C@H](Br)CBr)cc1 394516970 MURAEQHSIVKHBF-LLVKDONJSA-N 334.051 4.151 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 409129358 GJKHBMSFNHWVMW-UHFFFAOYSA-N 343.448 4.293 0 40 EIAB COc1ccccc1OCc1ccc(C(=O)N2CCCCCC2)cc1 409179361 QQVNRVWHUWZSRD-UHFFFAOYSA-N 339.435 4.290 0 40 EIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 548117325 NJPZEOCQVWAUEJ-ACJLOTCBSA-N 325.456 4.056 0 40 EIAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3ccco3)o2)cc1 575608771 KNPJNZUQQKWWQL-UHFFFAOYSA-N 339.391 4.358 0 40 EIAB O=C(Nc1cnc(C2CC2)nc1)N1CC2(CCC2)[C@H]1c1ccccc1 645002850 XXJPKEXBIMLSPG-QGZVFWFLSA-N 334.423 4.113 0 40 EIAB Cc1cccc(Cl)c1C(=O)NC1CCC(O)(c2ccccc2)CC1 1521668914 IOFYGAFDHAHSDT-UHFFFAOYSA-N 343.854 4.209 0 40 EIAB O=C(NCc1cc(-c2ccco2)cs1)Nc1ccc2c(c1)OCO2 1775968951 PNTDLEMEUPWMAH-UHFFFAOYSA-N 342.376 4.059 0 40 EIAB O=C(Nc1scc2c1c(=O)oc1ccccc12)c1cccs1 131407 CARHGCLRURIFTL-UHFFFAOYSA-N 327.386 4.322 0 40 EIAB COc1ccc([C@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@@H]32)cc1 211649 OEQNJRVAURILHT-VQIMIIECSA-N 331.419 4.096 0 40 EIAB CCSc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 413645 DGZRRABFQWPWMT-UHFFFAOYSA-N 332.498 4.453 0 40 EIAB O=c1cc(-c2cccc(Br)c2)nc(-c2ccccc2F)o1 1248567 RHKVYYBHOFBVJM-UHFFFAOYSA-N 346.155 4.270 0 40 EIAB aggregator CCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21 1277941 UJATWJDXAKTIGP-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1C[C@H]1C 3237944 QCIJAURBVFWLQS-YPMHNXCESA-N 329.421 4.186 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SC2CCCCC2)c1C 3440897 USBNGFLZTLZBGJ-CYBMUJFWSA-N 337.485 4.445 0 40 EIAB Clc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1Cl 4938779 HXMUBYBLZHYKRI-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1 5308606 WKPZYEQNJNJAGA-UHFFFAOYSA-N 343.448 4.156 0 40 EIAB CCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cc(C)ccc3nc21 5478466 WNXNYDGJRRBRPY-UHFFFAOYSA-N 348.381 4.304 0 40 EIAB CC(C)CC[C@@H](C(N)=O)[C@@H]1NC2(CCCCC2)Cc2ccccc21 5832636 IEYQENFPCJVEIG-RTBURBONSA-N 328.500 4.114 0 40 EIAB Cc1ccc(NC(=O)COc2cccc3cccnc23)c(Cl)c1 6127964 MQGOPVHIIFFPDY-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB COc1ccc(C(=O)Sc2nccn2-c2ccc(Cl)cc2)cc1 6588629 ZEYWADPDZKWCIR-UHFFFAOYSA-N 344.823 4.467 0 40 EIAB CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 6871449 OEPHPGVCRCNTIT-UHFFFAOYSA-N 332.382 4.293 0 40 EIAB CCOc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 7011029 QHVRAFXKCKYDHP-UHFFFAOYSA-N 336.501 4.111 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCSc2ccccc21 7777937 LXWDNLBDRWBZCY-GOSISDBHSA-N 336.460 4.454 0 40 EIAB Cc1nc(COc2ccc(C(=O)Nc3ccccc3F)cc2)cs1 8071606 WUWUUQXOGPJDCD-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB COc1ccc(CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 8075326 AGIMNNNYPQSJQB-HNNXBMFYSA-N 349.430 4.277 0 40 EIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cnc2ccccc2n1 8313047 SWSUIPPQPDPBDU-GOSISDBHSA-N 337.810 4.164 0 40 EIAB COc1ccc(Oc2ccc(NCc3ccc(C(=O)O)o3)cc2)cc1 8702228 VXALMWITSNRMQE-UHFFFAOYSA-N 339.347 4.391 0 40 EIAB Cc1cccc(Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)c1 9926718 ITASHPIIWWMGFL-UHFFFAOYSA-N 348.446 4.025 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)ns1 12111637 GTWGTGMTEOKWKI-UHFFFAOYSA-N 347.802 4.179 0 40 EIAB COc1ccc(C2(NCc3[nH]nnc3-c3ccccc3)CCCC2)cc1 12147633 GFHIZNXSZLFGMZ-UHFFFAOYSA-N 348.450 4.039 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)[C@@H]1Cc2ccccc2O1 12527737 CMCBDHSYERSKDG-FQEVSTJZSA-N 336.435 4.009 0 40 EIAB O=C(NC1CCCCC1)c1ccccc1SCc1cscn1 12869811 QLCZISHGUGCSKD-UHFFFAOYSA-N 332.494 4.498 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccc(Br)c1)c1cccs1 12919711 SVZOIVQZFRHOKO-WSKFYRRCSA-N 336.254 4.401 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1C 14399065 XUWMQRNPQGDBTD-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)/C=C/c3cccs3)o2)cs1 16297970 SDKMNHFGSNIPGR-FNORWQNLSA-N 330.434 4.103 0 40 EIAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)s1 19213806 RDHXVVOTKZKSLU-KRWDZBQOSA-N 328.481 4.283 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 20110704 NWFMPXXUMONKLY-AWEZNQCLSA-N 347.842 4.211 0 40 EIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)cc1 20138233 BJTOJUUFRVYJNP-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 20456458 KDOWHFQXDPLQBO-CQSZACIVSA-N 337.872 4.137 0 40 EIAB CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)cc1 21836792 PFDYZTPLJGDIMS-HXUWFJFHSA-N 341.451 4.430 0 40 EIAB O=C(c1cc(C2CC2)on1)N(Cc1ccco1)Cc1cccs1 24462420 ZIXQDKGAPRABBT-UHFFFAOYSA-N 328.393 4.049 0 40 EIAB C[C@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1cc2ccccc2o1 25410418 SQQDNUAZRAQYGL-JKSUJKDBSA-N 348.446 4.057 0 40 EIAB Cc1ccc(-c2nc(CN3CCO[C@@H](c4ccccc4)C3)cs2)o1 29718901 TXPHMKKRSCXVGE-GOSISDBHSA-N 340.448 4.285 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@@H]1COc2ccccc2C1=O 35316500 GISZHYLEXPIQKP-JKSUJKDBSA-N 345.439 4.058 0 40 EIAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 35818589 WSKFYRUSPKZSRW-UHFFFAOYSA-N 326.415 4.310 0 40 EIAB CC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)C12CC3CC(CC(C3)C1)C2 36613842 QSTCZPNAWCZGET-TXTVKVCSSA-N 327.472 4.012 0 40 EIAB COc1ccc(C2(CNC(=O)NCc3ccccc3)CCCC2)cc1 38489708 IFQYKMQAUWKFEC-UHFFFAOYSA-N 338.451 4.006 0 40 EIAB CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 40146182 COVQRQYKVLFGSW-PIGZYNQJSA-N 343.377 4.358 0 40 EIAB CN(Cc1cccc(C(F)(F)F)c1)Cc1noc(C(C)(C)C)n1 40153628 KWAQYGXWIDTLTN-UHFFFAOYSA-N 327.350 4.018 0 40 EIAB Brc1cc(-c2ccccc2)ccc1OCC1CCNCC1 42774751 ILEXBPMFOJBPJO-UHFFFAOYSA-N 346.268 4.495 0 40 EIAB Cc1cccn2c(NC(=O)COC3CCCC3)c(-c3ccccc3)nc12 44336567 CCHFUIXCZNVUGU-UHFFFAOYSA-N 349.434 4.207 0 40 EIAB C[C@H]1CCCCN1C(=O)NCc1cccnc1Oc1cccc(F)c1 45999466 BFLIUFWTRPARMJ-AWEZNQCLSA-N 343.402 4.097 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N(C)CCCc2ccccc2)s1 46639553 GUVGQAWJRFKRQX-UHFFFAOYSA-N 329.465 4.111 0 40 EIAB COCc1ccccc1NC(=O)N(Cc1ccccc1OC)C1CC1 47521159 UACUHOZNWKZEJQ-UHFFFAOYSA-N 340.423 4.038 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccc[nH]3)s2)o1 48326104 GBKFFCROWOGMAQ-AWEZNQCLSA-N 341.436 4.325 0 40 EIAB COc1ccc(OC)c(-c2csc(Nc3ccc(F)cn3)n2)c1 49006111 LSYNGSVEPBREKG-UHFFFAOYSA-N 331.372 4.105 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCCCC[C@@H]1c1ccncc1 49764933 UXOVRRGRJJDKIX-XUVXKRRUSA-N 338.426 4.468 0 40 EIAB CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1C(F)(F)F 58342407 YPQSGBVFMQYXEA-UHFFFAOYSA-N 348.328 4.246 0 40 EIAB CC(C)(C)c1cc(NC(=O)CNc2ccc3c4c(cccc24)CC3)on1 69371642 WXEGILLGADYWIX-UHFFFAOYSA-N 349.434 4.275 0 40 EIAB CCOC(=O)c1ccc(N[C@H]2CC(C)(C)Cc3oc(C)cc32)nc1 71811072 QJJORLHCVBAXTQ-HNNXBMFYSA-N 328.412 4.285 0 40 EIAB CCOC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 71873558 NRKPHHJMRUOKKH-UHFFFAOYSA-N 338.329 4.010 0 40 EIAB C[C@@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccs1 78089342 VBYOVZBABQIPBM-IAQYHMDHSA-N 341.436 4.218 0 40 EIAB Cc1nc(C)c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)o1 84061271 CGTUFNAONQLGKO-UHFFFAOYSA-N 330.403 4.058 0 40 EIAB CCOC(=O)N(C)c1ccc(NCc2csc(C3CC3)n2)cc1 95428589 ATLUDXGOVPKCKF-UHFFFAOYSA-N 331.441 4.225 0 40 EIAB CN(Cc1csc(-c2cccc(Br)c2)n1)CC(F)F 95947878 ZGMJCBGTZNXURN-UHFFFAOYSA-N 347.228 4.270 0 40 EIAB CCSc1ccccc1C(=O)NC[C@@H](OC)c1ccc(C)s1 96104705 ZJHRRTAFCLMQGN-CQSZACIVSA-N 335.494 4.286 0 40 EIAB CCc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104766163 KVAXIYYNHQZBGV-MRXNPFEDSA-N 348.398 4.413 0 40 EIAB O=C(CCc1cccs1)N(Cc1ccsc1)c1cccnc1 193505733 ROUDTOJTAHTFQF-UHFFFAOYSA-N 328.462 4.371 0 40 EIAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 216263158 KTZZCTMRLQHWFA-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222720583 DVJNRHTUHIYAFY-ZDUSSCGKSA-N 343.448 4.061 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cccc1F 223436280 FLUGGODLBPVDCA-UHFFFAOYSA-N 349.811 4.141 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2ccccc2Cl)cc1 223440630 TZTYJFPRRQYAMS-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB COc1ccccc1NC(=O)NCCOc1ccccc1C(C)(C)C 223742744 KSOQNBSNPNRLEH-UHFFFAOYSA-N 342.439 4.193 0 40 EIAB O=C(CCSCc1ccccc1)NCCOc1ccccc1Cl 224277500 CQWRFZIGDPCHJF-UHFFFAOYSA-N 349.883 4.159 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(COC)c1 224472450 CEPGMAAJDIUZGL-SFHVURJKSA-N 327.424 4.246 0 40 EIAB CCOc1ccccc1C[C@H](Oc1cc(C)cc(C)c1C)C(=O)O 225105085 CRCKWTBYKBNOKZ-IBGZPJMESA-N 328.408 4.085 0 40 EIAB COc1cccc(NC(=O)NCCSCc2ccccc2C)c1 225760043 NEHPSRIYGJCLEK-UHFFFAOYSA-N 330.453 4.059 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Nc1cccc(OC)c1 225763149 IWNIEIIEWVDYOR-UHFFFAOYSA-N 342.439 4.238 0 40 EIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 225788727 YWSYPWJPJPGJQW-INIZCTEOSA-N 328.481 4.366 0 40 EIAB COc1ccc(Cc2cnc([C@H]3CCCN3Cc3cccnc3)o2)cc1 257317273 VJBZGGAQKLZDOG-HXUWFJFHSA-N 349.434 4.006 0 40 EIAB COc1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1F 390830997 OXUPWPBJAVFQDM-UHFFFAOYSA-N 325.339 4.024 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccoc2)cs1 1775969799 LLTBPWKUFYLQCW-ZDUSSCGKSA-N 327.405 4.092 0 40 EIAB O=C(Nc1cc(Br)cnc1Cl)c1ccc(Cl)cc1 166784 RYGXHLFLXXUSJH-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB COc1ccc(-c2csc(N(C)C(=O)c3ccc(C)cc3)n2)cc1 418978 LSWGAXJVQQCEKZ-UHFFFAOYSA-N 338.432 4.404 0 40 EIAB c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 522176 CAHGAIITDRJNTB-UHFFFAOYSA-N 326.359 4.288 0 40 EIAB CC(C)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 1617114 IRXIJDMXOMQVBU-UHFFFAOYSA-N 338.432 4.170 0 40 EIAB CCCCN1C(=O)[C@@](Cl)(Cc2ccccc2)C(=O)c2ccccc21 2145176 MBKPWPHUWSIVGA-HXUWFJFHSA-N 341.838 4.236 0 40 EIAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 2616453 IYXBRGJJBQEPRQ-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB CSc1ccc(CN2CCC(N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 2734447 JAJAPLOTFAAULU-IRXDYDNUSA-N 332.557 4.351 0 40 EIAB O=C(NCc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 2737556 LJIVMWCHLYJJQI-UHFFFAOYSA-N 333.362 4.380 0 40 EIAB O=c1[nH]c2ccccc2n1CCCSc1cccc2cccnc12 4393410 WOFAQMZEELHQOV-UHFFFAOYSA-N 335.432 4.060 0 40 EIAB COc1cccc(CNc2ncc(-c3cccc(Cl)c3)n2C)c1 4678294 JJAIVZJTERIQCY-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB O=C(Nc1ccccn1)c1ccccc1C(=O)c1ccc(Cl)cc1 5338245 WFOKCNOVOZBBJQ-UHFFFAOYSA-N 336.778 4.218 0 40 EIAB CCCCc1ccc(/N=c2\sc(C)c(OC(C)=O)n2C(C)=O)cc1 5375755 ZEGWSLILFIFPLF-HNENSFHCSA-N 346.452 4.018 0 40 EIAB CC(C)COc1cccc(OCC(=O)Nc2ccccc2Cl)c1 5384313 FEXSJXRXGXESRK-UHFFFAOYSA-N 333.815 4.392 0 40 EIAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C1CCCCC1 5904071 UPQBRVSSWSXHAL-UHFFFAOYSA-N 340.467 4.155 0 40 EIAB CC(C)CCC[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl 6627732 ZVONHDMJJYONDM-LLVKDONJSA-N 338.300 4.487 0 40 EIAB COc1ccccc1C1=NN=C(Nc2cccc(Cl)c2)SC1 6637508 BSCNGXKFPWFDRW-UHFFFAOYSA-N 331.828 4.268 0 40 EIAB CCOc1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 7057449 HUYDSVXWAOOFDH-VAWYXSNFSA-N 337.828 4.151 0 40 EIAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2)c1 7061267 UWMMGEIDNIQCEV-HNNXBMFYSA-N 337.448 4.300 0 40 EIAB COc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 7820562 JSOSUMHDEOQNNQ-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB CC(=O)Nc1nc(-c2cc(C)n(CCc3ccccc3)c2C)cs1 7988360 CCTOLVPUGDJUDX-UHFFFAOYSA-N 339.464 4.430 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1OCC 8031504 BAUTZEMZUTXZGJ-INIZCTEOSA-N 341.451 4.212 0 40 EIAB COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc(Cl)c1OC 9516287 TXLNOZCNWDAHDY-DOMZBBRYSA-N 337.847 4.152 0 40 EIAB COc1ccc(C)cc1CN(C)C(=O)Nc1nc2ccccc2s1 9977622 PYZBCNKMEOGDPK-UHFFFAOYSA-N 341.436 4.277 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1ccc(OC(F)F)cc1 12508930 OSYMMNXJPAXPTP-UHFFFAOYSA-N 344.361 4.063 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1 12755477 QUZYEVKCVHSBIM-SFHVURJKSA-N 335.407 4.082 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C 12931584 QRKGVFFGJPGBNG-CYBMUJFWSA-N 342.464 4.204 0 40 EIAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccccc1Cl 12972005 JTKJEKUNXUJRQY-CYBMUJFWSA-N 341.885 4.100 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccccc3Cl)cc12 12972343 NJQYLBXCAMPNRT-SECBINFHSA-N 333.844 4.088 0 40 EIAB CC(C)c1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1 13721017 TXZKTVMVHPJCGC-UHFFFAOYSA-N 325.343 4.251 0 40 EIAB CC(C)c1ccc(/C=C/C(=O)NC(=S)NCc2ccccc2)cc1 14257721 LZCUGJSLUUFLDG-JLHYYAGUSA-N 338.476 4.014 0 40 EIAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@H](C)Cc1ccc2c(c1)OCO2 14860239 QEFJURUMSHPMTC-OKILXGFUSA-N 326.392 4.201 0 40 EIAB biogenic,in-vitro CC[C@H](CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1 15543296 KOTGHDZNXULCPJ-MRXNPFEDSA-N 341.451 4.406 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nsnc3c2)c1 15841302 PEQZBNPCWOJISA-UHFFFAOYSA-N 341.436 4.141 0 40 EIAB Cc1c(CN2CCn3cccc3[C@@H]2C(C)C)cnn1Cc1ccccc1 19554539 GAECTOKSTGYTDA-QFIPXVFZSA-N 348.494 4.254 0 40 EIAB COc1ccc(CCNCc2ccc(-c3ccc(F)cc3)o2)cc1 19872551 PWNFWOFDMBCUKX-UHFFFAOYSA-N 325.383 4.427 0 40 EIAB COc1ccc(-c2nnc(CSc3ccccc3)o2)cc1OC 19929530 VECIMXXXHAHCDV-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccccc1 20108467 IMFRFEVFQDYSMF-RBUKOAKNSA-N 327.424 4.120 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(F)cc1 20138210 JFMJOTSJBIOPFH-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 20892392 KWGCWEZZHKMCCE-MRXNPFEDSA-N 332.444 4.438 0 40 EIAB CCCOC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 23192244 CYCQEMZTVMCUJY-UHFFFAOYSA-N 335.450 4.046 0 40 EIAB Cc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 24864923 YYSXDSTYYJEURE-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 27741252 UGKNKMKDOLJJDF-HXUWFJFHSA-N 330.516 4.465 0 40 EIAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1F 32095722 RHEBDEZHWXCIFQ-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB Cc1[nH]ncc1CCCNc1nc(-c2ccccc2)nc2ccccc12 32909009 LPLUDVGUSDOSAB-UHFFFAOYSA-N 343.434 4.373 0 40 EIAB Cc1cccc(C(=O)NCc2cccc(OCc3ccccn3)c2)c1C 32930608 SOTIQGQJNIYQQI-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB Cc1ccc2nc(C3CCN(C(=O)Nc4ccccc4)CC3)[nH]c2c1 35291856 CORPIWARHPDORR-UHFFFAOYSA-N 334.423 4.283 0 40 EIAB Cc1cc(C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c(C)o1 43939706 QEVBFYDMDLNTTJ-UHFFFAOYSA-N 339.420 4.118 0 40 EIAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 49467020 DERCLBUIRKNIEZ-IBGZPJMESA-N 349.430 4.214 0 40 EIAB CC(C)N(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 58023357 SKSVJXIVWWXCBN-HXUWFJFHSA-N 340.442 4.404 0 40 EIAB C[C@H](c1ccccn1)N(C(=O)c1ccc(Cn2cccc2)cc1)C1CC1 69374782 MUTCGHARHTZWCJ-QGZVFWFLSA-N 345.446 4.297 0 40 EIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N(C)c1ccccc1 72222299 WRICLKPATSBKFA-UHFFFAOYSA-N 327.428 4.183 0 40 EIAB CCOc1cc(CNc2ccccc2)cc(Br)c1OC 75826019 WNMVUPFBGBMUDD-UHFFFAOYSA-N 336.229 4.469 0 40 EIAB Cc1nc(C)c(C)c(Sc2nnc(-c3ccccc3Cl)o2)n1 76093071 HNDNEWGHYDHSQG-UHFFFAOYSA-N 332.816 4.256 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c3ncccc23)cc1 83943879 JKQGRMRZBPRLLU-LJQANCHMSA-N 349.434 4.329 0 40 EIAB O=C1CCCN1c1ccc(NCCOc2ccc3ccccc3c2)cc1 84605991 RUCDDFPAARNFDK-UHFFFAOYSA-N 346.430 4.458 0 40 EIAB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 84651627 PEHSZQSXMONZJG-IZHWHUGBSA-N 348.512 4.017 0 40 EIAB Cc1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc1F 89644336 VNPTWWHUCCMVLH-LBPRGKRZSA-N 331.372 4.159 0 40 EIAB COc1cc(OC(F)(F)F)c(Br)cc1Br 91251988 MNJSXTGIUDEJSM-UHFFFAOYSA-N 349.928 4.119 0 40 EIAB COc1ccc([C@H](C)N[C@@H](C)Cc2ccc(C)s2)cc1NC(C)=O 95422778 BJBPOYBBUPDQGU-JSGCOSHPSA-N 346.496 4.305 0 40 EIAB CC(C)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 95426713 AUGQFYSOVKYHGT-UHFFFAOYSA-N 325.231 4.167 0 40 EIAB O[C@@H](c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F 96190520 LDGHXLCGMFWEIP-KRWDZBQOSA-N 333.309 4.410 0 40 EIAB C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 96483245 NFLRBCTZAOGMHB-UONOGXRCSA-N 336.501 4.202 0 40 EIAB CCn1ccnc1CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 97227729 NZYPNFLLQJYDAX-LJQANCHMSA-N 341.842 4.250 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]1C2 100768212 HYKBGASCLFWFJV-BZNIZROVSA-N 325.330 4.039 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2cccc(Cl)c2)c1 222765008 ZLFZLIQCNFUXRF-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223609419 URYQOTJAEKAWRD-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CSc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 223886867 DHMVWKQNSHZYTJ-SSDOTTSWSA-N 345.902 4.033 0 40 EIAB Cc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nc2)o1 223907789 LMZCZWJQGPELHK-UHFFFAOYSA-N 339.420 4.262 0 40 EIAB CC[C@@H](NC(=O)c1cc(C)ccc1C)c1ccc(OC)c(OC)c1 223912413 HTAYYHAPHJOKIN-QGZVFWFLSA-N 327.424 4.202 0 40 EIAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(SC)cc1 224980902 GFJPEXPKUCVMTK-UHFFFAOYSA-N 335.494 4.241 0 40 EIAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225074080 ZZPQYWQDCJLQQA-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB O=C(Cc1ccccc1F)NCCSCc1cccc(Cl)c1 225444556 XDLYVBGFDHKQTB-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225763477 VVYQQIAMCOVFHA-KRWDZBQOSA-N 340.423 4.428 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(F)c3)nc2c1 226270349 ILQQKWWKDFRQCG-UHFFFAOYSA-N 338.260 4.159 0 40 EIAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(C)C2=O)cc1 408812288 MOKZZRLKZPHIIP-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OCC 409121124 WEXQBLSFFLNXHI-LGMDPLHJSA-N 337.419 4.391 0 40 EIAB Cc1ccccc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 564495537 IJSFZOFWJUVDQH-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CCc1noc(C)c1NC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 570207472 LAXHLDMSILPFGK-IBGZPJMESA-N 345.418 4.314 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)Cc1ccc(F)cc1 575620352 KDJISBWZMYPMNX-CYBMUJFWSA-N 327.424 4.330 0 40 EIAB FC(F)(F)c1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1 39124 QZSKKNJAWCUOIL-UHFFFAOYSA-N 331.219 4.434 0 40 EIAB Cc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)O1 177990 RJOHMKPSAAIJCX-XNTDXEJSSA-N 342.192 4.102 0 40 EIAB O=C(c1ccco1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 327996 TVDDOTZGRWXHLJ-AWEZNQCLSA-N 327.327 4.186 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 479889 AQLXOJHSVIIDPD-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1OC 573392 ACPOCPMWANWVAJ-RIYZIHGNSA-N 329.783 4.240 0 40 EIAB O=C(Nc1cc(Cl)ccn1)[C@]1(c2ccccc2)CC1(Cl)Cl 2206444 ACXBEPYLGCXLKV-CQSZACIVSA-N 341.625 4.189 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nnc(C2CC2)s1 3282335 MVTSBOWUGRFHFI-GQCTYLIASA-N 340.235 4.374 0 40 EIAB O=C(COC(=O)C1CCCCC1)Nc1ccc(Cl)cc1Cl 3313944 SNKPFZSUKGEKQS-UHFFFAOYSA-N 330.211 4.055 0 40 EIAB O=C(NCc1ccco1)c1ccc(COc2ccc(Cl)cc2)cc1 3335622 NERJLPHYRFFSAQ-UHFFFAOYSA-N 341.794 4.442 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1 3902267 AIMFRLWREXMCRP-NTCAYCPXSA-N 340.382 4.262 0 40 EIAB CC(C)CCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4691560 FDTAJSURPXFTJV-MRXNPFEDSA-N 332.488 4.327 0 40 EIAB Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 4784123 WREUANMFFNQUFF-UHFFFAOYSA-N 326.396 4.434 0 40 EIAB CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 5235872 UFHOPBRMYVQDNJ-UHFFFAOYSA-N 349.478 4.061 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nc2ccccc2o1 5628763 ICUYXTJHZTXYRJ-QWHCGFSZSA-N 338.432 4.286 0 40 EIAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)o1 6462900 YXMHWROBYBBKEL-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB Cc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccn1 6608419 UNKMYWPPIBDTKP-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccc(F)cc4)nc3c12 6759872 BCLJRMYEIUPVKN-UHFFFAOYSA-N 337.402 4.158 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccccc1Cl 7535625 RQXVHXQKBIJJEI-UHFFFAOYSA-N 345.826 4.188 0 40 EIAB COCCNC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 7560948 OSQPLJZDCVVLCR-UHFFFAOYSA-N 344.524 4.087 0 40 EIAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 8281758 MZJSMGQGGUAZKN-UHFFFAOYSA-N 336.825 4.427 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 8762552 OHNQBPXTWIHZKK-AWEZNQCLSA-N 334.419 4.378 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccc(O)cc1 9423760 AHRGUEITLCDDCV-IBGZPJMESA-N 334.350 4.302 0 40 EIAB CC(C)c1cccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11266153 DBAGKECTDQAVFI-LJQANCHMSA-N 326.415 4.381 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(O)nc2ccccc12 11571395 GQQNXUQSSVXUDO-UHFFFAOYSA-N 347.418 4.101 0 40 EIAB Cn1nccc1C(=O)Nc1sccc1-c1nc2ccccc2s1 11695090 AFFODMMMFSLEDF-UHFFFAOYSA-N 340.433 4.011 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1CC(F)(F)F 12543545 WTQHODFJYOGBLG-AWEZNQCLSA-N 342.267 4.094 0 40 EIAB CC(C)[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 12974134 WFHCRXIWRFSFNO-GOSISDBHSA-N 336.439 4.139 0 40 EIAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 14421734 OBFZHBHHLKTKPT-GOSISDBHSA-N 325.408 4.384 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1Cl 19933865 PGGYOXJTKUSASG-SFHVURJKSA-N 349.833 4.386 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1C 20046447 QGOGVVILIUDHIW-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 20457186 BSKDRSPPPKDTFL-QGZVFWFLSA-N 327.424 4.498 0 40 EIAB CCc1cc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)sc1C 21322130 JHKWETNCUHDVFG-UHFFFAOYSA-N 344.480 4.353 0 40 EIAB Cc1ccc(NC(=O)c2cccnc2NCCc2ccccc2)cc1 22053799 BMZAYFSPMIVRJM-UHFFFAOYSA-N 331.419 4.297 0 40 EIAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccs1 23785884 TXHZUKLLMTYOHK-SNVBAGLBSA-N 337.828 4.054 0 40 EIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(F)cc1Cl 26298941 QKHPNOVNUYCGTI-ZDUSSCGKSA-N 344.821 4.253 0 40 EIAB O=C(CCn1cc(Cl)cn1)Nc1ccccc1Cc1ccccc1 27968996 LWWBFPIHQVWJKD-UHFFFAOYSA-N 339.826 4.156 0 40 EIAB Cc1ncc(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)o1 29859639 APQBYJJVJBYDHI-UHFFFAOYSA-N 331.375 4.313 0 40 EIAB O=C(Nc1ccc(O)cc1)c1cc(-c2ccncc2)nc2ccccc12 31818846 WCIGUBCPFACUEC-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 32610154 AMBMDSMTYLJIPN-VIFPVBQESA-N 338.190 4.213 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Cl 32760205 CSDJAUWPGTWETI-UHFFFAOYSA-N 345.761 4.171 0 40 EIAB C[C@@]12Cc3cn[nH]c3C=C1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 33655287 OIIHTRLQCQVVQC-MKIZIQLTSA-N 326.484 4.343 0 40 EIAB CC(C)c1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 33689717 DCFYSSBBPROJKG-UHFFFAOYSA-N 346.239 4.231 0 40 EIAB Cc1ccccc1NC1(c2nnnn2-c2ccccc2C)CCCC1 35622090 RZQUIMJRDVCLKY-UHFFFAOYSA-N 333.439 4.161 0 40 EIAB CC(C)N(Cc1cnn(C)c1)C(=O)c1sc2ccccc2c1Cl 40157039 FWOBMRVPTMXTTK-UHFFFAOYSA-N 347.871 4.339 0 40 EIAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C)cs2)c1C 40159256 BBAXZJHGHZIXPX-GFCCVEGCSA-N 338.498 4.052 0 40 EIAB Brc1ccc(OC[C@H]2CCNC2)c(-c2ccccc2)c1 42770699 YGMQODUKWVNZRQ-ZDUSSCGKSA-N 332.241 4.104 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 47327920 UZLIZKNZUDRRGO-UHFFFAOYSA-N 343.324 4.357 0 40 EIAB CCC(CC)[C@@H](CNC(=O)Nc1ccccc1SC)N1CCCC1 48253489 ANLQAMIBTIPKBA-QGZVFWFLSA-N 349.544 4.431 0 40 EIAB O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 52659589 QQTOMCCJDITTOP-INIZCTEOSA-N 337.448 4.343 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCC[C@@H]1CC1CCCCC1 60992210 PNAHIPGIRDHQFD-RDTXWAMCSA-N 346.519 4.242 0 40 EIAB COc1ccc(Cl)c2c(Nc3ccc(C(=O)O)cc3)ccnc12 64874717 URVQRSRRGVAYMK-UHFFFAOYSA-N 328.755 4.339 0 40 EIAB CC(C)N(Cc1cccnc1)C(=O)c1cnc(-c2cccs2)s1 65615134 ADZUXSNCFUGWLV-UHFFFAOYSA-N 343.477 4.317 0 40 EIAB CC1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc23)CC1 67263296 JQWHNIYONQASSU-UHFFFAOYSA-N 343.434 4.181 0 40 EIAB CC(C)(C)c1cnc(CN2CCC(C(=O)c3ccccc3)CC2)o1 69375331 BKIOADUYVUIKDC-UHFFFAOYSA-N 326.440 4.067 0 40 EIAB CCCn1nc(C)cc1NC(=O)c1cc(OC(C)C)c2ccoc2c1 71195350 BGPXKASBDCBOAG-UHFFFAOYSA-N 341.411 4.387 0 40 EIAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cs2)o1 71843908 FQJADZHOEKPQRK-JTQLQIEISA-N 344.358 4.126 0 40 EIAB c1ccc2c(CNCc3ccc(Cn4cccn4)cc3)csc2c1 71881754 XVMQVHVYOXCQIU-UHFFFAOYSA-N 333.460 4.436 0 40 EIAB O=C(O)C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)C1 71978960 VTOIIYBPIUXNPX-OAHLLOKOSA-N 335.190 4.385 0 40 EIAB Oc1nc(C2CCN(Cc3ccc(F)cc3)CC2)cc2ccccc12 72360991 YHNLOPDAFIEJMB-UHFFFAOYSA-N 336.410 4.459 0 40 EIAB C[S@@](=O)Cc1ccc(Cl)c(NCc2ncc(C(C)(C)C)o2)c1 85277734 DABCPJYCBCRFSU-QFIPXVFZSA-N 340.876 4.116 0 40 EIAB CC[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1c(C)nn(C)c1C 86425598 FRSIQIJMDMNPPH-BBRMVZONSA-N 344.459 4.016 0 40 EIAB Cc1cc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)ccc1F 89645529 AIRYOBJPGDGQQD-GFCCVEGCSA-N 331.372 4.159 0 40 EIAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2[nH]cnc2c1 90610286 PRHSTYGCADPFAA-UHFFFAOYSA-N 339.704 4.487 0 40 EIAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 96402361 TUZPIPCWFHOHPZ-ROUUACIJSA-N 345.446 4.073 0 40 EIAB C[C@H](NC1(CN[C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 97009617 WHGOYLYBXBVTMZ-WSTZPKSXSA-N 330.516 4.055 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 103074915 IFRSYECQIYCSLQ-FMCLSXCISA-N 342.266 4.313 0 40 EIAB CC(C)c1ccc(-c2noc(C[S@](=O)c3ccccc3)n2)cc1 107935286 OCLKHJVXTKGFSC-HSZRJFAPSA-N 326.421 4.168 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CCCc2ccccc21 113950868 SXMVFWSPBPSMIQ-VQTJNVASSA-N 339.435 4.046 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(CO)c2ccccc21 216922406 DFLRGQUKICNUSM-UHFFFAOYSA-N 343.810 4.285 0 40 EIAB Cc1ccc(NC(=S)Nc2nnc(SCC(C)C)s2)cc1 225456763 QQRFXTGQSHJGHC-UHFFFAOYSA-N 338.527 4.404 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccc3c(c2)CCCC3)cc1 225632306 UCCHKWHYUUOINH-UHFFFAOYSA-N 337.463 4.327 0 40 EIAB CSc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 226036980 GWGLPCBRYZIAMW-UHFFFAOYSA-N 325.389 4.076 0 40 EIAB O=C(O)C1(c2ccccc2)CCN(Cc2cccc3ccccc23)CC1 408546236 CZFAQTZMEOOWPR-UHFFFAOYSA-N 345.442 4.458 0 40 EIAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 409018805 ZIMQMATVAFZPHJ-JASJWYONSA-N 344.411 4.451 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1cc(-c2ccccc2)cnc1C 534931005 ANXFASXPKDHTPY-UHFFFAOYSA-N 348.402 4.327 0 40 EIAB Cc1cccc(C)c1Oc1ccc(I)cn1 685937512 HUZKCYJBMNPEOC-UHFFFAOYSA-N 325.149 4.095 0 40 EIAB COc1c(S(=O)(=O)Nc2ccc(C)cc2)ccc(Cl)c1Cl 1615546852 PMECVTBTQUMYPN-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB O=C(C[C@H](SC1CCCCC1)C(=O)O)c1ccc(Cl)cc1 122070 XEMPCCOMITUYOD-HNNXBMFYSA-N 326.845 4.432 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 190949 VDVLOMWCEXXWBQ-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1 193208 CCAMVDXXQMBIMK-UHFFFAOYSA-N 341.476 4.436 0 40 EIAB OCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 2365367 WHNXQKIPNNLBQD-UHFFFAOYSA-N 341.838 4.154 0 40 EIAB O=C(CSc1ccc(Br)cc1)NC1CCCCCC1 3221696 MHPRVMQRMHVXEG-UHFFFAOYSA-N 342.302 4.380 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 3352818 YVNLRMFVYWBKMF-LBPRGKRZSA-N 348.830 4.186 0 40 EIAB Cc1cc(SCC(=O)N2CCCC[C@@H]2C)nc2c(C)cccc12 3381855 NLHVGPCZYZXPMN-HNNXBMFYSA-N 328.481 4.345 0 40 EIAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1 3417308 VHMYIAKACMDGPH-GQCTYLIASA-N 332.331 4.333 0 40 EIAB Brc1ccc(CSc2nncn2-c2ccccc2)cc1 3452886 TWLKTWRICKOASC-UHFFFAOYSA-N 346.253 4.322 0 40 EIAB Cc1ccc([C@@H](CCNCCCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 5348426 DJFIHPNECOPQER-LEWJYISDSA-N 346.559 4.215 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 5516957 JANWNSWXECRJEJ-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB CCc1sc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1C 6473689 WVTBLNQPOIVDGJ-UHFFFAOYSA-N 329.450 4.390 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 7830850 BVGXZUVMBFJAPI-KIUWMYQTSA-N 349.459 4.093 0 40 EIAB CCOCc1c(C(=O)OCCOc2ccccc2)oc2ccccc12 7990573 LRIPRJZTOYPZFZ-UHFFFAOYSA-N 340.375 4.205 0 40 EIAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(F)c1 9141338 QQYLLPPTIDXVCL-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1Cl 10402862 CKHUXYJXRSLJBM-JTQLQIEISA-N 349.221 4.357 0 40 EIAB C[C@@H](NC(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1ccco1 10845020 IHEOCUCLPWRSEP-LLVKDONJSA-N 346.383 4.043 0 40 EIAB CC(C)c1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11266149 DBAGKECTDQAVFI-IBGZPJMESA-N 326.415 4.381 0 40 EIAB CC(=O)c1c(F)cccc1N1CCC(c2nc3ccccc3[nH]2)CC1 12547950 BWXVUCBPZABARD-UHFFFAOYSA-N 337.398 4.289 0 40 EIAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 12929356 BVTJSRZSQLBFFC-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 13436958 ZSYPWSSGRVZENH-UHFFFAOYSA-N 336.343 4.055 0 40 EIAB biogenic,in-vitro C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3c2C1 14135254 VCCBCSUFSUQJMO-GFCCVEGCSA-N 327.424 4.065 0 40 EIAB Cc1nc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)sc1C 15321865 DUEHXXJRNXJPPB-UHFFFAOYSA-N 336.631 4.367 0 40 EIAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 17288295 GTJPQOOQWDZANF-UHFFFAOYSA-N 329.407 4.282 0 40 EIAB C[C@]1(CCc2ccccc2)N=C(S)N(c2ccc(Cl)cc2)N1 18137478 SRYZLHOQNKMAKS-KRWDZBQOSA-N 331.872 4.299 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 21117133 UWNGNUGGPXMHDF-LIRRHRJNSA-N 341.476 4.370 0 40 EIAB Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2nc1C 23330947 FCMCKHOPYRXASH-UHFFFAOYSA-N 325.799 4.461 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccc(F)c(F)c2)no1 27663784 ALDNNAYXRGCEHT-UHFFFAOYSA-N 348.736 4.454 0 40 EIAB Cc1ccc(-c2nc(C(=O)N(Cc3ccco3)C3CC3)cs2)o1 33166971 HFSQQIJQAOTMEM-UHFFFAOYSA-N 328.393 4.109 0 40 EIAB Cc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCC2)cc1 35622473 DCOGCJRYJAIOQT-UHFFFAOYSA-N 333.439 4.161 0 40 EIAB Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)OC(C)C)ccc12 38248375 YZGZZWMODWINHA-NRFANRHFSA-N 330.704 4.382 0 40 EIAB CCCCOc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1 40106800 NWGXOUWTKCFCKW-UHFFFAOYSA-N 331.362 4.347 0 40 EIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccccc1 40108470 ZPTBUTXGMFGYOI-AWEZNQCLSA-N 346.268 4.129 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 40116464 NZESECWYTOJIJD-NSHDSACASA-N 341.304 4.101 0 40 EIAB Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc(Br)o3)cc2c1 41382001 RLDIGVCWZZZOJS-UHFFFAOYSA-N 347.212 4.104 0 40 EIAB COc1ncccc1NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 48415612 OXZWJZXVDFARSU-GFCCVEGCSA-N 325.368 4.061 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1CN(C)C 52666169 OWWIHUVBDMXECU-HNNXBMFYSA-N 328.481 4.009 0 40 EIAB Clc1ccc(-c2nnn3c2nc(N2CCCC2)c2ccccc23)cc1 57510445 GGEYTEUIILSQQC-UHFFFAOYSA-N 349.825 4.198 0 40 EIAB C[C@@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl 57816046 JRBMEBKRDFUZIT-BEFAXECRSA-N 342.870 4.354 0 40 EIAB CC(C)(C)NC(=O)c1oc2ccccc2c1CSc1ncccn1 58406205 VLCJITITNDILKF-UHFFFAOYSA-N 341.436 4.043 0 40 EIAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc2ccccc2c1 59294113 HZIVLDALXPDEPY-UHFFFAOYSA-N 341.823 4.015 0 40 EIAB CSc1nc(C(=O)Nc2ccc(C)c3ncccc23)c2ccccn12 60552399 VWHGALUSBOYSMB-UHFFFAOYSA-N 348.431 4.165 0 40 EIAB O=C(NCc1ccc(O)cc1)c1ccc2noc(-c3ccccc3)c2c1 65624219 ZQVJSRQWPMGBNL-UHFFFAOYSA-N 344.370 4.130 0 40 EIAB CCc1cnccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 72283523 NSDLXWPBZMXLKQ-UHFFFAOYSA-N 349.390 4.050 0 40 EIAB CCN(CC)[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 72303403 IKUHQWVBLNZFSB-SFHVURJKSA-N 348.918 4.095 0 40 EIAB CS[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 78821161 CWSSUFZAKKPWPY-NHYWBVRUSA-N 349.887 4.145 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1F 84504688 UAJXKPUARLARNJ-ZWKOTPCHSA-N 338.426 4.164 0 40 EIAB O=C(NCCc1ccc(O)cc1)Nc1ccc(-c2ccccc2)cc1 84562573 NNUBFOKIASLNSO-UHFFFAOYSA-N 332.403 4.423 0 40 EIAB C[C@H](C1CC1)N(C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 84636288 RSFJPGCTBXODFE-SECBINFHSA-N 326.227 4.274 0 40 EIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc4[nH]ccc34)c12 95480389 ZDQAQVQPZASPQU-UHFFFAOYSA-N 347.422 4.134 0 40 EIAB Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 96277045 IBELAXPOQWSOPZ-QGZVFWFLSA-N 335.407 4.172 0 40 EIAB Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 96318493 KFETWXFCEJCXOO-UHFFFAOYSA-N 335.428 4.367 0 40 EIAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc32)cc1 140051417 KDSSEBLOISMXHT-DUXKGJEZSA-N 346.474 4.168 0 40 EIAB Cc1nc2ccc(Cl)cn2c1-c1nnc(-c2ccc(F)cc2)o1 216604706 VHOLDAWDFOAEMF-UHFFFAOYSA-N 328.734 4.152 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccccc1Cl 222860372 HWWISBFETGTIHO-SFHVURJKSA-N 331.843 4.246 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(F)cc2)on1 224069171 IGVFDWVZKYNVBV-CQSZACIVSA-N 338.382 4.232 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224136768 JGRJKVKZBXGXQB-UHFFFAOYSA-N 347.842 4.410 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC[C@@H](C)c1ccccc1 224451749 VEGQFFLRBFFOAD-YLJYHZDGSA-N 325.452 4.381 0 40 EIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 225897014 MVGUHYGFGJVNMC-IBGZPJMESA-N 330.428 4.167 0 40 EIAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257280173 OJULLEVFWHIEBK-PZBVGEIHSA-N 345.483 4.189 0 40 EIAB CCCc1sc(=N)n(CC)c1-c1ccc(Br)cc1 408576171 SHPHNBGDTKCAJP-UHFFFAOYSA-N 325.275 4.431 0 40 EIAB Cc1ccc(OCCSc2nnc(C)n2-c2ccc(C)cc2)cc1 409104330 CWINGOVTXPWURI-UHFFFAOYSA-N 339.464 4.364 0 40 EIAB Cc1ccc2nc(CNc3ccc(CCC(C)C)cc3)cc(=O)n2c1 521723847 QWRGZZMJFDQUSJ-UHFFFAOYSA-N 335.451 4.204 0 40 EIAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1ncc(-c2cccc(Cl)c2)o1 530174792 BCVQMKDSYDZZNB-VXGBXAGGSA-N 348.830 4.069 0 40 EIAB Cc1cc(C(=O)NC[C@@H](c2csc3ccccc23)N(C)C)c(C)o1 575619449 FOFDORVYADDDAK-KRWDZBQOSA-N 342.464 4.144 0 40 EIAB Cc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 98547 BRFNNFOBPOZNQN-XNTDXEJSSA-N 342.192 4.102 0 40 EIAB CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 362973 QYVHPITUKBNDGT-UHFFFAOYSA-N 330.609 4.055 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1 363335 ZHNKSFISRAJWFG-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB Cc1c(C(=O)Nc2cccnc2)oc2ccc(Br)cc12 387726 GKDNFYAZAYBRNF-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB CCn1c(COc2ccccc2)nnc1SCc1ccc(C)cc1 419269 QTSYUJCIMXNIQG-UHFFFAOYSA-N 339.464 4.478 0 40 EIAB CC[C@@H](C)c1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 505055 RDGIWPDOCHQLBQ-CYBMUJFWSA-N 344.407 4.445 0 40 EIAB COc1ccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)cc1 2699099 JISKWKXLARALEN-UHFFFAOYSA-N 336.416 4.446 0 40 EIAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C 2919575 QGPVMDYIYHVIOF-IRXDYDNUSA-N 339.830 4.090 0 40 EIAB CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1 3585449 MPPVJGKNAQALPG-UHFFFAOYSA-N 334.872 4.132 0 40 EIAB Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 5407877 GWDPWALJBYJNBZ-FQEVSTJZSA-N 339.435 4.283 0 40 EIAB COc1ccc2c(CC(=O)N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)coc2c1 6530420 CXHLUZYNQNTTFT-IQVOZAENSA-N 341.451 4.315 0 40 EIAB CCc1nnc(NC(=O)Cc2coc3ccc(C(C)C)cc23)s1 6809912 KRIDOYYBOUVWCW-UHFFFAOYSA-N 329.425 4.151 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc(Br)ccc21 6958855 MBDKDTJJINQYIC-WFASDCNBSA-N 349.272 4.099 0 40 EIAB c1ccc2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2c1 7216118 DKRFGJUMHHDHMM-FQEVSTJZSA-N 346.430 4.343 0 40 EIAB Cc1ccccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7417101 UXRXGJQXBNGIDZ-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc(Br)ccc1F 7750560 PAZBYPYEQDJFIC-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(C)c2C)cs1 7844875 AIZBFVVVWQMHIM-UHFFFAOYSA-N 339.464 4.255 0 40 EIAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1c[nH]c2ccccc12 8134445 LRIIDKYXDYORRB-GFCCVEGCSA-N 335.432 4.418 0 40 EIAB CCN(CC)C(=S)Sc1nc(C)nc2sc3c(c12)CCC3 8178310 QTVJEZITPWABSG-UHFFFAOYSA-N 337.539 4.207 0 40 EIAB O=C1CCCC[C@@H]1Sc1nc(C(F)(F)F)nc2ccccc12 8393224 RMJUVQOKYWSANK-LBPRGKRZSA-N 326.343 4.252 0 40 EIAB COc1ccc(C(=O)c2oc3cc(NC(=O)C4CC4)ccc3c2C)cc1 9053971 AZJXIVLZCDMOIY-UHFFFAOYSA-N 349.386 4.329 0 40 EIAB biogenic CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1Cl 11917258 HSCSMHKHFVDULP-IBGZPJMESA-N 344.886 4.461 0 40 EIAB c1csc(-c2cc(COc3ccc(-c4nnco4)cc3)no2)c1 12037585 LWCPPNFBFPMBFT-UHFFFAOYSA-N 325.349 4.032 0 40 EIAB CCN(C(=O)c1ccco1)c1nc2c(s1)CCc1oc(C)cc1-2 12145106 CIRNQNSCOCETNF-UHFFFAOYSA-N 328.393 4.070 0 40 EIAB Cc1c(C)n(Cc2cccnc2)c2nc3c(c(N)c12)CCCCCC3 12324377 WGULLWUUJYHJPW-UHFFFAOYSA-N 334.467 4.338 0 40 EIAB O=c1c2cc(OCCCc3ccccc3)ccc2nc2n1CCCCC2 12899006 UOBYZEFQPVDDOP-UHFFFAOYSA-N 348.446 4.135 0 40 EIAB biogenic O=C(CSc1ccccc1)NCC1(N2CCCCC2)CCCCC1 12907805 PVVYFURGCRNDAN-UHFFFAOYSA-N 346.540 4.084 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2F)cc1 12999087 QUVRHBQWAXYDPJ-QGZVFWFLSA-N 333.790 4.465 0 40 EIAB CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)c(Cl)c1 13686052 XRVVSKJNXPLVSS-UHFFFAOYSA-N 340.279 4.260 0 40 EIAB Cc1cc(COC(=O)c2ccccc2OCc2ccc(F)cc2)no1 14112787 JXZVELYEODHNEP-UHFFFAOYSA-N 341.338 4.058 0 40 EIAB Cc1c(Cl)cccc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291464 PVAPZEPKQYQFTE-UHFFFAOYSA-N 330.236 4.244 0 40 EIAB CC(C)[C@@H](NC(=O)CCc1ccc(N(C)C)cc1)c1ccc(F)cc1 21974593 UOPCLMUIYDRLDZ-OAQYLSRUSA-N 342.458 4.338 0 40 EIAB CCN1CCC[C@H]1CN(CCCc1ccccc1)Cc1ccncc1 23247760 CXLFHBNQONWFGQ-QFIPXVFZSA-N 337.511 4.001 0 40 EIAB Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)C2CCCC2)c1Cl 24707834 IATYSYXRIKTJHM-UHFFFAOYSA-N 336.284 4.173 0 40 EIAB Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc(OC(F)F)cc3)cc2c1 28415061 ORJNRMCMFCOFRN-UHFFFAOYSA-N 344.361 4.350 0 40 EIAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC(C)C)cc1 28645947 PROSVUKNUFBQOR-UHFFFAOYSA-N 333.435 4.045 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 30840582 CJVRIUAJBJOLPT-OXJNMPFZSA-N 339.435 4.135 0 40 EIAB Clc1cccc(-c2nnc3sc(C4CCC4)nn23)c1Cl 36353650 WEUUYPLPSLEIGV-UHFFFAOYSA-N 325.224 4.427 0 40 EIAB CCc1nc(NC(=O)c2cc3ccc(F)cc3nc2C)sc1C 40119006 FYHGUFRPWGJTRI-UHFFFAOYSA-N 329.400 4.262 0 40 EIAB Cc1cc(C)cc(-n2ccnc2SCCOCC(F)(F)F)c1 40152427 FSLHLQMKDZSLKC-UHFFFAOYSA-N 330.375 4.160 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2cccs2)C1 40283146 OQEIHFVKDPYIJU-LBPRGKRZSA-N 331.347 4.336 0 40 EIAB Fc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1 45208967 NYZLOMNUXLIKMT-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccccc2SC(C)C)cc1 45333542 MNPUDWOQTNFUHO-UHFFFAOYSA-N 329.465 4.304 0 40 EIAB COc1cc(C)c([C@H](C)NC(=O)c2c(C)oc(C)c2C)cc1OC 48286679 QPWCUEZFFDOOIT-LBPRGKRZSA-N 331.412 4.021 0 40 EIAB Cc1ccccc1-c1nnc(SCc2cn3ccsc3n2)o1 58278543 ZUXRHQHOPFUWKH-UHFFFAOYSA-N 328.422 4.047 0 40 EIAB c1ccc(Cc2nc(CN3CCC(n4cccc4)CC3)cs2)cc1 58526158 FHWKNEAHGDFVNR-UHFFFAOYSA-N 337.492 4.373 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)N1CCc2ccc(F)cc21 58742451 ZDDJIDUZAYEFDM-UHFFFAOYSA-N 328.368 4.054 0 40 EIAB O=C(Nc1ncccc1OCc1ccncc1)c1ccc(Cl)s1 65491809 NQFMRVZYENBPNC-UHFFFAOYSA-N 345.811 4.023 0 40 EIAB O=C(Nc1ccccc1OC1CCCC1)N[C@@H]1COc2ccccc21 70039109 JNUBADSNLPWRMD-QGZVFWFLSA-N 338.407 4.263 0 40 EIAB Clc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)c(Cl)c1 70461390 PJKMARRBENIXRL-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc3ncccc23)s1 72270330 DUGOXBAXPMEQLM-LBPRGKRZSA-N 325.437 4.141 0 40 EIAB O=C(NCCc1ccccn1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 72273314 KRRWACUFYLGXSD-FQEVSTJZSA-N 348.450 4.042 0 40 EIAB C[S@](=O)Cc1ccc(Cl)c(NCc2cccc3cccnc23)c1 96453612 PPODUNPHKFJEER-HSZRJFAPSA-N 344.867 4.379 0 40 EIAB CC1(C)O[C@]2(C)CC[C@@H]1C(=O)OC2(c1ccccc1)c1ccccc1 100365247 HVDYOZGDLMDFIE-WIYYLYMNSA-N 336.431 4.451 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@@H](c2cccs2)C1 102558266 JFNNVHXBXRIYSL-ACJLOTCBSA-N 348.431 4.405 0 40 EIAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1ccc(Cl)cc1 102573037 MIRIHHBTFAOQHM-HMMYKYKNSA-N 347.205 4.184 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(Cl)cc1 113970406 WMZWRRARGNWAFX-KRWDZBQOSA-N 331.843 4.431 0 40 EIAB CC1CCC(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)CC1 139468291 OWVWSYDYAGINOI-UHFFFAOYSA-N 349.434 4.304 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219566677 XFXHMRGXBQLHNT-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB COc1cc(C)c(S(=O)(=O)NC2CCCCCC2)cc1C(C)C 222748208 MELYRDNBJFESJU-UHFFFAOYSA-N 339.501 4.128 0 40 EIAB CC[C@@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)CCCC2 223126136 XUPFMQRNJPBUAZ-LJQANCHMSA-N 341.426 4.351 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)Cc2cccc(Cl)c2)c1 223137618 QGOWNIYDDLRAJS-UHFFFAOYSA-N 345.870 4.419 0 40 EIAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1C 223169464 MEZWJBKWBIIFKX-HXUWFJFHSA-N 337.463 4.311 0 40 EIAB Cc1c(Cl)cnc(NC(=S)NCc2ccc(F)cc2)c1Cl 223946391 OUQZKDILMOLHJN-UHFFFAOYSA-N 344.242 4.323 0 40 EIAB CCCCOCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC 224444365 KWGGARXSRVPSGP-UHFFFAOYSA-N 345.414 4.081 0 40 EIAB Cn1c(/C=C2/SCCN2C(=O)C2CCCCC2)nc2ccccc21 225238006 QYCTTYFCRXSIKA-QGOAFFKASA-N 341.480 4.027 0 40 EIAB CCOc1cccc(NC(=S)NCCSc2ccc(C)cc2)c1 225286655 ODVLSFRVELXSJY-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB CCCc1ccc(C(=O)NCc2cccnc2-c2ccncc2)cc1 225748243 FBGHCRSLQAMDIZ-UHFFFAOYSA-N 331.419 4.026 0 40 EIAB Cc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1C 225777962 ZKLNRXWCBLHZOJ-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB CC(C)C(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@@H]2CCCC[C@@H]12 257313460 USNVLMGHAMVMKZ-BSDSXHPESA-N 337.410 4.126 0 40 EIAB O=C(CN(C1CCCCC1)C1CCCCC1)N[C@H]1C[C@H]2CC[C@H]1C2 408583842 XLQJRSHVXIUIKH-ZWOKBUDYSA-N 332.532 4.259 0 40 EIAB Clc1ccccc1CSc1n[nH]c(COc2ccccc2)n1 409387020 YSPURCNDKONKPU-UHFFFAOYSA-N 331.828 4.329 0 40 EIAB CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 513067063 BXIUZBBCKAZRBL-MRXNPFEDSA-N 341.430 4.036 0 40 EIAB CC(C)(CC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)C1CC1 552412620 HQWYQNKGPKJAKT-OAHLLOKOSA-N 331.460 4.217 0 40 EIAB CCc1cccnc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 582955276 KDTFGXQYWMNWET-OAHLLOKOSA-N 335.407 4.387 0 40 EIAB CC[C@H](C)c1cc(-c2nc(C3(c4cccc(OC)c4)CC3)no2)on1 585084350 NYOISUPLVYISQZ-LBPRGKRZSA-N 339.395 4.327 0 40 EIAB COc1ccc(OC)c(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)c1 1083103667 SUMLLEVKTNZHEF-UHFFFAOYSA-N 348.358 4.099 0 40 EIAB Cc1ccccc1OCC(=O)NCCc1ccc(-c2ccco2)s1 2086896878 SGHCQSUAAXMLMW-UHFFFAOYSA-N 341.432 4.054 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 514201 NKFHTXXRHBOAAI-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1ccccc1-c1nc2nc3ccccc3nc2n1C[C@@H]1CCCO1 542382 LCAYOERPBCHEAT-HNNXBMFYSA-N 344.418 4.134 0 40 EIAB COc1ccc(NC(=O)c2ccccc2Cl)cc1Br 570587 ZBVNWUYDFHLAAZ-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB COC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12 1440019 PQKROUMUNBTZFV-UHFFFAOYSA-N 329.783 4.144 0 40 EIAB COc1ccc(C(=O)c2ccccc2C(=O)c2ccccc2OC)cc1 1593615 RRXZZISMTINXCL-UHFFFAOYSA-N 346.382 4.166 0 40 EIAB Nc1nc(-c2ccccc2)c(Cl)c(-c2cc(Cl)ccc2O)n1 1616398 ASVMCLHZCMJDDQ-UHFFFAOYSA-N 332.190 4.405 0 40 EIAB Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C 2919577 QGPVMDYIYHVIOF-IAGOWNOFSA-N 339.830 4.090 0 40 EIAB C[P@](=O)(Nc1ccc(Cl)cc1)c1nc2c(s1)CCCC2 3178808 RPZTVXDRMRTLQL-LJQANCHMSA-N 326.789 4.321 0 40 EIAB O=C(Oc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 3279414 WVNNHMUFJZHMHN-UHFFFAOYSA-N 332.355 4.153 0 40 EIAB COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 3314935 CRNCVNINOMQDFK-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB Fc1ccccc1CSc1ccc(-c2ccc3c(c2)OCO3)nn1 4356571 LVVLCEPDNWZQAQ-UHFFFAOYSA-N 340.379 4.304 0 40 EIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccc(F)cc1 4484980 SJOODVKSVYJDCJ-VIFPVBQESA-N 349.818 4.475 0 40 EIAB COc1cccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 5262072 HTAOOTHCVROVOH-JTQLQIEISA-N 339.222 4.441 0 40 EIAB Cc1cc(C)n(-c2nc3sc4c(c3c(=S)[nH]2)CC(C)(C)OC4)n1 6062689 LOXPOGVCHGFZHO-UHFFFAOYSA-N 346.481 4.008 0 40 EIAB CCCc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)sc1C 6235748 KORKMERUQYVWEI-UHFFFAOYSA-N 331.437 4.356 0 40 EIAB COc1ccc2sc(NC(=O)/C=C/c3ccc(F)cc3)nc2c1 6275238 UTJHQNUHELCDOQ-RUDMXATFSA-N 328.368 4.096 0 40 EIAB Cc1ccc(O)c(C(=O)OCc2csc(-c3ccsc3)n2)c1 7068173 ZYTJYZWZARDEQN-UHFFFAOYSA-N 331.418 4.243 0 40 EIAB CCSc1ccccc1C(=O)n1cc(C(=O)OC)c2ccccc21 7684343 VJXJVTWOZIAHPE-UHFFFAOYSA-N 339.416 4.228 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1 8775510 CDHJESHVYVCTIO-NSHDSACASA-N 346.452 4.431 0 40 EIAB Cc1occc1C(=O)Nc1nnc(SCc2ccccc2F)s1 9455472 IHXUIJYSPRNBGC-UHFFFAOYSA-N 349.412 4.123 0 40 EIAB Cc1ccc(CNc2nc(-c3cccs3)nn2C(=O)CC(C)C)o1 9667684 BCOPWEWVXLUKIL-UHFFFAOYSA-N 344.440 4.206 0 40 EIAB Cc1[nH]c2nc3ccccc3n2c(=O)c1Cc1ccc(C(C)(C)C)cc1 10325404 MNKODBQDFBRCNP-UHFFFAOYSA-N 345.446 4.373 0 40 EIAB CCc1cccc(C)c1NC(=O)c1cc(C)nc2c1cnn2C(C)C 10808803 BEWHWWZREDPYPA-UHFFFAOYSA-N 336.439 4.444 0 40 EIAB CCCOc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10874410 LYDBAGXNHRMMGE-UHFFFAOYSA-N 342.420 4.122 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2c(s1)CCC2 11059956 FBCDJHBRSRNZCA-UHFFFAOYSA-N 337.448 4.292 0 40 EIAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cccc3ccccc23)c1 12554845 NNSOJEDEAIRKDS-AWEZNQCLSA-N 347.418 4.237 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12747812 JIUGIQVSTZVXGU-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1OC 12859032 XBTCMCAJMUILCM-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB O=C(Nc1nccs1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 12918194 KERJYMAUPQOAFO-QGZVFWFLSA-N 348.431 4.089 0 40 EIAB C[C@@H](NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1)c1cccs1 12988563 LUKYGHGIKKMXNU-OAHLLOKOSA-N 344.524 4.355 0 40 EIAB O=C(O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 13166676 UCHJPDPQGDYJFM-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCC2=O)cc1 14739269 WJHBXWCFPUEQAL-UHFFFAOYSA-N 336.435 4.498 0 40 EIAB Cc1ccccc1Nc1nc(Nc2ccc(F)cc2)nc2c1cnn2C 17136036 DYUSBXYJPVIYDD-UHFFFAOYSA-N 348.385 4.298 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1 20042444 JLOSDZDORKFSSU-KRWDZBQOSA-N 341.451 4.430 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCSCc2ccccc2F)c1 20486727 YLKKJMALUWFADZ-UHFFFAOYSA-N 331.456 4.035 0 40 EIAB CCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2cc(Cl)ccc21 22234866 GZWMEZJEJGFZSU-UHFFFAOYSA-N 344.773 4.066 0 40 EIAB O=C1CCc2cc(NC(=O)NCc3cccc4ccccc34)ccc2N1 22507043 HRPJPECWSSTHGO-UHFFFAOYSA-N 345.402 4.046 0 40 EIAB CCONC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 22875286 RIHIMHLUTBJKLF-UHFFFAOYSA-N 336.391 4.009 0 40 EIAB Cn1cc(/C=C/C(=O)Nc2ccccc2SC2CCCC2)cn1 24579809 LRGNJRDUXYNPGC-ZHACJKMWSA-N 327.453 4.107 0 40 EIAB O=C(COc1ccc(Cl)cc1)OCc1csc(-c2ccco2)n1 25460100 JCSSIJYVCZWZJC-UHFFFAOYSA-N 349.795 4.179 0 40 EIAB COc1ccccc1[C@H](C)N(C)C(=O)NCCSc1ccccc1 27359133 CPDMWIGOQITKNX-HNNXBMFYSA-N 344.480 4.190 0 40 EIAB CC(C)Oc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 30872845 XPIXQICUXHRBMP-UHFFFAOYSA-N 333.428 4.485 0 40 EIAB Cc1ccc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)[nH]c2c1 31270550 TVPLLXMCLHFKJI-NRFANRHFSA-N 348.446 4.062 0 40 EIAB CCN(CC)[C@H](C)COC(=O)C(c1ccccc1)c1ccccc1 31622891 UQSAURXCYOSILU-QGZVFWFLSA-N 325.452 4.092 0 40 EIAB CCOc1cc(C(=O)Nc2ccccc2OC)cc(Cl)c1OCC 33764495 XOIOSYISKHNXAQ-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB C[C@@H](NC(=O)CCc1cccs1)c1cccc(OC(F)F)c1 36392769 VULWBPKJVIAYHL-LLVKDONJSA-N 325.380 4.160 0 40 EIAB CC(C)(C)c1nc(CSc2nc3ccccc3n2C(F)F)no1 37170760 YANRPDRRGZPGPC-UHFFFAOYSA-N 338.383 4.404 0 40 EIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)[C@@H](C)c1cccs1 41908367 HYESZZZVDJUIEJ-NSHDSACASA-N 348.493 4.300 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C)c2)cc1OC 44900509 PDSMEXHNCSSFGW-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(OC)ccc1OC 44904848 UMROKQCLOZNZMD-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB CCOc1ccccc1CS[C@H](C)C(=O)Nc1ccccc1OC 45090253 FINKWLUXJWFDJI-CQSZACIVSA-N 345.464 4.354 0 40 EIAB CN(C)c1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)s1 48310437 XWVXTAFDHVMJEC-ATVHPVEESA-N 348.427 4.312 0 40 EIAB O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccncc1 57084079 ZSBSJCOKVIQTPD-INIZCTEOSA-N 328.824 4.316 0 40 EIAB CCN(CC)C(=O)c1cc(C(C)C)cc(Br)c1OC 57339326 QKXVUCDKUYLUKE-UHFFFAOYSA-N 328.250 4.063 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(n2ccnc2)CC1 65586034 YPBZYWWVGIQGFG-UHFFFAOYSA-N 346.434 4.419 0 40 EIAB Cc1ccsc1-c1nnc(S[C@H](C)c2nc(C3CC3)no2)o1 69374453 QYQBLOYFCFTCIW-MRVPVSSYSA-N 334.426 4.220 0 40 EIAB Nc1ccccc1-c1nc(-c2cccc(N3CCCC3=O)c2)cs1 71817803 VRFFMTFHLUKDCM-UHFFFAOYSA-N 335.432 4.186 0 40 EIAB Cc1ccc2cccc(NC(=O)c3cc(-c4ccccc4)no3)c2n1 72090870 CSHPQBJMLVIIGF-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=[N+]([O-])/C=C/c1c(-c2ccccc2)nn(-c2ccccc2)c1Cl 72207238 BMAOKAPDKDAQAN-VAWYXSNFSA-N 325.755 4.440 0 40 EIAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 79103216 UYBWHBHVIAGPAK-ZBEGNZNMSA-N 338.234 4.235 0 40 EIAB NC(=O)Nc1cccc(C(=O)Oc2ccccc2-c2ccccc2)c1 84562848 JFUOBLJGYZXDSZ-UHFFFAOYSA-N 332.359 4.063 0 40 EIAB C[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)c(F)c1 90966216 BVAGBFMRUZCRAY-MXWKQRLJSA-N 330.241 4.195 0 40 EIAB CCS[C@H]1CCC[C@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 95945359 KUWRCJSXWBWPDI-GJZGRUSLSA-N 344.484 4.263 0 40 EIAB O=C(c1ccc2nc[nH]c2c1)N1CCCC[C@H](c2ccc(F)cc2)C1 206670105 OLOHSSNGZMWWOT-INIZCTEOSA-N 337.398 4.112 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccccc2F)cc1 222776883 QSOFYEJDPIEBDX-SFHVURJKSA-N 345.414 4.117 0 40 EIAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225042377 XHNZXDHXOFVWOG-UHFFFAOYSA-N 325.433 4.363 0 40 EIAB COc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1Cl 225123770 VBCMQPPVVNSYIA-QGZVFWFLSA-N 334.799 4.040 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 225266260 ACMQVIMSSMSHFB-UHFFFAOYSA-N 344.842 4.051 0 40 EIAB Fc1ccc(NC(=S)NCCSC2CCCCC2)cc1F 225358070 LCZUHKMOFPASRN-UHFFFAOYSA-N 330.469 4.317 0 40 EIAB CCCCc1ccc(Nc2ccc(C(=O)NCCC)cc2N)cc1 225446437 SGOZYZXFSHKTGI-UHFFFAOYSA-N 325.456 4.495 0 40 EIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCOCC)cc1 225739599 KFOFSVUDVMFCPS-IBGZPJMESA-N 337.460 4.026 0 40 EIAB CCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCC)c(C)c1 225907533 YNOUHIOWGCWRRG-IBGZPJMESA-N 336.476 4.493 0 40 EIAB Cc1ccc(Nc2nc(N)nc(Nc3cccc(Cl)c3)n2)c(C)c1 227149296 MENAJWXNKJXUPQ-UHFFFAOYSA-N 340.818 4.211 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1cc(C)cc(C)c1)c1ccccc1 408981729 WMKPOLOVJPGTTR-SFHVURJKSA-N 340.423 4.119 0 40 EIAB CCN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409067062 OXEUCLZYBINTQF-GZTJUZNOSA-N 340.448 4.209 0 40 EIAB Clc1cnccc1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 578388463 APSYKUIKZUOQGL-HNNXBMFYSA-N 332.835 4.113 0 40 EIAB CC(C)(C)c1nc(CSc2ncc3c(n2)CCCC3=O)cs1 629198928 GAQUIEIKERVDOH-UHFFFAOYSA-N 333.482 4.042 0 40 EIAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)c(C)o1 670785059 KEAYJKOISRFJHD-AWEZNQCLSA-N 347.461 4.150 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 1505840674 ORFKKMKGCWGAJI-ITXXBFQVSA-N 344.499 4.209 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)Nc1ccccc1Cl 1775965398 HOPOPHKKKIRGSO-CYBMUJFWSA-N 346.770 4.048 0 40 EIAB c1ccc(Nc2nc([C@H]3CCCN3Cc3cscn3)cs2)nc1 2037846295 NMLGWTXIMFWSJV-CQSZACIVSA-N 343.481 4.075 0 40 EIAB CCN(CC)c1nc(C)nc2c1sc(=S)n2-c1ccccc1 111063 UFDOQYOTEFZFKJ-UHFFFAOYSA-N 330.482 4.366 0 40 EIAB Cc1ccc(C)c(NCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 196900 BYLVOXQYRVLHNA-UHFFFAOYSA-N 349.217 4.276 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)oc(=O)c2c1 342315 ZHEIVYQTPHYZAF-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)c1cccc(C)c1 547150 DOFGLCUYQWUZMI-UHFFFAOYSA-N 342.782 4.169 0 40 EIAB Cc1sc2ncnc(N3CCOCC3)c2c1-c1ccc(Cl)cc1 1094913 YGQDRNVWWGORFQ-UHFFFAOYSA-N 345.855 4.157 0 40 EIAB CCCCCOC(=O)c1nc(NCC2CCCCC2)sc1N 1646438 XZCMAHGHAQPBIH-UHFFFAOYSA-N 325.478 4.065 0 40 EIAB CCCCOc1c(Cl)cc(/C=C2\N=C(C)OC2=O)cc1OCC 2160022 DZXGNRKHDVQWCH-ZROIWOOFSA-N 337.803 4.234 0 40 EIAB CN(C(=O)CSc1ccc(Br)cc1)C1CCCCC1 3223128 QAHVPMBXQVKTFM-UHFFFAOYSA-N 342.302 4.332 0 40 EIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 4070437 IKKFRPBRAPJYHC-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CCCCC(=O)Nc1nnc(SCc2cccc(F)c2)s1 4078275 DDNJAVSZBQBFPG-UHFFFAOYSA-N 325.434 4.098 0 40 EIAB CCCc1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1 4898043 FPUZZTAUQDMNNB-UHFFFAOYSA-N 343.434 4.278 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2F)no1 5562947 PCOMAFKIHLYLCB-UHFFFAOYSA-N 339.370 4.071 0 40 EIAB Cc1sc2ncnc(Sc3ccc4c(c3)OCCO4)c2c1C 6509401 JIISMVIMLDTLDP-UHFFFAOYSA-N 330.434 4.231 0 40 EIAB C[C@@H](c1ccccc1)n1c(SC(F)F)nc2ccccc2c1=O 6786967 XONLUOAQZLWILA-NSHDSACASA-N 332.375 4.321 0 40 EIAB S=C(NCCCOC1CCCCC1)Nc1ccc(Cl)cc1 7010994 ROYGDVNTYGWDDE-UHFFFAOYSA-N 326.893 4.366 0 40 EIAB CN(CC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccccc1 7115582 WDTSIGZZQQSSBK-FQEVSTJZSA-N 336.460 4.090 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1 7572774 KSPFBQYLMDARFW-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1 7696782 UDQWOFPGPZQMBP-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccco1 8360387 UKHAHJDIOLTTDJ-GFCCVEGCSA-N 340.404 4.084 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c(O)c1 8378679 VVVZWVOUKPQBIU-UHFFFAOYSA-N 337.419 4.181 0 40 EIAB C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 8714205 YHJZENMMJGTNRL-OAHLLOKOSA-N 345.398 4.223 0 40 EIAB C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccncc1 9118271 GMQZZFMALXHHSF-AWEZNQCLSA-N 330.387 4.401 0 40 EIAB CC[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cc(C)on1 9690342 NNGCKEPMFDHZGI-CYBMUJFWSA-N 347.465 4.368 0 40 EIAB CN(C)Cc1ccccc1CNC(=O)c1cc(Cl)sc1Cl 9917315 REXRQSDZVSMQBJ-UHFFFAOYSA-N 343.279 4.047 0 40 EIAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccncc2)c1 12736388 XXCJDQXRTSWGRK-UHFFFAOYSA-N 335.432 4.497 0 40 EIAB Cc1sc(-c2cccc(F)c2)nc1-c1ccc2c(c1)NC(=O)CO2 12774139 MXHGQVYSEWWQDU-UHFFFAOYSA-N 340.379 4.256 0 40 EIAB c1ccc2c(CN3CCN(c4nc5ccccc5o4)CC3)cccc2c1 12812005 OTLCCOXNPBEBIM-UHFFFAOYSA-N 343.430 4.303 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 14397078 MOLWOYOSARVUCN-UHFFFAOYSA-N 346.814 4.096 0 40 EIAB Cc1ccc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 15318418 OPQJYPZECMMUEQ-UHFFFAOYSA-N 325.408 4.034 0 40 EIAB CC1(NC(=O)C[C@H](c2ccncc2)c2c[nH]c3ccccc23)CCC1 19461158 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CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1 44935480 MJQFVBNXMAVOJU-HXUWFJFHSA-N 333.435 4.121 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)N(Cc1cccnc1)C(C)C 47423332 HDRMSRVQNQWNPE-UHFFFAOYSA-N 337.398 4.128 0 40 EIAB Clc1ccc(-c2nc(CN3CCO[C@@H]4CCCC[C@@H]43)co2)cc1 51996401 GBEAHYYCQGHAKE-DLBZAZTESA-N 332.831 4.138 0 40 EIAB COc1ccc(-c2cc3nc(-c4ccccn4)nc(O)c3s2)cc1 53852800 MWKQTTUUNZSAPA-UHFFFAOYSA-N 335.388 4.135 0 40 EIAB O=C(NOCc1ccccc1)c1cc2c(s1)-c1ccccc1OC2 58016357 MYEFWVOLVNBWRN-UHFFFAOYSA-N 337.400 4.169 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 58332426 NVARFQHFWMZIEC-RDPWEWGOSA-N 338.451 4.191 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351550 DCWDULGUNRPDIG-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB Cc1nnc(SC[C@H](O)c2ccc(F)cc2)n1C1CCCCC1 66347373 WUFWRDNBDPRWLL-INIZCTEOSA-N 335.448 4.057 0 40 EIAB Cc1noc(C)c1CNC(=O)N[C@@H](C)c1oc2ccc(F)cc2c1C 69697565 PUCHFXZZZBRVNA-NSHDSACASA-N 345.374 4.046 0 40 EIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72214570 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CCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)oc2C)o1 56907248 OZOCBUHMMHMKPX-UHFFFAOYSA-N 343.408 4.311 0 40 EIAB CCCN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 57327414 BOQHKHDZPNEZAD-UHFFFAOYSA-N 349.430 4.254 0 40 EIAB CC(C)CNC(=O)CN(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 59985175 UDHLXOQQLOYBQM-CYBMUJFWSA-N 342.405 4.003 0 40 EIAB CCN(Cc1nc(-c2cccnc2)no1)[C@H](C)c1cc2ccccc2o1 67458352 TZGNHUMUBFGJKU-CQSZACIVSA-N 348.406 4.461 0 40 EIAB Cn1cc([C@H]2CCCN2Cc2ncc(-c3ccc(Cl)cc3)o2)cn1 69930141 OYKQSMNEKAQKOW-MRXNPFEDSA-N 342.830 4.066 0 40 EIAB C[C@@H](c1ccccn1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 71909745 HXZQSXUKKIPWIR-AWEZNQCLSA-N 344.842 4.308 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1N1CCCC1 72218797 DNEVHVHSCYLKCP-INIZCTEOSA-N 331.460 4.062 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2ccc(C(C)C)cc2)cc1OC 72331650 OXTXTJSMPXIVNW-AWEZNQCLSA-N 327.424 4.318 0 40 EIAB C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 84689700 NVSKYIIDYZNTTH-SUMWQHHRSA-N 328.416 4.149 0 40 EIAB CCSc1ccc([C@@H](C)NC2CCN(C(=O)C(C)(C)C)CC2)cc1 95421778 DNOCJYSJEWUDSK-OAHLLOKOSA-N 348.556 4.486 0 40 EIAB Cc1nc(C(=O)NCc2ccccn2)c(-c2ccccc2Cl)s1 95473824 YBZMPNZDEYWFBD-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CO[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 96388086 KFDKHWZNHDCFME-GOSISDBHSA-N 329.415 4.241 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1C 113960730 NLUMDDKIOLZJKT-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccoc1C 131454702 PYRBBGNKSVRROD-UHFFFAOYSA-N 341.436 4.121 0 40 EIAB CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(Br)cc3C2=O)C[C@H]1C 143450289 JWYYEBDAFMKCAM-CRDCHDEXSA-N 337.257 4.255 0 40 EIAB CCCOCc1cc(C(=O)Nc2cccc(F)c2)ccc1OCC 224705049 PEXXEIZHSCBTHF-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB Cc1cccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225082010 ITPFKMBYKYCPFL-AWEZNQCLSA-N 325.191 4.377 0 40 EIAB O=C(NC1CCCCCC1)c1snnc1-c1ccc(Cl)cc1 225768761 UZXVXRSIZURXLB-UHFFFAOYSA-N 335.860 4.311 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247471639 FOJUHJCWEZGNPR-HYVNUMGLSA-N 336.460 4.275 0 40 EIAB Cc1ccc(C[C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)cn1 257213005 CFUYBXGWKNPWOO-GOSISDBHSA-N 345.446 4.033 0 40 EIAB O=C(CC1CCCC1)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 257240399 HTGLPGCSHVMRJD-SFHVURJKSA-N 337.467 4.363 0 40 EIAB CC(C)Cc1ncc(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)s1 257283709 OZMLMZZBVSGZAD-HNNXBMFYSA-N 344.528 4.386 0 40 EIAB Cc1ncsc1CN1CCC[C@@H]1c1ncc(Cc2ccccc2)o1 257344167 ZWAFPGNTCFNSIM-QGZVFWFLSA-N 339.464 4.367 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1Cl 408588073 XCLMIAXEWXAZQY-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1nc2cc(NC(=O)Nc3ccc(N(C)C)cc3)ccc2s1 408975303 ACMXMZVFMVQSPT-UHFFFAOYSA-N 326.425 4.315 0 40 EIAB Cc1noc(C2CC2)c1NC(=O)N1CCc2cccc(F)c2[C@H]1C 545223860 HWYSCDNHWMZNST-LLVKDONJSA-N 329.375 4.151 0 40 EIAB Cc1nc(C)c(CNc2ccc(NC(=O)N3CCCCCC3)cc2)o1 585141653 YRPLKVPSGUCBIT-UHFFFAOYSA-N 342.443 4.311 0 40 EIAB CC(C)(C)c1nc2ccccc2n1C1CN(c2cc(C3CC3)ncn2)C1 1889191925 GSAAYHCHVXXCBY-UHFFFAOYSA-N 347.466 4.063 0 40 EIAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(F)cc1 37772 STEQKVLTPRIBIQ-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 188250 KMFCGRFHIFHIHO-OALUTQOASA-N 333.387 4.325 0 40 EIAB CC(C)(C)N1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O 367818 ZGKNLYOJXYAWFC-UHFFFAOYSA-N 336.416 4.358 0 40 EIAB CCC[C@@H](C)NC(=O)c1cc(Br)ccc1Br 383794 KBNNMTPIIHXYSM-MRVPVSSYSA-N 349.066 4.130 0 40 EIAB O=C1Oc2ccccc2[C@H]2ON=C(c3c(Cl)cccc3Cl)[C@H]12 1386058 PYWVDDLPQZNQMF-DZGCQCFKSA-N 334.158 4.004 0 40 EIAB CCN(CC)CC(=O)Nc1ccc(Cl)cc1Cc1ccccc1 1565068 SCLSATWHFHMVTM-UHFFFAOYSA-N 330.859 4.211 0 40 EIAB CCN(CC)CCCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 1665699 UGSIHPYVIZOQIU-QFIPXVFZSA-N 340.511 4.301 0 40 EIAB COc1ccccc1-c1nc(S)c2c(n1)Oc1c(C)cccc1C2 2693957 UCGLTSQHFKOCOO-UHFFFAOYSA-N 336.416 4.446 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2F)c1OC 3263236 VIDMFFWMDAGING-RMKNXTFCSA-N 335.762 4.148 0 40 EIAB CC(C)(C)c1cc(NC(=O)Cc2ccccc2)n(-c2ccccc2)n1 3321207 VOPKSSXVGHWBGY-UHFFFAOYSA-N 333.435 4.351 0 40 EIAB COc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)c1 3894524 CHCSSKICPPSTFH-UHFFFAOYSA-N 337.345 4.161 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4225262 UGAKFONVINDLDV-MRXNPFEDSA-N 333.435 4.194 0 40 EIAB Cc1ccc(CSc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1 4853312 ACEDMZBFCMJQOX-UHFFFAOYSA-N 344.386 4.111 0 40 EIAB Cc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C 5183346 VTOHGZLHVRTFBJ-UHFFFAOYSA-N 348.446 4.277 0 40 EIAB CCSc1ccccc1C(=O)Nc1nnc(-c2cccs2)o1 5240825 KTWJEBYDHITNSB-UHFFFAOYSA-N 331.422 4.162 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1[C@H](O)CC(C)(C)C2 5323353 MDHWTKOAIQEJKN-MLGOLLRUSA-N 339.435 4.185 0 40 EIAB COc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1 5681934 IYCLBXFXCYOPGC-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB O=c1oc2ccccc2cc1C1=NO[C@H](c2ccc(Cl)cc2)C1 5777111 KHUVZWSCKLVWMB-KRWDZBQOSA-N 325.751 4.312 0 40 EIAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 6626213 KFMQCNWQRVWJMP-SECBINFHSA-N 348.226 4.172 0 40 EIAB Cc1nc2scc(C)n2c1/C=C/c1cc(C(=O)O)c2ccccc2n1 8135987 FNWRKHRZUQBTTA-BQYQJAHWSA-N 349.415 4.429 0 40 EIAB FC(F)(F)c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 8706359 YHZRMTMDYAZTIX-UHFFFAOYSA-N 339.129 4.178 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)[C@H]1Cc2ccccc2S1 10310539 YDAMKSPMZNQNGL-HXUWFJFHSA-N 349.455 4.052 0 40 EIAB COc1ccc(CN(C)C(=O)CCc2ccc(C(C)C)cc2)cc1 10324787 GPMPRGSMSOBNEI-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1cc(OCCn2c(C=O)nc3ccccc32)cc(C)c1Cl 11735060 RUMPECYZDKZUKH-UHFFFAOYSA-N 328.799 4.198 0 40 EIAB Cc1ccc(C)c([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 12592568 HPZIMOKHXZNBFJ-UZLBHIALSA-N 336.435 4.049 0 40 EIAB Clc1ccc2c(Nc3ccc(N4CCOCC4)cc3)ccnc2c1 12639138 OWTAIVMJPVAXNT-UHFFFAOYSA-N 339.826 4.468 0 40 EIAB Fc1ccc(-n2ncc3c(N[C@@H]4CCc5ccccc54)ncnc32)cc1 12751319 KEOINVNMKATGHV-GOSISDBHSA-N 345.381 4.054 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1 12875417 RPCPROBSGWBYLN-CYBMUJFWSA-N 341.382 4.150 0 40 EIAB CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 12936213 VXVIILGBUBXKMR-NSHDSACASA-N 347.871 4.221 0 40 EIAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc(C(F)(F)F)c1 14898394 JFTDWHSPPLTHSM-UHFFFAOYSA-N 345.324 4.072 0 40 EIAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(Cl)ccc1Cl 15614645 HHNWBMDKIBGVOW-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB Cc1c(C(=O)O)c(-c2ccc(Cl)cc2)nc2cc3c(cc12)OCO3 18196852 HNZGYRLIJZGBIX-UHFFFAOYSA-N 341.750 4.291 0 40 EIAB COc1ccc(-n2nc(Nc3cccc(C)c3)c3c2CCCC3=O)cc1 20796791 CWKJAKQJEQPZDX-UHFFFAOYSA-N 347.418 4.452 0 40 EIAB NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 21811801 QZUWGSTWDIGMRY-CQSZACIVSA-N 327.280 4.113 0 40 EIAB COc1ccccc1CC(=O)NCC1(c2ccccc2)CCCCC1 25250633 MFUJCOPRSHEBNU-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)cccc2c1C 25674865 KFXBUIVKSISNPI-UHFFFAOYSA-N 347.418 4.386 0 40 EIAB Cc1cc(-n2c(C)cc(C(=O)CN3CCCc4ccccc43)c2C)no1 26462663 MKLPKJGXIZEXJX-UHFFFAOYSA-N 349.434 4.026 0 40 EIAB CSc1ccc(C(=O)CCC(=O)N2c3ccccc3C[C@@H]2C)cc1 30996679 PUIIUMPXJDVBKK-AWEZNQCLSA-N 339.460 4.349 0 40 EIAB O=C(Cc1ccccc1)Nc1cccc(-c2nc3cnccc3o2)c1 32071104 MPSKXGPLWNKYCQ-UHFFFAOYSA-N 329.359 4.071 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1cccc(F)c1 32930273 JVECODSUSXCOJT-UHFFFAOYSA-N 342.414 4.300 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)NCCCOCc1ccccc1 40069031 SYBVXTVBKONSNG-UHFFFAOYSA-N 346.858 4.088 0 40 EIAB O=C(NCCc1ccccc1F)Nc1ccccc1C(F)(F)F 40095996 JNRRANGDBZLGQC-UHFFFAOYSA-N 326.293 4.209 0 40 EIAB COc1ccc(CN(C)C(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 40144342 VYGLNQNAVPUCRM-UHFFFAOYSA-N 346.789 4.241 0 40 EIAB CC[C@H](C)c1noc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 41122063 OHUMEXWBLUULAO-LBPRGKRZSA-N 347.846 4.256 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)o1 43720378 LWCCSFZLLTWRBO-CABCVRRESA-N 348.468 4.101 0 40 EIAB Cc1nc(-c2ccc(N[C@H](C)C(=O)N3CCC(C)CC3)cc2)cs1 52774639 DSIWIDYGHMVTLI-CQSZACIVSA-N 343.496 4.177 0 40 EIAB CCc1cccc(C)c1NC(=O)NC[C@@H]1CCN(C)c2ccccc21 56531393 MJPHGUSJIIVVNL-KRWDZBQOSA-N 337.467 4.303 0 40 EIAB CCOc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1F 56702707 AWMGDLHNZPOOHT-UHFFFAOYSA-N 341.386 4.070 0 40 EIAB O=C(Cc1csc(-c2cccnc2)n1)N[C@@H](c1ccccc1)C1CC1 58366473 BNICDQLCDAHISF-IBGZPJMESA-N 349.459 4.015 0 40 EIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 58924423 MAFGBGBKQOLHHM-MJGOQNOKSA-N 349.434 4.330 0 40 EIAB CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCc2ccccc21 71448696 ZDHSHZCLWQFJEP-UHFFFAOYSA-N 339.826 4.143 0 40 EIAB O=C(C(=O)N(CC(F)(F)F)C1CC1)c1ccc(-c2ccccc2)cc1 71884225 VGZDMATXWIYTFX-UHFFFAOYSA-N 347.336 4.090 0 40 EIAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CCC1 72215514 AGUGXOKHGLNMQQ-INIZCTEOSA-N 331.460 4.190 0 40 EIAB Cc1cc(CSCc2cc(Cl)c3c(c2)OCCCO3)no1 72230525 HGGSUUKDNMWVSI-UHFFFAOYSA-N 325.817 4.231 0 40 EIAB Cc1noc(C)c1[C@@H](C)Nc1nccc(Oc2ccc(F)cc2)n1 72946701 YPIRQVVDDOFWHF-SNVBAGLBSA-N 328.347 4.186 0 40 EIAB C[C@H](c1ccco1)N(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 86339917 JIQBDEAMHAEEMV-CJNGLKHVSA-N 326.396 4.038 0 40 EIAB C[C@H]1C[C@H](N[C@H]2CCO[C@]3(CCSC3)C2)c2ccsc2S1 90542933 BQMRMHBEIDYWOT-LMRQPLJMSA-N 341.567 4.318 0 40 EIAB COc1cccc(C2=N/C(=C/c3ccc4ccccc4c3)C(=O)O2)c1 97987549 FWTVQSUFZOZIPG-XDHOZWIPSA-N 329.355 4.193 0 40 EIAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1COc1ccccc1F 100886354 RWGLFPMJGRSQIX-XDQVBPFNSA-N 347.459 4.282 0 40 EIAB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 102605285 UCKUUTXBBIIZEL-AUUYWEPGSA-N 346.390 4.245 0 40 EIAB Cc1sc(NCc2ccccc2)nc1-c1ccc2c(c1)CC(=O)N2C 162418367 BZZKFMXEAAQDBI-UHFFFAOYSA-N 349.459 4.250 0 40 EIAB Cc1c(C(N)=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 216948034 ZCOWZWOTZKWTDJ-UHFFFAOYSA-N 333.218 4.404 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc2ccccc12 222873334 YVUCNEMNLJPEQO-NRFANRHFSA-N 349.430 4.322 0 40 EIAB COc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@@H]2C 223233979 NFHFJVKTAIHABL-LBPRGKRZSA-N 329.396 4.279 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)CCCOc1ccccc1 223776370 MPQRXTGUNHNITH-UHFFFAOYSA-N 341.451 4.164 0 40 EIAB Cc1nc(NC(=S)NC2CCCCCC2)ccc1Br 224040382 LXBAENHJODYMCV-UHFFFAOYSA-N 342.306 4.162 0 40 EIAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 224981250 ABXZTCGPBYYNAL-UHFFFAOYSA-N 335.494 4.186 0 40 EIAB CCc1ccccc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225044391 VXIUJPUAWQTEFD-UHFFFAOYSA-N 325.433 4.227 0 40 EIAB COc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(C)cc3)c2N)cc1 225182207 JQLHQIZJZSXLPF-UHFFFAOYSA-N 347.340 4.457 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NC2CCCCC2)cc1Cl 225279153 FKPDVEIKCYSNSC-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB O=C(Cc1ccccc1Cl)NCCSCc1ccccc1F 225437023 WNAGLDZWBQRGPD-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1C 225634908 GTJZHTGEMRMNEI-QGZVFWFLSA-N 337.463 4.380 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3C)cc2c1 226036545 CYLNTNIPICRGQK-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCC[C@H](C)C1 226329954 PQXDAANCHYDLGE-ZDUSSCGKSA-N 341.430 4.205 0 40 EIAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCNCC2)n1 257267757 MIQAXQXHPLDFNM-UHFFFAOYSA-N 334.385 4.467 0 40 EIAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN(CC3CC3)C2)n1 257289446 PYQFRBGQRXZTLM-MRXNPFEDSA-N 342.512 4.488 0 40 EIAB CCOc1ccccc1NC(=O)NCc1ccc(-c2ccoc2)nc1 390831834 VIPZCOBFJRRCKL-UHFFFAOYSA-N 337.379 4.062 0 40 EIAB CCn1c2c(s/c1=N\C(=O)c1ccc(C)cc1)CCc1ccccc1-2 408560476 CVNOHLOIVUMPJT-DQRAZIAOSA-N 348.471 4.385 0 40 EIAB CCOC(=O)C1=CNc2cc(-c3ccccc3)nn2[C@@H]1c1ccccc1 409024840 ICJIJWIJGZNLTP-HXUWFJFHSA-N 345.402 4.012 0 40 EIAB CCOC(=O)CCCC(=O)c1ccc(Br)c(Cl)c1 575362243 PJTNMWGOYUXYEO-UHFFFAOYSA-N 333.609 4.019 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(O)nc(C2CC2)c1 585128207 VTZZFPIWLDJFIA-UHFFFAOYSA-N 340.276 4.075 0 40 EIAB CN(C(=O)c1oc(C2CC2)nc1C(F)F)c1ccc2ccccc2n1 1121110163 BZODOXTZXFBHIQ-UHFFFAOYSA-N 343.333 4.314 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1F 79450 IPGPRELFUDYICI-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB O=C(CSc1ccccc1)N1CCC(Cc2ccccc2)CC1 577924 WRKUVUQIFVHNMH-UHFFFAOYSA-N 325.477 4.260 0 40 EIAB COc1ccc(-c2nsc3c(N4CCCCCC4)ncnc23)cc1 1370757 WXQCYEMRVQPNLF-UHFFFAOYSA-N 340.452 4.142 0 40 EIAB CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(O)c1 3242936 XZXZDJOLACGLHM-OVCLIPMQSA-N 329.783 4.327 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Sc2ncnc3ccccc23)cc1 3245834 PVTIAUFXFPBHAD-ZDUSSCGKSA-N 337.448 4.312 0 40 EIAB Cc1ccc(OCCC(=O)OCc2nc3ccccc3s2)cc1 3248881 NTFOPFIOFYTTLZ-UHFFFAOYSA-N 327.405 4.117 0 40 EIAB O=C(CCCc1nc2ccccc2s1)NCc1ccc(F)cc1 3551678 YGXPZUAHCSTCAN-UHFFFAOYSA-N 328.412 4.075 0 40 EIAB CCCNC(=O)OC[C@]12CO[C@H](c3ccco3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 4026283 RHJNFYSWNCBAHO-MIGDXVIRSA-N 347.455 4.322 0 40 EIAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1 4704366 LAUFJGUGOUCVFL-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB Cc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1 5269984 NKJYPJDPZIYCGR-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB O=C(CCC1CCCC1)NCc1cc(Cl)c2c(c1)OCCCO2 7718247 PNEFJLUOQOPPKX-UHFFFAOYSA-N 337.847 4.088 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(Cl)c1 7775687 SHQFYJJPSDRIAR-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB COc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 7944504 IXKATSAWCWCKKR-UHFFFAOYSA-N 333.387 4.450 0 40 EIAB CCOc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 8738786 IUWHYTYUDJGENR-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CCCCn1nc(C)c2c(C(F)F)cc(-c3cnn(CC)c3)nc21 8782533 KFZDJZWTIAZJPE-UHFFFAOYSA-N 333.386 4.361 0 40 EIAB c1ccc(CCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 8990700 XENNOQKUALGKFB-UHFFFAOYSA-N 345.431 4.119 0 40 EIAB COc1ccccc1-c1nnc(S[C@H](C)c2ccc(F)cc2)n1C 9050487 RBEYEMUQAHULNE-GFCCVEGCSA-N 343.427 4.483 0 40 EIAB CC(C)CC[C@]1(CC(=O)NCc2cccnc2)CCO[C@@H](C(C)C)C1 9423642 WKIGNWKCNUIPNI-CTNGQTDRSA-N 346.515 4.346 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 9550080 YHCUAXBLSTUSMH-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB COc1ccc(C(=O)O)cc1OCc1ccc(Cl)c(Cl)c1 11860544 XKOLLFYIRWEBFF-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB O=C(CSc1nccc2ccccc12)Nc1c[nH]c2ccccc12 12148315 QKQVQYWGBAEVAW-UHFFFAOYSA-N 333.416 4.447 0 40 EIAB C[C@@H](Nc1cccc(F)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 12634435 GOXFUBOUYJVJEZ-OAHLLOKOSA-N 341.430 4.255 0 40 EIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc[nH]c1=S 12748579 CPVJIORHPIDGRX-UHFFFAOYSA-N 342.420 4.428 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(F)cc1)C1CC1 12931713 CDPYIAAKEXIOOR-UHFFFAOYSA-N 346.833 4.391 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 14209165 BSFPQCWVDYFCDI-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 14258023 GMZOXDGNJSPJFM-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB COc1ccccc1CN1CCC[C@H](c2nc(C)n3ccccc23)C1 19240682 ZNVZFNPGXXYOCN-SFHVURJKSA-N 335.451 4.031 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 20039377 BIYJSCLVYKLMSJ-OAHLLOKOSA-N 327.424 4.075 0 40 EIAB CC1CCN(C(=O)c2cccc(NC(=O)NC3CCCCC3)c2)CC1 20113013 QNGLQVYLMISNJZ-UHFFFAOYSA-N 343.471 4.013 0 40 EIAB O=C(NC1CC1)c1cccc(NC(=O)c2occc2-c2ccccc2)c1 21073682 GMONPQQGXBALAW-UHFFFAOYSA-N 346.386 4.091 0 40 EIAB O=C(Nc1nncs1)c1ccccc1SCc1cccs1 21214588 IXCURANVOIYTFE-UHFFFAOYSA-N 333.463 4.144 0 40 EIAB C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccccc1 21540798 SREPGZYHVOGORT-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB O=c1c2scc(-c3ccccc3)c2ncn1Cc1ccc(F)cc1 23126383 MJVKNJUGKHIIMV-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB COCCNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccc(C)cc12 27977111 IUCDFGMBWOZLAB-UHFFFAOYSA-N 348.446 4.203 0 40 EIAB Cc1ccc(-c2nc(CN3CCO[C@H](c4ccccc4)C3)cs2)o1 29718903 TXPHMKKRSCXVGE-SFHVURJKSA-N 340.448 4.285 0 40 EIAB Nc1ccccc1SCC(=O)Nc1cc(Cl)ccc1Cl 32692269 BHLOKBHRSFDIHB-UHFFFAOYSA-N 327.236 4.306 0 40 EIAB C[C@H]1Cc2ccccc2N1C[C@H](O)COc1ccc2ccccc2c1 35083481 LJBKFUJLECHTRB-JXFKEZNVSA-N 333.431 4.031 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2cccs2)C1 40283148 OQEIHFVKDPYIJU-GFCCVEGCSA-N 331.347 4.336 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=S)NCc1ccco1 44195156 OFFVTGAGGKDBRT-UHFFFAOYSA-N 339.258 4.146 0 40 EIAB CC1(C)Oc2ccc(NC(=O)Nc3ccccc3Cl)cc2NC1=O 46089227 RUEWGLUNHMPYDF-UHFFFAOYSA-N 345.786 4.094 0 40 EIAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(C(C)(C)C)no1 48333184 ZSLWANZPKCNBFS-VIFPVBQESA-N 347.419 4.145 0 40 EIAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)n2)cc1 49468031 CYUWOCXZYSXNAI-UHFFFAOYSA-N 334.423 4.485 0 40 EIAB CC(C)c1nc(CN(C)Cc2ccccc2N2CCCC2)cs1 51119750 FKBIUVBQFQZDPO-UHFFFAOYSA-N 329.513 4.499 0 40 EIAB c1coc(-c2cc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)no2)c1 52611737 WPLZUKGXCZBTLW-CQSZACIVSA-N 349.390 4.455 0 40 EIAB CCCCCC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 55831757 FOJMLPIUFVLNRP-UHFFFAOYSA-N 342.414 4.275 0 40 EIAB COc1cccc2c1N(C(=O)c1sc(C(C)C)nc1C)CCC2 58354621 OOWGDNPMNBUKQE-UHFFFAOYSA-N 330.453 4.177 0 40 EIAB Cc1ccc2oc(C(=O)N(C[C@H]3CCOC3)c3ccccc3)cc2c1 58383274 FMJPCIRQHRJMNO-MRXNPFEDSA-N 335.403 4.425 0 40 EIAB Cc1ccc(-c2csc3ncnc(N[C@@H](C)C(C)(C)O)c23)cc1 58407151 RWWLKXYPECIENS-LBPRGKRZSA-N 327.453 4.238 0 40 EIAB Cc1cc(C)cc(NC(=S)N(Cc2cccc(O)c2)C2CC2)c1 60432981 VCAKLRFRDLFDNH-UHFFFAOYSA-N 326.465 4.370 0 40 EIAB O=C(NOCc1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1 65987951 FRBPAIQPMMWJDN-UHFFFAOYSA-N 349.434 4.189 0 40 EIAB c1csc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)c1 67285183 GNDPZPRTNASUKU-UHFFFAOYSA-N 332.432 4.021 0 40 EIAB Cc1csc(-c2cccc(NC(=O)NCc3csc(C)n3)c2)n1 69557649 ZZTHRXOSPNSPSY-UHFFFAOYSA-N 344.465 4.205 0 40 EIAB CC[C@H](C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1)c1ccccc1 72232243 IYASMZHQYJQLQN-IRXDYDNUSA-N 341.455 4.093 0 40 EIAB O=c1ccn(Cc2csc(COc3ccccc3)n2)c2ccccc12 72294837 JWEYQXVKRNUSBQ-UHFFFAOYSA-N 348.427 4.085 0 40 EIAB C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 76632204 ILZBFBAKWIZNRP-NSHDSACASA-N 345.805 4.059 0 40 EIAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(F)c1 79072101 VEKUYXZXJWSZDD-KRWDZBQOSA-N 327.403 4.088 0 40 EIAB CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C 95095407 IRVKKEOAJDSQOD-GDBMZVCRSA-N 329.444 4.345 0 40 EIAB Cc1ccccc1Cc1nnc(CN2CCC[C@@H]2c2ccc(O)cc2)o1 95415694 SSXCETGLYPEIHZ-LJQANCHMSA-N 349.434 4.012 0 40 EIAB CC1(CNc2cccc(C[S@](=O)C3CCCCC3)c2)CCOCC1 97113517 UZRQLORSCBPYGD-XMMPIXPASA-N 349.540 4.497 0 40 EIAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@H](C1)N2C 100923378 GNYZYYFKNNJUQR-RTBURBONSA-N 326.484 4.296 0 40 EIAB O=C(NCc1ccco1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103537267 CTNCFIVPMFMTPP-WZGNDQMWSA-N 335.447 4.434 0 40 EIAB Cc1csc(C(=O)Nc2sccc2-c2nc(C3CC3)no2)c1 206891636 PXXHENAEGHHSQV-UHFFFAOYSA-N 331.422 4.298 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224183741 STCYWDFGQUBWLW-GOSISDBHSA-N 347.842 4.001 0 40 EIAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccccc1Cl 224642821 XPMBGDCOVAWCAB-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB COc1ccccc1O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225085875 RKZMXZUNJLBVFZ-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1cc(C)c(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 225648299 RRDDJELPZQZRMU-UHFFFAOYSA-N 336.479 4.191 0 40 EIAB Cc1noc(C)c1-c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)n1 257243560 IHNIAMSMPXKXBW-IBGZPJMESA-N 347.418 4.331 0 40 EIAB CC(C)Cn1cc(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cn1 331681154 ZEBVMRRALYYHKN-HXUWFJFHSA-N 340.471 4.125 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Cl)c(C)c1 409182223 JMSDKJYFCLTENH-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB O=C(c1cc[nH]c1)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105660 ZQNSXQPLDPBPEY-UHFFFAOYSA-N 346.430 4.395 0 40 EIAB CC(C)N1CCC(=O)c2cc(Br)cc(Br)c21 1772715224 AWEKELIKQVWUFK-UHFFFAOYSA-N 347.050 4.013 0 40 EIAB CCCC[C@@H](CC)CN1C(=O)c2cc(Br)sc2C1=O 1776010937 ILZAUTUHQHZKME-SECBINFHSA-N 344.274 4.323 0 40 EIAB CCC(=O)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 560715 LKBJTJDDMAQNAD-UHFFFAOYSA-N 346.430 4.213 0 40 EIAB c1nc(Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 1106298 BIUCQDPYXQWFPZ-UHFFFAOYSA-N 339.420 4.085 0 40 EIAB O=C(c1ccc(Oc2ccccc2)cc1)c1nc2c(n1O)CCCC2 2357790 HKIAWXJYOHNAPJ-UHFFFAOYSA-N 334.375 4.023 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)c(OC)c1 2441685 GNDGCWBAHINUBZ-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2ccccc2c1 3330251 NGZFHRAZFLSEQS-HXUWFJFHSA-N 348.446 4.390 0 40 EIAB Cc1cc(C)cc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1 4357743 LPUGJRZEEYVUOV-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB COc1ccc(-c2onc3ccc(Br)cc23)cc1OC 4776154 KDLHHJXLUVHSEE-UHFFFAOYSA-N 334.169 4.275 0 40 EIAB Cc1ccccc1-n1nc(SCC(=O)c2ccc[nH]2)sc1=S 5290045 HTYWXQPKJRABJE-UHFFFAOYSA-N 347.490 4.275 0 40 EIAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(O)c1 5376206 LGQNPTYNMYTZNH-ZSOIEALJSA-N 331.780 4.287 0 40 EIAB COc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)cc1 5559036 MDDKDSRIMDKJKP-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB Fc1ccccc1NC(=S)N1CCC(Cc2ccccc2)CC1 6079005 ATBPWKQEVUMERB-UHFFFAOYSA-N 328.456 4.477 0 40 EIAB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccnc1 6962583 MCMUQELTSSOFDM-LJQANCHMSA-N 334.448 4.186 0 40 EIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 7003177 AECRKWDWGGQOHJ-QGZVFWFLSA-N 349.478 4.067 0 40 EIAB Cc1noc(C)c1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 7980114 XVYMQOBNPZLZJT-VIFPVBQESA-N 349.843 4.083 0 40 EIAB Cc1ccc(NC(=O)Cc2noc3ccccc23)c(Br)c1 8187288 KGOUPNSQJAWIPG-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB O=C(NCc1ccccc1Cl)c1ncc(-c2ccc(F)cc2)o1 9321925 VJZSDDZGCJEEHN-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB O=c1c(SCc2cccc(Cl)c2)nccn1-c1ccc(F)cc1 9639635 FSQRINOLDGILBS-UHFFFAOYSA-N 346.814 4.317 0 40 EIAB CC(=O)N(Cc1cccnc1)c1nc2c(C)cc(Cl)cc2s1 10020865 FHLZJYVOOOSPBE-UHFFFAOYSA-N 331.828 4.206 0 40 EIAB Cc1cc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1F 10366935 GHFOQQOPZHUVSL-CYBMUJFWSA-N 326.371 4.441 0 40 EIAB Cn1/c(=N\C(=O)c2ccc(Cl)s2)sc2cccc(Cl)c21 12180820 NDMUCNVFBSKZIP-DTQAZKPQSA-N 343.260 4.349 0 40 EIAB COc1ccc2[nH]c(=O)c(CNc3cccc(Cl)c3C)cc2c1 12493265 IXWUEYSMFXLCIW-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB COc1ccccc1CC(=O)N(Cc1ccccc1)c1ccccc1 14161210 KSVLZDKUGOVREV-UHFFFAOYSA-N 331.415 4.471 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2cc(F)ccc2OC)c(OC)c1 15367108 FEOJNZMEHAYNIL-GOSISDBHSA-N 345.414 4.189 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 15608808 PPUOYEAUSBTRFY-CYBMUJFWSA-N 344.842 4.050 0 40 EIAB CCC(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 19498688 NAQOKGSBOOKIBH-INIZCTEOSA-N 333.435 4.346 0 40 EIAB Cc1cc(-c2cncnc2)cc(C2CCN(Cc3ccccc3)CC2)n1 19687623 MKVSFHRIDKURFB-UHFFFAOYSA-N 344.462 4.227 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 21117130 UWNGNUGGPXMHDF-AUUYWEPGSA-N 341.476 4.370 0 40 EIAB C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1Cl 25396756 LWXIXNVGLIGSDI-SNVBAGLBSA-N 348.233 4.081 0 40 EIAB CC(C)c1noc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)n1 25461163 YDBKQVLHMDIBOQ-IBGZPJMESA-N 333.435 4.341 0 40 EIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(C2CC2)on1 25675353 BMCRSSRXXAGYLV-UHFFFAOYSA-N 344.374 4.348 0 40 EIAB c1ccc2c(c1)OCC[C@@H]2NCc1ccc(OCc2ccncc2)cc1 30545236 ZJJSGEYAJNUMOP-NRFANRHFSA-N 346.430 4.274 0 40 EIAB Cc1nn(C)c2c(Nc3cccc4ncccc34)nc(C(C)C)nc12 32501985 QIQGSCRCHXDXFQ-UHFFFAOYSA-N 332.411 4.087 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc(-n2cccc2)cc1 38752304 PEOLJRMEIAIZAE-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)CC1 40142214 NYAVASYEUMYARC-GOSISDBHSA-N 339.464 4.311 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCC[C@@H]1c1ccsc1 40540783 NFTMGLPTSHOFEV-MRXNPFEDSA-N 342.468 4.112 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)Nc1nnc(-c2ccccc2)s1 48345774 SFXAQPNMDBKUIT-UHFFFAOYSA-N 348.431 4.176 0 40 EIAB Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)Cc2ccc(O)cc2)c1 56771212 CXGZNKKMPTUPET-OXQOHEQNSA-N 338.451 4.178 0 40 EIAB CCOC1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 58299688 GXTNASLPKXTTBC-UHFFFAOYSA-N 333.428 4.195 0 40 EIAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc2c(c1)OCCCO2 61131624 CLDWFSKCVNXFTJ-UHFFFAOYSA-N 346.452 4.163 0 40 EIAB CC(C)Oc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1 61997172 WGSSWFMUJUWPFY-UHFFFAOYSA-N 328.412 4.191 0 40 EIAB Fc1cccc(Cl)c1Cc1nnc(SCc2cccnc2)o1 66257630 UKSWEJYMNSSSPQ-UHFFFAOYSA-N 335.791 4.140 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)cc1C 68380352 UPONKCKJMNBBRS-AZUAARDMSA-N 348.446 4.093 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(N2CCCCC2)c(N)cc1Cl 72229055 XJOFHQRGHWXLGM-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB CC(C)c1ocnc1C(=O)Nc1ccc(OCc2ccncc2)cc1 95394716 HWSJNJTVEKHAHU-UHFFFAOYSA-N 337.379 4.024 0 40 EIAB Cc1nc(C)c(COC(=O)c2ccc(N3CCCCC3)cc2)s1 95405763 PURDUJWWAOXIQE-UHFFFAOYSA-N 330.453 4.107 0 40 EIAB CC(C)n1cc([C@@H](C)NC[C@H]2CCCN(Cc3cccs3)C2)cn1 95421353 OQAGHVNAUXWCNE-IAGOWNOFSA-N 346.544 4.088 0 40 EIAB C[S@@](=O)Cc1cccc(NCc2sccc2Br)c1 97378305 XRLSPOHDLBEZAJ-SFHVURJKSA-N 344.299 4.001 0 40 EIAB Cc1csc(Cc2nc(-c3ccc4c(c3)[C@H](C)C(=O)N4)cs2)n1 103118765 NEEMRKABEMGCHF-JTQLQIEISA-N 341.461 4.221 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Sc2nncs2)cc1 106527479 WAOSZSOUYULJEW-RWMBFGLXSA-N 345.493 4.454 0 40 EIAB O=C(c1ccnc(Cl)c1F)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 108147285 SXDLYHISRGTLHZ-IGQOVBAYSA-N 336.838 4.305 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(F)cc1 113970241 YPBVHLVTGIMCRP-CRAIPNDOSA-N 329.415 4.477 0 40 EIAB COC(=O)C=C1CCC2(CC1)CCc1cc(Br)ccc12 148248271 MWQPAJZYRMDCLA-UHFFFAOYSA-N 335.241 4.307 0 40 EIAB Cc1cccc(OCC(=O)NCCSc2ccc(Cl)cc2)c1C 222815602 BECWOHFJKZISFI-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)cc1OC 222945723 JIEJCQPTVVMIHW-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB CN(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1F 223281892 GLWHISKRJZLZQV-UHFFFAOYSA-N 337.847 4.371 0 40 EIAB Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(Cl)c1 225000092 GFJNUGGNGOYVCQ-UHFFFAOYSA-N 342.870 4.228 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2)c1 225765850 GWVVAHIBBWLIKY-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CC[C@@H](C)n1ncc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C 390834061 RCCKKAOZTFNTBG-MRVPVSSYSA-N 341.242 4.304 0 40 EIAB O=C1N/C(=C\c2cccc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 408943114 XZQJCLKMIJJNNC-DHDCSXOGSA-N 347.201 4.086 0 40 EIAB O=C(Nc1ccc(-c2nncs2)cc1)N[C@@H]1CCC12CCCC2 685938850 VWOILWQLJNKYNA-CQSZACIVSA-N 328.441 4.049 0 40 EIAB CC[C@H](c1ccc(F)cc1)c1nnc([C@H]2COc3ccccc3C2)o1 1615546493 OQEJXTZFUNZAFJ-NVXWUHKLSA-N 338.382 4.469 0 40 EIAB Cc1cc(C)c(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c(C)c1 252294 KLXUBLHRABVYCM-MRXNPFEDSA-N 333.435 4.019 0 40 EIAB Fc1ccccc1NC(=S)N1CCc2[nH]c3ccccc3c2C1 351345 GQOSQRULEOVIBP-UHFFFAOYSA-N 325.412 4.062 0 40 EIAB biogenic Clc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(Cl)c1 530863 DEPPPXXRFXDTMI-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1OC 558567 HVFBVHQFYVHMHN-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB C[C@H]1C[C@H](C)CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 1246606 ALSKJBPWZSRVLV-BZSNNMDCSA-N 336.479 4.133 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)C1CCCCC1 1377855 HCJAFQFRCUIHKE-ROUUACIJSA-N 346.540 4.330 0 40 EIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 3504307 KZZAAUFVWQGFNC-MRXNPFEDSA-N 325.408 4.220 0 40 EIAB Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3515430 KPMGVRRDMBGLAO-UHFFFAOYSA-N 331.415 4.280 0 40 EIAB CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)s1 3544084 VHADLVJROYFORK-JTQLQIEISA-N 339.511 4.078 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 4063548 NCMZQTLCXHGLOK-KPKYYQPRSA-N 330.468 4.450 0 40 EIAB in-vitro O=S1(=O)c2ccccc2N=NN1Cc1cc(Cl)cc(Cl)c1 4105271 YFHQSOONYZEOJS-UHFFFAOYSA-N 342.207 4.197 0 40 EIAB Fc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1 4354537 MQCNAWPUYFBSEB-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1ccccc1Cl 5001235 DZXZNRKFHNRLRY-UHFFFAOYSA-N 330.815 4.247 0 40 EIAB Cc1cccc(NC(=O)CSc2ncnc3sc(C)cc23)c1 5017198 FGBXQLLLVWZDHD-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB O=c1cc(CN[C@@H]2CCCc3ccccc32)c2cc3c(cc2o1)CCC3 6552450 JDVWASOULQRXKN-OAQYLSRUSA-N 345.442 4.449 0 40 EIAB O=C(NCc1ccccc1Cl)c1cc(F)ccc1Br 8076899 ATWZNMQTQLDGNP-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB CN(CC(=O)Nc1c(F)cccc1F)Cc1ccc2ccccc2c1 8127401 GZODTGLRZFILLW-UHFFFAOYSA-N 340.373 4.189 0 40 EIAB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1 8715500 GCDPPKICRNTVAN-UHFFFAOYSA-N 325.437 4.219 0 40 EIAB CCCOc1nn(CCC)cc1C(=O)Nc1ccccc1SC 9070968 JQALAAUGABNTOE-UHFFFAOYSA-N 333.457 4.056 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9421095 PDNKWZNAHZCVBJ-INIZCTEOSA-N 325.799 4.194 0 40 EIAB CCc1ccc(N2C[C@H](c3nc(-c4ccc(C)cc4)no3)CC2=O)cc1 10336565 JZTQTFFFAYFEEM-QGZVFWFLSA-N 347.418 4.128 0 40 EIAB CC(C)(C)C(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12 12488396 DGWVBWIKWXEZDQ-UHFFFAOYSA-N 348.402 4.069 0 40 EIAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 13131552 ABPWFENKLHEUGN-OALUTQOASA-N 334.423 4.132 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)Cc2cn(CC)nc2C)cc1 13569114 GJEGOGYBKMJCLY-UHFFFAOYSA-N 348.494 4.371 0 40 EIAB O=C(Nc1ccc(C(=O)Nc2cccc(Cl)c2)s1)c1ccco1 14198487 SJCGBQUUWPTRLP-UHFFFAOYSA-N 346.795 4.499 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(OCC)c3ncccc23)c1 15840839 VDVDJZROXBVMRF-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB CCc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)c(O)n1 16777329 LLCPXVDEMQQDIM-UHFFFAOYSA-N 340.814 4.127 0 40 EIAB Cc1ccc2nc3sc(Nc4ccc(Cl)cc4)nn3c(=O)c2c1 17121823 JZMZWXNWUOOKAM-UHFFFAOYSA-N 342.811 4.010 0 40 EIAB O=C(O[C@H](C(=O)c1ccco1)c1ccco1)c1ccc(Cl)cc1 20413120 MZJNSUYYSMLRLA-INIZCTEOSA-N 330.723 4.307 0 40 EIAB Cc1noc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 22359147 DGAHYIALGUSFOL-UHFFFAOYSA-N 346.427 4.036 0 40 EIAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 22468258 HMDSUZFPPIMKQG-NSHDSACASA-N 336.794 4.235 0 40 EIAB CN(Cc1ccsc1)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25065525 XMZWUZLSTRYVCZ-UHFFFAOYSA-N 331.828 4.064 0 40 EIAB O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(Cl)c1Cl 25661684 JBOBXFCJIMPVPS-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB Cc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1 27987752 HNFALROAOPUETG-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1 28733554 JDJKSVHTDMVLBN-UHFFFAOYSA-N 348.246 4.049 0 40 EIAB CCOCCCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613426 JQEUWYZLCOHDAQ-UHFFFAOYSA-N 339.361 4.309 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1c1cccs1 36688783 SBJRKPCTVQQJGW-LLVKDONJSA-N 326.343 4.139 0 40 EIAB CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(C(C)(C)C)[C@@H](Cl)C1=O 38337827 FUJAFOQTUOUJSK-IINYFYTJSA-N 325.663 4.308 0 40 EIAB Cc1cc(=O)[nH]c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc12 49031079 DCKQIJMNJKDOKC-UHFFFAOYSA-N 346.308 4.108 0 40 EIAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1)C3 54278170 XHYMWPFGXGGRJV-UHFFFAOYSA-N 349.430 4.324 0 40 EIAB Clc1cncc(N2CCC(c3nc4ccccc4s3)CC2)n1 54551881 MXCOBKQFULLXKV-UHFFFAOYSA-N 330.844 4.124 0 40 EIAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@H]2CCCC[C@@H]21 58014237 UIQMSGQVYZXARC-IXDOHACOSA-N 332.513 4.066 0 40 EIAB COc1ccc(-c2cnc(C[S@@](=O)Cc3ccccc3C)o2)cc1 69876231 FURSRCRQMSQQPP-XMMPIXPASA-N 341.432 4.108 0 40 EIAB COc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1OC 71861974 JPQYUQHFBWEKSH-CQSZACIVSA-N 341.451 4.492 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)cnc1N1CCCC1 72218798 DNEVHVHSCYLKCP-MRXNPFEDSA-N 331.460 4.062 0 40 EIAB CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccco2)c2ccccc21 76023063 KMIZFUHHWHOJCU-UHFFFAOYSA-N 342.395 4.072 0 40 EIAB Cc1nccn1-c1ncccc1NCc1ccc(Cl)cc1Cl 89735813 DSZQKLPSDKLLKJ-UHFFFAOYSA-N 333.222 4.495 0 40 EIAB CO[C@H](CNC(=O)NCc1cccc2ccccc12)c1ccccc1C 96105196 VAEDQPNDEXRVRE-OAQYLSRUSA-N 348.446 4.335 0 40 EIAB Cc1cccc2c1CCN2C(=O)c1cccnc1Nc1cccc(F)c1 96402478 PXNWNTVRQFXYRM-UHFFFAOYSA-N 347.393 4.476 0 40 EIAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C1CCCCC1 102681919 RIZSTACIMQUWKD-FVCZOJIISA-N 333.431 4.177 0 40 EIAB CC(=O)OC[C@]12CO[C@H](CCc3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105363857 FVFIDPRIGRPKRH-HFQQBTNDSA-N 342.479 4.416 0 40 EIAB biogenic CC(=O)c1csc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 106605839 AUBPAYUHPFRVPT-UHFFFAOYSA-N 343.326 4.144 0 40 EIAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1cccnc1 107332129 DTKGIZRBYWMKMO-QSOKESPWSA-N 337.467 4.044 0 40 EIAB Cc1cc(C(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)c(C)o1 207964358 YAVDTZNGZSWADQ-INIZCTEOSA-N 347.461 4.031 0 40 EIAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1C 214073092 HSSDIOFLUWLCEW-GZTJUZNOSA-N 339.416 4.240 0 40 EIAB COc1ccccc1CN(C)C(=O)COc1cc(C)ccc1C(C)C 223418672 YQBBHPBRXWOSTN-UHFFFAOYSA-N 341.451 4.164 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 224190415 PEOMCZUXEPDASV-MOPGFXCFSA-N 349.459 4.469 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 224223006 RPRDEXMFYCPLRS-RBUKOAKNSA-N 349.459 4.469 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2OC)c1 225039167 IAJRABDUHPWOLQ-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C)cn2)cc1 225501666 NQHBHBFLTXLNFD-KRWDZBQOSA-N 343.496 4.472 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1 225639714 WKWMPDZSPDAYMN-CYBMUJFWSA-N 334.872 4.402 0 40 EIAB CCc1ccc(NC(=S)N[C@@H](C)COc2ccccc2OC)cc1 225785918 UMGQUKNVQQTJTK-AWEZNQCLSA-N 344.480 4.012 0 40 EIAB COc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225917858 ICJJRNHOZAGZDG-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB COC(=O)c1c(C)n(CCCCc2ccccc2)c2ccc(O)cc12 226761085 DTUXWLXJKDCPFG-UHFFFAOYSA-N 337.419 4.465 0 40 EIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccccc2O)S1 408810995 QICWWCOIKBGLAZ-UHFFFAOYSA-N 345.831 4.117 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@H]1CCC[C@@H]1c1ccccc1 565873768 ZXGFGKFVJPDTOP-MOPGFXCFSA-N 345.446 4.277 0 40 EIAB CC(C)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 2086894000 FHFMVXISDFDPBA-UHFFFAOYSA-N 332.451 4.280 0 40 EIAB Cc1cccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)c1 365529 RRWBNJXRKVMZNT-UHFFFAOYSA-N 344.842 4.287 0 40 EIAB COC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4029853 CEZKLEHYJURHTB-LXLNTTORSA-N 349.515 4.115 0 40 EIAB biogenic COc1ccc(CCNC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1OC 4350082 UAUBDALLXPVFIX-BPQIPLTHSA-N 347.499 4.071 0 40 EIAB CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 4370861 LCWNXHLYUNJFIP-CYBMUJFWSA-N 341.842 4.325 0 40 EIAB COc1c2occc2c(OC)c2c(=O)cc(/C=C\c3ccncc3)oc12 4824975 MJNICEUQNNQEBA-ARJAWSKDSA-N 349.342 4.122 0 40 EIAB COc1ccc2nc(SCC(=O)c3cc(C)sc3C)[nH]c2c1 5165324 UEOUMBGJHKKNKV-UHFFFAOYSA-N 332.450 4.225 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)c2ccccc2C)o1 5240193 ONOYXRYMVYCUGT-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB COc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC 5560025 CTRLCFNTVDDDJD-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)cc1C 5846785 GQRQDSXKILJKFE-OAHLLOKOSA-N 333.387 4.280 0 40 EIAB Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 5865815 HYULSAPJGDHJCO-CYBMUJFWSA-N 344.484 4.211 0 40 EIAB COc1ccc(CCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 5903435 IYQZGUKLZNSRGF-NTEUORMPSA-N 337.463 4.365 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C(C)C 6347838 UJCSTJGMVBKHTC-UHFFFAOYSA-N 342.464 4.499 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)S[C@H](C)C(=O)N2 6678868 JAEXTRAWXLTORX-RDTXWAMCSA-N 349.459 4.344 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@@H]21 6789439 DAVJIYRGNCDSPN-NBMJBFSESA-N 335.447 4.376 0 40 EIAB COc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8296930 NJWISHJYKQTSGZ-UHFFFAOYSA-N 336.416 4.005 0 40 EIAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCCCCC3)ccc21 8325570 UNBWFXQMAAUSDY-HXUWFJFHSA-N 349.430 4.157 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 8427784 FCFYIWZCENMUFN-SFHVURJKSA-N 336.479 4.277 0 40 EIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc2ccccc12 9676811 UIIGHQQYGAANNO-UHFFFAOYSA-N 342.398 4.295 0 40 EIAB O=C(Nc1ccc(O)c2ccccc12)c1ccc(Cn2cccn2)cc1 10321148 ABJUEXPNYBNLJP-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1 12772425 MAPWXQIKEDYIQH-HXUWFJFHSA-N 334.419 4.083 0 40 EIAB C[C@H](O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 12894810 VWNZBPADPDNNDJ-JTQLQIEISA-N 330.434 4.177 0 40 EIAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709458 JQQFYLLPMMJYNW-CQSZACIVSA-N 348.402 4.204 0 40 EIAB Cc1ccc(-c2csc(NC(=O)CN3C[C@@H](C)C[C@@H](C)C3)n2)cc1 14075319 BYNFQBLCVCLNCF-GASCZTMLSA-N 343.496 4.035 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc2o1 14198818 BYACLGOSLQTXOO-UHFFFAOYSA-N 349.434 4.374 0 40 EIAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 14575400 ZMEYHMZGKPYDOI-SECBINFHSA-N 329.268 4.475 0 40 EIAB Brc1ccc(OCc2ccccc2)c(CNC2CC2)c1 16480499 VEVQXCIFIQOSPB-UHFFFAOYSA-N 332.241 4.280 0 40 EIAB O=C(Nc1cccc(Cl)c1)n1cccc/c1=N\Cc1ccccc1 16776905 ASDWBSURJTUYHY-DYTRJAOYSA-N 337.810 4.323 0 40 EIAB Fc1ccc([C@H]2CN[C@@H]3CCCN(Cc4ccccc4Cl)[C@H]23)cc1 19349127 KZXLQTLGMBGUHS-MISYRCLQSA-N 344.861 4.199 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20141448 HOGCKLNVSKFBKL-UHFFFAOYSA-N 337.375 4.090 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cc1 21704335 DHXABLXYQGPMDQ-KRWDZBQOSA-N 333.790 4.465 0 40 EIAB O=Cc1cccc(OCc2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 22120817 VIELNVXLCUOQDK-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCOCC1 24637655 RPONAJVLIITXCA-UHFFFAOYSA-N 342.464 4.054 0 40 EIAB Cc1nc(C)c(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)s1 25459493 DZFFHNCGFCPGNZ-SSDOTTSWSA-N 336.269 4.096 0 40 EIAB COc1ccc(SCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 26896077 ABIIDQVNIXVBDI-OAHLLOKOSA-N 329.465 4.282 0 40 EIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C 27822708 MCTLWYLIZUERGK-ZDUSSCGKSA-N 345.892 4.000 0 40 EIAB COc1ccc(-c2oncc2-c2cc(OC)c(OC)c(OC)c2)cc1 28886437 SDEVLRKDBBUKIA-UHFFFAOYSA-N 341.363 4.043 0 40 EIAB COc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1 32189123 LNXIFYPCWVTCEH-UHFFFAOYSA-N 333.387 4.450 0 40 EIAB O=C(CCc1cccc(Cl)c1Cl)NCCc1cccs1 32477948 FSJSSUJSYPNKHJ-UHFFFAOYSA-N 328.264 4.346 0 40 EIAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCc1cccs1 32477957 QPAFQNPCFLUQSF-JTQLQIEISA-N 344.263 4.181 0 40 EIAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1O 32796986 WKNZMBZXCXCGHL-VXGBXAGGSA-N 344.377 4.141 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CS[C@H](C)c1ccccc1 32909442 PDJZLTZEXSJHCN-HUUCEWRRSA-N 329.465 4.367 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(C)cc1)C2 35310733 TWNAMEXKIKSNAF-AYHJJNSGSA-N 331.529 4.077 0 40 EIAB Clc1ccccc1Nc1ncnc2c1ncn2Cc1ccccc1 36357391 ACFSHOKGIYOWAP-UHFFFAOYSA-N 335.798 4.272 0 40 EIAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O 36635394 MJAHOXCGTPRYBH-AWEZNQCLSA-N 349.217 4.046 0 40 EIAB Cc1ccc(-n2ncc3c(C)nnc(SCc4ccccn4)c32)cc1 38488208 GHFYMYIIIXOYLV-UHFFFAOYSA-N 347.447 4.120 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)cc1Cl 38756511 IFCVAIPMEVHOTF-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2)CC1 40130572 PEQKZOVOBXPXOF-KRWDZBQOSA-N 339.464 4.311 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 44947910 JXAHSYGWESWXEA-IBGZPJMESA-N 341.451 4.176 0 40 EIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCCCC1 54584205 CJEQRIHQPYLWCM-UHFFFAOYSA-N 332.831 4.330 0 40 EIAB O=C(NCc1ccccc1)c1ccc(Nc2ccccc2C(=O)O)cc1 55104253 BZADWVUDTXHOJI-UHFFFAOYSA-N 346.386 4.058 0 40 EIAB Fc1ccccc1OCCSc1nncn1-c1cccc(Cl)c1 58357256 LCARQZJRJIZYDU-UHFFFAOYSA-N 349.818 4.231 0 40 EIAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cccnc1 65477254 NHXQIUSOUDFBFC-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB CCn1ncc2c(C(=O)OC3CCCC3)cc(-c3ccccc3)nc21 71892821 JEGPEASGRWPONS-UHFFFAOYSA-N 335.407 4.218 0 40 EIAB CC[C@@H](N[C@@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 71910803 VVFFZJJRJPOFBX-ZIAGYGMSSA-N 338.860 4.060 0 40 EIAB CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215313 MCCSQPBHWPWHCQ-MRXNPFEDSA-N 331.460 4.142 0 40 EIAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccccc4)cc3s2)n1 72229724 VZXZZUFGBBFDQF-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB CCOCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 72297750 NSRNTPRAEFIYBS-MRXNPFEDSA-N 342.439 4.165 0 40 EIAB CC(C)(C)OC(=O)NC1CCN([C@H]2CCCCc3ccccc32)CC1 76093769 DCUDBIBOKZFOPO-IBGZPJMESA-N 344.499 4.443 0 40 EIAB CCc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80345070 WLMCEWHBFWKOAP-WDEREUQCSA-N 342.251 4.150 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@H](C)NCCCn1ccnc1 89562805 HKHCHUJBOAYZNF-AWEZNQCLSA-N 326.469 4.056 0 40 EIAB C[C@H]1C[C@@H](c2ccsc2)CN1Cc1nnc(-c2cccs2)o1 95401050 WYOQIJNWQJCASY-WCQYABFASA-N 331.466 4.238 0 40 EIAB Cc1[nH]c2ccc(C(=O)N3CC=C(c4cncc(F)c4)CC3)cc2c1C 95456631 JJHYRGCPGWFNQW-UHFFFAOYSA-N 349.409 4.248 0 40 EIAB O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1Cl 100548594 OCGIXRYPQDPEGM-DFEHZGFQSA-N 341.838 4.356 0 40 EIAB CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)OCc1cccc(OC)c1 107353119 XHKRSZJGNUYAIM-BXWFABGCSA-N 333.472 4.028 0 40 EIAB COc1cc(C(=S)N2CCCC2)ccc1OCc1cccc(F)c1 108018560 QHVQEDSLIOMCAT-UHFFFAOYSA-N 345.439 4.185 0 40 EIAB COc1cccc2cc([C@H](C)N[C@H]3CCO[C@@]4(CCSC4)C3)oc12 108376762 AYNGBCPHNOORSQ-RFUYNDQBSA-N 347.480 4.147 0 40 EIAB CCOC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 109770018 AEGJNCZZHQVOAE-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB CC(C)CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199800122 VXDIBLBMRTZYCJ-UHFFFAOYSA-N 326.231 4.380 0 40 EIAB C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCC2 223193435 CTNWYRWEOGOLLC-QGZVFWFLSA-N 348.490 4.262 0 40 EIAB CC(C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 224265141 QZSNXKFDXOSILV-UHFFFAOYSA-N 331.843 4.201 0 40 EIAB CC(C)c1ccc(OCC(=O)N[C@@H](C)C(C)C)c(Br)c1 225210268 TYMWFHKMIGEENK-LBPRGKRZSA-N 342.277 4.112 0 40 EIAB Oc1nc(-c2ccncn2)nc2cc(-c3cccc(Cl)c3)sc12 253535203 YTSPMKJDWXFVCL-UHFFFAOYSA-N 340.795 4.174 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257311877 ULJQFESOTPYJHX-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CC[C@@H](C)CNC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 306129120 HVAWNBRRJGJYQQ-OAHLLOKOSA-N 338.455 4.160 0 40 EIAB Cc1nccc2c(NC(=O)c3cncc(C(F)(F)F)c3)cccc12 1538316281 KGDHRFXAAFELRV-UHFFFAOYSA-N 331.297 4.209 0 40 EIAB CCC(=O)c1cc(C(=O)NCC[C@@H]2CCc3ccccc32)ccc1F 1595853305 NQNXSRHHVGACPT-HNNXBMFYSA-N 339.410 4.268 0 40 EIAB CC(=O)N(Cc1c(NC(=O)c2ccccc2)sc(C)c1C)C(C)C 126505 XZNFHFQKJCZMOD-UHFFFAOYSA-N 344.480 4.374 0 40 EIAB Cc1cc2c(cc1C)CN(c1ccc(I)cc1)C2 298656 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Cc1ccc(-c2csc(NC(=O)COc3cccc(C)c3)n2)cc1 5753572 WHLDNMOSRBQBGH-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB Cc1cc(C)n2c(SCc3ccc(C(C)(C)C)cc3)nnc2n1 6172111 FLSJFPPCOMZBST-UHFFFAOYSA-N 326.469 4.331 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 6477363 GDZRGQLJFFDXRJ-UONOGXRCSA-N 346.810 4.230 0 40 EIAB CC[C@@H](C)Cc1c(C)sc2nc(CN3CCC(C)CC3)[nH]c(=O)c12 7003670 GGNLXTIIRPWPNK-GFCCVEGCSA-N 347.528 4.114 0 40 EIAB Cc1c(C(=O)OCc2nc(-c3cccs3)no2)oc2ccccc12 7047484 AIWJXXPZLGQETO-UHFFFAOYSA-N 340.360 4.210 0 40 EIAB CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc(C)ccc1O 7949856 LXBPDSXLCSFNHE-RELWKKBWSA-N 348.402 4.104 0 40 EIAB Cc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1Cl 8583097 CXSYDZXJBNZAFE-UHFFFAOYSA-N 341.846 4.158 0 40 EIAB CC(C)c1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 9187999 NGBZFLPJZVERPI-UHFFFAOYSA-N 342.483 4.447 0 40 EIAB CN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 9827737 FHVHXBZQMCMGHU-UHFFFAOYSA-N 330.387 4.001 0 40 EIAB Cc1nc(NC(=O)c2cccc3ccccc23)sc1-c1nccn1C 12520191 GCCSTYUJXMODQZ-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c(C)c1 13931406 RNMGDUUYQZIFGI-CYBMUJFWSA-N 328.437 4.080 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 14016090 SQBJRMRQKHPODE-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB COc1cc(C)c(NC(=O)C2(c3ccccc3)CCCC2)cc1OC 14117762 VHIPPISFLRCAMS-UHFFFAOYSA-N 339.435 4.463 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cccc4ncccc34)o2)cs1 14136865 GCUHZMTYLSSRJM-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB COc1ccc(CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 14700619 CQVBHHZJJHXTIG-AWEZNQCLSA-N 327.449 4.155 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(OC)ccc1OC 20036069 QGKDUQCHXGPORA-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 20049144 YLOQLEVSIBQBAC-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 21836671 IODCVGYSZQVVMD-UGSOOPFHSA-N 347.842 4.383 0 40 EIAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1cccc(F)c1 22458281 FVJJCAILLMEHAO-UHFFFAOYSA-N 349.321 4.388 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1cccc(C)c1 23530165 NBBVZCWQUSZJTP-OAHLLOKOSA-N 329.465 4.114 0 40 EIAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(-n4ccnc4)cc3)cc2c1 23890333 NPQUUQJKDZBCDZ-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CCc1ccc(N(CC(=O)c2ccccc2)C2=NCCCS2)cc1 27027360 LNYDVYGKTPYVID-UHFFFAOYSA-N 338.476 4.431 0 40 EIAB C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 28746544 TXAVSPOSPDJSCM-OAHLLOKOSA-N 342.870 4.427 0 40 EIAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(Oc2ccccc2)cc1 29378879 MHLDXQVBYOFMSF-INIZCTEOSA-N 332.403 4.497 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ccc2c(c1)OCO2 30315260 VXOLHBFPCBBADW-ZDUSSCGKSA-N 345.826 4.221 0 40 EIAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 30751517 MBPPVKPPXXJTBZ-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB C[C@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 35142213 QJSLJLSQEYRTPS-MLGOLLRUSA-N 331.799 4.173 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2=O)cc1 36140808 VIMSCCKPGPEZDB-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB O=C(C1CCC1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 36676347 YNOPCJZTUJUJMR-UHFFFAOYSA-N 341.411 4.164 0 40 EIAB C[C@@]1(C(=O)Nc2cccnc2Oc2ccccc2)CC1(Cl)Cl 36837280 KSLVFWDGFKEYDW-HNNXBMFYSA-N 337.206 4.396 0 40 EIAB COc1ccc(-c2nc3cc(OC)cc(Br)c3o2)cc1 38876770 SEZJONNAJTXKMK-UHFFFAOYSA-N 334.169 4.275 0 40 EIAB CC[C@H](NC(=O)c1cc(F)ccc1F)c1ccccc1OC(F)F 40089086 VDEOPPVJCIWFDK-AWEZNQCLSA-N 341.304 4.447 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 41450673 FQQXNEDWXDALRJ-UHFFFAOYSA-N 339.178 4.409 0 40 EIAB O=C(NCc1ccccc1)c1cc(-c2cccc3ccccc23)[nH]n1 44839173 RDHLSPIXNOTNNI-UHFFFAOYSA-N 327.387 4.160 0 40 EIAB CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 44946718 SNFBLXDATAKEQK-GOSISDBHSA-N 344.414 4.068 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(OC(C)C)c1 44946766 NVJMIQQAQAFCRN-HNNXBMFYSA-N 327.424 4.442 0 40 EIAB CN(c1ccccc1)c1ccccc1NC(=O)NCC[C@H]1CCCO1 48251169 FLVRNRJMJFYOIN-QGZVFWFLSA-N 339.439 4.145 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)CSCc2ccccc2)cc1 52915626 HWUFGEBUQHEHDW-IBGZPJMESA-N 341.476 4.292 0 40 EIAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57503960 YCJRDYBPRZZQLJ-FZKQIMNGSA-N 328.843 4.011 0 40 EIAB CCC[C@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 71186379 GPMURHXOTGLGHD-INIZCTEOSA-N 345.487 4.131 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NCCCCN(C)c2ccccc2)C1(C)C 72017275 ZCPAHDQDKSFPLY-RBUKOAKNSA-N 328.500 4.258 0 40 EIAB CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(Cl)ccc2F)CC1 72194179 ZUVISJLRELDWKI-UHFFFAOYSA-N 341.810 4.309 0 40 EIAB in-vitro O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@@H]1CCc2ccccc2C1 89851146 HKVWLDHDPFQQNM-OAQYLSRUSA-N 344.458 4.288 0 40 EIAB Brc1csc(CNc2cnn(-c3ccccc3)c2)c1 89857592 VPYZIOZPCOOTPW-UHFFFAOYSA-N 334.242 4.308 0 40 EIAB Cc1cnc([C@H](C)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 95423624 NBFIHKAHJDGCBP-STQMWFEESA-N 344.484 4.147 0 40 EIAB Cc1nc2ccccc2nc1SCc1nnc(C2CC2)n1C1CC1 97083531 RGGIJYWBQXXPKN-UHFFFAOYSA-N 337.452 4.034 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(OC(C)C)c1 113960266 QVGRUIBXLQDDIP-GOSISDBHSA-N 345.414 4.087 0 40 EIAB Cc1cscc1C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 193385627 RRXSUCDXNMKZMM-UHFFFAOYSA-N 330.453 4.098 0 40 EIAB C[C@@H]1CCC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)[C@@H]1C 195557258 CFYJWEVOTAVRLM-QQIMEZCUSA-N 349.540 4.351 0 40 EIAB CCOc1ccccc1NC(=O)N1CCS[C@H](c2ccco2)CC1 219432761 BYNMLIYCVXQTDS-KRWDZBQOSA-N 346.452 4.390 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2)cc1 224924002 UYQHVQNVLQSHLJ-IBGZPJMESA-N 338.451 4.391 0 40 EIAB COc1ccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225086069 XHEUFRLFZUBMQQ-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB O=C(Nc1cccc(F)c1)c1snnc1-c1ccc(Cl)cc1 225769680 LCXPYZZRQHQALE-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)C3N=N3)CC[C@H]12 253595757 IEVSFXLZSHRGPR-CQZXOMEYSA-N 342.483 4.287 0 40 EIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408708762 MHBPVVVRQUOTKW-HNNXBMFYSA-N 332.488 4.255 0 40 EIAB Cc1cc(F)c(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 952885623 FHXOUWVEEDHRKS-CABCVRRESA-N 340.826 4.257 0 40 EIAB COc1ccc([C@@H]2CCCN2c2nc3ccc(F)cc3o2)c(OC)c1 1559055920 JQDMOVRHHLXHOA-INIZCTEOSA-N 342.370 4.326 0 40 EIAB Cc1cc(C)cc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 204140 XBCXUEHMIJQEHB-UHFFFAOYSA-N 330.387 4.056 0 40 EIAB CC[C@@H](C)Nc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 535010 WJLDJLSRJYNFSG-SECBINFHSA-N 337.514 4.475 0 40 EIAB O=c1c2ccc(Cl)cc2nc(-c2ccc(Cl)c(Cl)c2)n1O 1401800 XTILEYKJFADBTD-UHFFFAOYSA-N 341.581 4.261 0 40 EIAB O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1ccc(Cl)cc1 1567139 QPGXUASVOKGSDH-KRWDZBQOSA-N 336.774 4.454 0 40 EIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1 3115808 GOXJMNMDBAZONN-KRWDZBQOSA-N 344.414 4.140 0 40 EIAB CN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1 3414599 KDTJDZNPFZMFSI-UHFFFAOYSA-N 328.462 4.073 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2ccccc2Cl)c1 3483219 BFZOONMRBAOALR-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(C)cc1Cl 3487114 UDECOUHANWEJLQ-UHFFFAOYSA-N 335.762 4.008 0 40 EIAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccc(F)cc2)on1 3907638 WLOGLXXXIRBPSC-UHFFFAOYSA-N 332.718 4.092 0 40 EIAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)ns2)c1 4167220 RBAZUOYEEKKWJZ-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB O=C1N(c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1(F)F 4183296 VAXZEGQTSSDXBB-ZDUSSCGKSA-N 327.252 4.429 0 40 EIAB Cn1cnnc1-c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4526185 SXSLWQGTRVLPLC-UHFFFAOYSA-N 334.423 4.032 0 40 EIAB C[C@@H](NC(=S)Nc1ccccc1)c1ccc(Br)cc1 4619707 QFOOMDSCOQUQNB-LLVKDONJSA-N 335.270 4.497 0 40 EIAB Cc1cccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)c1 4746910 BZWHNRBEAINLCW-UHFFFAOYSA-N 344.842 4.266 0 40 EIAB CC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccccc1Cl 4783724 BNCWBBCAYMWIFR-UHFFFAOYSA-N 340.814 4.179 0 40 EIAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1cccs1 4854595 HPLWYRQUSGGVIE-OAHLLOKOSA-N 329.450 4.248 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 6405685 QCHUXFURUGQEON-UHFFFAOYSA-N 331.437 4.365 0 40 EIAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 6840014 OAKQAOZRJMNHOM-UHFFFAOYSA-N 339.313 4.040 0 40 EIAB Fc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)o2)cc1 6985804 BNPDDVYQCBMMOJ-UHFFFAOYSA-N 341.411 4.027 0 40 EIAB O=C(NCc1ccccc1Cl)c1csc(-c2cccs2)n1 8273251 GWJPXJBDHQSNOA-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB Cc1ccc2nc(CCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1 8738163 HSJRRKLRLXURDA-UHFFFAOYSA-N 327.815 4.404 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)c1cc(Cl)c2c(c1)OCO2 9499697 MVDFPANTJLBMDA-UHFFFAOYSA-N 347.802 4.023 0 40 EIAB CNc1c(NC(=O)Nc2ccc(C)c(C)c2)c(=O)oc2ccccc12 9607265 MZTDIDLAKYZSAL-UHFFFAOYSA-N 337.379 4.096 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1 10646106 URUDSLWBRMTTEQ-JTQLQIEISA-N 342.197 4.389 0 40 EIAB CC(C)(C)[n+]1cn(-c2ccc(F)cc2)c(-c2ccccc2Cl)n1 12551143 XCAJBKQFVQZEFJ-UHFFFAOYSA-N 330.814 4.374 0 40 EIAB Cc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12766994 PTQWGYVPVDVRED-UHFFFAOYSA-N 344.374 4.154 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1occc1COc1ccccc1 12906042 LCTNFFATMDGXQE-UHFFFAOYSA-N 329.302 4.389 0 40 EIAB COc1ccc(CN(C)C(=O)Cc2coc3cc(C)ccc23)cc1F 12985044 BDTMUFZDHVGSCV-UHFFFAOYSA-N 341.382 4.090 0 40 EIAB Cc1ccc(C)c(OCCSCCC(=O)NC2CCCCC2)c1 13021551 GWQOEFQHZRPMGG-UHFFFAOYSA-N 335.513 4.254 0 40 EIAB COc1ccc2cc(CNc3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 13561387 PBECVTKGDZAIGV-UHFFFAOYSA-N 336.435 4.446 0 40 EIAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 14066764 LKLCWEWNQGNXNH-CQSZACIVSA-N 332.394 4.041 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1ccc(N2CCCCC2)cc1 15326605 TZFUHGKUDLYLGL-UHFFFAOYSA-N 344.842 4.348 0 40 EIAB O=C(CCC(=O)c1ccccc1)OCc1cc(-c2cccs2)on1 15331813 KPNXQHYWICXIHE-UHFFFAOYSA-N 341.388 4.109 0 40 EIAB O=C(CCc1cccnc1)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373809 SPUDOSSIZHDRGP-WKDRNLAYSA-N 334.463 4.103 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC)cc1 20034920 CWCWJDJRGDWXPU-KRWDZBQOSA-N 347.842 4.165 0 40 EIAB CCCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 21874441 BOYLEVBKAZMGOT-UHFFFAOYSA-N 345.443 4.124 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)c2ccccc2n1 27975638 DKLVEHRFSLJUGN-GFCCVEGCSA-N 342.345 4.227 0 40 EIAB Cc1cccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 28220225 LGTOEWFUKMNOBD-UHFFFAOYSA-N 326.787 4.478 0 40 EIAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 29515693 FGPBGMZFUHHYCY-TXEJJXNPSA-N 336.501 4.159 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)nc2)o1 31633196 FAQQBCVEFMSXMN-IVXVGSNXSA-N 337.423 4.050 0 40 EIAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)c3ccccc3)cc12 32642684 SWMANWPIZNTDOZ-UHFFFAOYSA-N 342.402 4.006 0 40 EIAB CC(C)[C@H](C(=O)Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 32901850 GJRJQZVVXQTQOX-INIZCTEOSA-N 345.830 4.209 0 40 EIAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCSCC1 32935691 UZNRHTDNDSIBGP-MRXNPFEDSA-N 340.492 4.120 0 40 EIAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CC4CC4)cc3)o2)c1 40555161 LCBFVSVVJXIRRV-UHFFFAOYSA-N 347.418 4.194 0 40 EIAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1 41077035 BZMSDPYXLIYBCX-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB CC1(C)Oc2cc(NC(=O)Nc3ccccc3Cl)ccc2NC1=O 46089257 JWUDPWQVHPDPRZ-UHFFFAOYSA-N 345.786 4.094 0 40 EIAB CC(C)(C)c1nnc(NC(=O)C2(c3ccc(F)cc3)CCC2)s1 55976530 MMYWSUXMAHXOIM-UHFFFAOYSA-N 333.432 4.035 0 40 EIAB O=C(NCc1ccoc1)Nc1ccc(N2CCc3ccccc32)cc1 58309597 UHVNOYGBCQIDNI-UHFFFAOYSA-N 333.391 4.296 0 40 EIAB COc1cc(OC)c(NC(=O)c2nccc3ccccc23)cc1Cl 60192900 FBVJTEXVAXNMBN-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB COc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 65918611 UIYLIIINPYXHGQ-UHFFFAOYSA-N 334.419 4.196 0 40 EIAB FC(F)(F)Cn1ccnc1CSc1ncc(-c2ccccc2)o1 69527941 YQGZUZCJQSGFQP-UHFFFAOYSA-N 339.342 4.393 0 40 EIAB CC(C)(C)c1nc(CC(=O)NC2CCC(C(F)(F)F)CC2)cs1 69777023 DZPHKVHVGIRCBP-UHFFFAOYSA-N 348.434 4.220 0 40 EIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 69900793 KTYVXFQVIQOKJT-IPMKNSEASA-N 339.410 4.302 0 40 EIAB C[C@](O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 75155371 JXCPSRVCILRUTK-FQEVSTJZSA-N 337.444 4.053 0 40 EIAB CO[C@@H](C)c1nc(CSCc2cn3cccc(C)c3n2)cs1 84495951 PRYUVJWKFTZCLX-LBPRGKRZSA-N 333.482 4.240 0 40 EIAB O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cscn1 95996767 SNDRDUCATWYLJC-UHFFFAOYSA-N 348.387 4.131 0 40 EIAB CO[C@@H](CNC(=O)NCc1cccc2ccccc12)c1ccccc1C 96105197 VAEDQPNDEXRVRE-NRFANRHFSA-N 348.446 4.335 0 40 EIAB CC(C)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)cc1 96118741 UIGFLHKJFJWRFL-UHFFFAOYSA-N 347.418 4.387 0 40 EIAB O=C(c1ccsc1)c1ccc(CNC(=O)[C@H]2CC=CCC2)s1 96119838 VNMYIXXZXYOKLM-LBPRGKRZSA-N 331.462 4.013 0 40 EIAB CC(C)N(C(=O)c1ccnc(SC(C)(C)C)c1)C1CCOCC1 96499786 DDIAYNKWBJNHGQ-UHFFFAOYSA-N 336.501 4.002 0 40 EIAB Oc1ccc(/C=C/c2nc(-c3cccc(Br)c3)no2)cc1 97102659 FGHIPDRZEBENPU-RMKNXTFCSA-N 343.180 4.375 0 40 EIAB COc1ccc(C(=O)NCC23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1 100872822 SSKGQYPTOKCOFG-IHWOHKJGSA-N 333.859 4.003 0 40 EIAB O=C(C1CCC(O)CC1)N1CCCCC[C@@H]1/C=C/c1ccccc1 194393524 PKRWSAJKMUHGOB-UVCXQEEPSA-N 327.468 4.022 0 40 EIAB COC(=O)c1cn(-c2cc(N)cc(C(F)(F)F)c2)c2ccccc12 199730621 WYCYJQJZVNBABO-UHFFFAOYSA-N 334.297 4.018 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1C 223488829 FQWSBKQKBWSSGU-INIZCTEOSA-N 339.435 4.151 0 40 EIAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COC 224689739 ODGCDLZHUAIYSQ-UHFFFAOYSA-N 327.424 4.409 0 40 EIAB COc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225102180 GUZDSYSODSAMPE-NRFANRHFSA-N 348.398 4.437 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225117673 FQWPTJCKAXNCMB-LJQANCHMSA-N 342.435 4.376 0 40 EIAB COc1cc(C)c(C(=O)NCCOc2ccc(C)cc2)cc1C(C)C 225666042 NKXYJTBJWQMDBN-UHFFFAOYSA-N 341.451 4.244 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1Cl 225674133 VCCAXYSKJVTVKK-CQSZACIVSA-N 343.854 4.303 0 40 EIAB Cc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1C 225779307 YJJPQSFPXZKIDX-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)c(C)n1 225911105 UQHNWJQIVPTREV-YWZLYKJASA-N 348.487 4.493 0 40 EIAB CCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c(N)c1 226358814 RASRXBHDSRZAGS-UHFFFAOYSA-N 342.439 4.117 0 40 EIAB COc1ccc(-c2cc(=NCCCO)c3c(C)cc(C)cc3o2)cc1 254516691 YNOIYOJSKDGFKR-UHFFFAOYSA-N 337.419 4.008 0 40 EIAB CCOc1ccc(NC(=S)NCCCN2CCCC[C@H]2CC)cc1 260735098 FMFKGDVBHGHQFY-QGZVFWFLSA-N 349.544 4.026 0 40 EIAB Cc1ccc(-c2[nH]c(=Nc3ccccc3)sc2CC(=O)O)cc1C 408892507 BTCQFHFBIHWFEJ-UHFFFAOYSA-N 338.432 4.220 0 40 EIAB O=C(CSc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1 575615298 CICRCRWNYQOCRK-UHFFFAOYSA-N 341.860 4.218 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2 575618375 BDTJMIPFSFEDFL-UHFFFAOYSA-N 337.448 4.129 0 40 EIAB FC(F)(F)c1nc2cccc(C(F)(F)F)n2c1Br 642882028 VQVREEXZBRUMTF-UHFFFAOYSA-N 333.029 4.134 0 40 EIAB CCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 200759 APOHHZVAKRKDMO-GFCCVEGCSA-N 327.815 4.201 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(Cl)ccc1C 574384 XDVKHKFITUPWMH-MDZDMXLPSA-N 331.799 4.318 0 40 EIAB CC(C)COC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 1752600 MTZMRKVRYDMVJN-UHFFFAOYSA-N 330.359 4.283 0 40 EIAB CSc1nc2ccc(NC(=O)COc3cccc(F)c3)cc2s1 2627692 WXJZKAYEBDGVHI-UHFFFAOYSA-N 348.424 4.175 0 40 EIAB CCO/C=C1/C(=O)N(c2ccc(C(C)C)cc2)C(=O)c2ccccc21 3295396 AGWYUPVCBZBQMG-CPNJWEJPSA-N 335.403 4.374 0 40 EIAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)cc1 3590817 OLWIBKRAWVQUFR-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O 5173903 FFNXZKXWPJKNMM-LGMDPLHJSA-N 335.403 4.337 0 40 EIAB COc1ccc(-c2csc(-n3nc4c(c3C)CCCC4)n2)cc1 5274966 ZZYYIOLNNFZYPN-UHFFFAOYSA-N 325.437 4.192 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCCc1ccc(Cl)cc1 5443330 UITITADYZSVIMY-UHFFFAOYSA-N 341.760 4.260 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)NCCCSc2ccccc2)cc1 6560962 ZLMHVOUYKWLYJI-MRXNPFEDSA-N 342.508 4.348 0 40 EIAB CCN(c1ccc(NC(=O)c2cnc3ccccc3n2)cc1)C(C)C 6980037 LPEDERWLAITCIW-UHFFFAOYSA-N 334.423 4.117 0 40 EIAB CCCNC(=S)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7662633 AHNNTRRDPPTPQQ-HNNXBMFYSA-N 343.521 4.235 0 40 EIAB CC(C)C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 8558103 JPNCMAQOIRQUSE-UHFFFAOYSA-N 325.648 4.116 0 40 EIAB COc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 9422261 DQGZBJLHDCAGMG-OAQYLSRUSA-N 344.414 4.462 0 40 EIAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1 9983379 HUTATSGKQDBOAU-GFCCVEGCSA-N 344.484 4.030 0 40 EIAB CCO[P@@](=O)(CC1(O)CCCCC1)c1cccc2ccccc12 10494708 PZTWOLBSLNTCBE-QHCPKHFHSA-N 332.380 4.475 0 40 EIAB Cc1ccccc1CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 11905595 GYMVRAFYDKXVLP-UHFFFAOYSA-N 336.460 4.270 0 40 EIAB CCCOC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC=C2)cc1 12274548 SBOZAMGSHDAKLH-UHFFFAOYSA-N 349.386 4.182 0 40 EIAB biogenic COc1cc(OC)cc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 13671076 WJYWBDNVWIUEGT-UHFFFAOYSA-N 341.407 4.278 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2Br)c1 13710282 XZFYQUHNRYNWQH-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)Nc1nncs1 14227051 GBDRMJJQCLUTAO-SOFGYWHQSA-N 331.397 4.058 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2cccnc12 14517715 RFHJDCZCJSFTQZ-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB COc1ccc(OCCCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 14573590 GUEHKMGIQAPPOQ-QGZVFWFLSA-N 341.451 4.348 0 40 EIAB COc1ccc2cc(COC(=O)c3cccs3)c(Cl)nc2c1 15156183 GIICQQLRQFIFMP-UHFFFAOYSA-N 333.796 4.315 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 15581150 QQSKRBJFDBEOIQ-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB Cc1cc(C)cc(NC(=O)CCCc2nc(-c3ccccc3)no2)c1 16269175 IXQAQLBMHBFXQY-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB CCN1CCc2cc(-c3cncn3C[C@H](C)n3nc(C)cc3C)ccc21 19719389 YPJJOVYZXYFPOA-KRWDZBQOSA-N 349.482 4.007 0 40 EIAB CCOCCOc1ccccc1NCCOc1c(C)cccc1C 19738514 ZGNWPAYBBVUKEM-UHFFFAOYSA-N 329.440 4.210 0 40 EIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 21347487 JDUMZNFRRKXVTK-KRWDZBQOSA-N 336.435 4.110 0 40 EIAB COc1ccc(SCC(=O)NCCSc2ccc(C)cc2)cc1 22511669 WCQKXHBZFSUKBX-UHFFFAOYSA-N 347.505 4.004 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1 22524905 XMCZJPUWLSAOQU-FQEVSTJZSA-N 325.452 4.210 0 40 EIAB CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(OC)cc1 23649768 HGLORDDYTBJNKJ-LJQANCHMSA-N 327.424 4.122 0 40 EIAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1cccnc1Cl 25143933 RIIJETZKSHULJC-UHFFFAOYSA-N 344.823 4.203 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2)c1 28226680 YKJQZPOWCVDANX-UHFFFAOYSA-N 326.787 4.229 0 40 EIAB CN(C)C[C@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccccc1 29954238 GLSARPJENNLTOL-BQXQKYNTSA-N 344.458 4.272 0 40 EIAB CC(C)C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 30008076 ULIIHABOIJWKSO-SFHVURJKSA-N 335.444 4.033 0 40 EIAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Cl)cc1 32027853 SBUYUYVKAHKKLQ-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB COc1cccc(NC(=O)CN(C)[C@H](C)c2cc3ccccc3o2)c1 32754442 AGKJFKXNZZVAIA-CQSZACIVSA-N 338.407 4.073 0 40 EIAB CCOc1ccc(-c2noc(CN[C@H](C)c3ccccc3F)n2)cc1 32777165 KMWKLEZRSAOBLY-CYBMUJFWSA-N 341.386 4.125 0 40 EIAB COc1ccccc1-c1ccc(=O)n(Cc2ccc3ccccc3c2)n1 40267732 AVOLDKVPVQWLGX-UHFFFAOYSA-N 342.398 4.120 0 40 EIAB Cc1ccc(-c2n[nH]cc2CNCCCn2ccc3ccccc32)o1 42911367 UPDFLFLQLIEJRD-UHFFFAOYSA-N 334.423 4.113 0 40 EIAB CC(C)CCN(Cc1nc(O)c2oc3ccccc3c2n1)C1CC1 45751815 BHBJPWYVJLMMRQ-UHFFFAOYSA-N 325.412 4.092 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49545471 JEYHFJQEWIHCCN-QGZVFWFLSA-N 333.391 4.064 0 40 EIAB c1ccc(-c2cc3c(N4CCCSCC4)ncnc3s2)cc1 60842467 XZDMPILLZCOFRD-UHFFFAOYSA-N 327.478 4.302 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OC(C)C)c1)CC(O)=N2 61719792 JQIIFTNMECHMQD-LLVKDONJSA-N 347.440 4.104 0 40 EIAB CC(C)Cc1nnc([C@H](C)Sc2ccc3c(c2)OCCCO3)o1 69846970 AFEDDNFCBDLFIT-LBPRGKRZSA-N 334.441 4.283 0 40 EIAB CCOC(=O)c1c(CNC(C)(C)c2nccs2)oc2ccccc12 71911968 NTZOGTPSRUPGQD-UHFFFAOYSA-N 344.436 4.091 0 40 EIAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 72227808 LZNRWHKKEUWPNS-ZIAGYGMSSA-N 341.625 4.062 0 40 EIAB c1ccc(CN2CC[C@@H](NCc3ccco3)[C@H](c3ccccc3)C2)cc1 72341589 FCRZKCYWZIJWKU-XZOQPEGZSA-N 346.474 4.428 0 40 EIAB C[C@H](C(=O)Nc1ccc2ccn(CCN(C)C)c2c1)c1cccs1 73102738 FRWQHDXMCJSSAY-AWEZNQCLSA-N 341.480 4.007 0 40 EIAB COCCn1cc(C(=O)Nc2cccc3c2ccn3C)c2ccccc21 79193955 ARJCSLGUQKXPAH-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic O=C(Nc1ccc2c(c1)oc1ccccc12)N(CCCCO)C1CC1 84594603 GUIQESIIBSDKJM-UHFFFAOYSA-N 338.407 4.355 0 40 EIAB C[C@@H](c1ccccc1F)[S@](=O)Cc1ccc(-n2cccn2)cc1 84660664 VKELPJQDFXQNSZ-PSLXWICFSA-N 328.412 4.021 0 40 EIAB CC[C@@H](C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1 85555059 AUDLLYJYSFJEIZ-HXUWFJFHSA-N 347.462 4.250 0 40 EIAB O=C(Nc1ccncc1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 90090672 AWTUPRHIOWFGAA-NRFANRHFSA-N 343.430 4.456 0 40 EIAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1sccc1C 92645652 UHGLKEUKBVUCOP-UHFFFAOYSA-N 331.828 4.456 0 40 EIAB Clc1ccc(CN2CCCN(c3ncccc3Cl)CC2)cc1 95946987 VHEFGBZUSRAYAA-UHFFFAOYSA-N 336.266 4.101 0 40 EIAB CC(C)C(=O)Nc1ccc(N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 95990522 DMBIXYFZXSHCFJ-LFPIHBKWSA-N 344.480 4.192 0 40 EIAB Cc1ccccc1C(=O)NCC1(Sc2ccccc2)CCOCC1 96330954 WMYUGUYUOJSDNL-UHFFFAOYSA-N 341.476 4.066 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 102761999 INWYLJANKLYLOW-DZJNRPSUSA-N 349.434 4.002 0 40 EIAB Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 136427892 SPTDNUYDNPCVID-JARUQAPTSA-N 329.490 4.397 0 40 EIAB CCSc1ccccc1C(=O)N[C@H](C)COc1ccc(OC)cc1 219646387 AQKUNBAFEPBTGO-CQSZACIVSA-N 345.464 4.005 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)c1C 223902286 JHTIFDLDGNFMHX-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB C[C@@H]1CCCN(c2ccc(NC(=S)NC3CCCCCC3)cn2)C1 224041800 WURPMENJJGDQQD-OAHLLOKOSA-N 346.544 4.327 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(C)c2)ccc1Cl 224780236 ILWONNFGLKWAKA-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)Cc1cccc(Br)c1 225619575 BBMXBTDQVCKZPR-CQSZACIVSA-N 346.268 4.129 0 40 EIAB Cc1cc(C)cc(NC(=S)N[C@H](C)COc2ccccc2C)c1 225634333 NGTMPVUPHSWOSZ-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB CN(C(=O)CCc1ccsc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273333054 URFXUYYOTCQXDW-ZWKOTPCHSA-N 347.455 4.199 0 40 EIAB COc1cc(SC)ccc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 278415019 ZROGDUDMWIKVNP-BBRMVZONSA-N 337.485 4.197 0 40 EIAB CC1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 408872900 KWAOPZNIBILGEO-UHFFFAOYSA-N 348.490 4.117 0 40 EIAB CC(C)Cc1ccc([C@H](C)C(=O)N2CCO[C@H](C3CCC3)C2)cc1 622700757 UUHLCLSEFOIYCI-JXFKEZNVSA-N 329.484 4.016 0 40 EIAB CC1CCN(Cc2ccc(NCc3cccc4[nH]ncc34)cc2)CC1 1656831811 ANZKSBFASHOVGR-UHFFFAOYSA-N 334.467 4.407 0 40 EIAB c1ccc(CSc2nn(-c3ccccc3)c[n+]2-c2ccccc2)cc1 162108 SGWVGPSXBNVCHL-UHFFFAOYSA-N 344.463 4.441 0 40 EIAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)c(Cl)c1 503106 JGJBVJUNVYXMKT-GQCTYLIASA-N 341.219 4.113 0 40 EIAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 573711 UKOXYLFGSFPIKY-UHFFFAOYSA-N 346.430 4.490 0 40 EIAB CCn1nc(NC(=O)c2ccccc2)c2cc3cccc(C)c3nc21 1270905 JBLKSHKGHWOULZ-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB CCCC[C@@H](CC)C(=O)OCC(=O)c1ccc(Br)cc1 3231675 RPTBYIUPRYSJTQ-GFCCVEGCSA-N 341.245 4.391 0 40 EIAB Nc1c(Br)cc(Br)cc1Cc1ccccc1 3844650 ZGHKIGSZTILMHN-UHFFFAOYSA-N 341.046 4.385 0 40 EIAB biogenic Fc1ccc(CSc2nnc(CNc3ccc(F)cc3)o2)cc1 4161541 AJBWMGJJFZRMQL-UHFFFAOYSA-N 333.363 4.252 0 40 EIAB COc1cccc(-c2cnc(NCc3ccccc3Cl)n2C)c1 4678366 KEXCJFCOJYTHOM-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB C[C@H]1C[C@@H]1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 5405604 WXZSTUOCEWEPDV-YOEHRIQHSA-N 347.414 4.227 0 40 EIAB Cc1ccc(C(=O)NCCc2csc(-c3cccs3)n2)cc1C 5452273 LLGCZMZPBQEAHF-UHFFFAOYSA-N 342.489 4.461 0 40 EIAB COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2C)cc1 5511878 QKGNXGHTDDAQHQ-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c(C)c1 7505261 XQPGGAMWXAPNEY-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB Cc1cc(C)c2c(-c3ccccc3)nc(SC[C@@H]3CCCO3)n2n1 8131007 VOKJNAQHNFXITO-INIZCTEOSA-N 339.464 4.284 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1C 8498252 XTTLTNXDRPMPIX-INIZCTEOSA-N 327.424 4.497 0 40 EIAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)N2C(=N1)Nc1ccccc12 8741475 DDJLOVIJRNKTOR-IBGZPJMESA-N 347.418 4.255 0 40 EIAB CCCCC[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C\CCCC(=O)O 8860453 NNPWRKSGORGTIM-IEVBXOQPSA-N 336.472 4.158 0 40 EIAB CN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc21 9134299 FXAPPTSCAGMKTQ-UHFFFAOYSA-N 349.217 4.155 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1c1cccs1 9366926 RBWAYZPNYWASSL-AWEZNQCLSA-N 343.477 4.080 0 40 EIAB COc1ccccc1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 9456303 HGEQOWNMOJXCRO-MRXNPFEDSA-N 345.439 4.120 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1occc1COc1ccccc1 10491179 MAWOLHPHJANPSH-UHFFFAOYSA-N 329.302 4.389 0 40 EIAB CN(Cc1ccccc1OC1CCCC1)Cc1n[nH]c2c1CCCC2 12147152 HOXDLUZMBMYAPR-UHFFFAOYSA-N 339.483 4.242 0 40 EIAB CCOc1ccc2[nH]c(=O)c(CNc3c(C)cccc3CC)cc2c1 12493158 CQAKARNSLQUDQC-UHFFFAOYSA-N 336.435 4.410 0 40 EIAB FC(F)(F)c1nc2n(n1)[C@H](c1ccccc1)C=C(c1cccs1)N2 12601190 BYAGOQWSANJGDT-LBPRGKRZSA-N 348.353 4.414 0 40 EIAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccnc(Cl)c3)oc12 12813580 YAVDUJWYAFMIMX-NSHDSACASA-N 344.798 4.371 0 40 EIAB COc1cc(OC)cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 12921946 NYPCHCUJDMRQMY-ZDUSSCGKSA-N 343.448 4.235 0 40 EIAB CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 12999016 CKUOJMYQLZHPSK-SFHVURJKSA-N 339.435 4.252 0 40 EIAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 13016356 WYJMVHOZIKBCHA-GFCCVEGCSA-N 349.887 4.281 0 40 EIAB O=C(O)c1ccccc1-c1ccc(Cn2cnc3ccccc32)cc1 13451134 ANXHJCQVKLBZCW-UHFFFAOYSA-N 328.371 4.450 0 40 EIAB Cc1nn(-c2ccc(Br)cc2)c2nc3ccccc3nc12 16266484 PWPXKDPJTGCGQT-UHFFFAOYSA-N 339.196 4.040 0 40 EIAB CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3cccs3)c2c1 17306657 SDTSIAQPLHQAIM-UHFFFAOYSA-N 340.404 4.034 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1C 18365403 IEUZRKIBOLETEK-GFCCVEGCSA-N 327.409 4.045 0 40 EIAB Cc1nc(NCc2ccccc2)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 19718043 XTINDYSLECNHFI-CQSZACIVSA-N 349.482 4.323 0 40 EIAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1C 19736714 JLTPMIAKJUHDCJ-ZFWWWQNUSA-N 326.440 4.497 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccccc2)cc1 20486415 RKWGJSTWCAIPCY-HNNXBMFYSA-N 329.465 4.196 0 40 EIAB O[C@@](COc1ccc(Cl)cc1)(c1ccccc1)c1cccnc1 22115039 ZNNXRDNAVHZYKP-IBGZPJMESA-N 325.795 4.050 0 40 EIAB CC[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 22225688 PELIGVXQSMMBOL-ZDUSSCGKSA-N 326.421 4.327 0 40 EIAB COc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)cc1 23125452 JKUHBAKMGAIFSG-UHFFFAOYSA-N 348.431 4.375 0 40 EIAB COc1cc(C)c(NC(=O)CCOc2ccc(C)c(C)c2)cc1OC 24748359 PZBVAVFXRCEMIR-UHFFFAOYSA-N 343.423 4.037 0 40 EIAB Cc1ccc(NC(=S)N2C(=O)CSc3ccccc32)c(C)c1 28527662 GQGPKIWXQBIDIG-UHFFFAOYSA-N 328.462 4.139 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)n1C 31381378 NJRHRBLWPRYZKN-QGZVFWFLSA-N 332.447 4.284 0 40 EIAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc2ccccc12 31565965 FUBJWUGGYWTTHI-FQEVSTJZSA-N 344.458 4.234 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Cc1ccc2c(c1)CCCC2 32674643 GVUSHTNBMOBHIZ-UHFFFAOYSA-N 329.827 4.409 0 40 EIAB COc1ccc([C@@H](NC(=O)Cc2cccc3cccnc23)C2CC2)cc1 40034522 AZFQYAYNKIVLCD-QFIPXVFZSA-N 346.430 4.053 0 40 EIAB Cc1ccc(-n2nc(C)c(CC(=O)NC3CCCC3)c2C)cc1Cl 40128533 URBYMGQVONVCQZ-UHFFFAOYSA-N 345.874 4.052 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2cccc(F)c2)C1 40268703 IGENTQNSBJADGO-OAHLLOKOSA-N 343.308 4.413 0 40 EIAB C[C@H]1c2cccn2CCN1C(=O)CCCc1ncc(-c2ccccc2)o1 43012742 NEAATDCGAPOZPI-INIZCTEOSA-N 349.434 4.069 0 40 EIAB Cc1ccc(-c2n[nH]c(S[C@H](C)c3nc(C(C)(C)C)no3)n2)cc1 44111007 DBXOFCNKFKMRFC-LLVKDONJSA-N 343.456 4.314 0 40 EIAB Cc1ccccc1NC1CCN(C(=O)Nc2ccccc2F)CC1 58138439 CITLJNCFMRBTDN-UHFFFAOYSA-N 327.403 4.243 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 59351960 NYVMNHYAICNSBN-QRWLVFNGSA-N 341.451 4.292 0 40 EIAB CC1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 69600399 WRDDNPMJKLMQCT-UHFFFAOYSA-N 334.463 4.121 0 40 EIAB CN(C(=O)c1cccs1)[C@@H](c1cccnc1)c1ccc(F)cc1F 69811189 ZBNQDAULKOTRKS-KRWDZBQOSA-N 344.386 4.283 0 40 EIAB C[C@@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1ccc(C(C)(C)C)cc1 69813874 BGXVTDIAHOHXAF-UPCLLVRISA-N 349.540 4.024 0 40 EIAB O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1 71296668 PRPRITPGWICLOV-UHFFFAOYSA-N 335.197 4.045 0 40 EIAB O=C(Nc1cccc(Oc2ccncc2)c1)c1scnc1Cl 71899783 WYEVCDNWAUCSFM-UHFFFAOYSA-N 331.784 4.236 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C 72215024 YWXTXBJNELYTDR-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccccc2O)n[nH]1 72238539 MDJBDIIHJQXTBV-UHFFFAOYSA-N 329.359 4.188 0 40 EIAB CC[C@](C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12 72286877 KBBNKKWQDFBKLT-HNNXBMFYSA-N 328.334 4.015 0 40 EIAB C[C@H](Cc1ccc2ccccc2n1)Sc1nnnn1C1CCCC1 72312952 LBYDYOCVQUEIKL-CYBMUJFWSA-N 339.468 4.060 0 40 EIAB CCc1ccc([C@@H](NC(=O)N(C)Cc2nccs2)C(C)(C)C)o1 74892582 FXMUGCRHJVNPQV-OAHLLOKOSA-N 335.473 4.227 0 40 EIAB O[C@H](COc1ccc(Cl)cc1)Cn1c(C2CC2)nc2ccccc21 76556315 IWHOXCGUBQPDIZ-HNNXBMFYSA-N 342.826 4.007 0 40 EIAB O=C(NCc1ccc(-c2ccccc2)o1)c1ccc2c(c1)OCCCO2 84562732 HXICXBIJCGMXGI-UHFFFAOYSA-N 349.386 4.038 0 40 EIAB O=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@@H](CCO)C1 89780541 AMWZSSPHPGTOGH-HNNXBMFYSA-N 348.512 4.099 0 40 EIAB Cc1ncccc1C(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 93346114 DXUSIQSOIYLTHR-UHFFFAOYSA-N 348.450 4.335 0 40 EIAB COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 95419357 XYKWCHDODVTSRF-GJZGRUSLSA-N 340.423 4.064 0 40 EIAB C[C@H](CSCc1ccccc1)C(=O)Nc1cccc2[nH]cnc12 95972314 TVLONMYUQGWBRQ-CYBMUJFWSA-N 325.437 4.071 0 40 EIAB C[C@@H]1C[C@@H](C(=O)Nc2ccccc2CN(C)C2CCCCC2)CCO1 95988709 LXUSBTLCHVUBAI-SJORKVTESA-N 344.499 4.205 0 40 EIAB COc1cccc(-c2nc(NC3CCCC3)c3ccccc3n2)c1O 96901699 GJRFSBHLTQGPQZ-UHFFFAOYSA-N 335.407 4.366 0 40 EIAB O=C(NC1CCC(c2ccccc2)CC1)Nn1cnc2ccccc21 96998092 UUVHJROPCYBVSO-UHFFFAOYSA-N 334.423 4.016 0 40 EIAB O[C@H](CN1CCCCC1)C12C[C@H]3C[C@@H](CC(c4ccccc4)(C3)C1)C2 101024325 FAPURBNBNPMIEX-KKHWGRGJSA-N 339.523 4.371 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc1F 216096221 RLVGOMPIHNNYGB-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 219951882 HBHVHDVSSGOGDL-UHFFFAOYSA-N 349.883 4.402 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)COc1ccccc1Cl 223780859 HFUHXRFUMCOPPP-UHFFFAOYSA-N 347.842 4.037 0 40 EIAB Cc1cccc(C2(CNC(=O)c3cc(C)ccc3C)CCOCC2)c1 225055016 SNOCNHVFQXNBIH-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2Cl)c1 225371983 TUBBDKMGGVWNDT-UHFFFAOYSA-N 348.855 4.003 0 40 EIAB CCOc1ccc(NC(=S)NCCCc2ccccc2OC)cc1 225549532 PJYHWQBLKPYZHC-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB COC(=O)c1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 226031861 UCBSSZDVBSOREP-UHFFFAOYSA-N 329.783 4.160 0 40 EIAB O=C(N1[C@H]2CC[C@H]1c1ccccc12)C1(c2ccccc2)CCOCC1 265724311 OLWSOMMGNDJIOT-PMACEKPBSA-N 333.431 4.153 0 40 EIAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccco2)CN1c1ccc(F)cc1 1615118605 GDMWZYDOLDLZRP-FQEVSTJZSA-N 342.414 4.082 0 40 EIAB COc1ccc(-n2nc3c4c(cccc4c2=O)-c2ccccc2-3)cc1 1889292227 AZHPDUSLEPFSPN-UHFFFAOYSA-N 326.355 4.042 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3ccccc3Cl)c(C)c2)no1 1428887 VLVYSBJIMWMOSG-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB CCN(CC)CCCNc1nc(-c2ccccc2)nc2ccccc12 1771427 ICSZZKJAACPKQV-UHFFFAOYSA-N 334.467 4.441 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2)cc1 1922272 SVWKPBOKCYTWOC-LBPRGKRZSA-N 331.799 4.086 0 40 EIAB CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C 2145489 YNOAVDATUQSRBU-UHFFFAOYSA-N 343.290 4.151 0 40 EIAB aggregator Cc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 2238633 WLQATLUPIHCGKM-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB CCOC(=O)CCCCCC(=O)c1cccc(Br)c1 2567573 QZERDSNBNVRDRH-UHFFFAOYSA-N 327.218 4.145 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2o1 3300084 UBANCWAMPYEPAR-QWRGUYRKSA-N 338.860 4.363 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(F)ccc3F)cc2)n1 3611319 UAHOZOWKTZEFET-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 3881339 WGYHVQYXJNPQAA-WPWXJNKXSA-N 332.484 4.099 0 40 EIAB biogenic,in-vitro Cc1ccc(C)c(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c1 4479494 SVDOCBPEWHRPPD-BQYQJAHWSA-N 325.393 4.067 0 40 EIAB COC(=O)c1ccc[n+]2c1S[C@@H](c1ccccc1)[C@@H]2c1ccccc1 4721236 QOLQJCGZAPBVRP-OALUTQOASA-N 348.447 4.197 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2F)cc1 4890709 UYNGRYWHVDEISA-ZDUSSCGKSA-N 341.411 4.078 0 40 EIAB COc1ccc(CCC(=O)Nc2ccccc2N2CCCCC2)cc1 5199439 RBXNMSWIFMTVMT-UHFFFAOYSA-N 338.451 4.257 0 40 EIAB Cc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1 5241922 JZTZJXWZXDCPCD-UHFFFAOYSA-N 334.419 4.108 0 40 EIAB Cc1cc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(C)n1C 5262134 HOKQFIHNJXWNJT-UHFFFAOYSA-N 343.427 4.086 0 40 EIAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5373919 OHPFAJQIYHUSCH-UHFFFAOYSA-N 340.423 4.247 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(C(F)(F)F)c1 5439773 FHUIWLNRYCVROI-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccccc1 8131063 DEKBJJDCJPHBHT-NSHDSACASA-N 328.368 4.239 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)c1 8355656 GRQHCDMGHCYRGA-AWEZNQCLSA-N 339.435 4.074 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)cc1 9196388 OEGDTWQFAGCZIC-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)C(C)C)c(=O)[nH]c2c1 9266676 VYXUUUOITKVQLK-UHFFFAOYSA-N 348.446 4.021 0 40 EIAB O=C1C/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1 9305923 VWQHOVAJUAECQF-WQLSENKSSA-N 336.778 4.168 0 40 EIAB COc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 9725370 AIYCQUKMIDIJBG-SECBINFHSA-N 340.757 4.066 0 40 EIAB Cc1cccc(Cc2cnc(NC(=O)c3cccnc3)s2)c1Cl 12917628 NAAWHLZDFFPOCW-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1 13710542 KOUOWGXINMHXDE-INIZCTEOSA-N 335.513 4.253 0 40 EIAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 16101118 SKSQYCYTJKUMKB-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 16101657 NPGOPBGWMMAKRT-UHFFFAOYSA-N 342.247 4.283 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(F)cc1Cl 16624229 QOHOTHYSJJBGHK-UHFFFAOYSA-N 334.822 4.166 0 40 EIAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCc2ccccc21 16850085 UYGPRPLHHUGTON-UHFFFAOYSA-N 335.432 4.019 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2F)on1 19120960 KCTYICKGFUPFSD-KRWDZBQOSA-N 340.402 4.239 0 40 EIAB FC(F)(F)c1nnc2sc(-c3ccc(-c4ccccc4)o3)nn12 19910151 BPEJEJUGGZSAHZ-UHFFFAOYSA-N 336.298 4.132 0 40 EIAB CC[C@H](CNC(=O)Cc1cc(Cl)ccc1OC)c1ccccc1 21931930 OXTFLDIYBMBEGT-CQSZACIVSA-N 331.843 4.201 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2sccc2C)c(OC)c1 22383574 UYUZJRZRPKOXRI-HNNXBMFYSA-N 331.437 4.051 0 40 EIAB CC(=O)N[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1Cl)C(C)C 24042977 XCPNTEOEVIWEQT-GOSISDBHSA-N 345.826 4.073 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccco2)cc1 24606080 VHGZACGDZNQVSM-AWEZNQCLSA-N 335.494 4.118 0 40 EIAB Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccccc3C)c2C)cc1 24831404 IQFJWEGUJNREHC-INIZCTEOSA-N 333.435 4.289 0 40 EIAB COc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccc(F)cc3)cc2c1 25955715 OWASMAMPBXXGGS-GFCCVEGCSA-N 338.382 4.182 0 40 EIAB Cc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2SCC3)cc1 27788727 HYMYPAXLWGWOIB-UHFFFAOYSA-N 327.860 4.499 0 40 EIAB COC(=O)c1cc(CSCc2cc(F)cc3cccnc23)oc1C 31664770 IBYSHHVPFTXMNS-UHFFFAOYSA-N 345.395 4.495 0 40 EIAB Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)n(C)n1 32809903 IFXLSSLKCIPRJA-UHFFFAOYSA-N 349.312 4.260 0 40 EIAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F 32851135 HFLSHCPPMBBRGF-MEDUHNTESA-N 332.806 4.083 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 32963895 RKTXNFKANLJIKA-KBXCAEBGSA-N 342.439 4.186 0 40 EIAB CN(C)c1ccc(NC(=O)CCc2ccsc2)c(C(F)(F)F)c1 33177066 BFRNETFJLDPLKV-UHFFFAOYSA-N 342.386 4.404 0 40 EIAB Cc1ccc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nn1 35598003 SDFONMCZEAHKTQ-UHFFFAOYSA-N 333.395 4.481 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccccc2F)C1 36360195 MIAFEQKBVIEUKX-LBPRGKRZSA-N 325.318 4.274 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1 36611948 VYYVLCABMMQUGB-INIZCTEOSA-N 346.789 4.228 0 40 EIAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@@H]4C3)c2c1 36741432 CGLBQXCRGUSAEM-GPMSIDNRSA-N 339.483 4.427 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2Cl)c(C)n1-c1nccs1 40090985 RZXBAAQBMYMXIX-UHFFFAOYSA-N 331.828 4.456 0 40 EIAB CC(C)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 45965530 JMMYYWSGARDZKP-UHFFFAOYSA-N 344.528 4.060 0 40 EIAB Cc1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)no1 67497301 WTKJJXZHCMROOW-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB COc1ccc([C@@H](C)N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 71796265 RYLCNMFQNKUXCQ-CYBMUJFWSA-N 338.407 4.018 0 40 EIAB CCc1cc2c(N[C@@H](CC)[C@H](O)c3ccccc3F)ncnc2s1 72304143 DPUCJKPCUQBSID-JKSUJKDBSA-N 345.443 4.317 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCc1ccc(C(F)(F)F)cc1 72331757 BDWKGXQGXDKOME-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB Cc1ccc2oc(-c3cccc(I)c3)nc2c1 73639020 SFJMPRPDWVBJMX-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB Cc1ccc(C(=O)Nc2[nH]nc(C3CC3)c2C)cc1Oc1ccncc1 75139663 YYPMPZNVCOKJCX-UHFFFAOYSA-N 348.406 4.344 0 40 EIAB Cc1[nH]c2ccccc2c1C1=CCN(Cc2nnc(C3CCC3)o2)CC1 83202276 LQWNETKCKUGCAG-UHFFFAOYSA-N 348.450 4.416 0 40 EIAB COc1ccc2[nH]cc([C@@H](CN)c3ccc(C(F)(F)F)cc3)c2c1 91690192 HWKKDRSGABSBEN-HNNXBMFYSA-N 334.341 4.286 0 40 EIAB C[C@@H](N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 95958775 JVVWCCXGHIASHJ-UZLBHIALSA-N 332.451 4.055 0 40 EIAB Cc1nnc([C@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 95987519 UYVPWJHRQILOLQ-XPTSAGLGSA-N 325.334 4.199 0 40 EIAB Fc1ccc2c(c1)c1nnc(S)nc1n2Cc1ccc(Cl)cc1 96319322 JSCKFYLKGWPLBB-UHFFFAOYSA-N 344.802 4.109 0 40 EIAB COCc1csc(NC(=O)N2CCCCC[C@H]2c2ccco2)n1 96435542 JAWSBXJTMDWPRL-ZDUSSCGKSA-N 335.429 4.032 0 40 EIAB COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@H]1[C@H](O2)C1(C)C 100063716 NGRRXMZEVSBATO-MJWYBRSISA-N 336.387 4.286 0 40 EIAB biogenic,in-vitro Cc1ncsc1C(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166660 VQDWTCCWXAFTFS-HZPDHXFCSA-N 330.428 4.141 0 40 EIAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102789494 YYDJJHKWQILILX-IDCNUPLLSA-N 342.483 4.114 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 113956046 FOSXTPLJXKFSLH-HNNXBMFYSA-N 325.742 4.414 0 40 EIAB COc1ccccc1NC(=O)N1CCS[C@H](c2ccccc2)CC1 208043063 ZJXMKBIBBVBVOS-SFHVURJKSA-N 342.464 4.407 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222583978 MJGKAEVSDKCLNO-UHFFFAOYSA-N 349.365 4.046 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COC(C)C 224422461 KLEPOXBZCTXOJQ-HNNXBMFYSA-N 327.424 4.111 0 40 EIAB Cc1ccc(O[C@H](Cc2cccc(Br)c2)C(=O)O)cc1C 225064087 YLKYEKVLDBSUTH-MRXNPFEDSA-N 349.224 4.141 0 40 EIAB COC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OCC(C)C 225787555 WVQNFQCKNITONV-UHFFFAOYSA-N 333.428 4.027 0 40 EIAB C[C@@H](NC(=O)c1conc1-c1ccccc1)c1ccc(Cl)cc1 225870290 YWSFLVTZBYPBNV-GFCCVEGCSA-N 326.783 4.486 0 40 EIAB NC(=O)/C=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 361633775 MNCMRZYRURPMMJ-RQOWECAXSA-N 349.230 4.483 0 40 EIAB COc1ccccc1N1CCC(Nc2ccnc3nc(C)ccc23)CC1 572099621 YHONUWZDGGGJIF-UHFFFAOYSA-N 348.450 4.028 0 40 EIAB Fc1ccc2c(C3CCN(c4nc(C5CC5)ns4)CC3)noc2c1 573052774 SUBVEGUUXIYHCU-UHFFFAOYSA-N 344.415 4.080 0 40 EIAB Cc1ccccc1-c1nnc(SCc2nc(C(C)(C)C)co2)n1C 1616035332 XMHPHNNJSOONOX-UHFFFAOYSA-N 342.468 4.368 0 40 EIAB CC(=O)Nc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 87589 CPTVIUJGTLMPFF-UHFFFAOYSA-N 339.420 4.321 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4cccc(OC)c4)ccc1c23 181096 IKAMHTBKSTWZJY-UHFFFAOYSA-N 346.386 4.081 0 40 EIAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 364370 PISZVZCTQRMTNT-UHFFFAOYSA-N 345.398 4.244 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)cc1 367549 STUSISOIPZTLHD-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)c1ccc(F)cc1 1338186 QWYOLJFKFOZLAL-UHFFFAOYSA-N 345.395 4.210 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ccc2ncsc2c1 2630759 WTKMOBRZDZSEMZ-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB CCc1cc2c(SCC(=O)Nc3ccccc3C)ncnc2s1 3240413 WZFQFVHZABWPCF-UHFFFAOYSA-N 343.477 4.293 0 40 EIAB C[C@@H]1CN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C[C@H]1C 4411209 CZDWKRSKCXMEKV-QCFAMHMHSA-N 341.495 4.258 0 40 EIAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1Cl 5130922 LFCUCROLHYOJSZ-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB Cc1cc(C)c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c(O)c1 5343278 ZPZPFAAUVQHVAA-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB CCn1cc([C@@H](C)NC(=O)/C=C/c2cccc3ccccc23)c(C)n1 6490251 CGOQJFPFXOQMKR-RDRICISKSA-N 333.435 4.255 0 40 EIAB CC(=O)c1cc2c(N)c(C(=O)c3cccc(Cl)c3)sc2nc1C 6527087 RNOPMZAWFLMMRU-UHFFFAOYSA-N 344.823 4.274 0 40 EIAB Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1Cl 6755343 JWMRXLCDOJQPHH-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB O=C(C[C@@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(F)cc1 6882977 YOSTYLCSFOUGCX-OAHLLOKOSA-N 338.787 4.297 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C 7053084 QQAKYOJTMQFRSF-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)cc1C 7448095 LDKWFDWSUBFQRB-UHFFFAOYSA-N 344.422 4.467 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8407038 SJDXXARNGLYFQM-INIZCTEOSA-N 343.810 4.089 0 40 EIAB CCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC)cc1 8482833 RGHDNTAWSWSAML-UHFFFAOYSA-N 341.436 4.095 0 40 EIAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 8768632 HOYAANWAHDIVLI-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB Cc1ccccc1C(=O)Nc1nnc(CCCc2ccccc2)s1 9196692 HLHCNTDQOMVTBK-UHFFFAOYSA-N 337.448 4.274 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 10544529 WODOOGSVVLJPSN-INIZCTEOSA-N 333.435 4.200 0 40 EIAB CCc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 12984571 NBMDRPWYEZUGJR-IBGZPJMESA-N 325.408 4.059 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 13011173 YZZDDKOIMRIFCI-CQSZACIVSA-N 343.279 4.088 0 40 EIAB Cc1ccc(-n2cnn(CN3CCC[C@H](C)C3)c2=S)cc1Cl 13097636 YEDBDWTXKXAIMF-LBPRGKRZSA-N 336.892 4.055 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)cc1 13646728 LUUNXPYWJSAWHV-OAHLLOKOSA-N 329.465 4.023 0 40 EIAB O=C(/C=C/c1ccc(Cl)s1)NCCc1c[nH]c2ccccc12 14268490 MUSRDOVIKTYWOS-SOFGYWHQSA-N 330.840 4.255 0 40 EIAB CCCOc1ccc(NC(=O)c2cccc(OC)c2)c2cccnc12 15840901 LGDAGGZGEHPSIB-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB COc1ccc(C)cc1NC(=S)Nc1c(F)c(F)cc(F)c1F 17071808 GUTRWJTYHCQQTC-UHFFFAOYSA-N 344.333 4.369 0 40 EIAB CCc1ccccc1N1C(=O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C1=O 18244054 ZCBHLUSOQLVXFZ-OTWHNJEPSA-N 333.431 4.322 0 40 EIAB CC(=O)c1cccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)c1 21103865 XQEQBAJEXALGMS-UHFFFAOYSA-N 338.338 4.244 0 40 EIAB O[C@@H](Cn1c(-c2cscn2)nc2ccccc21)c1ccc(F)cc1 25225773 RPBNRFTULGQQRI-KRWDZBQOSA-N 339.395 4.033 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 28575735 FKQVKPRBBFBAKO-OKILXGFUSA-N 331.387 4.116 0 40 EIAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1 30850569 QSEJWMAEYVQBDO-QGZVFWFLSA-N 337.872 4.219 0 40 EIAB CCC[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 32795336 GMCUPJKJDFOZFN-YOEHRIQHSA-N 340.423 4.317 0 40 EIAB O=C(Nc1ccccc1)C1CCN(c2ccc3ccccc3n2)CC1 34872107 KJYROCCPIRKZKW-UHFFFAOYSA-N 331.419 4.090 0 40 EIAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cc(-c2ccco2)on1 36709455 MLCDZQLZTYRWPO-UHFFFAOYSA-N 349.371 4.215 0 40 EIAB COc1ccccc1NCc1n[nH]c(=S)n1-c1ccc(C)cc1C 40163747 RAWZFVXDAQEYLU-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1cccc2ccccc12 44880900 XYBXYYPIZOKRBJ-MRXNPFEDSA-N 349.430 4.322 0 40 EIAB C[C@H](C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 56483108 SOJYKHLSICQEDA-ABAIWWIYSA-N 338.238 4.115 0 40 EIAB CSc1ccc(-c2noc(CN3CCc4ccccc4C3)n2)cc1 57427607 RJIDWIOCWYDYDA-UHFFFAOYSA-N 337.448 4.017 0 40 EIAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@H]1CCOc2ccccc21 58326159 JUNMWAUTFSUQAH-IBGZPJMESA-N 349.434 4.134 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351556 DCWDULGUNRPDIG-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@@H]1CCCc2ccccc21)C3 61997717 ACEBAOYNILNPCN-LJQANCHMSA-N 347.414 4.331 0 40 EIAB biogenic O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CCc2ccccc2C1 89851147 HKVWLDHDPFQQNM-NRFANRHFSA-N 344.458 4.288 0 40 EIAB C[C@@H](NCc1cnc(C2CCC2)s1)c1ccc(-n2cccn2)cc1 89904943 WEAHEUPFFJRFQE-CQSZACIVSA-N 338.480 4.447 0 40 EIAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2c(C)cccc2C)no1 95999097 IWHPSTHONPCOTN-HNNXBMFYSA-N 328.416 4.144 0 40 EIAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ncc(-c2ccccc2)o1 96436856 RLXQHQGOMFYDOK-QWHCGFSZSA-N 349.390 4.234 0 40 EIAB Cc1nn2c(=O)cc(-c3ccccc3Cl)[nH]c2c1-c1ccccc1 101173393 DZLNMIIZYUELPJ-UHFFFAOYSA-N 335.794 4.318 0 40 EIAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)N1CC=C(c2ccc(O)cc2)CC1 107334923 UBRNZKWJOZKRLC-SNRMKQJTSA-N 340.467 4.017 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSC(C)(C)C 113954308 GISXZQUWVMOIKN-CYBMUJFWSA-N 329.893 4.145 0 40 EIAB Cc1cc(C(=O)NCc2ccc([C@H](O)c3ccsc3)s2)c(C)o1 207964317 YAVDTZNGZSWADQ-MRXNPFEDSA-N 347.461 4.031 0 40 EIAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc32)cc1 216215036 KDSSEBLOISMXHT-WMQCIHAUSA-N 346.474 4.168 0 40 EIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c(Cl)c2)S1 222580706 DEEMIZKCPKMIGA-HNHYXYPQSA-N 345.855 4.030 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)cc1OC 222945669 JIEJCQPTVVMIHW-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219844 LZQNOIHLSGRTKN-XOBRGWDASA-N 341.426 4.349 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(C)c1 223491115 MKAGWOAFBZFJST-GOSISDBHSA-N 325.452 4.485 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(C)c1 223657629 YSTIHWSBVMCEMA-UHFFFAOYSA-N 345.464 4.208 0 40 EIAB O=C(OCc1ccc(Cl)cc1)c1snnc1-c1ccccc1 223833825 VQNZPQYATBZLNM-UHFFFAOYSA-N 330.796 4.216 0 40 EIAB CCOCc1cc(C(=O)NCc2ccccc2Cl)ccc1OCC 224692699 PEPAQTLVNHNSJC-UHFFFAOYSA-N 347.842 4.205 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224927547 PYOZRGCYQDDJMF-FQEVSTJZSA-N 338.451 4.391 0 40 EIAB COC(=O)c1cc2cc(NC(=S)NC3CCCCC3)ccc2s1 225212013 KTHZQXUQQJOBGM-UHFFFAOYSA-N 348.493 4.307 0 40 EIAB COc1cccc(CCCNC(=S)Nc2ccc(Cl)cc2)c1 225552550 HBRLTZDPPXHHHV-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C 225904962 BJEMLHVJTNQDOA-IBGZPJMESA-N 336.476 4.349 0 40 EIAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(Cl)c(Cl)c1 227146793 CHUYPSUMNDSPIS-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB Cc1cc(-c2csc(NC(=O)[C@H]3CCC(F)(F)C3)n2)c(C)o1 331435688 UWIIZXKHXBVSJT-JTQLQIEISA-N 326.368 4.394 0 40 EIAB Cc1cc(CSCC2CCNCC2)nc(-c2ccc(Cl)cc2)n1 571878898 VDAOLUSMLBYCAF-UHFFFAOYSA-N 347.915 4.338 0 40 EIAB O=C(COc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 575414703 JSIOCPDKUAHMCW-KRWDZBQOSA-N 329.446 4.094 0 40 EIAB CC[C@H]1CCC[C@@H]1NC(=O)c1c(C)nc(C(C)(C)C)nc1SC 1525915615 HDELRURETJSJHH-STQMWFEESA-N 335.517 4.113 0 40 EIAB O=C1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccc1 1547139803 IMEAOUHJWLFXCD-ZJOUEHCJSA-N 333.431 4.054 0 40 EIAB COc1cc2c(cc1OC)CN(c1nc3cc(Cl)ccc3o1)CC2 1889250651 KGPNPPHGIVAIHL-UHFFFAOYSA-N 344.798 4.061 0 40 EIAB Cc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl 88222 NZDFJFDLBZMFJW-UHFFFAOYSA-N 338.716 4.366 0 40 EIAB CSc1cc(C(C)(C)C)nn1C(=O)C(Cl)=C(Cl)Cl 159632 KHZNOKUIWROCBI-UHFFFAOYSA-N 327.664 4.428 0 40 EIAB Cc1ccc(-c2nnc3sc(Cc4ccccc4Cl)nn23)cc1 385041 UCLZDDWQZJDMLB-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB COc1cccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c1 506622 KCHIHPANGZZJOC-UHFFFAOYSA-N 328.371 4.061 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 568316 YKEXUXBZQUQOGH-UHFFFAOYSA-N 333.435 4.188 0 40 EIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1Cl 1993579 PIGKHCRWENRFCU-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB CC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 2092806 VLJBAHSCBUFIGT-PKOBYXMFSA-N 335.488 4.496 0 40 EIAB biogenic C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C 2632908 MPONUORKLAZGEY-CHWSQXEVSA-N 349.352 4.451 0 40 EIAB CCSc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1 2652464 UOYBCSPCVXZHGY-UHFFFAOYSA-N 341.436 4.064 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1Cl)c1ccccc1 3216381 BWCDHVUAYWSRRI-OAHLLOKOSA-N 345.826 4.324 0 40 EIAB O=C(COC(=O)c1cccs1)c1ccc2c(c1)-c1ccccc1C2 3321451 RCKYJNCEIDIXHO-UHFFFAOYSA-N 334.396 4.359 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849749 SVLVKYHISIXPST-RIHITMGFSA-N 332.484 4.401 0 40 EIAB C/C(=C\c1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 4722493 YNMWXBFFSZCQPW-FMIVXFBMSA-N 340.448 4.340 0 40 EIAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1 5127298 HMZGROAIIWSKMM-UHFFFAOYSA-N 347.842 4.038 0 40 EIAB CC(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 5373604 PTEQSIKDEQZNEI-UHFFFAOYSA-N 346.789 4.031 0 40 EIAB O=C(COc1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2 6010805 LFIUSXMJTAOCRR-UHFFFAOYSA-N 335.447 4.304 0 40 EIAB O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccc(F)cc1 6305371 QZHRVRNXQRDOQX-UHFFFAOYSA-N 326.198 4.034 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)OCc1coc(-c2cccs2)n1 6383985 PWOVCCBBCCFWKX-UHFFFAOYSA-N 338.388 4.170 0 40 EIAB O=C(c1ccc(COc2ccccc2)cc1)N1CCc2ccccc21 6997731 KIGTZYCTDBDLCH-UHFFFAOYSA-N 329.399 4.469 0 40 EIAB COc1ccc(/C=C/c2nc3ccccc3s2)c(OC)c1OC 7745985 YXTDYJBZXZXXQF-PKNBQFBNSA-N 327.405 4.493 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2C)c(C)n1 8139882 CVBCMHOBNMYKEO-UHFFFAOYSA-N 349.887 4.348 0 40 EIAB C[S@@](=O)Cc1cccc(C(=O)OCc2cccc3ccccc23)c1 10776825 AVZFCWUQDLOKTP-DEOSSOPVSA-N 338.428 4.075 0 40 EIAB O=C(CNc1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1 11116042 TZPYCJLWEHKOLW-LJQANCHMSA-N 340.423 4.205 0 40 EIAB O=C(CCc1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 12593642 UJPQGBQGZXFSQC-UHFFFAOYSA-N 329.421 4.361 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 12856688 DWNZTBPMSKXMNZ-BDJLRTHQSA-N 349.402 4.085 0 40 EIAB Cc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1 13669255 HUENJHZSUFGVAH-UHFFFAOYSA-N 333.884 4.490 0 40 EIAB COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 14227579 QRBJVWLYJCADHV-UHFFFAOYSA-N 341.388 4.223 0 40 EIAB COc1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 14241555 XFIVIUKLVKMZHU-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB CC(C)(C)SCCNC(=O)CCCOc1ccc(Cl)cc1 14399947 BDZHEVBFLSXMKU-UHFFFAOYSA-N 329.893 4.147 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCCc3ccccc3)ccc2c1 17357482 UUPVKJSSLDXBKW-INIZCTEOSA-N 333.431 4.311 0 40 EIAB CC(C)c1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19201873 FMUVTAXZJKTZJG-SFQUDFHCSA-N 344.480 4.290 0 40 EIAB O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2sccn12 19927784 OOLAGZSJAGBBJT-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB CCCCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl 19942741 VCCUNTAXDXQSCA-UHFFFAOYSA-N 345.892 4.130 0 40 EIAB COc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1Cl 19943408 CNVPPURHHDSDBF-UHFFFAOYSA-N 347.823 4.303 0 40 EIAB O=C([C@H]1Cc2ccccc2S1)N1CCC(Cc2ccccc2)CC1 21970532 MKXWMQMGNCDCTO-HXUWFJFHSA-N 337.488 4.185 0 40 EIAB Cc1cccc(Nc2ncccc2C(=O)NCCc2ccccc2)c1 22072243 CXGHAKUAAHRKHI-UHFFFAOYSA-N 331.419 4.106 0 40 EIAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3F)sc2c1 24550399 SZTNOOKMXZIZMW-NSHDSACASA-N 330.384 4.150 0 40 EIAB CN(CCC(=O)Nc1cccc(F)c1)Cc1ccc2ccccc2c1 25679503 VYWKZAWLKBNXNB-UHFFFAOYSA-N 336.410 4.440 0 40 EIAB FC(F)(F)Oc1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1 26705660 KAMQUSNJLIJWJH-UHFFFAOYSA-N 341.314 4.256 0 40 EIAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCC(C)C 27632072 HSMOMNDMPSABFR-UHFFFAOYSA-N 340.471 4.355 0 40 EIAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)C1CC1 32882800 PRYUFCVRFLFRCG-UHFFFAOYSA-N 327.334 4.447 0 40 EIAB CON(C)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 33010730 UQSJOBOHNNGICQ-UHFFFAOYSA-N 348.431 4.418 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccsc2)c1 36366288 PJWQOOLLCHQNOB-AWEZNQCLSA-N 325.393 4.066 0 40 EIAB Cc1ccc(SC[C@H]2CSc3nc(=O)c4ccccc4n32)cc1 36724544 VJXVBYUPESZCHB-ZDUSSCGKSA-N 340.473 4.144 0 40 EIAB Brc1cc(Cc2ccccc2)ccc1OC[C@H]1CCNC1 42770244 BVKVUSKTVDHRLV-INIZCTEOSA-N 346.268 4.028 0 40 EIAB Cc1cccc(-c2nnc([C@H](C)N(C)Cc3cnc(C)s3)o2)c1 53144782 FZPKCIWYXUENEA-LBPRGKRZSA-N 328.441 4.003 0 40 EIAB Cc1ccccc1C[S@](=O)Cc1nc(-c2ccccc2Cl)no1 58135058 VYRCYJANHPBOTL-HSZRJFAPSA-N 346.839 4.147 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)c2sccc2C2CC2)cc1 58280646 JSOKGEMLMMNYGU-UHFFFAOYSA-N 330.409 4.446 0 40 EIAB Cn1cccc1CN(C(=O)NCc1cccc2ccccc12)C1CC1 62018351 BTGHMUUGLXRODT-UHFFFAOYSA-N 333.435 4.053 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(Cn2cccn2)cc1 69186902 YNIQVYXAHQUEPX-AWEZNQCLSA-N 340.452 4.218 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)c1[nH]ncc1Br 72243026 PLKKQBWAKGEKIL-UHFFFAOYSA-N 342.196 4.092 0 40 EIAB COc1ccc(CN2CCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 72390164 MAEBEAOUXZZIMD-INIZCTEOSA-N 341.436 4.144 0 40 EIAB c1ccc(-c2cc3c(N4CCO[C@H]5CCC[C@@H]54)ncnc3s2)cc1 75103518 KIJFFUDOOALQJH-HOTGVXAUSA-N 337.448 4.116 0 40 EIAB Cc1nc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)s1 75107234 WCXXIUWLMAZKBW-UHFFFAOYSA-N 335.479 4.126 0 40 EIAB Fc1cccc(-c2noc(C3(c4cccc(F)c4)CCOCC3)n2)c1 75134671 PSSRVSAUWKKSCI-UHFFFAOYSA-N 342.345 4.111 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(F)c(OC)c(F)c1 96417979 BIUWLMGMIGGVFS-MRXNPFEDSA-N 349.381 4.374 0 40 EIAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1ncc(-c2ccccc2)o1 96437056 JHCDQLYIWIYRFK-CQSZACIVSA-N 347.418 4.424 0 40 EIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cc(C)cc(C)c1 100891120 ZIRRYRGTEVSWNM-UZLBHIALSA-N 338.407 4.082 0 40 EIAB O=C(NCCOc1ccccc1Cl)c1ccc(Cl)cc1Cl 223371599 VTQQDIVLSWYEHK-UHFFFAOYSA-N 344.625 4.456 0 40 EIAB CCN(CCNC(=O)c1ccc(C)cc1Cl)c1ccc(C)cc1 225005541 AVEWVRBSCICOIH-UHFFFAOYSA-N 330.859 4.213 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCSCc1cccc(C)c1 225035374 IUFGOSHQTLYWFY-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225076920 BGHLQKRZWHETIH-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1Cl 225079593 IUNMYADZGWLXFB-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCOc1ccc(C(=O)NCCCOC2CCCCC2)cc1Cl 225698887 LTXOJXFXVDIFTB-UHFFFAOYSA-N 339.863 4.208 0 40 EIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1C 225706627 ZYDJNKYQMXMECP-AWEZNQCLSA-N 342.464 4.122 0 40 EIAB CCCCOc1ncc(NC(=O)[C@](C)(CCC)OCCC)cc1C 225906031 VBIXKGVDTJVEGL-IBGZPJMESA-N 336.476 4.493 0 40 EIAB Cc1ccc(CCCC(=O)Nc2ccn(Cc3ccccc3)n2)s1 257173654 UJKIVRSOAFJKGW-UHFFFAOYSA-N 339.464 4.263 0 40 EIAB CC(C)(C)NC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408722641 VMWUEOMCOQVMOJ-UHFFFAOYSA-N 331.419 4.339 0 40 EIAB CN(C(=O)c1occ2c1CCC2)[C@@H](c1ccccc1)c1ccccn1 585081626 DGAUCUCRNPTMQT-IBGZPJMESA-N 332.403 4.025 0 40 EIAB O=C(CSc1ccc(F)cc1)NCC(c1ccco1)c1ccco1 675007839 UEFICKZIBPVTIW-UHFFFAOYSA-N 345.395 4.052 0 40 EIAB Cc1ccccc1NC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2 284094 ZOUNJMWMSVGWMW-UHFFFAOYSA-N 342.464 4.392 0 40 EIAB COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 422724 TZTWPVHOPZQYGM-UHFFFAOYSA-N 340.404 4.029 0 40 EIAB CCOC1=C[C@@H](c2ccc3c(c2)OCO3)CC(=O)c2c(C)oc(C)c21 802302 AZTGJHWGQVQBQV-AWEZNQCLSA-N 340.375 4.373 0 40 EIAB COc1cccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1 3514774 DMKZOYDBAZXKEC-UHFFFAOYSA-N 347.455 4.029 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2cc(C)cc(C)c2)c1 4120180 KUSKJJBOXPFGIR-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB Cc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1 4372187 USHIUJKTPUMJTC-YJBOKZPZSA-N 328.412 4.069 0 40 EIAB Cc1cccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)c1 5615086 CIPOPMZFKQGDCZ-UHFFFAOYSA-N 342.464 4.125 0 40 EIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc(C(F)(F)F)c1 5688497 XWDRNMXXWKXAOX-GFCCVEGCSA-N 334.341 4.095 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)S[C@@H](C)C(=O)N2 6678470 NNCLPCHDRRAINK-JVXZTZIISA-N 342.251 4.188 0 40 EIAB Cc1ccc2c(CC(=O)Nc3nc(-c4ccncc4)cs3)coc2c1 6830895 QKHJRRACABUANE-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCSc3ccccc32)s1 7989198 JLAKQNRECRVVIP-AWEZNQCLSA-N 345.489 4.373 0 40 EIAB O=C(NCc1cccs1)c1ccc(-n2cnc3ccccc32)cc1 8130984 YIYKVEYMOABTKU-UHFFFAOYSA-N 333.416 4.017 0 40 EIAB Cn1ccnc1[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 9512960 XHAKFTAQRRHHPN-HXUWFJFHSA-N 341.414 4.093 0 40 EIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccccc1 10110871 FMSUNZDZPNOCMS-MRXNPFEDSA-N 343.492 4.315 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1 12618043 GSKYYQUENKUYKQ-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB Cc1cc(C(=O)Nc2sccc2C(N)=O)sc1-c1ccccc1 13326940 WHRDKEDYLJXPIF-UHFFFAOYSA-N 342.445 4.136 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(C(C)(C)C)cc1 13668089 JZEOQYRXRWDQSR-AWEZNQCLSA-N 349.471 4.304 0 40 EIAB C=C=Cn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 14095561 AYBOJLMEGRJKNR-KRWDZBQOSA-N 343.430 4.429 0 40 EIAB C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc2c(c1)CCCC2 14180350 UEOHMWSLBSNFSO-INIZCTEOSA-N 336.479 4.118 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc2ccc(C)nc12 15835280 MSGDHWHNBYPCAX-KRWDZBQOSA-N 338.382 4.478 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 20459285 MSXLQHDQXZQHCA-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB CCC(=O)N1CCCc2ccc(NC(=O)Nc3cccs3)cc21 22502837 RLPPFLZIAFYMKI-UHFFFAOYSA-N 329.425 4.081 0 40 EIAB Cc1cc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)ccc1F 23625068 WGOIMHQYZBZRPG-UHFFFAOYSA-N 325.368 4.094 0 40 EIAB CN(Cc1cnn(C)c1)C(=O)c1cc2sc3ccccc3c2s1 25048338 FDALCTKEUQHMLP-UHFFFAOYSA-N 341.461 4.122 0 40 EIAB CC(C)c1ccc(CN2CCN(c3cnc4ccccc4n3)CC2)cc1 26136377 IJGVLPUGCOFCQD-UHFFFAOYSA-N 346.478 4.075 0 40 EIAB CCC(CC)c1nnc(NC(=O)c2coc(Br)c2)s1 30654986 QGYWHIFFSBEGDC-UHFFFAOYSA-N 344.234 4.050 0 40 EIAB O=C(Nc1cccc(-c2noc(-c3ccccc3)n2)c1)c1ccccn1 32609622 XNVPFEXKAGATJW-UHFFFAOYSA-N 342.358 4.051 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)NCCC1=CCCCC1 32709620 VWMLSYIZPPTOGP-UHFFFAOYSA-N 340.492 4.283 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)c(C)c1 32930327 LIKBOQXJKVCVCM-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB Cc1cccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1C 32930409 KIFYBAAAUQNPFI-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc2ccccc2c1 36649127 DDHIQLUUYJRLEX-UHFFFAOYSA-N 340.382 4.459 0 40 EIAB CC(C)(CO)[C@H](O)C(C)(C)[C@@H]1Nc2ccccc2-c2ccccc21 38337881 WDDNCWFDWZLAAL-MOPGFXCFSA-N 325.452 4.226 0 40 EIAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1C 41096712 PPTNGWMGJHOFAS-NSHDSACASA-N 336.284 4.255 0 40 EIAB CCSc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 44945722 RKFBUCPLCGJWTD-CSKARUKUSA-N 327.405 4.179 0 40 EIAB CCCOc1ccc2cc(C(=O)c3ccc(OC)cc3OC)oc2c1 58014363 JDTIRHATCANDCE-UHFFFAOYSA-N 340.375 4.470 0 40 EIAB FC(F)(F)c1cnc(NC[C@H]2COc3ccccc3O2)c(Cl)c1 58358211 BQWJZCKPIYZUPD-JTQLQIEISA-N 344.720 4.006 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351955 VRGATOQOKUFIIC-FZKQIMNGSA-N 347.842 4.383 0 40 EIAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OC(C)C)CC(O)=N2 61721169 WGFCIRKLZGWHAX-NSHDSACASA-N 347.440 4.104 0 40 EIAB CC(C)(C)CC(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1 69622242 QQHBTSCRTHXUOF-CQSZACIVSA-N 335.398 4.114 0 40 EIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@@H](C)C1 71857092 WNXLEPAWDVJLBN-CYBMUJFWSA-N 342.468 4.200 0 40 EIAB CC(C)Oc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72211954 AYDWNHLGRJJATM-SFHVURJKSA-N 340.423 4.343 0 40 EIAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccco1 72229907 MQFRWAHMGAHVSA-KRWDZBQOSA-N 327.767 4.267 0 40 EIAB O=C(Nc1ccc(-c2nccn2C(F)F)cc1)N1CCC2(CCC2)C1 96466941 JEYYROLLQZXITE-UHFFFAOYSA-N 346.381 4.353 0 40 EIAB Cc1cc(-c2nnc(CN[C@@H](C)[C@H](C)c3ccccc3)o2)c(C)o1 97110002 WLSVMDUXWMXXQJ-KBPBESRZSA-N 325.412 4.228 0 40 EIAB O=C(OCCOc1ccccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 97496415 WPHDVBLOLCBWEU-NWDGAFQWSA-N 334.309 4.116 0 40 EIAB CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 100156339 VNCGCWHQHLKOHZ-BETUJISGSA-N 347.484 4.234 0 40 EIAB c1ccc(-c2cc3c(N4CCO[C@H]5CCC[C@H]54)ncnc3s2)cc1 107070483 KIJFFUDOOALQJH-CVEARBPZSA-N 337.448 4.116 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)COc1ccccc1C 219317132 AEBPBETUQQJWMG-IEBWSBKVSA-N 341.451 4.045 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 219512391 DBPVOIVFXOJCSK-SFHVURJKSA-N 325.452 4.128 0 40 EIAB COc1ccc(NC(=O)CCc2cccc3ccccc23)c(OC)c1 222658942 XEZIDOUFFQUVFO-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 302767596 NAPWHPTYGCUCFH-UHFFFAOYSA-N 337.778 4.447 0 40 EIAB Cc1cc(C)c(C)c(C(=O)[C@@H](Br)CBr)c1C 382686663 GERQYRRTJDDTOW-NSHDSACASA-N 348.078 4.261 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)N2CCOc3ccc(C)cc3C2)c1 573034798 RNHYJSGUFSALCY-HNNXBMFYSA-N 340.423 4.129 0 40 EIAB O=C(NCC1(c2ccsc2)CC1)c1cc(Br)cs1 1888914159 FXESBERCQAGKMX-UHFFFAOYSA-N 342.283 4.034 0 40 EIAB CC1(C)Nc2ccccc2C(=O)N1c1ccc(Br)cc1 82888 DQOQCMQXBOGZGD-UHFFFAOYSA-N 331.213 4.258 0 40 EIAB O=Cc1cc(Cl)cc(Cl)c1OC(=O)c1c(F)cccc1F 159293 FLDMKNUXCUOARR-UHFFFAOYSA-N 331.101 4.303 0 40 EIAB Cc1cc(N)n(-c2ncnc3scc(-c4ccc(Cl)cc4)c23)n1 351583 CJVYTORHCUQKCG-UHFFFAOYSA-N 341.827 4.088 0 40 EIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(O)c1 1739349 QFEKNTWDMBSFRL-UHFFFAOYSA-N 346.597 4.370 0 40 EIAB Cc1ccc(C(=O)[C@@H](Sc2nncn2C)c2ccc(C)cc2)cc1 3523751 IFHACACFDFWZTE-SFHVURJKSA-N 337.448 4.148 0 40 EIAB Cc1cccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(F)cc23)c1 4372185 IPRMWIFSEBYCAX-YJBOKZPZSA-N 328.412 4.069 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1C 4695013 WPZDSKXEQWEKHA-UHFFFAOYSA-N 337.448 4.192 0 40 EIAB COc1ccc(C(C)=O)cc1Cn1c(SC)nc2ccccc21 5186768 DRCCZWXYIQWCQY-UHFFFAOYSA-N 326.421 4.018 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N1c2ccccc2C[C@@H]1C 5628765 ICUYXTJHZTXYRJ-STQMWFEESA-N 338.432 4.286 0 40 EIAB CCOc1ccccc1Nc1nnc(S[C@H]2CCCCC2=O)s1 6223735 ANCIQTNVNSEHRJ-AWEZNQCLSA-N 349.481 4.284 0 40 EIAB CCC[C@@H](C)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 6274308 HWJJMFUEYUSHGQ-SECBINFHSA-N 341.839 4.415 0 40 EIAB Cc1c(C(=O)NC2CCCC2)sc2nc(-c3ccccc3)cn12 6309227 NXICVPBXFJILAL-UHFFFAOYSA-N 325.437 4.044 0 40 EIAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2Br)c1 6338560 OCSAOKSJWCVACY-UHFFFAOYSA-N 348.240 4.474 0 40 EIAB CSc1ncccc1C(=O)NC(c1ccccc1)c1ccccc1 6789286 FYFLUTWJBOHCLD-UHFFFAOYSA-N 334.444 4.323 0 40 EIAB Cc1cc(C)cc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)c1 6914977 SASDTCPKDCZACC-UHFFFAOYSA-N 339.826 4.115 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 7717408 RNQSNWZHSSOBRO-MDZDMXLPSA-N 333.391 4.038 0 40 EIAB O=C(/C=C/c1ccc2ccccc2n1)N[C@H]1CCCc2ccccc21 7779508 SDADXQVOWXWXNQ-JLVIMGNISA-N 328.415 4.442 0 40 EIAB C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCc2ccccc21 8308442 XBVWQKQXOJRBKZ-LLVKDONJSA-N 335.234 4.383 0 40 EIAB CN(Cc1ccccc1)C(=O)CSC1=Nc2ccccc2CS1 8937718 OQLSJXOFEJAJBK-UHFFFAOYSA-N 342.489 4.313 0 40 EIAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cccc(Cl)c1Cl 8986846 XHEYPBCCEGVDPS-LLVKDONJSA-N 338.190 4.190 0 40 EIAB CCc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9063093 HHCATHCGWSRBPI-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCc1ccc(Cl)cc1 9516562 TYMCGQXILARNRK-AWEZNQCLSA-N 346.858 4.260 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=S)Nc1ccccc1 10122647 VXTZAAALHZFOIJ-UHFFFAOYSA-N 327.453 4.025 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1Br 10541847 ZJOZVDGVVILBDA-UHFFFAOYSA-N 346.224 4.051 0 40 EIAB CCOc1ccc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 10963713 QIJVSBNEEZMEQV-KRWDZBQOSA-N 345.439 4.120 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 12774308 KFJBPMIBCUJPIE-UHFFFAOYSA-N 329.465 4.126 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1OC 13816220 YPRCZJAWRYHIMH-CYBMUJFWSA-N 330.453 4.060 0 40 EIAB O=C(NC(=S)Nc1nccs1)c1cccc2c(Cl)cccc12 14257681 CGIILFSRYJVIJA-UHFFFAOYSA-N 347.852 4.077 0 40 EIAB Cc1cc(OCC(=O)Nc2nc3c(s2)CCC3)ccc1C(C)C 15636656 AUDHTHRYOAPTDK-UHFFFAOYSA-N 330.453 4.081 0 40 EIAB Cc1ccccc1CN1CC[C@@H](c2nc(-c3cccs3)no2)C1 19237165 WOGMYKLKAAQWJT-OAHLLOKOSA-N 325.437 4.096 0 40 EIAB Cc1nc(C)c(C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)s1 19560341 VLLZCVFWLVLISA-XSLAGTTESA-N 340.492 4.462 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)cc2C)c1 20142165 PNSCPZHYTAGGAP-CYBMUJFWSA-N 327.380 4.123 0 40 EIAB COc1ccccc1CCC(=O)OCC(=O)c1cccc2ccccc12 21990675 MJAKXFVVTMYUSU-UHFFFAOYSA-N 348.398 4.207 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccc(C)cc1 22527184 RTTRKCLTGADWRY-OAHLLOKOSA-N 329.465 4.143 0 40 EIAB Oc1ccccc1N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 23699454 HFJXMZFKWSLJRO-UHFFFAOYSA-N 340.511 4.121 0 40 EIAB FC(F)(F)c1ccnc(N2CCC(c3nc4ccccc4o3)CC2)n1 24053490 IFDABKMOZYEWHW-UHFFFAOYSA-N 348.328 4.021 0 40 EIAB CCCC(=O)Nc1ncc(Cc2ccccc2Br)s1 24835583 UNDISGGMOUJHQM-UHFFFAOYSA-N 339.258 4.235 0 40 EIAB COc1cccc(-c2csc(SCc3ccc(C(=O)O)o3)n2)c1 26421263 NYTDUCCYYJHCTG-UHFFFAOYSA-N 347.417 4.402 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 27793179 JZXPLEVNMGNKFG-LJQANCHMSA-N 342.870 4.215 0 40 EIAB Cc1ccc([C@@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1 32865748 JPIPDFXVRSEXKF-OAQYLSRUSA-N 339.410 4.365 0 40 EIAB CCOc1ccc2c(c1)[C@@H](SCCC(=O)O)CC1(CCCC1)O2 32918807 TWBORUDDGBKBQZ-INIZCTEOSA-N 336.453 4.430 0 40 EIAB CC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C 33149993 AGKYCEIZFGWGFI-UHFFFAOYSA-N 340.404 4.475 0 40 EIAB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 35647396 XUAVISZZYBXXDU-XNTDXEJSSA-N 344.823 4.431 0 40 EIAB CCOc1ccc(CCC(=O)Nc2cccc(OC)c2)cc1OCC 38753919 ISUUYEHJATZHQU-UHFFFAOYSA-N 343.423 4.064 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40288400 LVBSGNGMJALERP-INIZCTEOSA-N 337.354 4.144 0 40 EIAB CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(F)c2)c1 48367631 ZIJAJDFXNZEKLF-UHFFFAOYSA-N 337.398 4.446 0 40 EIAB c1ccc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)cc1 49169330 VLIBVCLOTXFJEF-INIZCTEOSA-N 344.418 4.207 0 40 EIAB biogenic,in-vitro Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 49543906 CBWJAHJALFCEDU-LBPRGKRZSA-N 327.771 4.457 0 40 EIAB CCOC(=O)N(C)c1ccc(NC(=O)c2cccc3cccnc23)cc1 54312963 ICWADOHEKZMTEA-UHFFFAOYSA-N 349.390 4.080 0 40 EIAB Cc1nn(C)c2sc(C(=O)N(C)c3ccc4ccccc4c3)cc12 54640849 IAWUUMNNXZHZLX-UHFFFAOYSA-N 335.432 4.373 0 40 EIAB Cc1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)n(C)n1 62922900 AOYVVOVJHBDWQI-KDOFPFPSSA-N 341.455 4.076 0 40 EIAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1nc(-c2ccccc2)c[nH]1 69489190 TYNODSOMTZZGCP-LLVKDONJSA-N 343.789 4.360 0 40 EIAB CC[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)c1c(C)noc1C 69491196 LCCGWRPMUJORKK-GFCCVEGCSA-N 338.810 4.236 0 40 EIAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330132 UDUPOLGEOIARPX-UHFFFAOYSA-N 349.789 4.145 0 40 EIAB COc1ccc(CC(=O)N(CCC(C)C)C2CCCC2)cc1OC 75572310 ONFRJARPNNYUMI-UHFFFAOYSA-N 333.472 4.064 0 40 EIAB Cc1cnc([C@@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)s1 80445393 DEORYTORXRXCDM-HNNXBMFYSA-N 345.443 4.030 0 40 EIAB C[C@H](O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 84651535 BDIXDKRWWBOYQU-VIFPVBQESA-N 330.737 4.419 0 40 EIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1nc2ccccc2s1 89522689 BSEJMCBQUAQCHG-ZDUSSCGKSA-N 341.440 4.005 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F 89526305 KTUCSNNFQHCQEB-WCQYABFASA-N 345.418 4.427 0 40 EIAB COc1ccc(C(=O)[C@@H]2CCCN2c2nc3ccccc3s2)cc1 95427466 NPJGJUJDIDHNRJ-INIZCTEOSA-N 338.432 4.157 0 40 EIAB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)c1ccc(F)cc1F 95451252 NTAPXQYUYNZLIY-SFHVURJKSA-N 347.405 4.187 0 40 EIAB CC(=O)Nc1ccc2onc(CSc3nc4ccccc4o3)c2c1 95482010 ZJWYRRLXHQGRFI-UHFFFAOYSA-N 339.376 4.220 0 40 EIAB CC[C@@H](NC(=O)Nc1nnc(C(F)F)s1)c1cc(F)ccc1F 96420145 OQNPQGQPFOWXKA-SECBINFHSA-N 348.325 4.027 0 40 EIAB Cc1oc(-c2ccccc2)nc1COc1ccc(CCC(=O)O)cc1 97103278 BVILYIQBHXIHEN-UHFFFAOYSA-N 337.375 4.246 0 40 EIAB O=C1[C@@H]2[C@H]([C@@H]3[C@H]4C[C@@H]([C@H]5[C@H]4[C@H]4C=C[C@@H]5C4)[C@@H]13)[C@@H]1C[C@@H]2[C@H]2[C@H]3C=C[C@@H](C3)[C@H]12 102936131 NCVGHTNYYDKVAM-ZMGDAKEWSA-N 344.498 4.210 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(OC)cc1 113959848 IIKXXKQGZYPTAP-VQTJNVASSA-N 341.451 4.429 0 40 EIAB COc1cccc(F)c1NC(=O)Nc1cnn(C2CCCC2)c1C 194033176 DRJOPZFZVWYXTH-UHFFFAOYSA-N 332.379 4.098 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCCSc2ccc(Cl)cc2)c1 218947934 MQXCMWNWCRWRGY-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(C(C)C)cc2)c1 224016447 UEWRZXCFIPPDOQ-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CCc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1 225634986 QBXVLLJAJYDIBM-OAHLLOKOSA-N 328.481 4.311 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 225639326 OFNROJLHYHAWRB-INIZCTEOSA-N 328.481 4.366 0 40 EIAB COc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225657001 XZBLAVIBVPFYIV-UHFFFAOYSA-N 327.424 4.066 0 40 EIAB COc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cn1 225874778 MHNFEVWZRBVLBH-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cn1 225904544 UGZQMBJNDVZIGA-IBGZPJMESA-N 336.476 4.430 0 40 EIAB CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1cc2ccccc2o1 390830165 JEWODPUAFRNQQJ-INIZCTEOSA-N 346.333 4.220 0 40 EIAB O=C(O)[C@@H]1CN[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)S1 408979177 POEFQJXNTOMDOP-AAEUAGOBSA-N 344.219 4.042 0 40 EIAB Clc1ccccc1-n1cc(-c2nc(Cc3ccccc3)no2)cn1 521354976 BNWHYXOQQYQHTH-UHFFFAOYSA-N 336.782 4.167 0 40 EIAB CC[C@@H](C)OC(=O)OCCCC(F)(F)C(F)(F)Br 1083809798 KEDKVBFPVKANIB-SSDOTTSWSA-N 339.123 4.341 0 40 EIAB Cc1nscc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 1615585524 BVJWSDHGJFFQAG-UHFFFAOYSA-N 333.413 4.051 0 40 EIAB CCOc1ccc(C(=O)NCc2cc(-c3ccco3)cs2)cc1 1775968690 LHBKQCVGPZYOPO-UHFFFAOYSA-N 327.405 4.337 0 40 EIAB CCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 176685 XYEIXRLIJICFHU-MHWRWJLKSA-N 327.767 4.083 0 40 EIAB Cc1cccc(C(=O)Oc2ccc(C(=S)N3CCCCC3)cc2)c1 193156 RDVMOAUOEYXTNF-UHFFFAOYSA-N 339.460 4.376 0 40 EIAB Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)cc1 495261 LIVKPUJDLLFZJG-UHFFFAOYSA-N 329.812 4.353 0 40 EIAB CCOC(=O)[C@H](Cc1ccccc1Cl)c1nc2ccccc2[nH]1 551853 GJIZISOUDZIGHZ-CYBMUJFWSA-N 328.799 4.106 0 40 EIAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 571568 SADLNGAUBFVBPP-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(F)c2)n1 1425850 INBDJRYNKKTEHU-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O=C(NC1CCCCCC1)c1cccc(OC(F)(F)C(F)F)c1 2764172 BBMVZOSAIZTOBZ-UHFFFAOYSA-N 333.325 4.376 0 40 EIAB CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 3273311 PRBLZCVYLJSEPU-SFHVURJKSA-N 345.826 4.125 0 40 EIAB CCc1cccc2c(C(=O)COC(=O)/C=C/c3ccc(C)o3)c[nH]c12 3424818 FFHWNHNJNVRKQX-MDZDMXLPSA-N 337.375 4.071 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccc(Cl)c1 4275893 UOWNNZXRWQNRRC-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB Cc1cc2occ(CC(=O)OCC(=O)c3ccc(F)cc3)c2cc1C 4493659 SUWXHKYQOXYGGE-UHFFFAOYSA-N 340.350 4.157 0 40 EIAB O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854345 KKRJUJANLXDINP-LJQANCHMSA-N 335.382 4.264 0 40 EIAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 5555583 PLSXINGHDFOHDL-SFHVURJKSA-N 329.465 4.307 0 40 EIAB COc1ccc(-c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 5796183 FKIDMRMLXQSYNX-UHFFFAOYSA-N 335.791 4.024 0 40 EIAB CC(C)CC(CC(C)C)NC[C@@H](C)OC(=O)c1ccc(N(C)C)cc1 5834634 AEOQPTWXOZLPNF-QGZVFWFLSA-N 348.531 4.348 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1C 5935796 IUKJYOVWJDCBCN-UHFFFAOYSA-N 343.477 4.226 0 40 EIAB CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 6552574 BWRFDFOTYXDYHZ-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 6587918 ZNCJWUGGPGMIPX-CQSZACIVSA-N 325.408 4.153 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(C)o2)cc1 6747396 AFMJRXXYDSVAEF-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB CC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(F)c1 7737704 SNHAORJXTKWUGX-UHFFFAOYSA-N 332.806 4.008 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2ccco2)cc1 8229632 HTBWUOSJSNVBBX-JXOMPUQVSA-N 325.408 4.445 0 40 EIAB CCOc1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 10404328 ISYPKHRMIIORNM-UHFFFAOYSA-N 336.391 4.203 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F 11510351 WKFHPKMAPLHXCI-UHFFFAOYSA-N 345.267 4.237 0 40 EIAB Cc1ccc2c(-c3csc(NC(=O)[C@@]4(C)CCCO4)n3)c[nH]c2c1 12193703 MSIKUNFSTCZJLN-GOSISDBHSA-N 341.436 4.107 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ccsc2)n1 12885998 YPPWPWSVZIAUSL-CQSZACIVSA-N 326.446 4.289 0 40 EIAB C[C@@H](CCc1ccco1)NC(=O)Cc1c(Cl)cccc1Cl 12904076 AKXALXTXUIJHAG-NSHDSACASA-N 326.223 4.266 0 40 EIAB CCCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(F)ccc21 13283956 XTLDLMYJSDMTLV-MGXKBMBFSA-N 346.452 4.454 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccs1 14069326 MJPDRZGJELQGTC-GFCCVEGCSA-N 325.437 4.042 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2C)on1 19237205 TXCVIJJNRDYMTD-SFHVURJKSA-N 336.439 4.409 0 40 EIAB COc1cccc(CN2CC[C@@H](c3cc4ccccc4cn3)C2)c1OC 19567619 ZCXWIICLUNQWJR-GOSISDBHSA-N 348.446 4.242 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(C)cc1 20457812 IVPVFBBQELRYIM-QGZVFWFLSA-N 331.843 4.464 0 40 EIAB Cc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(C)c1 20673286 ARLAFEVUXKSHHU-UHFFFAOYSA-N 343.473 4.497 0 40 EIAB Cc1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)cc1 21783151 YCOGHZFFLXHTCD-UHFFFAOYSA-N 349.478 4.410 0 40 EIAB Brc1ccccc1CSc1nnc(-c2cccnc2)o1 22823970 VNDWFFYASTVGCB-UHFFFAOYSA-N 348.225 4.186 0 40 EIAB Fc1ccc(-c2noc(CN3CCC[C@H]3Cc3ccccc3)n2)cc1 25358827 IPWSEECHASZGCW-SFHVURJKSA-N 337.398 4.083 0 40 EIAB O=C(c1ccccc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl 26893426 QIIQXSOGQOERHH-UHFFFAOYSA-N 342.609 4.226 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c3c(cccc13)CC2 27246696 JGRMYHTYJIZYSS-VZUCSPMQSA-N 343.382 4.319 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)o1 31871936 ZCFWMONQRUWERG-LBPRGKRZSA-N 338.432 4.232 0 40 EIAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12 31903870 XWMFYGOLOJKMSD-LRDDRELGSA-N 337.872 4.350 0 40 EIAB Fc1ccc(Cl)cc1-c1nnc2sc(-c3cccs3)nn12 32090431 GKUXZJAKFPTVDJ-UHFFFAOYSA-N 336.804 4.374 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)c1csc(-c2ccccc2)n1 32740795 JVDLEJWSJGCJIR-OAHLLOKOSA-N 336.416 4.064 0 40 EIAB Cc1cccc(-c2nn3c(-n4nc(C)cc4C)cc(C)nc3c2C)c1 40216771 AQGKRAKBYZMVBU-UHFFFAOYSA-N 331.423 4.124 0 40 EIAB C[C@H](NCc1cnc(N2CCCC2)nc1)c1cccc2ccccc12 48681903 SOOINOOFOWWROC-INIZCTEOSA-N 332.451 4.081 0 40 EIAB Cc1ccc2c(CN(C)Cc3cccc(F)c3)cc(=O)oc2c1C 58167021 BSRUSHMDPJZPSX-UHFFFAOYSA-N 325.383 4.181 0 40 EIAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C/C=C/Cl)CC2 58470017 WQYVZGUFTQCEPQ-UKTKYZJWSA-N 349.883 4.465 0 40 EIAB C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C(F)(F)F)C1 65566254 IPBPUCPVWHBYGT-ZJUUUORDSA-N 331.363 4.133 0 40 EIAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CC[C@H](C)C2)cc1 65585265 WAUPCKCDXATISF-ZDUSSCGKSA-N 327.428 4.205 0 40 EIAB Cc1cc(N2CCc3ccccc3C2)ncc1[C@H](N)c1ccccc1 72223899 WXPOSGOYNXQWKH-JOCHJYFZSA-N 329.447 4.001 0 40 EIAB O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)Nc1cccc(Cl)c1 72311230 HRPIXCWFABTTNW-UHFFFAOYSA-N 344.777 4.191 0 40 EIAB CO[C@H]1CCC[C@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 72346627 VNBQJFAKIYBISH-XYJFISCASA-N 343.467 4.144 0 40 EIAB CCc1nc(C)sc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 72405847 XQLYGSUFSRQNJG-UHFFFAOYSA-N 347.871 4.121 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N(CCc1cccs1)C1CC1 75154800 RELBTGWQTPUMGX-UHFFFAOYSA-N 338.432 4.250 0 40 EIAB CCCCCOc1ccc(C(=O)Nc2ccccc2[S@@](C)=O)cc1 76059089 VHZGJMCJUMKWMG-DEOSSOPVSA-N 345.464 4.245 0 40 EIAB CC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccccc3)CC2)C1 79034226 PGZROCDJHYQOFI-UHFFFAOYSA-N 344.499 4.300 0 40 EIAB COc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 88211160 KBODODBFPRANAD-UHFFFAOYSA-N 329.302 4.486 0 40 EIAB c1cc2c(cc1[C@H](NCc1csc(C3CC3)n1)C1CC1)OCCO2 95396763 XDQQYSVFBZKDJR-GOSISDBHSA-N 342.464 4.033 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)Cc1c(C)noc1C 95399539 AVHBOEAZGDPXAT-CYBMUJFWSA-N 345.443 4.140 0 40 EIAB Cc1cc([C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 95421258 TUGFWRNVJDCNSB-UONOGXRCSA-N 328.412 4.265 0 40 EIAB CC(C)n1cc([C@H](C)NC[C@@H]2CCCN(Cc3cccs3)C2)cn1 95421352 OQAGHVNAUXWCNE-IRXDYDNUSA-N 346.544 4.088 0 40 EIAB CSc1ccccc1C(=O)NCC[C@H](O)c1cc2ccccc2o1 96097231 UMHOAVMTZJKNPM-HNNXBMFYSA-N 341.432 4.008 0 40 EIAB Fc1ccc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)cc1 96345311 WZXLLIQOJSNRLF-UHFFFAOYSA-N 344.349 4.267 0 40 EIAB O=C(Nc1cccc(OCc2cccnc2)c1)N1C[C@H]2CC=CC[C@@H]2C1 96434140 XIUCZAZMABKOOI-QZTJIDSGSA-N 349.434 4.091 0 40 EIAB Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)c(C)c1 96725062 YPBLTLHIODAHLU-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(F)c1 96759112 PCQCRIVEWTWQCQ-MDWZMJQESA-N 326.396 4.158 0 40 EIAB CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(Cl)c1)C2 100425711 FFMOWDZIMRDEOT-QZTJIDSGSA-N 334.891 4.255 0 40 EIAB O=C(CSc1nc2ccccc2o1)N1[C@H]2CC[C@H]1c1ccccc12 101218305 FQFFHAHRHSCEOF-HOTGVXAUSA-N 336.416 4.338 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 222863593 OBLOIEJUFGRTNH-ZWKOTPCHSA-N 339.435 4.263 0 40 EIAB CC(C)CSc1nnc(NC(=O)Cc2cccc(Cl)c2)s1 223063139 LWWQZPJCPSQSKM-UHFFFAOYSA-N 341.889 4.121 0 40 EIAB O=C(CSCc1cccc(Cl)c1)NCCc1ccc(F)cc1 223404554 INJKFAACBMYEBI-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB COc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1F 225392962 ABUITMJEKCBSQF-UHFFFAOYSA-N 329.371 4.408 0 40 EIAB CCCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474656 PPDJEHNBVKGAHK-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 225487895 ZATGFHJIPIDWNN-MRXNPFEDSA-N 325.452 4.204 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1C 225652227 MGYFYBBZRSIKGH-SFHVURJKSA-N 325.452 4.426 0 40 EIAB COc1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1 225702526 CFRSGTLLGOMNPR-GOSISDBHSA-N 342.464 4.068 0 40 EIAB CN(Cc1ccccc1)C(=O)c1snnc1-c1ccc(Cl)cc1 225770879 YVGWWVVBPJRTJP-UHFFFAOYSA-N 343.839 4.131 0 40 EIAB O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCC[C@@H]1C1CCC1 252483657 FGPFADCNRCOFKH-CQSZACIVSA-N 347.365 4.079 0 40 EIAB CC(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257311164 UIFVLMMLOJYVMW-QGZVFWFLSA-N 330.403 4.114 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408587224 SKTXYVVDQDYFQV-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccccc2)S1 408799055 GSIALSXIFMFXNK-UHFFFAOYSA-N 329.832 4.411 0 40 EIAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1Cl 409069410 CUZTXFIWMINBIK-YRNVUSSQSA-N 346.235 4.448 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(Cl)c1C 409183083 PPPAXVSYYJCJHS-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)Nc1cccs1 575610997 SCJOERJFJMPPGL-HNNXBMFYSA-N 344.461 4.332 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 31506 RHRUCRMHVLFLEP-AWEZNQCLSA-N 326.465 4.256 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)C(=O)OC2 363738 MVHBHVJYFFPIQU-UHFFFAOYSA-N 337.162 4.308 0 40 EIAB C[C@]12C=C3C[C@@H](OC(=O)c4ccccc4)CC[C@@]3(O1)c1ccccc12 1869835 VWKAYLAMUFEYKZ-WTOYTKOKSA-N 332.399 4.477 0 40 EIAB Fc1cc(Br)cc(Br)c1Br 2512256 JPASTFJJLHVUFF-UHFFFAOYSA-N 332.792 4.113 0 40 EIAB CCOc1ccccc1NC(=O)/C=C/c1ccc(Br)o1 2650939 QDTIHZYCPWRYHS-CSKARUKUSA-N 336.185 4.093 0 40 EIAB CC[C@H]1CCCCN1C(=O)CSc1ccc(Br)cc1 3233416 SSPJSXJAWWELTC-ZDUSSCGKSA-N 342.302 4.332 0 40 EIAB FC(F)Oc1ccc(NC(=S)Nc2cccnc2Cl)cc1 3287737 GPMCTXRALSMMQP-UHFFFAOYSA-N 329.759 4.145 0 40 EIAB COc1ccccc1-c1csc(Nc2ccc3c(c2)OCCO3)n1 3414806 UYHFFZUSTPDVQG-UHFFFAOYSA-N 340.404 4.334 0 40 EIAB Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 4140740 JJGHVQNGNRZIMN-QGZVFWFLSA-N 325.371 4.498 0 40 EIAB Cc1ccccc1CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 4306967 NTLFFGQOXQQZTK-QFIPXVFZSA-N 344.414 4.115 0 40 EIAB Cn1c(C(=O)Nc2ccccc2Br)cc2sccc21 4971111 XSEHADHKENFUSR-UHFFFAOYSA-N 335.226 4.255 0 40 EIAB COc1cccc(C(=O)Nc2nc3c(SC)cccc3s2)c1 5299220 QJKLOECCLPUWGJ-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB CCc1cc(=O)oc2cc(OCc3ccc(OC)c(F)c3)ccc12 5465188 TYVQAADPBNHGHA-UHFFFAOYSA-N 328.339 4.082 0 40 EIAB Cc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2s1 5578236 ZQPQSELAGMNYPP-SNVBAGLBSA-N 330.384 4.150 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 6242383 HUWVOJWHGWWGBT-UHFFFAOYSA-N 334.828 4.326 0 40 EIAB O=C(Nc1ccccc1C(=O)OCc1cccc(F)c1)c1ccccc1 6344036 XZBCFULXCHYATI-UHFFFAOYSA-N 349.361 4.435 0 40 EIAB CC1=C(C)[C@@H](c2cn(C)c3ccccc23)N(Cc2ccc(C)o2)C1=O 6627911 VWXRXZFQGXCNAC-FQEVSTJZSA-N 334.419 4.500 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(OC(F)F)c1 6652219 YCLXBKAUHCPLOC-CQSZACIVSA-N 335.375 4.255 0 40 EIAB Cc1ccc2oc(C(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 6811219 KWKSUAZYSVMOLL-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1noc(C)c1COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 6945848 SYQGFGIIHZTSBM-LLVKDONJSA-N 338.407 4.255 0 40 EIAB CCOc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1OCC 6964444 RGMNTZHCOZWJJN-SFHVURJKSA-N 328.437 4.181 0 40 EIAB Cc1ccc(OCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 7582731 HXZLTJLYPAZERN-UHFFFAOYSA-N 328.481 4.484 0 40 EIAB CCOCc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC 7947234 HCTYTNJVVGPDQD-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccs2)no1 7957175 DHYUHHSMKSQDJA-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB COc1ccccc1CN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 8491566 LGZAQNRVFQMBKM-UHFFFAOYSA-N 337.419 4.050 0 40 EIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1c[nH]c2ccccc12 8855700 XWJVJJKYJBPEAT-UHFFFAOYSA-N 339.483 4.087 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C 8959249 NMSFMQZEZDLGBW-UHFFFAOYSA-N 346.471 4.223 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N(C)C)cc1 9064345 GFAXFEFROLEKIR-UHFFFAOYSA-N 339.222 4.320 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H]2CCCC[C@H]21 9501717 MQSBCVOVHXHCCW-OXTNJRTLSA-N 341.451 4.042 0 40 EIAB CCOc1ccccc1-c1noc(CN2c3ccccc3C[C@H]2C)n1 9681283 ZBNQJMHCUJTHLQ-CQSZACIVSA-N 335.407 4.087 0 40 EIAB COc1ccc2cc(CNC(=O)CCc3ccccc3F)ccc2c1 9940339 YUBHRTYXILECJR-UHFFFAOYSA-N 337.394 4.237 0 40 EIAB Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1ccc(F)cc1 12806686 XNSNKIXQYLIQOC-GOSISDBHSA-N 326.415 4.218 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CCCCC3)c1C 12827720 SBHCDDGRWIAVEF-UHFFFAOYSA-N 330.453 4.046 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 14137381 VGSKARPASAODCR-GFCCVEGCSA-N 340.448 4.495 0 40 EIAB CCSc1ccccc1C(=O)Nc1cc(NC(C)=O)ccc1OC 14229824 SMALHJYYMISWIF-UHFFFAOYSA-N 344.436 4.018 0 40 EIAB Cc1ccc(-c2noc(C[C@@](O)(c3ccccc3)C(F)(F)F)n2)cc1 14241860 YEWPBMCHBKRKLI-QGZVFWFLSA-N 348.324 4.038 0 40 EIAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 15670742 MNYVFTAFBNHXNR-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB Cc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)nc(C)n1 16283503 ITTSJNUKAAVVQU-UHFFFAOYSA-N 327.240 4.209 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC 20492287 DCHATYYBPZEFSG-AWEZNQCLSA-N 345.464 4.440 0 40 EIAB CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 21609580 RBKZINQFCAZHMJ-UHFFFAOYSA-N 336.338 4.126 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)COc2ccc3ccccc3c2)c1 22480130 PWMROUZLIAPNLK-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 22562878 VHRFNGYISIMYRJ-UHFFFAOYSA-N 333.334 4.174 0 40 EIAB Cc1nc(NCCN2CCCC2)c2c(-c3ccccc3)csc2n1 22815157 XCCWQYOCYJHDDM-UHFFFAOYSA-N 338.480 4.174 0 40 EIAB CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl 24484741 PVSOFFOZZUHZQK-PBHICJAKSA-N 349.858 4.195 0 40 EIAB Clc1cc(CSc2ncc3ccccn23)cc2c1OCCCO2 26560691 XHHGCXGZBHJINC-UHFFFAOYSA-N 346.839 4.441 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCCCC2)c1 27143427 DMDBBFSSKQNPTL-QGZVFWFLSA-N 338.451 4.079 0 40 EIAB Cc1ccc(Sc2n[nH]c(N)c2NC(=O)c2ccc(C)cc2)cc1 27562035 HUELOSAAVJJCJC-UHFFFAOYSA-N 338.436 4.012 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(C)cc1 30756506 LCYTVZVCAFXQJO-GOSISDBHSA-N 331.843 4.464 0 40 EIAB Cc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924717 VMPPLPSTLWQUPL-UHFFFAOYSA-N 336.366 4.251 0 40 EIAB COc1ccc(CC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 33459639 OQSHJSDNHLHBTI-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(C)C)cc2)N1 34685253 PYFUFWIRRAVVMB-VQTJNVASSA-N 348.446 4.068 0 40 EIAB biogenic O=C(O)c1c(Br)cc(C(F)(F)F)cc1C(F)(F)F 38237875 BMJMPAWOSBCAJT-UHFFFAOYSA-N 337.013 4.185 0 40 EIAB Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(CO)O2 39131427 LBBGJYNVSHBNJF-OAQYLSRUSA-N 326.436 4.267 0 40 EIAB O=C(NCC1(c2ccccc2)CCC1)C1(c2ccc(F)cc2)CCC1 40051665 VURAUUUBKOUNCQ-UHFFFAOYSA-N 337.438 4.486 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)c1cc(Cl)ccc1F 40090887 PCJLVKRIJDJRTQ-UHFFFAOYSA-N 332.806 4.327 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccncc2)ccc1C(C)C 40141040 VMEPJMSFBRYCRM-CVEARBPZSA-N 326.440 4.158 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(Br)c(N)c1 40296630 OFHIRYXHTIBBEA-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB Cc1cc(OCC2CCNCC2)c(Br)c(C)c1Cl 42774454 NFGLVBFWUFUGSQ-UHFFFAOYSA-N 332.669 4.098 0 40 EIAB CCCCc1nc(CN2CCC([C@@H](O)c3ccccc3)CC2)cs1 45914059 VDRWWFKXLAFCFI-FQEVSTJZSA-N 344.524 4.431 0 40 EIAB NC(=O)c1cccc(CSc2ncc(C(F)(F)F)cc2Cl)c1 47438346 ZIGJQZQPHVHQEP-UHFFFAOYSA-N 346.761 4.145 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](c1cccs1)C1CCCC1 48313952 DFEZRERKTNYUPY-QGZVFWFLSA-N 347.484 4.426 0 40 EIAB C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 52429253 FMPNFDSPHNUFOS-LVCBAPDRSA-N 345.527 4.419 0 40 EIAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 57369635 GSANSHMHDXCJMM-UZLBHIALSA-N 334.463 4.022 0 40 EIAB CC(C)[C@H](NC(=O)c1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 60953224 ZMYHYAQJFJLIOT-IBGZPJMESA-N 346.434 4.182 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 69666388 VECFXHWEDCYRBQ-CVEARBPZSA-N 331.847 4.476 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1csc(C2CC2)n1 75611545 WRTIAFXVNRULSJ-OAHLLOKOSA-N 330.501 4.139 0 40 EIAB Cn1ccnc1[C@H](O)c1ccc(NCc2csc3ccccc23)cc1 89761350 BXCCMYFNQIIMCX-LJQANCHMSA-N 349.459 4.329 0 40 EIAB CCOC(=O)Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1 95929215 PPNDDNIRBQPQRF-UHFFFAOYSA-N 331.224 4.299 0 40 EIAB C[C@H](C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1)C1CCOCC1 95975096 NBCSYOXXVPFDFF-KKUMJFAQSA-N 337.891 4.353 0 40 EIAB Fc1cccc(CN2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1 96073454 ARIKQSHOUPLRAL-TZIWHRDSSA-N 325.427 4.364 0 40 EIAB c1ccc(C[C@H]2CN(Cc3nccs3)CC[C@@H]2OCC2CC2)cc1 96110592 JBVKXXFZDUCBCV-OALUTQOASA-N 342.508 4.003 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1c(F)cccc1OC 96440876 MZSHWWSLFRYNJG-CJNGLKHVSA-N 345.418 4.083 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 113955876 WTELIWMTFFEXOH-AWEZNQCLSA-N 329.893 4.145 0 40 EIAB CN(C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926858 KIVXGCJMIWJWBX-JASYKLOUSA-N 345.527 4.421 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)C1 216159769 JWXQADRPFBUSRO-ZWKOTPCHSA-N 336.479 4.410 0 40 EIAB O=C(O)CCc1ccc(-c2ccc(Br)cc2Cl)o1 216923366 JDLQLKDDNGXIME-UHFFFAOYSA-N 329.577 4.380 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1C 218984287 KUKFBHSWKYPKLE-UHFFFAOYSA-N 341.407 4.211 0 40 EIAB Cc1ccc(N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 219863217 HNTMDZNXZUVIKZ-QFIPXVFZSA-N 348.490 4.405 0 40 EIAB COc1ccc([C@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1 222547551 GKOGTZXPAJJIHA-OAHLLOKOSA-N 336.222 4.226 0 40 EIAB CC(C)CSc1nnc(NC(=O)CSc2ccccc2)s1 222601389 ZXTSJEBWMUSYGN-UHFFFAOYSA-N 339.511 4.017 0 40 EIAB COc1cccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 223445638 HQHGFNNQCGUHQQ-UHFFFAOYSA-N 347.414 4.171 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223649908 ONPLAYGMVQTNGI-UHFFFAOYSA-N 341.451 4.192 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224391141 CITCLATYJXUQBT-UHFFFAOYSA-N 325.452 4.030 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COC 224686792 GSHHBTGCFDDONX-UHFFFAOYSA-N 349.814 4.146 0 40 EIAB CCCc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2F)cc1 225194517 SZMFDYBXAFDUJB-UHFFFAOYSA-N 349.833 4.169 0 40 EIAB Cc1ccc(NC(=S)NCCCN2CCCCCC2)cc1Cl 225399355 IHMXBEBGVMDYSA-UHFFFAOYSA-N 339.936 4.201 0 40 EIAB CC1(C)C[C@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2O1 225576310 AMAGHVOFUJERIB-HNNXBMFYSA-N 330.428 4.415 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NC1CCCCCC1 225795536 JVONBFTZPAMNQF-UHFFFAOYSA-N 327.403 4.044 0 40 EIAB CC1(NC(=S)Nc2cccc(Br)c2)CCCCC1 225845986 XMDYWRLYFCLKEE-UHFFFAOYSA-N 327.291 4.458 0 40 EIAB CCCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCC)c(C)c1 225908495 KPYBDMBZERNJOG-IBGZPJMESA-N 336.476 4.493 0 40 EIAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1Cl 226255379 DSKAROUYOBTGQP-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 255930490 AGWVDLZNKPAKKX-CYBMUJFWSA-N 331.868 4.406 0 40 EIAB O=C(c1c2c(nc3ccccc13)CCC2)N1CC=C(c2ccccc2)C1 501556219 RIIBATWCUBEERJ-UHFFFAOYSA-N 340.426 4.263 0 40 EIAB O=C(Nc1nc(C2CCNCC2)cs1)c1cccc2ccccc12 564074778 WYKRGLRTBKLQLX-UHFFFAOYSA-N 337.448 4.016 0 40 EIAB Clc1ccc(OCCCOc2ccc(-c3nnco3)cc2)cc1 621228056 MLVFCIZJMPZCPI-UHFFFAOYSA-N 330.771 4.238 0 40 EIAB COc1cccc(C(C)(C)CNC(=O)c2ccc3scnc3c2)c1 1127359967 SWOFNTYWWHEJSQ-UHFFFAOYSA-N 340.448 4.013 0 40 EIAB Cc1ccccc1NC(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1775968878 OITADEWZJOLMMB-HNNXBMFYSA-N 342.420 4.172 0 40 EIAB Cc1ccc(CSCC(=O)NCCc2ccc(Cl)cc2)cc1 262599 IYFXCUZCFQOTOA-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(Cl)c1 264082 NJGKRUPEQPQQKG-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 342585 OADDHNXPPJJDIZ-UHFFFAOYSA-N 331.169 4.216 0 40 EIAB Cc1ccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)cc1 365509 MUWGAMVSZRBLHY-UHFFFAOYSA-N 344.842 4.287 0 40 EIAB Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 387155 QSIPEMCAXJKEHH-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccccc1Cl 485818 KJBOBXYMSKBVHS-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB biogenic CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 1801587 GTRQJXRXWJVEKC-AWNIVKPZSA-N 341.382 4.435 0 40 EIAB CCSc1nnc(-c2ccccc2F)n1CCc1ccccc1 2648824 ZBJGRFQWSBMJNF-UHFFFAOYSA-N 327.428 4.439 0 40 EIAB COc1ccc(-c2nsc(SCC(=O)c3ccccc3)n2)cc1 3007400 DEONGRJYPBOFAG-UHFFFAOYSA-N 342.445 4.189 0 40 EIAB Cc1ccc(C(=O)NC2CCCCCC2)cc1NC(=O)c1ccco1 3435725 GGHVEYYBAUYBIC-UHFFFAOYSA-N 340.423 4.293 0 40 EIAB COc1cc(NC(=O)CCCc2c[nH]c3ccccc23)cc(OC)c1 3451491 TWOKGEBHKDJCKV-UHFFFAOYSA-N 338.407 4.147 0 40 EIAB COC1=CC2=CC[C@@H]3[C@H]4CC[C@]5(CO5)[C@@]4(C)CC(=O)[C@H]3[C@@]2(C)CC1 4024204 AKWAWNXESMOSLR-HDHGSYJOSA-N 328.452 4.037 0 40 EIAB biogenic COC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4029854 CEZKLEHYJURHTB-GNFVNJEZSA-N 349.515 4.115 0 40 EIAB biogenic CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CCCC2=C2CCC[C@@H]23)cc1 4491860 UROVDZPMWWQYQT-MUGJNUQGSA-N 335.447 4.265 0 40 EIAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 4814994 WBRYXGGTCDIRTB-OALUTQOASA-N 346.434 4.002 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)N1CCc2ccccc21 5672704 AERXZEGWYSTLJX-UHFFFAOYSA-N 329.399 4.322 0 40 EIAB O[C@@H](c1ccccc1)c1nc2ccccc2n1CCc1ccccc1 6753101 JNDKZRIYRQLDAK-NRFANRHFSA-N 328.415 4.361 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C(C)C 7361085 WKJOHOZSLMTERP-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccccc2Cl)ccc1OC 8286554 YURDRJHMORZGCD-PKNBQFBNSA-N 331.799 4.399 0 40 EIAB Cc1occc1-c1nnc(SCCOc2ccc(Cl)cc2)n1C 8490654 CWPQBVVWXLFDCE-UHFFFAOYSA-N 349.843 4.208 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 9107200 UNTRKYYOXDPOKE-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB CSc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1 10252318 YHJNFFCVJODAPU-UHFFFAOYSA-N 341.461 4.108 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275673 NTODGAWSKUAKGS-HNNXBMFYSA-N 331.481 4.332 0 40 EIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C(C)C)n1 11695174 UXYMYKBAGNZCIG-UHFFFAOYSA-N 342.226 4.097 0 40 EIAB CC1CCN(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 13648766 QCKFUVTVHNIUDL-DHZHZOJOSA-N 342.527 4.236 0 40 EIAB Cc1cnc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)s1 14197465 SKQVGUXSOIZEEL-UHFFFAOYSA-N 343.456 4.153 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3O)cs2)cc1 14247417 NEBBPIAATZGHRW-UHFFFAOYSA-N 338.432 4.314 0 40 EIAB Cc1cccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1C 15318658 MITRJXKZDQCSGE-UHFFFAOYSA-N 325.408 4.034 0 40 EIAB CCCN(CCC)c1ncnc2c1cnn2-c1cc(Cl)ccc1C 17271701 WBMSKNMZHRUNKQ-UHFFFAOYSA-N 343.862 4.404 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 20142139 IYZXWRNEBYOOKW-CYBMUJFWSA-N 327.380 4.123 0 40 EIAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4cccc(C)c4)c3C2)cc1 20632866 NRMUYDOBNVASSZ-QGZVFWFLSA-N 346.430 4.410 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 24613955 ILMXVOAMFQYBCD-UHFFFAOYSA-N 345.464 4.208 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccccc2Cl)c1 28996062 QKLVHVONKUBQKF-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1ccc(NC(=O)c2cccc3ncccc23)cc1OC(F)F 29200438 GNYSQFIJNBCRQU-UHFFFAOYSA-N 344.317 4.097 0 40 EIAB CSCc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1 29917337 ZHSUYBGESJDZBZ-JTQLQIEISA-N 347.465 4.086 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccc(C)cc1 30855435 GKFHVQACWSRLON-FQEVSTJZSA-N 325.452 4.428 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2O)c(C)c1 32739343 DBMRZFYPXMDNTO-UHFFFAOYSA-N 348.240 4.044 0 40 EIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCc1cccc(F)c1 32930680 NDSGQVIXCSAWGK-UHFFFAOYSA-N 340.398 4.054 0 40 EIAB Cn1c(CSc2nnc(-c3ccco3)o2)nc2cc(Cl)ccc21 40139012 BYLCMVJMCRIQCE-UHFFFAOYSA-N 346.799 4.162 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 44884896 ZCOQRSXHWXOAPQ-CYBMUJFWSA-N 348.240 4.014 0 40 EIAB Cc1cccn2cc(-c3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)nc12 53837720 KWWQMCLDWMXGJM-SFHVURJKSA-N 349.434 4.207 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4ccccc4s3)nc12 57352470 ZMLKXFCOSSUQKW-UHFFFAOYSA-N 328.422 4.240 0 40 EIAB COc1cc(N)c2nc(Nc3nc4cc(C)cc(C)c4o3)sc2c1 57352583 FPQPQPUBAYOTQF-UHFFFAOYSA-N 340.408 4.389 0 40 EIAB O=[S@](Cc1ccc(Cl)cc1)Cc1cc(-c2ccccc2)on1 57991578 KEFMNRASUGSEHF-QFIPXVFZSA-N 331.824 4.444 0 40 EIAB Cc1ccc(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)sc32)cn1 58157728 XOWHLNTWXJSSKD-INIZCTEOSA-N 349.459 4.321 0 40 EIAB Cc1ccc(SCCNC(=O)CCc2ccccc2Cl)cc1 61046579 AYCFIIWKVXKEQT-UHFFFAOYSA-N 333.884 4.490 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 65530482 QZJMEIVRROYAGG-PWSUYJOCSA-N 343.452 4.224 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1cccnc1Oc1cccnc1 65606921 SKPNWRVEWBUWNW-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB Cc1cc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c(C)s1 69418659 IIFKSEMKTWIFTG-UHFFFAOYSA-N 334.466 4.391 0 40 EIAB Cc1noc(C)c1CC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 71920746 QBKKTIKRRHYEOJ-OAHLLOKOSA-N 326.440 4.224 0 40 EIAB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)CCc3ccco3)n2)c1 72288556 LWUIFYITKSUZIP-IBGZPJMESA-N 349.434 4.274 0 40 EIAB Fc1ccc(CN2C[C@H]3C[C@H](c4cccs4)N4CCC[C@@]34C2)cc1 72342200 PACOWZUQYBZXCZ-YVWKXTFCSA-N 342.483 4.299 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)NCc3ncccc3C)cc2)nc1 79101754 NPZGQOXGJKGPGI-UHFFFAOYSA-N 348.406 4.207 0 40 EIAB O=C(Nc1ncccc1OC(F)F)c1ccc(-c2cscn2)cc1 87273045 GHVXNSSVXJQANV-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB Fc1ccc(OCCN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89866581 CKLNAGGAEXKGEG-UHFFFAOYSA-N 336.410 4.475 0 40 EIAB C[C@H]1N(C(=O)Nc2ccccc2N2CCCCCC2)CCOC1(C)C 89919928 CUKZZISYVZCDDV-MRXNPFEDSA-N 345.487 4.098 0 40 EIAB CC(C)(CCCO)CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 95459348 ANWMCLBINZIWDE-UHFFFAOYSA-N 347.405 4.160 0 40 EIAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1cccs1)SCC(O)=N2 95475264 OGFJKYCTFGJZLN-AWEZNQCLSA-N 349.481 4.167 0 40 EIAB CC(=O)COc1ccc2occ(-c3ccc4c(c3)OCCCO4)c2c1 96116574 YGJLPRBEKLIWRK-UHFFFAOYSA-N 338.359 4.229 0 40 EIAB biogenic O=C(NCc1cccc(Oc2ccccn2)c1)c1ccccc1Cl 96382577 SHMBSARLCJCAMR-UHFFFAOYSA-N 338.794 4.457 0 40 EIAB CS(=O)(=O)Cc1ccccc1NCc1cc(Cl)ccc1Cl 96427474 ALUBRFJMSXCYAL-UHFFFAOYSA-N 344.263 4.150 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 113953984 NAAOLZJZDLGGDQ-MRXNPFEDSA-N 327.424 4.417 0 40 EIAB Cc1csc([C@@H](C)CNC(=O)c2ccc(F)cc2C(F)(F)F)n1 186031850 AXGCUTHIIFEYIP-QMMMGPOBSA-N 346.349 4.143 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccc(Cl)c2)S1 222559250 GLFJGAVLFDYZGY-LYRGGWFBSA-N 329.856 4.324 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(C(C)C)c3)N21 222672587 PUBOYEXAIIQHAV-RYQLBKOJSA-N 340.496 4.443 0 40 EIAB CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(OC)c(C)c1 223189706 PPHGXTAHNWVTKM-NUCSPZLJSA-N 327.399 4.423 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCOc2ccc(C)c(Cl)c2)c1 224162623 IAVHWFWCZYIYCR-UHFFFAOYSA-N 331.843 4.003 0 40 EIAB CCCC[C@H](CC)CNS(=O)(=O)Cc1c(F)cccc1Cl 224181017 HIGIBWARIRTJNW-LBPRGKRZSA-N 335.872 4.115 0 40 EIAB CCCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224189126 QCXFXTVIKUMBCR-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COCC(C)C 224446976 UAQWSWBSRLACKX-UHFFFAOYSA-N 327.424 4.429 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCC 224694028 LEMMNLGATKCRCM-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CC(C)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 618460826 UJIYYJNCFMWILJ-LEWJYISDSA-N 337.463 4.048 0 40 EIAB Clc1cnccc1OCC1CCN(c2ccncc2Cl)CC1 1889108914 AXTXKHJBWXOXMO-UHFFFAOYSA-N 338.238 4.079 0 40 EIAB CCOC(=O)c1[nH]c(C)c(CN(C(=O)CC)c2ccc(C)cc2)c1C 286217 IUAAYHXVPBBPPH-UHFFFAOYSA-N 342.439 4.060 0 40 EIAB COc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 298338 URDHEACKEQPMNK-UHFFFAOYSA-N 346.382 4.402 0 40 EIAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)o1 411605 YMCFHTXXCQRNHQ-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB O=C(O)Cc1nc(-c2cccnc2)sc1-c1ccc(Cl)cc1 2215019 OSXJJHORNWFWKS-UHFFFAOYSA-N 330.796 4.153 0 40 EIAB O=c1[nH]c2ccccc2n1CCCSCc1cccc(Cl)c1 2617530 XOWWLTHWAVZXBO-UHFFFAOYSA-N 332.856 4.307 0 40 EIAB CCc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 2629751 FBNHUGGZLHNFQK-UHFFFAOYSA-N 330.236 4.357 0 40 EIAB Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1C 2706931 PZBGBUQEXHEFIS-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1ccc(F)cc1F 3360988 WFUZTGBKXXVINA-UHFFFAOYSA-N 335.350 4.161 0 40 EIAB CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 3429036 QZVSLQMICJOBNL-CQSZACIVSA-N 345.826 4.268 0 40 EIAB CCOc1ccc(-c2nc(COC(=O)c3ccc(C)o3)cs2)cc1 3446689 ROYRGQVADFMSFF-UHFFFAOYSA-N 343.404 4.467 0 40 EIAB COc1cccc(-c2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)c1 3534328 CAAIYMUKQZGARG-UHFFFAOYSA-N 339.416 4.421 0 40 EIAB CCn1cc(SCC(=O)NCCc2ccccc2)c2ccccc21 4060555 QHWQPQDBBLTXHQ-UHFFFAOYSA-N 338.476 4.112 0 40 EIAB O=C(c1ccccc1)N1CCN=C1SCc1c(F)cccc1Cl 4120141 VGZZNEMGBXHPIV-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc2[nH]c(C)cc2c1 4265979 KLEPWVJHEKHATM-UHFFFAOYSA-N 328.799 4.068 0 40 EIAB CN1CCC([C@@H](O)c2ccccc2Sc2ccccc2F)CC1 5525422 GRKVHVAIJHJDTA-LJQANCHMSA-N 331.456 4.352 0 40 EIAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1F 5584388 YJXWILQVKJHWAJ-UHFFFAOYSA-N 349.452 4.322 0 40 EIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccoc1C 6254735 IWLUVUPSPGHTAC-UHFFFAOYSA-N 341.388 4.355 0 40 EIAB CCCNC(=O)c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 6398303 VZIMDFQRSWWSED-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 6546558 NUSYEEWSKUZSJI-UHFFFAOYSA-N 345.468 4.140 0 40 EIAB COc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1Cl 6811247 AIXSALALBIEWLV-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB Cc1ccc(-c2noc(SCc3ccc(C(=O)O)cc3)n2)cc1 7605236 NNEVZPGKVRNKOR-UHFFFAOYSA-N 326.377 4.036 0 40 EIAB COc1cccc(CNC(=O)c2ccc(C3SCCS3)cc2)c1 7780361 JKKZOLSRQRSXHX-UHFFFAOYSA-N 345.489 4.104 0 40 EIAB Cc1nc(SCC(=O)c2ccc(O)cc2)c2c(C)c(C)sc2n1 7833089 ZEYCIFKZDPLTPI-UHFFFAOYSA-N 344.461 4.297 0 40 EIAB CCn1c(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc21 8131070 SICXNSGIJAQIBB-KKUMJFAQSA-N 345.512 4.326 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 8273165 LZUVQCPNAWPROY-LLVKDONJSA-N 329.450 4.205 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(CC)cc3)ccc21 9107067 CMXYCFCCSKIHDY-UHFFFAOYSA-N 336.435 4.191 0 40 EIAB CCc1[nH]c(C(=O)Nc2cccc3ccccc23)c(C)c1C(=O)OC 9453903 ZZYYBDCAJGBTKK-UHFFFAOYSA-N 336.391 4.078 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 9604982 MSZZZINJWNBUGR-UHFFFAOYSA-N 345.446 4.330 0 40 EIAB Cc1ccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c(O)c1 9952979 DEYQVVZQIVOCDR-UHFFFAOYSA-N 346.452 4.307 0 40 EIAB CCCNC(=O)CSc1nc2ccccc2n1C1CCCCC1 10398272 MMQHRYYCHWBQSK-UHFFFAOYSA-N 331.485 4.160 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 11738692 AYZSRAZIHADDCL-GOSISDBHSA-N 344.842 4.108 0 40 EIAB COc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 12538159 KVXAWFDJTSKOQZ-UHFFFAOYSA-N 341.436 4.083 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1F 12796380 LBXFZOCUXVMLQW-OLZOCXBDSA-N 335.806 4.432 0 40 EIAB S=c1scnn1CN1CCc2sccc2[C@@H]1c1ccccc1 12863753 CIJRNEOMLAVZDP-HNNXBMFYSA-N 345.518 4.341 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2C)n1 13623833 PUVQQAMEQPNYBX-UHFFFAOYSA-N 328.224 4.066 0 40 EIAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13671619 RRSLSZQBSGWMOP-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 13938182 ZEVLJOTVPMWQJK-OAHLLOKOSA-N 325.433 4.188 0 40 EIAB O=C(Nc1c[nH]c2ccccc12)c1cccc2nc(C(F)(F)F)[nH]c12 13995871 OQXUHIROZDJZAE-UHFFFAOYSA-N 344.296 4.315 0 40 EIAB CC(C)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 14356425 RTZFBRZCZKWXEP-ZHACJKMWSA-N 337.448 4.139 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nsnc3c2)cc1 15841270 YIWDSESQWMPRJN-UHFFFAOYSA-N 341.436 4.006 0 40 EIAB O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1nccs1 17198262 DFAXPQRGEOEDJF-LLVKDONJSA-N 331.249 4.229 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(F)ccc1C 20030049 RHPMKVVOVAHDJL-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 20041246 ZGCCHKBHTYPCLY-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSc2ccccc2)c(Cl)c1 20457343 DOGDLMIEORRRAY-UHFFFAOYSA-N 349.839 4.248 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1Cl 22389086 TVQOLMWTPIRGST-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3CN(C)C)cc2C1 24812750 CJWKOGGZWLRRRF-ZDUSSCGKSA-N 328.481 4.187 0 40 EIAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)c1 27984696 HOXZWMBADYAABF-UHFFFAOYSA-N 336.391 4.431 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)[C@@H]3Cc4ccccc4S3)c2)n1 31121431 IZHHKSZPXDBVPF-IBGZPJMESA-N 347.443 4.108 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccc(NC(N)=O)cc2)c2ccccc2n1 32901858 QYENPJUNNNJHPZ-UHFFFAOYSA-N 348.406 4.101 0 40 EIAB CCOC(=O)c1cccc(Oc2ncnc3c2oc2ccccc23)c1 33010863 MOTBOMIBEOMQDE-UHFFFAOYSA-N 334.331 4.345 0 40 EIAB CCCn1cc(-c2nc(-c3cccc(F)c3)no2)c(=O)c2ccccc21 38487797 DOZCCIJMFUIPHC-UHFFFAOYSA-N 349.365 4.268 0 40 EIAB O=C(Nc1nc2c(F)cc(F)cc2s1)Nc1c(F)cccc1F 38488581 TWCCJUQVTJESNN-UHFFFAOYSA-N 341.289 4.497 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 40038940 CZTYEOBHFDIJQX-SJORKVTESA-N 348.450 4.336 0 40 EIAB Cc1ccccc1NC(=O)N(C)Cc1ccccc1Br 40095281 WPRFCZKQPDFZIV-UHFFFAOYSA-N 333.229 4.421 0 40 EIAB CC(C)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 40160085 VBEJXQHYSKWPAL-ZDUSSCGKSA-N 344.842 4.220 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 41690392 WQVMLLJZZDUUPC-BIZBXSGISA-N 339.564 4.383 0 40 EIAB COc1ccc(C(F)(F)F)cc1NC(=O)Cn1ccc2ccccc21 42381378 DGYUWVZZIDDPBO-UHFFFAOYSA-N 348.324 4.307 0 40 EIAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 45927492 SOXFKDMZIAYACE-HOCLYGCPSA-N 343.496 4.348 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 48344867 RFLWFSGVPPZBEE-MZEUMTGBSA-N 333.391 4.066 0 40 EIAB COc1cccc(-c2cc(C(=O)Nc3cccc(SC)c3)n[nH]2)c1 51315609 GKHVBIHUOXJBCG-UHFFFAOYSA-N 339.420 4.060 0 40 EIAB CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 54528795 CXOQOGSVFMOXCF-ZDUSSCGKSA-N 345.399 4.063 0 40 EIAB CCN(CC)c1nc2sc(C(=O)Nc3ccccc3O)cc2s1 58356555 JKGLLCAPKDDHIM-UHFFFAOYSA-N 347.465 4.162 0 40 EIAB CSc1sc(NC(=O)CSCc2cccc(C)c2)nc1C 60241519 HUOXZKCGMMUBFH-UHFFFAOYSA-N 338.523 4.354 0 40 EIAB COc1ccc(C)cc1NCc1nc(-c2cccc(Cl)c2)no1 60992662 DCFOJAMDAHSWDI-UHFFFAOYSA-N 329.787 4.319 0 40 EIAB C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 64580989 AZRCHAMPPFDUKC-ZDUSSCGKSA-N 325.799 4.017 0 40 EIAB CCn1c([C@H]2CCCN2C(=O)C[C@H](C)C2CC2)nc2ccccc21 65592107 LZOVLYBHHPAYSE-KBXCAEBGSA-N 325.456 4.156 0 40 EIAB COc1cccc(NC(=O)N2CCC(Nc3ccccc3C)CC2)c1 69417068 JUZUTASTNRFQMN-UHFFFAOYSA-N 339.439 4.112 0 40 EIAB CC(C)c1cnc(-c2ncccc2F)nc1Nc1ccncc1F 71289193 QPFQCFMVQQTWIA-UHFFFAOYSA-N 327.338 4.079 0 40 EIAB c1ccc2c(N3CCCSCC3)nc(-c3ccsc3)nc2c1 71811086 GMXWUPHGNKMNEC-UHFFFAOYSA-N 327.478 4.302 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(F)c(F)c2F)C1 72405429 ONUVNTIOFCLWGF-LLVKDONJSA-N 347.296 4.065 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccc1Cl 78890572 ZEDIJIINKPYJJO-VRHCTWJESA-N 347.890 4.119 0 40 EIAB COC[C@](C)(NC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1 79025519 FQYHXWBXLLTGIL-FQEVSTJZSA-N 342.439 4.157 0 40 EIAB CCN(C)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 84760787 ILCGLJHYCIFFPH-UHFFFAOYSA-N 333.844 4.141 0 40 EIAB COC(=O)NCc1ccc(NCc2csc(C3CCCC3)n2)cc1 86208925 SUXCJHYKEZVBHO-UHFFFAOYSA-N 345.468 4.269 0 40 EIAB Cc1nc(CNC(=O)Nc2cccc3ccccc23)c2ccccn12 89708978 QFDVFMGUAQEUKN-UHFFFAOYSA-N 330.391 4.118 0 40 EIAB Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2nc1C 95361277 DRIKJSXEWPATKW-FQEVSTJZSA-N 346.434 4.009 0 40 EIAB biogenic CC(=O)Nc1cccc([C@H](C)NCc2ccccc2OCC2CC2)c1 95422963 ZQAHOVCCPMXRTF-HNNXBMFYSA-N 338.451 4.285 0 40 EIAB Fc1cccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1 96214666 WLWFXOQDCOZIMN-JOCHJYFZSA-N 338.470 4.456 0 40 EIAB CC(=O)Nc1cccc(CSCc2nnc(-c3ccccc3)o2)c1 96433432 USQIWXMCKBSXIK-UHFFFAOYSA-N 339.420 4.128 0 40 EIAB Cc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 96446168 IAAPWCDVNCBMGX-RKNYENMMSA-N 348.443 4.096 0 40 EIAB O=C(OCCOc1ccccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 97496413 WPHDVBLOLCBWEU-RYUDHWBXSA-N 334.309 4.116 0 40 EIAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NCc4ccco4)n3)cc21 101088990 DOMRIKOOTLUDAE-JTQLQIEISA-N 325.393 4.071 0 40 EIAB CN1C[C@H](C(=O)c2ccc(F)cc2)[C@H](c2c(F)cccc2Cl)C1 106341658 OAJSJXJVFWZAFZ-KGLIPLIRSA-N 335.781 4.146 0 40 EIAB C[C@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1nnc(-c2cccs2)o1 108179840 DKSYQFUUULDZSV-ZDEQEGDKSA-N 332.425 4.229 0 40 EIAB CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 113955566 SKLOAEGRMPATRC-UHFFFAOYSA-N 349.452 4.018 0 40 EIAB CC(C)c1ccc(NC(=O)N(CCO)CC(F)F)c(C(C)C)c1 193935358 KOJMFYJVAVVKQV-UHFFFAOYSA-N 328.403 4.025 0 40 EIAB COc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1Cl 216959176 CVKVPFPMJOLYNH-UHFFFAOYSA-N 327.767 4.113 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)CCc1ccccc1F 223832652 GDHUHXOZKRRSDK-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB Cc1ccc(OCCNC(=O)CCSc2ccccc2)cc1Cl 224120032 ZOWHTEVEPDEGQB-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB CC1(C)C[C@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2O1 224147729 HDUFECQUZMFPFY-KRWDZBQOSA-N 327.399 4.177 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COC 224691115 BZKUUYDWKQOGSN-CYBMUJFWSA-N 347.842 4.376 0 40 EIAB CC(C)Oc1c(I)cc(C(C)(C)C)cc1C=O 225276556 RSICRWNATCEKBD-UHFFFAOYSA-N 346.208 4.188 0 40 EIAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(N)c1 226347420 AWTKCXWAPXSDRJ-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)CC1 257240514 HTVBYTOGEZNCMF-INIZCTEOSA-N 349.434 4.016 0 40 EIAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(CC2CC2)C1 257242527 ICYUFKKSBBULQQ-HXUWFJFHSA-N 328.431 4.168 0 40 EIAB Cc1cc(CC[C@@H]2CCCN2C(=O)CCc2cccs2)ccn1 257258790 KVONVYVKUYIVRI-KRWDZBQOSA-N 328.481 4.008 0 40 EIAB CCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccccc1 408564447 YHAKXIWUZPURAT-HNENSFHCSA-N 326.421 4.133 0 40 EIAB CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2cc(C)ccc21 408713305 RYGNREICNQOOES-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3ccccc3)C2=C1O 1547212371 ZOSMXMDQZUNEAJ-GOSISDBHSA-N 343.386 4.018 0 40 EIAB O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H]1CCC12CCCC2 1616035388 WVCAPYHHXAWIBE-CYBMUJFWSA-N 328.334 4.271 0 40 EIAB Cc1ccc(Cn2c(=S)[nH]c3sc4ncccc4c3c2=O)cc1 1889109342 QHKHOFFCMDOWOC-UHFFFAOYSA-N 339.445 4.026 0 40 EIAB CC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 113735 PBYHWWMNGDJFLV-WJDWOHSUSA-N 344.208 4.264 0 40 EIAB Cc1cc(C)nc(SCc2nc3ccc(Cl)cn3c2Cl)n1 151944 CNRODGPUBFZPMI-UHFFFAOYSA-N 339.251 4.340 0 40 EIAB O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccccc1 306162 PGUYKLLTACSXML-UHFFFAOYSA-N 325.433 4.067 0 40 EIAB Fc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1 424465 MZBVGWQPLUSYFQ-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccccc1 1660121 NWHZCAHINMSRQA-ZXTYOHMPSA-N 327.383 4.135 0 40 EIAB Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccccc1 3293630 XLFIGCXFBVKEJE-UHFFFAOYSA-N 349.868 4.172 0 40 EIAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1 4033024 NOGGAOJEBBYJGG-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(C)cc3)o2)cc1OC 4189567 PSEAPKNKLYYABP-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB Fc1ccc(NC(=S)SCc2ccc3c(c2)OCO3)cc1F 6513387 WLWHSXMMMWAQIS-UHFFFAOYSA-N 339.388 4.324 0 40 EIAB C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(Cl)cc1Cl 6795684 YKVKJYGGCONHPB-UWVGGRQHSA-N 332.300 4.458 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 6919805 DLRNJMLSPPIQEQ-GFCCVEGCSA-N 338.432 4.490 0 40 EIAB O=C(Cc1noc2ccccc12)NCCc1ccc(Cl)cc1Cl 8135007 NRFQIAYHSIJSLU-UHFFFAOYSA-N 349.217 4.036 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cccc(CN2CCCC2=O)c1 8139929 LKVXYKZNAFWUJY-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 8704123 HOPMQNBAEDAPKF-OAHLLOKOSA-N 334.419 4.264 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 8776510 XNMPSWPIZVCSFW-UHFFFAOYSA-N 345.399 4.044 0 40 EIAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1cccc(Cl)c1Cl 8986848 XHEYPBCCEGVDPS-NSHDSACASA-N 338.190 4.190 0 40 EIAB O=C(CCC(=O)Nc1ccc(Cl)cc1)NCCC1=CCCCC1 9553566 BKAYHBWHPWJBDA-UHFFFAOYSA-N 334.847 4.065 0 40 EIAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc12 11476824 TUBJHHIQJPKEIH-CYBMUJFWSA-N 348.431 4.112 0 40 EIAB Cc1cccc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)c1 12178416 AJBCMOQQRYUGAF-UHFFFAOYSA-N 326.377 4.036 0 40 EIAB CCN(CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 12421493 BFGLXNCDLZFOBA-KRWDZBQOSA-N 335.532 4.363 0 40 EIAB C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccncc1 12557637 DYTIWCXKBIZKHC-INIZCTEOSA-N 348.402 4.130 0 40 EIAB Cc1cccc(NC(=O)CN(C)Cc2coc(-c3ccccc3)n2)c1C 12978737 NRJHJZGHVZKFQZ-UHFFFAOYSA-N 349.434 4.029 0 40 EIAB Cc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1Cl 13633726 WPLVEMYITHSQMW-UHFFFAOYSA-N 349.615 4.110 0 40 EIAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCO2 14241019 WDLMQNDLMOJFFU-LBPRGKRZSA-N 341.432 4.023 0 40 EIAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 16971934 CHGABYVNUNQKCL-DHDCSXOGSA-N 345.807 4.243 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1Cl 17064563 ZFUCGDOMEZYCDT-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(F)cc1 17288222 KFERUGMJZNTZQO-UHFFFAOYSA-N 347.397 4.421 0 40 EIAB Brc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 18187887 XWINWBKFULKESY-UHFFFAOYSA-N 331.169 4.078 0 40 EIAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1F 19736787 CCXFRCAJSLDLNO-STQMWFEESA-N 330.403 4.327 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(F)cc1 20050463 IIZRCCYWHGXARO-GOSISDBHSA-N 349.833 4.386 0 40 EIAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20486811 LYFWOHADGQOBMR-INIZCTEOSA-N 343.492 4.423 0 40 EIAB CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 20520846 IMAJNQZRHSTNST-UHFFFAOYSA-N 333.229 4.407 0 40 EIAB COc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 22511710 PJBUDIZPGCFMIX-MRXNPFEDSA-N 338.451 4.179 0 40 EIAB Cc1cccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)c1 24032255 BWQHFJJPJXWNRZ-UHFFFAOYSA-N 348.378 4.271 0 40 EIAB CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 29547098 MQXGJLLLXBMBTP-MRXNPFEDSA-N 332.444 4.148 0 40 EIAB Clc1snnc1CSc1nnc(Nc2ccccc2)s1 29888739 ABYIXIPFXQMYKW-UHFFFAOYSA-N 341.874 4.079 0 40 EIAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc4ccccc4c3)cc12 30397763 KRERMKGPHUCECX-LBPRGKRZSA-N 331.375 4.175 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC(C)C)cc1 30758768 CQNRIMQDVFRLEE-LJQANCHMSA-N 343.423 4.279 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1csc(Cc2ccccc2)n1 33145022 YRSHTQDVLWFVTO-CQSZACIVSA-N 334.444 4.325 0 40 EIAB CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 37151484 ATRVTFWJOWSDRT-NRFANRHFSA-N 347.458 4.284 0 40 EIAB COc1ccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 44900093 QFHSBGKZOPXXOL-LJQANCHMSA-N 327.424 4.221 0 40 EIAB c1ccc2c(-c3nn4c(-c5ccncc5)nnc4s3)cccc2c1 45221547 DQDKKVJPRGJDBM-UHFFFAOYSA-N 329.388 4.068 0 40 EIAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(C)c(C)c1 45890612 NXTRXIHULRXXGJ-UHFFFAOYSA-N 341.480 4.082 0 40 EIAB COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 48373871 GTDLGLUBDQCVGG-SECBINFHSA-N 338.816 4.071 0 40 EIAB Cc1nn(C)c2c1[C@H](c1ccc(OCC(C)C)cc1)SCC(O)=N2 49544743 OXRLGTUHARHJBR-KRWDZBQOSA-N 345.468 4.188 0 40 EIAB O=C(Nc1cccc(NC(=O)c2ccccc2)c1)OCC(F)(F)F 58331688 VLWOUZWOMVGGDE-UHFFFAOYSA-N 338.285 4.050 0 40 EIAB Cc1ncsc1CCOC(=O)c1c(-n2cccc2)sc(C)c1C 60742317 WUIJMAUOCMJILN-UHFFFAOYSA-N 346.477 4.320 0 40 EIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4C)C3)n2)c1 72369884 OEKAIRUTCSRKQK-GOSISDBHSA-N 349.434 4.043 0 40 EIAB O=C(NCc1cccs1)N(C1CC1)[C@H]1CCCc2ccccc21 79938857 KADROYURFONSEC-SFHVURJKSA-N 326.465 4.500 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCC(CSCc2ccco2)CC1 85472414 QEUKOXVPUBQBMW-CMDGGOBGSA-N 341.476 4.465 0 40 EIAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccco2)c1 89469820 AEZBJJUUNWVLJM-IBGZPJMESA-N 346.386 4.280 0 40 EIAB O=C(C1=Cc2ccccc2OC1)N(Cc1ccco1)c1cccc(F)c1 95349427 MOPIZHMDAIQWPX-UHFFFAOYSA-N 349.361 4.428 0 40 EIAB C[C@H](NCc1cc(C(N)=O)cs1)c1cc(F)c(Cl)cc1Cl 95427492 GCFKDCMWTOFIJR-ZETCQYMHSA-N 347.242 4.144 0 40 EIAB Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1 96231272 PUXZATVLAXWWRK-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB Cc1ccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 100844360 QZOKJKPRECUALR-QZQOTICOSA-N 332.428 4.443 0 40 EIAB S=C(NCCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 102226750 LMEBSJCOZBJHBT-ITDIGPHOSA-N 343.323 4.189 0 40 EIAB CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H](O2)[C@@H]1C/C=C/CCCC(=O)O 103673838 TVXGQRHTUVWFOW-IVHNRCPMSA-N 336.472 4.089 0 40 EIAB Cc1ccn(-c2ccccc2CNC(=O)N2C[C@H](C)c3ccccc32)n1 155146332 QVENQTFRBDJQTH-HNNXBMFYSA-N 346.434 4.014 0 40 EIAB CCSc1ccccc1C(=O)N[C@@H](C)COc1ccc(OC)cc1 219646314 AQKUNBAFEPBTGO-AWEZNQCLSA-N 345.464 4.005 0 40 EIAB Cc1nc(S[C@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)nc2c1CCCC2 221942941 ICBMSLDVHUITMU-ACWOFJMJSA-N 330.497 4.150 0 40 EIAB Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)nc1 225661764 YYOXKEFQCWWBPG-OAHLLOKOSA-N 327.497 4.433 0 40 EIAB COc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cn1 225874799 HHGRLTKXAVXCBX-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB Clc1ccc(CNc2ccccc2N2CCOCC2)c(Cl)c1 226240172 KETHTKGLDXWYGZ-UHFFFAOYSA-N 337.250 4.442 0 40 EIAB Cc1cccc([C@@H]2CCCCN2C(=O)c2cnc([C@H](C)O)s2)c1C 252485432 GVOVRLKAZJNKLC-HOCLYGCPSA-N 344.480 4.181 0 40 EIAB Clc1ccc2c(c1)N=C(N1CCCCC1)[C@H](N1CCCCC1)O2 255189621 RDOILNSWDFNASB-GOSISDBHSA-N 333.863 4.060 0 40 EIAB CNC12C[C@H]3C[C@@H](C1)CC(C14C[C@H]5C[C@@H](CC(NC)(C5)C1)C4)(C3)C2 257157394 RFZPLLLYXVWISV-NDNBLMRGSA-N 328.544 4.103 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(-c3nccs3)n2)C1 257251286 JQCPVMTVMBIHJS-ZDUSSCGKSA-N 345.468 4.320 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)N1CCc2ccccc2C1 408702869 JCGTUAUYBPEDDT-UHFFFAOYSA-N 329.827 4.084 0 40 EIAB C[C@H](c1ccccc1)c1nc(-c2ccc(Br)cc2)n[nH]1 642882503 FJRKQBSAJUKFCP-LLVKDONJSA-N 328.213 4.386 0 40 EIAB COc1ccc2[nH]nc(NC(=O)c3oc4c(C)ccc(C)c4c3C)c2c1 1630792354 FAQKUXIZATWACE-UHFFFAOYSA-N 349.390 4.495 0 40 EIAB O=C(Nc1ccccc1-c1ccccc1)OC1CC2(CCNCC2)C1 1776010686 VSGFODDPKRKUEW-UHFFFAOYSA-N 336.435 4.434 0 40 EIAB Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cn1 1848353677 QLSCGSHWFLIZFP-UHFFFAOYSA-N 343.386 4.153 0 40 EIAB CCOC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 148064 RGQQSXGSVYFPIK-UHFFFAOYSA-N 348.424 4.153 0 40 EIAB O=C(Cc1ccccc1)NCCc1ccc(OCc2ccccc2)cc1 384403 QPCPBWHLPKMDQG-UHFFFAOYSA-N 345.442 4.167 0 40 EIAB COc1cccc(C2=N/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)O2)c1 430020 UXWCOQXOVAKPIH-PDGQHHTCSA-N 335.403 4.337 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 450068 OCHMMXKYISRONX-UHFFFAOYSA-N 327.733 4.331 0 40 EIAB CC(=O)Oc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 1097916 BNLBEKQUFMZROV-UHFFFAOYSA-N 345.398 4.131 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 1934044 JXVXVUVKXIHWCE-UHFFFAOYSA-N 345.826 4.433 0 40 EIAB COc1ccc(-c2nnc(SCc3cccc(C)c3)n2C)cc1 2443770 MTNQSHNSUDYRPZ-UHFFFAOYSA-N 325.437 4.091 0 40 EIAB O=C(O)/C=C/c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 2599712 IWJRYTKXVCCIKN-SOFGYWHQSA-N 333.174 4.406 0 40 EIAB CCN(CC)c1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 3252320 ZRXOMYAQEOHHJP-UHFFFAOYSA-N 342.464 4.045 0 40 EIAB O=C([C@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCCCC1 4746200 DKAZKQVGVCZXNP-FQEVSTJZSA-N 336.479 4.064 0 40 EIAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccccc2F)C1=O 5127483 VXPSJKGQAHQZES-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1N1CCCC1=O 5439985 VUXRRBVEWVLWLG-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB CCCN[C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5671778 QJQNWJDSSHGFLX-SFHVURJKSA-N 335.403 4.107 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc12 6667911 ZEENWVIQNBKDIF-RHSMWYFYSA-N 347.480 4.096 0 40 EIAB Cc1cccc(OCCCC(=O)Nc2ccccc2N2CCCC2)c1 7107159 QHCWOASZFVYOSK-UHFFFAOYSA-N 338.451 4.393 0 40 EIAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccco1 7679845 HIEWVHUUMPTULK-UHFFFAOYSA-N 349.761 4.360 0 40 EIAB Cc1nc2cc(NC(=O)c3c(-c4ccccc4)noc3C)ccc2o1 8133656 SEDHQDRHCZFCLX-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB CCn1c(NC(=O)c2ccccc2C(F)(F)F)nc2ccccc21 9467592 BUWDFGXNQBABJI-UHFFFAOYSA-N 333.313 4.327 0 40 EIAB C[C@H]1CCc2noc(NC(=O)COc3ccc(C(C)(C)C)cc3)c2C1 11915424 VGSMOZPHHGGCLP-ZDUSSCGKSA-N 342.439 4.114 0 40 EIAB c1csc(-c2cnc(N3CCCCC3)nc2-c2nccs2)c1 12251472 ALFRJFIUBVMBEG-UHFFFAOYSA-N 328.466 4.319 0 40 EIAB O=C(O)c1ccccc1SCc1csc(-c2ccccn2)n1 12750809 DKTKDWCHGSEPIS-UHFFFAOYSA-N 328.418 4.196 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3F)n[nH]2)cc1 12757118 VXOMIJZIXITSCY-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1ccc(C)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1 12859780 KEZOBHFBNKNSQF-ZDUSSCGKSA-N 341.382 4.150 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)c1ccccc1 12876915 ANOKZOSQCRVHEG-CYBMUJFWSA-N 337.398 4.119 0 40 EIAB CC(C)c1cc(C(=O)NCc2ccccc2)c2cnn(C(C)C)c2n1 12988896 XANCCZPTHSSJQC-UHFFFAOYSA-N 336.439 4.066 0 40 EIAB CCCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cccc(F)c21 13283970 XJIFMPOOPVLJDF-UGGIZNLBSA-N 346.452 4.454 0 40 EIAB COc1ccc(C)cc1NC(=S)Nc1cc(Cl)ccc1OC 13792525 YVIAEFBXVJXFAQ-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB O=c1[nH]c2c(-c3ccccc3F)sc(=S)n2c2ccccc12 15828649 PVMUHAPKRRLZIM-UHFFFAOYSA-N 328.393 4.378 0 40 EIAB COc1ccccc1[C@H]1CC(=O)c2cnn(-c3ccc(C)cc3)c2C1 17068325 PHQDKCJYQJVOFY-OAHLLOKOSA-N 332.403 4.102 0 40 EIAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1C 17135687 INSWQYHMGLEDMB-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1cc2ccccc2o1 18203878 ZFPCOQBMZNSSCP-CQSZACIVSA-N 331.375 4.110 0 40 EIAB CCCc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635864 XBEXBWOQIAXZLS-UHFFFAOYSA-N 330.391 4.116 0 40 EIAB COc1cc(CN[C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC 22781596 HJINAYCDMYDJAC-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB O=S(=O)(c1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 24573034 UCQFJNCADXXMKK-OAQYLSRUSA-N 349.455 4.023 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 24595381 CSBHVQUUCIEKTP-OALUTQOASA-N 327.424 4.120 0 40 EIAB C[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1F 24928061 LQIYPCDNGVQNAC-LBPRGKRZSA-N 341.411 4.335 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1(c2ccccc2)CC1 30637606 LCCWUBYQGSRUME-UHFFFAOYSA-N 349.453 4.450 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 30866154 SWLQDVQZUKGJPI-KRWDZBQOSA-N 341.451 4.094 0 40 EIAB c1ccc(CN2CC[C@H](Nc3ncnc4c3oc3ccccc34)C2)cc1 33010786 ORQCPTYXOKEATH-INIZCTEOSA-N 344.418 4.062 0 40 EIAB CCOc1cc(C(=O)Nc2ccccc2OC)cc(Cl)c1OC 33779288 JRDPDJQUGSXYRP-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2)CC1 40130570 PEQKZOVOBXPXOF-QGZVFWFLSA-N 339.464 4.311 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 42653683 RUQDGSMWCUHIAI-UHFFFAOYSA-N 328.375 4.186 0 40 EIAB CN(CCCc1ccccc1)C(=O)Cc1csc(-c2ccco2)n1 46639815 RUZNMXOHEGGIKU-UHFFFAOYSA-N 340.448 4.037 0 40 EIAB Cc1ccc(Cn2cc(-c3cnn(Cc4ccc(C)cc4)c3)cn2)cc1 49586915 ZDGOBMVKLLCOGQ-UHFFFAOYSA-N 342.446 4.460 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc3c(nc4sccn43)s2)cc1 53601350 LVCVSSTZUWIINY-UHFFFAOYSA-N 341.417 4.065 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)Nc3ccccc3F)o2)c1 56906003 LGDRPSYHRNHCSD-UHFFFAOYSA-N 326.331 4.137 0 40 EIAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2c(C)noc2C)c1Cl 58063464 KKFZJRYHAYBCCS-UHFFFAOYSA-N 349.239 4.016 0 40 EIAB CCOC(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 59421543 VPVGNODMXRSGGB-UHFFFAOYSA-N 343.386 4.240 0 40 EIAB in-vitro C/C=C/C=C/C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 59422180 YYRWKDYQHHUJRU-DSXPNFDZSA-N 335.382 4.364 0 40 EIAB Oc1nncc(N2CC=C(c3cccc4ccccc34)CC2)c1Cl 63738798 LLWAGFAEVBBDSR-UHFFFAOYSA-N 337.810 4.283 0 40 EIAB Cc1noc(C)c1CCC(=O)N1Cc2ccccc2-c2ccccc2C1 65614831 CDIKULAEUWATCI-UHFFFAOYSA-N 346.430 4.433 0 40 EIAB Cc1cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c(C)n1C(C)C 68481476 HLLGHAUFKKTRKN-KRWDZBQOSA-N 330.403 4.079 0 40 EIAB CCOC1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC1 69490137 ASFMWILAWAOJIG-UHFFFAOYSA-N 343.389 4.011 0 40 EIAB O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccoc1 69528197 VYNOYHDELWHIRS-UHFFFAOYSA-N 337.813 4.188 0 40 EIAB CC[C@@H](C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 71909319 HQHOZSKAEILDHA-IQMFZBJNSA-N 329.465 4.120 0 40 EIAB C[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@@H]2CCCC[C@H]12 75608931 CRJYPDURPPJCPH-RAIGVLPGSA-N 326.234 4.083 0 40 EIAB C[C@H](NC(=O)c1cccnc1SC1CCCC1)c1ccccn1 77561000 DDOIOLVZBNZNLF-ZDUSSCGKSA-N 327.453 4.002 0 40 EIAB Cc1nc(C2CCCC2)sc1C(=O)N1CCOc2ccc(F)cc21 88266026 MYMNKCSWMVEKGB-UHFFFAOYSA-N 346.427 4.287 0 40 EIAB c1cncc(-c2ncc(CNc3ccccc3-n3cccn3)s2)c1 90192249 IVJVYRBMOKYMGO-UHFFFAOYSA-N 333.420 4.003 0 40 EIAB Cc1nccn1Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 95398603 TVYJBVSUEMBXJS-GOSISDBHSA-N 349.459 4.068 0 40 EIAB c1ccc([C@H](NCc2ccc(N3CCCC3)nc2)C2CCCC2)nc1 95412275 XGLYUNQKAAWJSI-OAQYLSRUSA-N 336.483 4.098 0 40 EIAB CCn1nc(C)c([C@@H](C)NCc2coc(-c3ccc(C)cc3)n2)c1C 95423535 RKWCDYMKMRAHQG-CQSZACIVSA-N 338.455 4.334 0 40 EIAB Fc1ccc(Oc2ccc(CNc3ncncc3Cl)cn2)cc1 97104050 PVIIYHGGSYJYTK-UHFFFAOYSA-N 330.750 4.069 0 40 EIAB CC1(C)O[C@@]2(C)CC[C@H]1C(=O)OC2(c1ccccc1)c1ccccc1 100365256 HVDYOZGDLMDFIE-RXVVDRJESA-N 336.431 4.451 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1 106523362 YPWKBTDVBFAZMU-QGTPRVQTSA-N 346.471 4.129 0 40 EIAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118915053 SLODIKZFXFILEX-QIXFSGBHSA-N 332.484 4.341 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](O)[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 123386300 YQMXIAABFQDHTC-NDUYDNQLSA-N 334.500 4.322 0 40 EIAB CCCCC[C@@H]1O[C@@H]1/C=C/[C@@H](O)CCCCCCCC(=O)OC 140503151 FDTOYUCBNJBGLQ-YXQRUGASSA-N 326.477 4.155 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccccc1F 222704358 KEACWNMONNVVLZ-HNNXBMFYSA-N 331.456 4.196 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2ccccc2c1 222796127 POQLFJXNCSSEFB-FQEVSTJZSA-N 337.394 4.453 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCC2 223200790 PROHELNVDMCYHH-ZDUSSCGKSA-N 349.883 4.009 0 40 EIAB COc1ccc(Cl)cc1NC(=O)COc1cccc2c1CCCC2 223356865 FKNOFWCXSMCKCB-UHFFFAOYSA-N 345.826 4.245 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C 223639898 DDVUYMHGNXFMOO-INIZCTEOSA-N 325.452 4.490 0 40 EIAB Cc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2Cl)cc1 225005607 DVAGQOWBEOOOAN-UHFFFAOYSA-N 330.859 4.213 0 40 EIAB COc1cccc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225091437 ZDXAIGCSNVBWHW-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB CCOc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225108107 CTRPCJPGQMEEOX-FQEVSTJZSA-N 336.387 4.313 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264860 CNCUPUPLANUHDG-LLVKDONJSA-N 327.815 4.412 0 40 EIAB COc1cccnc1NC(=S)N[C@H](C)c1ccc(C(C)(C)C)cc1 225409437 AXXAAVNJGCYDEH-CYBMUJFWSA-N 343.496 4.435 0 40 EIAB Cc1ccc(NC(=S)NCCOc2ccccc2Cl)c(C)c1 225779224 KGDRVBCSBYJDBN-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1 225789371 AJGOCIYNIIEVOG-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccc(C(F)F)c1 386170646 MREQDHSVWGYFRS-CQSZACIVSA-N 326.387 4.436 0 40 EIAB O=C(C1CCC2(CC1)CC2)N1CCC(N2CCc3ccccc32)CC1 614480600 CNTZOAUGNSGWHS-UHFFFAOYSA-N 338.495 4.011 0 40 EIAB CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(NCc3ccccn3)c2)C1 636203632 AXSQYAMYXUNLDF-IAGOWNOFSA-N 337.467 4.344 0 40 EIAB O=C(NC(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(F)C2 1775967239 JRNGZOPZFBJMEP-OALUTQOASA-N 338.426 4.451 0 40 EIAB O=C(NC1CCCCC1)c1cc(-c2cccnc2)nc2ccccc12 217803 DYGIAVVVEDXNSL-UHFFFAOYSA-N 331.419 4.359 0 40 EIAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c2c1C 422602 QWEFXCZNLYDPKO-ZWNOBZJWSA-N 349.525 4.095 0 40 EIAB COc1ccc(C(=O)OCc2ccccc2CN2CCCCC2)cc1 1716150 PJXHHSDVQLIITH-UHFFFAOYSA-N 339.435 4.038 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC 2127284 FEVPDXFNJVJJEL-AWEZNQCLSA-N 339.435 4.074 0 40 EIAB CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 3896709 SJALNXBEQFPSCK-MRXNPFEDSA-N 335.451 4.289 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 4251572 GNCJHPAMBMBVCO-QGZVFWFLSA-N 347.443 4.338 0 40 EIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c1C 5050621 PHHSCGWMJKNFNO-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB CN(Cc1ccccc1Cl)C(=O)CCc1c[nH]c2ccccc12 5173215 QJOLDNGFKZGGFO-UHFFFAOYSA-N 326.827 4.413 0 40 EIAB O=C(CNc1cccc(F)c1)NC(c1ccccc1)c1ccccc1 5702250 ABFOHOPBQACSAL-UHFFFAOYSA-N 334.394 4.143 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 6235741 KTGJNWOMPFEZSO-NSHDSACASA-N 343.448 4.220 0 40 EIAB C[C@@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccc2ccccc2c1 8226145 QOEZJEDASGJPBH-HNNXBMFYSA-N 336.410 4.438 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 8302837 FNQIFQJVOMDQCC-UHFFFAOYSA-N 338.338 4.232 0 40 EIAB COc1cccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 8403398 SBZDEJDMKQSREY-UHFFFAOYSA-N 331.415 4.221 0 40 EIAB COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)OCC2 8816511 SKBXJHLNLXHULY-QGZVFWFLSA-N 338.325 4.385 0 40 EIAB CCOc1ccc2oc(=O)c(C(=O)Nc3cc(C)ccc3C)cc2c1 9236152 RLPZEROGADDLMK-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB CC[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cc(C)on1 9690341 NNGCKEPMFDHZGI-ZDUSSCGKSA-N 347.465 4.368 0 40 EIAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1Cl 12520204 KFANLEDAYCGQJH-VIFPVBQESA-N 334.206 4.361 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 12527057 ZAMYJTOOVIPOMI-UHFFFAOYSA-N 334.350 4.012 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2ccccc2)[nH]n1 12550235 WLPBUIBKRBAUBK-UHFFFAOYSA-N 325.799 4.002 0 40 EIAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1 13495363 IRPYFXYTNNYLFI-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB COc1ccc(C(=O)Nc2ccncc2Cl)cc1OC1CCCC1 13736993 FYZBEANPACBLTJ-UHFFFAOYSA-N 346.814 4.317 0 40 EIAB CC[C@@H](CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1 15543295 KOTGHDZNXULCPJ-INIZCTEOSA-N 341.451 4.406 0 40 EIAB CN(Cc1ccc(Cl)nc1)C(=S)Nc1ccccc1Cl 16188568 BIXQLYKQJWDRTK-UHFFFAOYSA-N 326.252 4.217 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C1 20042664 GLIXAVBDHRLAQD-AWEZNQCLSA-N 344.405 4.449 0 40 EIAB COc1ccc(SCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 20110198 KKTFVQYJAWHOHF-UHFFFAOYSA-N 345.464 4.360 0 40 EIAB Cc1ccccc1OCCN(C)C(=O)c1cc2ccccc2cc1O 24220538 XLGURXLMOYSDBO-UHFFFAOYSA-N 335.403 4.005 0 40 EIAB CCOCc1ccc(CNC(=O)c2cc3ccc(C)cc3nc2C)cc1 24745413 QVEZVQUJHTWMGQ-UHFFFAOYSA-N 348.446 4.318 0 40 EIAB CCOc1cc(CN[C@H]2CCOc3ccccc32)cc(Cl)c1OC 25357404 OFAVBWMVKJHYQT-INIZCTEOSA-N 347.842 4.361 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc3cn[nH]c23)cc1 32754588 PWWRYJJEQXLRLY-IBGZPJMESA-N 349.434 4.329 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 32772641 ZDLKCGKEOLYQTQ-UHFFFAOYSA-N 338.885 4.157 0 40 EIAB COc1ccc(NC(=O)CC(C)(C)C)cc1OCc1cccnc1 32832179 DPZVKPFPPMRFJK-UHFFFAOYSA-N 328.412 4.044 0 40 EIAB Cc1cccc(/C=C(/C(=O)N2C[C@H](C)O[C@H](C)C2)c2cccs2)c1 32906690 VWFJKGKGKSAAQE-LLAMLJDKSA-N 341.476 4.233 0 40 EIAB CCOc1ccc2c(C)c(C(=O)Nc3cccc(OC)c3)oc2c1 35686277 OYEVMIVRANAZGV-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB O=C(Nc1ccc(O)cc1)c1cc(Br)ccc1Cl 37247689 SZKBITDXAXSJPX-UHFFFAOYSA-N 326.577 4.060 0 40 EIAB O=C(NC1CCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38832545 IMBGNGGONMQNRO-INIZCTEOSA-N 334.891 4.001 0 40 EIAB CCCCc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 40157412 BJPYYEJLSWHRLI-HNNXBMFYSA-N 335.451 4.325 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1cccnc1 44951404 BTXXTURTBNVIJF-XHDPSFHLSA-N 347.871 4.332 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@H]1c1ccsc1 46003966 SFCIAOYICODNKJ-HNNXBMFYSA-N 340.408 4.167 0 40 EIAB O=C(Nc1ccccn1)c1cccnc1SCc1ccc(F)cc1 56373955 NIMYGMBLEBNKGO-UHFFFAOYSA-N 339.395 4.160 0 40 EIAB CCn1ccc2cc(NC(=O)COc3ccc4c(c3)CCC4)ccc21 58419069 UPISETHUDSKUNP-UHFFFAOYSA-N 334.419 4.167 0 40 EIAB Cc1ccc(CSCCNC(=O)CCc2ccc(F)cc2)cc1 60906140 DXNIDGYPRJCVHM-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)n1 61108326 UGSFKECDPUCWMT-QGZVFWFLSA-N 333.435 4.039 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCCC2)c1 65610734 UOCWZAMUMYAWBO-UHFFFAOYSA-N 344.842 4.197 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](CCCc2ccccc2)[C@H]1C(=O)O 72233785 MCODWISZPDFBOP-SJORKVTESA-N 347.455 4.110 0 40 EIAB CCc1ccc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 72276855 MVBAZGURQCVJRM-QGZVFWFLSA-N 336.357 4.081 0 40 EIAB Cc1nc2cc(NC(=O)Nc3cc(-c4nnco4)ccc3C)ccc2o1 72290960 UABXGIYGVLDLJV-UHFFFAOYSA-N 349.350 4.139 0 40 EIAB CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 84757329 WNXXSNBMCXTWSD-OAHLLOKOSA-N 345.874 4.038 0 40 EIAB CCc1cnc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccccn2)s1 86428805 IZYOPJBWISDIMJ-CHWSQXEVSA-N 344.484 4.097 0 40 EIAB C[C@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)Cc1ccc(Cl)cc1 93158150 VMZIZLMQGGVWPX-LBPRGKRZSA-N 342.826 4.042 0 40 EIAB C[C@H](OC(=O)c1ccccc1C(=O)O)c1ccccc1C(F)(F)F 95079996 GOSSQWXBWXTINY-JTQLQIEISA-N 338.281 4.322 0 40 EIAB in-vitro O=C1C[C@@H](CN[C@H]2CCSc3ccc(F)cc32)c2ccccc2N1 95423600 QATPZMCCAIZREM-LRDDRELGSA-N 342.439 4.078 0 40 EIAB CC(=O)Nc1cc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1C 95990610 KILYJAWRHOHQTA-ZDUSSCGKSA-N 328.460 4.386 0 40 EIAB Cc1ccc(-c2n[nH]cc2CNCc2ccc(COC(C)C)cc2)o1 97159623 RFYYSLYVVVFDRD-UHFFFAOYSA-N 339.439 4.193 0 40 EIAB Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C\C(=O)O)n2)cc1 100296832 PWACSDKDOHSSQD-WKLWQRMESA-N 348.446 4.015 0 40 EIAB fda COCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 102204739 SMNHPSXIWLSABU-YPKPFQOOSA-N 349.386 4.118 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@@H]2CCCO2)c1 104677045 UZPJQMKWIOVIIQ-GGXPGOJBSA-N 329.440 4.009 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 216328255 VPCIEOPFGBELFU-GFCCVEGCSA-N 333.815 4.317 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1cc(C)ccc1C 219276022 YGVYPBWEWBYXBG-UHFFFAOYSA-N 339.479 4.384 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1C 219510305 IUGKBYSPQLCDFE-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CCCC[C@@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C 223226118 LMMZGBXRUPOYMD-KRWDZBQOSA-N 331.456 4.429 0 40 EIAB CCCc1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1 225194469 PGNVPLMSHBNNMA-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCCCOc1ccc(I)c2cccnc12 225390985 DPICCPAHVDQBMQ-UHFFFAOYSA-N 327.165 4.018 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1cc(C)ccc1C)c1ccccc1 408978739 JQPUNPRTUXZANW-GOSISDBHSA-N 340.423 4.119 0 40 EIAB c1cc(CN2CCC[C@H](c3cccc4nccn34)C2)c2cc[nH]c2c1 585182555 NZDLJHHBLWIFOV-KRWDZBQOSA-N 330.435 4.195 0 40 EIAB Cc1cn(-c2cncc(-c3cccc(CN4CCC[C@@H]4C)c3)c2)cn1 629703079 ZCHQCKVJQISZEZ-KRWDZBQOSA-N 332.451 4.227 0 40 EIAB CCc1c(C(F)(F)F)nc2ccc(OC(F)(F)F)cc2c1O 685938219 LUKGNSXXIUODLV-UHFFFAOYSA-N 325.208 4.420 0 40 EIAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 413173 VJJCIAONDZHRNJ-UHFFFAOYSA-N 347.827 4.186 0 40 EIAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc(F)cc1 818493 TURSVSDJYMTVRJ-UHFFFAOYSA-N 336.366 4.012 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1 1397286 WFSSXWCQSGFJKB-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 2402424 IIKINWIMWHBMDZ-INIZCTEOSA-N 339.778 4.012 0 40 EIAB Fc1ccccc1CSc1ncnc2c1cnn2-c1ccccc1 3378383 BWVZSEZNCKUNHH-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB Cn1cnnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3395193 LJSMZHQSYQXWGN-GOSISDBHSA-N 348.431 4.013 0 40 EIAB Cc1ccc(S(=O)(=O)[C@H](c2ccccc2)c2c(C)noc2C)cc1 4656170 ZEKHPEYYOIKDQJ-LJQANCHMSA-N 341.432 4.163 0 40 EIAB O=C(c1ccccc1)[C@H]1OC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 4769303 SGVOKFURKTYPGV-SJBKTWHCSA-N 342.394 4.362 0 40 EIAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2F)c(C)s1 5260355 JQRNUXHRXDLJBE-UHFFFAOYSA-N 347.440 4.060 0 40 EIAB COc1ccc2ccc(O[C@@H](C)C(=O)N(C)c3ccccc3)cc2c1 5365707 JCIRYSJSMVWWAR-HNNXBMFYSA-N 335.403 4.279 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 5965361 RUNYPLNONFMODC-JTQLQIEISA-N 340.206 4.408 0 40 EIAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(F)cc1Cl 6226070 RPIBSOUCSLMPBH-NTUHNPAUSA-N 337.759 4.309 0 40 EIAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 6507448 MXHGDSCJSSHONN-UHFFFAOYSA-N 343.452 4.287 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc12 7655316 NZXLSUPYHZQXLX-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB Cc1ccc([C@H](N[C@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 10351411 YKBYCKPRRQPDIL-ACJLOTCBSA-N 344.405 4.341 0 40 EIAB Cc1cc(C)n(-c2ccc(SCc3c(F)cccc3Cl)nn2)n1 11067608 URQPKDVCMMXVNZ-UHFFFAOYSA-N 348.834 4.364 0 40 EIAB Cc1nn(Cc2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12 12394544 UBIZVECNPADQIV-UHFFFAOYSA-N 341.798 4.017 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)N1CCO[C@H](c2ccccc2)C1 12441514 GMCUGOLAHOHCSS-INIZCTEOSA-N 336.218 4.207 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(F)cccc3[nH]2)cc1 12792462 FOAZGUIWOXRDSL-IBGZPJMESA-N 338.382 4.293 0 40 EIAB CCC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 12913977 ZIWLSDMPVXQZEF-LJQANCHMSA-N 336.435 4.306 0 40 EIAB Cc1ccsc1CN(CCCO)Cc1ccc(C(F)(F)F)cc1 13997338 SQEBDSCRZBNMNQ-UHFFFAOYSA-N 343.414 4.460 0 40 EIAB CCc1nnc(NC(=O)CSc2c(Cl)cccc2Cl)s1 14114122 WYHAWQPEWQOTCD-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(C)cc1 14219741 PAEKFXKFNUAWKL-SFHVURJKSA-N 331.481 4.350 0 40 EIAB O=C(OC[C@H]1CC1(Cl)Cl)c1ccc(-c2ccc(O)cc2)cc1 15354752 SBXBSGYFNHQABJ-CQSZACIVSA-N 337.202 4.410 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1 17976264 BPTMEHZRBCEALN-RTBURBONSA-N 335.403 4.467 0 40 EIAB CCc1ncc(CN(CCc2ccccc2)Cc2cccs2)cn1 19523289 HLIQLGAAFJSCGG-UHFFFAOYSA-N 337.492 4.345 0 40 EIAB Cc1cccc2sc(NC(=O)c3ccc(Cn4cccn4)cc3)nc12 21447382 FJXKJEMNWJLMBP-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 24183528 DHPRGTNPYQQLRN-CYBMUJFWSA-N 338.329 4.065 0 40 EIAB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC 24452545 NTHUFTYPDBSHDB-GFCCVEGCSA-N 333.815 4.190 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@H]1Cc2ccccc2C1=O 35316511 RBPKYYKROVTQNM-SJORKVTESA-N 329.440 4.221 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 38752451 CRDWNNYWVYNSCB-AWEZNQCLSA-N 325.742 4.414 0 40 EIAB O=C(Nc1nc2ccccc2s1)N(Cc1cccc(O)c1)C1CC1 42749114 ZYIPDZPMRYBALT-UHFFFAOYSA-N 339.420 4.198 0 40 EIAB C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]21CCC(=O)O1 43722101 UJVLDDZCTMKXJK-RLFCDOPRSA-N 340.463 4.370 0 40 EIAB Cc1cc(N)cc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 45890057 YLTHRYHVYWOXAW-UHFFFAOYSA-N 326.440 4.201 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O 49793374 PIWYMPXOKMFVER-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB in-vivo Oc1cccc(CNc2nc(-c3ccncc3)nc3ccccc23)c1 54125101 CCQCDYZSPYPWQK-UHFFFAOYSA-N 328.375 4.010 0 40 EIAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C(C)C)CO2 57140137 OUGYBRNJTHBBAG-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic CC(C)OC(=O)CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 57594762 USUDKQMZNRUKPC-UHFFFAOYSA-N 340.379 4.049 0 40 EIAB Cc1cccc(-n2c(C)nnc2SCCOc2ccc(F)cc2)c1 58024175 PEACFMJMZJWCRI-UHFFFAOYSA-N 343.427 4.194 0 40 EIAB Cc1ncc(CN(C)C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1 58265380 NBQVNCMQHQLELK-UHFFFAOYSA-N 342.424 4.134 0 40 EIAB Cc1ccc(NNC(=O)c2cccn2Cc2cccs2)cc1Cl 70857434 FZNDZSBEIMFLOF-UHFFFAOYSA-N 345.855 4.317 0 40 EIAB COc1ccc(-c2cc(-c3ccc(C)cc3C)nc(N)n2)c(OC)c1 71978011 QBERXNDMCHJQIP-UHFFFAOYSA-N 335.407 4.027 0 40 EIAB COc1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1O 72271305 MSZUNLOQFUSGQL-CYBMUJFWSA-N 340.448 4.375 0 40 EIAB c1ccc([C@@H]2c3cccn3CCN2CCc2ccc3c(c2)CCO3)cc1 72305144 FIEPNGPCWCDKPT-HSZRJFAPSA-N 344.458 4.071 0 40 EIAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2-c2cncnc2)C1 78101588 YLTATYUCUYBXOY-KRWDZBQOSA-N 343.430 4.082 0 40 EIAB C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 84689697 NVSKYIIDYZNTTH-GUYCJALGSA-N 328.416 4.149 0 40 EIAB C[S@](=O)c1ccc(CN[C@H](c2cc3ccccc3o2)C2CC2)cc1 95409646 VSGRGLCDHKQWKL-GBXCKJPGSA-N 339.460 4.411 0 40 EIAB COc1ccc([C@@H](OC)[C@@H](C)NCc2cnc(C(C)(C)C)s2)cc1 95459055 KNTBNDQNQAETKB-DYVFJYSZSA-N 348.512 4.315 0 40 EIAB Oc1cccc(Br)c1-c1c(O)cccc1Br 95486383 NDQOLNBADLRBOZ-UHFFFAOYSA-N 344.002 4.290 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1 96003920 YGIUAPIWZPYFTJ-HZPDHXFCSA-N 348.284 4.345 0 40 EIAB CC(C)C(=O)N1CCC2(CCc3ccc(-c4ccncc4)cc32)CC1 96241717 QWSJUKKWHIEJQQ-UHFFFAOYSA-N 334.463 4.211 0 40 EIAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 96296207 WWICIZFBEMBPEY-INIZCTEOSA-N 333.863 4.150 0 40 EIAB biogenic,in-vitro CN(Cc1cscn1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 96404681 UODSTTYRPIEMEY-STQMWFEESA-N 341.263 4.212 0 40 EIAB C[C@@H](Sc1nncn1Cc1ccco1)c1ncc(C(C)(C)C)o1 96447684 NBICMDXEYYVODJ-LLVKDONJSA-N 332.429 4.058 0 40 EIAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 100993534 TZKYVSVLKMTGEL-HNNXBMFYSA-N 326.762 4.127 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 103074917 IFRSYECQIYCSLQ-HKUMRIAESA-N 342.266 4.313 0 40 EIAB Cc1ccc(CSCC(=O)NCc2cccc(OC(C)C)c2)cc1 113934959 WUSJCLDCBOKCPZ-UHFFFAOYSA-N 343.492 4.332 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 223317193 OIVYNMVHVDYGBX-UHFFFAOYSA-N 337.341 4.423 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223445115 GMUVPMCZWLJFHY-QGZVFWFLSA-N 331.481 4.101 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)CSCc2ccccc2C)c1 224054411 XRKMNGHGXRYQFN-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1 225105154 IAWLYTXXWVZIBC-GOSISDBHSA-N 325.452 4.128 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cc(C)ccn2)cc1 225501799 ZNYYKNIRJLLTGM-QGZVFWFLSA-N 343.496 4.472 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225537278 VKDMWMRZNOLDEY-CQSZACIVSA-N 342.464 4.138 0 40 EIAB CCCOc1c(C)cc(NC(=O)C(C)(C)Br)cc1C 225595596 IDRNHKAIWGSSHW-UHFFFAOYSA-N 328.250 4.204 0 40 EIAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl 225825309 FTUZXFNKTHCPLM-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CC(C)c1nsc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 567006107 BCFAFYMKAVZKAF-UHFFFAOYSA-N 346.431 4.326 0 40 EIAB Cc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 575612525 LDGRWTXYTGFYAU-CQSZACIVSA-N 345.830 4.119 0 40 EIAB Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@H](C)C(C)(C)C 585087499 YIWNSULFNVRYOB-KSSFIOAISA-N 326.440 4.092 0 40 EIAB O=C(CSc1ccc(F)cc1)NCc1ccc(-c2ccco2)o1 585147814 PHCVDDJSAONMFU-UHFFFAOYSA-N 331.368 4.087 0 40 EIAB CC(C)Cn1c([C@@H]2CCCN2C(=O)c2cccnc2)nc2ccccc21 604419337 ULKQRHXMJSYFHA-IBGZPJMESA-N 348.450 4.065 0 40 EIAB O=C(Cc1ccccc1Cl)NCC(c1ccco1)c1ccco1 675007770 OQGIXCVQLJGHMU-UHFFFAOYSA-N 329.783 4.017 0 40 EIAB FC(F)(Br)c1nc2ccc(Br)cc2o1 1848350520 VFSKNYQZNKJHBT-UHFFFAOYSA-N 326.922 4.035 0 40 EIAB C[C@@H](c1ccccc1)N1CC[C@@H](Oc2ccncc2Br)C1 1888860430 FKSVHZVGMYAORG-DZGCQCFKSA-N 347.256 4.058 0 40 EIAB COCc1nc2ccccc2n1CCOc1cccc2ccccc12 246985 ZGBDSBAKPMULGR-UHFFFAOYSA-N 332.403 4.415 0 40 EIAB Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 422933 BHFJNWYLWMOLTH-CRAIPNDOSA-N 328.799 4.418 0 40 EIAB Cc1ccccc1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 573739 ZPBNYUOXWHPDRP-UHFFFAOYSA-N 332.403 4.181 0 40 EIAB CCN(CC)CCCOC(=O)C(c1ccccc1)c1ccccc1 1827163 STNOBQQZVRBHSV-UHFFFAOYSA-N 325.452 4.094 0 40 EIAB biogenic COc1ccc(OC)c(Nc2nc(C)nc3sc4c(c23)CCC4)c1 3251658 QQGLFALVVUBWQD-UHFFFAOYSA-N 341.436 4.249 0 40 EIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 4108090 INSLXFYFKVXSQF-NSHDSACASA-N 348.324 4.083 0 40 EIAB CCOc1ccc(NC(=O)CSCc2ccccc2)cc1OCC 4836578 KXKFKOUHYNXEFJ-UHFFFAOYSA-N 345.464 4.356 0 40 EIAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CNc1ccc(F)cc1 5512972 ZFRJBEJMVYQTNC-DHDCSXOGSA-N 346.358 4.071 0 40 EIAB COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1OC 5745645 VNUHMGIUHXZFDZ-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB O=C1N/C(=C/c2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 5771203 HIVKLQRCDKYOLJ-NTEUORMPSA-N 333.174 4.091 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cn4ccccc4n3)c2)cs1 6647711 OTXVEQDBXFIYMA-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nc(SC(C)C)ncc2Cl)c1 6748059 IFXOSQQKIXSNEF-UHFFFAOYSA-N 335.860 4.500 0 40 EIAB CC(C)(C)c1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1 6871892 URQUAZKYRRFABB-UHFFFAOYSA-N 331.843 4.333 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 7736082 YUSPSTFDIYTYFP-UHFFFAOYSA-N 340.423 4.295 0 40 EIAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccccc3)ccc2c1 7926778 JWNWPMXPZGLRKK-MRXNPFEDSA-N 348.446 4.307 0 40 EIAB COc1cccc(-c2noc(COc3ccc(F)cc3Cl)n2)c1 7982200 WDAMOWUYERMOPH-UHFFFAOYSA-N 334.734 4.117 0 40 EIAB Cc1ccsc1/C=C/C(=O)N(C)Cc1nc2ccccc2s1 8265639 ZZTFAMZLSWQMPK-BQYQJAHWSA-N 328.462 4.338 0 40 EIAB CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1 8719567 RHDDWDBLJWVMKQ-HXUWFJFHSA-N 349.434 4.154 0 40 EIAB O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccsc1 8923738 OSBDNDKUJNLSOP-UHFFFAOYSA-N 340.379 4.392 0 40 EIAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 9063562 HTZNUBFJAOXBTL-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2cnn(C(C)C)c2n1 10808822 MZDQSVGITORVPH-UHFFFAOYSA-N 328.803 4.226 0 40 EIAB O=C(Cc1ccsc1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181124 FYOJEFVUGHMXKV-ZNXRZULTSA-N 329.440 4.367 0 40 EIAB O=C(C[C@H](C(=O)c1ccccc1)c1ncc[nH]1)c1ccc(Cl)cc1 12576349 DZBSOJNZJZKHPN-MRXNPFEDSA-N 338.794 4.303 0 40 EIAB CSCc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 12888653 BJWDXYBZCYLIPY-UHFFFAOYSA-N 325.477 4.401 0 40 EIAB O=c1c2cc(OC/C=C/c3ccccc3)ccc2nc2n1CCCCC2 12902017 XBCAWCWCVOYGLD-JXMROGBWSA-N 346.430 4.215 0 40 EIAB biogenic CCOc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12911901 DDIRWLHQZQUZDB-UHFFFAOYSA-N 337.379 4.060 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 12985292 OLAZSNDDWPWOKN-LJQANCHMSA-N 329.827 4.295 0 40 EIAB Cc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)o1 12998737 UNJANKSYOYKMAU-NHAQELONSA-N 326.421 4.431 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)SCCCc2ccccc2)cc1 15492054 UMWGWTVSAADBNZ-OAHLLOKOSA-N 329.465 4.388 0 40 EIAB COc1cc(Cl)cc2c1OC=CC(C(=O)NC1CCCCC1)=C2 15838698 XRJFWELPWNLVKM-UHFFFAOYSA-N 333.815 4.087 0 40 EIAB CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 16183439 BPDXUSPKHYXBTN-UHFFFAOYSA-N 337.375 4.096 0 40 EIAB CC(C)CCNc1nc(-c2cc3c4c(c2)CC(=O)N4CCC3)cs1 16939716 RWFYAOXXQYQCFD-UHFFFAOYSA-N 341.480 4.103 0 40 EIAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2F)s1)c1ccccc1 17056432 XSKZCLZLZOUYPW-CYBMUJFWSA-N 341.411 4.477 0 40 EIAB CN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 17356815 NBRXUQNHESQSAT-UHFFFAOYSA-N 342.464 4.405 0 40 EIAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3cccc(C)c3)nc21 21801427 YEWKLOIJXARIMR-UHFFFAOYSA-N 333.439 4.471 0 40 EIAB COc1ccc(CN[C@H](C)c2cc3cccc(OC)c3o2)cc1OC 28925819 ISWPEKIWRPQSAZ-CYBMUJFWSA-N 341.407 4.309 0 40 EIAB CN(C)C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccccc1 29954236 GLSARPJENNLTOL-SFZDQAMXSA-N 344.458 4.272 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c(Cl)c1 31721851 SJWLYWZFXRKITA-UHFFFAOYSA-N 334.828 4.239 0 40 EIAB CC[C@@H](C(=O)Nc1cccc(NC(=O)NC2CC2)c1)c1ccccc1 32906535 QUYUXQJBGRMJAK-GOSISDBHSA-N 337.423 4.103 0 40 EIAB COc1ccc([C@H](NC(=O)Cc2cccc3cccnc23)C2CC2)cc1 40034521 AZFQYAYNKIVLCD-JOCHJYFZSA-N 346.430 4.053 0 40 EIAB COc1ccc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1OC 40088618 FSFGVNBLSLRHKA-HZPDHXFCSA-N 335.488 4.407 0 40 EIAB CC(C)CC(=O)Nc1ccc(-c2csc(-c3cnccn3)n2)cc1 40156693 FSYIOOSDUYRKCF-UHFFFAOYSA-N 338.436 4.252 0 40 EIAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)C[C@@H](C)c1ccc(F)cc1 58228044 DVYMVHGPUAREMX-GFCCVEGCSA-N 338.386 4.052 0 40 EIAB COc1cc(CN(C)[C@H](C)c2nc(C(C)C)no2)ccc1SC 60356190 YCBJRUYWSWEXCP-GFCCVEGCSA-N 335.473 4.117 0 40 EIAB Cc1cc(OCc2ccccc2)cc(C)c1I 67172231 ICHZYYGVAKLSCT-UHFFFAOYSA-N 338.188 4.487 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2ccccc2SC(=O)N(C)C)s1 68314830 QYGFJUVVQSOVIC-ZHACJKMWSA-N 346.477 4.482 0 40 EIAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cc1 69452547 DJAUCSVNUQQSTQ-RCCFBDPRSA-N 327.449 4.224 0 40 EIAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1Cl 69460890 XCKKXZSPDXVRFO-UHFFFAOYSA-N 344.773 4.107 0 40 EIAB Cc1cc(NC(=O)[C@H](C)SCc2ccc(F)cc2Cl)no1 71877687 WWZPNSDKOUHCNM-VIFPVBQESA-N 328.796 4.036 0 40 EIAB CCc1nc2cc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)ccc2o1 71910927 QEJWSBIPEGFBNC-SNVBAGLBSA-N 341.333 4.196 0 40 EIAB Cc1noc(C2(NC(=O)Nc3cccc(Cl)c3C)CCCCC2)n1 75164123 YMUVNGPAAACGFP-UHFFFAOYSA-N 348.834 4.321 0 40 EIAB CC[C@@H](C)N(C)C(=O)c1cc(Br)cc(OC(C)C)c1 95962988 ZKYUXADZMICNIX-LLVKDONJSA-N 328.250 4.107 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cccc(Cl)c1Cl 100189291 VCQWNMDJRBTWEZ-LRDDRELGSA-N 334.250 4.354 0 40 EIAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C[C@@H](c2ccco2)C1 102744007 AHOFYAJZRCKICY-SJKOYZFVSA-N 348.362 4.292 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc(C)cc1C 113970012 AORIMYRHYKWPGM-SFHVURJKSA-N 341.451 4.176 0 40 EIAB O=C(O)/C=C/c1ccc(Cl)c(NC(=S)Nc2ccccc2)c1 216929579 JZOCFTVJFUIPHM-VQHVLOKHSA-N 332.812 4.247 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)[nH]c3C)N21 222671446 SGKNYOTXVMTUPJ-RRQGHBQHSA-N 326.469 4.006 0 40 EIAB CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223126353 FGSRCVYPQVEXIA-FQEVSTJZSA-N 341.426 4.351 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc(C)c1Cl 224137991 ILOUKJHFOKHXSE-AWEZNQCLSA-N 349.833 4.222 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCC3CCCCC3)cc2)C1 224335429 AZMNMXZRDKUEMT-KRWDZBQOSA-N 328.500 4.229 0 40 EIAB Cc1cc(O[C@H](Cc2ccccc2Cl)C(=O)O)ccc1Cl 225056316 MUCQFRPUECJLOT-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CCOc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 225622168 ZDZMPZAOZBAQLU-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB CSc1cccc(NC(=O)c2snnc2-c2cccs2)c1 225789217 ZIHZMIYFBPQHFT-UHFFFAOYSA-N 333.463 4.241 0 40 EIAB CC(C)(C)NC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1 225896901 WMRICJRZQSGCGR-UHFFFAOYSA-N 336.848 4.007 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)[C@H](c3cccnc3)C(C)C)c2)n1 390835022 AZYSAVYDLXHLIO-FQEVSTJZSA-N 346.434 4.225 0 40 EIAB O=C(c1ccc2c(c1)CCO2)N1CC2(CCCC2)c2c(F)cccc21 523335911 VEQMZMGYQOYUSY-UHFFFAOYSA-N 337.394 4.233 0 40 EIAB C[C@H]1CC(c2ccc(Cl)cc2)=NN([C@H](C)c2ccncc2)C1=O 634627156 WLSSOKLUTNTFPJ-QWHCGFSZSA-N 327.815 4.069 0 40 EIAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)cc2)cc1 104522 NIVYHBWXSKJHGZ-HXUWFJFHSA-N 330.387 4.472 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1 341877 UCINZOVGBCQRKF-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB COc1cccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1 365002 UODCIPOGUYBPOZ-UHFFFAOYSA-N 347.370 4.167 0 40 EIAB Cc1ccc2nc3sc(C(=O)N4CCC(C)CC4)c(N)c3cc2c1 422152 PPAOIJJAJPDZBR-UHFFFAOYSA-N 339.464 4.212 0 40 EIAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 514259 LMKDWJBXHCCYLX-UHFFFAOYSA-N 325.433 4.363 0 40 EIAB CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 549272 QJPFEAYAWOQJHU-CQSZACIVSA-N 328.799 4.106 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 568850 YOXXBZYWBJVEDE-GFCCVEGCSA-N 330.428 4.466 0 40 EIAB COc1ccc(N2C(=O)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 1714392 MRFTYKHBSOCUAM-ATVHPVEESA-N 335.403 4.166 0 40 EIAB COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCCCC2 2748144 OTQDSIIFKMHOJH-UHFFFAOYSA-N 347.436 4.347 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 3263827 PSSLTZKPNBTOJL-UHFFFAOYSA-N 345.704 4.256 0 40 EIAB CC[C@@H]1CCc2sc(C(=O)NCc3ccccc3OC)cc2C1 3344871 SUHOSCOUOCDHBK-CYBMUJFWSA-N 329.465 4.202 0 40 EIAB Cc1cc(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc12 3571261 KQANEFJPRAXHHS-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(Br)cc2)c1C 4707945 JNIRSUCRIFCGQM-UHFFFAOYSA-N 334.213 4.262 0 40 EIAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1ccc2ccccc2n1 4932209 OISLOLGTSWQKPX-UHFFFAOYSA-N 347.418 4.142 0 40 EIAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 5105237 ICDVJJSGHQCMIN-UHFFFAOYSA-N 349.839 4.232 0 40 EIAB Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1C 6217500 TUUJRXMWTNGKFX-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(C(F)(F)F)cc1 6628346 QVEIANUBRUHMPF-UHFFFAOYSA-N 337.297 4.119 0 40 EIAB COc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 7844221 QSLRQOMGANNNMO-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB COc1cccc2c(O)c(CN(CC(C)C)CC(C)C)c(C)nc12 8700875 CFPUREXLKMITAN-UHFFFAOYSA-N 330.472 4.371 0 40 EIAB biogenic O=C(CSc1ncc(-c2ccccc2)[nH]1)N1CCCc2ccccc21 8769888 QGSMJSWWUPXXPA-UHFFFAOYSA-N 349.459 4.148 0 40 EIAB CCCCNc1nnc(SCC(=O)c2ccc3c(c2)CCC3)s1 8941108 PCCUVPMSJKTWKU-UHFFFAOYSA-N 347.509 4.214 0 40 EIAB COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccco1 9781658 KRFFIZCZRCRQOP-GOSISDBHSA-N 346.386 4.280 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1Cl 9992172 LTMFMJXIPCBJIT-UHFFFAOYSA-N 346.833 4.005 0 40 EIAB O=C(O)c1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1 12177678 XEMYELJVUGNBMJ-UHFFFAOYSA-N 346.795 4.381 0 40 EIAB C[C@H](Oc1cccc(Br)c1)c1nc(-c2ccncc2)no1 12401969 ASKRYJFMJWAWIC-JTQLQIEISA-N 346.184 4.034 0 40 EIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3F)c12 12746801 XCGYVWDZWYMAKL-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)cc1 12893980 SLBVJRQUFQKUHP-JTQLQIEISA-N 348.855 4.241 0 40 EIAB Clc1cccc2nc(-c3ccccn3)n(CCc3ccncc3)c12 13211790 LDUHHYGRLLRLRE-UHFFFAOYSA-N 334.810 4.389 0 40 EIAB COc1cccc(-c2nc(C)c(C(=O)Nc3ncccc3C)s2)c1 13691742 ICEZVZSSZMHVLP-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1c1cccs1 14171926 ZJTOJALFMXCRQA-ZDUSSCGKSA-N 344.461 4.345 0 40 EIAB COc1ccc(C2(NCc3ccc(-n4cccn4)cc3)CCCC2)cc1 19553796 QJPATAQOPXMMGR-UHFFFAOYSA-N 347.462 4.440 0 40 EIAB Cc1nc(N(Cc2ccccc2)Cc2ccccc2)sc1C(=O)O 20156567 BPNHICKRAFSNNP-UHFFFAOYSA-N 338.432 4.357 0 40 EIAB CC[C@H](NC(=O)CSc1ccc(OC)c(OC)c1)c1ccccc1 20451593 KXFLUSQOVHDSMO-INIZCTEOSA-N 345.464 4.063 0 40 EIAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1C 22073046 LQZIGCHFKANXAZ-UHFFFAOYSA-N 347.418 4.072 0 40 EIAB C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 24760019 XXVKSSJOWRSXRB-SECBINFHSA-N 349.253 4.483 0 40 EIAB Oc1ccc(CN2CCN(c3ccccc3F)CC2)c2ccccc12 25776920 XFFFUQRTDSJPFN-UHFFFAOYSA-N 336.410 4.007 0 40 EIAB CN(CCC(=O)Nc1ccccc1Cl)[C@H]1CCc2ccccc21 26915746 QAJOMRQOPAKEAP-SFHVURJKSA-N 328.843 4.288 0 40 EIAB CCOc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 27994599 RKFXYFOXBVGPRW-UHFFFAOYSA-N 326.327 4.132 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 30862403 GBUZGNZPDBICFY-IAGOWNOFSA-N 341.451 4.347 0 40 EIAB c1ccc(Cc2nc(COc3ccc(-c4nnco4)cc3)cs2)cc1 31650787 CLJCFCMFOOTHPT-UHFFFAOYSA-N 349.415 4.363 0 40 EIAB O=C(CSc1nc(CCC2CCCC2)n[nH]1)c1ccccc1F 31797000 CYBMGCSJIRKBEI-UHFFFAOYSA-N 333.432 4.042 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N1c2ccccc2C[C@H]1C 31864721 UQWBATZJLURMIB-GFCCVEGCSA-N 335.432 4.105 0 40 EIAB Cc1ccc2c(c1)OC=CC(C(=O)Nc1ccc3oc(=O)ccc3c1)=C2 33026947 WAUJPKUFNDYDKW-UHFFFAOYSA-N 345.354 4.030 0 40 EIAB S=C1NC(c2ccccc2)=C[C@H](c2cccc(Br)c2)N1 35023134 ZXIIKLGVYICOOS-OAHLLOKOSA-N 345.265 4.009 0 40 EIAB CCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 40132923 CWXAMAXCZPGYHZ-UHFFFAOYSA-N 342.487 4.244 0 40 EIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cc(Cl)c2c(c1)OCO2 49546893 VYOVAMFSGMLHAN-JTQLQIEISA-N 347.802 4.144 0 40 EIAB O=C(NC1CCCCC1)c1ccc(Nc2ccccc2C(=O)O)cc1 55104258 POMWYOUFACGJBB-UHFFFAOYSA-N 338.407 4.191 0 40 EIAB Cc1ccoc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 55647113 NGAXOWFLMRKZQX-OAHLLOKOSA-N 336.391 4.053 0 40 EIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)C2CCCCC2)c1 57010732 HLCXKPPJOJSDFI-UHFFFAOYSA-N 330.497 4.315 0 40 EIAB CCOC(=O)c1ccc(Nc2ncnc3ccc(Cl)cc23)cc1 57519767 FHLBHQYBAJLYSL-UHFFFAOYSA-N 327.771 4.204 0 40 EIAB O=C(Cc1ccc2ccccc2c1)N1CC=C(c2ccc(O)cc2)CC1 57841253 QPCNCJAANUBCCU-UHFFFAOYSA-N 343.426 4.404 0 40 EIAB C[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 58167229 WXNDFKXIAJAKMC-GWCFXTLKSA-N 340.250 4.071 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(-c2cnco2)cc1 58356643 VBHKWXNXBKLNFF-UHFFFAOYSA-N 331.331 4.249 0 40 EIAB COc1ccc(C2=CCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1 61107027 NEGPHEKXVLHCSX-UHFFFAOYSA-N 345.446 4.170 0 40 EIAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C 61409413 GJFCIJNHSDXUPB-UHFFFAOYSA-N 334.489 4.396 0 40 EIAB CC(C)c1nc(COC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)no1 63958315 ISAHFJBNLXQZQM-UHFFFAOYSA-N 341.411 4.329 0 40 EIAB COc1ccc2c(ccn2CCC(=O)Nc2cccc3[nH]ccc23)c1 70666626 GCPRCXISLUXKAE-UHFFFAOYSA-N 333.391 4.160 0 40 EIAB biogenic N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1Cl 72227996 UTRGGMKEXWIVID-ZIAGYGMSSA-N 341.625 4.062 0 40 EIAB Cc1nc([C@H]2CCCN2C(=O)OC(C)(C)C)sc1Br 74941260 JFINFYUCNBCOCQ-SECBINFHSA-N 347.278 4.286 0 40 EIAB CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c(F)c1 96454964 BTRWPTKCUCVTCO-INIZCTEOSA-N 346.406 4.095 0 40 EIAB CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(COC)o1)c1cccs1 97095025 SLFAXDGDIICSOL-CABCVRRESA-N 348.468 4.485 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1nc3ccccc3s1)CC2=O 100867287 LNHUDAPGDCHUCR-ROUUACIJSA-N 328.437 4.020 0 40 EIAB COC(=O)c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 216849848 LFJJYRFGZVGHET-UHFFFAOYSA-N 341.190 4.368 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)CCCC2 223058289 DXGZRFYZYZKXBD-HXUWFJFHSA-N 343.492 4.303 0 40 EIAB O=C(NCCOc1ccccc1)c1cc2c(ccc3ccccc32)o1 224019259 ZJVBWRMXKCVPOZ-UHFFFAOYSA-N 331.371 4.395 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 224240135 VEPMGDOHQVNERS-UHFFFAOYSA-N 339.479 4.339 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1ccccc1Cl 224639282 IMDPCCDRYXXSMA-UHFFFAOYSA-N 335.856 4.261 0 40 EIAB O=C(c1cccc(OCc2ccccc2)c1)C(F)(F)Br 382707583 VCUBLFYDHRWGFT-UHFFFAOYSA-N 341.151 4.436 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 251544 DVKHCLFGHVFEMR-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB Cc1ccc(C)c2nc(Cl)c([C@H]3NC(=O)c4ccccc4N3)cc12 421625 DUCKEMVBRGEQAK-GOSISDBHSA-N 337.810 4.359 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Oc2ccc(Br)cc2)cc1C 464665 AFTPWCAERXNCTN-ZDUSSCGKSA-N 349.224 4.439 0 40 EIAB Cc1ccccc1NCc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1 482386 YIAYJZRREXJMTF-UHFFFAOYSA-N 339.435 4.379 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1N1CCCC1 533241 WSUQFINQGNKAHQ-UHFFFAOYSA-N 346.430 4.458 0 40 EIAB Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c(Br)c1 2630696 VZIMFBIWEHEEKZ-UHFFFAOYSA-N 343.224 4.420 0 40 EIAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 2720646 QYUSNYNNNVVMIF-UHFFFAOYSA-N 335.432 4.369 0 40 EIAB Cc1c(C(=O)NCc2ccco2)oc2ccc(Br)cc12 3378263 DRXRCLHQSFRYQP-UHFFFAOYSA-N 334.169 4.027 0 40 EIAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O)c12 3886065 PDFQFLIMQNETAI-UHFFFAOYSA-N 335.388 4.156 0 40 EIAB Cc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)cc1 4071103 OPGDEEWDKHHXTP-UHFFFAOYSA-N 327.424 4.437 0 40 EIAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccncc2)cc1C 4329918 ZCZWKHJCZKPDFU-HXUWFJFHSA-N 346.434 4.137 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 4502076 DEQXYVOWKJDFEH-UHFFFAOYSA-N 347.212 4.050 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2C)o1 4517422 WGQDHISKNQPQAG-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB CC[C@@H](Oc1ccccc1)c1nn2c(-c3ccoc3C)nnc2s1 4939105 GRNLCEBENBSDHQ-CQSZACIVSA-N 340.408 4.284 0 40 EIAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 5748450 AIYIRMPXLZCNMR-CYBMUJFWSA-N 345.826 4.189 0 40 EIAB Cc1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 5815820 XCOKWQNMHNCHLH-HNNXBMFYSA-N 346.839 4.090 0 40 EIAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 7385893 WWCZZUCBFHITNR-TUAOUCFPSA-N 329.271 4.298 0 40 EIAB COc1ccc([C@@H]2CCCN2c2ncnc3sccc23)c(OC)c1 7470313 RCGHFNGLJHTEFE-HNNXBMFYSA-N 341.436 4.050 0 40 EIAB O=C(O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 7603933 CEDFYEVUKURFJC-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB Cc1cccc2sc(NC(=O)COc3cccc(Cl)c3)nc12 7725174 AZBNXEISGFXAMM-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB COc1ccc(C)cc1NC(=O)CCC(=O)c1cc(C)sc1C 8082468 BNYHEKJNQSMWGS-UHFFFAOYSA-N 331.437 4.284 0 40 EIAB CC[C@@H](C)NCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 8325964 KYAZAVCFDKWATR-CYBMUJFWSA-N 334.847 4.211 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(C(C)=O)c1 9141692 SWEYIDHFYOLSMQ-UHFFFAOYSA-N 338.190 4.457 0 40 EIAB O=C(Cc1cn(Cc2ccccc2)c2ccccc12)NC1CCCC1 9523463 HVWSUNRYRITQTP-UHFFFAOYSA-N 332.447 4.291 0 40 EIAB Cc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 12170258 NGLDSLCGXAOBKG-OKZBNKHCSA-N 333.516 4.010 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 12775238 MFIKZJSFLIJVHU-SFHVURJKSA-N 336.479 4.472 0 40 EIAB Cc1ccc([C@@H](O)CSc2nnc(C(C)C)n2C2CC2)c(C)c1 12824964 OINYFKVNLFBMOR-INIZCTEOSA-N 331.485 4.179 0 40 EIAB FC(F)(F)c1cc(NC(=S)NCc2ccco2)ccc1Cl 13934145 OYLYRFCNNGFAGR-UHFFFAOYSA-N 334.750 4.438 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccs1 14069329 MJPDRZGJELQGTC-LBPRGKRZSA-N 325.437 4.042 0 40 EIAB Cc1ccccc1N1C(=O)/C(=C\c2cccc3ccccc23)NC1=S 15282464 PVSJSSHTPYFRLP-QGOAFFKASA-N 344.439 4.410 0 40 EIAB Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2C=O)c1 16741263 BLUPOKQJKWQBEC-UHFFFAOYSA-N 336.391 4.040 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2oc1=O 16778174 IVNIEJZMGMKKBV-HNNXBMFYSA-N 339.416 4.004 0 40 EIAB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 22508508 SOUQHXOGRIHXFA-SFHVURJKSA-N 336.479 4.410 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 24688821 MURVIUFZQMUKMH-NSHDSACASA-N 349.839 4.246 0 40 EIAB Cc1cccc(-n2ccnc2SC[C@H](O)c2ccccc2F)c1C 31444987 HGCLATMGTSNYHO-SFHVURJKSA-N 342.439 4.454 0 40 EIAB C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F 32811030 INNRAJWQYLEKFU-LLVKDONJSA-N 331.778 4.380 0 40 EIAB Clc1ccc(-n2nnnc2C2(Nc3ccccc3)CCCC2)cc1 35622229 RQNUQFGIHNGZCN-UHFFFAOYSA-N 339.830 4.197 0 40 EIAB Cn1cc(C(=O)OCc2ccccc2Br)c2ccccc21 35973668 YKGYPEGHCABFQO-UHFFFAOYSA-N 344.208 4.298 0 40 EIAB Cc1ccc(C(=O)N2CCc3c4n(c5ccccc35)C(=O)CC[C@@H]42)cc1 36559116 AUUBUKSCUDJRBW-IBGZPJMESA-N 344.414 4.123 0 40 EIAB biogenic O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccco1 40110727 ZAJPFEBSKGMZGL-UHFFFAOYSA-N 330.359 4.190 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 40145805 UFZGRLFCQREWNS-NSHDSACASA-N 347.440 4.426 0 40 EIAB CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C(=O)O)c2)c1 40449488 AKRCDCFVEFQHFY-UHFFFAOYSA-N 327.380 4.077 0 40 EIAB Brc1cc(Cc2ccccc2)ccc1O[C@H]1CCCNC1 42774407 YPRPXSCGOHXNMX-INIZCTEOSA-N 346.268 4.171 0 40 EIAB Cc1ccc(C(=O)Nc2cccnc2N2CCCC2)cc1-n1cccc1 48252276 BHPWNWDZXTZNJZ-UHFFFAOYSA-N 346.434 4.033 0 40 EIAB CCCn1c(NC(=O)C2(c3ccc(F)cc3)CC2)nc2ccccc21 48277337 UYCGHNQMUYZFRF-UHFFFAOYSA-N 337.398 4.256 0 40 EIAB Cn1ncc2c1CCC[C@@H]2NCc1ccc(-c2cccs2)cc1F 54174697 GZRRWSNWJRHLDS-KRWDZBQOSA-N 341.455 4.455 0 40 EIAB Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 57838042 BWJNUEOMYHBPQY-SFHVURJKSA-N 345.464 4.345 0 40 EIAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cn3)o2)c(C)c1 60380954 GVKMGVZTTAYBRK-UHFFFAOYSA-N 340.354 4.262 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1CNCc1ccccc1 61002711 PYFPBLRCFHXORX-UHFFFAOYSA-N 325.843 4.183 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 65515366 POCHIXFXBFITRB-UHFFFAOYSA-N 346.475 4.112 0 40 EIAB C[C@H](Sc1ccnc2ccccc12)c1nc2ccccc2c(=O)[nH]1 68274589 PGJMNHDFUHLAGY-LBPRGKRZSA-N 333.416 4.325 0 40 EIAB CC[C@H](CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1 69773452 JZAMKFLFXWMKPW-QGZVFWFLSA-N 337.467 4.068 0 40 EIAB C[C@H](c1nc(-c2ccccc2)no1)N1CC=C(c2ccc(O)cc2)CC1 71873501 WULCPTDZWCVKEF-OAHLLOKOSA-N 347.418 4.293 0 40 EIAB Cc1noc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 72049640 QPLCTYRHOBCQAV-MFKMUULPSA-N 347.484 4.082 0 40 EIAB CC[C@@H](C)n1nccc1NC(=O)c1cccc(Oc2nccs2)c1 78172870 HEZCUUVCKVOHDQ-GFCCVEGCSA-N 342.424 4.355 0 40 EIAB COc1c(F)cc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1F 86283650 CCLAOXARHVPEIN-JTQLQIEISA-N 336.338 4.324 0 40 EIAB CCC[C@H](C)N(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 95350093 GTTLBZUHOPHMPO-LBPRGKRZSA-N 332.517 4.163 0 40 EIAB CC(C)OC(=O)NCc1ccc(NCc2csc(C3CC3)n2)cc1 95429222 NIJPUEMGUMTUGM-UHFFFAOYSA-N 345.468 4.267 0 40 EIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccco2)CC3)cc1 96047253 RKQIGSYCHSBAGO-UHFFFAOYSA-N 338.495 4.466 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)NCc3sc(C)nc3C)c2)o1 96434782 XYYYBMMJWQPVEG-UHFFFAOYSA-N 342.424 4.045 0 40 EIAB CCOc1cccc(NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 97103624 CHTRJWDBFBRMFW-UHFFFAOYSA-N 338.367 4.088 0 40 EIAB O=C1C(CN2CCCCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 104269467 NLPPWDBRADHGEK-FQEVSTJZSA-N 348.446 4.073 0 40 EIAB Cc1cc(OCC(=O)NCCSc2ccccc2)cc(C)c1Cl 218917489 HTQSROZCUVURBI-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1)CC(C)(C)O2 219489527 UMHHVOCKBHNIJK-YJBOKZPZSA-N 339.435 4.181 0 40 EIAB Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 219854559 LEBMDBOXXVZWGN-UHFFFAOYSA-N 330.378 4.128 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(OC)c(C)c1 223049169 YBVYZFADEUCKAM-KDOFPFPSSA-N 345.414 4.178 0 40 EIAB CSc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 224058135 XYJFJZBBRAKZLK-UHFFFAOYSA-N 343.839 4.500 0 40 EIAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COCC(C)C 224449584 AWZMVLULMLSWCG-UHFFFAOYSA-N 349.377 4.398 0 40 EIAB COc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1Cl 225122630 JYLRGCVFMWCPSB-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1cccc(CSCCCNC(=S)Nc2ncccc2C)c1 225605137 WPOMBNDHXQXNPO-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB Cc1ccnc(NC(=S)NCCCSCc2ccccc2F)c1 225613730 PMEWFCOEMLYLMD-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB Cc1ccccc1-n1c(SCCC[Si](C)(C)C)nc(O)cc1=O 225816934 ZJAZHZHEGLPDFP-UHFFFAOYSA-N 348.544 4.067 0 40 EIAB O[C@H]1CCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 248004276 SETGIDMDBVUFBQ-LRSLUSHPSA-N 339.454 4.345 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](Cc3ccc4cnccc4c3)CC2)no1 257264924 LWOBQAVSWLEVRU-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3OC)N21 260788359 ZDYPNXGLYOKFAH-BVGQSLNGSA-N 339.464 4.070 0 40 EIAB Cc1nc(C)c(C(=O)N(c2cnc3ccccc3c2)C(C)C)s1 279671701 JSOLEHKSWKWRGU-UHFFFAOYSA-N 325.437 4.363 0 40 EIAB CC[C@@H](C)N1CCC[C@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 585100667 SEHFUANSXMCKPL-NQIIRXRSSA-N 328.500 4.141 0 40 EIAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 238977 HHGCKHHCZAOPSU-PZJWPPBQSA-N 345.377 4.463 0 40 EIAB Cc1ccc2cc3c(N)c(C(=O)NCc4ccccc4)sc3nc2c1 422323 QUTDWYXKAMAWCC-UHFFFAOYSA-N 347.443 4.270 0 40 EIAB CCOc1cc(C(=O)Nc2ccccc2)cc(OCC)c1OCC 483255 NOMVGVWSWFCMSD-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB Cc1cccc(C)c1N(Cc1c(F)cccc1Cl)S(C)(=O)=O 582917 LAZIVHVEPXAORS-UHFFFAOYSA-N 341.835 4.062 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 1640234 CRKIXLOAYZZBMV-UHFFFAOYSA-N 342.395 4.152 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)/N=c1/[nH]c2ccc(F)cc2s1 1850000 DEKVXXOADUYDOY-FPYGCLRLSA-N 332.787 4.163 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2)cc1 1922271 SVWKPBOKCYTWOC-GFCCVEGCSA-N 331.799 4.086 0 40 EIAB C[C@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 2201709 HDDWOIDWZRVHKS-LBPRGKRZSA-N 349.463 4.391 0 40 EIAB COc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1C 2591887 LFDHYXYYUVRSNF-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB CCN(CC)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 3079514 AAAHSFMQXVUNLS-UHFFFAOYSA-N 344.414 4.487 0 40 EIAB COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1O 3254171 USQWXRQKGXNBTN-FQEVSTJZSA-N 343.386 4.390 0 40 EIAB Cc1ccccc1-n1nc(C)c2c(C(=O)O)cc(-c3cccs3)nc21 3308160 RIIQIHBHXAKSPX-UHFFFAOYSA-N 349.415 4.464 0 40 EIAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccs3)c2n1 3765469 WIAGQFSHMVSQAW-UHFFFAOYSA-N 349.459 4.298 0 40 EIAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1 4622074 RFXMTXKMDABYEE-GZTJUZNOSA-N 338.432 4.409 0 40 EIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 4741596 WLBYIHKXZRQKID-LJQANCHMSA-N 347.418 4.197 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccco1 4909751 IBESICJGPQWAHS-KRWDZBQOSA-N 341.798 4.278 0 40 EIAB COc1cc2nc(NC(=O)/C=C/c3cccs3)sc2cc1OC 5187348 LWILDOWDRPLSBA-AATRIKPKSA-N 346.433 4.027 0 40 EIAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(Cl)cc1 5243984 KRNDLEHWEUFHJB-UHFFFAOYSA-N 343.810 4.026 0 40 EIAB CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256060 LVZRGECVSITJKP-MRXNPFEDSA-N 331.847 4.055 0 40 EIAB CC(C)(C)c1cc(NC(=O)CSc2nc3ccccc3s2)on1 5280590 SPYQLBBLSUPVQV-UHFFFAOYSA-N 347.465 4.313 0 40 EIAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2cccc3ccccc23)c1 5714821 NDQYMUZMRYQDJY-UHFFFAOYSA-N 347.414 4.181 0 40 EIAB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1 6374189 ZHLZDIUUNUHAHP-LBPRGKRZSA-N 331.441 4.237 0 40 EIAB CCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2C)c1C 6566929 LXFWLPOHWHXMGE-UHFFFAOYSA-N 341.480 4.377 0 40 EIAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)cc1 6590431 XPCOUJLTRXOGQH-UHFFFAOYSA-N 346.814 4.227 0 40 EIAB CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(C)o1 6747409 NLVWWVOQMBSTDC-UHFFFAOYSA-N 339.391 4.422 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1sccc1-c1ccccc1 6787278 YADPNJDYECKJEX-UHFFFAOYSA-N 337.400 4.439 0 40 EIAB CCCSc1ncc(Cl)c(C(=O)Oc2cc(C)cc(C)c2)n1 6810526 CGMDAJVEGMGYGA-UHFFFAOYSA-N 336.844 4.468 0 40 EIAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(F)cc1 7612363 TXBFZFYAEZLTMZ-UHFFFAOYSA-N 330.746 4.045 0 40 EIAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(Cl)cc1 7973137 GTPZRDDETFTQFX-UHFFFAOYSA-N 343.858 4.381 0 40 EIAB Cn1c(SCc2nc3ccccc3o2)nnc1-c1ccccc1F 8132713 JTDKXSCIBRGNGK-UHFFFAOYSA-N 340.383 4.055 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)N1c2ccccc2C[C@H]1C 8189378 LWDQCHJUZSWSSA-KGLIPLIRSA-N 349.459 4.088 0 40 EIAB O=C(Cc1c(Cl)cccc1Cl)NCC1(c2ccccc2)CC1 8988634 WIGQAUMSBFKXQC-UHFFFAOYSA-N 334.246 4.384 0 40 EIAB Fc1cccc(-c2nnc3sc(CCCc4ccccc4)nn23)c1 9048507 LLFSKZNUTLPYOS-UHFFFAOYSA-N 338.411 4.167 0 40 EIAB CCCOc1nn(CCC)cc1C(=O)Nc1cccc2ccccc12 9070998 GDDXOAPNRCQOKY-UHFFFAOYSA-N 337.423 4.487 0 40 EIAB O=C(CCc1cccnc1)N[C@@H](c1ccc(F)cc1)c1cccs1 9368895 JAQBLRIDDDGZEW-IBGZPJMESA-N 340.423 4.121 0 40 EIAB Cc1ccc(CCCNC(=O)CSCc2ccc(C)cc2)cc1 10110386 IEAONBGHFQTPJD-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCC2 12620208 PBVBEYNJDZASOQ-CYBMUJFWSA-N 349.459 4.324 0 40 EIAB COc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)C2CC2)cc1 14092911 GRHTVVNOBYGKNY-UHFFFAOYSA-N 349.430 4.484 0 40 EIAB C[C@H](NC(=O)Cc1scnc1-c1cccs1)c1ccccc1 15840249 QMBMNTDPZALJIL-LBPRGKRZSA-N 328.462 4.292 0 40 EIAB O=c1nc(SCc2ccccc2)c2c(n1-c1ccccc1)CCC2 15840394 KJIPQHWVEMBQFD-UHFFFAOYSA-N 334.444 4.014 0 40 EIAB Cc1cc(C)cc(OCCOC(=O)c2cnc(Cl)c(Cl)c2)c1 16695072 IGHKSPNVFBAPTB-UHFFFAOYSA-N 340.206 4.241 0 40 EIAB CC(C)S(=O)(=O)/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl 16955890 SOAVDYJCZWYNRK-ALCCZGGFSA-N 332.463 4.342 0 40 EIAB COc1ccc(C)cc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19133461 YSSZVJUCJGOGQR-KRWDZBQOSA-N 335.451 4.260 0 40 EIAB C[C@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)c1ccccc1 19459184 VUHCTUCOXUNABM-MAUKXSAKSA-N 333.435 4.073 0 40 EIAB CN1CCC[C@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 19799361 ADLFYRFPLWANLJ-HNNXBMFYSA-N 338.480 4.015 0 40 EIAB CCOC(=O)Nc1cccc(OCc2coc(-c3ccccc3)n2)c1 21289297 BRJBHSHGPRTQNO-UHFFFAOYSA-N 338.363 4.489 0 40 EIAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(F)c1 21705291 RVLVNQFVYQTBKT-UHFFFAOYSA-N 337.398 4.248 0 40 EIAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccco1 22197101 SOYSTNLRHXIWDG-UHFFFAOYSA-N 346.180 4.232 0 40 EIAB CN(Cc1ccccc1)C(=O)NCCc1ccc(C(F)(F)F)cc1 26520594 PWPRZNSCMSYZCH-UHFFFAOYSA-N 336.357 4.090 0 40 EIAB C[C@@H](NC(=O)NCCc1cccs1)c1cccc(C(F)(F)F)c1 26523912 LEOJIAHDEONNKR-LLVKDONJSA-N 342.386 4.370 0 40 EIAB Cc1c(C(=O)N(C)Cc2nc3ccccc3[nH]2)oc2c(F)cccc12 29330397 LNOFLFSXMLZJKR-UHFFFAOYSA-N 337.354 4.029 0 40 EIAB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(Oc2ccccc2)c1 29378995 LNNCKMTUNRQKFN-MRXNPFEDSA-N 332.403 4.497 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 30870236 JZOVISGFTOEOSR-MRXNPFEDSA-N 327.424 4.417 0 40 EIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1c[nH]c2ccccc12 32902664 UUSGATOOMZCXEG-FQEVSTJZSA-N 335.451 4.193 0 40 EIAB Cc1c(C(=O)N2C[C@@H](C)Oc3ccccc32)oc2ccc(F)cc12 41155709 MYMJHVQLSTVTJZ-LLVKDONJSA-N 325.339 4.308 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1OC 57560100 SLFIXZOWQJJQHW-UHFFFAOYSA-N 335.787 4.095 0 40 EIAB CCN(CC)C(=S)S[C@H](C)c1nc(-c2cccs2)no1 58714149 SWJAYKOYZGBYSJ-SECBINFHSA-N 327.500 4.219 0 40 EIAB CN(C)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1 63962739 FGGFVHWHYUMNGW-UHFFFAOYSA-N 337.448 4.492 0 40 EIAB Clc1ccc(-c2nnc(Cc3nc(-c4cccs4)no3)o2)cc1 65185556 JLKODJNWBBMWTR-UHFFFAOYSA-N 344.783 4.092 0 40 EIAB C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1C(F)(F)F 66050922 JGHBFLTVJGVMJD-MRVPVSSYSA-N 345.267 4.180 0 40 EIAB Cc1ncsc1C(=O)N[C@@H](c1cccnc1)c1cc2ccccc2o1 69703114 PKZXVHLPUNFFJV-KRWDZBQOSA-N 349.415 4.112 0 40 EIAB Cc1ccccc1-c1cccc(CNC2CCN(C(=O)C3CC3)CC2)c1 71857529 LCUYJANKVKIVHT-UHFFFAOYSA-N 348.490 4.153 0 40 EIAB CC[S@](=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 80344499 RABYKMIQWSNWFQ-XMMPIXPASA-N 345.395 4.260 0 40 EIAB O=C1CCCN1CC[C@@H]1CN(c2nc3ccccc3o2)c2ccccc21 81030167 JAMIGMXXDAIYMG-OAHLLOKOSA-N 347.418 4.076 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 83943893 QFAWQQNGFBZYOO-AQNXPRMDSA-N 336.435 4.098 0 40 EIAB Cc1nn(C)c(C)c1/C=C/C(=O)Oc1cccc(Oc2ccccc2)c1 89505608 AFSSRHSTQBDQHW-OUKQBFOZSA-N 348.402 4.448 0 40 EIAB Fc1cc(Br)cc(OC(Cl)(Cl)Cl)c1F 95215686 XOOZBEAGVIICCD-UHFFFAOYSA-N 326.351 4.434 0 40 EIAB CC[C@@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1cccs1 95412410 GNSPVKUWHYVKSQ-KGLIPLIRSA-N 336.482 4.044 0 40 EIAB Cc1nc(N)sc1-c1ccnc(C2(c3ccccc3)CCCC2)n1 95629760 HJVDZTAIKYJORC-UHFFFAOYSA-N 336.464 4.351 0 40 EIAB CCc1noc(C2CCC(N[C@H]3C[C@H](C)c4ccccc43)CC2)n1 95996912 DXZNTCNRZUVPMM-HKLFFYFNSA-N 325.456 4.496 0 40 EIAB C[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 96484921 IPNDSAQBGIQIQT-GHMZBOCLSA-N 347.352 4.084 0 40 EIAB C[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102133002 GLEPXNKRPNZLGY-OXJKWZBOSA-N 340.439 4.399 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 102375711 IPYLRZNOWBRKOU-LOWDOPEQSA-N 337.261 4.395 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 113968972 INUWNAGIIAJGBL-KUHUBIRLSA-N 329.415 4.423 0 40 EIAB COc1ccc(-c2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)cc1 216612233 VXDKXCSACCURCO-UHFFFAOYSA-N 340.770 4.022 0 40 EIAB Cc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1 222672455 ZBERODIPMDTIEQ-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc2ccccc12 222859347 VGSQLHFHQXWROT-OAQYLSRUSA-N 349.430 4.322 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(OC)c(COC(C)C)c1 224423877 XXNUEOGHBQVWRG-UHFFFAOYSA-N 327.424 4.435 0 40 EIAB S=C(Nc1cccnc1Sc1ccc(Cl)cc1)NC1CC1 225190012 ROJKWXPAKSKXLY-UHFFFAOYSA-N 335.885 4.335 0 40 EIAB COc1ccc(NC(=S)NCCC2=CCCCC2)c2cccnc12 225355974 BFBQPFDHAOLRHX-UHFFFAOYSA-N 341.480 4.420 0 40 EIAB CCOc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225848385 AWQZLECOBZJQCH-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB Nc1ccc(S(=O)(=O)O)cc1Oc1ccccc1C1CCCCC1 255189400 PPTLJVGPXOKPKV-UHFFFAOYSA-N 347.436 4.356 0 40 EIAB Cc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 409144438 KBDTZEFLZGUPAG-MRXNPFEDSA-N 345.851 4.455 0 40 EIAB O=C(CCCC(=O)Oc1ccccc1F)Nc1ccc(Cl)cc1 136081 FKGHPIZXTYPVLT-UHFFFAOYSA-N 335.762 4.194 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2c(C)cccc2C)cc1 516397 MDYMDSWOVMXLOO-UHFFFAOYSA-N 326.440 4.167 0 40 EIAB Cc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 581945 OPKCENXPZGKKQE-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1C 2391370 RQBSWFGLQCUFJE-UHFFFAOYSA-N 344.871 4.221 0 40 EIAB COCCNc1nc(SCc2ccccc2F)nc2ccccc12 2941582 QVWQWNUGXYPDJS-UHFFFAOYSA-N 343.427 4.120 0 40 EIAB Cn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 3295561 JRSWBKAZGSLQMZ-UHFFFAOYSA-N 335.517 4.006 0 40 EIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1 3357178 JLEGDZVVNBCRQH-LJQANCHMSA-N 341.414 4.125 0 40 EIAB CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCC2 4537675 ZXAJNFHXTKNJPV-UHFFFAOYSA-N 343.452 4.013 0 40 EIAB c1ccc2sc(Sc3nc4ccccc4n4cnnc34)nc2c1 4707795 UQSNBCDDQJFQAR-UHFFFAOYSA-N 335.417 4.038 0 40 EIAB Cc1ncc([C@@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 5504232 YAKCYYMMNQBPES-IBGZPJMESA-N 326.827 4.149 0 40 EIAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 5662431 IPTPXVVJLQYJRU-INIZCTEOSA-N 345.508 4.284 0 40 EIAB C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)N1CCc2ccccc21 5939425 XSRARCIZIZJZDP-QGZVFWFLSA-N 349.478 4.067 0 40 EIAB c1ccc(-c2cnnc(SCc3nccc4ccccc34)n2)cc1 6276988 PSPHHICJKIMEGD-UHFFFAOYSA-N 330.416 4.379 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCCCCC1 6639460 PNKONZIDCALVEW-UHFFFAOYSA-N 345.874 4.346 0 40 EIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C 6781186 IMONTRJLAWHYGT-PZENNZQWSA-N 340.463 4.063 0 40 EIAB CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112634 QDFYBHKKEASXAZ-FQEVSTJZSA-N 348.402 4.445 0 40 EIAB CCOC(=O)c1oc2c(c1-c1ccccc1)c(=O)oc1ccccc12 8559940 HSGURHQJYALDJX-UHFFFAOYSA-N 334.327 4.383 0 40 EIAB CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)F)n1 8694192 HPKGAQUYOKOKGI-UHFFFAOYSA-N 349.362 4.110 0 40 EIAB Cc1cc(C)n(C[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 8714388 BSRZCCKLHKRNLW-VIFPVBQESA-N 326.227 4.082 0 40 EIAB CCOc1cccc2cc(C(=O)Nc3nc4c(s3)CCC4)oc12 8960801 QARFQSNTLYNZQJ-UHFFFAOYSA-N 328.393 4.029 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)Nc1nc2ccccc2s1 9975598 LBDWELQEAKRRFP-UHFFFAOYSA-N 349.362 4.219 0 40 EIAB CC(C)Cn1nccc1NC(=O)Cc1c(Cl)cccc1Cl 10030896 NAOTXBJKZWIRDT-UHFFFAOYSA-N 326.227 4.027 0 40 EIAB O=C(NCCCOCc1ccccc1)C1(c2ccc(Cl)cc2)CC1 10102790 IIQORDFWPOCUBY-UHFFFAOYSA-N 343.854 4.095 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccco3)n2)c1C 10892281 YRZIIQCYSUQNAB-UHFFFAOYSA-N 329.425 4.484 0 40 EIAB C[C@H](OC(=O)COc1ccccc1)C(=O)c1ccc2ccccc2c1 11565652 NENIOGICDDZIPR-HNNXBMFYSA-N 334.371 4.033 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCCc1nc2ccccc2[nH]1 11752752 IUSGDLHMFYXZKZ-UHFFFAOYSA-N 343.430 4.008 0 40 EIAB Cc1ccccc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111318 MASCTNMENSNQGX-UHFFFAOYSA-N 337.379 4.085 0 40 EIAB CC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c(F)c1 12557774 ZSERPPXSKXZRLH-UHFFFAOYSA-N 346.833 4.004 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)CCc3ccco3)cc2)cs1 12748904 OVFBJROAYZBJBY-UHFFFAOYSA-N 340.448 4.003 0 40 EIAB CCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1 13125496 STRUXRRMGXYREQ-UHFFFAOYSA-N 341.798 4.151 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1Cl 13935132 XWPPRCDJHORKHE-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 14790069 LWZPEXGGABHISC-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB COc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 15838525 PZNNWSGKTUNBJA-UHFFFAOYSA-N 327.767 4.277 0 40 EIAB CCOC(=O)c1c(NC(=S)N(C)CC)sc2c1[C@H](C)CCC2 19797089 JXAHFGJYINFIAR-SNVBAGLBSA-N 340.514 4.013 0 40 EIAB OCc1cc(Br)ccc1OCc1cccc(Cl)c1 20298004 YWLFHFIFPRCGFZ-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB CCOc1ccc(OCC)c(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c1 25734489 NWZPXSVJZIZUIE-YPMHNXCESA-N 346.452 4.202 0 40 EIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cl)cn1 26859279 OEOUSQLSBRSUJR-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27581844 CNEIYAIJHDHFMF-OAQYLSRUSA-N 336.479 4.260 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2ccc(C)n2)cc1 28219738 FRWSJBICTCSECD-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB Cc1cc(S[C@@H](C(=O)NC(C)C)c2ccccc2)nc(C(C)C)n1 31654357 VQUNLAYMZJLJAV-QGZVFWFLSA-N 343.496 4.266 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 32656456 OTROWJPKZNZGGX-KDOFPFPSSA-N 328.456 4.124 0 40 EIAB COc1ccc(-c2noc(CNc3ccc(C(F)(F)F)cc3)n2)cc1 32753239 KQUWATINZUWRHV-UHFFFAOYSA-N 349.312 4.376 0 40 EIAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c(C)c1 35622720 MASBTVJSVUYQPP-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1 36394165 GARCNQIMLDEDLE-ZWNOBZJWSA-N 346.805 4.048 0 40 EIAB CSc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 38510787 YVVVBYVDJQZBRJ-UHFFFAOYSA-N 349.459 4.335 0 40 EIAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 38833744 UOUMEQLIVVJURM-INIZCTEOSA-N 328.843 4.191 0 40 EIAB Cc1cc(Br)ccc1NC(=O)N(CC(C)C)C1CC1 43448826 BNGUOAINAUGFBA-UHFFFAOYSA-N 325.250 4.410 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 47946202 MNVVODVVUNQSMD-AWEZNQCLSA-N 341.411 4.180 0 40 EIAB COc1cc(CNC(=O)c2ccsc2)ccc1OC1CCCC1 48281583 LTAIDGBYTXJRDJ-UHFFFAOYSA-N 331.437 4.008 0 40 EIAB CC1=C(C)[C@H](NCc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 57270763 JMXHWXVTZFOEGV-VGOFRKELSA-N 348.490 4.302 0 40 EIAB O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccn1 62017976 MUDAMHUYYZUTEX-UHFFFAOYSA-N 337.467 4.169 0 40 EIAB COC[C@H](C)c1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1 65495885 GTCWJPYXSCSJJM-UONOGXRCSA-N 346.496 4.017 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3ccnc(NC4CC4)c3)cc2)oc1C 65512574 BBZNHJZJGRDCES-UHFFFAOYSA-N 348.406 4.180 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 65720693 BWJWQNCQVPQOEJ-GFCCVEGCSA-N 338.234 4.499 0 40 EIAB CCCCN1Cc2cccc(NC(=O)[C@@H](C)c3c(C)noc3C)c2C1 66513252 FIRGRVFVZQBJGS-ZDUSSCGKSA-N 341.455 4.149 0 40 EIAB O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CCC1 69520280 JVOBPCVLNNZIJD-UHFFFAOYSA-N 345.446 4.015 0 40 EIAB Cc1ccc([C@H](NC(=O)Nc2nnc(C3CC3)s2)C(C)(C)C)o1 72284974 HDYODOHIVRNISQ-LBPRGKRZSA-N 334.445 4.226 0 40 EIAB CSC[C@H](C)N(C)Cc1cccc(CN(C)[C@H](C)CSC)c1 72290428 QTDYXQVFJCIBQA-IYBDPMFKSA-N 340.602 4.053 0 40 EIAB COc1cccnc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 83984311 NQVLHHALDYEYCV-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB C[C@H](c1ccccn1)N(C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)C1CC1 86396431 QYLCXFPIMIRXQI-HHXXYDBFSA-N 335.451 4.120 0 40 EIAB Cc1nc(Cl)cc(N(Cc2cccnc2)Cc2ccccc2C)n1 89689348 MIPOVRVMXDRVRB-UHFFFAOYSA-N 338.842 4.349 0 40 EIAB CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)Nc1nncs1 89919253 XYYRHFUIMGEICX-CQSZACIVSA-N 330.457 4.151 0 40 EIAB Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C)c2ncccc2c1 91792797 VSBZIVWCFRREGE-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC[C@H]2CCO[C@@H]2c2ccccc2)c1 95423198 KDFMCXUBKDVLCS-NYSBEXSLSA-N 338.451 4.073 0 40 EIAB O[C@@H]1CCN(CCCOc2cccc(Cl)c2)Cc2ccccc21 95466724 CYPBDSLQOXMBSM-LJQANCHMSA-N 331.843 4.048 0 40 EIAB COc1ccc2cc(C(=O)CC3(CC(=O)O)CCCC3)ccc2c1 95634429 MJRMFEKQZZISSN-UHFFFAOYSA-N 326.392 4.456 0 40 EIAB C[C@@H](NCC1CCCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297100 GUUJEFBZHLPGDZ-GFCCVEGCSA-N 346.402 4.410 0 40 EIAB biogenic,in-vitro Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c(C)c1 100675792 WIRJNNURCZBGRV-HNNXBMFYSA-N 327.811 4.079 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924012 YTEOUZKSZOTHEC-MTCDDWTCSA-N 346.511 4.164 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(C(C)C)cc1 218962217 BVADBYATKPPPGK-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219042200 RDLHMCQSKIEHFZ-INIZCTEOSA-N 349.430 4.322 0 40 EIAB O=C(CSCc1ccccc1F)NCCSCc1ccccc1 222698907 VPNZSKKVSKKAES-UHFFFAOYSA-N 349.496 4.109 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2cccc(C)c2C)c1 222816176 UHOGLNKYVQQZFR-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 225042618 CNQNQBZNJMGYAU-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB Cc1cccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225084843 BDRQARMJSOASJA-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1CCCCC1 225203542 SVLYVMJOPGCKTH-HXUWFJFHSA-N 329.484 4.419 0 40 EIAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)c(Cl)c1)C1CC1 225674921 SYEONLAFIUNATP-KRWDZBQOSA-N 325.836 4.273 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)[C@@H]3CC=CCC3)CCCC2)s1 225682421 JTWQXJOTPKTTAY-LSDHHAIUSA-N 333.497 4.086 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c(C)n1 225904709 BVGVZLMJUNXTEC-LJQANCHMSA-N 336.476 4.349 0 40 EIAB c1ccc(Cc2cnc([C@H]3CCCN3Cc3cscn3)o2)cc1 257246208 ITBVRUPRPILECO-QGZVFWFLSA-N 325.437 4.059 0 40 EIAB Cc1cccc(CN(C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 585288681 HKNVZTNWRTYMCR-BHDDXSALSA-N 339.479 4.096 0 40 EIAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F 827917535 YQBRWKLIIBRCAG-UHFFFAOYSA-N 347.327 4.286 0 40 EIAB COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC 16978 VOPNWXZDJKCCRE-UHFFFAOYSA-N 333.750 4.183 0 40 EIAB in-vitro Cc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)c(C)c1 425776 SUIPREMTAPVBTQ-UHFFFAOYSA-N 329.469 4.221 0 40 EIAB CC(=O)c1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 426617 RRFKKYPQIWITSK-AWEZNQCLSA-N 340.423 4.281 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CCCCCC1)c1ccccc1 509477 XGHYDCSWFOLCJQ-UHFFFAOYSA-N 336.435 4.392 0 40 EIAB CCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 560784 UHPRXEIILXQAAR-HUUCEWRRSA-N 326.440 4.024 0 40 EIAB CCc1ccccc1NC(=O)COc1ccc(Br)c(C)c1 577727 CJCVOIIFUZVQKL-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB CC(=O)c1cc(C[C@@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 1855507 XWTNIBVQFQJNHH-HXUWFJFHSA-N 344.454 4.464 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CCCC2 3115823 MJSOSTXVSAGGKJ-UHFFFAOYSA-N 338.432 4.193 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1ccc(OC)c(OC)c1 3326546 MSHPAHVJXONFKW-UHFFFAOYSA-N 327.424 4.146 0 40 EIAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccccc2)cc1 3344588 WIMKYYHROHOZHS-UHFFFAOYSA-N 336.460 4.286 0 40 EIAB CCN(CCOC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccccc1 3352302 TYVMTFLZLJUYMQ-UHFFFAOYSA-N 343.854 4.441 0 40 EIAB CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 3482842 VLAGSQKHLOLYLW-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB Cc1cc2cc(CNC(=O)Cc3cccc4ccccc34)ccc2[nH]1 4138106 WPELLEBIAOWNNP-UHFFFAOYSA-N 328.415 4.488 0 40 EIAB Clc1ccc(Cc2nnc3sc(/C=C/c4ccco4)nn23)cc1 5032322 CQBZGZWYRREERZ-BQYQJAHWSA-N 342.811 4.193 0 40 EIAB O=C1OCC[C@@H]1Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255716 CLZLXFFLRNGPFS-NSHDSACASA-N 348.474 4.274 0 40 EIAB CSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 5575567 FQOZCAPZIGCSBK-UHFFFAOYSA-N 330.482 4.095 0 40 EIAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(Cl)cc1 5827135 YSZOISBSRWWBOB-LLVKDONJSA-N 345.855 4.346 0 40 EIAB Cc1noc(C)c1CSCC(=O)Nc1nc2c(C)cccc2s1 6561090 SGJNAYPIKGVFIR-UHFFFAOYSA-N 347.465 4.081 0 40 EIAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccnc1 6609505 KRIOZPWAWVNIOC-UHFFFAOYSA-N 333.222 4.401 0 40 EIAB O=C(CSc1nc2ccccc2s1)NCc1cccc(Cl)c1 6628251 WOIFIHXRTOBHKD-UHFFFAOYSA-N 348.880 4.358 0 40 EIAB CCCN1CCCc2cc(CCNC(=O)c3cccc(C)c3)ccc21 11612974 CDGATSJVBRAIIX-UHFFFAOYSA-N 336.479 4.130 0 40 EIAB CCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1 12411975 PGNZDEAEKMGTOL-UHFFFAOYSA-N 325.799 4.445 0 40 EIAB Cc1cc(C)cc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 12534259 XHEWXTPVQRKGIL-GFCCVEGCSA-N 327.453 4.391 0 40 EIAB COc1ccc(-c2cc(CC(=O)Nc3cccc(C)c3C)no2)cc1 12866933 OJAVBCQAGGSYDY-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1F 13108234 RCXGQDPHZKTBKW-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB CNCc1ccc(-c2ccc(Br)cc2Br)o1 13730671 WXSAGEDFSHMUCM-UHFFFAOYSA-N 345.034 4.191 0 40 EIAB COc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 15825336 KELUMBAXVYZXKH-UHFFFAOYSA-N 345.468 4.128 0 40 EIAB CCCNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881104 LBJRBSVZFMAIDY-UHFFFAOYSA-N 339.435 4.119 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20484365 OTQUCYSMNWBQBJ-ZIAGYGMSSA-N 347.842 4.383 0 40 EIAB CC[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1 24798504 FAZZZGUSVXGHLS-CQSZACIVSA-N 346.858 4.204 0 40 EIAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1cc(C)cc(C)c1 24977390 DSGZVISJSJPVCN-UHFFFAOYSA-N 325.408 4.222 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(OCc2cscn2)c1 26981258 YKRJVHMJJDFKQH-SUMWQHHRSA-N 330.453 4.031 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1 28225053 NUJOQQKTNRXDDY-UHFFFAOYSA-N 343.814 4.355 0 40 EIAB CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1OC 32115528 PRIZXVWVJLBWRV-UHFFFAOYSA-N 340.423 4.385 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)OCc2nc3ccccc3o2)c1 32553813 DAVBGBVMJLKDDX-UHFFFAOYSA-N 339.391 4.382 0 40 EIAB COc1ccccc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C 32716499 NFOKFIOIVUPCCM-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB CCn1c(C)nnc1SCc1nc(-c2ccc(C)cc2)oc1C 33130639 CDAQBLVHVQXEBZ-UHFFFAOYSA-N 328.441 4.171 0 40 EIAB O=C(Nc1cccc(Br)c1)c1cc(-c2ccccc2)no1 33145280 UMQXEFFBRWABKS-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB Cc1cccc(C[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)O)c1 35141761 DDKGFWOFCUDATO-HNNXBMFYSA-N 345.826 4.229 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(Cl)ccc1F 36394519 XYPNGSFGELVFIZ-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB CN1CCN(C(=O)Nc2cccc3c2CCCC3)[C@H](c2ccccc2)C1 58077655 DTUMMFCGCBHJHQ-NRFANRHFSA-N 349.478 4.086 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)c3sc(C)nc3C)c2)cs1 69381924 QJOIJRFHQMCDCK-SECBINFHSA-N 346.481 4.011 0 40 EIAB O=C(C[C@H]1OCCc2ccsc21)N1CCC[C@H]1c1ccsc1 69564721 WBKFQBCPHUVFED-LSDHHAIUSA-N 333.478 4.177 0 40 EIAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 75132227 OJYQASKZFDIQKE-QGZVFWFLSA-N 336.439 4.029 0 40 EIAB CC[C@H](C)[C@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 84721593 NPDPGKLGWITRKF-HKUYNNGSSA-N 331.500 4.265 0 40 EIAB O=C(NCC[C@H](O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 85436547 QKGBZTQEQXWPGP-HNNXBMFYSA-N 339.222 4.239 0 40 EIAB O=C(c1cccn1Cc1ccccc1)N1CC[C@H](c2ccccc2)C1 89841083 BCGOZWFNOZROJS-FQEVSTJZSA-N 330.431 4.166 0 40 EIAB CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1-c1noc(C)n1 95414642 SKHUGRJAWXSTIP-QGZVFWFLSA-N 343.427 4.111 0 40 EIAB C[C@](O)(CN[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 95467443 DTQBCYIHDQFTNM-SFTDATJTSA-N 343.417 4.398 0 40 EIAB COCCn1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 95479624 VNWFZFVARFCISU-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB O=C(CCc1ccsc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 96409376 SIGYKGKBFSAFPA-UHFFFAOYSA-N 345.308 4.024 0 40 EIAB CCCc1noc([C@@H](C)Nc2ccc(OC3CCOCC3)c(C)c2)n1 96415089 JYIYKSRGYMODHC-CQSZACIVSA-N 345.443 4.061 0 40 EIAB FC(F)(F)c1cccnc1NCc1ccc(OC2CCCC2)nc1 97476647 FJTFLCBVMNRJGF-UHFFFAOYSA-N 337.345 4.429 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1cc(C)cc(C)c1)C2 100424187 HYXLCWWKHCMDDF-RTBURBONSA-N 345.556 4.385 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1 113970026 JIFBRXSOZUBDRG-LJQANCHMSA-N 327.424 4.498 0 40 EIAB CSCc1ccccc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)C 184746371 ZAVGSYCWDZQNPL-PBHICJAKSA-N 336.501 4.122 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C)cc1 224983472 HXIMCRGGODAFQM-UHFFFAOYSA-N 341.885 4.195 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(Cl)cc1 225580589 SQWRVABDZDBXQB-MRXNPFEDSA-N 339.936 4.281 0 40 EIAB Cc1cc(C(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)c(C)o1 225680657 LXIKUWADJNHYOV-ZDUSSCGKSA-N 347.480 4.253 0 40 EIAB CCOc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1C 225713012 OHPJLDQKIULWRC-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB O=C(CSC1CCCC1)NCc1cccnc1-c1cccs1 225761057 VXMJIJBFXPEBIT-UHFFFAOYSA-N 332.494 4.102 0 40 EIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccs2)S1 408815276 PWEKEEURIVKNEV-UHFFFAOYSA-N 335.861 4.473 0 40 EIAB COc1ccc(N(C)C(=O)Nc2ccc3sc(C)nc3c2)cc1 408981067 YSLLDIYIMHKZIC-UHFFFAOYSA-N 327.409 4.282 0 40 EIAB Cc1cc(Cl)ccc1C1=CCN(c2cnnc(O)c2Cl)CC1 528197917 KJGYXAVSRAHCMA-UHFFFAOYSA-N 336.222 4.091 0 40 EIAB O=C(CCc1ccc(F)c(Cl)c1)NCc1cncc(C2CC2)c1 575606825 UIWRVZPESPLNLC-UHFFFAOYSA-N 332.806 4.001 0 40 EIAB CC(=O)[C@@H]1C[C@H](c2nc(-c3ccc(NC(C)(C)C)cn3)no2)C1(C)C 585084248 RFPLICRFVVLHIQ-UONOGXRCSA-N 342.443 4.061 0 40 EIAB O=Cc1cncc(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1 1625530293 GRQGLGZLJPEUAV-HXUWFJFHSA-N 330.387 4.025 0 40 EIAB Cc1cnc(Nc2cccc([C@H]3CCCN(CC(C)C)C3)n2)s1 2037834786 OEZOQYPIKWBBNT-HNNXBMFYSA-N 330.501 4.426 0 40 EIAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C)c1C 78761 LGTRSVANTKPBGK-UHFFFAOYSA-N 337.828 4.447 0 40 EIAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1F 361366 LXQWITCKYAAYFB-UHFFFAOYSA-N 343.210 4.259 0 40 EIAB Clc1cccc(CNc2ncnc3c2cnn3-c2ccccc2)c1 535872 GCIPYEUVGUOZRQ-UHFFFAOYSA-N 335.798 4.081 0 40 EIAB CCN(CC)CCCCCNc1cc(OC(C)=O)cc2cccnc12 1653210 XSLOOOHLFGJVKW-UHFFFAOYSA-N 343.471 4.084 0 40 EIAB COc1ccc(NC(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1OC 3096369 GCVKTEFZRXHZMQ-GFCCVEGCSA-N 344.386 4.216 0 40 EIAB CCOc1ccc2c(=O)c(-c3ccccn3)c(C(F)(F)F)oc2c1 3205483 KGGNKMQNVLJJOK-UHFFFAOYSA-N 335.281 4.273 0 40 EIAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 4286620 JQFWWSVYMLWEPO-OAHLLOKOSA-N 349.430 4.478 0 40 EIAB CC(NC(=O)NCc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 4452621 DYGKHQIMTMEMBJ-UHFFFAOYSA-N 348.674 4.023 0 40 EIAB Cc1nc2ccccc2n1CCC(=O)Nc1cccc(C(F)(F)F)c1 5208894 LZNHVGKCXRJXTM-UHFFFAOYSA-N 347.340 4.392 0 40 EIAB COC(=O)c1ccc(-c2ccc(CNCc3cccs3)o2)cc1 7538937 FVWCMFSTVFFTFR-UHFFFAOYSA-N 327.405 4.085 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Oc1ccc(-c2nnco2)cc1 7779863 RABJZPLIGOMNOH-JXMROGBWSA-N 326.739 4.009 0 40 EIAB CCCCc1nnc(SCCCOc2ccc(C=O)cc2)n1CC 8731776 CGEGKAYLAOUADL-UHFFFAOYSA-N 347.484 4.014 0 40 EIAB O=C(CNCc1ccco1)Nc1ccccc1Sc1ccccc1 9512910 GBZIYVIFLJGTKW-UHFFFAOYSA-N 338.432 4.159 0 40 EIAB COc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 9954406 CTCPTOMVQAUVQJ-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccn1 10691650 BACAVXXFUTUQAN-SFHVURJKSA-N 341.414 4.125 0 40 EIAB O=C(Nc1cccc(Cl)c1)N[C@H](Cc1ncc[nH]1)c1ccccc1 11009102 DGRVTWXQVREJEI-MRXNPFEDSA-N 340.814 4.169 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1cccs1 14069334 HZOZWFGOTOTLBH-LLVKDONJSA-N 345.855 4.387 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 14109353 YXFLVBFGLWQYFI-CXAGYDPISA-N 345.439 4.255 0 40 EIAB Cc1ccsc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 14910392 IYYUSKHUBQZMOD-UHFFFAOYSA-N 325.437 4.385 0 40 EIAB O=C1CS[C@@H](c2cccc(Br)c2)N1C1CCCCC1 19927451 HZKBQWJUJRBRJK-HNNXBMFYSA-N 340.286 4.356 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20108681 HZWYYDVLVMUZCY-CVEARBPZSA-N 349.430 4.493 0 40 EIAB O=C(CCC(=O)N1CCc2sccc2C1)c1ccc(Cl)s1 21629104 NEHUJMBVHSHANJ-UHFFFAOYSA-N 339.869 4.011 0 40 EIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Cl)ccc1F 22739455 YWVJFUDKVJAKOM-UHFFFAOYSA-N 347.802 4.174 0 40 EIAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc2c(c1)CCO2 27128675 PJWMHBXAQDDMNV-FPYGCLRLSA-N 344.208 4.036 0 40 EIAB CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccccc2)C(C)C)n1 27632000 OSUASSCYIMYOTF-ZDUSSCGKSA-N 349.887 4.022 0 40 EIAB COc1ccc(CN(C(=O)c2ccc(C)cc2)c2ccccn2)cc1 27662322 OYESDZMIQBKZKP-UHFFFAOYSA-N 332.403 4.246 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@H](c2ccccc2)C1 27898556 XFHNNONLDUXODF-NRFANRHFSA-N 348.446 4.091 0 40 EIAB Cc1ccc(C(=O)C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 30477347 SNDPBOGCQYXVSR-GFCCVEGCSA-N 335.325 4.074 0 40 EIAB Cc1ccc(-c2ccc(O[C@@H](C)C(=O)NCC(F)(F)F)cc2)cc1 32638444 ZMDINMMZTDVWHA-ZDUSSCGKSA-N 337.341 4.108 0 40 EIAB Cn1cc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c2ccccc21 35446660 ZCIHASZCIPPOCT-HNNXBMFYSA-N 330.435 4.044 0 40 EIAB biogenic,in-vitro CCOc1ncccc1CNC(=O)Nc1ccc(Cl)cc1Cl 40096585 WUPQGSITBHSKAG-UHFFFAOYSA-N 340.210 4.109 0 40 EIAB O=S(=O)(Cc1ccc(F)cc1Cl)C12CC3CC(CC(C3)C1)C2 40152180 AAKPMMXTZDYSPA-UHFFFAOYSA-N 342.863 4.363 0 40 EIAB COc1ccc2oc(C)c(C(=O)NCc3ccccc3Cl)c2c1 41156386 HHSPUNILTFCNNV-UHFFFAOYSA-N 329.783 4.333 0 40 EIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 52410991 UREOYZADSWTQMM-UHFFFAOYSA-N 336.391 4.167 0 40 EIAB COc1ccccc1NCC(=O)N1CC[C@H](C)Sc2ccccc21 55530862 LUKSLNBRLLQXCD-AWEZNQCLSA-N 342.464 4.025 0 40 EIAB O=C(Nc1ccccc1Sc1nncs1)[C@H]1C[C@H]1c1ccco1 69566789 LXOZGHUUDWWWJU-MNOVXSKESA-N 343.433 4.025 0 40 EIAB O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCCc2ncccc21 69812125 BPEXBMPHSZEKKH-CQSZACIVSA-N 334.341 4.097 0 40 EIAB Oc1cccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c1 69869574 AFPBXHWVZHTJCS-UHFFFAOYSA-N 343.430 4.080 0 40 EIAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1c(F)cccc1Cl 70636001 VQDBBXVQJLLTPO-QGZVFWFLSA-N 343.785 4.096 0 40 EIAB CSCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 71916620 FGMVJIKFSFKJOG-OAHLLOKOSA-N 344.480 4.492 0 40 EIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72214569 XPRKLTXVDSIIHT-UHFFFAOYSA-N 331.460 4.452 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 72227810 AGYZTFYEWNPKAI-UONOGXRCSA-N 341.625 4.062 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 78458613 OISAKOYCRXOBGT-KUHUBIRLSA-N 329.415 4.423 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Nc2ccccc2)C1 79112714 YNNOSMOXHOBFKK-QGZVFWFLSA-N 348.368 4.422 0 40 EIAB CC(C)N1CC[C@@H](Nc2nc(-c3cccs3)nc3ccccc23)C1 95377632 IEOBRRPCNMSPQH-CQSZACIVSA-N 338.480 4.253 0 40 EIAB CCSc1ccccc1[C@H](C)NCc1cccc(C(=O)NC)c1 95420971 MKHBVRYRUMBZIG-AWEZNQCLSA-N 328.481 4.009 0 40 EIAB C[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cccs1 95421441 IMSZCBLTYWPKHJ-CQSZACIVSA-N 337.448 4.246 0 40 EIAB Cc1ccccc1CN1CCC(c2nnc(-c3ccsc3)o2)CC1 96024380 SNMYMMQBCXLXAN-UHFFFAOYSA-N 339.464 4.486 0 40 EIAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1ncc(-c2ccccc2)o1 96437055 JHCDQLYIWIYRFK-AWEZNQCLSA-N 347.418 4.424 0 40 EIAB CSc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1F 96461740 ZDIIQLNZMZFNPV-ZDUSSCGKSA-N 334.420 4.030 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cc(C)oc2C)o1 97161850 HKUNMSQQWAECSU-SUMWQHHRSA-N 346.427 4.244 0 40 EIAB COc1ccccc1[C@@H]1C=C(c2ccc(C(C)C)cc2)Nc2ncnn21 102048088 JQINNKKENWCCSP-IBGZPJMESA-N 346.434 4.466 0 40 EIAB O=C(c1cscn1)N1CCc2sccc2[C@H]1c1cccs1 102981005 WBBUZYOYFYSZHD-AWEZNQCLSA-N 332.475 4.054 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccccc1Cl 107323716 HTSGLJDFMSEAQY-HBUWYVDXSA-N 334.891 4.028 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1 113950494 BYSHRAAEACSPPX-INIZCTEOSA-N 338.234 4.467 0 40 EIAB COc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 152087832 FOCOXHIWEOIILC-OAHLLOKOSA-N 326.396 4.119 0 40 EIAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1c(F)cccc1Cl 215154356 KCTBZVZBMKJXCH-RIYZIHGNSA-N 348.786 4.111 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1ccccc1 222628053 SMSSAIDTLCVSOO-MRXNPFEDSA-N 326.396 4.119 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)s1 222948784 VPBMZDWQHQBXBY-CVEARBPZSA-N 331.510 4.224 0 40 EIAB CNC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224212862 VOWDXCWURKIDJK-UHFFFAOYSA-N 347.414 4.301 0 40 EIAB O=C(O)[C@H](Cc1cccc(Br)c1)Sc1ccccc1 225064366 QTKWEVOWLBCENY-AWEZNQCLSA-N 337.238 4.237 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)NCCSC1CCCC1 225180583 OUMJPTOWULTCHF-UHFFFAOYSA-N 341.904 4.291 0 40 EIAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(F)(F)F 225792272 APMKDJFKXLOHAI-INIZCTEOSA-N 347.377 4.494 0 40 EIAB Cc1cc(C)c2c(c1)nnn2C(=O)CSc1ccc(Cl)cc1 226359683 IVVBRFUKGDGDNI-UHFFFAOYSA-N 331.828 4.134 0 40 EIAB COc1cc(C(=O)C(Cl)(Cl)Cl)ccc1Br 308823508 QMVFRJNQAPWJHT-UHFFFAOYSA-N 332.408 4.011 0 40 EIAB CCn1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c2ccccc21 409133256 NHFXXLMGGHRWLN-SXGWCWSVSA-N 328.437 4.354 0 40 EIAB CC[C@H](Cc1ccccc1)N(C)c1nn2c(C)nnc2c2ccccc12 557589783 XBFNAYPFVYRXFV-QGZVFWFLSA-N 345.450 4.043 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1Cl 585147968 KVKUPCYLZKNRAW-QGZVFWFLSA-N 341.794 4.063 0 40 EIAB O=C(CCc1ccccc1F)NCc1cc(-c2ccco2)cs1 1775969019 SUHLPHAZPHJQQI-UHFFFAOYSA-N 329.396 4.396 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 53052 QWQABDQXMSDRSZ-YPMHNXCESA-N 342.222 4.003 0 40 EIAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 298878 JJDSUPROAPQFLB-ROUUACIJSA-N 337.375 4.084 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccccc3F)o2)c1 415492 IUWZVNVQAFSBAZ-UHFFFAOYSA-N 342.395 4.468 0 40 EIAB Cc1cccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)c1 547782 OWBLTDOJKNCVKG-UHFFFAOYSA-N 326.399 4.285 0 40 EIAB Cc1cc2cc3c(cc2nc1SCC(=O)NC(C)(C)C)CCC3 1339934 CZPUDECUYAMXNU-UHFFFAOYSA-N 328.481 4.039 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)OCCCc2ccc3c(c2)OCO3)C1(C)C 1747016 FEFQVHMYNXMPCL-MAUKXSAKSA-N 330.424 4.130 0 40 EIAB CCCSc1nnc(NC(=O)c2cccc3ccccc23)s1 2268618 MEHHVDMYANFBET-UHFFFAOYSA-N 329.450 4.446 0 40 EIAB O=C(c1cc(F)c(F)c(F)c1F)N(c1ccccn1)c1ccccn1 2626631 YHSCYRILKMRBNR-UHFFFAOYSA-N 347.271 4.012 0 40 EIAB CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1 2658045 HSLAECVGQBWLSE-UHFFFAOYSA-N 348.424 4.175 0 40 EIAB N=C1c2ccccc2CN1c1ccc(N2Cc3ccccc3C2=N)cc1 3173528 TYLCQPNHELCHTL-UHFFFAOYSA-N 338.414 4.378 0 40 EIAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1 3230357 GHIIANVHNHRYIX-UHFFFAOYSA-N 346.386 4.226 0 40 EIAB aggregator Cc1c(Cl)cccc1NC(=O)CSc1ncnc2ccccc12 3244100 FXXCPJADOXNCGP-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 3334543 UCIBMSAANIUDJP-INIZCTEOSA-N 330.225 4.257 0 40 EIAB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)O)c1=S 3445956 OVLBOIPEWYCAOH-UHFFFAOYSA-N 339.848 4.009 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1cccc(C(C)=O)c1 3561800 UBZFJKLDKLSQLT-UHFFFAOYSA-N 341.407 4.086 0 40 EIAB Cc1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1 4053034 PDEQZKMFUXKNAX-UHFFFAOYSA-N 328.297 4.272 0 40 EIAB O=C(CSc1ccccc1)Nc1nc2c(F)cc(F)cc2s1 4496690 GFIPYQVSNMXMRI-UHFFFAOYSA-N 336.388 4.305 0 40 EIAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 4854195 XDRTUJVASRWYKM-HXUWFJFHSA-N 347.418 4.134 0 40 EIAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 5127314 XNPCCTCBTVUVTN-UHFFFAOYSA-N 347.842 4.038 0 40 EIAB CC(=O)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 5726286 SQPFHERIHOOEQS-UHFFFAOYSA-N 342.223 4.149 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(Br)c(C)n2)c1 5946854 UVFGYZGCNOWDRH-UHFFFAOYSA-N 349.228 4.194 0 40 EIAB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1C1CC1 6115638 WWNVVAGRTIUXOP-UHFFFAOYSA-N 343.477 4.420 0 40 EIAB CNC(=S)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6335516 SDHZVHWYYRONSE-CQSZACIVSA-N 343.883 4.047 0 40 EIAB CCOc1ccc(NC(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 6595783 YVXRWIQJIVOXHJ-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)S[C@H](C)C(=O)N2 6678473 NNCLPCHDRRAINK-JMCQJSRRSA-N 342.251 4.188 0 40 EIAB Fc1ccc(-c2cc(C(F)(F)C(F)(F)F)n3nccc3n2)cc1 6829144 LHKOYVSHTMYSNS-UHFFFAOYSA-N 331.219 4.190 0 40 EIAB O=C(/C=C/c1ccccc1F)Nc1nnc(C2CCCCC2)s1 6884406 DBVDJCQDYPABJX-ZHACJKMWSA-N 331.416 4.377 0 40 EIAB Cc1ccccc1CSc1nccn(-c2cccc(Cl)c2)c1=O 6915314 AQAPXKFMPULUID-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB CCN1C2=C(C(=O)CCC2)C(c2ccccc2C)C2=C1CCCC2=O 6953065 KTZIQOUUXOLNSM-UHFFFAOYSA-N 335.447 4.428 0 40 EIAB Cc1cc(OCC(=O)N2CCc3sccc3[C@@H]2C)ccc1Cl 7829773 WUGZDICJQQYJRT-LBPRGKRZSA-N 335.856 4.235 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cc2ccccc2o1 8237518 ZYPCDTGZOYVPCP-GFCCVEGCSA-N 327.405 4.335 0 40 EIAB CC(=O)Nc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 8389440 LJKMCMROTOJQTM-UHFFFAOYSA-N 347.296 4.399 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 11556402 AHYHWPYIUYQSKZ-UHFFFAOYSA-N 346.430 4.307 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1F 12624298 DXHGFLNLOYKRCI-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB O=C1CCCN1c1ccc(OCc2coc(-c3ccccc3)n2)cc1 12974510 NBQYFULHMZAWDI-UHFFFAOYSA-N 334.375 4.047 0 40 EIAB CCOc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 14256120 YQQHIKNQQAYIAR-UHFFFAOYSA-N 333.453 4.085 0 40 EIAB N=C1O[C@H](c2c[nH]c3ccc(OCc4ccccc4)cc23)C(O)=C1O 17730177 HYTXQSQZJYMUOT-GOSISDBHSA-N 336.347 4.123 0 40 EIAB in-vitro Cc1ccsc1-c1nnc(C2CCN(Cc3ccccc3)CC2)o1 19238729 TWRPZVQVRTUKIB-UHFFFAOYSA-N 339.464 4.486 0 40 EIAB O=C(O)c1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1O 20139503 FUMHAYQRCBATMN-UHFFFAOYSA-N 347.779 4.211 0 40 EIAB CCN1CCc2nc(NC(=O)C3CCC(C(C)(C)C)CC3)sc2C1 21295293 FUQMSYYRMYPCJI-UHFFFAOYSA-N 349.544 4.312 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1 21885490 SUMGKYKIKIZDNZ-UHFFFAOYSA-N 348.402 4.067 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)C(C)(C)Oc1ccc(F)cc1 23224553 QZSJTTMQOVSXGE-UHFFFAOYSA-N 327.399 4.271 0 40 EIAB O=C(CCSc1nc2ccccc2[nH]1)NCc1ccccc1Cl 28904728 KELCOQTZPCWXKN-UHFFFAOYSA-N 345.855 4.015 0 40 EIAB O=C(Nc1ccccn1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 30952711 UCQREEGQHCUJDD-UHFFFAOYSA-N 341.370 4.051 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C 36396274 KEDBRAGCGPOSJY-HLLBOEOZSA-N 328.456 4.121 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccco2)n1 36729001 AWSFQVDQACFRRB-ZDUSSCGKSA-N 326.421 4.165 0 40 EIAB C[C@@H](CNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 40096758 SIEPRURZIJKCAP-QMMMGPOBSA-N 344.283 4.307 0 40 EIAB COc1ccccc1CC(=O)N1Cc2ccccc2-c2ccccc21 40145844 RSFLEYZLSRHOSW-UHFFFAOYSA-N 329.399 4.452 0 40 EIAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1 40523230 UDPSKZRJMXIVMM-UHFFFAOYSA-N 341.798 4.351 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 44899739 KWGXRRZWUKZLCR-MRXNPFEDSA-N 341.451 4.292 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1OC 44904872 XFBQZGRBFPLYAI-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB CC1(C)Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc2O1 49306720 BZVTZWWWEQQKKS-UHFFFAOYSA-N 327.355 4.003 0 40 EIAB CCNC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cs1 59271530 PLVZYGTWZOMGPK-UHFFFAOYSA-N 347.292 4.345 0 40 EIAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N(Cc2cccnc2)Cc2ccco2)c1 69652838 HNZXMRABPJUPER-SFTDATJTSA-N 346.430 4.316 0 40 EIAB Cc1nccn1[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 69952239 WZTAJVKQLRIFEB-NRFANRHFSA-N 347.462 4.141 0 40 EIAB CC[C@H](C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1)c1ccccc1 72232245 IYASMZHQYJQLQN-SJORKVTESA-N 341.455 4.093 0 40 EIAB CCc1cc2c(N[C@@H](CC)[C@@H](O)c3ccccc3F)ncnc2s1 72304145 DPUCJKPCUQBSID-HOTGVXAUSA-N 345.443 4.317 0 40 EIAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(c2ccncc2)CC1 72346601 KFBVIDJFOHWVIP-UHFFFAOYSA-N 326.440 4.300 0 40 EIAB CCn1nnc2cc(C(=O)N3CCCC4(CCCCCC4)C3)ccc21 76067104 SGYOYTUXJAKVEC-UHFFFAOYSA-N 340.471 4.028 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccc2c(c1)CCO2 89905094 AXZNNIBOCDKMRL-CJNGLKHVSA-N 342.464 4.291 0 40 EIAB C[C@H](NCCSc1ccccc1F)c1ccc([S@](C)=O)cc1 95422368 FPUVJCGXPANCRG-WHEQGISXSA-N 337.485 4.006 0 40 EIAB C[C@H](CN[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccsc1 95968802 DWMLYWVSPXOKBK-ZIAGYGMSSA-N 330.453 4.159 0 40 EIAB Cc1cccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 96261336 XZBMCNHFOSZEOV-FCHUYYIVSA-N 349.474 4.247 0 40 EIAB C[S@](=O)c1cccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c1 96413415 NMSCTQDTHASPSK-VOIUYBSRSA-N 346.452 4.166 0 40 EIAB CSC[C@H]1CCN(C(=O)Nc2ccccc2SC(F)F)C1 96417931 KYKUNVNRXWNZPR-JTQLQIEISA-N 332.441 4.218 0 40 EIAB Cc1cc(C)cc(Nc2nccc(Nc3ccc(C(=O)O)cc3)n2)c1 96693796 AUTPNIOBVYNBJF-UHFFFAOYSA-N 334.379 4.279 0 40 EIAB CC1(C)C[C@@H](NCc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)O1 97164310 RRUFBGMALPDSQC-OAHLLOKOSA-N 334.847 4.431 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1 223177663 SKSJBZHBFQMULA-MRXNPFEDSA-N 343.492 4.140 0 40 EIAB CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 224705176 BNEZCCIAGJMYKG-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB CCOc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225107812 QLZUIARCHQSEHB-LJQANCHMSA-N 328.408 4.085 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(F)cc2)cc1 225801434 JUGHOEAFXFOLSJ-IBGZPJMESA-N 329.415 4.280 0 40 EIAB O=C(C1CC1)N1CCC[C@H]1c1ncn2cc(-c3cccs3)ccc12 306143789 YMHQFXUBLHXREH-INIZCTEOSA-N 337.448 4.136 0 40 EIAB Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3CC(C)C)cc1 585157936 RFEBWQKTBWEWDC-GOSISDBHSA-N 346.434 4.251 0 40 EIAB COCc1cccc(CNCc2nc(-c3cccs3)oc2C)c1 1560269401 BQOZNKIEQMOHJV-UHFFFAOYSA-N 328.437 4.148 0 40 EIAB Clc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1 91577 IFFLPJMKUHQPBV-UHFFFAOYSA-N 325.586 4.290 0 40 EIAB c1ccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)cc1 426446 HHJQVTKWEVHDAR-UHFFFAOYSA-N 341.418 4.438 0 40 EIAB Cc1cccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1 541704 NYFNEODJTNPUTQ-INIZCTEOSA-N 344.418 4.134 0 40 EIAB O=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)c1ccco1 1317597 QNRSCNLAOVVPTG-UHFFFAOYSA-N 332.311 4.272 0 40 EIAB biogenic CC(C)N[C@H]1C2CCC(CC2)[C@@]1(O)c1ccc(Cl)c(Cl)c1 1693020 MQILJMOEUMZBHK-SEDVZULUSA-N 328.283 4.368 0 40 EIAB in-man CCOC(=O)c1ccccc1C(=O)CCc1cc(F)c(F)c(F)c1 2517845 OCKOTSQPFIRADB-UHFFFAOYSA-N 336.309 4.096 0 40 EIAB COc1cccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 2628345 MZLXSDFGFYAFRS-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCc2ccccc21 2658174 VBGCGMKOMLERRM-UHFFFAOYSA-N 337.448 4.025 0 40 EIAB O=C(Cc1c(F)cccc1Cl)OCc1nc2ccccc2s1 3279774 UEYNXINZLZQOAI-UHFFFAOYSA-N 335.787 4.375 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 3515720 RMLGJHHJFORVMO-CYBMUJFWSA-N 329.371 4.135 0 40 EIAB COc1ccc2oc(C(=O)NCc3ccccc3Cl)c(C)c2c1 3517085 ARKWDHJXRHRFLF-UHFFFAOYSA-N 329.783 4.333 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)c1ccc(OC(C)C)cc1 4487034 RDBRTJBOEOSRHJ-UHFFFAOYSA-N 327.409 4.039 0 40 EIAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4886634 DFOWZBIOZHJFNW-LQDVMPOASA-N 349.931 4.174 0 40 EIAB CCCn1c(NC(=O)Cc2c(F)cccc2Cl)nc2ccccc21 4900536 VSJHKTOZQGLKTC-UHFFFAOYSA-N 345.805 4.420 0 40 EIAB CCN(CC)c1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 5205624 NIMMTQBVSRTMCK-UHFFFAOYSA-N 337.514 4.111 0 40 EIAB COc1ccccc1/C=C1\N=C(c2ccc(C)c(Cl)c2)OC1=O 6478118 HTKIFRJFFMZOLL-GDNBJRDFSA-N 327.767 4.002 0 40 EIAB Cc1cccnc1NC(=S)NCCSc1ccc(Cl)cc1 7368012 QTSFYEPPGMEQBT-UHFFFAOYSA-N 337.901 4.122 0 40 EIAB Cc1cccc(CSCCNC(=O)c2ccc(OC(C)C)cc2)c1 8041064 SBESYPCYJNGZLT-UHFFFAOYSA-N 343.492 4.445 0 40 EIAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 8076090 RFQBIOMALKDONH-UHFFFAOYSA-N 339.370 4.009 0 40 EIAB CC(C)C[C@@H](NC(=O)c1ccco1)c1nc2cccnc2n1C(C)C 12114104 IKASGIYXEDRSOI-OAHLLOKOSA-N 340.427 4.122 0 40 EIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3)ccc2o1 12737267 TVXQZJXLLBXZBZ-SNVBAGLBSA-N 329.787 4.229 0 40 EIAB CSc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 12822187 CDPCBNYUGXLBIQ-UHFFFAOYSA-N 340.452 4.295 0 40 EIAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(C(F)(F)F)cc1Cl 12909337 XTBZBFFRKFVRKZ-UHFFFAOYSA-N 337.725 4.188 0 40 EIAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3Cl)ccc(F)c21 13001093 IZDFONQAWBBHPF-JTQLQIEISA-N 347.773 4.187 0 40 EIAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 13019100 STBKBSVQRHNLBI-SGTLLEGYSA-N 346.833 4.150 0 40 EIAB O=C(/C=C/c1cccc2ccccc12)N[C@H]1CCOc2ccccc21 14780469 NKXOTOPFGWGMQG-SJFMBGHLSA-N 329.399 4.493 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccc(C)nc12 15835282 YRCVNTUVYDPWJB-GOSISDBHSA-N 338.382 4.478 0 40 EIAB CNC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 16016098 TVRQENUAQPOMBY-UHFFFAOYSA-N 346.386 4.091 0 40 EIAB CCCc1cc(=O)[nH]c(SCc2c(Cl)cccc2Cl)n1 18099206 MQKQPISCWZNRIU-UHFFFAOYSA-N 329.252 4.322 0 40 EIAB CC1(NC(=O)C[C@@H](c2ccncc2)c2c[nH]c3ccccc23)CCC1 19461157 XSCPWDGVUPUSBQ-KRWDZBQOSA-N 333.435 4.144 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)Nc1cnn(Cc2ccccc2)c1 28303567 WAPINPBLOPWWFL-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(NC(C)=O)c1 30758276 PUACQDMXSTTXHK-GOSISDBHSA-N 340.423 4.058 0 40 EIAB O=C(CCCc1nnc(-c2ccccc2)o1)NCCC1CCCCC1 32924619 SYIQYAKDKAOEPL-UHFFFAOYSA-N 341.455 4.146 0 40 EIAB Cc1cccc(NC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)c1C 38652358 DMVNTZNCOQXXOL-UHFFFAOYSA-N 341.802 4.071 0 40 EIAB CN(C)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1Cl 40152759 GAVYFHTZXSWFDV-UHFFFAOYSA-N 327.186 4.451 0 40 EIAB C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 45418312 RXILGNXEBOJPBQ-LBPRGKRZSA-N 340.810 4.015 0 40 EIAB COc1ccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)cc1 46914373 JEOUZDAQIJDCMA-UHFFFAOYSA-N 332.363 4.111 0 40 EIAB Cc1cc(CN(C)C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)no1 50573698 WXZCEHLGFPXLMK-UHFFFAOYSA-N 341.238 4.226 0 40 EIAB CCOCCCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 55803885 AHQIEHVFDZWSSM-UHFFFAOYSA-N 340.423 4.003 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1OCC 57573543 BSNPXIXVUSHACD-AWEZNQCLSA-N 334.460 4.177 0 40 EIAB Cc1noc(C)c1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 69348739 OOZUPWGHWSLZIC-KRWDZBQOSA-N 338.411 4.069 0 40 EIAB O=C([C@H]1CC=CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69418586 NCSIIBSYJQAYKE-DLBZAZTESA-N 337.423 4.147 0 40 EIAB COc1ccc2oc([C@@H](C)NC(=O)Nc3c(C)noc3C)c(C)c2c1 71883757 UUDKMESTFPGVAS-LLVKDONJSA-N 343.383 4.237 0 40 EIAB CCC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 71914746 PKZQXXCMJJSJGF-UHFFFAOYSA-N 336.391 4.054 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)N(C)Cc2cccs2)o1 72265306 CIROBUUJVLZTJQ-UHFFFAOYSA-N 343.404 4.414 0 40 EIAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(OC)c(Cl)c1 80345905 KRLBVYNXZUBBSS-HNNXBMFYSA-N 347.842 4.244 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 84028851 PKODJPPMFIXXLY-PZJWPPBQSA-N 328.415 4.343 0 40 EIAB COc1ccc(CNC(=O)Nc2nc3c(C)c(F)ccc3s2)cc1 84040893 WAQOQBIMXCQLJE-UHFFFAOYSA-N 345.399 4.074 0 40 EIAB CC(C)[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 95422715 HAKFTDFJQANIPA-KXBFYZLASA-N 339.439 4.086 0 40 EIAB CC[C@@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2 95968682 CTTJZUJIIWYKNM-HXUWFJFHSA-N 347.462 4.107 0 40 EIAB CC[C@](CNC(=O)NCc1ccc(Cl)cc1)(OC)c1ccccc1 96123827 HBXLDVHUMVNUAI-LJQANCHMSA-N 346.858 4.091 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C 96659488 HPFYMYXIGMWRBU-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB CC(C)(CC1CCOCC1)C(=O)N1CCS[C@@H](c2ccccc2)C1 97015003 RXJIDGVEQRWUDL-GOSISDBHSA-N 347.524 4.146 0 40 EIAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 101277099 MPKMHRBPYIVBGF-AWEZNQCLSA-N 349.217 4.046 0 40 EIAB CC(C)[C@H](C)N1Cc2cccc(NCc3nnsc3Cl)c2C1 195537974 OJURGRXSPDOWKP-NSHDSACASA-N 336.892 4.164 0 40 EIAB COc1ccc(OCCCC(=O)NCc2ccc3ccccc3c2)cc1 222781796 ZSPRMDQKHWTVCB-UHFFFAOYSA-N 349.430 4.324 0 40 EIAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc2c(c1)CCC2 223249556 MYGLHPQPVXFFOC-GFCCVEGCSA-N 331.818 4.388 0 40 EIAB Cc1cccnc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 223982116 UDXFBMZDXVCGSE-UHFFFAOYSA-N 343.471 4.328 0 40 EIAB CCn1cc(C(=O)Nc2ccccc2Cl)c(=O)c2cc(C)ccc21 408713374 VRBLIXPQRVGORH-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB CCCc1sc(NC(C)=O)nc1-c1ccc(Br)cc1 408836534 SFIZNIJZKVAIAN-UHFFFAOYSA-N 339.258 4.484 0 40 EIAB CCc1ncnc(Oc2ccc(-n3ncc4ccccc43)cc2)c1F 542120244 WZYYBUDVPCMIGA-UHFFFAOYSA-N 334.354 4.309 0 40 EIAB C[C@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)c1ccccc1 607761515 GKRUEJHDCUQZLI-JTQLQIEISA-N 345.374 4.113 0 40 EIAB COc1ccc2nccc(C(=O)Nc3cccc(OC(F)F)c3)c2c1 1889264525 NBEYHLRJNTUBRR-UHFFFAOYSA-N 344.317 4.097 0 40 EIAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1 426630 FTTRARDKZPWKFX-JTQLQIEISA-N 334.366 4.356 0 40 EIAB CCOc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1 527634 ZSUYYEWACNYSEY-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CC(C)c1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 819307 BBUMEKADZAVSLC-SFHVURJKSA-N 342.527 4.281 0 40 EIAB Cc1nc(NC(=O)COc2ccc(-c3ccccc3)cc2)sc1C 1916412 FRMFLMUWANSJRL-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB COc1ccccc1C(=O)NCCSCc1ccccc1Cl 2179472 FKPBRRDLEWCMJJ-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB COc1ccccc1Nc1cc(Nc2ccccc2OC)nc(C)n1 3098975 PRTOAZDUIXZQGR-UHFFFAOYSA-N 336.395 4.289 0 40 EIAB COc1ccccc1[C@@H]1N(Cc2ccc(Cl)cc2)C(=O)C1(F)F 3366355 YHFMDOAWUTUHEW-HNNXBMFYSA-N 337.753 4.067 0 40 EIAB COc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 4072145 ZQHGQFIACJOAHB-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2Cl)C(=O)O1 4644402 JPEGVKFHECWWMJ-ZSOIEALJSA-N 348.185 4.347 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)O[C@H]2CC[C@@H](C)[C@H](C)C2)cc1 4654042 UVGFPVDJCRFIPE-RKVPGOIHSA-N 347.455 4.172 0 40 EIAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccccc1 4854210 QBLNIPUQGYRLHC-LJQANCHMSA-N 335.382 4.264 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 5263004 YTFFRAKNIKWDQB-UHFFFAOYSA-N 327.387 4.334 0 40 EIAB O=C(Nc1cc(Br)ccc1F)c1ccc(Cl)cc1 5569530 YUMKXRYUENVFFG-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB O=C1N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 5750150 LJRYXMIJFNSUBY-NTEUORMPSA-N 333.174 4.091 0 40 EIAB Cc1ccc2c(COC(=O)/C=C/c3ccccc3)cc(=O)oc2c1C 6013161 ATZVMSFZMTVQOU-PKNBQFBNSA-N 334.371 4.166 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc12 6667909 ZEENWVIQNBKDIF-WMLDXEAASA-N 347.480 4.096 0 40 EIAB CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nnc1C1CC1 7618658 CTKHESQKETYWHS-NSHDSACASA-N 340.452 4.020 0 40 EIAB O=c1c2ccccc2nc(SCc2nc3ccccc3o2)n1C1CC1 7861372 QNXFMVNMHNQADD-UHFFFAOYSA-N 349.415 4.165 0 40 EIAB FC(F)(F)c1nc(Oc2ccc3c(c2)OCO3)c2ccccc2n1 8325975 WKOAKOYZBDBAQZ-UHFFFAOYSA-N 334.253 4.170 0 40 EIAB Oc1nc(Nc2ccc3ccccc3c2)nnc1Cc1ccccc1 8743275 HOHDLEAPYKSTLX-UHFFFAOYSA-N 328.375 4.065 0 40 EIAB O=C(Nc1ccccc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382277 WTZUDSSSBPCEMR-UHFFFAOYSA-N 343.858 4.080 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)Cc1c(F)cccc1Cl 10541942 RTBQTERUMNDEDB-UHFFFAOYSA-N 333.790 4.010 0 40 EIAB CSc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 10555869 KXZCBSKOQZVQQY-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1F 10916836 MJYVQGQOWVDWRG-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB Cc1ccc(OCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1 11896177 AYMQANIJWWHSAF-PTNGSMBKSA-N 345.445 4.172 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1cc(-c2ccc(Cl)cc2)no1 12111405 DOWWUUQJQIROGS-UHFFFAOYSA-N 346.745 4.152 0 40 EIAB CCCCOc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12441498 RHQGTXTZLYPSRD-HXUWFJFHSA-N 339.435 4.079 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)no1 12900066 JPLPHHCHPFRBGF-UHFFFAOYSA-N 347.436 4.047 0 40 EIAB CCOc1ccc(-c2nc(CSc3nncn3CC)cs2)cc1 12939914 GHOWWAKGROQGFW-UHFFFAOYSA-N 346.481 4.113 0 40 EIAB COc1cc(NC(=S)Nc2ccc(C)cc2)c(OC)cc1Cl 13790456 NWEVAHQLRZNONV-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB CC(=O)c1csc(NC(=O)c2oc3ccc(Cl)cc3c2C)n1 14019924 SWVRTGYOBVHSFH-UHFFFAOYSA-N 334.784 4.306 0 40 EIAB Cc1ccc2cccc(OCC(=O)N[C@H](C)c3ccc(C)c(C)c3)c2n1 14339428 BEVYNXFCBGHRRO-QGZVFWFLSA-N 348.446 4.416 0 40 EIAB Cc1cc(C)c(NC(=O)Cc2cnn(-c3ccccc3)c2)c(Cl)c1 14899276 HUPIXKQJWZCYJV-UHFFFAOYSA-N 339.826 4.324 0 40 EIAB Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1[C@@H](O)CC(C)(C)C2 16740183 XBXWECXLJOXSKX-ZDUSSCGKSA-N 333.815 4.500 0 40 EIAB Cc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1 17051488 AHPPIFRVLSROCV-UHFFFAOYSA-N 349.821 4.173 0 40 EIAB CC(=O)N1CCC[C@@H](NCc2ccc(F)cc2)[C@@H]1c1ccc(C)s1 19217328 YRNDBQNYAACELR-IEBWSBKVSA-N 346.471 4.037 0 40 EIAB Fc1cccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1F 19292732 HTAVIZFGEJCARW-AWEZNQCLSA-N 327.378 4.221 0 40 EIAB c1csc(CNc2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)c1 19343769 ACMBUZZIEUVRPD-INIZCTEOSA-N 338.436 4.064 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cl 20104749 UJKHNDKBHCGJFO-HNNXBMFYSA-N 338.234 4.467 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)CCc1ccccc1 20462419 RAMCTFGHNJZZOK-HNAYVOBHSA-N 329.415 4.121 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(C)c1)NCC2 20506896 WTVGYFTYGISDAS-NRFANRHFSA-N 341.451 4.036 0 40 EIAB biogenic OC1=Nc2n[nH]cc2[C@@H](c2cccc(OC3CCCC3)c2)SC1 20745047 IYIGMVQGYSMSNZ-MRXNPFEDSA-N 329.425 4.155 0 40 EIAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccnn1C(C)C 22292524 WHXXLNNJBKSZFK-UHFFFAOYSA-N 344.802 4.333 0 40 EIAB O=C(NCCOc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 22479940 XWLMBEPYLLIQJC-UHFFFAOYSA-N 335.378 4.302 0 40 EIAB Cc1ccc(C)c(NC(=O)CSCCOc2ccccc2F)c1 23411614 QDNCZEADKVLDTI-UHFFFAOYSA-N 333.428 4.193 0 40 EIAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2cccnc2)c1 24430524 NAUBRSAATMTTRP-UHFFFAOYSA-N 330.387 4.182 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2cccn2)cc1 25135114 VCLBWEOZNWFLGG-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB COc1ccc(Br)cc1CN[C@@H]1CCOc2ccccc21 25356996 WEILFKJMEHAYDB-OAHLLOKOSA-N 348.240 4.071 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccccc2C)c1 26379271 WKZUOJZEVLTDAD-LSDHHAIUSA-N 339.439 4.075 0 40 EIAB Cc1sc(CCNC(=O)c2cccc(F)c2)nc1-c1ccccc1 38639624 BGOAMAAXLUEKPX-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCn1cc(NC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cn1 43645538 MSNIPKPJIKLPFH-GOSISDBHSA-N 342.443 4.061 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 47367823 GDNKQFCKRGTBAQ-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@@H]1c1ccsc1 52803656 CKXDBHNPQDYMHZ-MEDUHNTESA-N 336.407 4.190 0 40 EIAB COc1ccc(Cl)cc1[C@@H](O)c1ccccc1Br 55203407 PFENPNFAXZIZKJ-AWEZNQCLSA-N 327.605 4.193 0 40 EIAB Cc1c(C(=O)NCCN(C)C2CCCCC2)[nH]c2c(Cl)cccc12 57775289 TVGZDHQLBWNDFK-UHFFFAOYSA-N 347.890 4.124 0 40 EIAB CC(C)Oc1ncccc1CNC(=O)c1cc2c(s1)CCCCC2 58415648 DDGVZINYMLCKPS-UHFFFAOYSA-N 344.480 4.129 0 40 EIAB CC(C)N(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 59339588 PQTQPTWKLVFNPV-UHFFFAOYSA-N 338.329 4.078 0 40 EIAB COC(=O)c1ccccc1NC(=O)/C=C/c1cc2ccc(C)cc2o1 67339732 GKPOTCAVACOYEX-MDZDMXLPSA-N 335.359 4.180 0 40 EIAB COc1cccc2c(C)c(C(=O)N3CCC[C@H]3c3cc(C)no3)oc12 69532172 YTDKXSZVPGMSKM-AWEZNQCLSA-N 340.379 4.024 0 40 EIAB Cc1c(C2CC2)n[nH]c1NC(=O)c1cccc(Oc2ccncc2)c1 71903055 SUVHVAHLUXBBQC-UHFFFAOYSA-N 334.379 4.035 0 40 EIAB CCc1nc([C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)no1 72279281 MRBPQSILOBTDTP-JTQLQIEISA-N 346.740 4.041 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2)o1 79139056 IOOPOBCZRDUQRR-UHFFFAOYSA-N 330.387 4.287 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1cc(F)cc(F)c1 84840458 GCVDBUCMAZYPHN-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB C[C@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)O 91695593 HRZHMTUSHFHEDZ-QMMMGPOBSA-N 345.704 4.273 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cccnc1)[C@@H]1CSc2ccccc21 95398481 LLHORLVBIOEIFH-QUCCMNQESA-N 346.455 4.177 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1[C@H](O)C(F)(F)F 95465499 ZMTGXLLIJBTGQB-HNNXBMFYSA-N 343.732 4.117 0 40 EIAB Cc1cc(-c2nnc(CN[C@H](C)[C@H](C)c3ccccc3)o2)c(C)o1 97110004 WLSVMDUXWMXXQJ-UONOGXRCSA-N 325.412 4.228 0 40 EIAB O=C(C(C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(F)(F)F 100187287 IJUITSDEZXHRJN-UHFFFAOYSA-N 342.279 4.082 0 40 EIAB N=C1c2ccccc2CN1CC(=O)c1ccc(-c2ccccc2)cc1 100929288 VACMNOCIUSOJRB-UHFFFAOYSA-N 326.399 4.377 0 40 EIAB C[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1Cl 103963623 WIVJBYVXXYHBGN-CHWSQXEVSA-N 348.899 4.198 0 40 EIAB O=C(/C=C/c1ccco1)N1CCS[C@@H](c2ccccc2F)CC1 219074200 GPVLINXVNMKLPA-IWAYRVGRSA-N 331.412 4.139 0 40 EIAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1 224083411 KRDGGIFGUVSOOE-UHFFFAOYSA-N 339.435 4.337 0 40 EIAB CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(OC)c(C)c1 224190290 QUZCBXGOLYUKPA-QGZVFWFLSA-N 329.465 4.363 0 40 EIAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225319598 JWHWUYQRQZWXPV-IBGZPJMESA-N 341.451 4.212 0 40 EIAB CCCCOc1ncc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C 225913376 MXQSGVNHDYVCEW-LJQANCHMSA-N 334.460 4.103 0 40 EIAB COc1cc(SC)ccc1NC(=O)c1cccc([C@@H]2CCOC2)c1 278380079 SUFRWHXWRIVMKX-OAHLLOKOSA-N 343.448 4.173 0 40 EIAB CCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(C)cc1 408561243 HHSZISWSJMAPJG-VXPUYCOJSA-N 340.448 4.441 0 40 EIAB CC(C)c1nc2ccccc2n1C1CN(c2nc3ccccc3o2)C1 1888976939 AQHPSLIQSBLPEI-UHFFFAOYSA-N 332.407 4.362 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1cccc(N(C)C)c1 1889051533 VBOJHBBGRCJIPK-AWEZNQCLSA-N 338.476 4.328 0 40 EIAB Nc1ccc2nc(CCCc3nc4ccc(N)cc4s3)sc2c1 353987 ZVYVQBFFTJQPLP-UHFFFAOYSA-N 340.477 4.246 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCc3ccccc3F)nnc12 929326 WBAULZQHPJPEKM-KPZWWZAWSA-N 329.444 4.478 0 40 EIAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C1CCC1 1236200 XRGNRQWQFXAVTI-UHFFFAOYSA-N 337.659 4.260 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc3ccc(F)cc3s2)c1C 1311424 FMOJWQCUENEEQU-UHFFFAOYSA-N 330.384 4.070 0 40 EIAB COc1cc(NCCCCCNC(C)C)c2ncccc2c1Cl 1593754 PZTUPXDSJRFMKO-UHFFFAOYSA-N 335.879 4.477 0 40 EIAB C[C@@]1(CCc2ccccc2)N=C(S)N(c2ccc(Cl)cc2)N1 1818610 SRYZLHOQNKMAKS-QGZVFWFLSA-N 331.872 4.299 0 40 EIAB CCCCSc1nc(N)c2c3c(sc2n1)CO[C@H](CCC)C3 2223567 GOGPPZBLGHSABH-SNVBAGLBSA-N 337.514 4.407 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccc(Cl)cc1 3297879 XZYASNILFLJMCM-BJMVGYQFSA-N 344.794 4.308 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)c1 3437971 CWSSDKGPFKJFPI-ZDUSSCGKSA-N 340.448 4.297 0 40 EIAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc2ccccc12 3441355 LAIXGFCLBJRZFE-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3C)cs2)cc1 4570726 GROBWDPAOTUGNO-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(Cl)cn1 5627236 YCFYAWZCKYXWAF-LLVKDONJSA-N 343.839 4.403 0 40 EIAB COc1ccc2oc(C(=O)Nc3cc(C)ccc3OC)c(C)c2c1 5701141 AWZDRHPHMKNYKR-UHFFFAOYSA-N 325.364 4.319 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 6942248 OXPXKBZFVNQYIO-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB O=C(CSC/C=C/c1ccccc1)NCc1cccc(Cl)c1 7150316 OHHXMPYWDJHKEL-WEVVVXLNSA-N 331.868 4.403 0 40 EIAB Cc1nc(SCC(=O)c2cc(C)n(C3CC3)c2C)nc(C)c1C 7253606 VITVKGIOQYDBCF-UHFFFAOYSA-N 329.469 4.130 0 40 EIAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1nc2ccccc2s1 7829671 GXFRREOWQMFXKM-GFCCVEGCSA-N 342.489 4.436 0 40 EIAB COc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 7985176 YHCDUBICOFIDPD-MRXNPFEDSA-N 340.467 4.278 0 40 EIAB CCn1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 8089865 LVAKOSVHLHEWLZ-LENJVWSZSA-N 333.501 4.214 0 40 EIAB COc1ccnc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 8186319 ZSOWRAORUDJESE-QGZVFWFLSA-N 344.418 4.211 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)cc1 8475646 VYQMVYISYLWHMY-UHFFFAOYSA-N 347.418 4.050 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N(C)C)cc1 10328914 KFZLFVZLDIFILM-NRFANRHFSA-N 332.447 4.181 0 40 EIAB COc1ccc2cc(CNC(=O)N[C@@H]3CCCC[C@H]3C)ccc2c1 10370685 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4.347 0 40 EIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 130793 LLJRHYKCRIJNON-JXMROGBWSA-N 343.810 4.152 0 40 EIAB CCc1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 1267956 WQQUMKIHTWMWQC-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB O=C(Oc1ccc(/C=C2/SC(=S)N=C2O)cc1)c1ccccc1 1510208 RDWUBPFAVCEULB-GXDHUFHOSA-N 341.413 4.235 0 40 EIAB O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F 1615821 FLQPSPMYLGCBHM-KBPBESRZSA-N 325.374 4.400 0 40 EIAB O=C(CSc1ccc(Cl)cc1)NCCSc1ccccc1 3104383 JMWZLUIHNHIAEN-UHFFFAOYSA-N 337.897 4.341 0 40 EIAB Cc1sc(NC(=O)c2ccco2)c(CN2CCC(C)CC2)c1C 3329397 OIYGGHWBGSHOEM-UHFFFAOYSA-N 332.469 4.442 0 40 EIAB Cc1cc(Cl)ccc1OCCCC(=O)OCC(F)(F)C(F)F 3411530 KBAALYVFNHWCCN-UHFFFAOYSA-N 342.716 4.251 0 40 EIAB CC1(C)CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 4404522 FVTFMKWTHZZTJA-PMACEKPBSA-N 341.495 4.402 0 40 EIAB CCCNC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 4936311 XBQUOFZTPJOCIU-UHFFFAOYSA-N 343.496 4.296 0 40 EIAB Cc1cc(C(=O)CSc2ccccn2)c(C)n1Cc1ccco1 5225950 FWPYNCZUHIHSHG-UHFFFAOYSA-N 326.421 4.116 0 40 EIAB Cc1cccc(OCC(=O)NCCOc2cccc3ccccc23)c1C 5815595 WXROBFMCIFYSRY-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB COc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 6259125 KPBVSHIILUFQRK-UHFFFAOYSA-N 329.440 4.167 0 40 EIAB O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)C1CCCCC1 6509310 RADMAPMQDHVDHN-UHFFFAOYSA-N 345.386 4.021 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)no1 6553687 RTEBUBAQXXEOKK-UHFFFAOYSA-N 341.348 4.212 0 40 EIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)on1 6578574 MMFHDYOFVMIVQC-UHFFFAOYSA-N 328.290 4.043 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1nonc1-c1cccs1 6670105 HTDCJJSCRKIPGT-BQYQJAHWSA-N 331.784 4.103 0 40 EIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(NC(C)C)n2)cc1 7643796 BVVBOZQCUXBYDP-CYBMUJFWSA-N 331.485 4.088 0 40 EIAB Cc1nc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cs1 7995603 YXMWTSWPMWMJAS-UHFFFAOYSA-N 343.477 4.373 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCCO4)coc2c1 8275542 ZHXWJENTVXOYIE-UHFFFAOYSA-N 337.375 4.084 0 40 EIAB COc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cc1OC 8315779 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CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)C1(C)C 25532795 UHNJKAOUMDDNMZ-VQIMIIECSA-N 340.442 4.430 0 40 EIAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 29473743 AFGZIXHKTZDWFV-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB CC(C)c1ccccc1NC(=O)COc1cccc2c1CCC[C@H]2O 32691500 NQXJHZWQZPWDEZ-LJQANCHMSA-N 339.435 4.197 0 40 EIAB Cc1nn(C)cc1CN(CCc1ccccc1)Cc1cccs1 36741270 ODJYFLXIYYEEEG-UHFFFAOYSA-N 325.481 4.035 0 40 EIAB Cc1nc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2nc1C 39980472 PLHHNBWGQGVJAR-UHFFFAOYSA-N 343.333 4.100 0 40 EIAB O=C(NCCc1ccc(Cl)s1)NCCc1ccc(Cl)s1 48251120 UHVWAFJPIQURON-UHFFFAOYSA-N 349.308 4.201 0 40 EIAB COc1ncccc1CNc1nc(-c2cccs2)nc2ccccc12 48345464 JKDGJDUUTOADEG-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(N(C)CC(C)C)cc1 58018210 RZKKKQVINUCFGE-UHFFFAOYSA-N 326.440 4.348 0 40 EIAB CCOc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 58402333 WMKDMABFXMNJRW-UHFFFAOYSA-N 339.420 4.186 0 40 EIAB CCOc1cccc(CNC(=O)COc2ccccc2C(C)(C)C)c1 61646435 UHLKGQZYTYBYLB-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)[C@@H]1CCOC1 63612287 WHAVEBHXBKXSOZ-OAHLLOKOSA-N 334.375 4.002 0 40 EIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)Cc1c(C)nn(C)c1C 69488279 LKEKJCQEJQQNIT-UHFFFAOYSA-N 345.512 4.417 0 40 EIAB COc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c(C)n1 72218107 PRWPVNWBDRLVMO-GOSISDBHSA-N 340.423 4.262 0 40 EIAB O=C(Nc1ccc2c(c1)COC2)c1cc(-c2cccc(Cl)c2)on1 92051010 HFAUYQZKRGLAII-UHFFFAOYSA-N 340.766 4.278 0 40 EIAB C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 95419573 GFRDZYHAKFQRGS-KKSFZXQISA-N 347.462 4.337 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NCc2cccc(COC(C)C)c2)c1 95420470 VQHKZLDNJMCOLK-INIZCTEOSA-N 340.467 4.421 0 40 EIAB CCOc1c(Cl)cc(CN[C@@H](C)c2cncc(F)c2)cc1OC 95420546 HTASLQYLBBIGMG-NSHDSACASA-N 338.810 4.132 0 40 EIAB Cc1nc(C)c(C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)o1 95976887 IGLPLRJDJOVHRN-HXUWFJFHSA-N 346.430 4.274 0 40 EIAB O=C(NCCCn1ccc2cccnc21)c1cc(Cl)ccc1Cl 96353349 RCIWFZAYFKKCAN-UHFFFAOYSA-N 348.233 4.163 0 40 EIAB Cc1c(C[S@@](C)=O)cccc1NC(=O)CCc1cccc(Cl)c1 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CCSc1ccccc1C(=O)NCc1cncc(-c2ccoc2)c1 575621366 WBGIJOCZHDTBGA-UHFFFAOYSA-N 338.432 4.384 0 40 EIAB CC(C)Cn1c([C@@H]2CCCN2C(=O)c2ccco2)nc2ccccc21 604418966 XXIABWAWINYCRK-KRWDZBQOSA-N 337.423 4.263 0 40 EIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)C2CCCC2)N1c1ccc(F)cc1 1615154338 FGTKNVIPBFDWOA-OALUTQOASA-N 344.474 4.364 0 40 EIAB Fc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1 1888904338 ZZXXAHBYCMFSIL-UHFFFAOYSA-N 344.415 4.080 0 40 EIAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 233405 ZKARRNAMLRSDGT-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 324603 RTJYOESOTMJYKP-CQSZACIVSA-N 347.846 4.142 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@]1(C)C(=O)O2 352814 ZGDIQHPWMXXVQA-JKSUJKDBSA-N 342.222 4.054 0 40 EIAB Cc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3)o2)cc1 386096 BDJCYGHKWRQLBE-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N1CCN=C1S2 503717 STTWKFOLQDODCV-UHFFFAOYSA-N 344.827 4.266 0 40 EIAB CC(C)Oc1cc(-n2nnnc2-c2ccccc2)c(Cl)cc1Cl 1392326 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EIAB COc1ccc(NC(=O)COc2cccc(Cl)c2)cc1Cl 5745112 CTETXAISUSFDMI-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB O=C(O)[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 5901568 UZVVSTKAXVDPCZ-IBGZPJMESA-N 346.386 4.360 0 40 EIAB CCCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 6397077 QFSBGBWMDRDJMB-UHFFFAOYSA-N 336.391 4.006 0 40 EIAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 6851018 PCSYKZBHHWWSPH-ZUZCIYMTSA-N 339.222 4.237 0 40 EIAB CN1C(=O)N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 8091523 BCABLZGYDXJMGF-UVTDQMKNSA-N 344.823 4.014 0 40 EIAB COc1cc(C(=O)N[C@@H](C)C(C)C)ccc1OCc1ccccc1 8389664 GZFBWGCATBWIRD-HNNXBMFYSA-N 327.424 4.049 0 40 EIAB C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8497921 YUJYJMOZWOFBAR-LBPRGKRZSA-N 340.250 4.043 0 40 EIAB CCOc1ccccc1C[C@H]1C(=O)Nc2ccc(Br)cc21 8673637 WFPJHLORSKELNV-CQSZACIVSA-N 346.224 4.126 0 40 EIAB CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)s2)cc1C 10060999 LBLAIIGDAYXJRO-UHFFFAOYSA-N 343.857 4.129 0 40 EIAB CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCCCCC2)cc1 10111091 LRNQNIVGDAHMME-SDNWHVSQSA-N 342.527 4.380 0 40 EIAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccno1 10253876 DNZRMUUDSYQGSX-UHFFFAOYSA-N 346.220 4.419 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(C)c(-n4cccc4)c3)ccc2o1 10321319 PFNFELUMIFKNKL-UHFFFAOYSA-N 331.375 4.488 0 40 EIAB Cc1nc(SCC(=O)c2cccc(Cl)c2)nc2c1CCCC2 12176544 JTDSVXNKIVPDLI-UHFFFAOYSA-N 332.856 4.292 0 40 EIAB COc1cccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c1 12188004 UNSMZJMLVZVCDV-LJQANCHMSA-N 346.430 4.263 0 40 EIAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 12769340 PBDXKBADJGKUQN-MRXNPFEDSA-N 340.442 4.303 0 40 EIAB COc1ccc(Cl)cc1C(=O)N1CCCSc2ccccc21 12855886 NJVHFDHDTSYYOP-UHFFFAOYSA-N 333.840 4.491 0 40 EIAB CCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 12880920 KOURLNOFIISQKP-UHFFFAOYSA-N 336.439 4.161 0 40 EIAB Oc1ccccc1-c1nnc(COc2ccc(Cl)cc2Cl)o1 13126828 GZWCZSTVVPDXEP-UHFFFAOYSA-N 337.162 4.328 0 40 EIAB COc1cc(OC)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 15394922 CABLVDSTQXFRKC-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB COc1cc(NC(=S)Nc2ccc(C)c(C)c2)cc(OC)c1OC 16213333 ZTNKNVJZSCXGHL-UHFFFAOYSA-N 346.452 4.138 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 18214566 HYQRTGQFHFUUBF-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB Cc1ncsc1-c1nnc([C@@H]2CCCCN2Cc2ccccc2)o1 19562664 XEPDLVCRMPAAPM-HNNXBMFYSA-N 340.452 4.229 0 40 EIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1Cl 28189108 ZLWYQEBNNIBTKE-UHFFFAOYSA-N 347.827 4.114 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3cc(Cl)ccc3O)c2)n1 31801412 YLJHWHRYZLDSOZ-UHFFFAOYSA-N 339.782 4.063 0 40 EIAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2ncccc2c1 32936368 GGLZOTIANWPJFD-HXUWFJFHSA-N 333.366 4.072 0 40 EIAB O=C(CSC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 33161530 LYCWYJVFBPSLLF-UHFFFAOYSA-N 336.335 4.141 0 40 EIAB Cc1cc2ncn(C[C@@H](O)COc3c(C)ccc(C)c3C)c2cc1C 36866441 MPUBRYJCQQDHCV-GOSISDBHSA-N 338.451 4.018 0 40 EIAB Cc1cc2ccccc2n1CCCNC(=O)c1cc(-c2ccco2)on1 49028594 FTAWUXMIWLBFHE-UHFFFAOYSA-N 349.390 4.018 0 40 EIAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc2c(c1)CCO2 61633788 XENMPSMDZVSWSD-UHFFFAOYSA-N 339.410 4.002 0 40 EIAB CCn1c([C@H]2CCCN2C(=O)C[C@@H](C)C2CC2)nc2ccccc21 65592103 LZOVLYBHHPAYSE-RDTXWAMCSA-N 325.456 4.156 0 40 EIAB COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 69975007 MRBYSIYLFNFIOI-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB CC(C)Cc1nnc([C@@H](C)Sc2nc3ncc(Cl)cc3[nH]2)o1 71893876 IYWRQGRKUZVLPY-MRVPVSSYSA-N 337.836 4.046 0 40 EIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2n1C 72288903 ZFVXJVNBPSJDSS-OAHLLOKOSA-N 343.430 4.146 0 40 EIAB CCOc1ccccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 72366753 DYDNAWUCSGPAMS-IBGZPJMESA-N 348.450 4.003 0 40 EIAB COC(=O)CC1(Nc2nc(C(F)F)nc3ccccc23)CCCCC1 75091875 YSFGXMKSXWVTIW-UHFFFAOYSA-N 349.381 4.245 0 40 EIAB CCS[C@H]1CCC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 84811952 NYFAUAKPMYCECJ-GJZGRUSLSA-N 338.521 4.267 0 40 EIAB O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc(Cl)ccc1Cl 85557849 PTNAHJDBPDGTSS-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB COCCn1ccc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc21 85877649 XNOUGLGJKIEFEH-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB biogenic O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ncoc1-c1cccs1 89800051 ONANTBHCRNGJSM-CYBMUJFWSA-N 346.452 4.015 0 40 EIAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2ccccc2c1 89905141 CKCDNXWBTFMCGW-ZDUSSCGKSA-N 347.370 4.089 0 40 EIAB O=C(c1ccc(Cl)o1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95434233 PGQSRWLOXXITKX-QWHCGFSZSA-N 337.803 4.035 0 40 EIAB CC(=O)Nc1ccc(C(=O)Oc2cccc(Oc3cccnc3)c2)cc1 95456220 HRFIJNWGICVQLK-UHFFFAOYSA-N 348.358 4.052 0 40 EIAB Clc1cc(Br)ccc1N1CCN=C1c1ccccc1 95915861 DMFABVNJVZIBAJ-UHFFFAOYSA-N 335.632 4.369 0 40 EIAB O=C(NCCCSC(F)(F)C(F)(F)F)OCc1ccccc1 95918481 IXANBAMQJLBOEC-UHFFFAOYSA-N 343.317 4.191 0 40 EIAB CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1C 96389115 RPWOHKRPIWHCMO-MRXNPFEDSA-N 337.341 4.131 0 40 EIAB Cc1cc(OCC(=O)NCc2cccc(OC(C)C)c2)ccc1Cl 218937916 IOLBOVRNHHLQMV-UHFFFAOYSA-N 347.842 4.131 0 40 EIAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 224601848 JQNIPRYWLCSEOI-ZDUSSCGKSA-N 337.872 4.083 0 40 EIAB CCO[C@](C)(C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1)C1CC1 225725615 OFVMMNQAYYKLNS-FQEVSTJZSA-N 333.472 4.482 0 40 EIAB Fc1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 225836612 SDDYDZLSDKYERK-UHFFFAOYSA-N 328.334 4.331 0 40 EIAB Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1C 225902017 BPZWXZCHBROEQK-FQEVSTJZSA-N 336.479 4.178 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)c3cccc(F)c3)CC2)o1 227163821 CXPORLYYSUTZII-UHFFFAOYSA-N 330.403 4.131 0 40 EIAB O=C(Cc1ccc(F)cc1)N[C@@H](c1ccsc1)c1cccs1 390826832 QCIVHYNTVDPTEU-KRWDZBQOSA-N 331.437 4.397 0 40 EIAB COc1ccccc1-c1nnc(SC(=O)c2ccc(Cl)cc2)o1 408625645 YUZXMGXYBMGFCS-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 408680599 NZEFCCFRNAWQQS-ROUUACIJSA-N 325.452 4.208 0 40 EIAB CCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccccc1 409096433 KJEZEEZEATWPNE-UHFFFAOYSA-N 339.464 4.445 0 40 EIAB CCCc1ncc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)s1 544999309 JNPGSGPQKRKTHM-UHFFFAOYSA-N 332.404 4.018 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)Nc1cccs1 575611002 SCJOERJFJMPPGL-OAHLLOKOSA-N 344.461 4.332 0 40 EIAB Cc1cccc(C2=CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)c1 577184058 IQLWIFUNRUVXQA-LJQANCHMSA-N 325.383 4.049 0 40 EIAB O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)OCO3 94860 SVKWAXJFZOFQQH-VIFPVBQESA-N 336.174 4.196 0 40 EIAB Cc1ccccc1CSCC(=O)NCCc1ccc(Cl)cc1 260439 VADUOQKEUPFGOE-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB C[C@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc3ccccc23)CC1 300528 XCNCPQPAEDAPFL-LAUBAEHRSA-N 336.479 4.176 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1Br 361900 OFQRBPDYPZCKAP-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)N1CCC[C@H](C)C1 413293 IZHFILFFIVDSOW-AWEZNQCLSA-N 328.481 4.148 0 40 EIAB COc1c(Cl)cccc1C(=O)Nc1ccccc1N1CCCC1 570221 RXOFVYHOOCTXDS-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1 1270456 MWPAZGADDRYRJP-UHFFFAOYSA-N 327.409 4.348 0 40 EIAB CC(C)(C)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 3912440 SLVOWXSUWGSSEC-UHFFFAOYSA-N 335.860 4.257 0 40 EIAB CCCCc1ccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)cc1 4033312 CIXRAYITPAQJLK-QGZVFWFLSA-N 347.462 4.436 0 40 EIAB CCCn1cc(SCC(=O)NCc2ccccc2)c2ccccc21 4060596 FFINMTPSZARUJV-UHFFFAOYSA-N 338.476 4.460 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 4696250 MIEKHPVGUXVDBU-HOTGVXAUSA-N 336.435 4.057 0 40 EIAB Cc1cc(C(=O)OCCOc2ccc(Cl)cc2)c2ccccc2n1 4766272 FXTBTWJQTFGMCU-UHFFFAOYSA-N 341.794 4.432 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1ccc2ncsc2c1 6649160 ZVNYDWAIQLPYJQ-ZDUSSCGKSA-N 326.446 4.263 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C 6667888 DIEPYOCGHDPYPR-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(Cl)cc2)c1 7791766 NJNNPGIUXINZNX-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2)cc1 7883882 XMAWHXOTXOUJSL-HXUWFJFHSA-N 346.386 4.172 0 40 EIAB CCOc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F 8181718 MROBZOKHZCDNDO-LBPRGKRZSA-N 335.350 4.178 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C(=O)O 8215033 ZJTIWRULFBVAOI-NSHDSACASA-N 349.839 4.299 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCSCc2ccccc2)cc1 8498608 QBYOCDPFBDBPSB-UHFFFAOYSA-N 329.465 4.137 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ncc(C)s2)cc1OC 10556222 ZGZUWOPKYSXVPM-UHFFFAOYSA-N 340.832 4.155 0 40 EIAB CC[C@@H](C)Nc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1 10762388 SKNPVVATGWIFDV-SNVBAGLBSA-N 346.481 4.205 0 40 EIAB Cc1onc(C(C)C)c1C(=O)NC1(c2ccccc2F)CCCC1 12197963 TUJGVNSBRASOQU-UHFFFAOYSA-N 330.403 4.445 0 40 EIAB CCNC(=O)c1cccc(Nc2ccc(C(=O)c3ccccc3)cc2)c1 12517463 SMTHHTIRUOKBTQ-UHFFFAOYSA-N 344.414 4.411 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1ccccc1 12846423 QPVAGOFFKOJTAB-GFCCVEGCSA-N 326.783 4.486 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13689099 JXTREMOHOLORCN-CQSZACIVSA-N 349.386 4.032 0 40 EIAB COc1cccc2cc(C(=O)N[C@H](C)Cc3c[nH]c4ccccc34)oc12 13692706 XPHDYYGBODTRGV-CYBMUJFWSA-N 348.402 4.284 0 40 EIAB FC(F)(F)c1cnc(Sc2nnc3n2CCCCC3)c(Cl)c1 14164012 SIWCOBGSVZYWRY-UHFFFAOYSA-N 348.781 4.223 0 40 EIAB COc1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)c(OC)c1 15880493 MFYNQWXYYROQLY-UHFFFAOYSA-N 341.363 4.019 0 40 EIAB biogenic Cc1ccc2nc(-c3ccc(CNC(=O)c4ccco4)cc3)oc2c1 16348667 SCOHVRBHBLGRPA-UHFFFAOYSA-N 332.359 4.326 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 17167369 QPPYTYFZOIVCLI-OKILXGFUSA-N 332.444 4.152 0 40 EIAB CCCC(=O)Nc1nc(-c2cnn(C)c2-c2ccc(F)cc2)cs1 19697065 GMIFWLACVAGDSE-UHFFFAOYSA-N 344.415 4.088 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCC2)cc1 20482695 PREZBDGZVRVLJQ-UHFFFAOYSA-N 342.870 4.208 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(Cl)cc1 20491905 GOPASSJYXZSNKL-OAHLLOKOSA-N 345.870 4.419 0 40 EIAB CN(C)CCNCC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 20590015 OQOVZVDROYLCSG-LJQANCHMSA-N 334.866 4.152 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(F)cc1Cl 21901179 SVGZVQYNXDUJDL-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccccc1C 22072530 KFCPFYQKMJATMT-UHFFFAOYSA-N 347.418 4.263 0 40 EIAB CCCNC(=O)[C@@H]1CCCN1Cc1sc2ccccc2c1Cl 27112253 RVPUOFAINKVUCZ-ZDUSSCGKSA-N 336.888 4.045 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 27741339 OIVZYFFCWUTGQA-GOSISDBHSA-N 342.508 4.404 0 40 EIAB CCCn1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 28241375 QNTQCPQLTUIOOQ-UHFFFAOYSA-N 331.725 4.218 0 40 EIAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cccc(C)c3)c2C)c1 32610078 AKVHRSFFIGJRIC-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C)cc2)cc1 40009503 CAFZDIHSMNGKIU-IBGZPJMESA-N 341.476 4.459 0 40 EIAB COc1cccc(/C=C/C(=O)N2CCCCC[C@@H]2c2cccn2C)c1 40046874 KONIXPTYCUJMCW-DRUFCSCSSA-N 338.451 4.191 0 40 EIAB C[C@@H](Cc1ccco1)NC(=O)C1c2ccccc2Oc2ccccc21 42381865 DGXYWIMTAXDONA-AWEZNQCLSA-N 333.387 4.265 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 43165000 KVCJDRKKDNUKDT-MRXNPFEDSA-N 348.805 4.144 0 40 EIAB COCCn1c(SCc2cc(-c3cccs3)on2)nc(C)c1C 46028892 QOYRZRQTWRZXHW-UHFFFAOYSA-N 349.481 4.155 0 40 EIAB O=S(=O)(Cc1ccccc1)Cc1csc(C2CCCCC2)n1 46189944 AIFAYZFPBPDLEQ-UHFFFAOYSA-N 335.494 4.306 0 40 EIAB CC(C)c1noc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 47274070 KIBLRWZWTMWLKU-UHFFFAOYSA-N 340.402 4.103 0 40 EIAB COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1 57316767 CSMLSMMCGCBRQA-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB O=C(CC[S@](=O)Cc1cccc2ccccc12)Nc1ccccc1 58203498 HLQHSUXEFAKACW-XMMPIXPASA-N 337.444 4.117 0 40 EIAB COc1ccc(NC(=O)c2sc(-c3ccccc3)cc2OC)cn1 58391133 LSSVYHHLBBXDCP-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1 58391714 LENBUSPBLSLHMT-UHFFFAOYSA-N 344.414 4.302 0 40 EIAB CCc1sc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)cc1C 68050994 RLUSASLNAIBMLB-CQSZACIVSA-N 333.457 4.006 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 68955326 CTMHMGRTCVZQSZ-KRWDZBQOSA-N 337.463 4.471 0 40 EIAB Fc1cc2ncc(NCc3ncoc3-c3ccccc3)nc2cc1F 75109961 CMVPGGWZUIUKRI-UHFFFAOYSA-N 338.317 4.175 0 40 EIAB Cc1ccc(-c2nc(CNCc3ccccc3-n3cccn3)co2)cc1 84172064 NZVNAYXYCNOMMJ-UHFFFAOYSA-N 344.418 4.126 0 40 EIAB Cc1cc(N[C@H](c2nc(C)cs2)C2CC2)nc(-c2ccccn2)n1 95403304 SKZJAZMVYZTUHK-INIZCTEOSA-N 337.452 4.175 0 40 EIAB CN(C[C@H]1CCOC1)C(=O)Nc1cccc(CSC(C)(C)C)c1 95408891 WKMHDTMEBPXZJU-OAHLLOKOSA-N 336.501 4.219 0 40 EIAB Cc1ccccc1-c1nnc(CNc2ccc(F)cc2OC(F)F)o1 95414888 YKYBQNLEIKMOII-UHFFFAOYSA-N 349.312 4.398 0 40 EIAB COc1cc(F)c(C(=O)N(C2CCC(C)CC2)C2CC2)cc1OC 95965856 ZWDXBTVGOHYWNG-UHFFFAOYSA-N 335.419 4.026 0 40 EIAB Fc1ccc2c(c1)[C@H](NC1CCN(c3nccs3)CC1)CCS2 95972818 UJFUUQKGDPPHPT-OAHLLOKOSA-N 349.500 4.078 0 40 EIAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(Cl)cc1F 97159129 HSQNPTQHGZYXNQ-UHFFFAOYSA-N 339.804 4.311 0 40 EIAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 107490556 JXWHJJPHFGLNHC-OPRDCNLKSA-N 348.394 4.037 0 40 EIAB FC(F)(F)Oc1cc(CBr)ccc1Br 140282568 RUPWXGBVLOUFKO-UHFFFAOYSA-N 333.929 4.243 0 40 EIAB CCCc1nc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)n[nH]1 213376755 SPIGPUXZRXZLIS-UVTDQMKNSA-N 331.441 4.098 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2ccc(OC)cc2)cc1 222870457 COXOGZWWKWWGEJ-FQEVSTJZSA-N 341.451 4.074 0 40 EIAB CCOc1cccc(NC(=O)Cc2cccc(Br)c2)c1 225617067 AIIPFYNMDWBWOY-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(NC(=O)c2ccccn2)cc1 245227380 LBHXSGVMJXHIEB-HRCADAONSA-N 349.434 4.099 0 40 EIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccc(O)cc2)s1 247830510 LGTBRJKPGGVDFV-ZACQAIPSSA-N 327.449 4.229 0 40 EIAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cc(C2CC2)on1 390827221 VBWFTDLFFOMNKK-OAHLLOKOSA-N 330.434 4.194 0 40 EIAB Cc1cc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c2cc1C 420271 YCGTZMWAAAFDQR-UHFFFAOYSA-N 347.340 4.311 0 40 EIAB COc1ccc2ccccc2c1/C=C1\N=C(c2ccc(F)cc2)OC1=O 430186 GSEZCIFRTVCQBB-PDGQHHTCSA-N 347.345 4.332 0 40 EIAB O=C(Oc1cccc2c(C(=O)Oc3ccco3)cccc12)c1ccco1 973058 HRJXLRZQNAYMOO-UHFFFAOYSA-N 348.310 4.464 0 40 EIAB Cc1ccc(-c2nnc(N(C(=O)C3CC3)C3CCCC3)s2)cc1 1345457 FBPXNQIKTRDGLK-UHFFFAOYSA-N 327.453 4.199 0 40 EIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1678243 LZSJASSXOILRIY-MOPGFXCFSA-N 335.403 4.087 0 40 EIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccccc1F)C3 2120041 OGPBYBUHTBHVKT-UHFFFAOYSA-N 339.366 4.214 0 40 EIAB biogenic CCn1c(C)nc2cc(-c3nnc4n3-c3ccccc3SC4)ccc21 2638048 QYAMSSWSSQPGGM-UHFFFAOYSA-N 347.447 4.218 0 40 EIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc2ccccc2o1 3282369 IOHRTIRSMXENQT-UHFFFAOYSA-N 335.388 4.127 0 40 EIAB Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C 4038610 LKCLDBWNAGGALM-UHFFFAOYSA-N 349.821 4.463 0 40 EIAB aggregator Cn1c(=O)c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc21 4434629 NXOSKBPIWPKMFO-VQHVLOKHSA-N 331.202 4.411 0 40 EIAB CC(C)c1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1 4700008 VMJQJUFKJSTJNI-UHFFFAOYSA-N 328.500 4.081 0 40 EIAB Cc1cc2cc(C)c(NCCNC(=O)c3ccccc3C)nc2cc1C 4848606 UATUVPXSAOMZDZ-UHFFFAOYSA-N 347.462 4.310 0 40 EIAB CCCCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887762 BRJVNUBYMFNZCA-JBACZVJFSA-N 336.431 4.486 0 40 EIAB CCC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2sc1=O 5485694 NSPGHQXOPUYSBM-MRXNPFEDSA-N 338.428 4.468 0 40 EIAB C[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1cccs1 5626890 LJGADFZMSOJUMY-GFCCVEGCSA-N 328.462 4.266 0 40 EIAB COc1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 5680891 HRDLSHKXQHMODI-UHFFFAOYSA-N 345.489 4.104 0 40 EIAB CC(=O)Nc1ccc(SCC(=O)c2ccc3c(c2)CCC3)cc1 6919773 ALPSNKYLBDVVJJ-UHFFFAOYSA-N 325.433 4.109 0 40 EIAB Cc1oc(C)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C 9882671 AHMXPTJATYIWMD-UHFFFAOYSA-N 327.380 4.499 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(OC(F)(F)F)cc2)N1C1CC1 12644776 GKOAQKFLCRXZOT-INIZCTEOSA-N 348.324 4.314 0 40 EIAB Cc1cc(F)ccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 12988659 JYBACWOFJJYAKG-UHFFFAOYSA-N 349.789 4.130 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc2ccccc2s1 12997963 DZLPXYDVMBLHGX-UHFFFAOYSA-N 345.855 4.020 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1cccc(Br)c1 14553062 VZMSVRLSSUHOMZ-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1 16623266 NWWQVVXORJACNE-OAHLLOKOSA-N 328.481 4.176 0 40 EIAB CCc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4)ccn3n2)cc1 16840107 PZTMOKALTFHTDW-UHFFFAOYSA-N 343.430 4.082 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 22508610 ACYKYMFDYPFNRU-HUUCEWRRSA-N 329.465 4.443 0 40 EIAB C[C@@H](CNC(=O)CSc1ccc(F)c(Cl)c1)c1ccccc1 23264061 QKWSWWIKDDOKFW-LBPRGKRZSA-N 337.847 4.491 0 40 EIAB O=C(Cc1ccccc1F)OCc1csc(-c2ccc(F)cc2)n1 23629374 YSARCDXMONREDY-UHFFFAOYSA-N 345.370 4.374 0 40 EIAB C[C@H]1c2cccn2CCN1C(=O)c1cccc(Oc2ccccc2)c1 29378991 LNNCKMTUNRQKFN-INIZCTEOSA-N 332.403 4.497 0 40 EIAB CC(=O)N(CCC(C)(C)Cc1ccccc1)[C@H]1CCOC(C)(C)C1 32124163 WLCTXZBTLSUXCA-IBGZPJMESA-N 331.500 4.452 0 40 EIAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1C 36621228 QWTAROZFXCSIGL-GOSISDBHSA-N 349.883 4.483 0 40 EIAB C[C@@H](Sc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1 40017453 CHDSEYLRNLQBHF-LLVKDONJSA-N 341.415 4.190 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)c1C 40154232 INIZFICLLUGPQC-XJKSGUPXSA-N 344.480 4.304 0 40 EIAB O=C(Oc1ccc(C2SCCS2)cc1)c1cccc2cn[nH]c12 43978626 JYHHYRMMUSFSMX-UHFFFAOYSA-N 342.445 4.261 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1cccc(OCc2cccnc2)c1 44396478 YYAMXRMANFAAGT-NRFANRHFSA-N 344.414 4.078 0 40 EIAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cnsn1 47412512 URQFRBFQOWOPQR-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1ccc(OCC(C)C)cc1)SCC(O)=N2 49544741 OXRLGTUHARHJBR-QGZVFWFLSA-N 345.468 4.188 0 40 EIAB COc1ccccc1CCC(=O)N1CCCC[C@H]1Cc1ccccc1 58209165 PEXPZDWGSNHMSN-FQEVSTJZSA-N 337.463 4.252 0 40 EIAB CCCCCNC(=O)C1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 65552577 SZXZMIJDZHXOLW-AWEZNQCLSA-N 338.442 4.044 0 40 EIAB CCOC1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 69347631 YZYOSGHEBLZULE-UHFFFAOYSA-N 330.453 4.448 0 40 EIAB Cc1noc(C)c1CNC(=O)C1(Sc2ccccc2)CCCC1 69631309 AJLTUKUQWKEKRV-UHFFFAOYSA-N 330.453 4.013 0 40 EIAB CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)OCCS3)cc1 70637407 KGKNWRBSFDEBGS-UHFFFAOYSA-N 334.485 4.072 0 40 EIAB O=C(C1CC1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 71911468 BSTMQLWKTCCDHF-OAHLLOKOSA-N 349.356 4.169 0 40 EIAB COc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)c1OC 71978267 DWUNCQUAWAYHDP-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB Cc1csc(-c2cccc(NC(=O)N[C@@H](C)c3ccncc3)c2)n1 72083678 XBSWUDDDRFEVQQ-ZDUSSCGKSA-N 338.436 4.396 0 40 EIAB C[C@@H](C(=O)Nc1cccc(Cl)c1SCC(F)F)n1ccnc1 72290761 IJSNOFFOYPGMLK-VIFPVBQESA-N 345.802 4.093 0 40 EIAB Cc1ccccc1-c1cncc(C2CCN(Cc3ccccn3)CC2)n1 72359425 LHLPJCOBRVPFFC-UHFFFAOYSA-N 344.462 4.227 0 40 EIAB CCn1c(C(=O)N(CC(F)(F)F)c2ccccn2)cc2ccccc21 75126568 XIMXNWSXIQEXQH-UHFFFAOYSA-N 347.340 4.265 0 40 EIAB CS[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 78821148 CWSSUFZAKKPWPY-IAQYHMDHSA-N 349.887 4.145 0 40 EIAB COCCc1noc(-c2sc(-c3ccc(Cl)s3)nc2C)n1 84064677 PFQPOUDERSEQBJ-UHFFFAOYSA-N 341.845 4.072 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)[C@H]1C[C@@H]1c1cccnc1 84506023 ALABYRPXPYNAEK-MSOLQXFVSA-N 335.451 4.204 0 40 EIAB CC(C)c1ocnc1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 96407256 VUKJHCSLAHOLAJ-DEOSSOPVSA-N 348.468 4.098 0 40 EIAB CCOc1cc(-c2ccc(OC)c(O)c2)cc(=O)c2c(C)oc(C)c12 98086998 PYZXRPBKSXXJGQ-UHFFFAOYSA-N 340.375 4.190 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103305242 VZOZVEYJRVNGHT-ZTZSKLLQSA-N 345.870 4.204 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 113955879 WTELIWMTFFEXOH-CQSZACIVSA-N 329.893 4.145 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)[C@H]3CC=CCC3)CCCC2)s1 225682442 JTWQXJOTPKTTAY-CABCVRRESA-N 333.497 4.086 0 40 EIAB O=C(Nc1cccc2ccccc12)c1cnn(Cc2ccccc2)c1 225889510 UBFQSQIUNGQQOF-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB Cc1cccc([C@@H]2CCCCN2C(=O)c2cnc([C@@H](C)O)s2)c1C 252485433 GVOVRLKAZJNKLC-ZBFHGGJFSA-N 344.480 4.181 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Oc1ccc2nccnc2c1 408735346 NVRBBCOUROWKJN-UHFFFAOYSA-N 337.448 4.206 0 40 EIAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1coc(-c2ccc(Cl)cc2)n1 530178995 KHVKOBBMTSVCTB-VXGBXAGGSA-N 348.830 4.069 0 40 EIAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)Cc2coc3ccccc23)cc1 585082077 ZBMNIVHDYBKPKA-RBUKOAKNSA-N 335.403 4.046 0 40 EIAB O=C(Nc1ccccc1)N(CC1CC1)C[C@H]1CCCN2CCCC[C@H]12 1565520633 ZHHYLICSOMEKNA-UYAOXDASSA-N 341.499 4.195 0 40 EIAB biogenic CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)CC)c1ccccc12 502308 APCRKJOHJLOPIZ-UHFFFAOYSA-N 339.391 4.132 0 40 EIAB COc1ccc(-c2c3c(cc(C)[n+]2[O-])oc2ccc(OC)cc23)cc1 537071 DIPRAFIKGBYDDD-UHFFFAOYSA-N 335.359 4.212 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1C)C2 1369874 ZILDTCDQNGXCTE-IAGOWNOFSA-N 331.529 4.077 0 40 EIAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1 4242719 LIIKEGYZEZWZEQ-MRVPVSSYSA-N 344.219 4.239 0 40 EIAB Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1Cl 4661784 JCBDKLLAVXBOPZ-UHFFFAOYSA-N 341.846 4.280 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 4692055 LZCICCXBBYHFCF-HZYBFLBOSA-N 346.511 4.164 0 40 EIAB Cc1cc(C)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2n1 4931757 HGEGMIKXYMYSEL-UHFFFAOYSA-N 335.451 4.402 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)c1 5199469 DBQBAUVTDXTFLA-OUKQBFOZSA-N 336.435 4.337 0 40 EIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OC)cc1 5208340 IYLVYMUABTWYEF-UHFFFAOYSA-N 343.427 4.405 0 40 EIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 5405495 HZNWVHAYFDXBRU-UHFFFAOYSA-N 344.386 4.103 0 40 EIAB Cc1ccc(NC(=O)OCc2ccccc2)cc1N1CCCCC1=O 5441861 GQKAHJPYHLUVGO-UHFFFAOYSA-N 338.407 4.261 0 40 EIAB O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1cccs1 5548492 WHADRLOAKUKOPT-UHFFFAOYSA-N 346.791 4.216 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc(Cl)c3C)oc2c1 6811252 MAZMVBCJBHCLSW-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C 6919509 IWGIGWVBRRPGPC-UHFFFAOYSA-N 330.453 4.058 0 40 EIAB Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 7109582 FGFSZDBXHYXEEW-UHFFFAOYSA-N 344.461 4.157 0 40 EIAB COCCn1c(-c2ccccc2OC)cs/c1=N\c1ccccc1 7611458 TXVSDIKCZDFVLK-VXPUYCOJSA-N 340.448 4.104 0 40 EIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(F)cccc2s1 8072888 KRFGHYIDGZUUNM-UHFFFAOYSA-N 343.379 4.041 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(F)cc(F)c1 8347018 HATUOXJIMRQNFN-JTQLQIEISA-N 332.375 4.408 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccn(-c2ccccc2)n1 12758384 FYJNEXJKYGAMBW-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)cc1 12761091 NKEXOWIUVSHQKJ-LKQLOZHYSA-N 325.383 4.211 0 40 EIAB CCCCc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 13002905 YUODTRJQGVTRJY-UHFFFAOYSA-N 333.435 4.396 0 40 EIAB O=c1[nH]c2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2o1 14164105 MFNOZAWGJWBVTB-UHFFFAOYSA-N 327.340 4.127 0 40 EIAB Cc1ccc(-c2noc(COC(=O)c3ccc(F)cc3Cl)n2)cc1 15187217 BMRXRYLNKQXECI-UHFFFAOYSA-N 346.745 4.195 0 40 EIAB O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNCc1ccccc1F 19349548 VBEHHBDFBYFRIY-UHFFFAOYSA-N 342.801 4.124 0 40 EIAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(N)c1 20343515 KPUIYXMJONEBBS-UHFFFAOYSA-N 332.403 4.048 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 20455619 ATQZXIVBIOILJV-HZPDHXFCSA-N 349.430 4.493 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(F)cc1 20460544 QKCOREWKBKSMKV-QAPCUYQASA-N 329.415 4.477 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 22119750 QRZUUWULIVGIFS-UHFFFAOYSA-N 335.146 4.409 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 22410535 MVLWUNSMVZTHAQ-UHFFFAOYSA-N 328.375 4.186 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCc3cccs3)ccc2c1 24580435 AERRSTOEGZOHQN-ZDUSSCGKSA-N 325.433 4.330 0 40 EIAB Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2)cnn1-c1ccccc1F 25616931 ZWDRYYRFMZKNDS-AWEZNQCLSA-N 337.398 4.153 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)nc1 27642045 TVLUQZGWFXYQMK-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)[C@H]1CCCO1 27877914 VPTJOAYURRILNO-SMDDNHRTSA-N 335.856 4.366 0 40 EIAB O=C(CCC1CCCCC1)Nc1cccc(CN2CCCC2=O)c1 29290413 YPQNQAFCWKLACK-UHFFFAOYSA-N 328.456 4.108 0 40 EIAB O=C(CCc1ccccc1)Nc1nc(CN2CCCCCC2)cs1 29635375 MDXKGWMIZKQNMR-UHFFFAOYSA-N 343.496 4.090 0 40 EIAB COc1ccc(CCS[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 32854110 QZSVRJSFTMIFFY-ZDUSSCGKSA-N 333.428 4.137 0 40 EIAB Cc1cc(C)cc(C(=O)c2ccc(I)cc2)c1 36941483 KOYYNYIOZGRLNB-UHFFFAOYSA-N 336.172 4.139 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-n2cccc2)n1 38679088 JIDCCEXAUXBPDE-UHFFFAOYSA-N 337.326 4.205 0 40 EIAB O=C(/C=C/c1cccs1)Nc1cc(N2CCCC2=O)ccc1Cl 40090706 NFSHLLWNSGFQOR-SOFGYWHQSA-N 346.839 4.180 0 40 EIAB Cc1c(C(=O)N2CCCSc3ccccc32)oc2c1C(=O)CCC2 41614425 RUYSVRVQFGDPOM-UHFFFAOYSA-N 341.432 4.250 0 40 EIAB Oc1cc(-n2cnnc2)ccc1-c1nc2cc(Cl)cc(Cl)c2o1 45920468 WCXOSGNMEZCERQ-UHFFFAOYSA-N 347.161 4.088 0 40 EIAB CCC(C)(C)NC[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C 48343051 IPOWXDYINOKWLN-CQSZACIVSA-N 327.896 4.290 0 40 EIAB COc1ccccc1CN(Cc1nc2ccccc2nc1C)C1CC1 52182571 KQJDKDAWGPMQKH-UHFFFAOYSA-N 333.435 4.111 0 40 EIAB CCn1c(CN[C@@H](C)c2ccc(OC)c(F)c2)nc2ccccc21 54041187 MAISWIQCYUHBLO-ZDUSSCGKSA-N 327.403 4.055 0 40 EIAB Cc1c(Cl)cccc1-n1ccnc1SCc1nnc(C2CC2)o1 58333174 OKEVZMHUVJPQHW-UHFFFAOYSA-N 346.843 4.387 0 40 EIAB CN(C)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)nc1 58416714 UAVJKWQLKATTAV-UHFFFAOYSA-N 341.798 4.313 0 40 EIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2s1 65593198 VYOBOOWCSCHZDG-KBPBESRZSA-N 338.432 4.071 0 40 EIAB Cc1c(NC(=O)N(C)Cc2ccncc2)cccc1OC1CCCC1 71857118 DRZDTKXSGUNSSC-UHFFFAOYSA-N 339.439 4.375 0 40 EIAB CCc1nnc([C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)o1 71893917 IIYWJUNJRVDQHO-JTQLQIEISA-N 349.847 4.028 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1nc(C(C)(C)C)ns1 71916299 CZQMGRGMXDKKNN-ZDUSSCGKSA-N 347.488 4.236 0 40 EIAB CCCC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 72193661 WWTGRRKTPITJDU-UHFFFAOYSA-N 330.472 4.068 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215950 QQFVQMPFKOKNQK-MRXNPFEDSA-N 331.460 4.144 0 40 EIAB Cc1cncc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)c1 74727935 LBPIARJFBINATO-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)N(C[C@H]1CCOC1)c1ccccc1 84549100 PKCVSLUIRSQDDO-VGMNTSGFSA-N 341.838 4.423 0 40 EIAB CCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 84801079 YSQQKJNSSLFBLW-LSDHHAIUSA-N 342.266 4.124 0 40 EIAB Cc1csc([C@@H]2CN(Cc3ccc(C(C)(C)C)s3)CCO2)n1 92790140 WFPSOMKEWGEQQP-AWEZNQCLSA-N 336.526 4.384 0 40 EIAB Fc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1ccccn1)CCO2 95419303 FDZWKGNCVPKWNJ-NQIIRXRSSA-N 334.394 4.424 0 40 EIAB COc1ccccc1[C@@H](C)CN[C@@H](C)c1cccc(NC(C)=O)c1 95421650 KTSCLZSBZYGSNT-GJZGRUSLSA-N 326.440 4.108 0 40 EIAB CC(=O)N1CCc2cc(N[C@H](C)c3ncc(-c4ccccc4)o3)ccc21 96436830 DSKXTHOLVISDCV-CQSZACIVSA-N 347.418 4.424 0 40 EIAB Cc1nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2c1-c1ccccc1 100133262 SJOCEMOUNGUKKP-UHFFFAOYSA-N 335.794 4.318 0 40 EIAB O=C1OC(c2ccccc2)(c2ccccc2)[C@H]2C[C@]12c1ccccc1 104193980 DHCYKQGURXPMHH-RBBKRZOGSA-N 326.395 4.445 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC 107909038 WPGRMWOHIAPGPL-UHFFFAOYSA-N 335.787 4.095 0 40 EIAB Cc1cc(C)c(N2CC[C@H](S[C@H](C)c3cnccn3)C2=O)c(C)c1 191161600 VTBWGZOHKMOKIC-WBVHZDCISA-N 341.480 4.002 0 40 EIAB O=C(NCc1c(F)cccc1F)c1ncc(-c2ccc(Cl)cc2)o1 206588700 FOFGPTBDKCJSAU-UHFFFAOYSA-N 348.736 4.203 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)c3cc(C)cs3)C2)cc1 208004117 NYJQYUAJCGXRPY-INIZCTEOSA-N 329.465 4.475 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCc2cccc3ccccc23)c1 222864295 AYERPIPZQVKEDM-UHFFFAOYSA-N 333.431 4.460 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc2ccccc12 222877676 NTPBFUWMBRDJSD-IBGZPJMESA-N 349.430 4.322 0 40 EIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224151408 MQLPWORCYQHDEV-ZWKOTPCHSA-N 335.432 4.160 0 40 EIAB O=C(Nc1ccc(F)cc1)Nc1cnc(Oc2ccccc2F)nc1 224290160 XLGMGFCAOJRBNA-UHFFFAOYSA-N 342.305 4.191 0 40 EIAB Cc1cccc(NC(=O)[C@H]2CCc3[nH]nc(-c4ccccc4)c3C2)c1 306137326 QTBURWQGBPBJSZ-INIZCTEOSA-N 331.419 4.129 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(C)cc2Br)c1 38444 FDWAUARVNAYWRA-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Oc1ccc(-c2nc3sc(-c4ccc(O)cc4)nc3s2)cc1 113897 SAIQMXKAQRSASU-UHFFFAOYSA-N 326.402 4.498 0 40 EIAB COc1ccc2nc(NC(=O)/C=C/c3ccc(F)cc3)sc2c1 131349 DJARTYLRXBJEPY-RUDMXATFSA-N 328.368 4.096 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 311785 QXRRRUJESCBHBB-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl 479888 ZWDLJJWEPACWBK-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1 497059 YVERRVMKZIZVMN-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB Cc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 526714 AJZBYHWFVPUSSP-UHFFFAOYSA-N 330.478 4.213 0 40 EIAB Cc1ccccc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 540799 PQYXUMMZZCMYAW-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CCOC(=O)COc1ccc(-c2ccccc2)c(Br)c1 1628223 CFJWEPLHINLSBN-UHFFFAOYSA-N 335.197 4.058 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1 1646594 ZUURWCDQROSXFW-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CC(C)CCNc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 2334823 HULPFYZOMCPIHL-UHFFFAOYSA-N 340.427 4.080 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12 2543603 PYUCKKYNWRPHDN-UHFFFAOYSA-N 345.402 4.104 0 40 EIAB COc1ccc(CN(C)C(=S)Nc2ccc(F)c(Cl)c2)cc1 3325958 KHOJUKRCLCHXBI-UHFFFAOYSA-N 338.835 4.317 0 40 EIAB CCOc1ccc(CN(C)C(=O)Cc2coc3cc(C)ccc23)cc1 3348721 ZKJYYQXKZFHTKI-UHFFFAOYSA-N 337.419 4.341 0 40 EIAB Cc1ccc(Cl)cc1-n1ncc2c(NCCC(C)C)ncnc21 4354773 CGEOJYDYTQTUQY-UHFFFAOYSA-N 329.835 4.235 0 40 EIAB Cc1ccc(OCc2nn3c(-c4cccs4)nnc3s2)cc1C 4939219 VRPPIAIXMDPWJG-UHFFFAOYSA-N 342.449 4.110 0 40 EIAB Cc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 5016846 IICWULFIEUNHSL-UHFFFAOYSA-N 329.509 4.481 0 40 EIAB CC(=O)c1ccccc1OCCSc1ncnc2sccc12 5262218 RRTBOTOEVJZXRJ-UHFFFAOYSA-N 330.434 4.065 0 40 EIAB O=C1O[C@@H](C(=O)Nc2ccccc2-c2ccccc2)Cc2ccccc21 6609519 OIHQFWMATNTHNQ-HXUWFJFHSA-N 343.382 4.074 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 6811356 STQMTKQITBSYJN-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB COc1ccc([C@H](NC(=O)c2cc(C)oc2C)c2ccccc2)cc1 6881884 CYVIKFLSYJLHJL-HXUWFJFHSA-N 335.403 4.424 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 7129464 QCNPNTZACVVQDU-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB Cc1cccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)c1 7615759 BLDBVXUTSWRIJP-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC 8041327 WCAHPPWRJKDNDU-INIZCTEOSA-N 349.814 4.153 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 8060631 ZQPLPQYTQFBGSJ-UHFFFAOYSA-N 342.153 4.171 0 40 EIAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 8270660 QBSFDQSMAWMRDB-QGZVFWFLSA-N 338.407 4.135 0 40 EIAB O=C(/C=C/c1ccccc1)OCc1nc(-c2cccc(Cl)c2)no1 8290915 BYGMIDZTGSBYKE-MDZDMXLPSA-N 340.766 4.147 0 40 EIAB Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 8718818 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O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 12977416 PIHORJAEVDVFNK-UHFFFAOYSA-N 336.218 4.273 0 40 EIAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccc(Cl)c(Cl)c1 13060672 KEWNZOOOOUUYAS-UHFFFAOYSA-N 341.213 4.203 0 40 EIAB Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1F 13320324 DQXAMWHUOJDPBP-UHFFFAOYSA-N 347.821 4.142 0 40 EIAB CSc1ncccc1C(=O)Nc1ccccc1N1CCCCC1 15309397 AZWVNOJRJYSPED-UHFFFAOYSA-N 327.453 4.046 0 40 EIAB CC[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 16420655 ONNPPRPYVMAWSU-MAUKXSAKSA-N 342.508 4.243 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1Cl 16706336 KNDAUWZDPRDKMP-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1N 20343507 DPUFKEZIJIFMII-UHFFFAOYSA-N 332.403 4.048 0 40 EIAB C[C@H]1CC(=O)N(Cc2ccc(Br)cc2)c2ccccc2N1 21793373 HNGGXBRVFPRDAH-LBPRGKRZSA-N 345.240 4.186 0 40 EIAB O=C(Nc1ccccc1O)c1ccc2noc(-c3ccccc3)c2c1 24760400 BPIJGMISCRGLRG-UHFFFAOYSA-N 330.343 4.453 0 40 EIAB CC(C)CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 25762872 VUOOYVLBEQOECA-UHFFFAOYSA-N 330.453 4.304 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cc1 27396451 KLNCXRCAGCYRSW-INIZCTEOSA-N 327.449 4.223 0 40 EIAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1 28923938 GQZBPJAXCBTTMH-IBGZPJMESA-N 336.366 4.210 0 40 EIAB Cc1c(-c2csc(CN3CCOC3=O)n2)sc2ccccc12 30447957 QXUYRDMCNBKQKM-UHFFFAOYSA-N 330.434 4.285 0 40 EIAB CC(=O)c1cccc(NC(=O)c2csc(Nc3ccccc3)n2)c1 35596739 VCHHUQAYTQGQBH-UHFFFAOYSA-N 337.404 4.342 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 38833906 ZIHCXFYMSUDLPZ-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB C[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1cccs1 40107268 YOZCBFGVCSVOIJ-JTQLQIEISA-N 327.808 4.187 0 40 EIAB Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(F)c(F)c1 49409847 DBPNTRWPABLKGK-UHFFFAOYSA-N 346.402 4.207 0 40 EIAB O=C(Nc1nncs1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57681932 HUIDKMQGMFNXJI-BAUKFBFWSA-N 339.464 4.015 0 40 EIAB CCC[C@@H]1CCCN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)CC1 58424294 PZTNKADJDHGHSA-GFCCVEGCSA-N 345.468 4.040 0 40 EIAB Cc1ccn2cc(C(=O)Nc3ccc(Nc4ccccc4)nc3)nc2c1 58429808 YNTUMFHHRMFLDN-UHFFFAOYSA-N 343.390 4.034 0 40 EIAB CSc1ncc(C(=O)Nc2cccc3[nH]ccc23)n1-c1ccccc1 65492123 IZWHUYJHOPJDDQ-UHFFFAOYSA-N 348.431 4.328 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H](C)c1nc(C)no1 65610981 PWWSWOINFASEFS-SECBINFHSA-N 336.823 4.039 0 40 EIAB COc1ccc(-c2n[nH]c(SCc3cccc(C)c3)n2)c(OC)c1 66006043 QVDAXJGGPMUIFP-UHFFFAOYSA-N 341.436 4.090 0 40 EIAB O=S(=O)(Cc1ccccc1)Cc1csc(-c2ccccc2F)n1 69876440 IUSNFYBXUCYDCN-UHFFFAOYSA-N 347.436 4.064 0 40 EIAB Cc1cccc(-c2noc(CN[C@H](c3ncccc3C)C(C)C)n2)c1 70019810 GWQHSKONIVBYCP-SFHVURJKSA-N 336.439 4.235 0 40 EIAB Cc1ccc2oc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2n1 71803694 QCIQMTCDBJIPEG-UHFFFAOYSA-N 346.390 4.191 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 72265314 JXBGUDVAIUJGHU-OKILXGFUSA-N 329.396 4.199 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1 79361098 UGKBFYWYPGAEMJ-JOCHJYFZSA-N 335.856 4.088 0 40 EIAB O=S(=O)(c1ccc(NC2CC(c3ccccc3)C2)cc1)C(F)F 89827860 GPQHOYKUKRYPSX-UHFFFAOYSA-N 337.391 4.041 0 40 EIAB C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@@H]1COc2ccccc21 89894420 OIISKFOLMPAOMA-GUYCJALGSA-N 349.390 4.028 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2=O)c1nnc(-c2ccccc2)o1 89913786 BALOUSUXHKMAJG-CYBMUJFWSA-N 334.375 4.396 0 40 EIAB C[C@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@@H](C)O1 95356640 VTCQGSQXOSMQPX-BETUJISGSA-N 340.452 4.049 0 40 EIAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1Cc1cccc(C(=O)N(C)C)c1 95455780 VBAOQHYUDALQEP-CABCVRRESA-N 340.442 4.035 0 40 EIAB CC(=O)N1CCCN(C(=O)CCCSC(C)(C)C)c2ccccc21 95973719 MUBDYSUJWCWAPO-UHFFFAOYSA-N 348.512 4.088 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)c1 96659482 XDMGVEHMWZMQEO-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc1C 223146786 YUFFYODQQIQHKG-KRWDZBQOSA-N 325.452 4.208 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 224417406 SEDPWRDBDSWZGI-AWEZNQCLSA-N 331.843 4.029 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC[C@H](C)c1ccccc1 224471001 ZZANQUBCXMXUBD-PKOBYXMFSA-N 325.452 4.381 0 40 EIAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1C1CCCC1 225005098 LAMXZUBTCFNGTJ-HOTGVXAUSA-N 329.494 4.058 0 40 EIAB Fc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225597206 IQUNLQRMOAOGDK-UHFFFAOYSA-N 334.485 4.436 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccccc2Cl)cc1C 225680562 OBMDXTKQYVWDPA-UHFFFAOYSA-N 331.843 4.410 0 40 EIAB C[C@H]1CCCN(c2c(Br)cc(N)cc2Br)C1 226316546 GPXXELZRHFTZPQ-QMMMGPOBSA-N 348.082 4.030 0 40 EIAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccccc1Cl 256050464 FCIQNSNWRBVEAJ-BQYQJAHWSA-N 330.767 4.274 0 40 EIAB O=S(=O)(NC1(c2cccs2)CCCC1)c1ccccc1Cl 390828039 NUZLFVLVCJYIBK-UHFFFAOYSA-N 341.885 4.149 0 40 EIAB Cc1sc2nc(-c3cc4c(cc3Cl)OCO4)nc(O)c2c1C 408733822 AMMPWUPHVHEJCO-UHFFFAOYSA-N 334.784 4.063 0 40 EIAB O=C(CC[C@H](O)c1ccccc1)Nc1nc(-c2ccccc2)cs1 409194757 LZWSNJGCUNREPQ-KRWDZBQOSA-N 338.432 4.262 0 40 EIAB O=C1CCCc2cc(NCc3conc3Cc3ccccc3)ccc2N1 578209980 RNVIVSHTSNBAAM-UHFFFAOYSA-N 347.418 4.152 0 40 EIAB c1ccc([C@@H]2CCC[C@@H](Nc3nccc(-c4cnccn4)n3)C2)cc1 581291422 KGPBKBHLQDLEDG-IAGOWNOFSA-N 331.423 4.072 0 40 EIAB CCc1nc(C(=O)N2[C@H](C)CCC[C@@H]2c2ccccc2OC)co1 581334457 WLHIDJDDPGGBNL-CZUORRHYSA-N 328.412 4.002 0 40 EIAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](CF)C1 881591710 UOFODNFBVUUGEF-QGZVFWFLSA-N 325.427 4.417 0 40 EIAB COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 1569989271 QSFBKFCSXRMKAR-IDBQTPICSA-N 334.500 4.299 0 40 EIAB C[C@@H](c1ccccc1)N1CC[C@H](Oc2ccncc2Br)C1 1888860433 FKSVHZVGMYAORG-ZFWWWQNUSA-N 347.256 4.058 0 40 EIAB C[C@@H]1Cc2scc[n+]2-c2ccccc2N1C(=O)Nc1ccccc1 112684 LQRPCYMQZDSDJD-CQSZACIVSA-O 336.440 4.008 0 40 EIAB CCOc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 240194 FXRBJXSYHUBYJP-SFHVURJKSA-N 341.480 4.404 0 40 EIAB biogenic CC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 330786 RTIRMCGESCTDAO-UHFFFAOYSA-N 342.445 4.230 0 40 EIAB COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 514278 XYBTWEXBWWWDDE-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cc1ccccc1-c1nc2nc3ccccc3nc2n1C[C@H]1CCCO1 542381 LCAYOERPBCHEAT-OAHLLOKOSA-N 344.418 4.134 0 40 EIAB CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 1081316 MXYUKLILVYORSK-NJDAHSKKSA-N 337.463 4.236 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1cccc(C)c1)C2 1369841 RNYHLENKICCIME-QZTJIDSGSA-N 331.529 4.077 0 40 EIAB CCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 2191123 AHOCPGIJCBCMAD-GOSISDBHSA-N 341.407 4.050 0 40 EIAB Cc1cc(Nc2ccncc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2358758 BIFXCCIJGJVEMZ-UHFFFAOYSA-N 335.798 4.497 0 40 EIAB COc1ccc2nc(NC(=O)c3cc(C)nc4ccccc34)sc2c1 2658237 OFKYBWVXLBHMRM-UHFFFAOYSA-N 349.415 4.414 0 40 EIAB COc1ccc(C(=O)OCc2c(Cl)cccc2Cl)c(OC)c1 3250142 HKWYZYHLJUXPHE-UHFFFAOYSA-N 341.190 4.368 0 40 EIAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc21 3293528 BDCLWKPXSWDHJB-CQSZACIVSA-N 339.464 4.026 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1C 3382690 XNJHGGSHJYVCQP-UHFFFAOYSA-N 341.436 4.313 0 40 EIAB COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(F)cc1 3442549 MFRCSESLHRSHLH-UHFFFAOYSA-N 338.334 4.027 0 40 EIAB Cc1ccc2c(COC(=O)c3ccc(F)cc3F)cc(=O)oc2c1C 3449002 NRBQAAVZQPOTJC-UHFFFAOYSA-N 344.313 4.045 0 40 EIAB Cc1ccn2c(NC(=O)CC(C)C)c(-c3ccc(F)cc3)nc2c1 3906491 PDJIJNSZMYOJIZ-UHFFFAOYSA-N 325.387 4.433 0 40 EIAB Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)cc3)n2)s1 4116987 LFDJDTGCEOIHHG-UHFFFAOYSA-N 331.422 4.325 0 40 EIAB C[C@@H](c1ccccc1)[C@@H](CC(=O)O)C(=O)Nc1ccc(Cl)cc1 4592070 YCFPMUGWEZOBGH-BLLLJJGKSA-N 331.799 4.173 0 40 EIAB COc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1 4678360 RMZPJLGYMJQMEQ-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB C/C(=C\c1ccccc1)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 5045785 IQDMRNHAOGKQJW-CMAIMYMYSA-N 340.511 4.060 0 40 EIAB NCCCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 5081263 ZDSURQDDPMBSEZ-UHFFFAOYSA-N 346.283 4.340 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 6477304 GDZRGQLJFFDXRJ-KGLIPLIRSA-N 346.810 4.230 0 40 EIAB CC(C)c1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O 6493139 NLZSMWXSSYKHLL-UHFFFAOYSA-N 340.810 4.382 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2C1 6607843 BUBYNBILEUADEX-GFCCVEGCSA-N 339.464 4.321 0 40 EIAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 6833688 CFIGYKSADSQWAZ-GFCCVEGCSA-N 344.436 4.150 0 40 EIAB CN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)c1ccccc1 7285400 HRNMSLPDVMTFFE-UHFFFAOYSA-N 347.443 4.288 0 40 EIAB CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)cc1 7593894 ZEOCIHILTNKJOR-UHFFFAOYSA-N 346.430 4.020 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Oc1ccccc1 7657470 CCOYOGFIMRBPCM-UHFFFAOYSA-N 326.783 4.112 0 40 EIAB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1cccc(F)c1 7791387 VUKKQLWYKSRDTG-UHFFFAOYSA-N 341.382 4.381 0 40 EIAB COc1ccc2ccc(OC)c(/C=C3/C(=O)N(C)c4ccccc43)c2c1 8091812 VWRRAMRHROBXKF-CPNJWEJPSA-N 345.398 4.374 0 40 EIAB C(=C/c1nn2c(CSc3ccccc3)nnc2s1)\c1ccco1 8393272 MYDWHYXPYMBPAE-CMDGGOBGSA-N 340.433 4.242 0 40 EIAB CCOc1ccccc1-c1noc(CN2CCCc3cc(C)ccc32)n1 9682168 TYWCLTVTOPOURG-UHFFFAOYSA-N 349.434 4.397 0 40 EIAB Cc1nc(-c2cc(C(=O)Nc3ccc(Cl)cc3)n(C)c2)cs1 12915582 UFXFTFXBWNSINM-UHFFFAOYSA-N 331.828 4.363 0 40 EIAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 13012049 INFVHIDJXCXQOU-ZDUSSCGKSA-N 328.437 4.015 0 40 EIAB COc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 13956918 UTHHKDWYXVTBHK-UHFFFAOYSA-N 348.387 4.275 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 14396154 RRQJBARXAXVIBV-UHFFFAOYSA-N 338.234 4.469 0 40 EIAB CCc1n[nH]c(SCc2cc3ccc(C)c(C)c3nc2Cl)n1 14709543 PNNYMQCZIRXBIW-UHFFFAOYSA-N 332.860 4.478 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1cccc(C2OCCCO2)c1 17167311 PCJDSYCOEBZHMS-UHFFFAOYSA-N 347.414 4.457 0 40 EIAB Cc1cccc2cc(CN(C(=O)C(C)C)C3CCCCC3)c(=O)[nH]c12 17247064 HIMCXQZGIWVIOC-UHFFFAOYSA-N 340.467 4.154 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(Cl)cc1 20493447 ISEWEOQCCGTAEU-QGZVFWFLSA-N 331.843 4.431 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C)CC2)o1 21003285 KIVWSBFLKUEADS-UHFFFAOYSA-N 349.434 4.313 0 40 EIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1 31820641 BRSIUQRXYZSBRV-INIZCTEOSA-N 349.390 4.013 0 40 EIAB Cc1ccccc1-n1c(C)nn(CN(C2CCCC2)C2CC2)c1=S 32923202 BMFRBZXHBJUXAI-UHFFFAOYSA-N 342.512 4.385 0 40 EIAB O=C(Cc1cccc(-c2nc3ccccc3o2)c1)NC1CCCCC1 41127629 DVWNCWXRYIFVIF-UHFFFAOYSA-N 334.419 4.486 0 40 EIAB COc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 44900092 QFHSBGKZOPXXOL-IBGZPJMESA-N 327.424 4.221 0 40 EIAB Cc1n[nH]c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 49026434 UMNNOBXUYJXSLI-UHFFFAOYSA-N 331.419 4.169 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1 64580974 GTFGZLRMABVPCK-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB C[C@H]1CCc2ccccc2N1C(=O)CNc1ccccc1OC(F)F 69351127 MVRPDHOSBIUMMZ-ZDUSSCGKSA-N 346.377 4.068 0 40 EIAB CC(C)(C)n1cnnc1SCc1nnc(-c2cccc(Cl)c2)o1 71882593 BQOKFBGGJZKRTI-UHFFFAOYSA-N 349.847 4.029 0 40 EIAB O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 71979024 NDMVZAFLTZGGCA-OAHLLOKOSA-N 334.297 4.097 0 40 EIAB CO[C@H](CNC(=O)CCc1cccc(C)c1)c1ccc(Cl)cc1 72296785 IGYUWFCLOAPNFT-GOSISDBHSA-N 331.843 4.085 0 40 EIAB CCOc1ccc(-c2[nH]ncc2C(=O)N2CCC(C)CC2)cc1Cl 72328704 YLYKQTUESDYXBE-UHFFFAOYSA-N 347.846 4.001 0 40 EIAB Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc2)cs1 76068864 WOMMHKYKCRDEEC-GFCCVEGCSA-N 347.484 4.037 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@@H](C)OCC)n2)c1C 79003948 WBKLIZBNRGXTFI-CYBMUJFWSA-N 335.473 4.002 0 40 EIAB COC[C@@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 79101192 NSHFJLMUQVJGHC-GOSISDBHSA-N 338.451 4.168 0 40 EIAB COc1ccc(CS(=O)(=O)[C@H](C)c2cccs2)c(Cl)c1 83992840 FEHJKJMBEBLSLM-SNVBAGLBSA-N 330.858 4.086 0 40 EIAB CC(C)(C)C(=O)c1cc(Br)c(O)c(Br)c1 88120936 XXXJDWCPUPQKEY-UHFFFAOYSA-N 336.023 4.146 0 40 EIAB O=Cc1ccc(OCc2nc(-c3cc(Cl)ccc3Cl)no2)cc1 89262934 XGGFOQWNEQIRTL-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB CCC[C@]1(C(F)(F)F)CCCN1C(=O)[C@@H](C)Oc1ccccc1 89949913 MIRZNFXNRJKJHQ-CZUORRHYSA-N 329.362 4.178 0 40 EIAB Clc1cccc(Cc2noc(-c3csc([C@@H]4CCCO4)n3)n2)c1 95439316 INXFNGJWDWFVIM-ZDUSSCGKSA-N 347.827 4.289 0 40 EIAB CC(C)C[C@H]1SCC(O)=Nc2c1cnn2-c1nc2ccccc2[nH]1 95476463 UQRQYABHAPQKLL-CQSZACIVSA-N 341.440 4.171 0 40 EIAB COc1ccc([C@H](C)NCCOC2CCCCCC2)cc1NC(C)=O 95968164 NBQPNIDHAXMJDZ-HNNXBMFYSA-N 348.487 4.044 0 40 EIAB N=C1N=NC(=N)C1=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 96191561 WJWSEZBDJKRQPZ-UHFFFAOYSA-N 349.781 4.061 0 40 EIAB O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 96407216 DPRPQJGLCNGKOX-JKSUJKDBSA-N 349.421 4.019 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1 97098821 DUDVHJXUBHFRCL-KPZWWZAWSA-N 341.386 4.009 0 40 EIAB CN(C)C(=O)c1cccc(CNC2(c3ccc(Cl)cc3)CCC2)c1 104708130 OMALYPAYFKQLME-UHFFFAOYSA-N 342.870 4.211 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104811129 YUZFMXQYJUTJQR-GZIXRCOHSA-N 333.859 4.244 0 40 EIAB CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Cl)c1OC 107896820 HJRCCHWFTGBEJY-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB Cc1cccc([C@H]2N=C(C(C)(C)C)N=C2c2ccc3nccnc3c2)n1 108646664 DRUMOGFYOIKNRH-LJQANCHMSA-N 343.434 4.322 0 40 EIAB CCCCOc1cccc(C(=O)n2cc(C(=O)O)c3ccccc32)c1 216957337 KDSSEUSZDMNOAE-UHFFFAOYSA-N 337.375 4.207 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC(C)C)cc2)c1 218984338 NARABKMVIDABKB-UHFFFAOYSA-N 341.407 4.211 0 40 EIAB Cc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 222756440 KVEAIRQTKFGVHG-GOSISDBHSA-N 339.435 4.101 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3)o2)c1 224845110 LMNBCFHHHOFBEX-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB CC(C)(C)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264943 YSJRXUPLKSTHML-UHFFFAOYSA-N 327.815 4.412 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 225453440 CWNLKNWPBMKIPF-AWEZNQCLSA-N 341.480 4.332 0 40 EIAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c1 225798998 IXIGIMNTDHMMNP-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NCCCc2ccco2)c1 225804558 XVGZBAQREFGKJD-UHFFFAOYSA-N 328.359 4.218 0 40 EIAB CCN(C(=O)c1ccc(-c2ccc(OC)cc2N)o1)c1ccccc1 226303813 QINVGTSZZUAQFM-UHFFFAOYSA-N 336.391 4.204 0 40 EIAB O=C(c1cc(C2CCCCC2)no1)N1CCC[C@H](c2nccs2)C1 257292597 QMGCNSUMHVGGJE-AWEZNQCLSA-N 345.468 4.199 0 40 EIAB COc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3C)no2)C1 257329000 XHYVPOFZRZOPQE-KRWDZBQOSA-N 349.434 4.043 0 40 EIAB O=C1CCC(C=NNc2ccccc2)=C(Cl)N1c1ccccc1 257353912 UONAOLFJFMHXLC-UHFFFAOYSA-N 325.799 4.362 0 40 EIAB Cc1ncsc1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 390835667 UPTJOMGGBJIQEY-UHFFFAOYSA-N 347.346 4.169 0 40 EIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](COc2ccncc2)C1 1775971032 LXVHGLPTUFFEKS-CQSZACIVSA-N 345.830 4.058 0 40 EIAB CC(C)c1nccn1CC1CN(Cc2cccc(C(F)(F)F)c2)C1 2087138018 YERNPDQWVRFSRP-UHFFFAOYSA-N 337.389 4.157 0 40 EIAB CC(C)c1nccn1CC1CN(c2ccc3cc(Cl)ccc3n2)C1 2087147930 WXEBCYGJQJZUQO-UHFFFAOYSA-N 340.858 4.345 0 40 EIAB COc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 104897 RIMHUSYAFMOAAW-UHFFFAOYSA-N 330.434 4.036 0 40 EIAB CCc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 248236 BGIJKXNPYKVRMD-LJQANCHMSA-N 344.499 4.299 0 40 EIAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1cc(C)on1 413184 PRVMWXMNCNLPPP-UHFFFAOYSA-N 341.436 4.133 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 533646 VEULLLNZXWXERE-DYVFJYSZSA-N 342.395 4.100 0 40 EIAB CC(C)N(Cc1ccccc1)C(=O)c1ccccc1Br 1230663 NHXZKFPAKHXJDK-UHFFFAOYSA-N 332.241 4.500 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccc(F)cc2s1 3538498 WNJDXMPCRLTQLY-UHFFFAOYSA-N 339.395 4.488 0 40 EIAB CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1cccc(C)c1 4062584 YQKXTSVUJMBKBN-UHFFFAOYSA-N 334.419 4.031 0 40 EIAB C[C@@]12COc3ccc4ccccc4c3[C@@H]1c1sc(=O)[nH]c1SC2 4337611 MVCHNDAEFUUZBT-KDOFPFPSSA-N 341.457 4.226 0 40 EIAB CC[C@]1(O)CCC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4683794 XFKKWOBQJWQESO-GMYACPRTSA-N 346.511 4.308 0 40 EIAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 4696246 GXHSGMWKHNNUDZ-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc21 5207946 RROJDTOHEKUTNC-UHFFFAOYSA-N 342.406 4.120 0 40 EIAB O=C1NC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1 5292651 FUTGVAQLCIIIED-UHFFFAOYSA-N 334.419 4.108 0 40 EIAB CC(C)(C)OC(=O)[C@H](c1ccccc1)[C@@H](CC(=O)O)c1ccccc1 5379726 XGLBLPALHYSNIK-PKOBYXMFSA-N 340.419 4.370 0 40 EIAB CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 5482040 FKZCMTLECRMOBN-HNNXBMFYSA-N 344.842 4.253 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 6010582 QCMVAICAEWYSDB-OAHLLOKOSA-N 333.387 4.448 0 40 EIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N(C)c1ccccc1 6506235 YYICZWUQUAQBKX-NSHDSACASA-N 345.855 4.360 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1ccc(F)c(F)c1 6618666 NUQBVQNNXJYTRL-UHFFFAOYSA-N 335.350 4.161 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)Cc2c(Cl)cccc2Cl)cc1 6787750 IQAXOVTWJGASBM-UHFFFAOYSA-N 344.263 4.123 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1nc(-c2ccncc2)cs1 6830357 MFGRJJFHPIQYGH-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB O=C(Nc1ccc(Br)cn1)C1(c2ccccc2)CCCC1 6898785 AMCYBHHHIBSRKW-UHFFFAOYSA-N 345.240 4.295 0 40 EIAB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1C1CC1 7575364 BCRBMGJEBMLNNX-UHFFFAOYSA-N 337.828 4.194 0 40 EIAB Cc1nn2c(nc(N(C)Cc3ccccc3)c3ccccc32)c1Cl 7736634 YCWHQRHWLDKBEF-UHFFFAOYSA-N 336.826 4.481 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 7755909 OBTHODSTBWZTSY-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(F)c(F)c1 7903217 OWAOKXVUAJZFIL-SECBINFHSA-N 349.406 4.132 0 40 EIAB Cc1cccc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3ccccc3)nc12 8471952 NUTSGZWSCIOPTP-KRWDZBQOSA-N 346.430 4.119 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)OCCCO2 9077119 ZCVHGXRQVMOWOD-LJQANCHMSA-N 340.423 4.367 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 9113061 OAXQCOWUEQQVHE-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 9259260 UNDXRXDFBJSZGO-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccno3)nc12 10254149 ARUOLQDAWAPERP-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB CN(Cc1ccc(OC2CCCC2)cc1)Cc1n[nH]c2c1CCCC2 12147153 QQQIBKGGJQLGTL-UHFFFAOYSA-N 339.483 4.242 0 40 EIAB CCOc1ncccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 12976678 YBYALGCGCXKVPW-CQSZACIVSA-N 348.855 4.101 0 40 EIAB CCc1ccc([C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1 12981676 CELPHEWNUJJVSS-FQEVSTJZSA-N 348.446 4.218 0 40 EIAB Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c(Cl)c1 12996708 CWHBBTIAXAAXGL-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13708760 BBSHNHWZEDVNPD-MRXNPFEDSA-N 349.430 4.274 0 40 EIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 17042519 RJACRQDNMBJSRF-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB Fc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1F 19346903 RGAIAOHIKMADSY-OAHLLOKOSA-N 327.378 4.221 0 40 EIAB Fc1ccccc1CNc1ccc(I)cc1 20360955 HZUPTQRQTDLYDC-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1Nc1ccccc1F 22072169 SJKCIANUPUBZIH-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1noc(COC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 23373898 AAZKQADEWPDSTH-UHFFFAOYSA-N 343.191 4.257 0 40 EIAB CC(C)c1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 23384060 QNOCSVGJWVADPT-NRFANRHFSA-N 337.463 4.396 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CCC2 23951917 QLEDAKIRZVABDL-GFCCVEGCSA-N 336.391 4.079 0 40 EIAB O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cccc2ccccc12 28074342 FWYDSGLISKZDDH-NRFANRHFSA-N 330.431 4.443 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29482830 GWWIUPIZRBBSFT-HXUWFJFHSA-N 336.479 4.369 0 40 EIAB CCCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 30755514 ZAIAQABCLUQFOS-UHFFFAOYSA-N 329.465 4.388 0 40 EIAB O=C(Nc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 39758262 WVBWWUOYELVSPR-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H]1CCCc2ccccc21 40142875 PIMYGBOAULMWNQ-QGZVFWFLSA-N 325.456 4.062 0 40 EIAB O=C(NCc1ccncc1)c1cc2sccc2n1Cc1ccccc1 40787155 ODJVLJJNIFGUPS-UHFFFAOYSA-N 347.443 4.076 0 40 EIAB Cc1c([C@@H](C)NC(=O)/C=C/c2cccc(-c3ccccc3)c2)cnn1C 58097766 MXAPQDMTCVVRCO-CJTWTEFWSA-N 345.446 4.286 0 40 EIAB CN(Cc1cscn1)C(=O)Cc1coc2ccc3ccccc3c12 65475763 PVHSILINKDNUJB-UHFFFAOYSA-N 336.416 4.244 0 40 EIAB O=C(c1ccccc1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 69662587 NTVVUVFLWSQBOP-UHFFFAOYSA-N 349.459 4.225 0 40 EIAB CC(C)c1noc(-c2ccc(NC(=O)[C@H](C)OC3CCCC3)cc2)n1 70816847 ZHFLYOZDWRAGSD-ZDUSSCGKSA-N 343.427 4.146 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(F)cc1Cl 72331737 HKVGVPKYOPTVHY-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB CC(C)Oc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2F)cc1 73924082 WXZZWUPCXLOSMK-RBUKOAKNSA-N 341.426 4.075 0 40 EIAB C[C@@H](NC(=O)CCc1cscn1)c1ccc(-c2cccnc2)cc1 75091952 WRKKWDBIYNKWMB-CQSZACIVSA-N 337.448 4.015 0 40 EIAB Cc1ccc(C)c(SCC(=O)N[C@@H](C)CC(=O)c2cccs2)c1 89626326 OUAZZGPAXBJHDS-AWEZNQCLSA-N 347.505 4.235 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccncc1)N[C@@H]1CCCc2occc21 89827672 BMNAFHZMYQFYJH-QUCCMNQESA-N 347.418 4.141 0 40 EIAB C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1 95428097 NUANBCPFAZCTBF-SPSFWMDKSA-N 346.839 4.400 0 40 EIAB C[C@@]1(CCCO)CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 95455383 RZQYQLAYMSKQIN-HNNXBMFYSA-N 331.243 4.152 0 40 EIAB CC(C)c1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCC2 95479124 UPKLSJUDHMRNPI-UHFFFAOYSA-N 327.862 4.117 0 40 EIAB CCO[C@@H](C)c1nc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cs1 96416441 IYCADFIYQKBQHT-LSDHHAIUSA-N 344.480 4.179 0 40 EIAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 101276777 AQAHIBGONOLWJH-INIZCTEOSA-N 342.826 4.009 0 40 EIAB CSc1ccsc1C(=O)Nc1nc(Cc2ccccc2)ns1 107198245 IBTXRUFTYAKHFA-UHFFFAOYSA-N 347.490 4.165 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(Cl)cc1 113970620 CHHYDPDVGJHBLP-SFHVURJKSA-N 331.843 4.431 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C)cc1 113970850 NYELTYMWHKZJHA-SFHVURJKSA-N 331.843 4.431 0 40 EIAB Cc1ccc(CC(=O)NCCCc2cccc(OC(C)C)c2)cc1C 218806592 HFEZVCIGNFTGAN-UHFFFAOYSA-N 339.479 4.382 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2C)cc1 218981977 ZXOSXIDQQQCYJT-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 219065609 YTLHXUNIXXWXQY-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2C)cc1C 223398263 QYRSKCFDRUCHFI-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccco1 223427254 MFYWTZVCVRQPDS-HXUWFJFHSA-N 341.451 4.065 0 40 EIAB CCOCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OCC 224693011 OZPFIXNHBAQOHL-OAHLLOKOSA-N 327.424 4.113 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1OC 224852377 IQKBKFQJVYTKAE-XJKSGUPXSA-N 347.842 4.383 0 40 EIAB Cc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1N1CCCC1=O 225328431 YZYPUZROLHRXCU-UHFFFAOYSA-N 347.528 4.089 0 40 EIAB CCCCCC(=O)Nc1cc(Br)c2nc(N)sc2c1 226308794 VCGIOYSKRRBZGI-UHFFFAOYSA-N 342.262 4.160 0 40 EIAB O=C(Nc1ccccc1)[C@H](c1ccccc1)n1cnc2ccccc21 408734001 BXNHROFOPBFEHO-FQEVSTJZSA-N 327.387 4.264 0 40 EIAB O=C(c1cccc2nccnc12)N1CC2(CCCC2)c2c(F)cccc21 544428390 AZTRFLMPBMUYOP-UHFFFAOYSA-N 347.393 4.241 0 40 EIAB O=C(N[C@@H]1CCC12CCOCC2)C1(c2ccc(Cl)cc2)CCCC1 585408976 KZXVGUGOIAEMHH-QGZVFWFLSA-N 347.886 4.227 0 40 EIAB CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 1126868153 AFFOYJFRPFGCBX-JOCHJYFZSA-N 348.490 4.301 0 40 EIAB O=C1O[C@]2(CCCN(C3CCCC3)CC2)CN1c1ccc(Cl)cc1 2037838742 ZIDGJRMNMCGACM-IBGZPJMESA-N 348.874 4.464 0 40 EIAB O=C(Cc1ccccc1)N1CCN=C1SCc1cccc(Cl)c1 244597 HHHADLGSKIUZTM-UHFFFAOYSA-N 344.867 4.014 0 40 EIAB Cc1cc(C)c2c(N)c(C(=O)Nc3c(C)cccc3C)sc2n1 422676 XAOCLDWSQFKHJG-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB CCCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21 531633 KRQFYKXWDDWRPV-UHFFFAOYSA-N 325.412 4.076 0 40 EIAB CC(C)N[C@@H]1C2CCC(CC2)[C@]1(O)c1ccc(Cl)c(Cl)c1 1693022 MQILJMOEUMZBHK-UADMCSNRSA-N 328.283 4.368 0 40 EIAB in-man Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1Cl 1961918 DKSKFRBWXXLSKP-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCCC1 3211536 GCGQKWVEEUIHKE-YOEHRIQHSA-N 329.469 4.095 0 40 EIAB Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1C1CC1 3490773 XNURURSOMMZZKL-UHFFFAOYSA-N 337.448 4.358 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@@H]1[C@H]2C 4028054 ABFSDSQOZYJGJO-HOXSDCPRSA-N 347.455 4.320 0 40 EIAB CC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2 4341914 BTQSVGBEKAQDLP-UHFFFAOYSA-N 341.436 4.383 0 40 EIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 4910467 RUFFONXICZLGLD-HNNXBMFYSA-N 325.408 4.193 0 40 EIAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136399 OYQWWDXZTMJLFL-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1 5527141 JYAFJHGYZPRTEA-KPKJPENVSA-N 336.416 4.471 0 40 EIAB Cc1csc(NC(=O)COc2ccc(Nc3ccccc3)cc2)n1 5934219 KNLGSYRKCKOTBT-UHFFFAOYSA-N 339.420 4.213 0 40 EIAB O=C(Nc1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccccc1 6829418 UFJQAMVSMPWXNH-UHFFFAOYSA-N 334.350 4.330 0 40 EIAB O=C(CNc1ccc(Br)cc1)Nc1cccc(Cl)c1 6923081 GPRBEHFQPWSUKU-UHFFFAOYSA-N 339.620 4.153 0 40 EIAB CCOc1ccc(Oc2ccc(NC(=O)c3cnc(C)cn3)cc2)cc1 6948861 JWJSWELEWYVYHB-UHFFFAOYSA-N 349.390 4.228 0 40 EIAB O=C1CCCN1c1ccc(OCc2coc(-c3cccs3)n2)cc1 7063324 APXWNHVJAZCGPA-UHFFFAOYSA-N 340.404 4.109 0 40 EIAB Cc1ccn2cc(C(=O)Nc3ccccc3Cc3ccccc3)nc2c1 7286580 CJJZGTSLQIDRJP-UHFFFAOYSA-N 341.414 4.486 0 40 EIAB O=C(CCCOc1ccccc1)N[C@@H]1CCSc2ccccc21 7777354 PLFCPMNFUCQPSC-QGZVFWFLSA-N 327.449 4.199 0 40 EIAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)cc1F 8034161 TYFGUPYZBJUTLS-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB CC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 9379213 FKHNUXLSDGBWPS-ZDUSSCGKSA-N 336.395 4.177 0 40 EIAB O=C(/C=C/c1ccc(Br)cc1)N1CCc2sccc2C1 10922767 WUOYVJDMKKEORD-ZZXKWVIFSA-N 348.265 4.109 0 40 EIAB COc1ccc(NC(=O)c2sc(-n3cccc3)nc2C)cc1Cl 11865873 GVPRPJNWRZQIEY-UHFFFAOYSA-N 347.827 4.157 0 40 EIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1 12062532 NQKSPGVOQULDSC-UHFFFAOYSA-N 337.379 4.086 0 40 EIAB CC(C)n1cc(C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 12162114 RFPICSVUKAMLRD-FYQPLNBISA-N 337.467 4.166 0 40 EIAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(C)(C)C)cc1 12528244 NAIJMTWOOLCBPI-IBGZPJMESA-N 338.451 4.197 0 40 EIAB CCCCN(C)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 12742350 NRYIZJDUHGXOHH-UHFFFAOYSA-N 341.411 4.280 0 40 EIAB Cc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 12860348 YYGBIAMHYAXHRW-UHFFFAOYSA-N 334.423 4.119 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3F)cc2)cs1 12977285 YUAHIERDQPSTHG-UHFFFAOYSA-N 344.386 4.327 0 40 EIAB CC[C@H]1c2ccsc2CCN1Cc1cc2c(cc1OC)OCCO2 14000102 TUFSCPJVFPQAKL-HNNXBMFYSA-N 345.464 4.037 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3ccsc3)n2)cc1 14180541 IIAODHAOTGGZIE-UHFFFAOYSA-N 328.462 4.217 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC)cc1 20034917 CWCWJDJRGDWXPU-QGZVFWFLSA-N 347.842 4.165 0 40 EIAB CCOc1ccc(Br)cc1CNCCc1ccccc1 22074362 WVQYZTRMOIUQGC-UHFFFAOYSA-N 334.257 4.180 0 40 EIAB O=Cc1ccc(OCc2nc(-c3ccc(Cl)c(Cl)c3)no2)cc1 22120885 KQZKFAOXBSJPEV-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccn1 23484819 KVOADEZMPBMITP-INIZCTEOSA-N 347.443 4.186 0 40 EIAB COc1cccc(CSc2nnc3sc4ccccc4n23)c1 23560525 HERALYGNJOPRPQ-UHFFFAOYSA-N 327.434 4.245 0 40 EIAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCCC5)(C4)C2)C3)cc1 24583498 PECQJEVHOKDVKR-RGMRCXJASA-N 339.479 4.156 0 40 EIAB CN(C(=O)CCc1nc2ccccc2s1)[C@H]1CCc2ccccc21 24828263 OURISJCBOWEIMG-KRWDZBQOSA-N 336.460 4.375 0 40 EIAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1ccc(F)cc1 25372702 PDFVMKTWMMUXKA-LBPRGKRZSA-N 345.848 4.066 0 40 EIAB Cc1c(C(=O)Nc2cccc3ncccc23)cnn1-c1ccccc1F 26236378 OEDOAOLVOMCSCD-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)NCCc1ccc(Cl)cc1 29108506 BSUJIOWACFVODC-UHFFFAOYSA-N 346.839 4.337 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1cc(-c2cccc(F)c2)no1 32833091 ZUCSWEKZXYPROL-UHFFFAOYSA-N 339.351 4.343 0 40 EIAB COc1cccc(CC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1 33497481 YTYSCIUVHMIVAB-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB S=C1NC(c2ccccc2)=C[C@@H](c2cccc(Br)c2)N1 35023138 ZXIIKLGVYICOOS-HNNXBMFYSA-N 345.265 4.009 0 40 EIAB Cc1cccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c1C 35616326 HGPSVIYYOLRWNK-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB CC(=O)c1c(C)cc(C)c(COc2ccc(Cl)cc2C(N)=O)c1C 36648496 LSZHDQJFMGKKAE-UHFFFAOYSA-N 345.826 4.146 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 38772460 XJZUDDPLFHGFTC-HUUCEWRRSA-N 329.465 4.194 0 40 EIAB Cc1n[nH]c2c1[C@H](c1cccc(OC3CCCC3)c1)SCC(O)=N2 44893183 KALHOMABPLBVOZ-KRWDZBQOSA-N 343.452 4.464 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(OC)cc1 44945853 NFDZGYRNXAGZCX-HNAYVOBHSA-N 341.451 4.292 0 40 EIAB O=C(CNCc1ccccc1)Nc1ccccc1Cc1ccccc1 58160872 XARQNRJOQZFAPJ-UHFFFAOYSA-N 330.431 4.006 0 40 EIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 58161095 KTMIAAHNVOOMBQ-ZDUSSCGKSA-N 328.418 4.394 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 58231033 CANUIGALHIAZRZ-CRAIPNDOSA-N 337.467 4.144 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1C 60141344 LWEPJUBGUPWONF-INIZCTEOSA-N 332.444 4.032 0 40 EIAB C[C@@H]1CN(c2ccccc2NC(=O)CC(C2CC2)C2CC2)C[C@@H](C)O1 65066864 KRGPCFNUOAAMTL-HUUCEWRRSA-N 342.483 4.065 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1C 65564861 IMRQNUZNEPQGAO-UHFFFAOYSA-N 349.434 4.016 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1OC 71279259 UKUDAPYBJBICNC-AWEZNQCLSA-N 341.411 4.139 0 40 EIAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c(OC)c1 71287027 BZPPNUGPHALUDP-OAHLLOKOSA-N 347.440 4.073 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCCCC1 72216138 XCWWCXHAOVZFFA-HXUWFJFHSA-N 349.478 4.439 0 40 EIAB Cc1cc(N2CCc3ccccc3C2)ncc1[C@@H](O)c1ccccc1 72223894 VACZFGWRMSFLDV-QFIPXVFZSA-N 330.431 4.034 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)N1CC[C@@H]1Cc1ccccc1 72311739 GRVUBYRKRNDGTC-QFBILLFUSA-N 325.477 4.152 0 40 EIAB COc1cccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 72332442 NLKVUNQWEWGQCC-OALUTQOASA-N 334.423 4.050 0 40 EIAB CCCc1ccc2[nH]c(=O)c(CNc3ccc(OCC)cc3)cc2c1 72396081 FJBWAIDMPGKGMI-UHFFFAOYSA-N 336.435 4.491 0 40 EIAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cccs2)C1 75165880 CKLXUCIFHRVCAK-CABCVRRESA-N 344.436 4.038 0 40 EIAB Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2ccncc2)cc1 78552700 VZGIYBDCZCUQDQ-HXUWFJFHSA-N 346.409 4.102 0 40 EIAB Cc1nnc(CN(Cc2cc3ccccc3nc2Cl)C(C)(C)C)o1 79111130 NUSGONWAOHADET-UHFFFAOYSA-N 344.846 4.380 0 40 EIAB CC(C)Oc1ccc(NC(=O)NCc2cc(C(C)C)no2)c(F)c1 79350462 FCPQJCWYINJFCN-UHFFFAOYSA-N 335.379 4.046 0 40 EIAB CCN1CCC(CNC(=O)C2(c3cccc(C)c3)CCCCC2)CC1 89977187 ANFIXENQSSFSCK-UHFFFAOYSA-N 342.527 4.045 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)c2ccsc2)o1 95944859 IDQAUDYJPYIWOY-CJNGLKHVSA-N 348.468 4.138 0 40 EIAB CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 96472867 IAIVIHICENFDMW-MSOLQXFVSA-N 347.393 4.049 0 40 EIAB COc1ccc(NC(C)=O)cc1NCc1cc2cc(F)ccc2o1 96482728 MOAMQVCJBITIOG-UHFFFAOYSA-N 328.343 4.151 0 40 EIAB C/C(=C\C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1F 98042642 FVHNMINOMGOQPX-SDNWHVSQSA-N 349.365 4.450 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)c(C)c1 102988688 OZIXVBVGNNNRFO-CPLUKWAASA-N 333.431 4.095 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(OC(C)C)c1 113954182 CNLMFETYCSMDOW-LJQANCHMSA-N 341.451 4.256 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 222762509 NEVDWKZUBDPGHY-GOSISDBHSA-N 339.435 4.101 0 40 EIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1 223120511 ABKGJNCWUPJIEQ-MSOLQXFVSA-N 340.496 4.023 0 40 EIAB CC(C)Oc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 223196935 FKFKDRBHUDPWHN-UHFFFAOYSA-N 339.435 4.370 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)CSc1ccccc1 223745708 BIRBYMIDJZMDLP-UHFFFAOYSA-N 329.465 4.097 0 40 EIAB Cc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1 225237392 YWKYZXLXTIFYCL-CPNJWEJPSA-N 349.459 4.069 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 225299057 JJVRVKXYVMJKIF-MRXNPFEDSA-N 325.452 4.204 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3F)s2)cc1 225300089 ZKRSWRKIMWVSHE-UHFFFAOYSA-N 341.411 4.224 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1ccccc1F 225395754 UERVPPHPUFFFHR-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccccc1 225494124 BHKKTSBLUDPOMM-QGZVFWFLSA-N 337.463 4.082 0 40 EIAB COc1cccnc1NC(=S)N[C@@H](CC(C)C)c1ccccc1 225496435 HTTLKNRPDHEJKW-HNNXBMFYSA-N 329.469 4.164 0 40 EIAB CCOc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225862337 ILSIUNLYOPRHHK-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB CCN(C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 245318982 YOJGDBUKZJWVEZ-XLBJILASSA-N 337.548 4.233 0 40 EIAB COC(=O)CCC[C@@H]1Cc2ccc(C)cc2N(C(=O)OC(C)(C)C)C1 256051312 IQEBTNAMNCJMJT-OAHLLOKOSA-N 347.455 4.252 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](Cc3cncc4ccccc34)CC2)no1 257281539 OPRRKHZIQOBYBL-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@H](C)c3ccccc32)c1 551402591 ODYYKFWSJQTBQO-NSHDSACASA-N 343.814 4.454 0 40 EIAB Brc1cnc(NCc2cc(-c3ccoc3)cs2)nc1 1775971071 VLQXCTIBWVVOIX-UHFFFAOYSA-N 336.214 4.173 0 40 EIAB COc1ccccc1-c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1 423728 KZCJHCSOSNWZJP-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)O1 430606 CHVZIDKQOAYVQB-RIYZIHGNSA-N 348.185 4.347 0 40 EIAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3)n2N)cc1 1789687 IYDYDVPXXIFZTA-UHFFFAOYSA-N 338.480 4.249 0 40 EIAB Cc1ccc(C)c(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 3015076 NDJYXCSCPXKVBE-BOPFTXTBSA-N 338.432 4.409 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 3443697 XBXHQSAQPVREPA-VIFPVBQESA-N 343.732 4.472 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)CSc3ccccc3)o2)c1 4496662 BPRRDVTZUREDTJ-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)c2ccc(C)cc2)o1 5240161 LKBFCMVWWCRTFT-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB Cc1ccccc1-c1nnc(SCc2cn3cccc(C)c3n2)o1 5434794 RLTZFOKWMYTKOH-UHFFFAOYSA-N 336.420 4.293 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)c1ccccc1C(F)(F)F 6342564 LGMSOHLIUNNJKR-UHFFFAOYSA-N 326.343 4.293 0 40 EIAB O=C1C(=O)N(Cc2ccc(Cl)cc2)c2c1cccc2C(F)(F)F 6756268 VWDNAJVISFIEHY-UHFFFAOYSA-N 339.700 4.088 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 6919775 JHVQUIMLCZXUTO-CYBMUJFWSA-N 339.460 4.497 0 40 EIAB Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc(C)s3)n2)cc1 7392858 PWWKTUDMFMIZOF-UHFFFAOYSA-N 329.450 4.125 0 40 EIAB O=C(NCCSc1ccccc1)c1ccc(N2CCCCC2)cc1 7504943 XADUWFQJOWHQLU-UHFFFAOYSA-N 340.492 4.199 0 40 EIAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 7509661 RZYDOXHHNNKPLX-GFCCVEGCSA-N 332.359 4.077 0 40 EIAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccc(F)cc3)o2)cc1 7541090 DXKSNQHSLNEPAP-CQSZACIVSA-N 325.383 4.429 0 40 EIAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C 7915153 GCHPRSGTSWOBGM-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 8772565 KLXCFSUIZYFSHP-UHFFFAOYSA-N 342.424 4.186 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1c(F)cccc1F 9723484 UGUZGLMFAGVPAP-UHFFFAOYSA-N 327.330 4.381 0 40 EIAB O=C(CSCc1nc2ccccc2s1)Nc1ccccc1F 11101956 KDQMORQYWQXEOB-UHFFFAOYSA-N 332.425 4.307 0 40 EIAB CC[C@H](C)C(=O)N1CCc2cc(-c3cn4cc(C)ccc4n3)ccc21 12088191 UKOGUUMBKGPBJB-HNNXBMFYSA-N 333.435 4.245 0 40 EIAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(OC(F)F)c1 12757567 OUJGDSNQYIIIJL-UHFFFAOYSA-N 338.379 4.266 0 40 EIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCC2)cc1 12789913 AEKZVCAUESIMLG-UHFFFAOYSA-N 336.435 4.054 0 40 EIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(Cl)c1 13063274 WOLWFJZQOQNREZ-LLVKDONJSA-N 335.234 4.383 0 40 EIAB CCOc1ccccc1NC(=S)N[C@H]1CCCc2ccccc21 13823399 JDEUADWITJLOCN-INIZCTEOSA-N 326.465 4.449 0 40 EIAB Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1Cl 14229422 OJJJVBJNDTZKNM-AWEZNQCLSA-N 342.826 4.178 0 40 EIAB O=C(c1ccccc1OC(F)F)n1cccc/c1=N\C1CCCCC1 14903750 BCCPVUMTSZIWPC-OQKWZONESA-N 346.377 4.011 0 40 EIAB Cc1ccc(-c2noc(CN(Cc3ccccc3F)C3CC3)n2)cc1 16395512 XQEUVEUOHPOJPB-UHFFFAOYSA-N 337.398 4.349 0 40 EIAB CCSc1nnc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)s1 16706198 GMKDUFIKYPZYAJ-JTAJDHSHSA-N 335.454 4.018 0 40 EIAB CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 16841540 DRVUYCRZMVAMFM-UHFFFAOYSA-N 347.443 4.162 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)C(C)C)cc1 19310875 ZHTJOPQMZDNLLZ-JXFKEZNVSA-N 341.451 4.284 0 40 EIAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20141652 MSUJPTCEMDQOPQ-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1ccco1 20729280 UCFGXEOUBISUKV-UHFFFAOYSA-N 339.738 4.389 0 40 EIAB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccncc1 27403819 RJBMWWGUHWNSAQ-INIZCTEOSA-N 332.403 4.152 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 28292902 QKZFGBGPFOTDAB-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 29762069 OOOSTLCRLKWKHA-UHFFFAOYSA-N 348.805 4.117 0 40 EIAB COc1ccc(CN[C@H](C)c2ccccc2Br)cc1O 34992203 BHYTXCUGIYWDOX-LLVKDONJSA-N 336.229 4.014 0 40 EIAB Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3F)CC1)O2 39227038 PFBZUPQHXIUNRG-UHFFFAOYSA-N 339.410 4.134 0 40 EIAB COC(=O)c1cccc(NC(=O)c2ccccc2SC(C)C)c1 44674804 CQOUNYVFBBZAED-UHFFFAOYSA-N 329.421 4.226 0 40 EIAB Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccccc3)cs2)cc1 45295254 JYQUFJWAXIHLBP-UHFFFAOYSA-N 343.473 4.234 0 40 EIAB COc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 49929294 GYPDFSIWTGCYKQ-HNNXBMFYSA-N 338.432 4.282 0 40 EIAB CCCCN(CCCC)Cc1ccc([C@@H]2C[C@H](C(=O)O)CC2=O)cc1 57327810 SDTONHOWMYEACA-OALUTQOASA-N 345.483 4.236 0 40 EIAB CCc1ccc2oc(Nc3nc4c(N)cc(OC)cc4s3)nc2c1 57352571 HNIJRPASHMJGLR-UHFFFAOYSA-N 340.408 4.334 0 40 EIAB CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2F)c1 71902611 MQQRXZKTGCRDIP-RYUDHWBXSA-N 334.366 4.111 0 40 EIAB Cc1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1C 72229506 IFSQYIPSFLQJCI-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB C[C@@H](NC(=O)c1cccnc1SC1CCCC1)c1ccccn1 77561003 DDOIOLVZBNZNLF-CYBMUJFWSA-N 327.453 4.002 0 40 EIAB Cc1c([C@H](C)NC(=O)N(C)Cc2nccs2)oc2ccc(F)cc12 78967800 CTNGWNNMKUNKOA-NSHDSACASA-N 347.415 4.239 0 40 EIAB CC(C)(C)c1cnc(CNc2ccc(C(=O)NC3CC3)c(Cl)c2)o1 85273152 WWCUIUQZSSJDLS-UHFFFAOYSA-N 347.846 4.130 0 40 EIAB COc1ccccc1OCc1ccccc1NC(=O)NC1CC=CC1 95414226 CTHUOCXQOGUWKR-UHFFFAOYSA-N 338.407 4.114 0 40 EIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccccn1 95476775 MGAQZACKDRTMGR-MRXNPFEDSA-N 339.826 4.349 0 40 EIAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2ccccc2c1 102179304 MURSHOVUOUQSHH-JCGIZDLHSA-N 337.419 4.148 0 40 EIAB O=C(c1c(F)cccc1F)N1CCS[C@@H](c2cccs2)CC1 219479967 WMKUUULCSINFMV-CQSZACIVSA-N 339.432 4.347 0 40 EIAB CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223170676 NRSHHRFZURVMSY-KRWDZBQOSA-N 337.463 4.381 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2ccccc2C1 224585767 IGONSTLIWPJLJC-QFIPXVFZSA-N 349.474 4.308 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 225639492 MXJKBWYHVLJQHW-UHFFFAOYSA-N 341.432 4.212 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(C)c(C)c1 225712967 HYRWDAYTGZZUOO-MRXNPFEDSA-N 329.469 4.145 0 40 EIAB CCN(Cc1ccc(Cl)cc1)C(=O)NC1CCC(F)(F)CC1 535649105 AQIZCJYQXKWPKE-UHFFFAOYSA-N 330.806 4.449 0 40 EIAB CC[C@@H](NC(=O)c1cc(O)nc(C2CC2)c1)c1ccc(Cl)s1 548432143 DJMMKSYMESBXBE-LLVKDONJSA-N 336.844 4.261 0 40 EIAB O=C(NCc1cccs1)NC[C@@H](c1ccsc1)c1ccco1 618257159 SQAYSDHPUBSGRD-AWEZNQCLSA-N 332.450 4.034 0 40 EIAB c1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CCC3)=N2)cc1 1857791455 VMMCVSNWSKPHPC-RTBURBONSA-N 346.430 4.497 0 40 EIAB CC(C)CC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037978402 UYKGLHXOXXGEQQ-QAPCUYQASA-N 332.463 4.078 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)OCCCCCC(=O)O)ccc2c1 2060999997 MHGQKIBNXNVVHM-CQSZACIVSA-N 344.407 4.140 0 40 EIAB CCOc1ccc(Cl)cc1/C=C1/N=C(c2ccccc2)OC1=O 382957 IFXYFWOOKKFKHH-RVDMUPIBSA-N 327.767 4.083 0 40 EIAB COc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 411805 YHWFSTLNMBCSSZ-UHFFFAOYSA-N 333.387 4.380 0 40 EIAB CCC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 552560 WJYPWBGNQXSGGQ-INIZCTEOSA-N 327.815 4.488 0 40 EIAB Cc1ccc(C)c(NC(=O)COc2ccc(Br)c(C)c2)c1 577761 ZABKREHSLOXDFA-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 971727 AVZFIBYJGWVKIB-UHFFFAOYSA-N 346.814 4.283 0 40 EIAB O=C(CCCSc1nc2ccccc2s1)Nc1nccs1 2661068 WUNSVHFPHGYVBZ-UHFFFAOYSA-N 335.479 4.264 0 40 EIAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccc2ccccc2c1 3234562 WCDSGFKDSRAAQI-DHZHZOJOSA-N 349.361 4.174 0 40 EIAB CSc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 3561848 JVNPWRGLOOQLMD-UHFFFAOYSA-N 336.254 4.352 0 40 EIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1F 4033082 MGEMXJLSGMFTSV-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB COc1ccc(-c2cc3ccc(OC(=O)C(C)C)cc3oc2=O)cc1 4340125 ICSNKYVXOCZNFO-UHFFFAOYSA-N 338.359 4.030 0 40 EIAB biogenic CCCCN(C)C(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 4373937 UDMNYSSAQCPOKK-FBMGVBCBSA-N 328.500 4.060 0 40 EIAB CCCCCCNC(=O)c1cccc(C(=O)NCCCCCC)c1 5329084 KYMPRGJJEQANIG-UHFFFAOYSA-N 332.488 4.307 0 40 EIAB COc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 5361621 DUPSQCUKJBFZQZ-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB c1ccc(Nc2nnc(CSc3nc4ccccc4[nH]3)s2)cc1 5614814 QLSTUBLCVIAHIX-UHFFFAOYSA-N 339.449 4.450 0 40 EIAB CC[C@@H]1CCCN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 5719046 DAEXSSOBURHTQY-CYJPLVAVSA-N 349.559 4.092 0 40 EIAB FC(F)(F)c1cnc([C@@H](c2ccccc2)c2nc[nH]n2)c(Cl)c1 6530150 HRPDXGVJRGAGTJ-GFCCVEGCSA-N 338.720 4.052 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CS[C@H](C)c2ccccc2)cc1 7210790 WKVHBJPNEGXQPH-CYBMUJFWSA-N 328.437 4.078 0 40 EIAB Cc1ccc(NC(=O)CNc2cccc(C)c2C)c(Br)c1 7953705 CCIVUHTXIJSMOU-UHFFFAOYSA-N 347.256 4.425 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1Cl 8034413 ZMURTIYMRLJAOE-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c2ccccc12 8715001 GFARIRSGCAWQSF-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB CC[C@@H]1CCCCN1Cc1c(C)nc2c(OC)ccc(OC)c2c1O 8717351 SQRGGYCQLWZVPR-CQSZACIVSA-N 344.455 4.031 0 40 EIAB Cc1nc(C)c(C(=O)OCc2csc(-c3ccccc3)n2)s1 10142451 YLFRATAZRUCXKO-UHFFFAOYSA-N 330.434 4.240 0 40 EIAB Cc1ccccc1-n1nc(CSc2nc3ccccc3o2)cc1O 10157393 SSYPGLHQZYWNGP-UHFFFAOYSA-N 337.404 4.320 0 40 EIAB O=C(Nc1ccccc1Cl)c1ccc(N2CCCCC2=O)cc1 12621534 GIVBLRFTSLNDDQ-UHFFFAOYSA-N 328.799 4.109 0 40 EIAB CCCn1c(NC(=O)[C@@H]2Cc3ccccc3S2)nc2ccccc21 12804754 LOBHMWPKIMPHSE-KRWDZBQOSA-N 337.448 4.102 0 40 EIAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1 12910997 RBJSWHDOFHBLMF-GFCCVEGCSA-N 326.396 4.440 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C 12931588 QRKGVFFGJPGBNG-ZDUSSCGKSA-N 342.464 4.204 0 40 EIAB O=C(CSc1nc(CC2CCCC2)n[nH]1)c1ccc2c(c1)CCC2 12950336 HVZPFXDIHNSOGL-UHFFFAOYSA-N 341.480 4.001 0 40 EIAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccnc2)N3)C1 13217753 LXKUVRGEYJNUFE-MLGOLLRUSA-N 341.480 4.148 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1c(Cl)cccc1Cl 13265212 KBCZZGONNCEEMZ-APPDUMDISA-N 334.250 4.354 0 40 EIAB Cc1cc(Br)c(Nc2nc(Cl)ncc2F)cc1C 16267966 MUYZFHJDVLDPCF-UHFFFAOYSA-N 330.588 4.392 0 40 EIAB Cc1cc(C)cc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)c1 18203825 GVDFDKDEHCKXDH-AWEZNQCLSA-N 333.391 4.343 0 40 EIAB COP(=O)(OC)[C@@H](/C=C(\Cl)c1ccc(Cl)cc1)N(C)C 19593822 DHZCWIZTPPQFDC-SUIFULHWSA-N 338.171 4.293 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 20035652 GCMGWYOICAIORL-UXHICEINSA-N 341.451 4.429 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1OC 22531480 NRPNENUNVUUFIY-KBPBESRZSA-N 345.464 4.062 0 40 EIAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CNC(C)(C)C 32652001 GXMOPEOHGFAOLD-UHFFFAOYSA-N 330.472 4.002 0 40 EIAB CCC[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 32795335 GMCUPJKJDFOZFN-WMLDXEAASA-N 340.423 4.317 0 40 EIAB CCOC(=O)c1sc2nc(-c3ccccc3Cl)nc(C)c2c1N 35325016 VWPXQDUPSSVUDX-UHFFFAOYSA-N 347.827 4.079 0 40 EIAB CCOC(=O)c1ccc(C=C2CCN(C(=O)OC(C)(C)C)CC2)cc1 35995996 LWXMVKYCRJONBU-UHFFFAOYSA-N 345.439 4.278 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 36648574 SVNGYJZZRGEKIU-UHFFFAOYSA-N 347.374 4.281 0 40 EIAB COc1ccc([C@H]2CCN(C(=O)Cc3cccc4ccccc34)C2)cc1 38566609 JOOFTHTZEXKVGI-FQEVSTJZSA-N 345.442 4.407 0 40 EIAB c1ccc(CC[C@H]2CCCN2Cc2nc(-c3ccsc3)no2)cc1 40153650 QKXKKQYVASYSKK-QGZVFWFLSA-N 339.464 4.395 0 40 EIAB CCc1ccccc1C(=O)c1cccc(I)c1 43210153 UWOCGEIAOZKRQM-UHFFFAOYSA-N 336.172 4.085 0 40 EIAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 49004575 XJVPUWULUWXOTI-UHFFFAOYSA-N 346.434 4.226 0 40 EIAB CCN(CCC(F)(F)F)C(=O)CCc1nc2ccccc2s1 58333066 ZFNQIECIVWYDMA-UHFFFAOYSA-N 330.375 4.030 0 40 EIAB C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccnc1 65529178 GNCIDJLAWUQLBD-KRWDZBQOSA-N 346.430 4.065 0 40 EIAB CC(C)c1nc(CCNC(=O)c2ccccc2C(F)(F)F)cs1 69518632 HQBNKRAGYUDAEQ-UHFFFAOYSA-N 342.386 4.258 0 40 EIAB CN(C(=O)c1ccc(Br)s1)c1ccc2ccccc2n1 71911310 LOSGZUVDBGBWNL-UHFFFAOYSA-N 347.237 4.335 0 40 EIAB Cc1nc([C@H]2CCCN2C(=O)C2CCC(c3ccccc3)CC2)no1 76046556 VOSHPGKPWHWWLG-DAWZGUTISA-N 339.439 4.016 0 40 EIAB COc1ccc(-c2noc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)n2)cn1 77968001 IFWQTXUHUYKVOS-WDEREUQCSA-N 345.761 4.204 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(F)cc3)s2)cc1 82158175 GEVOORBDYYFJMP-IZZDOVSWSA-N 339.395 4.305 0 40 EIAB Cc1coc(-c2ccc(C)c(NC(=O)NCc3cccs3)c2)n1 84186158 WOCYKWHVMDLSEL-UHFFFAOYSA-N 327.409 4.342 0 40 EIAB C/C=C/CS(=O)(=O)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 95418376 KFOTZRUDIJYVLX-ITKZLYELSA-N 339.844 4.355 0 40 EIAB CO[C@@H]1CCCN(c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)C1 96122509 JVFYOYLNWVQYGX-LJQANCHMSA-N 339.439 4.254 0 40 EIAB CC1(NC(=O)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)CCC1 96484481 QQOJEJNSAWDJQA-UHFFFAOYSA-N 347.415 4.204 0 40 EIAB Cc1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)nn1Cc1ccc(F)cc1 100219558 HHTMCDYGMLPOFK-ZACQAIPSSA-N 341.430 4.144 0 40 EIAB CCN1C(=O)[C@H](Cc2cccs2)c2cc(Br)ccc21 101014245 OJTQQQPCIYDRKQ-CYBMUJFWSA-N 336.254 4.203 0 40 EIAB CCSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(O)CCCC1=N2 102678641 QQSDDGIXXVJPSK-OAHLLOKOSA-N 344.415 4.201 0 40 EIAB CC(C)c1ccc(-c2noc(C[S@@](=O)c3ccccc3)n2)cc1 107935281 OCLKHJVXTKGFSC-QHCPKHFHSA-N 326.421 4.168 0 40 EIAB Nc1nnc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)o1 216800958 DIKOUPLDALRWOL-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB CCOc1cc(C=O)ccc1OCCCCN1C[C@@H](C)C[C@H](C)C1 217799446 VRJPPWFPVGSCAS-IRXDYDNUSA-N 333.472 4.035 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 224343764 NHWHMNCVNYIBNA-LJQANCHMSA-N 325.452 4.430 0 40 EIAB COc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 224492760 XZFYNSLROACICY-MRXNPFEDSA-N 341.451 4.211 0 40 EIAB O=C(NCC1CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 224535649 VBOMJVABCKQRTP-UHFFFAOYSA-N 348.918 4.249 0 40 EIAB Cc1cccc(C)c1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927508 IPNRYAIXMOUWQI-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1 225704100 CBXDDTLMMSIZPC-LJQANCHMSA-N 337.460 4.026 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2cc(C)cc(C)c2)c1 225765541 XWYRJJZEIGISRW-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(C3CC3)CCCC2)c1 225864453 UATPVKGOTOBDCS-UHFFFAOYSA-N 346.496 4.181 0 40 EIAB CC(C)c1cccc(C(=O)[C@@H](Br)CBr)c1 382675576 OVUGZZLXTDHDNF-NSHDSACASA-N 334.051 4.151 0 40 EIAB O=C(O)C/C(=C/c1cncs1)c1nc2cc(Cl)ccc2s1 532263211 HKZNQPUUDZVTFE-BAQGIRSFSA-N 336.825 4.422 0 40 EIAB COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2ccc3ccccc3n2)cc1 585105605 XCDUOENCYRWCIG-HKUYNNGSSA-N 346.430 4.400 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1Br 36026 ZZZVEHTVEKXMDB-UHFFFAOYSA-N 338.632 4.075 0 40 EIAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 127247 GTWLLGVVVUBNLS-UHFFFAOYSA-N 328.437 4.228 0 40 EIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(C)c(C)c1 130815 YOWDMAXOVPSZSQ-UHFFFAOYSA-N 339.435 4.224 0 40 EIAB COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 501850 GFDAKGYQPRNWQY-UHFFFAOYSA-N 343.386 4.262 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1Cl 2643299 BGMAQMIRMAJHBV-UHFFFAOYSA-N 327.767 4.169 0 40 EIAB CCC(CC)c1nnc(NC(=O)COc2cc(C)ccc2C)s1 2656063 IRZOTVFZRJNDLP-UHFFFAOYSA-N 333.457 4.076 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCCCC1 3443359 PIORCUXBGPFTTR-LJQANCHMSA-N 326.415 4.382 0 40 EIAB CCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033426 FGPDXXTYKFWGIV-AWEZNQCLSA-N 337.398 4.106 0 40 EIAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccccc32)cc1 4129707 YXFNGHHNQSIYJK-UHFFFAOYSA-N 341.414 4.438 0 40 EIAB CC(C)Cn1c(=O)[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc21 5260924 YVWHVANIDDLAOX-UHFFFAOYSA-N 335.329 4.066 0 40 EIAB Cc1cc(NC(=O)c2c(F)cccc2F)ccc1N1CCCCC1=O 5441344 GNGIRDGUYGGEBA-UHFFFAOYSA-N 344.361 4.042 0 40 EIAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccccc1Cl 5953517 WMFNJNKCICWLCJ-CSKARUKUSA-N 332.783 4.416 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1OC 6648953 OLKJDKJCAQLQLM-UHFFFAOYSA-N 343.404 4.296 0 40 EIAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(C)c1 6743458 AKFABOCAPNIKGW-UHFFFAOYSA-N 349.478 4.242 0 40 EIAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCCc2ccccc21 6947829 OAFYJKMMIYSUEX-MRXNPFEDSA-N 333.790 4.052 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1F 7416303 TUEAZUQUDBXDCJ-UHFFFAOYSA-N 334.397 4.272 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2C(F)(F)F)c1 7780221 QMZSSWAUCHOZPG-UHFFFAOYSA-N 336.309 4.362 0 40 EIAB Cc1ccc(CN(C)C(=O)Nc2nc3ccc(F)cc3s2)cc1 7989345 OHPRRSAQNNNMFT-UHFFFAOYSA-N 329.400 4.408 0 40 EIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cnc2ccccc2n1 8231377 LKBDLDHGCSBHRC-UHFFFAOYSA-N 346.434 4.263 0 40 EIAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCC(C(C)(C)C)CC1 8314253 GISJGGSDVDUVEL-UHFFFAOYSA-N 348.462 4.075 0 40 EIAB CC(C)COc1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 8868565 MSOFFWYKMSEFLI-UHFFFAOYSA-N 337.379 4.024 0 40 EIAB O=C(CN1CCc2sccc2C1)Nc1cccc(Cl)c1Cl 10341083 YASQFXQTJFRFLI-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)NCc1ccccn1 11616006 SFYHZMQNXBDLSL-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB O=C(CSc1ccncc1)Nc1ccc(OC(F)F)c(Cl)c1 12526884 FNOZDWOWGYJKFR-UHFFFAOYSA-N 344.770 4.067 0 40 EIAB CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)cc3F)cnc21 13000673 JALIHCRMFUNAHT-UHFFFAOYSA-N 332.766 4.057 0 40 EIAB CSc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1 14251613 OJUSLFQHXMPJCC-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C)C4)ccc1O 15085171 AAUDZRQKQXRTFP-MFKMUULPSA-N 343.448 4.061 0 40 EIAB Cc1ccc(C)c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 15218745 ZMIHSOOZRLVCNT-UHFFFAOYSA-N 332.329 4.024 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)cc1 15544352 YKRSYNVWPPMGRC-FQEVSTJZSA-N 339.435 4.055 0 40 EIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 16640416 MRWTUOUMAUOJAZ-LBPRGKRZSA-N 337.847 4.319 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1Cl 20451082 HYANQINZMRYHNJ-UHFFFAOYSA-N 334.828 4.326 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@@H]2Cc3ccccc3S2)cc1 21396387 NZXVBMKBLLLFLY-SFHVURJKSA-N 343.517 4.061 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27584714 ZHFTVKMSGXLSDQ-UHFFFAOYSA-N 349.390 4.169 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccc(F)cc1 30873748 QMLKGSQMCCYSOD-HNNXBMFYSA-N 331.456 4.196 0 40 EIAB CC(=O)c1c[nH]c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 31336441 XTAFMMWYTTVTGZ-VIFPVBQESA-N 339.222 4.357 0 40 EIAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CCCCC1 32642900 GNDZQZFMWRZODS-UHFFFAOYSA-N 327.428 4.168 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N(C)Cc1ccccc1 32754439 RRKJGJPNSHDIRM-MRXNPFEDSA-N 336.435 4.084 0 40 EIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc2ncccc12 32903511 FZZIZXLUWUVXTE-HXUWFJFHSA-N 333.435 4.331 0 40 EIAB CN(C)C(C)(C)CNc1nnc(-c2ccc(F)cc2)c2ccccc12 33012158 NAEYYUSIZZYBBS-UHFFFAOYSA-N 338.430 4.188 0 40 EIAB Cn1c([C@H](O)C(c2ccccc2)c2ccccc2)nc2ccccc21 38337702 WQPSIQZPTLMOFO-OAQYLSRUSA-N 328.415 4.439 0 40 EIAB Fc1cc(F)cc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)c1 40088658 VCDNHCIRQLRGFC-UHFFFAOYSA-N 333.769 4.298 0 40 EIAB Cn1ccnc1COc1ccc(CSc2ccc(F)cc2)cc1 40134573 GMUPKSGVXDIALS-UHFFFAOYSA-N 328.412 4.431 0 40 EIAB COc1ccc(CN(C)C(=O)c2c(Cl)c3ccccc3n2C)cc1 40144344 YJHOPRKHAIJYLO-UHFFFAOYSA-N 342.826 4.113 0 40 EIAB CCSc1ccccc1NC(=O)NC[C@@H](C)N(C)c1ccccc1 40151900 XXRYBCCRCGJPCU-OAHLLOKOSA-N 343.496 4.445 0 40 EIAB CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccco2)cc1OC 40159922 WZVYIEAKCZLJSF-UHFFFAOYSA-N 337.803 4.003 0 40 EIAB CC(C)COc1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 48286508 MJNYEYJWTVPVNS-UHFFFAOYSA-N 335.407 4.159 0 40 EIAB O=C(c1ccccc1)N1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 49168646 UKROVUUNVSKBCJ-ZDUSSCGKSA-N 326.783 4.111 0 40 EIAB biogenic,in-vitro Brc1cc2ccccc2cc1I 49582099 QDLAABKFYZVHOW-UHFFFAOYSA-N 332.966 4.207 0 40 EIAB CSc1cccc(NC(=O)NC[C@@H](C2CCCCC2)N(C)C)c1 58152349 XXLIMTWNZXENOG-KRWDZBQOSA-N 335.517 4.041 0 40 EIAB Cc1nc(/C=C/C(=O)Nc2ccccc2NCC(F)(F)F)cs1 58283088 RHQUAFDOSNXSLL-VOTSOKGWSA-N 341.358 4.078 0 40 EIAB O=C(CCc1ccccn1)Nc1ccc(N2CCc3ccccc32)cc1 58365998 OYVPXFMZBFTOSJ-UHFFFAOYSA-N 343.430 4.347 0 40 EIAB O=C(NCCc1ccccc1C(F)(F)F)c1ccc2ccccc2n1 58414747 UWWGZELGVIHRCP-UHFFFAOYSA-N 344.336 4.226 0 40 EIAB CN(C)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 59996911 MAVMYICPMNWMJN-SFHVURJKSA-N 342.870 4.253 0 40 EIAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 66310890 RRNREZBBGITYMO-ROUUACIJSA-N 346.430 4.338 0 40 EIAB COc1ccc([C@H](C)C(=O)NCC2(Sc3ccccc3)CC2)cc1 68214016 ZGPTTXXREIXJDY-HNNXBMFYSA-N 341.476 4.240 0 40 EIAB CSc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 72015438 RBBMMFHNAARJDR-KRWDZBQOSA-N 340.492 4.259 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3[nH]ccc3c2)cc1 72221741 ONVNMKSZVFHNKP-LJQANCHMSA-N 340.448 4.002 0 40 EIAB Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2cccnc2)cc1 72274460 QDKHZMBRZCYDCI-HXUWFJFHSA-N 346.409 4.102 0 40 EIAB COc1ccc2cc(NC(=O)c3nc(C)sc3C(C)C)cnc2c1 72405465 UEVCWGTXBAWRNK-UHFFFAOYSA-N 341.436 4.384 0 40 EIAB O=C(c1ccc(-c2cnco2)cc1)N(C[C@H]1CCOC1)c1ccccc1 84549130 UWRAZGUGHLWZHI-MRXNPFEDSA-N 348.402 4.025 0 40 EIAB Cc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)s1 89656605 LDKONBOMGDSGJA-UHFFFAOYSA-N 328.481 4.224 0 40 EIAB C[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOCC1 89894402 FSUFLMAMLOIWLS-ZDUSSCGKSA-N 341.407 4.191 0 40 EIAB CCCNC(=O)c1cc(-c2csc(C(C)C)n2)n2ccccc12 96154841 FIFHOFHEKAOCBD-UHFFFAOYSA-N 327.453 4.326 0 40 EIAB CC[C@](CNC(=O)CCc1cccc(Cl)c1)(OC)c1ccccc1 96391824 GGEUSUMOORAHCW-HXUWFJFHSA-N 345.870 4.341 0 40 EIAB COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@@H]1[C@@H](O2)C1(C)C 100063721 NGRRXMZEVSBATO-CFSSXQINSA-N 336.387 4.286 0 40 EIAB biogenic,in-vitro O=C(Nc1ccccc1SC1CCCC1)N1[C@H]2CC[C@H]1CC(O)C2 101049927 UAPWPUGYNTVFBZ-KBPBESRZSA-N 346.496 4.241 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 108960262 DWXMVMPBFRTSFY-BLFANLJRSA-N 340.236 4.143 0 40 EIAB Cc1c(C(N)=O)c2ccccc2n1Cc1c(Cl)cccc1Cl 216948433 QXRJOZHTZWXQBA-UHFFFAOYSA-N 333.218 4.404 0 40 EIAB CC[C@H](NC(=O)c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 223084879 RHHBESRJJHQCLY-KRWDZBQOSA-N 327.424 4.202 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2C)cc1COCC(C)C 224446893 MTRRZVKMGKOPHY-UHFFFAOYSA-N 327.424 4.429 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccccc2OC)ccc1OCC 224706841 CNNHPANTHOHAJF-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 225176252 NUPDYWDMNHAGFD-QGZVFWFLSA-N 325.452 4.208 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1c2ccccc2C[C@H]1C 225545840 MIKXUDJNRSXCHP-HZPDHXFCSA-N 335.447 4.311 0 40 EIAB Cc1ccccc1NC(=O)NC[C@@H](O)c1csc2ccccc12 225699095 XTZNQQZTWOIAJS-MRXNPFEDSA-N 326.421 4.065 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@]21CCC(=O)O1 245238633 XBSQQVJXPODPRW-IGUHIKQPSA-N 344.495 4.386 0 40 EIAB Cc1ccc(CCCC(=O)Nc2ccc(-c3c[nH]cn3)cc2)s1 257173042 BLCXHDXVCVXVAE-UHFFFAOYSA-N 325.437 4.408 0 40 EIAB CN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O 408812973 CJUZCHKOLGTWNK-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 190832 HYQRHKWYLDADJU-NVNXTCNLSA-N 348.185 4.347 0 40 EIAB Cc1ccc(C)c(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 422675 VNGGPRCPWVDXBK-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB COc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 504465 NZRPFZXNPZQFMX-UHFFFAOYSA-N 348.402 4.456 0 40 EIAB CCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 534580 JJGJNAFYZKTREZ-INIZCTEOSA-N 333.435 4.275 0 40 EIAB Clc1ccc(-n2ccnc2SCc2nnsc2Cl)cc1 1391987 PCFRVHKGOWOONP-UHFFFAOYSA-N 343.264 4.323 0 40 EIAB CCN(CC)C[C@@H](C)[C@@H](C)OC(=O)c1ccc(OCC(C)C)cc1 2040876 GRALFSQRIBJAHX-IAGOWNOFSA-N 335.488 4.245 0 40 EIAB in-man CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1C 2628844 NSMJLZZTGLLYGJ-UHFFFAOYSA-N 340.206 4.498 0 40 EIAB CC(=O)c1cccc(NC(=O)CSc2ccc3ccccc3n2)c1 2889204 QIROGAYDYZFWKI-UHFFFAOYSA-N 336.416 4.168 0 40 EIAB CC(=O)c1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1 3255491 ZSKRDKSNLCZEKC-UHFFFAOYSA-N 340.379 4.404 0 40 EIAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 3443511 ZPRJXFCFYIDVNQ-UHFFFAOYSA-N 342.395 4.413 0 40 EIAB Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl 3443750 LIGCKKACHWSGPX-GOSISDBHSA-N 329.827 4.221 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCC4)[C@@H]3C2=O)c1 4380401 FTDFAQZXFNEJEE-JSJNYSNDSA-N 333.431 4.095 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 4484937 IQKBAQYTPYKTKN-CMPLNLGQSA-N 337.876 4.003 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C2c3ccccc3-c3ccccc32)cc1 4503062 RHBQMTSNZHBGCM-UHFFFAOYSA-N 342.398 4.396 0 40 EIAB O=[P@](O)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)F 4746768 SFYJURZVONUXLE-CYBMUJFWSA-N 332.214 4.486 0 40 EIAB CC(C)(C)OC(=O)[C@H](c1ccccc1)[C@H](CC(=O)O)c1ccccc1 5379729 XGLBLPALHYSNIK-IEBWSBKVSA-N 340.419 4.370 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1cccc(Br)c1 6330622 IJZQOOWTVAOCFT-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 6510622 WNSBKDXCKAYCNT-JTQLQIEISA-N 330.236 4.033 0 40 EIAB CCn1c(SCc2cccc(C(=O)OC)c2)nc2ccccc21 7153840 CEXDRYZQDARAAN-UHFFFAOYSA-N 326.421 4.135 0 40 EIAB CCNCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 8428748 OHNYSKQXGIAFMD-UHFFFAOYSA-N 325.387 4.222 0 40 EIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccncc4)cc3c2C1 10132610 SXDSDHWPRXRBKN-ZIAGYGMSSA-N 333.435 4.179 0 40 EIAB Cc1ccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)nc2c1 12088210 WMHLOIPDWOQYJG-UHFFFAOYSA-N 333.435 4.245 0 40 EIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(N(C)C)c1 12260036 XCZXCUYSQDYJQC-UHFFFAOYSA-N 336.391 4.073 0 40 EIAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1CCCO1 12383245 KJKARWKNWLOOHS-ATZDWAIDSA-N 341.476 4.204 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)NCCN(C(C)C)C(C)C)sc2n1 12736418 JKRZXZSYRNTYFI-UHFFFAOYSA-N 347.528 4.070 0 40 EIAB COCC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 12768575 PWUMHCMPXSGPSC-UHFFFAOYSA-N 336.463 4.185 0 40 EIAB Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1F 12809598 IVLOEURMULJLSJ-UHFFFAOYSA-N 341.426 4.325 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1cc2cnn(C(C)C)c2nc1C 12943732 VHBGRLWCFYOJGE-CQSZACIVSA-N 336.439 4.120 0 40 EIAB C[C@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1Cl 13040052 HJXGQWYQZOKGBP-LBPRGKRZSA-N 349.261 4.233 0 40 EIAB O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccc(F)cc1F 13325220 JCTHLIMBZKWLHG-UHFFFAOYSA-N 331.366 4.205 0 40 EIAB COc1ccc(-c2cc(CC(=O)Nc3ccc(C)c(C)c3)no2)cc1 13574325 KSFXGBMMKFKEMF-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB O=C(NCc1ccsc1)c1cc(Br)ccc1Cl 13698087 OXJMWXKMYXPXJL-UHFFFAOYSA-N 330.634 4.094 0 40 EIAB COc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c1 14607139 VKSSCWVFCMZOMS-UHFFFAOYSA-N 333.391 4.144 0 40 EIAB C[C@@H](CNC(=O)c1cccnc1Oc1ccccc1)c1ccccc1 15534189 WRFUASCGLVKXLC-INIZCTEOSA-N 332.403 4.407 0 40 EIAB O=C(O)c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 16480427 NFYXJHORCJLSFG-UHFFFAOYSA-N 347.414 4.254 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CCCc2ccccc21 20105584 JHGIYWYFRNNCDE-WOJBJXKFSA-N 339.435 4.046 0 40 EIAB c1nc(SCc2nc(-c3ccsc3)no2)c2sccc2n1 22005429 VHSVETWHDBBKRR-UHFFFAOYSA-N 332.435 4.095 0 40 EIAB Cc1cccc(C)c1Nc1ncccc1C(=O)NCc1ccccc1 22071992 XUTSTIIEEAKQRC-UHFFFAOYSA-N 331.419 4.372 0 40 EIAB CN(C(=O)c1nc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3 23185009 QVHSAVRMHJNRAA-UHFFFAOYSA-N 339.266 4.285 0 40 EIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 24050066 WYFAWZJLZJUTDF-UHFFFAOYSA-N 347.296 4.023 0 40 EIAB CC1(C)C[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)CCO1 28294391 FDUJMCVEJKQBHO-MRXNPFEDSA-N 337.419 4.061 0 40 EIAB CN1CCN(C(=O)c2cc3ccccc3s2)[C@@H](c2ccccc2)C1 30029886 BYHZXLKMNZTBPA-QGZVFWFLSA-N 336.460 4.030 0 40 EIAB O=c1[nH]cnc2c1sc1nc(C3CCCCC3)c3c(c12)CCC3 31813832 JIOQWBOAGNWGGR-UHFFFAOYSA-N 325.437 4.069 0 40 EIAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 41123107 GDSRFYNXVNYVOR-GFCCVEGCSA-N 347.846 4.256 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3Cl)n[nH]2)cc1 44837752 YRTNDNBDNPTYGC-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(N)cc2Br)c1 61667274 FAUXAUFSJQMPMQ-UHFFFAOYSA-N 349.228 4.072 0 40 EIAB CCc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)o1 69703026 NIGFTZYDIYSPFE-UHFFFAOYSA-N 348.830 4.228 0 40 EIAB O=C(CCc1ccccc1)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 71282600 DQOUUEZGRPMNCU-UHFFFAOYSA-N 342.402 4.196 0 40 EIAB CC[C@H](NC(C)=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 71405433 DNHMMVOJNINVCM-INIZCTEOSA-N 341.842 4.325 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)cnc1N1CCCCC1 72219158 DNQPAQOVNAKFFV-QGZVFWFLSA-N 345.487 4.452 0 40 EIAB Cc1cccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1 75359583 BYXTWKVDNQQIFW-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB C[C@@H](NC(=O)N1CCC(OCC2CC2)CC1)c1cccc(Cl)c1 76084561 QSPXLRPIPYYXTE-CYBMUJFWSA-N 336.863 4.002 0 40 EIAB C[C@H](OC(=O)Cc1c(F)cccc1F)c1cnc2ccccc2c1 79075396 KEXXZWCKHAPUEH-LBPRGKRZSA-N 327.330 4.360 0 40 EIAB CC(C)n1cc(CCCC(=O)NCCc2ccco2)c2ccccc21 79501494 ZVYQGYXWBQWGGB-UHFFFAOYSA-N 338.451 4.497 0 40 EIAB O=C1OCCN1c1ccc(NCc2cccc(-c3ccncc3)c2)cc1 95428586 DDSGLKPSGDGSEK-UHFFFAOYSA-N 345.402 4.317 0 40 EIAB CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cc(F)ccc2F)CCO1 95465793 JMBQOVQXTUNXCD-CJNGLKHVSA-N 326.387 4.070 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(c1ccccc1)C1CCCC1 95953762 FDYQZYKCWSKQDG-CQSZACIVSA-N 325.456 4.116 0 40 EIAB O=C(c1csc(-c2ccoc2)n1)N1CC=C(c2cccs2)CC1 96409987 PSEKSMQCFOCBTA-UHFFFAOYSA-N 342.445 4.394 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C 96659465 MXOYEPDFIQQPDU-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C 106693752 PHVYATYTMFBTAI-SXGWCWSVSA-N 344.411 4.018 0 40 EIAB Brc1cc(I)c2ccccc2c1 165420854 LVWARGSJDSRDRQ-UHFFFAOYSA-N 332.966 4.207 0 40 EIAB C[Sn](C)(Cc1ccccc1)Cc1ccccc1 195752336 SBPVNOJMOXZFTL-UHFFFAOYSA-N 331.047 4.259 0 40 EIAB O=C(CC(F)(F)F)N1CCS[C@H](c2ccccc2Cl)CC1 206997975 IEQMMDASJJDSTR-LBPRGKRZSA-N 337.794 4.299 0 40 EIAB Cc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c(C)cc2N)c1 216867113 LXNVNUNRGPSDSP-UHFFFAOYSA-N 337.467 4.374 0 40 EIAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 216954994 VJSHVWGMHITRCQ-UHFFFAOYSA-N 334.202 4.437 0 40 EIAB CCOc1ccccc1CCCNC(=O)CCc1ccccc1Cl 220015713 IGTCFZKRHTWPTG-UHFFFAOYSA-N 345.870 4.420 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1cnc(-c2ccc(Cl)cc2)nc1 222604654 WHWGWAIRUYYBOI-UHFFFAOYSA-N 345.736 4.328 0 40 EIAB O=C(OCc1ccccc1Cl)c1snnc1-c1ccccc1 223834548 RHIZJLWMGZWHPC-UHFFFAOYSA-N 330.796 4.216 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(F)cc1 224128412 OKDDNHFKRDUDTN-OAHLLOKOSA-N 343.442 4.249 0 40 EIAB Fc1ccc(NC(=S)NCCSCc2ccccc2)cc1F 225290545 ZHKFTOWZJCIQGR-UHFFFAOYSA-N 338.448 4.185 0 40 EIAB CC1(C)COc2ccc(C(=O)Nc3ccccc3Cl)cc2OC1 225359498 AQRDVBJIUVUSBV-UHFFFAOYSA-N 331.799 4.390 0 40 EIAB O=C(CCc1ccccc1F)NCCSc1ccc(Cl)cc1 225420676 LYXJBDOVDSOAJP-UHFFFAOYSA-N 337.847 4.320 0 40 EIAB O=C(/C=C/c1cccs1)NCc1cccnc1-c1cccs1 225759188 GFSITQHXEOYCAR-BQYQJAHWSA-N 326.446 4.201 0 40 EIAB Cc1nc(CN(C2CCC2)[C@H](C)C(=O)O)oc1-c1ccc(Cl)cc1 566509115 BJEMEPDNFPASQL-GFCCVEGCSA-N 348.830 4.131 0 40 EIAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 585100666 SEHFUANSXMCKPL-GHTZIAJQSA-N 328.500 4.141 0 40 EIAB CC(C)OC(=O)[C@H](C)C[C@H](N)Cc1ccc(-c2ccccc2)cc1 642771773 ATKCLYOBWADYJT-UZLBHIALSA-N 325.452 4.201 0 40 EIAB C[C@H]1CCN(C(=O)NCC2(c3ccccc3)CCC2)CC12CCC2 1666305415 ZBIGIEKNDUVCOL-KRWDZBQOSA-N 326.484 4.330 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 147354 DDHDQERVJAERSZ-RMKNXTFCSA-N 331.799 4.318 0 40 EIAB O=C(NC[C@H]1CCCO1)c1sc2cccc(Cl)c2c1Cl 184709 OAKLZIWVSSWBIH-MRVPVSSYSA-N 330.236 4.117 0 40 EIAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccccc1 419246 UYFCZPOQCXIZQL-UHFFFAOYSA-N 339.464 4.478 0 40 EIAB Cc1nc(-c2ccccc2)nc2sc(C(=O)c3ccccc3)c(N)c12 1106225 CBYWUMPBELKTMK-UHFFFAOYSA-N 345.427 4.480 0 40 EIAB COc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C 1258882 BVJJGMPXQZMNDF-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB Cc1sc2ncnc(OCCOc3cccc(Cl)c3)c2c1C 2650399 SGYUMTUHLJFRTK-UHFFFAOYSA-N 334.828 4.419 0 40 EIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1 2963371 NPDPNAXNBVTXDS-BEFAXECRSA-N 340.448 4.020 0 40 EIAB O=C1O/C(=C\NOCc2ccc(Cl)cc2Cl)c2ccccc21 3029764 KRQKVDIMUAACBY-NVNXTCNLSA-N 336.174 4.184 0 40 EIAB CCOc1ccc2nc(NC(=O)Cc3ccccc3F)sc2c1 3559783 ABSIGMYSKIHWPA-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB CCOCCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 5157027 VAPNATJISMKNJS-UHFFFAOYSA-N 346.434 4.382 0 40 EIAB CN(Cc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 5659602 PAQBPQCMNHPOIO-UHFFFAOYSA-N 326.403 4.328 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)CCCCC(=O)N1[C@@H](C)CCC[C@H]1C 6250086 UFQWQGQEWQONBQ-XLAORIBOSA-N 336.520 4.126 0 40 EIAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccco4)nc3c12 6662166 QTCZOCPJEUWMHZ-UHFFFAOYSA-N 343.390 4.004 0 40 EIAB Cc1cc2nnc(SCc3nccn3C(F)F)n2c2ccccc12 8746344 NGVJBVGSFDTZSN-UHFFFAOYSA-N 345.378 4.075 0 40 EIAB CCc1ccc(Nc2nnc(SCc3nnc(CC)o3)s2)cc1 9368286 MMPNQWACEGOVRG-UHFFFAOYSA-N 347.469 4.082 0 40 EIAB C[C@H](Sc1nnc(NC2CC2)s1)c1nnc(-c2ccccc2)o1 10028056 VBGKKFQJAHJJMG-VIFPVBQESA-N 345.453 4.016 0 40 EIAB Cc1cccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12914855 HZPRRUVLFCORFJ-IBGZPJMESA-N 329.827 4.295 0 40 EIAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1 13714176 JTYDXABDQNLLSW-UHFFFAOYSA-N 348.446 4.279 0 40 EIAB Oc1ccccc1Oc1c(F)c(N2CCCC2)nc(F)c1Cl 13734963 GPGKIVGFLWIYOP-UHFFFAOYSA-N 326.730 4.111 0 40 EIAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(F)cc1 15839939 YHVVKUVJVPJEDC-SFHVURJKSA-N 340.785 4.394 0 40 EIAB CC(C)C[C@@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 16967598 ICSUXZIWHKCVMI-QGZVFWFLSA-N 341.480 4.461 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(OC)c1 18185142 BXAHJNVCIZVFOY-UHFFFAOYSA-N 348.402 4.327 0 40 EIAB COc1cc(NC(=O)CCc2ccc(F)cc2)c(OC)cc1Cl 18699723 JSAJNZDROFUAHA-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB O=C(O)c1cccc(CSc2nnc(-c3ccccc3Cl)[nH]2)c1 19928148 FLPALDGAENVPSH-UHFFFAOYSA-N 345.811 4.116 0 40 EIAB c1ccc(CN2CN=C(c3ccccc3)N(c3ccccc3)C2)cc1 19960594 QBDZFXOVMGVEHP-UHFFFAOYSA-N 327.431 4.371 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20145166 MYYFBFXRXFWMJH-KPKJPENVSA-N 349.386 4.099 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cnn(Cc2ccccc2)c1 20897334 NYLBKMCDFIYNAU-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB CCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1OCC 26753784 QBVYVPLTCWJDFB-OAHLLOKOSA-N 327.424 4.018 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 26919984 FANTUNZXBULBJY-AOGGBPEJSA-N 328.799 4.385 0 40 EIAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC 29634442 BNLIIKUNCAZUIE-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 32610313 XYXAHTPIUXXMKU-UHFFFAOYSA-N 341.798 4.177 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C 32627836 RBTOXVFFIQCNCN-QGZVFWFLSA-N 338.451 4.310 0 40 EIAB O=C(CCC1CCCC1)Nc1ccc(-n2cnc3ccccc32)nc1 32777693 VWOZNYKJJUODIP-UHFFFAOYSA-N 334.423 4.329 0 40 EIAB CC(=O)N[C@H](CC(=O)Nc1cc(C)ccc1C)c1ccccc1Cl 32922352 WQLSAQOIIJAYGA-GOSISDBHSA-N 344.842 4.163 0 40 EIAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1cccc(F)c1 36619753 KRUPNWBICPHMGG-GFCCVEGCSA-N 345.848 4.066 0 40 EIAB CC(C)C(=O)O[C@H](c1ccccc1)N1C(=O)C(C)(C)c2ccccc21 38337846 KABCMDXGISWAGE-GOSISDBHSA-N 337.419 4.209 0 40 EIAB O=C(O)c1ccc(C2CCCCC2)c(I)c1 39951783 UCLIQBXTCVLQMT-UHFFFAOYSA-N 330.165 4.037 0 40 EIAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC=C(c2ccccc2)CC1 40478398 JFNAVMUUKPERID-UHFFFAOYSA-N 347.393 4.145 0 40 EIAB Cc1c(C(=O)N2C[C@H](C)Oc3ccccc32)oc2ccc(F)cc12 41155706 MYMJHVQLSTVTJZ-NSHDSACASA-N 325.339 4.308 0 40 EIAB Cc1nn(-c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)c(C)c1Cl 48364979 WFARAFQYAXXZQK-UHFFFAOYSA-N 343.858 4.061 0 40 EIAB O=C(c1ccccc1Cl)N1CCC(COCc2ccccc2)CC1 49028696 MKROPHOUTOXDOR-UHFFFAOYSA-N 343.854 4.409 0 40 EIAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1Cl 49549791 JDUKJQBOKLBVBU-GFCCVEGCSA-N 328.224 4.151 0 40 EIAB Cc1ccccc1OCCNC(=O)c1ccccc1SC(C)C 55954332 JFCZVELTAQROTM-UHFFFAOYSA-N 329.465 4.304 0 40 EIAB C[C@H](NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccccn1 58202488 KLRGXHIOKMRJJV-HNNXBMFYSA-N 348.450 4.213 0 40 EIAB O=C(N[C@H]1COc2ccccc21)C(c1ccccc1)c1ccccc1 58726089 LEZSCDDHVGXIQI-IBGZPJMESA-N 329.399 4.068 0 40 EIAB O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 60369743 QHFRKFBANUQGIP-NVXWUHKLSA-N 337.423 4.147 0 40 EIAB CCOc1ccc(NC(=O)N(C)Cc2csc(C)n2)cc1Cl 65412774 IHTDPQOWFKLQHR-UHFFFAOYSA-N 339.848 4.168 0 40 EIAB COc1cc(C(C)=O)ccc1OCc1nc(-c2ccco2)oc1C 65562246 BONKJDCICABMFI-UHFFFAOYSA-N 327.336 4.033 0 40 EIAB Cn1cc(CN(Cc2ccccc2)[C@H]2CCCC[C@@H]2O)c2ccccc21 68605832 OUXWLMCCCZTPEC-GOTSBHOMSA-N 348.490 4.484 0 40 EIAB COc1ccc(OC)c(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)c1 71978322 BESOXUKYXAORJR-UHFFFAOYSA-N 335.407 4.027 0 40 EIAB FC(F)(F)c1ccnc(N(Cc2ccccc2)Cc2ccco2)n1 72313833 ORBRIIGDCDWCCG-UHFFFAOYSA-N 333.313 4.295 0 40 EIAB Fc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 72358613 AKDVVVQCSNAPNK-KRWDZBQOSA-N 348.425 4.057 0 40 EIAB CCc1ccc(NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)cc1 75138328 UHJLFNPPLZLYGE-UHFFFAOYSA-N 333.338 4.130 0 40 EIAB O=C(CSc1ccc(F)cc1)N1CCC(c2ccsc2)CC1 75157134 FNVPTEPPAKQCPK-UHFFFAOYSA-N 335.469 4.386 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](Oc2ccccc2C(F)(F)F)C1 75629449 BAWKASDHPYRAAQ-NSHDSACASA-N 331.334 4.094 0 40 EIAB c1ccc2oc(-c3noc(-c4csc(-c5cnccn5)n4)n3)cc2c1 84594993 IXHLKLULJSPVQA-UHFFFAOYSA-N 347.359 4.063 0 40 EIAB C[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1 95965441 DEMLCVMGBJMTSE-AWEZNQCLSA-N 327.403 4.046 0 40 EIAB Cc1nc(CSc2nnc(-c3ccncc3)n2C2CC2)sc1C 96481627 XDUJNNGQZRMSKJ-UHFFFAOYSA-N 343.481 4.041 0 40 EIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 100049693 KQYUGGMMKPPZTR-XAMWDVODSA-N 329.399 4.098 0 40 EIAB Cc1ccc(-c2noc(-c3c(N)sc4c3CC[C@H](C)C4)n2)cc1 100102365 MEZBZJARSZPMFX-NSHDSACASA-N 325.437 4.481 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccccc2C(C)C)cc1 222809404 CIEMJNFWESNDHQ-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222956989 UTLGDCWAOOTAFL-MRXNPFEDSA-N 337.463 4.384 0 40 EIAB COC(=O)c1ccc(CN2c3c(OC)cccc3C(C)=CC2(C)C)o1 223230987 NGXZKPSYUOZDFB-UHFFFAOYSA-N 341.407 4.277 0 40 EIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C(C)C)c1 223703588 JAWCUKCJVRDOPR-UHFFFAOYSA-N 347.480 4.029 0 40 EIAB Cc1ccnc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 223981555 WRRHSHNWPZQXTG-UHFFFAOYSA-N 343.471 4.328 0 40 EIAB Cc1cc(N)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 227144858 INQIEMIPCAIAFX-UHFFFAOYSA-N 332.403 4.409 0 40 EIAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H]1c1ccsc1 245224729 CKXDBHNPQDYMHZ-ZBEGNZNMSA-N 336.407 4.190 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@H]12)OCCO3 257345988 OBDZFYATKFZBLA-BKFJMFTRSA-N 334.500 4.133 0 40 EIAB FC(F)(F)Oc1cc(Br)c2nc(C(F)(F)F)[nH]c2c1 258833955 NMURYUDUVGSFPZ-UHFFFAOYSA-N 349.028 4.243 0 40 EIAB C[C@@H](CC(=O)NCCOc1cccc(C(C)(C)C)c1)c1cccnc1 524542628 AUGVEMGZNHEBIF-INIZCTEOSA-N 340.467 4.068 0 40 EIAB C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc2c(F)cccc2c1 582196042 GCKLWESSZVZNCJ-NVXWUHKLSA-N 348.421 4.467 0 40 EIAB Cc1c(F)cccc1C(=O)NCCc1csc(-c2ccccc2)n1 1545700890 ZEKAZWXTWGJJQW-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nsnc3c2)C1 270062 URZQTEXSTRQXIB-SJKOYZFVSA-N 346.525 4.289 0 40 EIAB CSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 345004 XEQUSMSJTVQARW-PCUGXKRQSA-N 348.431 4.104 0 40 EIAB COc1cc(O)ccc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21 382415 WRLGZLUXEPUYJG-FQEVSTJZSA-N 335.407 4.162 0 40 EIAB CC(C)[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCOC(C)(C)C1 490391 MRENQJGAOWEDBH-JKSUJKDBSA-N 343.467 4.150 0 40 EIAB COc1ccc(COCc2c(-c3ccccc3)nn(C)c2Cl)cc1 1388798 KADQRHUBMYOGRF-UHFFFAOYSA-N 342.826 4.466 0 40 EIAB CC(C)CC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 2306236 MRYJNXLXQXZWQO-STQMWFEESA-N 325.836 4.442 0 40 EIAB COc1ccc(NC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1OC 3096368 GCVKTEFZRXHZMQ-LBPRGKRZSA-N 344.386 4.216 0 40 EIAB COc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3209353 WIPUFYBUJQZHCP-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2cccc(Cl)c2)c1 3548280 HCEUYRGIFOYXQO-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB COc1ccc(CC(=O)Nc2c(C)cccc2C(C)C)cc1OC 3592089 OVUSWUPYRYFHLV-UHFFFAOYSA-N 327.424 4.317 0 40 EIAB O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2cccs2)o1 4496877 CYESXGXKQZRHSN-UHFFFAOYSA-N 349.412 4.058 0 40 EIAB O[C@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccco1 4934852 UNCNSZQWGTZHQX-BBTUJRGHSA-N 325.452 4.028 0 40 EIAB c1ccc2c(c1)C1c3ccccc3C2(C2OCCO2)c2ccccc21 5049070 ORLSOXCBYURDKL-UHFFFAOYSA-N 326.395 4.201 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 5587909 ZLBSKJKXZBASFW-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB O=C(NCCSc1nc2ccccc2o1)Nc1ccc(Cl)cc1 5777492 KNFRQLRWAZISLN-UHFFFAOYSA-N 347.827 4.395 0 40 EIAB Nc1ccccc1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 6276734 MAAZZYQSSNOTMO-UHFFFAOYSA-N 338.238 4.330 0 40 EIAB O=C(NC1CCCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 6393585 KGTDIVBGRULVPN-UHFFFAOYSA-N 331.419 4.212 0 40 EIAB O=c1c(I)c(-c2ccccc2)oc2ccccc12 6582422 JHYPGUFREBHZIV-UHFFFAOYSA-N 348.139 4.065 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 6610907 PXMOPRWPUMHLNM-GFCCVEGCSA-N 340.448 4.497 0 40 EIAB Cc1occc1-c1nnc(SCc2ccc(C(C)(C)C)cc2)n1N 7007600 DKPQTXUDPSQVBN-UHFFFAOYSA-N 342.468 4.150 0 40 EIAB CCc1nnc(NC(=O)c2cc(C(C)C)nc3ccccc23)s1 8394788 GLZYQFJNXHAUPE-UHFFFAOYSA-N 326.425 4.024 0 40 EIAB Cc1cccn2c(=O)cc(CNc3ccccc3-c3cccs3)nc12 9321986 IHMHRODTEUPZOV-UHFFFAOYSA-N 347.443 4.344 0 40 EIAB COc1ccc(OC)c(NC(=O)c2csc(-c3cccs3)n2)c1 9690703 MXQDOYUCPYFKQI-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccc(F)cc2)c1 10166016 KVHOHSPPOQCEJZ-UHFFFAOYSA-N 327.359 4.065 0 40 EIAB Cn1ncc2c(SC(c3ccccc3)c3ccccc3)ncnc21 11679387 LGHGORAOBYGPCT-UHFFFAOYSA-N 332.432 4.245 0 40 EIAB Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)on1 12089519 FVISWVMRYSSGHU-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3Cl)o2)cs1 12619072 CPJDTOLREYIWAU-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB CN(C)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12747886 IQWCYWMBSMDYBP-IBGZPJMESA-N 336.460 4.334 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2ccccc2F)o1 12902563 IMRUEBQYOCHUKZ-INIZCTEOSA-N 337.350 4.339 0 40 EIAB CCOc1ccc2[nH]c(=O)c(CNc3cnc4ccccc4c3)cc2c1 13561516 BCUQGIBZTKHXFL-UHFFFAOYSA-N 345.402 4.087 0 40 EIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(F)c1 14120697 CFUCXTOHWSIHFH-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 16109958 JKCAGFYTASBFNB-ZBFHGGJFSA-N 347.867 4.241 0 40 EIAB Cc1ccc2nc(-c3ccc(CNC(=O)c4cccnc4)cc3)oc2c1 16348661 UNHAWZZVVULEHG-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1 17959565 XTQYNQKFJWLEJM-CQSZACIVSA-N 339.826 4.076 0 40 EIAB O=C(NCCOc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 18150970 XMYRGBYGWPYBGX-UHFFFAOYSA-N 333.859 4.051 0 40 EIAB CN1CCN(CC[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 20590849 XKKQWHDMZSAMNH-HXUWFJFHSA-N 328.887 4.109 0 40 EIAB COc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc(OC)c1C 21006552 ZQTVAHAMBOORQI-UHFFFAOYSA-N 343.423 4.268 0 40 EIAB COc1c(C)cccc1C(=O)NC(=S)Nc1c(C)cc(C)cc1C 21596264 VTCVDZIACVZPKJ-UHFFFAOYSA-N 342.464 4.056 0 40 EIAB CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(-c3ccccc3)cc2)C1 22113772 YXYOHCYZPXGDRV-LJQANCHMSA-N 338.451 4.235 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 24595415 QHZUCDXZXTWNQQ-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB CC(C)CCCNC(=O)N[C@@H](C)c1ccc(Br)cc1 26391878 VMLWGECHUAOYPU-LBPRGKRZSA-N 327.266 4.246 0 40 EIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NC1CCCCCCC1 26564405 GAKXBICMNNRXIY-UHFFFAOYSA-N 345.418 4.037 0 40 EIAB Cc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222430 KKBHQDLLWJRBJL-NRFANRHFSA-N 331.463 4.407 0 40 EIAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccccc4)ncnc3c2c1 33172503 IREGGWXWSRGLAZ-UHFFFAOYSA-N 348.431 4.150 0 40 EIAB O=C(COc1ccccc1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117325 ZDAQHIWVYVTXMD-FQEVSTJZSA-N 327.399 4.252 0 40 EIAB CN(C)CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 40150523 YAGGHWIBONFVML-UHFFFAOYSA-N 349.837 4.075 0 40 EIAB O=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(F)cc2)[nH]n1 40478358 DVKSGNJHFXCIQU-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB Cc1c(C(=O)Nc2cccc(-n3cccn3)c2)oc2c(F)cccc12 45761748 ZXOMUQVDBVOMQZ-UHFFFAOYSA-N 335.338 4.318 0 40 EIAB CCCCOc1ccc2cc(C(=O)N[C@@H](C)c3cccnc3)[nH]c2c1 47752317 FYYKGEJNGLVNAS-AWEZNQCLSA-N 337.423 4.233 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1cccs1 48301569 ZPKAJNGDUNZWFP-CABCVRRESA-N 328.437 4.118 0 40 EIAB Cc1cc(CN2CCN([C@@H](C)c3ccc4ccccc4c3)CC2)no1 56491090 CIMWISCDKQKWAE-KRWDZBQOSA-N 335.451 4.015 0 40 EIAB C[C@@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 58160726 QHHFMZFAABDEIK-CQSZACIVSA-N 328.431 4.413 0 40 EIAB O=C(Nc1ccccc1F)N(CCc1ccccc1)Cc1ccncc1 58178764 VYLOHWQVKZRUOC-UHFFFAOYSA-N 349.409 4.498 0 40 EIAB COc1ccccc1/C(C)=C/C(=O)Nc1c(C)nn(C(C)C)c1C 66626940 XKVOIKNKSYYTLS-ACCUITESSA-N 327.428 4.131 0 40 EIAB C[C@@H](O)CNc1nc(C2CC2)nc2scc(-c3ccccc3)c12 69383434 JVQPYZZKKNMOFX-LLVKDONJSA-N 325.437 4.028 0 40 EIAB Cc1ccccc1-c1cc(-c2cccc(Br)c2)nc(N)n1 71978048 YRRZLROZRRGPOM-UHFFFAOYSA-N 340.224 4.464 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCc1cccc(C(F)(F)F)c1 72331756 OOQBELUVXIKQDE-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(Br)c2)C1 76068615 NKNXCEKASUYWFY-VXGBXAGGSA-N 325.250 4.492 0 40 EIAB C[C@H](c1ccccc1F)[S@](=O)Cc1ccc(-n2cccn2)cc1 84660667 VKELPJQDFXQNSZ-FATZIPQQSA-N 328.412 4.021 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1F 89769583 PKBGSCAHWWXHBT-OIISXLGYSA-N 349.421 4.066 0 40 EIAB Cc1ccc(NCc2csc3ccccc23)cc1NS(C)(=O)=O 95428656 UZOMUTSBZIRNDG-UHFFFAOYSA-N 346.477 4.193 0 40 EIAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN1c1nc2ccccc2o1 96122588 DDWZNWACHYNZGQ-HNNXBMFYSA-N 341.798 4.089 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)c1cccc(Oc2ccccn2)c1 96122642 JBLJCXULUXQTIQ-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 96659472 AKAYRCAQLSMGOJ-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB C[S@](=O)Cc1cccc(NCCc2c(F)cccc2Cl)c1 97114007 CJQLMLRCWRASGX-OAQYLSRUSA-N 325.836 4.012 0 40 EIAB CC/N=C1\S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CC 109596739 GUEJHTWVXQKXLG-QAAGDFBMSA-N 329.252 4.306 0 40 EIAB CCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 119171794 CKQFHGRKOWRKTJ-UHFFFAOYSA-N 330.844 4.485 0 40 EIAB CC(C)Sc1ccccc1C(=O)NCCOCc1ccccc1 177071901 JNGKAVUZLIHIFX-UHFFFAOYSA-N 329.465 4.134 0 40 EIAB C[C@H](CCc1ccc(O)cc1)NC[C@@H]1CCO[C@H]1c1ccccc1 192039141 XVJJJZCOPNLOHE-PBEJRMEISA-N 325.452 4.081 0 40 EIAB Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1C 199408745 LSGHLQZRZIPKKN-UHFFFAOYSA-N 327.409 4.027 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)n2cc(C=O)c3ccccc32)cc1 216720011 MYAMKJYVXUFGHB-UHFFFAOYSA-N 335.403 4.471 0 40 EIAB CN(C)c1cccc(C(=O)N2CCS[C@H](c3cccs3)CC2)c1 219501801 NBTIBKIEJPIZHE-KRWDZBQOSA-N 346.521 4.135 0 40 EIAB CCOc1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 222630946 ZAVBAERDYGUAAD-UHFFFAOYSA-N 332.831 4.493 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)cc3)N21 222640906 YJUBCOGPGQIXLE-FHLIZLRMSA-N 339.464 4.070 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCCCc3cccc(F)c3)no2)cc1 223273620 YPVZHBJYUUOUCB-UHFFFAOYSA-N 338.382 4.152 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C 223758359 YCTFKZLXBFWASA-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(F)cc1 223976794 UXCYDXCYHKFWTP-KRWDZBQOSA-N 327.399 4.095 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224106466 RTBQXIFQSJDTBD-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224924354 DXUCIUPVLFOJMT-LJQANCHMSA-N 342.414 4.222 0 40 EIAB Cc1ccc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1C 225094632 PWCXRYVUGRYNIY-INIZCTEOSA-N 338.325 4.397 0 40 EIAB CSc1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)s1 225341303 RZBMXYDSWMUHMF-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1C 225359092 ZNVRXLZEIPLABG-UHFFFAOYSA-N 325.408 4.353 0 40 EIAB O=C(c1ccc(-c2ccsc2)cc1)N1CCC2(CC1)OCCS2 225620382 MQKXGFOFMVMECC-UHFFFAOYSA-N 345.489 4.111 0 40 EIAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1cncc2ccccc12 390835185 GCEIPLJOTHSQSK-UHFFFAOYSA-N 348.406 4.017 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(C)cc1C)c1ccccc1 408981257 VOCNKMMDTXGAKF-GOSISDBHSA-N 340.423 4.119 0 40 EIAB COC(=O)c1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1 409115068 GUYCHZXLLLDZAU-PDGQHHTCSA-N 335.403 4.016 0 40 EIAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cn2cc(C)ccc2n1 560048080 IWSDPDMUPQLUGQ-IFXJQAMLSA-N 343.858 4.162 0 40 EIAB COC(=O)CCCCC(=O)c1cccc(OCc2ccccc2)c1 575357879 ZGVFOYDXVRJAMV-UHFFFAOYSA-N 326.392 4.182 0 40 EIAB CC[C@@H](NC[C@@H](O)c1ccc(F)cc1Cl)c1ccc(F)cc1 1645003939 KIMZDNLAWFQBQZ-IAGOWNOFSA-N 325.786 4.393 0 40 EIAB COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Cl 580911 MGSOKOSJPSYRLE-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB C[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 2766344 KTIVGPVAPGTPPW-GFCCVEGCSA-N 330.255 4.411 0 40 EIAB O=C(CN1CCCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 3236858 JVSVZYBRUBZATA-UHFFFAOYSA-N 334.769 4.173 0 40 EIAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 3283299 CVSISZNCFRDVQO-GFCCVEGCSA-N 349.261 4.379 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 3346138 IUTIKYMHCCOMCC-AWEZNQCLSA-N 329.415 4.379 0 40 EIAB CC[C@@H](C(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1)c1ccccc1 3628941 VCSLAJAFVDYRDD-IAGOWNOFSA-N 345.826 4.166 0 40 EIAB O=C(OC[C@H]1CCCN2CCCC[C@H]12)C1(c2ccccc2)CCCC1 4171231 TVSLBGTUONIWBK-UYAOXDASSA-N 341.495 4.306 0 40 EIAB biogenic O=C(CSc1ccccc1)Nc1nnc(-c2ccccc2Cl)o1 4496676 MYJXQPDWOVPHAJ-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB N=c1sc2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 4718338 UUUIDRKMWAVFMJ-ZDUSSCGKSA-N 339.247 4.223 0 40 EIAB CC(C)c1ccccc1OC[C@H](O)CN1CC[C@@H]2CCCC[C@@H]2C1 6087047 YHPJZFFADHNXOR-IPMKNSEASA-N 331.500 4.062 0 40 EIAB COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1OC 6182244 VADYGCRMHBRNAZ-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB CCOc1cc(C(=O)NC2CCC(C)CC2)cc(OCC)c1OCC 6259328 OIMBWDBWHQMDCP-UHFFFAOYSA-N 349.471 4.191 0 40 EIAB c1cc2c(cc1-c1nnc(CC34CC5CC(CC(C5)C3)C4)o1)OCO2 6926791 ZEZIJHWTPTUMQM-UHFFFAOYSA-N 338.407 4.224 0 40 EIAB COCc1cccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c1 7060868 JAMKYQHHJKRHGJ-UHFFFAOYSA-N 346.382 4.283 0 40 EIAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)s1 7192901 CYQDUAYJLFAAIP-JTQLQIEISA-N 329.450 4.119 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 7603251 UIDSOKOJDPEQLK-UYIIGHAYSA-N 329.509 4.393 0 40 EIAB O=C(OCc1cc(-c2ccco2)on1)c1ccccc1C(F)(F)F 7886857 RECZGJWTGUWADQ-UHFFFAOYSA-N 337.253 4.310 0 40 EIAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N(C)C)ncnc32)cc1 8412665 YGAJLWCKZBMMAP-UHFFFAOYSA-N 328.419 4.462 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1 9134564 ADLDAIHPYOOGQK-UHFFFAOYSA-N 348.642 4.411 0 40 EIAB COCc1c(C(=O)Nc2cc(C(C)(C)C)no2)oc2ccccc12 9219062 IAYMFEZRHHSRNG-UHFFFAOYSA-N 328.368 4.117 0 40 EIAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(F)cc1F 10034796 OOWLIEONIHOIKR-SECBINFHSA-N 333.363 4.457 0 40 EIAB Cc1ccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 12112991 LAUVKYXSXLKKCU-HNNXBMFYSA-N 330.384 4.081 0 40 EIAB Cc1ccc(Oc2ccc(OCC(=O)Nc3ccncc3)cc2)cc1 12524765 CORMWJFTMXSPFO-UHFFFAOYSA-N 334.375 4.200 0 40 EIAB CCOc1cc2c(cc1CNC(=O)Nc1ccc(C)cc1)O[C@H](C)C2 12782628 BWERRYSRTQFELI-CQSZACIVSA-N 340.423 4.039 0 40 EIAB Cc1ccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1F 12796633 IHKQZGCWSKJLBJ-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCCc1c[nH]c2ccccc12 12929551 LJVPZGDKIWZZFC-UHFFFAOYSA-N 344.414 4.059 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1c(Cl)cccc1Cl 13265214 KBCZZGONNCEEMZ-DIFFPNOSSA-N 334.250 4.354 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)NCCC1CCCCCC1 13675141 RTUMUUPZTWPBCN-UHFFFAOYSA-N 329.893 4.120 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 13777838 NAORKALMWGJFTQ-CJXOWJITSA-N 348.229 4.251 0 40 EIAB C[C@@H](Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)c1ccccc1 14164098 JGLIAXIOJGMQMZ-LLVKDONJSA-N 337.404 4.418 0 40 EIAB Cc1ccc(C)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1 16701996 GMGNGWWIFAZLMW-UHFFFAOYSA-N 329.268 4.180 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20455049 ZJTIPFXNWCGGGP-IBGZPJMESA-N 327.424 4.221 0 40 EIAB O=c1c(-c2nc(-c3ccccc3Cl)no2)c[nH]c2ccc(F)cc12 20739335 HVAMBSYASLRYPN-UHFFFAOYSA-N 341.729 4.038 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-n2cccc2)cc1 28304010 LMCMPZKWGQMQBI-DQLDELGASA-N 330.431 4.458 0 40 EIAB CN(C)C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 32781222 OKWISOZSPZFHOC-MRXNPFEDSA-N 337.250 4.026 0 40 EIAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1 39757148 CTALIWTXFZJLGO-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB Cc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1Cl 40088896 QBXXLFITKARBRZ-UHFFFAOYSA-N 345.830 4.431 0 40 EIAB Fc1ccc(-c2cnc(SCc3nc(-c4ccco4)no3)o2)cc1 44127244 JFDDDRRZKSHIML-UHFFFAOYSA-N 343.339 4.416 0 40 EIAB CCN(Cc1cccs1)C(=O)NCc1nc2ccccc2s1 44892630 OOMUELRVNMWOOD-UHFFFAOYSA-N 331.466 4.090 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl 58159456 VSFPVGRGURIBMS-CQSZACIVSA-N 326.783 4.075 0 40 EIAB Cc1ccccc1SCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 58378339 YMUROJBCRYIPTJ-XLIONFOSSA-N 341.476 4.124 0 40 EIAB CC(C)Cc1nc(C(=O)N(C)c2nc3ccccc3s2)cs1 63575044 XNTNHKONYDKJQW-UHFFFAOYSA-N 331.466 4.228 0 40 EIAB CC(C)CCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 65603587 RAMVZBZVEURLQM-OAHLLOKOSA-N 345.418 4.018 0 40 EIAB COc1ccc(OC)c(NC(=S)Nc2cccc(SC)c2)c1 71761280 QWQTWIGLJWFONW-UHFFFAOYSA-N 334.466 4.235 0 40 EIAB Cc1nn([C@@H](C)CC(=O)Oc2ccc(Cl)cc2)c(C)c1Cl 75146145 UEKVTCWBSNSRCQ-VIFPVBQESA-N 327.211 4.363 0 40 EIAB Fc1ccc(-c2noc(CN(CC3CC3)C3CCCCC3)n2)cc1 78459102 RTCZKVZSNTVVBH-UHFFFAOYSA-N 329.419 4.420 0 40 EIAB CN(C)c1ccc(N(C)Cc2ccc(OCc3ccccn3)cc2)cc1 89326570 ZSSLHGGZLBYMKA-UHFFFAOYSA-N 347.462 4.363 0 40 EIAB CS(=O)(=O)Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H](C2CC2)C1 92169864 VXCOAILFJZCUIU-CZUORRHYSA-N 341.904 4.265 0 40 EIAB CN(C(=O)c1ccc2sccc2c1)c1ccc(Br)cn1 95414650 QSMJNPRTFFCLNQ-UHFFFAOYSA-N 347.237 4.335 0 40 EIAB C[C@H](N[C@H]1CCc2c(F)cc(Br)cc21)c1ccncc1 95967103 HASZEFNXAZPMFZ-QFYYESIMSA-N 335.220 4.321 0 40 EIAB O=[S@](Cc1csc([C@H]2CCCO2)n1)c1ccc(F)c(Cl)c1 95976106 PQUPACGJBGTNDK-ASSNKEHSSA-N 345.848 4.095 0 40 EIAB Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)o1 96057050 WRVXBSFJSCWAGD-LEWJYISDSA-N 347.499 4.166 0 40 EIAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 96296171 UYMACDVRAUNZGZ-LBPRGKRZSA-N 339.892 4.211 0 40 EIAB biogenic,in-vitro Cc1cc(-c2c(C)nn(-c3ccccc3)c2O)n(-c2ccccc2)n1 100920366 XRDAADOHRZVCOV-UHFFFAOYSA-N 330.391 4.047 0 40 EIAB Cc1ccc(C)c(NC(=O)CCC(=O)[C@@H](C)C(=O)c2ccccc2)c1 104274195 RUSWTKJDTSPYAR-MRXNPFEDSA-N 337.419 4.110 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3snnc3c2)C1 107986362 AHJZECISHDRUFX-YVEFUNNKSA-N 346.525 4.289 0 40 EIAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118917980 LDIFWCUQQYZOLG-MQPXRRTRSA-N 346.511 4.020 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC4(CC[C@]3(C)[C@H]1[C@@H](O)C2)OCCO4 118940822 OBDZFYATKFZBLA-HSXTZPDUSA-N 334.500 4.133 0 40 EIAB C[Si](C)(C)c1c(Cl)ccc(I)c1Cl 195960781 QOIATCPNZQOQDM-UHFFFAOYSA-N 345.083 4.143 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 219499602 NSLWZLQPTNDXBT-FUHWJXTLSA-N 341.451 4.366 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)COc2cccc3ccccc23)c1 224085119 UZFKNMWDEAAYLK-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB Cc1c(Cl)cccc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225070606 PRBKQKYXLGXCNE-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCOc1ccccc1NC(=S)N[C@@H](C)COc1ccccc1C 225634712 ZDWXSNDTMACBKH-HNNXBMFYSA-N 344.480 4.148 0 40 EIAB CCOc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225662264 FHCGZCVMSIVIHE-UHFFFAOYSA-N 341.451 4.456 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccccc2C)c1C 225753492 ILFJDZOEJCUAHS-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1 225793327 WUYXLRMBCKKVDI-UHFFFAOYSA-N 337.810 4.282 0 40 EIAB Cc1nc(C)c(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)s1 409412778 BYYHVTOLNXRNNT-VVLHAWIVSA-N 326.465 4.072 0 40 EIAB Cc1cc(C)n([C@H](CNC(=O)Nc2cccs2)c2cccs2)n1 575611487 VPDQQRXXVFKZMP-CYBMUJFWSA-N 346.481 4.034 0 40 EIAB Cc1n[nH]c(C)c1CNC1CCN(c2ccc(C(C)(C)C)cc2)CC1 1656202334 UIYRDZOCPSPGON-UHFFFAOYSA-N 340.515 4.083 0 40 EIAB CC(=O)Oc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 104997 MVPUUVPCHMHFOY-UHFFFAOYSA-N 340.404 4.091 0 40 EIAB CCc1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)s1 279898 SCJKBHUQLLHXAB-UHFFFAOYSA-N 345.468 4.166 0 40 EIAB COCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1 412370 WXLMFMCYRWXYLD-UHFFFAOYSA-N 346.858 4.114 0 40 EIAB CC[C@H](C)n1c(N)c(C(=O)O[C@H](C)CC)c2nc3ccccc3nc21 542165 MXHWYMCDLGFBJF-NWDGAFQWSA-N 340.427 4.093 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 568898 QIHZTDSKXYSKKH-UHCBGPFTSA-N 327.468 4.418 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)n1oc(=O)cc1-c1ccccc1 1386464 ZXLRBOFJNIVBSG-UHFFFAOYSA-N 334.158 4.104 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3428466 RUFJTGBERFBNPP-JOCHJYFZSA-N 344.458 4.386 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)Cc1c[nH]c2ccccc12 3438565 IAGQHPIXEPRIDM-UHFFFAOYSA-N 328.799 4.320 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1 3549420 UUCJIRRUTDVKDD-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887768 HGGPSNUYMCSXLD-SESVDKBCSA-N 336.431 4.342 0 40 EIAB COc1ccc(F)cc1COC(=O)c1cc(C)nc2ccccc12 5355634 LOGRZTAEYNKGET-UHFFFAOYSA-N 325.339 4.048 0 40 EIAB CCCC[C@H](CC)C(=O)Nc1ccccc1I 5707952 CBZRIZZDWYRRGE-NSHDSACASA-N 345.224 4.446 0 40 EIAB O=C(Cc1cccc2ccccc12)OCc1nnc(-c2ccccc2)o1 5713872 UJTJSAPAQFAPFY-UHFFFAOYSA-N 344.370 4.176 0 40 EIAB CCCN(CCC)C[C@@H](O)c1ccc2cc3c(nc2c1)CCCC3 5838711 ZZCDTEJMYPFQTG-OAQYLSRUSA-N 326.484 4.269 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 7007832 RCRSAWAGBHILBB-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB CC(C)[C@@H](Nc1ncnc2sccc12)c1ccc2c(c1)OCCO2 7467902 AUPILXZAEOSHMO-MRXNPFEDSA-N 341.436 4.272 0 40 EIAB CCOc1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl 7974913 PTZPQHBHPMPYBB-UHFFFAOYSA-N 339.222 4.443 0 40 EIAB CCOc1ccc(OCCSc2nc(-c3cccs3)n[nH]2)cc1 8230649 CHPSAMSTWBLANA-UHFFFAOYSA-N 347.465 4.103 0 40 EIAB COc1ccccc1CNC(=O)c1cc(C(C)C)nc2ccccc12 8395717 KWFVVIGUISVKLF-UHFFFAOYSA-N 334.419 4.297 0 40 EIAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2F)s1 9358573 CZQBOGDWUBVAKR-ZDUSSCGKSA-N 341.411 4.471 0 40 EIAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1ccc(Cl)cc1 9694301 RJELQVVIGKCPNY-UHFFFAOYSA-N 335.812 4.077 0 40 EIAB COc1ccc(SCCC(=O)Nc2nc3c(s2)CCCC3)cc1 10219546 YYLHODOBKLZYFS-UHFFFAOYSA-N 348.493 4.151 0 40 EIAB CSc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10252267 NVDSUJJIQYHGTQ-UHFFFAOYSA-N 341.461 4.108 0 40 EIAB Cc1ccc2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2c1 10635285 VZPQFRFDPOGLLB-UHFFFAOYSA-N 342.395 4.345 0 40 EIAB O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1cccs1 10774947 ZXZKQPIGGFOPJB-UHFFFAOYSA-N 348.855 4.280 0 40 EIAB COc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1OC 12621617 FETBNNBFQSQYOV-UHFFFAOYSA-N 332.208 4.324 0 40 EIAB Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(F)c1 12771492 PORIOVWODMDCLV-UHFFFAOYSA-N 349.789 4.130 0 40 EIAB Cc1c(C(=O)N[C@H](c2ccccc2)C2CC2)cnn1-c1ccccc1 12899201 QVCOPBJTUNQIQD-HXUWFJFHSA-N 331.419 4.062 0 40 EIAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc2ccccc2n1 13007867 PFMBFTBOMUKNCR-UHFFFAOYSA-N 332.281 4.386 0 40 EIAB CCN1CCN(c2cc(-c3ccccc3)c3ccc(OC)cc3n2)CC1 13076039 LUCFZXRVGHAVAU-UHFFFAOYSA-N 347.462 4.052 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(Cl)c(Cl)c1 13265230 QMOOQOPCUWJKBH-PXAZEXFGSA-N 334.250 4.354 0 40 EIAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 13668502 LTUAVEXIYOMJJW-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(N)cc1 17070812 DJEIIMSIJWXHTD-SNVBAGLBSA-N 336.844 4.050 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 17193730 MOXNGQHQTURADE-AWEZNQCLSA-N 343.854 4.475 0 40 EIAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccccc1C(F)(F)F 19210134 MZYRXHKKQUJFEM-UHFFFAOYSA-N 349.308 4.051 0 40 EIAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 19927122 COAUVGSDHFECQS-QGZVFWFLSA-N 333.840 4.123 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1C 20046450 QGOGVVILIUDHIW-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 20046900 ZBOPRHOMTMVUGS-INIZCTEOSA-N 341.451 4.131 0 40 EIAB COCc1cccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 22257407 BOYVQSDYVJHUBA-CQSZACIVSA-N 327.449 4.364 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C 22319838 XEKDXCQECAQJEP-QGZVFWFLSA-N 335.451 4.147 0 40 EIAB CC[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1 24798497 FAZZZGUSVXGHLS-AWEZNQCLSA-N 346.858 4.204 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC(F)F)c2cccnc12 31094369 BEACIXQRDQAYAM-UHFFFAOYSA-N 328.318 4.397 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c2ccccc12 32601917 YQPIWRRUMONVJC-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB CCOc1ccc2c(c1)[C@H](SCCC(=O)O)CC1(CCCC1)O2 32918806 TWBORUDDGBKBQZ-MRXNPFEDSA-N 336.453 4.430 0 40 EIAB CCCCc1nnc(NC(=O)c2csc(-c3ccc(C)o3)n2)s1 33151862 GMFUJIVLGGOJGA-UHFFFAOYSA-N 348.453 4.158 0 40 EIAB CCc1nc(NC(=O)c2cc(F)ccc2Br)sc1C 40118920 RWLFOYSYLYWIMY-UHFFFAOYSA-N 343.221 4.168 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 40120667 XYPPROXWUPMPDR-ZDUSSCGKSA-N 327.384 4.138 0 40 EIAB CCCCn1ccc2c(cnc3c(-c4ccccc4)c(CC)nn32)c1=O 40387810 YLNUPLCCGKKDDC-UHFFFAOYSA-N 346.434 4.074 0 40 EIAB CCCc1cc(Br)ccc1OCC[C@@H]1CCCCN1 42770287 SHIFCZZXVWGMKP-HNNXBMFYSA-N 326.278 4.313 0 40 EIAB CC(=O)Nc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)oc2C)c1 48234906 HFWJCINAMZSSMM-UHFFFAOYSA-N 349.390 4.169 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1cccs1 48301566 ZPKAJNGDUNZWFP-HUUCEWRRSA-N 328.437 4.118 0 40 EIAB O=C(Nc1ccccc1)c1cccc(CSC2=NCCS2)c1 54428644 ZDAAQYRORIFXEP-UHFFFAOYSA-N 328.462 4.275 0 40 EIAB C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 58167230 WXNDFKXIAJAKMC-ZWNOBZJWSA-N 340.250 4.071 0 40 EIAB CCN(CC)c1nc2sc(C(=O)NC3(C)CCCC3)cc2s1 58364285 BBWLJVQYFRLWOD-UHFFFAOYSA-N 337.514 4.267 0 40 EIAB CC(C)n1ncc2cc(NC(=O)NCc3cc4ccccc4o3)cnc21 61352722 RYTYPEPXNHERGQ-UHFFFAOYSA-N 349.394 4.080 0 40 EIAB O=C(Nc1ccccc1OCc1cscn1)c1cc2ccccc2[nH]1 69352142 RDPIQXNTDPTNJH-UHFFFAOYSA-N 349.415 4.456 0 40 EIAB CC(C)NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 71279687 PZPYCZRHZXWMDB-CYBMUJFWSA-N 330.255 4.030 0 40 EIAB CC(C)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 71829982 JFLHBPPUNHHUBJ-MRXNPFEDSA-N 348.393 4.199 0 40 EIAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1nnc(C2CCC2)o1 71893972 XHVKZSONBVZZJY-UHFFFAOYSA-N 341.194 4.426 0 40 EIAB Cc1ccc2oc(CN(Cc3ccco3)Cc3nnc(C)o3)cc2c1 71916179 WCJQGRDQEWXCQN-UHFFFAOYSA-N 337.379 4.228 0 40 EIAB Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCc2ccccc2C1 72222850 JYQCHCRFVWCCMA-NRFANRHFSA-N 330.431 4.034 0 40 EIAB CCN(CC)c1cc(NC(=O)c2ccc(OC)cc2)c(Cl)cc1N 72229589 KYGHJGGQVAIXFU-UHFFFAOYSA-N 347.846 4.029 0 40 EIAB O=C(NCC[C@@H](O)c1ccccc1)c1sc2ccccc2c1Cl 72242743 GSXKDFPBTRBSQP-CQSZACIVSA-N 345.851 4.408 0 40 EIAB Cc1cccc(OCCn2c(CN3CCCC3)nc3ccccc32)c1C 76555526 OZTXUQQXXHCNOB-UHFFFAOYSA-N 349.478 4.328 0 40 EIAB CO[C@H]1CCCC[C@@H]1OC(=O)c1sc(Cc2ccccc2)nc1C 84064419 BPOZIUSPGKIUOM-HOTGVXAUSA-N 345.464 4.157 0 40 EIAB O=C(Nc1nc2ccccc2s1)N1CCc2c(F)ccc(F)c2C1 84068919 DQNQFTXFVIFJTK-UHFFFAOYSA-N 345.374 4.165 0 40 EIAB CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 84757328 WNXXSNBMCXTWSD-HNNXBMFYSA-N 345.874 4.038 0 40 EIAB COc1ccc(SCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 85472350 AXWAJRVCKZQQAS-QGZVFWFLSA-N 345.508 4.382 0 40 EIAB COc1ccc(F)cc1NC(=O)c1ccc(F)cc1C(F)(F)F 92872909 YCHRNEBHNRKJRA-UHFFFAOYSA-N 331.240 4.245 0 40 EIAB CC(C)(C)c1ccc(NC(=O)Nc2cnn(C3CCOCC3)c2)cc1 96104615 GAFTZLJCROTOIC-UHFFFAOYSA-N 342.443 4.176 0 40 EIAB CC[C@@H](C)CN(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 96407986 MGLULQODDPTCIQ-QKFKETGDSA-N 338.517 4.244 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3ccc(C)cc3)c(C)n2)cc1 222576183 AFSHYHNQDGOHCW-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1 222634596 COWVWQCTZGMOQI-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 222998927 AMITYUKNNJQIJU-HZPDHXFCSA-N 325.452 4.456 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224131332 ZAPGIVTVTHPKMC-ZDUSSCGKSA-N 347.842 4.456 0 40 EIAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COC(C)C 224421910 QIRMKDHUTMDMQA-UHFFFAOYSA-N 331.456 4.241 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 225150887 RPRQSWXYGXZXSV-INIZCTEOSA-N 325.408 4.036 0 40 EIAB COc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1 225336722 MVYZRDRAKRCVQB-UHFFFAOYSA-N 346.521 4.223 0 40 EIAB COc1cccc(CCCNC(=S)Nc2ccccc2Cl)c1 225552459 GRMBMYBSRKSYIG-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB COC1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCSCC1 225594626 ZVDXSGKXYXGOLB-UHFFFAOYSA-N 349.283 4.027 0 40 EIAB Cc1ccc(NC(=O)C2=C[C@@H]3Oc4ccccc4[C@@H]3C=C2O)cc1C 255188148 IRYVECFMTPEKEI-JXFKEZNVSA-N 333.387 4.169 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257272586 NCYZMEZNIOXWPS-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257323170 WJADWYCBAWEFQR-IKRSMLIOSA-N 337.410 4.126 0 40 EIAB CN(C(=O)COc1cccc(Cl)c1)[C@H]1CCCc2ccccc21 514651489 DCPWQPGBBQJMKK-SFHVURJKSA-N 329.827 4.255 0 40 EIAB CCN(C(=O)c1cc2occc2s1)c1ccc(OC)c(OC)c1 605451529 ARDPRDLEKRAWNX-UHFFFAOYSA-N 331.393 4.178 0 40 EIAB c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 116375 LKOBDBGCQQSYIZ-TZIWHRDSSA-N 327.387 4.324 0 40 EIAB O=C(Nc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 152000 RNZVSHRXXKXIDE-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 298880 JJDSUPROAPQFLB-MSOLQXFVSA-N 337.375 4.084 0 40 EIAB COc1cccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c1 354035 MZXLSEBFYXRLLN-UHFFFAOYSA-N 348.354 4.134 0 40 EIAB COC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 386791 LEXZXNMSSMJPKV-UHFFFAOYSA-N 338.388 4.219 0 40 EIAB Cc1sc2ncnc(SCC(=O)Nc3cccc(F)c3)c2c1C 411905 KXCSGABQFHZAPJ-UHFFFAOYSA-N 347.440 4.178 0 40 EIAB Cc1cccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)c1 541703 NYFNEODJTNPUTQ-MRXNPFEDSA-N 344.418 4.134 0 40 EIAB Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(N)=O)sc3n2)cc1 1279910 UTAPRZQQILJQMF-UHFFFAOYSA-N 349.415 4.213 0 40 EIAB COc1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1 3123388 LMLNCDWVBWJMNN-UHFFFAOYSA-N 325.393 4.463 0 40 EIAB Cc1ccccc1-c1nnc(NC(=O)CSc2ccccc2)s1 4174411 IOKJNSBPMBMUJW-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C 4217604 JUNDJWOLDSCTFK-MTZCLOFQSA-N 342.479 4.149 0 40 EIAB investigational Cc1ccc(OCc2nnc(S)n2-c2ccc(Cl)cc2)cc1 5687762 DKWOJXUFYZVFNU-UHFFFAOYSA-N 331.828 4.097 0 40 EIAB COc1ccccc1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 7644089 OIWMYJWUVBPEHL-OUKQBFOZSA-N 344.414 4.442 0 40 EIAB CCOc1cc(C(=O)NCc2ccccc2Cl)cc(Cl)c1O 7779027 RUPZSIALRHCWNF-UHFFFAOYSA-N 340.206 4.028 0 40 EIAB C[C@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 7981188 DLVFVHNKEMSGIL-KXBFYZLASA-N 340.492 4.058 0 40 EIAB CC(=O)Nc1ccc(Sc2ncnc3sc4c(c23)CCC4)cc1 7983549 AHNBSGCSADTZBS-UHFFFAOYSA-N 341.461 4.290 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(Cl)cc1 8062486 AGDUVUCZJDLRFU-UHFFFAOYSA-N 330.840 4.151 0 40 EIAB COc1ccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)cc1 8116362 KPVVACQSHOHBDE-CIAFOILYSA-N 335.359 4.062 0 40 EIAB CCOc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F 8181719 MROBZOKHZCDNDO-GFCCVEGCSA-N 335.350 4.178 0 40 EIAB COc1cccc(CNC2CCCC2)c1OCc1ccc(F)cc1 8495359 XLGXEUSMYNDEKF-UHFFFAOYSA-N 329.415 4.446 0 40 EIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cc(C)ccc1C 8587039 HYEAEWRFUMZUPT-OAQYLSRUSA-N 347.462 4.385 0 40 EIAB FC(F)(F)c1nnc2ccc(Oc3cc(Cl)ccc3Cl)nn12 8724044 SEMVWWXCOFOYOR-UHFFFAOYSA-N 349.099 4.242 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1 9389735 QINMLOVBSKPWKY-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 9677779 OOOCVRFAAPNTQC-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCCCCC[C@H](C)NC(=O)CC(C)(C)CC(=O)N(CC)CC 9763667 AFMSERXTUQLJNF-INIZCTEOSA-N 326.525 4.136 0 40 EIAB Cc1ccccc1OCCSc1nc(-c2ccccc2F)n[nH]1 9836888 DDYWMICFKWGFRA-UHFFFAOYSA-N 329.400 4.090 0 40 EIAB O=C(OCc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 10386834 NFYZJEMGVNQGCV-UHFFFAOYSA-N 349.169 4.457 0 40 EIAB Clc1cccc(CCNc2ncnc3sc4c(c23)CCC4)c1 12620047 UWSSFUXSJZNTLS-UHFFFAOYSA-N 329.856 4.488 0 40 EIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSC(C)(C)C 13709173 QFMSUHAQZQBTGF-CQSZACIVSA-N 331.481 4.255 0 40 EIAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 14002647 HTCRKPLOJDYTMU-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB O=C(Nc1nc2ccccc2s1)[C@@H]1COc2ccc(Cl)cc2C1 14239942 SAEWDCMQHMJJDM-NSHDSACASA-N 344.823 4.140 0 40 EIAB Cc1ccc(SCc2cc(O)n(-c3nc4ccccc4o3)n2)cc1 14607846 NVYUNNGVQDXSAN-UHFFFAOYSA-N 337.404 4.320 0 40 EIAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2ccccc2)cc1 20138861 JXGXEZVDQPGSBJ-UHFFFAOYSA-N 333.343 4.010 0 40 EIAB Fc1ccc([C@@H](CCN2CCOCC2)c2ccc(Cl)cc2)cc1 20591206 HXIGEHGZVUBWJV-IBGZPJMESA-N 333.834 4.333 0 40 EIAB O=C(CCn1ccc2ccccc21)NCCc1cccc(Cl)c1 21925100 OCIBNKIHIOIJGF-UHFFFAOYSA-N 326.827 4.044 0 40 EIAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccncc1 23055156 RUBBNTVPRGVBOQ-NYYVNYEXSA-N 340.426 4.109 0 40 EIAB CN(CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCc2ccccc21 23146090 HMRWABYNFASQFP-SFHVURJKSA-N 328.843 4.288 0 40 EIAB COc1ccc(CN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 23493506 BFTSFSZDOIOCQI-UHFFFAOYSA-N 341.451 4.274 0 40 EIAB O=C(Nc1ccccc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 27355229 QMAMOHJQHBWNET-IBGZPJMESA-N 346.434 4.131 0 40 EIAB Cn1ccnc1[C@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 30644159 RZJAXZLZUVPEQW-QGZVFWFLSA-N 329.806 4.092 0 40 EIAB Cc1ccccc1CC(=O)NCc1cccc(COCc2ccco2)c1 32915071 OQSUMSFNPNALAH-UHFFFAOYSA-N 349.430 4.164 0 40 EIAB O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccsc1 36398561 FOIFNYXQGXIYPX-CQSZACIVSA-N 336.254 4.488 0 40 EIAB O=C(OCc1ccccn1)c1csc(-c2cccc(Cl)c2)n1 36725738 ITVIIYTWOFTZPX-UHFFFAOYSA-N 330.796 4.216 0 40 EIAB CCOc1ccc(Nc2cc(C(=O)OC)nc3c(F)cccc23)cc1 38486817 RUZJEHJDXXJOIQ-UHFFFAOYSA-N 340.354 4.303 0 40 EIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38833883 XFLLGSMEANELSU-OAHLLOKOSA-N 346.833 4.330 0 40 EIAB CCOc1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)ccc2c1 41091998 QLBRMHOVAXIVSZ-KUHUBIRLSA-N 347.480 4.096 0 40 EIAB CCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124320 PMHRUZNSOCBDSA-UHFFFAOYSA-N 346.843 4.306 0 40 EIAB CCc1ccccc1C(=O)c1ccccc1I 43210152 BZYCJTILUZCUQL-UHFFFAOYSA-N 336.172 4.085 0 40 EIAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCc1ccco1 44225866 ZFBWTYUDWJQVIF-UHFFFAOYSA-N 339.366 4.460 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 46864132 NTPUZHOZONLPJM-UHFFFAOYSA-N 325.799 4.002 0 40 EIAB C[C@H](NC(=O)Nc1ccc(Br)cc1F)c1ccco1 48332911 GNPPFLORPXMECK-QMMMGPOBSA-N 327.153 4.064 0 40 EIAB CCc1c(C(=O)N[C@H](C)c2cc(C)sc2C)[nH]c(C)c1C(C)=O 52579886 IUZYWJODPJNYFD-SNVBAGLBSA-N 332.469 4.257 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)[nH]n1 57413521 DAIOACYUEQMBHQ-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)c2c(C)n[nH]c2n1 58218803 QYAGQLOVIJWEEC-QGZVFWFLSA-N 336.439 4.092 0 40 EIAB O=C(c1ccc2[nH]cnc2c1)N1CCC(c2cc3ccccc3[nH]2)CC1 58281828 LNKVVNXSOUOXPR-UHFFFAOYSA-N 344.418 4.064 0 40 EIAB CN(CCc1ccccn1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 63682667 GOUJKXDCAFLACZ-UHFFFAOYSA-N 345.855 4.106 0 40 EIAB C[C@@H](O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl 75147290 JSRVJEKVWPVWDA-SNVBAGLBSA-N 339.222 4.097 0 40 EIAB CC(=O)N(c1nc(CN2CCC[C@H]2c2ccsc2)cs1)C1CC1 79354049 UCASSXGTDWTMBP-INIZCTEOSA-N 347.509 4.057 0 40 EIAB COc1ccc2[nH]cc(C3CCN(CC4(O)CCCCC4)CC3)c2c1 83970149 RXZBNTRUKLAWIJ-UHFFFAOYSA-N 342.483 4.051 0 40 EIAB C[C@@H](CCSc1ccccc1)N1CCC(OC2CCOCC2)CC1 95428293 DCICTRRJPQDPMP-KRWDZBQOSA-N 349.540 4.217 0 40 EIAB CC(C)n1c(CNc2nnc(-c3ccccc3)o2)nc2ccccc21 96003728 MZHOEHFXSPZCNV-UHFFFAOYSA-N 333.395 4.279 0 40 EIAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C 96659751 RYKDGQYKUBIRTL-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 113959816 QDOBSPHMPWCNPJ-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1 113970129 HNSLJQDOXHZQBO-HXUWFJFHSA-N 341.451 4.176 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(Cl)cc1 113970622 CHHYDPDVGJHBLP-GOSISDBHSA-N 331.843 4.431 0 40 EIAB CC[C@@H](NC(=O)N(C)CC1(c2ccccc2)CC1)c1c(C)noc1C 189559430 ZHXRDFGGBAONML-QGZVFWFLSA-N 341.455 4.116 0 40 EIAB FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)[nH]1 216926924 AWDMVUDJSUODHK-UHFFFAOYSA-N 328.146 4.423 0 40 EIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1 224287709 GHYCVAFBZOYFHS-HNNXBMFYSA-N 337.394 4.105 0 40 EIAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224712209 SPFPKUZCJHGRRC-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225005223 MCEACIFOVCGDLM-HZPDHXFCSA-N 343.521 4.367 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 225213455 OFIZSCIMYCECEY-UHFFFAOYSA-N 347.480 4.455 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2cc(C)ccc2C)c1 225765426 PBEYXYUBDBBSGU-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1 225884951 CXUKCNVWAVAIIA-UHFFFAOYSA-N 336.476 4.205 0 40 EIAB Cc1ccc(OC(=O)CCCCCNC(=O)c2ccccc2)cc1C 408729881 DVCPCKCRZUUKBB-UHFFFAOYSA-N 339.435 4.199 0 40 EIAB C[C@@H](c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)C(F)(F)F 583651421 LEQQEUPFNCPMDR-JTQLQIEISA-N 337.297 4.303 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 585081916 ZOYPFEDCYRIOFY-LJQANCHMSA-N 326.444 4.002 0 40 EIAB Cc1nccnc1[C@H](C)NCCc1c(C(F)(F)F)[nH]c2ccccc12 631677991 HGOQFLLKPVBWRQ-NSHDSACASA-N 348.372 4.178 0 40 EIAB CC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 142424 ISWIQHBSJKIKGQ-UHFFFAOYSA-N 325.408 4.339 0 40 EIAB CCOc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1OCC 147584 PBJMLMNXIGKIMQ-UKTHLTGXSA-N 326.392 4.411 0 40 EIAB Fc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 526255 TZKNYNZUQAYZSG-CVEARBPZSA-N 328.778 4.217 0 40 EIAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3F)nc1-2 792520 RITPOJGMCCHRSV-UHFFFAOYSA-N 340.379 4.114 0 40 EIAB CCSc1ccccc1C(=O)Nc1nnc(CC(C)(C)C)s1 1010423 HENUOTAPACPLPL-UHFFFAOYSA-N 335.498 4.491 0 40 EIAB CCOP(=O)(OCC)C(=O)Nc1ccc(Br)cc1 1594215 IBAABHUZBRQUNH-UHFFFAOYSA-N 336.122 4.247 0 40 EIAB O=c1cc(CN2CCCCC2)c2cc(O)c(-c3ccccc3)cc2o1 2112468 UBFUFMRKRXNGPA-UHFFFAOYSA-N 335.403 4.152 0 40 EIAB biogenic Cc1cccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)c1 2402460 SHQHPVSQMOGEEY-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1 2652248 DMVKCZIBAREAPM-AWEZNQCLSA-N 349.434 4.469 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nccs2)cc1 4548644 BHLVOLVQRCQTHW-IZZDOVSWSA-N 349.415 4.047 0 40 EIAB CC(C)(C)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 5367840 NFDADKDSJQIHEC-UHFFFAOYSA-N 339.435 4.099 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccs1 6747858 WPTFRLMWVLOAEE-QGZVFWFLSA-N 341.411 4.233 0 40 EIAB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1CCC1=CCCCC1 8042227 QKSWUXHEBFEXFE-UHFFFAOYSA-N 343.496 4.147 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 9136990 OPKLASCEJSJQOC-UHFFFAOYSA-N 328.437 4.080 0 40 EIAB CCSc1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)cc1 10252524 ITVZJAYGVCJJNL-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB C[C@H](Sc1ncccn1)C(=O)n1c2ccccc2c2ccccc21 10381937 LGDQSLJZQMMKDN-ZDUSSCGKSA-N 333.416 4.406 0 40 EIAB CCn1c(NC(=O)CCn2ccc3ccccc32)nc2ccccc21 10652283 LHASJDNVTWLLDF-UHFFFAOYSA-N 332.407 4.040 0 40 EIAB O=C(CNc1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1 10850772 WNQLDLDJGXLTNC-UHFFFAOYSA-N 344.720 4.289 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 12779497 OMOSVTPCIKDKSI-GOSISDBHSA-N 348.849 4.292 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 12941740 MFUAZQKWXCYIEC-UHFFFAOYSA-N 344.367 4.293 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(C)c2)cc1OCC 13646992 VDFYCUYOTNKAFS-OAHLLOKOSA-N 327.424 4.283 0 40 EIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 13675656 OIKSXDCDHLICHH-AWEZNQCLSA-N 343.448 4.291 0 40 EIAB CC1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)CC1 14003897 UCRYGGPWAGWCLC-VAWYXSNFSA-N 348.446 4.211 0 40 EIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(F)cc1 15397987 NQXMIIKPUSVQDK-UHFFFAOYSA-N 341.407 4.221 0 40 EIAB C[C@@H]1CCCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 20460885 MNJHMQCWAIQXJI-QGZVFWFLSA-N 334.463 4.121 0 40 EIAB CCOC(=O)Nc1cccc(OCCOc2cccc(Cl)c2)c1 20866004 MBQQFDPFQIQDAE-UHFFFAOYSA-N 335.787 4.366 0 40 EIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3cccc(Cl)c3)oc2c1 20867815 RDVQRRBOGOKZIC-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C(C)C 21596251 OOWZPBBJTBSPJS-UHFFFAOYSA-N 342.464 4.254 0 40 EIAB CCc1ccc([C@@H](CNC(=O)[C@@H](CC)c2ccccc2)N(C)C)cc1 22684809 YQOMTSRWUYFXTA-LEWJYISDSA-N 338.495 4.162 0 40 EIAB Fc1ccccc1-c1n[nH]c(SCCOc2cccc(Cl)c2)n1 22859287 HCBRUNWDAKXBHZ-UHFFFAOYSA-N 349.818 4.435 0 40 EIAB CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 25377100 SECSLRQCFAMMLN-UHFFFAOYSA-N 333.313 4.392 0 40 EIAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]132 25629112 VGIBLOMXKRYQHG-ADGKCSTMSA-N 330.468 4.140 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)C1(C)C 32282649 COQILXKXMUTOMO-IDHHARJASA-N 343.467 4.264 0 40 EIAB Cc1ccsc1C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32609676 MXNBIRZKYBRLPC-UHFFFAOYSA-N 349.818 4.346 0 40 EIAB CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 32905693 OMINPKWARLOMCG-KRWDZBQOSA-N 333.353 4.394 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 32914213 QESPPESNOULDFD-DYVFJYSZSA-N 345.402 4.082 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 36623138 MWSSJHFGCCHVBV-HNNXBMFYSA-N 341.451 4.076 0 40 EIAB CC(=O)c1nnc(-c2oc3ccccc3c2C)n1Nc1ccc(C)cc1 36649159 MQWKRIBPMJQHGB-UHFFFAOYSA-N 346.390 4.386 0 40 EIAB O=C(Cc1cccc2cccnc12)NCCCSc1ccccc1 40034483 IWHPUCDMTKQGPO-UHFFFAOYSA-N 336.460 4.076 0 40 EIAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(OC(F)F)cc1 44617031 WCYIHFACIPXIDD-JTQLQIEISA-N 348.374 4.389 0 40 EIAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(F)cc1 56348394 BGDMVLNQRLQBTR-MRXNPFEDSA-N 329.371 4.026 0 40 EIAB COc1cc(C)c(CN(C)Cc2nc3ccccc3s2)cc1OC 56696787 NIXUAHSBRUTVAA-UHFFFAOYSA-N 342.464 4.254 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(O)c(Cl)c1 58063591 DVZPHTBBGFRXLB-UHFFFAOYSA-N 327.767 4.216 0 40 EIAB CCc1nc(CCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)sc1C 69742998 DGVJHYIWVKUJHO-NEPJUHHUSA-N 348.434 4.041 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)Nc1ccccc1N1CCCC1=O 75109163 FTVVYSLMFNEJAM-UHFFFAOYSA-N 331.460 4.150 0 40 EIAB CC[C@H](NC(=O)N[C@@H](C)c1c(C)noc1C)c1cc(F)ccc1F 76019951 UQVGDOZWQYWLFB-VFZGTOFNSA-N 337.370 4.081 0 40 EIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1NCc1cccnc1 81729005 UQQYEGHPONHMLC-UHFFFAOYSA-N 342.402 4.427 0 40 EIAB O=C([C@@H]1CC1(Cl)Cl)N(CC(F)F)c1cccc(Cl)c1 84804143 ZESJJJRCFIAPMV-VIFPVBQESA-N 328.573 4.132 0 40 EIAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccs1 85474128 YGPJHOOXXQQTHY-UHFFFAOYSA-N 333.459 4.032 0 40 EIAB O=C(CCC1CCOCC1)N[C@H](c1cccnc1)C1CCCCC1 95403513 BANPOQXXTNCCTA-FQEVSTJZSA-N 330.472 4.026 0 40 EIAB O=[S@](Cc1ccc(Oc2ccccc2)c(F)c1)CC1CCOCC1 95439199 UMXRVSJOSOKBKQ-XMMPIXPASA-N 348.439 4.293 0 40 EIAB COc1cccc(F)c1[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 96478591 KQVKRGFXFMVTSU-STQMWFEESA-N 330.403 4.205 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)OC2=O 100261221 MTEKMBMHBCVBJU-HOTGVXAUSA-N 343.206 4.021 0 40 EIAB Cc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(F)cc23)c1 101166957 IPRMWIFSEBYCAX-MAUKXSAKSA-N 328.412 4.069 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)n1 148433733 DFJWDFIBXHGFRC-SFHVURJKSA-N 347.462 4.348 0 40 EIAB Cc1c(NC(=O)Cc2ccccc2)cccc1NC(=O)c1ccccc1 193393781 VEEFUBFOWKMVJH-UHFFFAOYSA-N 344.414 4.429 0 40 EIAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c1 199811203 GHYRDAJFZLXMNN-UHFFFAOYSA-N 328.368 4.192 0 40 EIAB CCSc1ccccc1C(=O)NCC[C@H](CCO)c1ccccc1 206625824 DUHCPXQDFWZPAA-QGZVFWFLSA-N 343.492 4.085 0 40 EIAB CCOC(=O)c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 216944807 XVLALCJCZVLSLR-UHFFFAOYSA-N 339.174 4.389 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 219067447 LSKNGOWTOQRQMU-GOSISDBHSA-N 325.452 4.128 0 40 EIAB CC1(C)C[C@@H](NC(=O)CCc2ccccc2F)c2ccccc2O1 222831897 XLTBDPTYRMEQOQ-QGZVFWFLSA-N 327.399 4.177 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc2c(c1)CCC2 223205260 KQFRQFOVONFRRA-CYBMUJFWSA-N 329.827 4.085 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223207229 YFSZSOZIIBTLDY-QGZVFWFLSA-N 337.463 4.357 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccccc2OCC)cc1C 223258330 FUEKDAYMFOUNEJ-UHFFFAOYSA-N 341.451 4.155 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)cc2)c1 224495853 KVKSQRKIFGVIEX-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB Cc1ccc2oc(CCCC(=O)NC[C@@H](C)c3ccccc3)nc2c1 224949737 BQUPCLSNCCRGDE-MRXNPFEDSA-N 336.435 4.379 0 40 EIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1 225331343 UQRCJXWBNNKBMP-UHFFFAOYSA-N 326.198 4.382 0 40 EIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1C 225634365 AQLQMFSAOLWGCC-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB Cc1ccc(C)c(NC(=S)NC2(c3ccccn3)CCCC2)c1 225842171 ZNXYTTKZUIBBDX-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCOc1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225862470 BEBFZEGJYWSDAO-UHFFFAOYSA-N 330.453 4.434 0 40 EIAB CCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C 225904949 BJEMLHVJTNQDOA-LJQANCHMSA-N 336.476 4.349 0 40 EIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cccs3)c2)cs1 226097108 GJAPELPNWZGTHM-UHFFFAOYSA-N 345.449 4.174 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 226301633 CVCZAYSILQJSHN-VXGBXAGGSA-N 332.831 4.300 0 40 EIAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260755830 BUONUFUSWZBZFJ-XYPHTWIQSA-N 326.469 4.053 0 40 EIAB CC(C)(C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1)C(=N)O 331315587 JABSPAWSHDHBBV-NSHDSACASA-N 342.892 4.134 0 40 EIAB COC(=O)c1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)C(C)C)cc1 585145588 YRSUQBRKRHNZRV-LJQANCHMSA-N 339.435 4.491 0 40 EIAB C[C@@]12C[C@@H](NC(=O)N1Cc1ccccc1Cl)c1ccccc1O2 1615615771 WQCPPRXQPVWUPU-CRAIPNDOSA-N 328.799 4.105 0 40 EIAB Cc1cc(OCC(=O)Nc2nc3ccccc3s2)ccc1Cl 97679 XKFYVCAZLJEVET-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CN(C)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 113729 GZSQOZWCMBFEPP-VBKFSLOCSA-N 345.240 4.127 0 40 EIAB CN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(Cl)cc1 426421 LFSDOKFIKDCAFH-UHFFFAOYSA-N 349.825 4.105 0 40 EIAB COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c(OC)c1 818054 NESATCCBXNTDCE-OAQYLSRUSA-N 349.434 4.465 0 40 EIAB CCOCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 2420651 YZLPOFZWLVCDGD-UHFFFAOYSA-N 332.407 4.073 0 40 EIAB CC(C)(C)NC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 3069946 DLPHLVYGQXOFJX-UHFFFAOYSA-N 339.222 4.081 0 40 EIAB Cc1ccc(N(C(=O)NCc2ccccc2)C2=NC[C@H](C)S2)cc1 3103139 JEZNHODHUBBEKI-HNNXBMFYSA-N 339.464 4.203 0 40 EIAB CCN(C(=O)Cn1cnc2ccccc21)c1cccc2ccccc12 3252563 OKGDTRUHHWKMID-UHFFFAOYSA-N 329.403 4.243 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)C1(c2ccc(Cl)cc2)CC1 3349282 PYTVFPWJFXPXHT-UHFFFAOYSA-N 338.838 4.212 0 40 EIAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 3885038 FQUAQJOMDCUQHG-UKTHLTGXSA-N 345.354 4.149 0 40 EIAB Cc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1Cl 4062658 XEJFIQVGJLHPIY-UHFFFAOYSA-N 340.810 4.270 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@H]2O 4082577 QIOYEDVDPAWRGZ-OROIIQQLSA-N 332.484 4.053 0 40 EIAB biogenic Cc1csc(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 4938685 DSHVOXVIDDEFDX-SECBINFHSA-N 337.495 4.220 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 5474461 HTEHGMCDVRXIJU-UHFFFAOYSA-N 349.386 4.034 0 40 EIAB COc1cccc(CNC(=O)c2cccc(Oc3ccccc3)c2)c1 7007653 YYERWYWHHRBIFK-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB COc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1 7275557 RLAQOGBKCJDOJK-UHFFFAOYSA-N 328.437 4.028 0 40 EIAB NC(=O)Nc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 7344752 WRGYSBJHLMGKRV-UHFFFAOYSA-N 345.402 4.020 0 40 EIAB COc1ccc(CC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 7644187 CIVDGMCVRRQJTI-DHZHZOJOSA-N 344.414 4.442 0 40 EIAB COc1ccc(CCNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 8427699 FYPLLNVXHWWHIH-UHFFFAOYSA-N 349.430 4.247 0 40 EIAB CCOc1ccc2nc(C)c(CN3CCc4ccccc4C3)c(O)c2c1 8571802 KCIHVDFJHXXXHU-UHFFFAOYSA-N 348.446 4.206 0 40 EIAB C[C@H](SCc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 9882909 MJLVFKAEHAMAKD-LBPRGKRZSA-N 337.847 4.417 0 40 EIAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9987097 HPJNFIDSTWRNMP-VAWYXSNFSA-N 333.431 4.130 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(Br)c1 10541896 YQUACKGBZMDBOI-UHFFFAOYSA-N 346.224 4.051 0 40 EIAB Cc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1ccc(F)cc1 12806690 XNSNKIXQYLIQOC-SFHVURJKSA-N 326.415 4.218 0 40 EIAB O=C(Nc1ccccc1)c1cc(-c2ccco2)nn1-c1ccccc1 12904678 YFNXLUSMQWXOGN-UHFFFAOYSA-N 329.359 4.385 0 40 EIAB CCOc1cc2c(cc1NC(=O)CSc1ccccc1)O[C@H](C)C2 12972782 GPKWXPFVAHWBGN-CYBMUJFWSA-N 343.448 4.140 0 40 EIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(Cl)c3)c12 13006527 FWTDVSFTIQVYAD-UHFFFAOYSA-N 342.830 4.306 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 13796174 UYXLZMZEBBRLLY-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB Cc1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 15356090 DYFBIWRKCAWQFF-UHFFFAOYSA-N 327.380 4.406 0 40 EIAB O=C(NC1CC1)[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 15469041 ZWPDBRBOWQQOPY-NRFANRHFSA-N 349.478 4.109 0 40 EIAB COc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832465 TUCQPPBFHOIIMP-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB CCOc1cccc(CNc2cccc(OC[C@H]3CCCO3)c2)c1 19738606 NYOLMSDLCJIJOJ-HXUWFJFHSA-N 327.424 4.255 0 40 EIAB Cc1cccc2c1Sc1ccc(Cl)cc1C[C@@H]2N1CCNCC1 19802204 VLXDGXQTILRZDH-KRWDZBQOSA-N 344.911 4.302 0 40 EIAB O=C(CSc1ccccc1Cl)NCCSc1ccccc1 20031378 XXMJZCRSCVBIRQ-UHFFFAOYSA-N 337.897 4.341 0 40 EIAB CCc1cccc2c(C3=CCN(C(=O)NC4CCCC4)CC3)c[nH]c12 31044003 OKCHXLBXZUANBT-UHFFFAOYSA-N 337.467 4.472 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc4cn[nH]c34)s2)o1 31277074 MUJDPTRBZDWISF-UHFFFAOYSA-N 338.392 4.149 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccc(F)c(F)c1 32830254 PBTZAINHDMIUQG-SNVBAGLBSA-N 346.308 4.250 0 40 EIAB CCONC(=O)c1sc2cccc(F)c2c1COc1ccccc1 32893096 JJTROKCDPYVEGB-UHFFFAOYSA-N 345.395 4.301 0 40 EIAB CCOc1ccccc1CS[C@@H](C)C(=O)Nc1ccccc1F 32907796 JXOZJXDRRYCPCM-ZDUSSCGKSA-N 333.428 4.485 0 40 EIAB CC1=NN(c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2)CC1 32926105 AZNWEOYPAZEHMX-UHFFFAOYSA-N 341.842 4.198 0 40 EIAB CCONC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 44010524 NPCQJBPEDBSDQE-UHFFFAOYSA-N 349.415 4.193 0 40 EIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccccc2C)c1 44903267 DFXKGFKIDWBNFK-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccccn1 56520968 HVKNUIATBDXDSN-OAHLLOKOSA-N 335.329 4.469 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(-c2ccccc2)cc1 65492182 LSDPNSSMWOZORI-UHFFFAOYSA-N 346.386 4.404 0 40 EIAB Cc1csc(C(C)(C)NCc2nnc(-c3cccc(Cl)c3)o2)n1 72663050 RYKXOSYSNWRPJK-UHFFFAOYSA-N 348.859 4.180 0 40 EIAB Cc1cnc(CNC(=O)N(C2CC2)[C@@H](C)c2ccccc2F)s1 86424938 BLMSKNKXUSUJRF-LBPRGKRZSA-N 333.432 4.026 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)Nc1cccc2c1CCCC2 95373468 KPKXYLBELWGLHP-UHFFFAOYSA-N 334.379 4.259 0 40 EIAB CC(=O)N(Cc1ccc(NCc2c(F)cccc2F)cc1)C1CC1 95429191 UICVRALSXWYRLF-UHFFFAOYSA-N 330.378 4.088 0 40 EIAB CCS(=O)(=O)c1ccc([C@H](C)NC(C)(C)Cc2ccccc2)cc1 95462737 FQJGSGQCOHMUDB-INIZCTEOSA-N 345.508 4.152 0 40 EIAB CCOc1ccc(C2=N/C(=C\c3csc(C(C)C)n3)C(=O)O2)cc1 96133926 QSVGNDWNOFECNY-DHDCSXOGSA-N 342.420 4.010 0 40 EIAB Cc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1 96155835 HJVVRNLUELOXEN-UHFFFAOYSA-N 346.478 4.294 0 40 EIAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 102610996 IRILMNHERAXBJL-ZDUSSCGKSA-N 346.481 4.369 0 40 EIAB Cc1n[nH]c(C)c1C(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206881181 OQUNMHGRRWCRDK-OAHLLOKOSA-N 331.847 4.090 0 40 EIAB C[C@H]1CN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C[C@H](C)O1 216840222 JUYWDRRAZKNBRW-KBPBESRZSA-N 340.398 4.243 0 40 EIAB O=C(CCc1ccccc1F)NCCOc1ccc2ccccc2c1 223642644 KDSMLFZBGGOGAV-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc(OC)c(C)c1 223933780 HFOJJFQQZYUWQJ-RBUKOAKNSA-N 341.451 4.429 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 224994468 YGVAVMWTVMWJGK-UHFFFAOYSA-N 341.904 4.289 0 40 EIAB CCN(CC)CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225597132 MHWUXWOLSIKFKL-UHFFFAOYSA-N 332.488 4.316 0 40 EIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 225700088 UOKUVQVLCPIPAX-LJQANCHMSA-N 337.460 4.026 0 40 EIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC)c2ncccc12 225906147 ICIJPYVQWVGGTE-LJQANCHMSA-N 330.428 4.167 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCC1 226330407 KRRIFQJEMLOHSM-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB O=C(CCCc1ccncc1)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412858 UBASCEWOHZHVDS-UGESXGAOSA-N 334.463 4.103 0 40 EIAB Fc1ccccc1[C@H](F)C1CCN(c2ncnc3[nH]ccc23)CC1 557681789 DDXGRFQJWPGTBA-MRXNPFEDSA-N 328.366 4.024 0 40 EIAB CC(C)C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1cccc1 575444033 TZPFWTCUOSCOLC-INIZCTEOSA-N 340.452 4.233 0 40 EIAB CCCCC/C=C\[C@H](O)[C@@H]1O[C@H]1CCCCCCCC(=O)OC 606563371 PDGUXIIVPKODNL-UCHFAXAHSA-N 326.477 4.155 0 40 EIAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccccc3)C2=C1O 1547212372 ZOSMXMDQZUNEAJ-SFHVURJKSA-N 343.386 4.018 0 40 EIAB Cc1cc(O)cc(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 1586682314 MKDQJJXCRRDQHG-HNNXBMFYSA-N 340.206 4.070 0 40 EIAB Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1 87616 OLUNYPSDUKWJCL-UHFFFAOYSA-N 330.384 4.388 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1C 356732 UAOVCYVNLQVWMP-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB Cc1ccc(-n2nnnc2SCc2ccc(F)cc2Cl)cc1C 368349 ZCBZLQAKIOISGR-UHFFFAOYSA-N 348.834 4.364 0 40 EIAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 532476 NGCAJKYLIFVFND-HOTGVXAUSA-N 340.814 4.086 0 40 EIAB CC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 1003771 OLIYDIWGEFYGSP-UHFFFAOYSA-N 341.461 4.105 0 40 EIAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccco1 1414007 ZHHUXZBFVUOAFA-UHFFFAOYSA-N 334.331 4.349 0 40 EIAB Cc1ccc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)cc1C 2140732 OEVJYGHYYPHDAT-UHFFFAOYSA-N 341.480 4.011 0 40 EIAB CCOC(=O)c1cccc(C(=O)CCc2ccccc2SC)c1 2516603 OCYIFCMOAVBNGY-UHFFFAOYSA-N 328.433 4.401 0 40 EIAB COc1ccc([C@H]2N=C(c3ccccc3)N=C(c3ccccc3)N2)cc1 4031766 XQUOGOQYORWAMM-UHFFFAOYSA-N 341.414 4.191 0 40 EIAB CCOc1ccc(-c2cnc(NCc3cccc(F)c3)n2C)cc1 4678841 NFMFMPWPHNIQCF-UHFFFAOYSA-N 325.387 4.237 0 40 EIAB Cc1ccc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)c1 5343925 JZEBSDDPAKQCGZ-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB CCCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 5729265 JNKNECPEVMAFIZ-UHFFFAOYSA-N 339.844 4.320 0 40 EIAB Cn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccco1 5864127 LHPFRRCOJJWMLC-UHFFFAOYSA-N 338.392 4.022 0 40 EIAB CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 5890193 HDLHDCKKYHHJCE-UHFFFAOYSA-N 325.437 4.185 0 40 EIAB CCC[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 5979105 GUTWDLAOMIKMDS-LBPRGKRZSA-N 348.512 4.271 0 40 EIAB COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6061820 FVRBMJQDBJEXCH-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 6189706 COOMRBPEWMYSTC-UHFFFAOYSA-N 341.798 4.188 0 40 EIAB O=C(Nc1nc(-c2ccncc2)cs1)c1c(F)cccc1Cl 6579658 NWBYYAXJHQJWHO-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1nc2ccccc2[nH]1 6609109 LZDMKELKKGYWKZ-SOFGYWHQSA-N 346.217 4.199 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1Cl)S[C@H](C)C(=O)N2 6679366 CAYCNNAUTLTMPL-JMCQJSRRSA-N 342.251 4.188 0 40 EIAB O=C(C1CCCCC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6941828 GQCPRTGWNYZNKF-OAHLLOKOSA-N 344.480 4.389 0 40 EIAB Cc1ccc(OCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 7062290 COOMDVMLPURBTM-UHFFFAOYSA-N 330.384 4.151 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1F 7116774 KNSIPQFBMABNRI-UHFFFAOYSA-N 334.803 4.361 0 40 EIAB CCCCc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 7842609 ZJRIPKRLAVFIKJ-HXUWFJFHSA-N 338.451 4.235 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC(F)F)cc1 7886453 IPDSBOZYZYUOOS-INIZCTEOSA-N 332.350 4.265 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccccn3)ccc2c1 8025293 KBJNKRHRVKXZKK-HUUCEWRRSA-N 334.419 4.224 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)N1c2ccccc2C[C@@H]1C 8189380 LWDQCHJUZSWSSA-KBPBESRZSA-N 349.459 4.088 0 40 EIAB Cc1csc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)n1 8706421 GQCFWTSSKFYLTA-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB COc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@H]3C)cs2)cc1 8876370 NBPSCNCEZRKNLS-DYVFJYSZSA-N 344.480 4.056 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCC(C)C)cc2s1 9047192 ICISPABSKZGGIR-UHFFFAOYSA-N 327.453 4.090 0 40 EIAB Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063369 FZKOIDHEFZAAHH-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB CC(=O)Nc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1 9112778 URUIMZYNNRKUMM-UHFFFAOYSA-N 344.414 4.493 0 40 EIAB Cc1cnc(NC(=O)c2cccc(OCc3csc(C)n3)c2)s1 9314221 QJZASTJBJSBSOZ-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 9587107 OAFMFRSGGQGPNL-GFCCVEGCSA-N 339.416 4.303 0 40 EIAB Cc1csc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)n1 9690635 PQWXWBUKHQDFNU-GXTWGEPZSA-N 334.510 4.070 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1occc1COc1ccccc1 11372954 UTGIXMGVPGUEIN-UHFFFAOYSA-N 329.302 4.389 0 40 EIAB Cc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 12532401 YVAKLMGGNYUMSH-ZDUSSCGKSA-N 343.377 4.273 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccccc2)c1 13710344 ZEUQJOWHRGWYIN-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CC(C)CCC[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 14245806 BWSFCSVGMAUWDZ-CQSZACIVSA-N 331.485 4.079 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 14401808 RLVIRPBIBNPMLI-ZDUSSCGKSA-N 341.904 4.289 0 40 EIAB COc1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1 15669866 LYARMAVUJLTYAR-UHFFFAOYSA-N 333.391 4.329 0 40 EIAB Fc1cc2c(c(CN3CCCCC3)c1)O[C@@H](c1ccccc1)OC2 16699008 BICCBKXFTNQVHV-FQEVSTJZSA-N 327.399 4.419 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1F 19506986 DDOZTLKWCLEZEI-SNVBAGLBSA-N 334.188 4.180 0 40 EIAB CC(C)c1nnc(SCc2nnc(-c3ccccc3Cl)o2)o1 20034616 OCLRYKLQOJIUDF-UHFFFAOYSA-N 336.804 4.189 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)CCc1ccccc1 20462422 RAMCTFGHNJZZOK-KXBFYZLASA-N 329.415 4.121 0 40 EIAB Cc1ccc(-c2csc(NC(=O)CCc3cccnc3)n2)cc1C 22065586 HENSCCQBDDCQJX-UHFFFAOYSA-N 337.448 4.393 0 40 EIAB CCOc1ccccc1[C@H](Nc1cccc(Cl)c1)P(=O)(O)O 24769624 SUSIDICMJPCVMH-OAHLLOKOSA-N 341.731 4.027 0 40 EIAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCc2ccccc2C1 27269660 KYAQGKFLCJAHJG-JOCHJYFZSA-N 342.442 4.425 0 40 EIAB C[C@H]1CCCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)C1 28226919 ISWJIORLRCNOSS-HNNXBMFYSA-N 339.435 4.219 0 40 EIAB CC(=O)Nc1cccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 32848535 XWZOZNLUMUMKJD-ZDUSSCGKSA-N 340.448 4.176 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(Cl)cc2)[C@H](c2ccc(O)cc2)C1 36358461 HRXOCJJGOOOQCA-HNNXBMFYSA-N 339.782 4.355 0 40 EIAB CSc1nc2ccc(NC(=O)NCc3cccs3)cc2s1 38671354 AMQXQWOUVVNTPK-UHFFFAOYSA-N 335.479 4.401 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38849536 RFSOKXLTFBBVBH-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB COc1ccc(-c2nc(COC(=O)c3cc4ccccc4[nH]3)co2)cc1 42683555 NXBYIGASZRZWIB-UHFFFAOYSA-N 348.358 4.189 0 40 EIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc2ccccc2o1 45773426 CVNFOQKSCFRVSO-UHFFFAOYSA-N 349.308 4.304 0 40 EIAB Cc1cc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)c(C)s1 48312678 OWBRHYMHQGGVRX-INIZCTEOSA-N 335.494 4.063 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 55866946 ACQAYBCWXNUCDM-UHFFFAOYSA-N 335.407 4.180 0 40 EIAB O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(-c2ccco2)on1 58208610 HPKKRCCILCWLJV-UHFFFAOYSA-N 347.302 4.075 0 40 EIAB COc1ccccc1CCC(=O)N1CCCC[C@@H]1Cc1ccccc1 58209164 PEXPZDWGSNHMSN-HXUWFJFHSA-N 337.463 4.252 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 58315076 LNCVNOYUOCMNQE-UHFFFAOYSA-N 340.467 4.495 0 40 EIAB O=C1S/C(=C/c2cc(Cl)ccc2O)C(=O)N1c1ccccc1 59502984 HCMCINGGFJCASD-NTEUORMPSA-N 331.780 4.287 0 40 EIAB CN1CCCc2cc(NC(=O)c3cnc(C(C)(C)C)s3)ccc21 64843618 MISOYTZBUIWYLA-UHFFFAOYSA-N 329.469 4.075 0 40 EIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2s1 65593196 VYOBOOWCSCHZDG-UONOGXRCSA-N 338.432 4.071 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 65623646 UVRCHJLMLBDUGI-QZTJIDSGSA-N 326.827 4.030 0 40 EIAB O=C(Cc1cccc(Cl)c1)NCCSCc1ccccc1F 72094025 XAIAGDAUBFYGJH-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB Cc1ccc([C@H](O)CN[C@H](C)c2ccc(Br)cc2)cc1 76082232 GTKSAFUNXMBERJ-CXAGYDPISA-N 334.257 4.142 0 40 EIAB O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 83991828 FEJIBIUWVHWYOD-SFHVURJKSA-N 336.391 4.047 0 40 EIAB Cc1ccc(C(=O)c2ccccc2CN2CCSCC2)c(C)c1 85651661 XMAFKWUZNHDPLQ-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB CC(=O)Nc1ccc(NCc2noc(-c3ccsc3)n2)c(Cl)c1 86205610 GEUICQQFPYJBBU-UHFFFAOYSA-N 348.815 4.022 0 40 EIAB Cc1nc(CN(C)[C@H](C)c2sc(-c3ccccc3)nc2C)no1 89562797 WEGNHPRHNSTNQD-GFCCVEGCSA-N 328.441 4.003 0 40 EIAB C/C=C/CS(=O)(=O)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 95418377 KFOTZRUDIJYVLX-ZYOFXKKJSA-N 339.844 4.355 0 40 EIAB CCC(CC)[C@H]1C[C@H](NC(=O)c2ccccc2OC(F)F)CCO1 95465854 IQCOPHOTZXREMT-CZUORRHYSA-N 341.398 4.002 0 40 EIAB O=c1c(CNc2ccc(Cc3ccncc3)cc2)coc2ccccc12 96137248 DHGJBLJISVFCDQ-UHFFFAOYSA-N 342.398 4.391 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)NCc1csc(C(C)(C)C)n1 96415397 QDNJZKQPCZLHJW-HNNXBMFYSA-N 346.500 4.128 0 40 EIAB Clc1ccc(-c2nc(CN3CCC(c4cn[nH]c4)CC3)co2)cc1 97202936 OKKYZFRPMUYJHS-UHFFFAOYSA-N 342.830 4.098 0 40 EIAB O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100922534 XCRBMTDUYFRNSW-OMRXRXQOSA-N 333.453 4.228 0 40 EIAB CCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)ccc(OC)c21 101061488 DKYMWPPOWUKOQP-VXPUYCOJSA-N 346.496 4.437 0 40 EIAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCC2 102182048 FSIXZPXLTWNCOO-BZPMIXESSA-N 347.480 4.178 0 40 EIAB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 102605295 UCKUUTXBBIIZEL-LIRRHRJNSA-N 346.390 4.245 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223933723 HFOJJFQQZYUWQJ-RTBURBONSA-N 341.451 4.429 0 40 EIAB Cc1ccccc1[C@@H](NC(=S)Nc1ccncc1)c1ccccc1 225507877 KTKAMCVZBWKTIV-IBGZPJMESA-N 333.460 4.466 0 40 EIAB CCN(CC)C(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225832490 CDYQZTXLVUUQBV-UHFFFAOYSA-N 349.434 4.205 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C)n1 225901693 KPGFAHHGRHVDFI-UHFFFAOYSA-N 348.487 4.493 0 40 EIAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)cc(C)c3)C2=O)cc1 121626 OACOUEHJVBRLCJ-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1cccc(Cl)c1 227470 ZIBNVGXCZYAFJE-UHFFFAOYSA-N 335.812 4.231 0 40 EIAB CCOC(=O)[C@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 492805 LASBQQRIPFOWKP-MRXNPFEDSA-N 347.455 4.043 0 40 EIAB biogenic CC(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 493255 JPRDCYWQVXZQSV-UHFFFAOYSA-N 344.414 4.416 0 40 EIAB COc1cccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)c1 530893 XAXHSECGAJTDKN-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Cc1cc(-c2noc(COc3ccc(F)cc3)n2)c2ccccc2n1 1423709 SBSLPTAHQLPPNE-UHFFFAOYSA-N 335.338 4.311 0 40 EIAB CCn1c(SC(=O)NC2CCCCC2)nnc1-c1cccs1 2657923 WOGULGPHXFTJTL-UHFFFAOYSA-N 336.486 4.161 0 40 EIAB Cc1cc(NC(=O)C2(c3ccccc3)CC2)ccc1Br 3431084 BZAZXUVYKHUJBB-UHFFFAOYSA-N 330.225 4.428 0 40 EIAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 3443098 PAGNKIUEAMVOAA-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 3598059 FBZFUIKPJBQZRF-UHFFFAOYSA-N 347.370 4.138 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 3606556 XVYYEDTWUAMDBA-ACJLOTCBSA-N 329.827 4.301 0 40 EIAB Cc1ccc2c(c1)s/c(=N/C(=O)Cc1cccc3ccccc13)n2C 4135063 YGUJUEXPSGXZEX-QURGRASLSA-N 346.455 4.371 0 40 EIAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccc(C)c(C)c1 4163806 VHSUZLAKWXVSQA-UHFFFAOYSA-N 334.419 4.329 0 40 EIAB COc1ccc(CCNC(=O)c2ccccc2Oc2ccccc2)cc1 5673765 JZFMFQNMEZWFCN-UHFFFAOYSA-N 347.414 4.460 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)o1 5958813 BDUIPDWOGAOJIR-UHFFFAOYSA-N 348.402 4.113 0 40 EIAB Cc1ccc(-c2csc3ncn(C[C@@H]4CCCCO4)c(=O)c23)cc1 8734883 QGVRAWGDGQEPRV-HNNXBMFYSA-N 340.448 4.003 0 40 EIAB O=C(Nc1ccnn1Cc1ccccc1)c1cc2ccccc2s1 9451311 CTSOPQHWCJHNIS-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB O=C(CCc1ccccc1O)N[C@H]1CCSc2ccc(Cl)cc21 9501347 KCBWADDLEXCGMN-HNNXBMFYSA-N 347.867 4.332 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 10329710 VJYNUBHXYZKNOT-LJQANCHMSA-N 342.458 4.156 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Cl 10337964 GWIZNBNIVKCVAH-UHFFFAOYSA-N 344.842 4.197 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 11560871 UCJWMPNRGPRXTL-KRWDZBQOSA-N 346.430 4.387 0 40 EIAB COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2ccccc12 11847401 JFDZBCCOHRVODF-UHFFFAOYSA-N 345.354 4.207 0 40 EIAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12529433 LXCXATQYEXTQQA-CQSZACIVSA-N 339.464 4.032 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C 12943521 BRKOHWJCEORYSN-SFHVURJKSA-N 337.419 4.052 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 13001703 PTAKVKQEDXHRIG-LLVKDONJSA-N 346.452 4.431 0 40 EIAB Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)c1 13036282 QNFOBAHMJAUJLQ-TZIWHRDSSA-N 343.386 4.030 0 40 EIAB Cc1ccc(C)c2[nH]c(=O)c(CNCc3ccccc3Cl)cc12 13998564 DIKJLZKDRGGXBA-UHFFFAOYSA-N 326.827 4.088 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 16599303 JWCUHSJXTXDQDA-MRXNPFEDSA-N 337.250 4.026 0 40 EIAB CC(=O)c1c(C)oc2c(C)cc(NS(=O)(=O)c3ccccc3)cc12 16779580 IRPRCAZHMIGCDO-UHFFFAOYSA-N 343.404 4.053 0 40 EIAB COc1ccc2cc([C@H]3SCC(=O)N3Cc3ccco3)ccc2c1 19926974 ACMPFVSOLXSSAN-LJQANCHMSA-N 339.416 4.216 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(F)cc1 20457624 GUNJXRYQJTXAPP-HXUWFJFHSA-N 343.442 4.349 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1Cl 22603470 FUKXMHMSDHJOEU-HUUCEWRRSA-N 346.789 4.180 0 40 EIAB C[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 23445342 YUXSBVKVGPQWHN-MRXNPFEDSA-N 335.447 4.058 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2Cl)[nH]n1 24964189 PVRMOXNRARLRJG-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB COc1ccc2nc(C)c(C(=O)N[C@H](c3ccccc3)C3CC3)cc2c1 25880257 MTPSIPTYQSSATL-OAQYLSRUSA-N 346.430 4.433 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 30872074 RDHJKHUCFQPPRS-HOTGVXAUSA-N 327.424 4.038 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)c1 36620532 GEUBZADPCWFDSM-SFHVURJKSA-N 329.465 4.138 0 40 EIAB CN(C)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cn1 48333350 LERLDEUHSRSBFN-LJQANCHMSA-N 338.455 4.201 0 40 EIAB Cc1cccc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)n1 48783993 CVCWOYXZCOSAMR-UHFFFAOYSA-N 340.858 4.136 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(C)c2)cc1 51354313 WZUQZOYKYOCENP-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB O=c1cc(-c2ccccc2)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1 57732442 XWEZDAJKJVSEBT-UHFFFAOYSA-N 346.434 4.171 0 40 EIAB COc1c(CN[C@H](c2ccc(C)cc2)C2CC2)c(C(C)C)nn1C 58392156 VUFOXHIOKNKNRI-LJQANCHMSA-N 327.472 4.101 0 40 EIAB Cc1nccn1[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 69810219 WCXGNPZTNSZCBW-GOSISDBHSA-N 345.874 4.031 0 40 EIAB COc1ccc(CCCC(=O)N2CCCC[C@H]2c2nccs2)cc1 72285874 BIYRCWSGIFDKAF-KRWDZBQOSA-N 344.480 4.228 0 40 EIAB Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)cc1C 72329816 FQHILJJQHKECIY-UHFFFAOYSA-N 349.814 4.477 0 40 EIAB Cc1nn([C@H](C)CC(=O)Oc2ccc(Cl)cc2)c(C)c1Cl 75146148 UEKVTCWBSNSRCQ-SECBINFHSA-N 327.211 4.363 0 40 EIAB O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@@H]1c1ccccn1 84609868 MQVAWDFDZMMCSH-CYBMUJFWSA-N 337.206 4.071 0 40 EIAB CCN(C[C@@H]1CCCO1)c1ncnc2scc(-c3ccccc3)c12 84774560 WIMQCDORRKWCGN-HNNXBMFYSA-N 339.464 4.364 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(c1ccccc1)C1CCCC1 95953763 FDYQZYKCWSKQDG-AWEZNQCLSA-N 325.456 4.116 0 40 EIAB CN(C)c1ccc(N2CCC(Nc3ccc(F)cc3F)CC2)cc1 96006909 HPGHNTLEIUCKJS-UHFFFAOYSA-N 331.410 4.112 0 40 EIAB CO[C@@H](CNC(=O)CCSc1ccccc1)c1ccc(C)s1 96104707 HAQUOVQQEAMGKT-HNNXBMFYSA-N 335.494 4.043 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)OC2=O 100260756 ZGDIQHPWMXXVQA-HOTGVXAUSA-N 342.222 4.054 0 40 EIAB CC(C)(C)C(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1 114184043 KJBWLGPTOKGJSJ-IBGZPJMESA-N 335.447 4.460 0 40 EIAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222609570 QCVMBXZKBLUHAY-KKXDTOCCSA-N 340.496 4.109 0 40 EIAB COc1ccc(CN(C)C(=O)COc2ccccc2C(C)(C)C)cc1 222795759 WVLYLXNQAJLHJQ-UHFFFAOYSA-N 341.451 4.030 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)COc1cccc2c1CCCC2 225109943 AITKWBSGTCDAOV-UHFFFAOYSA-N 343.854 4.256 0 40 EIAB CCn1c(=O)sc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 225120617 NFXYHKUURXFRCT-UHFFFAOYSA-N 347.827 4.380 0 40 EIAB CC[C@H](NC(=S)Nc1ccccc1F)c1ccc(OC)c(OC)c1 225718618 QOUHMQKRTURRQY-AWEZNQCLSA-N 348.443 4.281 0 40 EIAB COc1cccnc1NC(=S)N[C@@H](c1ccccc1C)C(C)C 225762755 KVHOPJXELALSGK-MRXNPFEDSA-N 329.469 4.082 0 40 EIAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCC)c2cccnc12 225893511 CLZAFBNJKPFHQP-IBGZPJMESA-N 330.428 4.167 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)CCC[C@H]12)OCCO3 257345989 OBDZFYATKFZBLA-JHQBWLJPSA-N 334.500 4.133 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)c1ccccc1C(F)(F)F 575618855 QDGDZUGJQQXWCI-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB C/C=C/COc1ccc(CC[C@H](C)NC[C@]2(O)CCC[C@@H]2C)cc1 1659882346 PWISFODCKMODBA-KJGRZWKTSA-N 331.500 4.103 0 40 EIAB COc1ccc(CCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1 384559 VKIBZGSVSXTBFY-UHFFFAOYSA-N 348.398 4.207 0 40 EIAB COc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn23)c1 523953 WHSUCSAHKLPOKA-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB COc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1OC 818050 UILJXDUYHZSOEU-OAQYLSRUSA-N 349.434 4.465 0 40 EIAB S=c1[nH]c(S)nc2sc3c(c12)CCN(Cc1ccccc1)C3 1297187 AOLGHRSRAYSTQE-UHFFFAOYSA-N 345.518 4.201 0 40 EIAB CCCN(C(=O)c1ccco1)c1nnc(-c2ccccc2C)s1 1345309 BKEPCYMTUMANSV-UHFFFAOYSA-N 327.409 4.163 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2C)c(Cl)n1 1382133 KXPFNZUROOTRMX-UHFFFAOYSA-N 330.236 4.146 0 40 EIAB CC1=C[C@@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@@H]1[C@@H]2C 2109422 ABFSDSQOZYJGJO-YCWKWXDGSA-N 347.455 4.320 0 40 EIAB O=C(c1cccc(Cl)c1)c1cccc(CN2CCSCC2)c1 2515284 WZUMCTAXNHBIPJ-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3s2)c1C 2725930 DAEYMKFJQIQIFA-UHFFFAOYSA-N 344.461 4.419 0 40 EIAB CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1OCC 4387908 CVPNYVYWCJFTQZ-UHFFFAOYSA-N 338.403 4.490 0 40 EIAB C/C(=C\c1ccccc1)[C@@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 4543379 IIGCSMMYJZAWAD-MDJRLISTSA-N 338.476 4.458 0 40 EIAB CCOC(=O)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 4776376 KDVDFTWAIFPBSA-HNNXBMFYSA-N 340.404 4.133 0 40 EIAB COC(=O)c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1 5660594 XSZWENWYUOBAJJ-UHFFFAOYSA-N 331.371 4.452 0 40 EIAB CCOC(=O)[C@@]1(C)C(=O)C[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 5707124 DFOTVZLOJCXIMY-NNMXDRDESA-N 336.431 4.486 0 40 EIAB Cc1nc(NC[C@@H](c2ccccc2)N(C)C)c2c(C)c(C)sc2n1 6598423 UYCURXFNUKLQAE-INIZCTEOSA-N 340.496 4.331 0 40 EIAB c1ccc(CC2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 6669663 FFZPXCRTIQMJEO-UHFFFAOYSA-N 333.435 4.191 0 40 EIAB C[C@@H]1CCCCN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7285543 QRYXPSYULRPVIF-CYBMUJFWSA-N 339.464 4.026 0 40 EIAB Cc1ccc(NC(=S)NCC2(N(C)C)CCCCC2)cc1Cl 7662528 UVVGWSFHEZWRFV-UHFFFAOYSA-N 339.936 4.199 0 40 EIAB O=C(/C=C/c1nc2ccccc2s1)NCCc1ccc(Cl)cc1 7983286 IDDIUUKBZKUWRW-MDZDMXLPSA-N 342.851 4.322 0 40 EIAB COc1ccc([C@H](NC(=O)CCc2ccco2)c2ccccc2)cc1 8075698 PUKMQOMRCIQIHL-OAQYLSRUSA-N 335.403 4.127 0 40 EIAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1F 8752903 JEJJWUYROWDCID-UHFFFAOYSA-N 340.398 4.350 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(-n2cccc2)c1 8780056 JGYWYYJQBSWXHU-UHFFFAOYSA-N 347.443 4.359 0 40 EIAB O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254568 YGNPNIKERICECU-UHFFFAOYSA-N 332.787 4.186 0 40 EIAB CCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 11916676 LEWNUENHWDUOMU-LBPRGKRZSA-N 330.453 4.309 0 40 EIAB CCCC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 12419222 IKVADSWUSPBDMB-UHFFFAOYSA-N 342.283 4.144 0 40 EIAB Cc1ccc([C@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 12972690 DVWQMAUARDAUGQ-KRWDZBQOSA-N 335.436 4.004 0 40 EIAB O=C(Nc1nccs1)c1c(-n2cccc2)sc2c1CCSC2 14190678 CPCPGGNZDJRDAU-UHFFFAOYSA-N 347.490 4.037 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2cc(Cl)ccc2C)c(F)c1F 14258247 ICQMHZWGLPOFBQ-UHFFFAOYSA-N 347.695 4.466 0 40 EIAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(C)cc1C 15860739 UWPOZCOGASUXSU-KRWDZBQOSA-N 338.451 4.046 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)c1 20037680 WXXLGTCRSJYWCG-KRWDZBQOSA-N 343.442 4.267 0 40 EIAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 20452293 YIYHJYQPFHKWFK-HXUWFJFHSA-N 337.444 4.063 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1 20452437 FSZNSLQDCUQITK-QGZVFWFLSA-N 328.500 4.181 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 20457310 BTWBBVNTSZWMAU-NSHDSACASA-N 339.313 4.120 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 21577055 PMNOQCIEMVLRNQ-UHFFFAOYSA-N 342.414 4.385 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccccc1F 21926138 MNGAQNYUVLBSLC-UHFFFAOYSA-N 333.406 4.394 0 40 EIAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccs1 23785885 TXHZUKLLMTYOHK-JTQLQIEISA-N 337.828 4.054 0 40 EIAB COc1cc(OC)c(NC(=O)C2(c3ccccc3)CCC2)cc1Cl 25319277 OAWKQZPFPHRQFJ-UHFFFAOYSA-N 345.826 4.418 0 40 EIAB CCCn1c(C)cc(C(=O)CSc2ncnc3ccsc23)c1C 26957759 ULFDORFPXALWMQ-UHFFFAOYSA-N 345.493 4.495 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1OCc1ccncc1 32062822 YTZVOTPPVIXDFX-UHFFFAOYSA-N 340.329 4.191 0 40 EIAB Cc1sc2nc(Cl)n3nc(Cc4ccccc4)nc3c2c1C 32093020 HMRFFRGVSNHIOA-UHFFFAOYSA-N 328.828 4.200 0 40 EIAB O=c1c2ccccc2cnn1Cc1sc2ccccc2c1Cl 32758520 VBHJCNKQBOCNMD-UHFFFAOYSA-N 326.808 4.313 0 40 EIAB COc1ccccc1Nc1c(-c2cccc(O)c2)nc2ccccn12 35616088 VOASHIQSDXNJPG-UHFFFAOYSA-N 331.375 4.459 0 40 EIAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)N1CCCC1 36182079 GNDSHHKVFBCZLQ-UHFFFAOYSA-N 349.459 4.037 0 40 EIAB COc1cccc2c1N(C(=O)c1cc3c(s1)CC[C@@H](C)C3)CCC2 36754931 RATANIOLFNYHAO-CYBMUJFWSA-N 341.476 4.475 0 40 EIAB CC(C)OCc1ccc(CNC(=O)C[C@H](C)c2ccccc2)cc1 40122261 QBUUZXMKZVUMDS-KRWDZBQOSA-N 325.452 4.422 0 40 EIAB CCCc1cc(Br)ccc1OCCC1CCNCC1 42770276 PUULOEXKAMTRPB-UHFFFAOYSA-N 326.278 4.170 0 40 EIAB O=C(c1ccc(SC(F)F)cc1)N(Cc1ccccn1)C1CC1 55082939 UBSJRAVGRBWXND-UHFFFAOYSA-N 334.391 4.201 0 40 EIAB CCc1ccccc1NC(=O)NCCc1coc(-c2ccccc2)n1 58305191 HWJUYIJQMWOSHM-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB C[C@H](NC(=O)c1c2c(nc3ccccc13)CCC2)c1cccc(F)c1 58344224 AJUMODWHQLAAKE-ZDUSSCGKSA-N 334.394 4.354 0 40 EIAB Cc1cc(N2CCc3ccccc3C2)ncc1C(=O)c1ccccc1 72223888 TYLKNKBNYUKFEQ-UHFFFAOYSA-N 328.415 4.184 0 40 EIAB CCc1noc(CC)c1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 87060775 ZFZSXQWVSSUZOO-ZDUSSCGKSA-N 340.423 4.308 0 40 EIAB Cc1c(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cnn1C 89544630 JOYZKJWKABHGMJ-UHFFFAOYSA-N 343.333 4.051 0 40 EIAB C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccs1 95420530 QLOKXHINIFGVIY-CQSZACIVSA-N 340.448 4.122 0 40 EIAB CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCSc2ccc(Cl)cc21 95423698 CLJPYLSYYQAALQ-KBPBESRZSA-N 348.903 4.156 0 40 EIAB Cc1noc(C)c1CSCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 96441246 SMEIMSWNNQRPLP-BLLLJJGKSA-N 348.468 4.117 0 40 EIAB COc1cc([C@@H](C)NCC2CCN(C)CC2)ccc1SC(F)F 96477139 NMBQORSKCCAKOU-GFCCVEGCSA-N 344.471 4.002 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 102318619 PYUUMDIVRVIEDZ-VOAKCMCISA-N 339.888 4.305 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1 107493426 XNAKAHJORJMFIG-SFHLNBCPSA-N 328.415 4.091 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(Cl)c1 191569737 OAHVXGBGQHEUBG-UHFFFAOYSA-N 344.842 4.429 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)c(Cl)c1 216374747 VCCJIDRJOBDHBF-UHFFFAOYSA-N 334.828 4.326 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCS[C@H](c2cccs2)CC1 219480125 GZGFLNMMMIIRTE-HNNXBMFYSA-N 339.432 4.347 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C 223086910 NFFYRNICHXSFJF-UHFFFAOYSA-N 338.451 4.015 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)NCCCc1ccco1 223305091 KYBQLYIHHXSYPP-UHFFFAOYSA-N 341.835 4.054 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(F)cc1)CC(C)(C)O2 223351203 WUQGTFRNRJCITA-GOSISDBHSA-N 341.426 4.485 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1C 224257177 UZDFCFGUOYMZFW-MOPGFXCFSA-N 348.475 4.204 0 40 EIAB CCCOCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 224416371 OSJXASIVNYJPNB-UHFFFAOYSA-N 341.407 4.077 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924054 KYEYDQXHAHFADU-HXUWFJFHSA-N 338.451 4.391 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225360632 PFOUJHDCYSFYEC-UHFFFAOYSA-N 341.407 4.053 0 40 EIAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccs1 408561183 HABRHIOSJQPJSB-ZPHPHTNESA-N 346.452 4.487 0 40 EIAB CC[C@H](C(=O)NCc1nccnc1-c1ccsc1)c1ccccc1 575619663 OIPNVZFEBAKSTO-INIZCTEOSA-N 337.448 4.015 0 40 EIAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1cccnc1 71935 PCNYOHVLCHQBRK-UHFFFAOYSA-N 335.407 4.035 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 290105 FWBMUPNXHQHQMN-WBVHZDCISA-N 336.435 4.192 0 40 EIAB Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C 2919578 QGPVMDYIYHVIOF-DLBZAZTESA-N 339.830 4.090 0 40 EIAB Cc1c(C(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C 4062508 RVCJYDXUZIEUKO-UKRRQHHQSA-N 340.467 4.000 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c(C)c1 4479452 YFEJPPPIDAPFDT-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1 4649101 YCKZRANCPMENFE-UHFFFAOYSA-N 326.396 4.076 0 40 EIAB C/C=C/C[S@@](=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 4976445 YUUPBNNTIAJGDG-SHTLVRLNSA-N 333.478 4.121 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2[C@H](C)CC)cc1 5652716 UGAMTMKRSAEPCS-CQSZACIVSA-N 333.453 4.400 0 40 EIAB Fc1cccc(-n2nnnc2SCc2cccc3ccccc23)c1 5795815 PPIAOMUNUNNKNK-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB Cc1ccc(-c2nc(CNC(=O)c3cccc4ccccc34)no2)cc1 6234054 TUVUPXLAGUAPSJ-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB O=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 6747501 IFOHFMYBCHRKLC-UHFFFAOYSA-N 327.330 4.400 0 40 EIAB COc1ccc(-n2cc(-c3ccccc3)c3c(N(C)C)ncnc32)cc1 6871450 SYBCVTUZWXRUTP-UHFFFAOYSA-N 344.418 4.162 0 40 EIAB O=C1CCCN1CCCNc1cc(-c2ccccc2)c2ccccc2n1 7015216 HBYNALUOZOXVFK-UHFFFAOYSA-N 345.446 4.326 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1Cc1ccco1 7113025 RZCGDOUYZKDAKT-SFHVURJKSA-N 340.329 4.325 0 40 EIAB Cc1sc2nc(CN3CCCC3)nc(N3CCC(C)CC3)c2c1C 8128261 IMQOZEXYKBZCJZ-UHFFFAOYSA-N 344.528 4.140 0 40 EIAB Cc1ccn2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)nc2c1 8156294 AXJGRDWWWRHTMP-UHFFFAOYSA-N 348.450 4.275 0 40 EIAB Cc1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)no1 8945916 IGSQAWGXJUBANT-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB CC(C)Oc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10874370 YMKAMYUUPGYSIC-UHFFFAOYSA-N 342.420 4.120 0 40 EIAB CC(C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11154277 XQSZJRWJQWQNIH-LJQANCHMSA-N 326.415 4.381 0 40 EIAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NC(C)C 12407943 NTKAGNHGQDBHIR-UHFFFAOYSA-N 344.358 4.155 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 12775449 DYDCRGKWSZNHLT-TUQDCPSNSA-N 331.419 4.105 0 40 EIAB COc1ccc(C)cc1-n1c(SC(C)C)nc2ccccc2c1=O 12782647 IDULNROKNFKJDD-UHFFFAOYSA-N 340.448 4.203 0 40 EIAB COc1ccc(-c2csc(NC(=O)CC(C)(C)C)n2)c(OC)c1 12814455 PXQZCRRWROKYJC-UHFFFAOYSA-N 334.441 4.202 0 40 EIAB Cc1cc(C)cc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 12927505 IAUGXWMWNNKFKJ-UHFFFAOYSA-N 327.472 4.344 0 40 EIAB O=C(NCCCN1CCCCC1)c1cc2c(ccc3ccccc32)o1 13646402 TXMFLQDFTXRZJR-UHFFFAOYSA-N 336.435 4.192 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 13646528 IIZDYNLNQCUBQD-CQSZACIVSA-N 343.448 4.291 0 40 EIAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 17289197 IFHGGYDTYPNLCZ-FZKQIMNGSA-N 328.843 4.011 0 40 EIAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 17959567 OWTIXFCBVBSRGZ-CYBMUJFWSA-N 325.799 4.017 0 40 EIAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CCSc2c(F)cccc21 18177593 HOBTYAZKUZABAS-CYBMUJFWSA-N 338.354 4.463 0 40 EIAB CN1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19588876 YPHCYKYMOIWUBO-LJQANCHMSA-N 345.450 4.439 0 40 EIAB O=C(Oc1ccc2c(Cc3ccccc3F)noc2c1)c1ccco1 20739519 RWLHDPZYMVEIRT-UHFFFAOYSA-N 337.306 4.370 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 22088110 YMTSMCQGHDLKRO-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 22250788 UTOMJWNXNNQZAO-UHFFFAOYSA-N 349.814 4.317 0 40 EIAB CC1(C)CC(Nc2ncc(C(F)(F)F)cc2Cl)CC(C)(C)N1 22357221 LIEWXPLTMHDGTF-UHFFFAOYSA-N 335.801 4.475 0 40 EIAB Cc1cccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 22968031 GDPNFQIRGJHNSM-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1 28886412 XUGSPERSQBCGJK-UHFFFAOYSA-N 341.363 4.043 0 40 EIAB Cc1nc(NC(=O)c2n[nH]c3ccccc23)sc1-c1ccccc1 29922333 JZAFJYRSHPRGMH-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB Cc1cccc(Cn2nccc2NC(=O)c2ccc(OC(C)C)cc2)c1 30527961 WIMGVXAETPNWPU-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 32754137 DHYDKFSOLCNUPD-GOSISDBHSA-N 337.419 4.020 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 33297989 ICTGRCZYSQJGOC-ZFWWWQNUSA-N 339.464 4.396 0 40 EIAB O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 36387487 GYXYSDLSMHXYGV-BRSBDYLESA-N 341.838 4.356 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1OC 38754430 OEUOJWQTDYEKOR-CQSZACIVSA-N 345.464 4.440 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1 40286835 JFDCWJPOPLGAEP-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB C[C@]1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1(Cl)Cl 45621330 UMSZDAMDNSEMDE-SNVBAGLBSA-N 328.026 4.098 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)c1ccccc1Br 45888786 LGZUYDHABLXMGI-UHFFFAOYSA-N 333.229 4.154 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)NCCSC1CCCC1 46450727 DKIZTLTYTCGXQT-UHFFFAOYSA-N 330.453 4.056 0 40 EIAB CN(Cc1ccccn1)c1ncnc2sc(-c3ccccc3)cc12 49980144 LIJNUISJFHSLAX-UHFFFAOYSA-N 332.432 4.390 0 40 EIAB Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)c2c(C)noc2n1 54842938 BRWMRCWGCUCSIA-UHFFFAOYSA-N 336.178 4.399 0 40 EIAB C[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 54950658 GWGRFVYQIRLIMW-CZUORRHYSA-N 334.423 4.001 0 40 EIAB Cc1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1 57263937 DABLQQYUHIVVNW-AWEZNQCLSA-N 347.455 4.121 0 40 EIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1ccc(F)cc1 59418998 HTHKUYLKPMIBPT-OQLLNIDSSA-N 346.358 4.071 0 40 EIAB CC(=O)Nc1cc(NC(=O)N(C)C2[C@@H](C)CCC[C@@H]2C)ccc1C 69699648 OKTBMLZBBRSDEU-KBPBESRZSA-N 331.460 4.242 0 40 EIAB CCn1c([C@H](C)NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)nc2ccccc21 72045115 YEYLITBABVPTKD-RLFYNMQTSA-N 339.483 4.472 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1CCN(Cc2ccccc2)C1 72306862 YGYLYSQMDJNFQI-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB c1csc(-c2nc(NC3CCCCC3)ncc2-c2cnccn2)c1 72338740 XUPAJWXXLCULNA-UHFFFAOYSA-N 337.452 4.407 0 40 EIAB CCc1nc(C)sc1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 72404077 PNWGCTRRTCSADF-UHFFFAOYSA-N 340.452 4.069 0 40 EIAB Cc1cc(C(=O)N(C)[C@H](C)c2ccccn2)cc(C)c1OC(F)F 78562112 SWCMMNAZVAEOTJ-CYBMUJFWSA-N 334.366 4.133 0 40 EIAB CC1(C)OC(=O)c2c1ccnc2N[C@H](c1ccccc1)c1ccccn1 79002342 BDEZQVLANNTWIO-GOSISDBHSA-N 345.402 4.084 0 40 EIAB COc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1OC 89064218 ONRZFDZVMPEBJK-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB CC(C)c1[nH]c(=S)c(C(=O)NCc2ccco2)c2c1CCCC2 95117593 AWPPDWIQRPNIFE-UHFFFAOYSA-N 330.453 4.269 0 40 EIAB CCCn1c(CCCNC(=O)OCCC(C)C)nc2ccccc21 95471839 BXXUHRNCQLLWPL-UHFFFAOYSA-N 331.460 4.151 0 40 EIAB CC(C)N(C)[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccccc1 96061657 SAZOBIXORJJOHR-UXHICEINSA-N 328.525 4.274 0 40 EIAB Cc1nc(C[S@@](=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)oc1C 97083625 JWGYHGXDZOPSCD-BGJPBQGDSA-N 347.358 4.200 0 40 EIAB Cc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 101277026 AAGGPQCNJWWWJA-ZDUSSCGKSA-N 349.217 4.046 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC(C)(C)C 113943274 IHSOFKFJODSRKU-AWEZNQCLSA-N 337.529 4.399 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(C)ccc1C 223154063 KJTYJZRVQAGOIF-SFHVURJKSA-N 339.435 4.344 0 40 EIAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1C 223847926 SFGUCDOWOFHLRB-IBGZPJMESA-N 336.435 4.003 0 40 EIAB CSc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 223984811 OLFFMDSXAUNPBK-UHFFFAOYSA-N 327.449 4.305 0 40 EIAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccccc1Cl 225452494 DVJYJHZTMMTPCJ-UHFFFAOYSA-N 342.855 4.012 0 40 EIAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cn1 225899997 JYXJEZSGVXCFFB-BEFAXECRSA-N 334.460 4.184 0 40 EIAB Cc1ccc(C(C)(C)CNC(=O)c2ccn(C)c2-c2ccccc2)nc1 628716431 OLQUOCUROMYKSW-UHFFFAOYSA-N 347.462 4.103 0 40 EIAB O=C(c1ccnc(C2CCCC2)n1)N1CC(c2cccc(Cl)c2)C1 1615049518 VTTPHLLXMMPFLC-UHFFFAOYSA-N 341.842 4.027 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccccc1Cl 1775967036 BXBTTWMLMCZDGO-ZDUSSCGKSA-N 347.823 4.125 0 40 EIAB Cc1cc2ncn(C[C@H](O)COc3cccc4ccccc34)c2cc1C 243049 WISMTFRRXIIKAV-SFHVURJKSA-N 346.430 4.246 0 40 EIAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1 248638 MUZGBVLOJJYHRX-UHFFFAOYSA-N 347.871 4.159 0 40 EIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 505688 NUTBWJNEXJRAQV-AWEZNQCLSA-N 341.407 4.004 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(CN(CC)CC)cc2)c1 568294 YTIFEWWDQLGYBD-UHFFFAOYSA-N 326.440 4.179 0 40 EIAB CCCCN(CCCC)C[C@H](O)c1ccc(Br)cc1 1599083 DZPCODSIDDFTAM-INIZCTEOSA-N 328.294 4.385 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 1961916 FWBHOUYEKQFHKI-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCCC[C@H]1C[C@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O 2102245 OROXZXPYZYSMQA-FUHWJXTLSA-N 348.439 4.000 0 40 EIAB biogenic CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1 3363917 LQCHGICOCJLCGN-UHFFFAOYSA-N 338.787 4.241 0 40 EIAB COc1ccc(C)cc1NCC(=O)Nc1cccc(Cl)c1Cl 3398479 CDTQFAGKNBZDIL-UHFFFAOYSA-N 339.222 4.361 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)o1 5798940 MVOHJNGKJHXFJN-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB Cc1cc(C(F)F)nc2sc(C(=O)NCc3ccccc3)c(N)c12 6400152 JLWJMSCKMAYQMV-UHFFFAOYSA-N 347.390 4.055 0 40 EIAB Cc1cc(SCC(=O)Nc2cccc(F)c2)nc2ccccc12 6788606 VGLNVCLQLFFCHG-UHFFFAOYSA-N 326.396 4.413 0 40 EIAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccccc1F 6813662 GHMSKJURWLOHSQ-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB COc1cc(C)c(N[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 7057706 JMGQHFCFYIYXJH-CYBMUJFWSA-N 338.407 4.177 0 40 EIAB CCCCn1nnnc1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 7262180 TZFXGZYEJXVPBF-UHFFFAOYSA-N 349.797 4.138 0 40 EIAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 7509657 RZYDOXHHNNKPLX-LBPRGKRZSA-N 332.359 4.077 0 40 EIAB COc1ccc(CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1 7871780 VLGGBGITDLFKRV-UHFFFAOYSA-N 349.883 4.489 0 40 EIAB COc1cc(NC(=O)CCCc2cccs2)c(OC)cc1Cl 8313542 GSWVAAZWJLSFGF-UHFFFAOYSA-N 339.844 4.380 0 40 EIAB CCOc1ncccc1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 8708074 CWXUJLWNITZKTD-VAWYXSNFSA-N 345.402 4.298 0 40 EIAB COc1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 8803074 OAKRFIJZKSLCST-UHFFFAOYSA-N 347.414 4.137 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062790 INYKENXAURZIFM-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB CCc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 9141460 IGKPXEJKMFMDHV-UHFFFAOYSA-N 327.277 4.066 0 40 EIAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCCC1 9210702 JSARWIQWUVTYRR-UHFFFAOYSA-N 340.467 4.155 0 40 EIAB COc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1O 9741051 JAOJUDSVHIVIEC-UHFFFAOYSA-N 335.285 4.106 0 40 EIAB Cc1cc(-c2cnc(NCc3ccccn3)nc2-c2ccoc2C)on1 12223068 IHXDSDWIIYSVJM-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB COc1ccccc1C1(NCc2cc3c(cc2C)OCO3)CCCC1 12328263 IFXRBDAJIVLBND-UHFFFAOYSA-N 339.435 4.291 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 12748830 XQSPULRDPXUHKQ-HNNXBMFYSA-N 345.826 4.459 0 40 EIAB COc1ccc(CSCCC(=O)N2CCc3ccccc32)cc1F 12868418 QYGWJYCKPHWISN-UHFFFAOYSA-N 345.439 4.047 0 40 EIAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)c1 13036280 QNFOBAHMJAUJLQ-PZJWPPBQSA-N 343.386 4.030 0 40 EIAB CCOc1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21 13823397 JDEUADWITJLOCN-MRXNPFEDSA-N 326.465 4.449 0 40 EIAB CC(=O)c1ccccc1OCCOc1ccc(C)c2c1C(=O)C[C@H]2C 14708228 MYKYBGBPNZRGOA-CQSZACIVSA-N 338.403 4.345 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cc(OC)c1 16705950 QIUDBTJDOZTDLO-DKIRPXMTSA-N 327.380 4.072 0 40 EIAB Cc1cccc(-c2nnc([C@H](C)Sc3nc(C(C)C)n[nH]3)o2)c1 17673790 IGVBCDHBSUTJAS-NSHDSACASA-N 329.429 4.140 0 40 EIAB O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 18115691 GYXYSDLSMHXYGV-XLAORIBOSA-N 341.838 4.356 0 40 EIAB Cc1ccc(C)c([C@@H](O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 19132038 VOFQAAUHBRLSNS-UTKZUKDTSA-N 349.478 4.093 0 40 EIAB c1cncc([C@H]2CCCCN2CN2CCCC[C@@H]2c2cccnc2)c1 19322756 KFIPVCUMEJOXQF-NHCUHLMSSA-N 336.483 4.188 0 40 EIAB biogenic Fc1ccccc1Cc1nnc2sc(-c3cccc(Cl)c3)nn12 19910018 FMUFZHPKBUCGQY-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H]1CCCc2ccccc21 20030099 PMBOMYUHLGCHPE-QGZVFWFLSA-N 349.459 4.321 0 40 EIAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 22522422 ZROZNDBIQJGDMH-UHFFFAOYSA-N 347.462 4.408 0 40 EIAB Cc1noc(CSc2ccc(C(=O)Nc3ccccc3F)cc2)n1 25048370 JPXFJEQJDRNWBZ-UHFFFAOYSA-N 343.383 4.062 0 40 EIAB Cc1ccc(-n2nc(C)c(NC(=O)NCc3ccccc3)c2C)cc1 25231343 NXFOPLJQPPJJBX-UHFFFAOYSA-N 334.423 4.119 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 25558098 MENYRVLDWKVWLK-YRQPXTNQSA-N 334.500 4.322 0 40 EIAB CCC(CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 25678922 NKGJWNFEBGWNEL-UHFFFAOYSA-N 341.411 4.326 0 40 EIAB COc1cc(CN[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC 26313157 SQYUVDROJZPFBH-CYBMUJFWSA-N 341.407 4.309 0 40 EIAB Cc1ccc(C)c([C@H](C)Nc2cc(C)nc3nc(C(F)(F)F)nn23)c1 26703495 FHRSNVAIRAKCJP-LBPRGKRZSA-N 349.360 4.241 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(F)cc1F 27065832 XPFABXAYGIUMBF-UHFFFAOYSA-N 349.402 4.045 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)no1 33145806 PKGHNRWWQGCZBV-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1 35318815 HHRZGQGIZAKILL-HNNXBMFYSA-N 327.428 4.145 0 40 EIAB c1ccc(Cc2noc(CN(Cc3ccco3)Cc3ccco3)n2)cc1 47406687 FBPUYQWKBLQQBB-UHFFFAOYSA-N 349.390 4.049 0 40 EIAB CC(C)(C)CC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 69414837 MYVUZQCKURIPSH-AWEZNQCLSA-N 345.418 4.018 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72215088 CLQMIJQJGWZDMN-HOCLYGCPSA-N 333.476 4.388 0 40 EIAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CCC1 72215515 AGUGXOKHGLNMQQ-MRXNPFEDSA-N 331.460 4.190 0 40 EIAB Cc1cccnc1Nc1cncc([C@H]2CCCN2CC(C)(C)C)n1 72376266 URLAKFRIAJWJFY-MRXNPFEDSA-N 325.460 4.107 0 40 EIAB CCNC(=O)c1ccc(NCc2ncc(-c3ccc(C)cc3)o2)c(C)c1 72911869 MNPJFPFWJMPRLJ-UHFFFAOYSA-N 349.434 4.320 0 40 EIAB CCc1ccc([C@H](NC(=O)N(C)Cc2nccs2)C(C)(C)C)o1 74892579 FXMUGCRHJVNPQV-HNNXBMFYSA-N 335.473 4.227 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1csc2ccccc12 78602542 MEFFVKQQZQFGKK-LLVKDONJSA-N 343.452 4.409 0 40 EIAB CN(C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1CCCCCC1 83855628 VRYUQGGFWFTTOS-OALUTQOASA-N 348.462 4.410 0 40 EIAB CC(C)c1cc(CNC(=O)N(C2CC2)[C@@H](C)c2ccccc2F)on1 86398899 LQGOAYKVKFPZNU-ZDUSSCGKSA-N 345.418 4.372 0 40 EIAB CN(Cc1ccncc1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 88787368 INEGUZBLQNVZIN-FQEVSTJZSA-N 349.409 4.152 0 40 EIAB CCc1nc2ccccc2n1C1CCN(Cc2nc(C)c(C)o2)CC1 93299668 XFFIXJHVPJEJMA-UHFFFAOYSA-N 338.455 4.041 0 40 EIAB C[C@@H](NCc1cnc(C2CCC2)s1)c1noc(-c2ccccc2)n1 95415609 HBIPRLNCHRUHGI-GFCCVEGCSA-N 340.452 4.311 0 40 EIAB Cc1ocnc1CNC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 95984796 HRGFGSDQVHDFIN-UHFFFAOYSA-N 340.383 4.083 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1Cl 96008691 NTWYLKIKNJCFGP-UHFFFAOYSA-N 344.842 4.046 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccn3)c2)cc1 96122677 XVKKVJJEPVVBOM-UHFFFAOYSA-N 332.359 4.329 0 40 EIAB CC(C)NC(=O)N1CCC2(CCc3ccc(-c4ccncc4)cc32)CC1 96241721 HGRUXPWBVMLQDL-UHFFFAOYSA-N 349.478 4.146 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(C)(C)C)on1 96418054 BKZVZCQGHHNXPP-CQSZACIVSA-N 330.432 4.372 0 40 EIAB COC(=O)N[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917451 CEZKLEHYJURHTB-FFKCJEPHSA-N 349.515 4.115 0 40 EIAB CC(C)(C)OC(=O)c1cc(Br)cc(C(F)(F)F)c1 139699653 XKXIEAYUTFPKAN-UHFFFAOYSA-N 325.124 4.423 0 40 EIAB COc1ccc2[nH]cc(CCC(=O)c3ccc(OC)c(F)c3)c2c1 199732190 TTXHWZVPODLDNZ-UHFFFAOYSA-N 327.355 4.140 0 40 EIAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@@H](c2ccccc2)CC1 208039228 CCIYZGLUMGWPQL-LJQANCHMSA-N 336.460 4.488 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1cnc(-c2ccc(F)cc2)nc1 222612681 BVZVAIABTOBEED-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1C1CCCCC1 223080904 QPEPFGSXJOSASY-SJORKVTESA-N 343.521 4.448 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223226346 WLVDYQOKUAKGGQ-IRXDYDNUSA-N 337.463 4.437 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)CCc2ccc(C)c(C)c2)c1 224109872 RTIQXZNQHRMIRZ-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB Cc1ccc(C)c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 225053421 HWYVLEONMCQUKS-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225087685 XTQIEZAXPAOGOW-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1cc(C)cc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1 225093893 HPQBAELBXANIIW-MRXNPFEDSA-N 338.325 4.397 0 40 EIAB Cc1cccc(NC(=O)Cc2nc(-c3ccncc3Cl)cs2)c1 225455056 IHFXSZZRQMAFGF-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@H]2CCSC2)nc1 225714106 GVKPUIGGCZSTBW-ZDUSSCGKSA-N 348.855 4.180 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C)n1 225868200 HAMWPEISLUVPGR-UHFFFAOYSA-N 342.414 4.378 0 40 EIAB CO[C@H](CNC(=O)/C=C/c1cccs1)c1cc2ccccc2o1 253473498 VPJWMKLVYYYYQC-KBOKABMXSA-N 327.405 4.011 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531690 YNAGVHDXBFFZOT-DBENCMRHSA-N 337.548 4.232 0 40 EIAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)C3N=N3)CC[C@H]12 253595760 IEVSFXLZSHRGPR-YPJYRYKBSA-N 342.483 4.287 0 40 EIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCC2)cc1 408675604 JLLLCWHXQWYPLX-UHFFFAOYSA-N 346.430 4.156 0 40 EIAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(F)cc1 409025687 YLVRODPNQMPNHF-UHFFFAOYSA-N 341.810 4.281 0 40 EIAB CC1(C)CC[C@H]2CN(C(=O)CCc3cccc(Cl)c3)CC[C@@]2(C)O1 585284952 JGPWPINQHOHZQL-OXJNMPFZSA-N 349.902 4.469 0 40 EIAB C/C=C/c1cc(C)ccc1[C@H](C)[C@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1 1772591484 YGJPBGVCODIPCC-YDRSKHTLSA-N 342.435 4.263 0 40 EIAB Cc1ccc(-c2csc3ncn(CC(=O)C(C)(C)C)c(=O)c23)cc1 257454 CDZVJLMUHSUHDP-UHFFFAOYSA-N 340.448 4.049 0 40 EIAB CSc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1 364122 BXTGXDLLDKPDDL-LLVKDONJSA-N 335.498 4.201 0 40 EIAB O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(Cl)c(Cl)c1 397530 RAPJIPXYCVHSNT-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB in-vitro CCC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 560783 UHPRXEIILXQAAR-GJZGRUSLSA-N 326.440 4.024 0 40 EIAB CN(Cc1ccccc1F)c1nc(-c2cccnc2)nc2ccccc12 3342097 BXUKOIPKEOHXAA-UHFFFAOYSA-N 344.393 4.467 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1 3436760 NXSLZXLUSWXKRQ-UHFFFAOYSA-N 335.403 4.143 0 40 EIAB Cc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 4570724 UQTIFFXEQDSGEZ-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 5400124 QNTVHSBJDNLSRQ-UHFFFAOYSA-N 327.453 4.028 0 40 EIAB Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 5407875 GWDPWALJBYJNBZ-HXUWFJFHSA-N 339.435 4.283 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 5750808 PJKWBINFJGSACA-ZDUSSCGKSA-N 341.407 4.010 0 40 EIAB Cc1sc(NC(=O)c2ccccc2F)c(C(=O)OC(C)C)c1C 6254939 PQXOPYVELMCXPT-UHFFFAOYSA-N 335.400 4.322 0 40 EIAB CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 6315905 DZNPSGKFNVOKDG-UHFFFAOYSA-N 333.478 4.088 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 6316527 JJRLLMDZAFBAAI-UHFFFAOYSA-N 339.819 4.159 0 40 EIAB Cc1nc2ccccc2c(C)c1C(=O)OCCOc1ccccc1F 7710837 NBQMGILUBVDQDB-UHFFFAOYSA-N 339.366 4.227 0 40 EIAB COc1ccc(-c2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 8209174 JLHMHZARWVILTL-UHFFFAOYSA-N 338.432 4.122 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 8304164 LOPGYGDYMJOCHH-AWEZNQCLSA-N 333.884 4.488 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H]1c1cccs1 8428289 KNOLGUAFXBNILG-CYBMUJFWSA-N 349.839 4.150 0 40 EIAB CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1 8915638 SMXXOVKIRIEUKV-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB Cc1cccc(C)c1NC(=O)C(O)(c1ccccc1)c1ccccc1 12029368 REJVKRYEBOXIGY-UHFFFAOYSA-N 331.415 4.178 0 40 EIAB CCS(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 12250892 YRYIRMJZEAEAJC-UHFFFAOYSA-N 344.461 4.239 0 40 EIAB Cc1cc2ccccc2n1CC(=O)N1CCC(c2ccc(O)cc2)CC1 12607238 BUZYFGIXDZXUTM-UHFFFAOYSA-N 348.446 4.062 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc2ncccc12 13023794 MMSKDDZDGBRCBB-UHFFFAOYSA-N 328.774 4.300 0 40 EIAB COc1ccc(OCCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 14573589 GUEHKMGIQAPPOQ-KRWDZBQOSA-N 341.451 4.348 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)N(Cc1ccccn1)C1CC1 15566009 GVAZBFFNFNNCEB-UHFFFAOYSA-N 346.430 4.050 0 40 EIAB Cc1ccc(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 16022465 PISZUTJDBNFKQD-UHFFFAOYSA-N 329.509 4.313 0 40 EIAB Cc1cc(-c2ccccc2)n(-c2cc(NNc3ccccc3)ncn2)n1 16283356 HOWSXNGMRAHGMQ-UHFFFAOYSA-N 342.406 4.077 0 40 EIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccoc1C(F)(F)F 16739569 OOLADSIAIBBYCJ-VIFPVBQESA-N 327.277 4.419 0 40 EIAB S=C(NCc1ccccc1CN1CCCCC1)Nc1ccccc1 18945244 NKCATLDAUHJXOK-UHFFFAOYSA-N 339.508 4.159 0 40 EIAB Cc1ccc([C@H](O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)c1 19132421 IFBKTSMUHHSBHQ-DYESRHJHSA-N 349.478 4.093 0 40 EIAB Cc1cnc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)s1 20426896 HLQUNPGVSFPRJP-UHFFFAOYSA-N 343.355 4.332 0 40 EIAB COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c(OC)c1 22284722 DZGJOCKBOGBJBA-GOSISDBHSA-N 347.842 4.484 0 40 EIAB CSCc1nnc(SCc2csc(-c3ccc(C)o3)n2)o1 32330576 VRCFVUZELMFCHA-UHFFFAOYSA-N 339.467 4.250 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1C 32585598 DLPGRCBUNAWJAH-UHFFFAOYSA-N 333.453 4.065 0 40 EIAB COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCCCC3)cc1 32611748 MCDYPVTYWMQRIN-UHFFFAOYSA-N 349.454 4.175 0 40 EIAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1O 32796984 WKNZMBZXCXCGHL-NEPJUHHUSA-N 344.377 4.141 0 40 EIAB CCCS(=O)(=O)Nc1cc2c3c(oc2cc1C)CC(C)(C)CC3=O 35685399 SIHHPBJZEWOXDD-UHFFFAOYSA-N 349.452 4.048 0 40 EIAB C[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 36074695 SISWZZJKVYQYCS-CQSZACIVSA-N 331.843 4.417 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1 36394164 GARCNQIMLDEDLE-GWCFXTLKSA-N 346.805 4.048 0 40 EIAB O=C(Nc1cccnc1Oc1ccccc1)c1ccc(F)c(F)c1 36832982 OGVSCOGONFNSDA-UHFFFAOYSA-N 326.302 4.404 0 40 EIAB CC(C)c1ccc(NC(=S)NC[C@H](C)N2CCCC[C@@H]2C)cc1 36847532 NBZWKSXFOKSUSU-HOTGVXAUSA-N 333.545 4.359 0 40 EIAB CCN(CC)C(=O)COc1cc2sc(C)nc2c2sccc12 39477668 FAGMWEHUMAFFCE-UHFFFAOYSA-N 334.466 4.067 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 44900174 BJJIQKIBWYWDMK-UONOGXRCSA-N 345.464 4.062 0 40 EIAB O=C(NCCc1nccs1)Nc1ccc(Cl)cc1C(F)(F)F 51617810 JSKUMGJQMCLYDJ-UHFFFAOYSA-N 349.765 4.180 0 40 EIAB CCN(C(=O)Nc1nnc(C)s1)[C@H](C)c1cc2ccccc2o1 56514209 OFXZJQKPGJTOEV-SNVBAGLBSA-N 330.413 4.208 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(-n2cccc2)cc1 57655886 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EIAB C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ncc(C(C)(C)C)o1 84667931 KEZJIWFLOCIOJI-LLVKDONJSA-N 343.456 4.016 0 40 EIAB C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccc2c(c1)CCO2 89905093 AXZNNIBOCDKMRL-BBRMVZONSA-N 342.464 4.291 0 40 EIAB Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C2OCCO2)cc1 95967973 UUVHILTUIKMJJT-CYBMUJFWSA-N 346.496 4.471 0 40 EIAB O=C(NC[C@H](O)c1ccsc1)Nc1cc(-c2ccco2)ccc1F 96435476 ADWMBAKNGNYQPH-HNNXBMFYSA-N 346.383 4.002 0 40 EIAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1COc1ccccc1F 100886351 RWGLFPMJGRSQIX-ZOBORPQBSA-N 347.459 4.282 0 40 EIAB C[C@@H](NC(=O)CSc1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102181731 RVCQWVRRPPENEJ-RFGFWPKPSA-N 346.521 4.329 0 40 EIAB COC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1cccs1 104168355 ODCHPKMZSMPCNF-HNNXBMFYSA-N 337.400 4.064 0 40 EIAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1F 192671399 NRYUJVFAGKLXLM-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB COc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1OC 199710516 PHYIXAYJTFOTRD-UHFFFAOYSA-N 344.411 4.480 0 40 EIAB CCOC(=O)c1cccc(OCc2cccc(Br)c2)c1 216849601 VVZKFJDRBRDTLY-UHFFFAOYSA-N 335.197 4.205 0 40 EIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 222780294 OUDVXPYTJOESBQ-MSOLQXFVSA-N 342.512 4.073 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(F)cc1 222993170 YBMRAAPEFACRKV-HXUWFJFHSA-N 343.442 4.349 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2nnc(SCC(C)C)s2)cc1 223450246 VXCYZZZGNUYLRP-CMDGGOBGSA-N 333.482 4.247 0 40 EIAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(SC)cc1 224972471 IBOPLJNIAQOZKQ-UHFFFAOYSA-N 335.494 4.241 0 40 EIAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225073323 CYYPDXUBGUWCIF-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1cc2cccc(Cl)c2oc1=O 226039449 VMKLJUUNGNOBPY-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 408700948 OUKDAORNIJZJCR-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB CCc1oc2ccccc2c1CC(=O)N(C)CCc1ncc(C)s1 528892258 AAJDKPJVHMZSIG-UHFFFAOYSA-N 342.464 4.004 0 40 EIAB CCOC1(c2nc(-c3ccc(NC(C)(C)C)cn3)no2)CCCC1 585084187 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KPUPPPHGPVNMRR-UHFFFAOYSA-N 328.751 4.397 0 40 EIAB COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1OC 3402428 LJFXQLUMOSJLJJ-UHFFFAOYSA-N 338.407 4.147 0 40 EIAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1Cl 4070361 CNCQYKJTLZTFHS-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nncn3n2)cc1 4377137 YYLSXYZFBGBDFY-UHFFFAOYSA-N 349.438 4.090 0 40 EIAB O=c1c(Cl)c(Cl)cnn1Cc1ccc(-c2ccccc2)cc1 4932250 KVXADSODZQNMFO-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB C[C@H](Oc1ccccc1)c1nn2c(-c3cccs3)nnc2s1 4939243 CVJFMODUGGQFPU-JTQLQIEISA-N 328.422 4.054 0 40 EIAB CCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 5204028 CZSQWZGIJKJVRC-UHFFFAOYSA-N 330.453 4.116 0 40 EIAB COc1ccc(NC(=O)c2c(Cl)cccc2Cl)c(OC)c1 5513338 CDDLGDDDEQAYGU-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB O=c1[nH]c(/C=C/c2ccsc2)nc2sc3c(c12)CCCCC3 6509864 PBJIFZUMECUTJF-VOTSOKGWSA-N 328.462 4.485 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 6617285 IZSDRPZNOODBAV-LHUKNYEISA-N 339.564 4.383 0 40 EIAB Cc1ccc(OC(=O)c2nc(SC(C)C)ncc2Cl)cc1C 6748070 ICBDAFRYZCQJRU-UHFFFAOYSA-N 336.844 4.467 0 40 EIAB COc1ccc(CC/C(C)=N/NC(=S)Nc2ccccc2F)cc1 7010324 MRAIEMUCWABAHU-FYJGNVAPSA-N 345.443 4.129 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1 7468475 NTEDJDUQIJCBRX-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2ccccc2)c1 8220286 AOKVYAFLGQYXDI-NSHDSACASA-N 349.839 4.246 0 40 EIAB Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)no1 8343649 NWVKLYJIJMSCDB-AWEZNQCLSA-N 340.448 4.318 0 40 EIAB COC(=O)c1c(CNc2ccccc2C(C)=O)nc2ccccc2c1C 8721049 ROJHHMXCTSHABB-UHFFFAOYSA-N 348.402 4.145 0 40 EIAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1Cl 9196344 IUXTWEKEICYQBG-UHFFFAOYSA-N 341.798 4.351 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 9232154 CEEPOOHRNIBJBW-KRWDZBQOSA-N 336.435 4.110 0 40 EIAB CCc1cccc2c(C(=O)C(=O)Nc3cccc(Cl)c3)c[nH]c12 9615219 APPNMUSJBFLVQU-UHFFFAOYSA-N 326.783 4.205 0 40 EIAB CCOC(=O)c1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1C 9659850 IZQSIAYBNIYSER-UHFFFAOYSA-N 341.338 4.309 0 40 EIAB biogenic O=C(c1cccc(C(F)(F)F)c1)N1CCc2[nH]c3ccccc3c2C1 9899742 YATBUZSCAYAMBO-UHFFFAOYSA-N 344.336 4.385 0 40 EIAB CC(C)[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 11473925 UYKZENZPHNDGRF-MGPUTAFESA-N 342.508 4.181 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 11614049 RMAHXCUMYDBBTF-HNNXBMFYSA-N 349.496 4.486 0 40 EIAB O=C(NCc1cc(-c2cccs2)on1)c1cccc2ccccc12 12235796 JLZWDKGAEFNYSK-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB CCOc1ccc2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1 12493226 YWRBPKHLFLCDPU-UHFFFAOYSA-N 328.799 4.192 0 40 EIAB Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 12655506 CWEKHXSSQMBRHH-LKTQXZJLSA-N 327.468 4.320 0 40 EIAB biogenic CC(C)c1ccc(/C=C/C(=O)NCc2ccnc(N3CCCC3)c2)cc1 12759723 UUUBVSKTXPBIHA-JXMROGBWSA-N 349.478 4.135 0 40 EIAB Cc1ccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c(O)c1 12811563 WPGCYYUJHIMCKR-UHFFFAOYSA-N 343.452 4.329 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1C 12816751 BVIZMUVDWGNBAK-OAHLLOKOSA-N 333.435 4.289 0 40 EIAB CCC[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 13005843 USFYBAUOCPXMLT-FQEVSTJZSA-N 333.435 4.072 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccccn1 13690431 IQEAMNHRLZPZGH-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1ncn(C2CC2)c1=S 14168640 YSIYIRVKPBCJRK-NSHDSACASA-N 345.497 4.009 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 14553017 SGUVRDFQBDTIST-LBPRGKRZSA-N 334.213 4.164 0 40 EIAB C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1ccccc1 15565850 ZBUQQLTXAIUSEC-LLVKDONJSA-N 334.213 4.029 0 40 EIAB S=C(NCCSCc1ccco1)Nc1cccc(Cl)c1 16313911 ZXUHHIQYJSEAKN-UHFFFAOYSA-N 326.874 4.153 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1 17909800 GRFUICFFDNMTAP-UHFFFAOYSA-N 346.452 4.068 0 40 EIAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc2ccccc2c1 24045194 LGNZPQNHQNRPRD-OAHLLOKOSA-N 343.430 4.269 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 24960833 ABGMOBUKXSQZPW-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 28287471 SXVUKCUMSFYQLK-UHFFFAOYSA-N 340.354 4.115 0 40 EIAB O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1ccco1 32623061 HLXKUGKOFSNRRP-UHFFFAOYSA-N 349.321 4.388 0 40 EIAB S=C(Nc1ccccc1)N1CCC(n2cnc3ccccc32)CC1 35291828 MHDQBQXNSJHSGZ-UHFFFAOYSA-N 336.464 4.070 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2cccc(O)c2)C1 36358102 KZPGPCYSZNXULA-HNNXBMFYSA-N 339.782 4.355 0 40 EIAB CCCCCC[C@H](O)C[C@@H]1O[C@H]1CCCCCCCC(=O)OC 38287283 JTZNGIXLOGCDSA-BZSNNMDCSA-N 328.493 4.379 0 40 EIAB COc1ccc(-c2nc(CN(C)[C@H]3CCc4ccccc43)co2)cc1 40050672 YRMORPFGWBHIEC-FQEVSTJZSA-N 334.419 4.470 0 40 EIAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(OC(F)F)cc1 40059907 BGXGIENLJURYQP-CYBMUJFWSA-N 333.378 4.443 0 40 EIAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl 42797834 RWGXJXRIHAFWII-QGZVFWFLSA-N 344.842 4.040 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC[C@@H](c1cccs1)N(C)C 43340909 NEFZGUKKMXWADK-INIZCTEOSA-N 345.512 4.297 0 40 EIAB CCCOc1ccccc1NC(=O)N(C)Cc1ccccc1OC 43452303 CDRKUYWSPVDAOD-UHFFFAOYSA-N 328.412 4.148 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 44471331 GBKKRGUJFMBQGC-GFCCVEGCSA-N 346.427 4.045 0 40 EIAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C1CC1)CO2 57140887 HQTQBCNTESDGAP-UHFFFAOYSA-N 333.387 4.083 0 40 EIAB biogenic COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccncc2)cc1 58003608 VIYTUIUGYYCPQJ-UHFFFAOYSA-N 347.418 4.325 0 40 EIAB CCn1ncc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21 58423494 KYRZZOTYQBEXGK-UHFFFAOYSA-N 345.402 4.227 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)C1(C)C 65161036 CLKANWMSKSSLCR-AEFFLSMTSA-N 328.431 4.204 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccccc1OC(F)(F)F 71281071 MIGBHVCOEMZACF-LLVKDONJSA-N 339.317 4.486 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nnc(-c3ccsc3)s2)C1(C)C 71819371 POMGHBJNEGKGJF-RYUDHWBXSA-N 333.482 4.444 0 40 EIAB Cc1ccc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C)c2n1 72090911 HXYZMADPFJOYBA-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1)C1CCCC1 72215605 NTUVCDFJQMBRRA-MRXNPFEDSA-N 331.460 4.190 0 40 EIAB Cc1sc2c([C@@H]3CCCN(Cc4ccncc4)C3)nc(C)n2c1C 72351263 LXFSKTLRTUXYRA-QGZVFWFLSA-N 340.496 4.096 0 40 EIAB C[S@](=O)Cc1cc(NC(=O)CCC2CCCC2)ccc1Cl 79361164 NMJMQVXMOWGIHJ-OAQYLSRUSA-N 327.877 4.127 0 40 EIAB COc1ccc(C2(C(=O)Nc3ccc(O)cc3)CCCCC2)cc1 83943601 PBWIIBPZFLUJAI-UHFFFAOYSA-N 325.408 4.241 0 40 EIAB Cc1nnc2ccc(N[C@H](CC(C)(C)C)c3ccc(F)cc3)nn12 84297143 GAUZCJAEXDEGPK-OAHLLOKOSA-N 327.407 4.161 0 40 EIAB Cc1ccc(C(=O)Nc2ncc(Cl)cc2Br)cc1 89229026 GYWGGSZIILNVBX-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1cc(C)cc(NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 95442116 ZBIPSDTVJSMIKM-MRXNPFEDSA-N 346.471 4.279 0 40 EIAB CC(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C(F)(F)F)c2)s1 95642794 PUQITTZJAFOSAJ-UHFFFAOYSA-N 343.374 4.312 0 40 EIAB Cc1cc2occ(CC(=O)N[C@H]3CCO[C@@H](CC(C)C)C3)c2cc1C 95991271 IPPPNLNYQMNISB-ROUUACIJSA-N 343.467 4.302 0 40 EIAB C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(F)(F)F 96480847 SUIMTCGKWNDCLO-SSDOTTSWSA-N 338.738 4.345 0 40 EIAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(C)c(OC)cc1C 96659353 BCXXYQVOFLNEEJ-UHFFFAOYSA-N 347.480 4.238 0 40 EIAB C[C@@H]1CC[C@@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@H]1C 102061622 HSYKUCUHSYQGQW-IWSPIJDZSA-N 335.288 4.421 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2)cc1 218961257 BDXBULDBCCMGFQ-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB COc1cccc(C(=O)N2CCS[C@H](c3ccccc3F)CC2)c1 219088293 PBPYESJNLWJART-SFHVURJKSA-N 345.439 4.155 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 219317104 AEBPBETUQQJWMG-HKUYNNGSSA-N 341.451 4.045 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222783286 RIJPOGXZEZRSOE-UHFFFAOYSA-N 345.851 4.113 0 40 EIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222868488 VIVVASBDNMDMCC-IRXDYDNUSA-N 342.512 4.021 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(C)ccc2OC)cc1 222876495 ZMXPYNMDJAVUPQ-SFHVURJKSA-N 327.424 4.362 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222902128 BGPGUMAHFCFJLG-SCZPIIQISA-N 335.447 4.465 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NC(C)(C)Cc1ccccc1 223353243 DBHQOKKKNBGTIO-KRWDZBQOSA-N 329.415 4.121 0 40 EIAB CCOc1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1 225443445 JQYYEDSRKPIZHC-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB O=C(NCCOc1ccccc1Cl)c1ccc2c(c1)CCCC2 225634740 CSUKDAHWTQIHOP-UHFFFAOYSA-N 329.827 4.028 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCC(C)CC1 226329963 LIHSEYTVHVWSHY-UHFFFAOYSA-N 341.430 4.205 0 40 EIAB Cc1nnc([C@@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 252508899 XXCIGZQKWTYMHK-GHMZBOCLSA-N 335.448 4.186 0 40 EIAB CC(C)(C)c1cccc(C(=O)[C@H](Br)CBr)c1 382675609 PEFKYIOMHSSYTL-LLVKDONJSA-N 348.078 4.325 0 40 EIAB CCn1c2c(s/c1=N\C(=O)c1ccccc1C)CCc1ccccc1-2 408561920 LPUITZJXLMNZKB-DQRAZIAOSA-N 348.471 4.385 0 40 EIAB Cc1ccc(NC(=O)N2CC[C@H](Oc3ccncc3Cl)C2)cc1C 575605363 KBEKCLURRKXNBU-HNNXBMFYSA-N 345.830 4.037 0 40 EIAB CSC[C@@H](C)c1nc(Cc2cc(Cl)c(N)c(Cl)c2)no1 585120465 OVFCADYVLVBMCG-SSDOTTSWSA-N 332.256 4.016 0 40 EIAB Cc1ccc(-c2noc([C@H]3CCO[C@@H](c4ccccc4)O3)n2)cc1F 585133695 RCDIXNCUIKAIGX-VQIMIIECSA-N 340.354 4.361 0 40 EIAB O=C(CCCCCn1cccc1)N1CCc2[nH]c3ccccc3c2C1 604404893 INRIQHQGQZZPHG-UHFFFAOYSA-N 335.451 4.115 0 40 EIAB biogenic Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)c(C)o1 670785060 KEAYJKOISRFJHD-CQSZACIVSA-N 347.461 4.150 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CC[C@@H](C)C2 127453 HRXLVQKIVXTKPB-GFCCVEGCSA-N 342.464 4.392 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccc(Br)cc1 411398 YKDTWOVXDKBEDE-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB O=C(Nc1cccnc1Cl)c1cc(-c2ccc(Cl)cc2)on1 423610 IDKCRNYMFZKQDG-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB O=C(NC1=NCCS1)c1ccc(-c2cccc(Cl)c2Cl)o1 513835 VBQDZUJEMWXKFT-UHFFFAOYSA-N 341.219 4.086 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 579757 FUYNZYAGQWDIAM-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCO4)cc3)sc2c1 804575 WMAJULIUSGDHNE-MRXNPFEDSA-N 338.432 4.389 0 40 EIAB CC(C)c1nc(SCC(=O)N2CCC[C@@H](C)C2)c2ccccc2n1 1342889 NOICZLFENDSZAN-CQSZACIVSA-N 343.496 4.104 0 40 EIAB COC(=O)c1cccc(CSc2nc3cc(C)c(C)cc3[nH]2)c1 1439788 YVDAWJBTKCOAAX-UHFFFAOYSA-N 326.421 4.259 0 40 EIAB c1ccc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 1870456 PIBXELVEOXJXBR-UHFFFAOYSA-N 347.414 4.284 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 1911446 DYOSHQOAHPBJDL-UHFFFAOYSA-N 339.435 4.144 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1914174 PUJKRVSGJDQJTQ-UHFFFAOYSA-N 340.423 4.060 0 40 EIAB Cc1ccc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)cc1 2792673 JZMCJHMWRIWLIN-UHFFFAOYSA-N 334.347 4.458 0 40 EIAB COC(=O)NC(=S)Nc1ccc(Oc2ccccc2)c(Cl)c1 3151923 TWQPZPHFQJAONO-UHFFFAOYSA-N 336.800 4.185 0 40 EIAB CC[C@@H](C(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1 3225550 QMIIDENLHDFQLE-LJQANCHMSA-N 339.435 4.165 0 40 EIAB COc1ccccc1Cc1noc(/C=C/c2ccccc2Cl)n1 3913238 UUDOKKRHQLBMRK-ZHACJKMWSA-N 326.783 4.493 0 40 EIAB C[C@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 4024570 RBCKIFIDZCUQEN-OCJCKOLGSA-N 331.500 4.033 0 40 EIAB biogenic CC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1 4116989 SDACBVNETUKBAH-UHFFFAOYSA-N 330.438 4.277 0 40 EIAB CCCSc1nc2scc(-c3ccc(OC)cc3)c2c(=O)[nH]1 4649948 DIFSQELAPVEVNK-UHFFFAOYSA-N 332.450 4.162 0 40 EIAB CSc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1 5240367 JLXVRDGITFQZOI-CMDGGOBGSA-N 343.433 4.172 0 40 EIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(F)c1 7723907 GHBZOMCADPPIML-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB CCCCOC(=O)c1ccc2nc(NC(=O)CC(C)C)sc2c1 8903182 ALZVEUYRQDCDGQ-UHFFFAOYSA-N 334.441 4.238 0 40 EIAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3C)[nH]c2c1 9371871 JZXGXYIEEKJMAY-ZDUSSCGKSA-N 325.437 4.299 0 40 EIAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc(Cl)nc1 9452991 YJUDSFDTQGAPPE-UHFFFAOYSA-N 343.717 4.014 0 40 EIAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 11210490 QKRRDJLFBVEWKL-IBGZPJMESA-N 329.827 4.295 0 40 EIAB CN(C)Cc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 12567184 SNKMYLVPFDRBJG-UHFFFAOYSA-N 338.426 4.437 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3Cl)c12 12770397 JWMJHYUACYAMRG-UHFFFAOYSA-N 345.761 4.453 0 40 EIAB COc1cccc(-c2nc(N3CCC(C)CC3)c3ccccc3n2)c1O 13127740 CWCLFUMESZMVLC-UHFFFAOYSA-N 349.434 4.247 0 40 EIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1 14141202 XEQJTTVQOVDSBJ-UHFFFAOYSA-N 346.434 4.314 0 40 EIAB COc1ccc(-c2cc(NC(=O)C3CC3)ccc2OC(F)F)cc1 14188167 YEGCROBNCZBACR-UHFFFAOYSA-N 333.334 4.312 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1OC 15800430 IJIUJFIHDYHCJI-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 18543833 DKCVICDKOUPWCQ-LBPRGKRZSA-N 335.856 4.146 0 40 EIAB Fc1ccc([C@@H]2CN(C[C@@H]3CC=CCC3)C[C@H]2c2cc[nH]n2)cc1 19336155 XVONKGMTBGMJLZ-AYOQOUSVSA-N 325.431 4.088 0 40 EIAB CCc1cccc2c1Sc1ccccc1C[C@@H]2N1CCN(C)CC1 19802450 LVLNODDWMIJOHQ-IBGZPJMESA-N 338.520 4.245 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 20450816 FKASIPXKWWPYQY-DNVCBOLYSA-N 329.415 4.477 0 40 EIAB Fc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1 20661924 PBXPSBAJLFXDLJ-UHFFFAOYSA-N 345.381 4.039 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)c1ccccc1 20890330 SDXQRWZIUMPECF-UHFFFAOYSA-N 343.789 4.250 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 22996744 YLHFFNSEOOKABO-UHFFFAOYSA-N 334.219 4.372 0 40 EIAB O=C(Cc1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 24578123 UNONTVQDKKXYQX-AWEZNQCLSA-N 328.462 4.264 0 40 EIAB Cc1occc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 24748974 XRWHLTOKXFLXFN-IBGZPJMESA-N 345.402 4.178 0 40 EIAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl 25060493 BSOPOXJDYVOOHC-PELKAZGASA-N 341.707 4.469 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 25330315 BNNAOHCKXWDBOK-HNNXBMFYSA-N 348.537 4.111 0 40 EIAB O=C(Nc1cccc2cn[nH]c12)c1ccc2[nH]c3c(c2c1)CCCC3 26873258 BWOYFVYGFYHPIJ-UHFFFAOYSA-N 330.391 4.175 0 40 EIAB C[C@H]1Cc2ccccc2N1C[C@@H](O)COc1ccc2ccccc2c1 27529404 LJBKFUJLECHTRB-OXJNMPFZSA-N 333.431 4.031 0 40 EIAB COC(=O)c1ccc(CN2CCCCC[C@@H]2c2ccc(OC)cc2)o1 29155789 FRAOSMWBOUFOJT-GOSISDBHSA-N 343.423 4.192 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CCCc1nc(C(C)(C)C)no1 32661550 BHCSVANJJFRBQO-UHFFFAOYSA-N 335.835 4.290 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 33039540 XXPZMIDMEJXTEW-HUUCEWRRSA-N 342.405 4.213 0 40 EIAB COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(Cl)cc3)C2)cc1 38489527 QKJNDRWASFLFKW-MRXNPFEDSA-N 344.842 4.048 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1CCCc2ccccc21 40112562 AAHKQFMOBYDBJB-IBGZPJMESA-N 345.402 4.328 0 40 EIAB Cc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc1 40152998 RZBRTXXJRAINHR-UHFFFAOYSA-N 347.462 4.100 0 40 EIAB c1ccc(CC[C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)cc1 40153649 QKXKKQYVASYSKK-KRWDZBQOSA-N 339.464 4.395 0 40 EIAB CCCCOc1ccc(CNC(=O)NC2CCCCC2)cc1OC 44822270 MDIPOURTBNSMBF-UHFFFAOYSA-N 334.460 4.006 0 40 EIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 49544348 ALXFAKOHGJMSFP-LBPRGKRZSA-N 327.771 4.457 0 40 EIAB Cc1sc2c(c1C)CN(C1CCCC1)CN2C(=O)c1ccco1 49563742 PWTNAQDNAHUGHK-UHFFFAOYSA-N 330.453 4.320 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)NCC(c1ccccc1)c1ccccc1 58332867 MYLOQSGIUOGCQB-HNNXBMFYSA-N 348.446 4.343 0 40 EIAB O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccn1 60237859 ILEPTIXHWWBKOM-IBGZPJMESA-N 338.357 4.074 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2C[C@H]2c2ccco2)c1 69415474 UOPURNNMQRNHLG-UXHICEINSA-N 346.430 4.316 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 69744853 QKDLARGUJKTVGY-AWEZNQCLSA-N 340.448 4.224 0 40 EIAB CC(C)N1CCC(N(C)Cc2c(C(C)(C)C)[nH]c3ncccc23)CC1 72393647 JYSFMQJMGJHJRV-UHFFFAOYSA-N 342.531 4.165 0 40 EIAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccncc1)c1ccc(F)cc1Cl 77669979 KVTZTYGQNJSRSS-RYUDHWBXSA-N 335.810 4.338 0 40 EIAB CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(OC)nc1 84779626 RSGMTVWPOAMMRO-UHFFFAOYSA-N 330.453 4.087 0 40 EIAB C[C@@H](NC1CCN(CCc2ccncc2)CC1)c1cc2ccccc2o1 95421526 JHBLWEWLTJIETO-QGZVFWFLSA-N 349.478 4.186 0 40 EIAB C[C@@H]1C[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O 95447006 AOEFYOVXEYHLLG-NQIIRXRSSA-N 349.474 4.263 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2nc(Cl)sc2C(C)C)cc1 95476123 VOMJAZDBFVHVGC-UHFFFAOYSA-N 337.832 4.131 0 40 EIAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)no1 95998816 ZTDCOUQYZRAVIK-INIZCTEOSA-N 328.416 4.144 0 40 EIAB CC(C)Oc1ccc(CN[C@H](C)c2cnn(C)c2)c(C(F)(F)F)c1 96476960 APPLJYRMPBFTAC-GFCCVEGCSA-N 341.377 4.077 0 40 EIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 222780426 OUDVXPYTJOESBQ-QZTJIDSGSA-N 342.512 4.073 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2F)c(C)c1 223257379 MOEGSZAOBURAJF-UHFFFAOYSA-N 349.789 4.145 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2C)ccc1Cl 223289023 FWZZWFOEJBMBMM-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCC1 224432143 AHHZLKJZTLZAFX-OAHLLOKOSA-N 343.492 4.399 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(F)cc1F 225703613 SBRFAOQYOYUAPY-MRXNPFEDSA-N 348.418 4.337 0 40 EIAB COc1ccccc1-c1nnc(SC(=O)c2ccccc2Cl)o1 408623596 RIFYRTQMZGUVCB-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB C[C@@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 585140790 JPSIQVAIYLTRAH-PBHICJAKSA-N 333.501 4.400 0 40 EIAB O[C@H]1CCCC[C@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 1547139829 SETGIDMDBVUFBQ-CMOCDZPBSA-N 339.454 4.345 0 40 EIAB COc1cc(S(=O)(=O)Oc2cccc3ccccc23)ccc1Cl 1889281284 YQJXJRDFIQWSJD-UHFFFAOYSA-N 348.807 4.270 0 40 EIAB OC1(c2ccc(Cl)cc2)CCN(c2ccnc3ccsc23)CC1 2087018098 VWEQQCFKEGYKFF-UHFFFAOYSA-N 344.867 4.438 0 40 EIAB COc1ccccc1Nc1cc(C)nc(Nc2ccccc2OC)n1 27772 IUDCWQLXXBQWQP-UHFFFAOYSA-N 336.395 4.289 0 40 EIAB Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1-n1cccc1 143005 WQARUELRGWHIQV-UHFFFAOYSA-N 341.823 4.200 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 560764 YSVFWUPNHXQZFU-UHFFFAOYSA-N 338.382 4.258 0 40 EIAB COc1cc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O 818067 RZQUNHRYMHCUHO-FQEVSTJZSA-N 335.407 4.162 0 40 EIAB C[C@H]1CCCc2sc3ncn4nc(-c5cccc(O)c5)nc4c3c21 2326609 WDJHFTCEOSKDDO-JTQLQIEISA-N 336.420 4.151 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3216384 LYOPYBSYPVCZBI-INIZCTEOSA-N 345.826 4.324 0 40 EIAB COc1cc2c(cc1NC(=O)CN1CCCCC1)oc1ccccc12 3582664 WXIZTDRODIKARG-UHFFFAOYSA-N 338.407 4.019 0 40 EIAB CCCCNC(=S)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 4088086 ICQWBCHATNSMKT-QGZVFWFLSA-N 347.915 4.221 0 40 EIAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12 4242448 GBGHPBLFPPWVIY-SECBINFHSA-N 333.796 4.311 0 40 EIAB CCCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 4659847 BBRKTLCSCMIZCW-UHFFFAOYSA-N 348.782 4.135 0 40 EIAB COc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@H](C2)[C@H]1C 5048046 DZXSIVYZBVEOTC-NLSFWIRASA-N 335.491 4.462 0 40 EIAB COc1ccc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 5259550 OJXTZXSTWRXURK-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB Cc1ccc(-c2cc(NC(=O)COc3ccccc3Cl)on2)cc1 5451657 FZEQFORDSQCZPW-UHFFFAOYSA-N 342.782 4.321 0 40 EIAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 5471275 BQNRDLZOKHXMKG-OAHLLOKOSA-N 341.451 4.076 0 40 EIAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)NCCO 5820453 OZSKVMIBRHDIET-IBGZPJMESA-N 343.552 4.327 0 40 EIAB O=S(=O)(Nc1cc(F)ccc1F)c1cc(Cl)ccc1Cl 6888732 YFOZLQIANYAYHB-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB C[C@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cccs1 7138996 FMDSSIDPMOLGOP-QMMMGPOBSA-N 333.463 4.163 0 40 EIAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 7195518 QDZQFTCWLCUFNC-UHFFFAOYSA-N 334.784 4.266 0 40 EIAB O=C(OCc1nc(-c2cccs2)no1)c1cc2ccccc2s1 8392283 XQMUSOWDRWZXEZ-UHFFFAOYSA-N 342.401 4.370 0 40 EIAB COc1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 8541554 JQOOYVNYYPLJFV-UHFFFAOYSA-N 339.376 4.179 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccccc1OC 9336434 CAGCNBLECVIQKM-LBPRGKRZSA-N 348.830 4.105 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 11052421 JEEDGJXXJJFNHA-OAHLLOKOSA-N 337.419 4.319 0 40 EIAB Cc1ccc(-c2nc(N3CCC[C@@H](C)C3)ncc2-c2ccncc2)cn1 12232727 CHGLKJBBUHUQCS-OAHLLOKOSA-N 345.450 4.145 0 40 EIAB CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1 12583136 RIHMZYZISAXYSK-UHFFFAOYSA-N 337.448 4.071 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2Cl)cc1 13670538 ODCXERDDILDMPI-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1ccc(OC2CCCC2)cc1 13671565 OAFLXNMUSGQWIE-UHFFFAOYSA-N 341.407 4.278 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 17245170 WCDKJXUJAFXWJF-DBXWQHBBSA-N 339.479 4.356 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 20038100 JCOWVFOUOBRPAY-CQSZACIVSA-N 347.842 4.222 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1cc(F)ccc1F 20430194 NHNZWTFMJBHYPE-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 21195788 PSHPRPXKYCLFFB-ZDUSSCGKSA-N 347.842 4.383 0 40 EIAB COc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1 21667904 QGOLGFMXVBJFJA-UHFFFAOYSA-N 336.416 4.005 0 40 EIAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccco1)c1ccccc1 23873196 FUZMQOKOFRJFEQ-HXUWFJFHSA-N 330.387 4.475 0 40 EIAB CN(C(=O)COc1ccc2ccccc2c1)c1nc2ccccc2o1 24927454 JWLGAZWIYYJTHP-UHFFFAOYSA-N 332.359 4.023 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc2[nH]cnc2c1 25283438 GHECITUMQMJIPS-HXUWFJFHSA-N 341.414 4.277 0 40 EIAB Cc1c(C)n(C[C@H](O)CNCc2ccccc2)c2c(Cl)cccc12 28296752 UIGPWDODUHDVAJ-QGZVFWFLSA-N 342.870 4.062 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)N(Cc1ccco1)C1CC1 29010805 WEVWRIIECGAYOO-UHFFFAOYSA-N 335.403 4.248 0 40 EIAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc2c(c1)OCCO2 29024687 FMEUJVDZMDKOJA-UHFFFAOYSA-N 339.391 4.032 0 40 EIAB Cc1ccccc1OCCOC(=O)c1cccnc1Oc1ccccc1 32666165 WKBNDEGOVJOLSU-UHFFFAOYSA-N 349.386 4.418 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)o1)OCc1cn2ccccc2n1 40159172 LOEOWLJXAHXNRB-UHFFFAOYSA-N 346.386 4.270 0 40 EIAB CCOc1ccc(CCC(=O)N2CCCC(C)(C)C2)cc1OCC 44901762 YKBYYARYXKBXBV-UHFFFAOYSA-N 333.472 4.065 0 40 EIAB O=C(/C=C/c1nccs1)N[C@H](c1ccccc1)c1cccs1 47416265 YOUXQUSLDNQQDZ-KBOKABMXSA-N 326.446 4.124 0 40 EIAB CCCN(CC1CC1)C(=O)Nc1ccc(N2CCSCC2)cc1C 51673602 NNBWEBDJYGLLQQ-UHFFFAOYSA-N 347.528 4.202 0 40 EIAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(O)cc3)cc12 57288979 LTYZOGAYWMVKAS-UHFFFAOYSA-N 349.415 4.353 0 40 EIAB C[C@@H]1CCCC[C@H]1OCCN(Cc1cccs1)C[C@@H]1CCCO1 58345004 UJBUNJBNRVMAAW-ZIFCJYIRSA-N 337.529 4.324 0 40 EIAB C[C@H](COc1ccc(F)cc1F)NC(=O)C12CC3CC(CC(C3)C1)C2 65587059 PLUIHEGMTOSELJ-JSFDKUKPSA-N 349.421 4.065 0 40 EIAB CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 65734077 TXDLGPQGVDZCPB-CZUPSRJTSA-N 332.484 4.242 0 40 EIAB in-vitro O=C(NCc1ccc(-n2ccnc2)cc1)c1occc1-c1ccccc1 66941667 QBIRQFJLINOQJO-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB c1cc(COC2CCCCC2)ccc1CCCCN1CCOCC1 68606146 FIMCOGIEWUPHJV-UHFFFAOYSA-N 331.500 4.191 0 40 EIAB O=Cc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@@H]3CCC1 68675231 CJKDEKOSYBTXAM-OAQYLSRUSA-N 330.431 4.347 0 40 EIAB Cc1ccsc1CNC(=O)N[C@@H](c1ccccc1)c1ccncc1 69697043 AESRIYFFIRMEQD-SFHVURJKSA-N 337.448 4.040 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cc(Cl)cc2c1OCOC2 71279946 GBFCQCLCAVYKCC-GFCCVEGCSA-N 347.802 4.108 0 40 EIAB O[C@H](CNc1ncnc2sc(-c3ccccc3)cc12)c1ccco1 75668671 QFNBLSDKWOVTBW-CQSZACIVSA-N 337.404 4.097 0 40 EIAB O=C(Nc1ccc(F)cc1Cl)c1cccc(Oc2cnccn2)c1 78169044 RNNHASRUFFMTAB-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB Cc1ccccc1NC(=O)Nc1ccc(-c2cnc3n2CCC3)cc1 85556870 ODGWFUURSFDYLY-UHFFFAOYSA-N 332.407 4.449 0 40 EIAB O=C(Nc1cc(Cl)ccc1NCc1ccccc1)C1CCOCC1 89836558 ZJLFMLLBWFIJFA-UHFFFAOYSA-N 344.842 4.317 0 40 EIAB NC(=O)c1ccc(NC(=O)N2CCCC[C@H]3CCCC[C@@H]32)cc1Cl 95457599 RWJVVTXHHDJMIO-WBMJQRKESA-N 349.862 4.016 0 40 EIAB O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@H]1c1ccsc1 96413787 LVJLPNAPFHHJCY-HNNXBMFYSA-N 344.461 4.371 0 40 EIAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cccnc1 96434105 MNHQAYVDLDDLLY-UHFFFAOYSA-N 332.407 4.198 0 40 EIAB F[C@H](OC(F)(F)F)C(F)(F)Oc1ccc(Br)cc1 98210667 FFEGFMNLELAYCC-SSDOTTSWSA-N 339.029 4.253 0 40 EIAB CC(C)c1ccc([C@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)cc1 102243784 IHVKWPIKEXSOOF-GOSISDBHSA-N 333.391 4.143 0 40 EIAB C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 102606224 FDZKCQHNVWZCIJ-FTADXUQISA-N 345.442 4.172 0 40 EIAB Cc1nc(COc2ccccc2-c2nc(C3CCCCC3)no2)no1 193167045 XZHWRIOTRVFROH-UHFFFAOYSA-N 340.383 4.055 0 40 EIAB Cc1ccnc(N(Cc2ccc3c(c2)OCO3)C(=O)OC(C)(C)C)c1 199811298 JPOPMYFCLSARNL-UHFFFAOYSA-N 342.395 4.060 0 40 EIAB Cc1ccc(C(=O)Nc2cc(N3CCC[C@H](C)C3)c(C)cc2N)cc1 216867547 XUTXVSFZQBFEAI-HNNXBMFYSA-N 337.467 4.374 0 40 EIAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 216923039 CEHHDKYLLVLKES-UHFFFAOYSA-N 340.597 4.289 0 40 EIAB Cc1cc(C(=O)N2CCS[C@@H](c3ccccc3F)CC2)c(C)o1 219105491 JJLCXBACHXCFIW-QGZVFWFLSA-N 333.428 4.356 0 40 EIAB CCOc1ccccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219476719 GYJLLSJSUVNXBE-QGZVFWFLSA-N 347.505 4.467 0 40 EIAB CN(CCCNC(=O)CCc1cccc2ccccc12)c1ccccc1 222680828 MDWAJYVFPXUQBL-UHFFFAOYSA-N 346.474 4.415 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2ccccc2C1 224585719 IGONSTLIWPJLJC-JOCHJYFZSA-N 349.474 4.308 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)oc12 224915519 YUTNSMXPJFQEDW-UHFFFAOYSA-N 336.391 4.294 0 40 EIAB CCc1ccc(NC(=O)c2snnc2-c2ccc(OC)cc2)cc1 225761928 QVVVAYCIDDMXPP-UHFFFAOYSA-N 339.420 4.028 0 40 EIAB C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)CCC(F)(F)F 252481210 CIMLFMCIULDKCD-IJSAXESFSA-N 334.281 4.347 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@H](O)COCC[C@H]1C[C@H]2CC[C@H]1C2 252506116 QBRZVAUIHARCSG-VJANTYMQSA-N 337.548 4.233 0 40 EIAB O=C(CSCc1ccccc1)NCCCc1cc2ccccc2o1 575414188 LRRPYGRYNQUHPT-UHFFFAOYSA-N 339.460 4.415 0 40 EIAB O=C(Nc1ccccc1)Nc1cc(Br)cnc1Cl 166794 CYECHEVMNRNOIB-UHFFFAOYSA-N 326.581 4.142 0 40 EIAB COc1ccccc1NC(=O)Nc1c(SC)nsc1SC 180355 LRAWBROWRLBCOI-UHFFFAOYSA-N 341.483 4.240 0 40 EIAB Cc1c(O[C@H]2CCCCC2=O)ccc2c3c(c(=O)oc12)CCCCC3 531295 CGFFLJKRTWVWGG-IBGZPJMESA-N 340.419 4.261 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccccc1N1CCC(C)CC1 558433 DDBCQRPGFBMZMM-UHFFFAOYSA-N 338.451 4.492 0 40 EIAB O=C(Cc1cccs1)Nc1nc(-c2ccc(F)cc2F)cs1 1053487 SIMKKXJVSBSQPF-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB CCCCc1c(C)c2ccc(O[C@@H](CC)C(=O)OCC)cc2oc1=O 1833648 HATHUPRNLIEKML-KRWDZBQOSA-N 346.423 4.165 0 40 EIAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2 3360701 YPQMWOFQIHNEHS-UHFFFAOYSA-N 333.343 4.460 0 40 EIAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 3401304 OFEATLBSNHHRHS-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 3437758 NCYGAAWPXFHQRX-IBGZPJMESA-N 338.451 4.190 0 40 EIAB Cc1c(-c2cccc(NC(=O)c3ccccc3F)c2)nc2ncccn12 4033195 QZEVBYITBPNRTL-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB CCC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078211 FYZOMMUBHSEBKG-UHFFFAOYSA-N 347.387 4.198 0 40 EIAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1CCCCC1 4107369 SXHGZODTZKJJSW-UHFFFAOYSA-N 325.412 4.134 0 40 EIAB aggregator Cc1noc(C)c1CSc1nc(C2CC2)n(-c2ccccc2)n1 4935572 NXRZLYVNASVWAR-UHFFFAOYSA-N 326.425 4.042 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1 5248672 DMWSJYBZGKABPB-UHFFFAOYSA-N 335.403 4.183 0 40 EIAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl 6314027 QQYQSYDJJXCYCJ-CQSZACIVSA-N 349.883 4.329 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)COC(=O)/C=C/c1cccs1 6515793 GEXJHZHNDDYOHA-ZHACJKMWSA-N 343.448 4.241 0 40 EIAB COc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1C 7117262 QWCWMXVJAABEHH-CYBMUJFWSA-N 340.448 4.447 0 40 EIAB Cc1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1C 8715375 OFROJESECHUSEK-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CC(=O)NCCCCCc1nc2ccccc2n1CCc1ccccc1 9184775 SRZQEOKEJIURMX-UHFFFAOYSA-N 349.478 4.128 0 40 EIAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Cl 10365704 GFAGZTXFTLIZFL-UHFFFAOYSA-N 328.843 4.497 0 40 EIAB CC(C)c1nnc(NC(=O)c2ncoc2-c2ccc(Cl)cc2)s1 12144670 LQNKTRYBHBKSCR-UHFFFAOYSA-N 348.815 4.222 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn23)c1F 12390597 CNGODQKRLMGUQX-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB S=c1[nH]c(-c2ccccc2)nn1CN1CCC[C@@H]1c1ccccc1 12947561 WQUQDGXNHQBTLO-QGZVFWFLSA-N 336.464 4.402 0 40 EIAB Nc1nc(Nc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1 13573688 QTZBVQXMFYKLQT-UHFFFAOYSA-N 344.827 4.375 0 40 EIAB COc1ccccc1OCCNC(=O)c1ccc(-c2ccccc2)cc1 18075385 URHCMBZLELJBDJ-UHFFFAOYSA-N 347.414 4.171 0 40 EIAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1OC 19736735 BODINHZYVUDJBE-UONOGXRCSA-N 342.439 4.197 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(Cl)cc1 24875131 WAXKZMRYOLUGBG-UHFFFAOYSA-N 347.867 4.420 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)NCCCn2cccn2)c1C 30170539 YXUWUKHZEKYXNZ-UHFFFAOYSA-N 348.450 4.064 0 40 EIAB O=S(=O)(c1ccc(Cl)c2ccccc12)n1cnc2ccccc21 32603628 CWYNHESZLZTNGK-UHFFFAOYSA-N 342.807 4.080 0 40 EIAB COc1cccc(NC(=O)Nc2ncc(-c3ccccc3)s2)c1 33996900 PTECRYPEILTWRD-UHFFFAOYSA-N 325.393 4.463 0 40 EIAB O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1ccccc1F 36648307 XUMUFMFIVDMQBL-UHFFFAOYSA-N 345.370 4.374 0 40 EIAB O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(C(F)(F)F)cc1 36652062 MLGTYFKJKGNASZ-UHFFFAOYSA-N 339.317 4.388 0 40 EIAB Cc1csc(NC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)n1 56524911 OMYLYKFQOWFLLN-VIFPVBQESA-N 329.347 4.353 0 40 EIAB Cc1cccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 58068936 SINQJDLFIJYDJX-UHFFFAOYSA-N 349.400 4.121 0 40 EIAB CN(C)C(=O)c1cccc(CSc2nc3ccc(Cl)cc3o2)c1 58150566 QJJAZLVDJANSBA-UHFFFAOYSA-N 346.839 4.475 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC 59351174 WNYZSPYBAYGCOI-KXKDPZRNSA-N 339.435 4.211 0 40 EIAB COc1ccc(C)cc1CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1 72395791 VOXUOXBFGHMYCX-VQTJNVASSA-N 347.462 4.110 0 40 EIAB Fc1cc2c(c(CN3CCC[C@@H]3CCc3ccccc3)c1)OCOC2 84528473 KUSKJPXJSPZFEA-HXUWFJFHSA-N 341.426 4.289 0 40 EIAB CC(=O)Nc1cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(F)cc1F 84671079 GQNVUUGNERCHBU-BDJLRTHQSA-N 336.382 4.100 0 40 EIAB FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1 95601519 QRRJVIRIZGJWKM-UHFFFAOYSA-N 341.426 4.056 0 40 EIAB CCCCn1c(S[C@@H](C)C(F)(F)F)nc2ccccc2c1=O 95965215 AILUNWJIPHBBGX-JTQLQIEISA-N 330.375 4.240 0 40 EIAB Cc1cccc2c3nnc(S)nc3n(Cc3ccc(Cl)cc3)c12 96319330 GTSGZTQZVBQOTB-UHFFFAOYSA-N 340.839 4.278 0 40 EIAB COc1ccc([C@@H](C)Nc2ccc(CN3CCCC3=O)cc2)c(F)c1 97037296 FLYJACMUYIPLNY-CQSZACIVSA-N 342.414 4.130 0 40 EIAB Cc1nc(C[S@@](=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)oc1C 97083623 JWGYHGXDZOPSCD-RULNZOCKSA-N 347.358 4.200 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105411170 NWAJCNWYMSTERC-YIPIRIEHSA-N 348.284 4.403 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(OC)c1 113951631 WWELHCTWZROKQX-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 113956246 PSYDMRSSRIRJKY-SFHVURJKSA-N 347.842 4.213 0 40 EIAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1 214572212 DSTUSMPUPZSACW-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB O=C(CCc1ccccc1F)NCc1cncc(-c2ccsc2)c1 218813481 BHWJTPGUZQSFFC-UHFFFAOYSA-N 340.423 4.198 0 40 EIAB C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 222782013 BEQHRFUWNFFXBR-AWEZNQCLSA-N 329.415 4.379 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222839417 NQUPEMQBQBQTKZ-CQSZACIVSA-N 347.842 4.083 0 40 EIAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COCC(C)C 224740223 YPOCSMUYIPUBFW-UHFFFAOYSA-N 333.472 4.130 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1cccc(OC(C)C)c1 225037784 ITOMWQYZRAINNH-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB COc1ccc(C)cc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225118977 RWLOLRRYYYSVBD-INIZCTEOSA-N 336.840 4.445 0 40 EIAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 225400057 CKIDNHFZXYQZMC-CQSZACIVSA-N 339.435 4.246 0 40 EIAB CC(C)N(c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1)C(C)C 226323556 CNRIYIYOCYWCKV-IYBDPMFKSA-N 331.504 4.010 0 40 EIAB CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCNC2)n1 256050390 DVHJDESFFRFYRD-LBPRGKRZSA-N 335.835 4.036 0 40 EIAB Fc1ccc2c(C3CCN(c4nnc(C5CC5)s4)CC3)noc2c1 357607606 QCJKNNNSJVOOKQ-UHFFFAOYSA-N 344.415 4.080 0 40 EIAB COc1ccc2c(c1)CCc1sc(=Nc3ccccc3OC)[nH]c1-2 408884403 WZVQPYBSNIQSTC-UHFFFAOYSA-N 338.432 4.091 0 40 EIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCS[C@H]2CCCC[C@@H]21 503429570 QQCJMUONQZUWKE-QYZOEREBSA-N 345.508 4.081 0 40 EIAB CC(C)Cn1ncc(NC(=O)Nc2ccc(F)cc2F)c1C(F)F 536304715 GYEICQXFDQFNHV-UHFFFAOYSA-N 344.312 4.399 0 40 EIAB CCn1nncc1C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 556637564 AFYKYFOJNWWFFI-KRWDZBQOSA-N 346.862 4.003 0 40 EIAB Cc1nc2c(s1)[C@@H](N[C@@H](C)CCc1n[nH]c3ccccc13)CCC2 1657520234 OMYTVYGHGYVKJS-SJCJKPOMSA-N 340.496 4.316 0 40 EIAB CCc1cccc2c(CCNC(=O)c3ccccc3OC)c(C)[nH]c12 29000 PQEJFUBUHJLOSG-UHFFFAOYSA-N 336.435 4.020 0 40 EIAB biogenic,in-vitro O[C@@H](CN1CCCCC1)CN1c2ccccc2Sc2ccccc21 351089 UEDNDOCCDJZUAB-INIZCTEOSA-N 340.492 4.136 0 40 EIAB CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 427690 BSUNLLCMKZGFRQ-IUODEOHRSA-N 325.408 4.191 0 40 EIAB CC[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C(=O)OC)C1 483844 CFSCPMXYRXODTA-NSHDSACASA-N 347.436 4.203 0 40 EIAB CSc1nc(NCC(C)C)c2c3c(sc2n1)COC(C)(C)C3 536993 UUHJDRBJRLIAJN-UHFFFAOYSA-N 337.514 4.332 0 40 EIAB CCN(CC)CCN(CCN(CC)CC)c1ccc2ccccc2c1 1871859 LTRDRLSYYBEGLP-UHFFFAOYSA-N 341.543 4.330 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 2661829 QYOWFXVBLDGRSI-UHFFFAOYSA-N 331.371 4.186 0 40 EIAB CCCCCCc1c(C)c2ccc(OCC(=O)OCC)cc2oc1=O 4151889 HWDDLTIBGJHEIY-UHFFFAOYSA-N 346.423 4.166 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4783553 HQWPPVLSHLFTDY-SHTNYLHPSA-N 329.484 4.180 0 40 EIAB CC[C@@H](C)N[C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5476276 SYOCBNWEFSCYBH-BEFAXECRSA-N 349.430 4.495 0 40 EIAB Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 6300819 LWJORFUELOKRQJ-QGZVFWFLSA-N 341.480 4.252 0 40 EIAB COc1cc(C(C)=O)ccc1Oc1nc2cc(C)nn2c2ccccc12 7737793 HTHVZOVCTRXHBB-UHFFFAOYSA-N 347.374 4.194 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccccc2Br)N1C1CC1 7885893 RJSUXMLTAHOQEF-MRXNPFEDSA-N 343.224 4.178 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 9062992 JAKMEBBZFMQSJZ-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C3CCCCC3)cc21 9569381 ZQDYLKAZRAAIAW-UHFFFAOYSA-N 328.456 4.141 0 40 EIAB CCn1c(C)cc2cc(NC(=O)CCCn3nc(C)cc3C)ccc21 12148360 QXNHLLNPKCDTGC-UHFFFAOYSA-N 338.455 4.202 0 40 EIAB CC(C)c1c(C(=O)NC2CCCC2)cnn1-c1cccc(Cl)c1 12972672 ORILLKDFDBDHSJ-UHFFFAOYSA-N 331.847 4.322 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)cc1 13931709 BKICZWLGABXOHF-INIZCTEOSA-N 344.480 4.450 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1Cl 14428699 ROVALQVGIAUPHB-UHFFFAOYSA-N 345.855 4.266 0 40 EIAB CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 16089127 DVXHWXLWSVSSKU-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB COc1cccc(CNC(=O)N(C)Cc2ccc(C(C)C)cc2)c1 17070024 DNTANUTUNGMBNC-UHFFFAOYSA-N 326.440 4.160 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 20041395 KTOGBKZRYSOTDM-UZLBHIALSA-N 341.451 4.347 0 40 EIAB Cc1oc(C)c(C(=O)N[C@H](C)c2ccccc2Br)c1C 24352487 GCSOGXLIWVYVMT-SNVBAGLBSA-N 336.229 4.458 0 40 EIAB O=C1C[C@H](C(=O)Nc2ccccc2-c2cccs2)c2ccccc2N1 25002301 AAAFCGNWJFDCRS-HNNXBMFYSA-N 348.427 4.480 0 40 EIAB C[C@H](OC(=O)c1cc2ccc(F)cc2s1)C(=O)NC1CCCCC1 26222246 UFPAZZMERULRLM-NSHDSACASA-N 349.427 4.035 0 40 EIAB Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 27662751 QWZDJENVETUJRV-GOSISDBHSA-N 342.508 4.404 0 40 EIAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2F)c2ccccc2n1 27975642 DKLVEHRFSLJUGN-LBPRGKRZSA-N 342.345 4.227 0 40 EIAB Cc1occc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28574382 GJZGPQCBUSWMAY-UHFFFAOYSA-N 349.312 4.104 0 40 EIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NC(C3CC3)C3CC3)c12 30801327 ULQHXVJSZVRGAG-UHFFFAOYSA-N 347.418 4.117 0 40 EIAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 31734607 PZKHPXJOKITLCX-UHFFFAOYSA-N 342.782 4.040 0 40 EIAB O=C(OCCOc1ccccc1)c1cccnc1Oc1ccccc1 32666166 YXBPWEASELTNDF-UHFFFAOYSA-N 335.359 4.110 0 40 EIAB CCC[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 32795337 GMCUPJKJDFOZFN-RHSMWYFYSA-N 340.423 4.317 0 40 EIAB CCc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1 32930593 ZHVHLBFOSXNGFW-UHFFFAOYSA-N 346.430 4.153 0 40 EIAB c1ccc(-c2csc3ncnc(NCCNc4ccccn4)c23)cc1 36776150 PKKWYKZUKJKKAB-UHFFFAOYSA-N 347.447 4.277 0 40 EIAB O=C(Nc1ccc(Cl)cn1)c1cccnc1SCC(F)(F)F 37150786 SWHWRNHYPFHZFY-UHFFFAOYSA-N 347.749 4.037 0 40 EIAB Cc1ccccc1C[C@@H](C)NC(=O)c1cc2ccc(F)cc2nc1C 40155938 QHXJRIYWHQCTMU-CQSZACIVSA-N 336.410 4.352 0 40 EIAB CC(=O)c1cn(CCC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc12 40309929 LJMBHAYMDJQALT-UHFFFAOYSA-N 345.402 4.354 0 40 EIAB biogenic CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C(C)(C)C 48324827 DOTWKXVZMPPBSV-UHFFFAOYSA-N 345.462 4.433 0 40 EIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cc(Cl)c2c(c1)OCO2 49546895 VYOVAMFSGMLHAN-SNVBAGLBSA-N 347.802 4.144 0 40 EIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C)c(C)s1 49547756 MFXGWHPNHAXIHM-UHFFFAOYSA-N 346.481 4.212 0 40 EIAB CCCOc1c(Cl)cc(C(=O)N2CCCCC2)cc1OCC 50078388 VHQRKDKXYQFHEJ-UHFFFAOYSA-N 325.836 4.154 0 40 EIAB Cc1cc(CNc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)no1 57841828 WVPJUGTYRDLSAV-OKILXGFUSA-N 341.455 4.022 0 40 EIAB CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1cccc(O)c1 58193430 VMBXUXTWCWLRLW-CYBMUJFWSA-N 326.396 4.210 0 40 EIAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)C1CCCCCCC1 58392365 GVDQXRJMXXGYFK-UHFFFAOYSA-N 344.484 4.093 0 40 EIAB Fc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2)cc1 59201913 QTUZDQRFYDFJHL-WOJBJXKFSA-N 330.422 4.155 0 40 EIAB CCCCS[C@@H](C)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 69774020 ZQOVXFKVBOQLFL-OLZOCXBDSA-N 349.525 4.304 0 40 EIAB CCN(C(=O)Nc1ccc(F)c(F)c1F)[C@H](C)c1cccc(O)c1 69972904 DBFRODPZSPCMIO-SNVBAGLBSA-N 338.329 4.425 0 40 EIAB CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 71250541 FZQYTCPFYPQYKV-UHFFFAOYSA-N 344.499 4.300 0 40 EIAB CCn1nc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1C1CC1 75105719 XCCMWRNKDWLRIN-UHFFFAOYSA-N 338.864 4.159 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C 78912569 KMGDCBDJKGAFHV-ZBFHGGJFSA-N 325.412 4.222 0 40 EIAB COc1ccc(-n2ncc3c2N=C(O)CS[C@H]3CC(C)C)cc1 79478415 LYCHEJHEWQCILD-HNNXBMFYSA-N 331.441 4.303 0 40 EIAB Cc1cccc(Cl)c1NC(=O)CSCC(=O)c1ccccc1 80822629 PYIWMUBVIWRNAB-UHFFFAOYSA-N 333.840 4.203 0 40 EIAB CS(=O)(=O)Cc1ccc(Cl)cc1NCc1cc2ccccc2o1 89484371 BUKNSZHHHDRGII-UHFFFAOYSA-N 349.839 4.243 0 40 EIAB O=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 94657396 XXJVSGGHLIJBJN-UHFFFAOYSA-N 325.147 4.083 0 40 EIAB CC(C)c1nc2ccc(NCC(=O)Nc3ccccc3)cc2s1 95956012 IWGFBBQRUNRUDJ-UHFFFAOYSA-N 325.437 4.470 0 40 EIAB O=C(Cc1c(F)cccc1Cl)N(CCc1cccs1)C1CC1 96120303 XTHQWXZLIUQEEA-UHFFFAOYSA-N 337.847 4.317 0 40 EIAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN1CC1 118913465 YAZNTOPQJPATQT-QYLGYJGISA-N 331.544 4.466 0 40 EIAB O=C(Cc1ccccc1Cl)N(Cc1cccs1)C1CCOCC1 206674225 CTEJHQKZYXUWDY-UHFFFAOYSA-N 349.883 4.152 0 40 EIAB COc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(C)c3)c2N)cc1 225182157 ALWJKKNEINIREO-UHFFFAOYSA-N 347.340 4.457 0 40 EIAB CCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1 225305329 FHKODRQBKCOSLP-UHFFFAOYSA-N 345.870 4.420 0 40 EIAB CCOc1ccccc1NC(=S)N[C@@H](C)COc1ccc(C)cc1 225640019 ORBHQPJCDFOEIW-HNNXBMFYSA-N 344.480 4.148 0 40 EIAB O=C(NCc1cncc(-c2cccs2)c1)c1c(F)cccc1F 225666006 IPXGXGYCUVEFTA-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB Cc1cccnc1C(=O)N1CCC[C@@H](Cc2cncc3ccccc23)C1 257224007 DZXBSGCGUQEWBF-KRWDZBQOSA-N 345.446 4.033 0 40 EIAB Cc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1F 540858353 ICIUFULQBUNNEY-UHFFFAOYSA-N 346.365 4.325 0 40 EIAB Cc1ccc(Cl)c(OCC2(O)CCN(C3CCCCC3)CC2)c1 585280910 CIDKOFMRDIWUSO-UHFFFAOYSA-N 337.891 4.187 0 40 EIAB CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(NCc2cncs2)c1 1119643864 SYIADDYZTGYHRA-SUMWQHHRSA-N 329.469 4.016 0 40 EIAB O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2Nc2ccccc2CN1Cc1ccccc1 2037978323 PYRFCLUZVKQKEF-SQBLYHGDSA-N 332.447 4.056 0 40 EIAB CCOc1ccc(CN2CCC(N(C)Cc3ccccc3)CC2)cc1 207716 PSPQYQCAIXEOBG-UHFFFAOYSA-N 338.495 4.182 0 40 EIAB Cc1cccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)c1 427381 OCDDYYXMPDFFJI-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB O=C1c2ccccc2CCC12COC(c1ccc(Cl)cc1)OC2 1387886 ZNXCAMQCPITXQQ-UHFFFAOYSA-N 328.795 4.201 0 40 EIAB CCc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)OC)cc1 1397602 CWFFAHAOEXAHJR-KRWDZBQOSA-N 330.811 4.432 0 40 EIAB COc1cccc(NC(=O)Nc2nc(-c3ccccc3)cs2)c1 1514357 HYMFNKMYBMMGSL-UHFFFAOYSA-N 325.393 4.463 0 40 EIAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 1960580 OFWJHAOVBUXCKG-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCCCc1c(C)nn(-c2nnc3c4ccccc4n(CC)c3n2)c1C 2030944 YOHBRAYMFNPTAQ-UHFFFAOYSA-N 348.454 4.145 0 40 EIAB CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(N(C)C)cc1 2278127 ILQSIKUHHWRPJW-QGZVFWFLSA-N 343.404 4.282 0 40 EIAB CCSc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 2624312 CUCBCYKFIWFQRY-UHFFFAOYSA-N 325.437 4.363 0 40 EIAB Cc1ccc(O)c(C(=O)c2cnc3onc(-c4ccc(F)cc4)c3c2)c1 2631587 LKXYQRHBORZNNI-UHFFFAOYSA-N 348.333 4.274 0 40 EIAB Cc1c(Cc2ccccc2)[nH]c(=O)n1-c1ccc(Cl)c(Cl)c1 2657929 GOGCOLVLXNOBFR-UHFFFAOYSA-N 333.218 4.372 0 40 EIAB O=C(COC(=O)c1ccccc1O)c1ccc(C2CCCCC2)cc1 3281887 WOZIZJSDZVPVKQ-UHFFFAOYSA-N 338.403 4.480 0 40 EIAB CCN(CC(=O)Nc1ccccc1Br)C1CCCCC1 3289418 RWHWWCSTRFTGSN-UHFFFAOYSA-N 339.277 4.042 0 40 EIAB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c(C)c1 3359441 GICUMOMUHLQPMG-SFQUDFHCSA-N 327.387 4.397 0 40 EIAB O=C(NCc1ccco1)c1ccccc1OCc1ccc(Cl)cc1 3437416 ICLCAHWKKOENEJ-UHFFFAOYSA-N 341.794 4.442 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2C[C@H]1C 3536931 WAZCBQXRSYKZJA-CYBMUJFWSA-N 344.842 4.047 0 40 EIAB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 5036992 OWONWJCGRZVWEK-NSHDSACASA-N 342.782 4.005 0 40 EIAB CCn1cc(NC(=O)NCCc2ccc(OC)cc2)c2ccccc21 5266074 IRHGLVHUMBRIMW-UHFFFAOYSA-N 337.423 4.034 0 40 EIAB CC(C)Cn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 6537996 RGMIPNYGGWNXLO-UHFFFAOYSA-N 342.439 4.484 0 40 EIAB O=C(NC1CC1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 7085909 LNHANBUWBDPOGR-MRXNPFEDSA-N 336.218 4.392 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 7871769 PJQQVDAJTCUHQY-ZDUSSCGKSA-N 349.883 4.488 0 40 EIAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc2c(c1)CCC2 8165293 WRWFTSLLDABBCV-UHFFFAOYSA-N 349.478 4.216 0 40 EIAB COc1ccc2cc(C(=O)Nc3cccc(Cl)c3)c(C)nc2c1 10404776 LDGHTTAWBRDYFB-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB C[C@@H](c1ccccc1)N1CNC(=S)N(c2ccc(Cl)cc2)C1 12401908 NYJNMNQYERWFNZ-ZDUSSCGKSA-N 331.872 4.013 0 40 EIAB COc1ccc(Nc2ccc(NC(=O)CCc3cccnc3)cc2)cc1 12563686 UQIYJXRBQNJVKS-UHFFFAOYSA-N 347.418 4.405 0 40 EIAB COc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1O 12604683 TUDADWWUHUODCR-FQEVSTJZSA-N 343.386 4.390 0 40 EIAB Cc1c([C@H](C)NC(=O)C(C)C)cnn1-c1cccc(C(F)(F)F)c1 12913759 DANOWBQLUPYAGR-NSHDSACASA-N 339.361 4.033 0 40 EIAB CCn1c(Cc2cccs2)nnc1SCc1cccc(OC)c1 14112948 CWOGJOPOPXHFEO-UHFFFAOYSA-N 345.493 4.251 0 40 EIAB Cc1csc(NC(=O)Cc2sc(C)nc2-c2cccs2)n1 15840236 VDVXXUCIUSHKHF-UHFFFAOYSA-N 335.479 4.126 0 40 EIAB Cc1cc(Nc2ccc(C)c(F)c2)n2nc(-c3ccccc3)nc2n1 16346987 OZTWWLFVLWQQRI-UHFFFAOYSA-N 333.370 4.291 0 40 EIAB COc1ccccc1[C@H](C)NCc1cc(Br)cs1 20306327 WXEPGVLTZGNJQC-JTQLQIEISA-N 326.259 4.370 0 40 EIAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)cc1C 20467826 KJCCVISZEURGOD-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CCCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 20897354 WLQOBDCXDFSJFH-LBPRGKRZSA-N 330.453 4.309 0 40 EIAB S=c1n(-c2ccccc2)cnn1CN1CCC[C@@H]1c1cccs1 24106059 BQRBQXHGZMMRGW-OAHLLOKOSA-N 342.493 4.259 0 40 EIAB O=C(CSCc1cccc(Cl)c1)Nc1nc2c(s1)CCC2 25767942 AAKUZMJYWYRMGL-UHFFFAOYSA-N 338.885 4.157 0 40 EIAB COc1ccc(OC)c(CN(Cc2nc3ccccc3o2)C2CC2)c1 27604245 OHOLFJZJSHBCSI-UHFFFAOYSA-N 338.407 4.010 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)Nc2cccc(C)c2C)c1C 32809584 OTNHIRPXZZABFS-IAGOWNOFSA-N 336.435 4.134 0 40 EIAB Cc1ccc(O)cc1C1(c2cc(O)ccc2C)C(=O)Nc2ccccc21 36646376 UIXQWWSBOWQTCA-UHFFFAOYSA-N 345.398 4.001 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(OC)c2)cc1 38753445 AYFKLSOMFUNKOZ-IBGZPJMESA-N 327.424 4.221 0 40 EIAB CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(OC(F)F)c1 40120510 CKBNIRXXAWTNNY-UHFFFAOYSA-N 338.329 4.481 0 40 EIAB Cc1c([C@H](C)NC(=O)Nc2nnc(C3CC3)s2)oc2ccccc12 47347567 NRTJVQYWKACBAH-JTQLQIEISA-N 342.424 4.353 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2ccccc2o1 48332604 NGZCFKIVACFTMZ-UHFFFAOYSA-N 331.331 4.267 0 40 EIAB CCN(CC)Cc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)o1 56998803 CZFLWTJQELBIOX-KRWDZBQOSA-N 346.858 4.192 0 40 EIAB O=C(NO[C@H]1CCCCO1)c1cc2sc3ccccc3c2s1 58394165 HZKAFVYEVFFESL-AWEZNQCLSA-N 333.434 4.304 0 40 EIAB CC(C)(C)n1cc(NC(=O)Nc2ccccc2N2CCCCC2)cn1 62373641 GLXVFSJQBMPRID-UHFFFAOYSA-N 341.459 4.272 0 40 EIAB Cc1occc1C(=O)Nc1cc(NC(=O)N(C)CC(C)C)ccc1F 62389614 PITFKJGMGCKFGD-UHFFFAOYSA-N 347.390 4.099 0 40 EIAB Cc1ncc(CN(C)C(=O)/C=C(/c2ccccc2)C(F)(F)F)s1 69413934 FMHMWFGWJHOZKA-ZSOIEALJSA-N 340.370 4.056 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@H]1CC=CCC1 71884299 UEDDLANIOCCCNX-AWEZNQCLSA-N 340.448 4.224 0 40 EIAB C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1c1nccs1 72291658 HOFPJNAFQMAWES-XJKSGUPXSA-N 332.444 4.215 0 40 EIAB CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 95412383 FIDXWMYSENYFSC-UHFFFAOYSA-N 336.357 4.285 0 40 EIAB Cc1csc(CNc2cccc(COC[C@@H]3CCCCO3)c2)n1 95428557 LWZROLLGCVMLBC-KRWDZBQOSA-N 332.469 4.149 0 40 EIAB CCCCn1c(SCC(=O)c2c[nH]c3ncccc23)nc(C)c1C 95460220 NXHFFLTVJAOLNL-UHFFFAOYSA-N 342.468 4.151 0 40 EIAB CC(C)n1ccc2c(C(=O)Nc3ccc4c(c3)OCCO4)cccc21 95480787 XAPGWOFDLUUKPR-UHFFFAOYSA-N 336.391 4.246 0 40 EIAB COc1ccc(/C=C/c2ccc3cc(C(=O)O)ccc3n2)cc1OC 95972660 OQILHQSUTYODDG-XVNBXDOJSA-N 335.359 4.121 0 40 EIAB CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)CCSc2ccccc2)C1 107157856 GKVCLBCFBQHXGF-MSOLQXFVSA-N 348.556 4.042 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OCC 224695783 UQPGZPBSMFGTBH-UHFFFAOYSA-N 335.350 4.152 0 40 EIAB CCOc1ccccc1CCCNC(=O)Cc1ccc(Cl)cc1F 225080682 DEOBOGVROLGJKL-UHFFFAOYSA-N 349.833 4.169 0 40 EIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 225263739 PNZUHIQDYLHHGW-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2)c2cccnc12 225281861 YRRNUFZFCKVGLG-ZDUSSCGKSA-N 337.448 4.291 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NCCC2=CCCCC2)c(C)c1 225355165 VMVURQSOPDGVPS-UHFFFAOYSA-N 346.496 4.349 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cc(C)ccc1C 225580191 OVUNDYLFXGVATP-KRWDZBQOSA-N 333.545 4.244 0 40 EIAB COc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@H]2C 260619513 NFHFJVKTAIHABL-GFCCVEGCSA-N 329.396 4.279 0 40 EIAB O=C(c1cc(Br)cs1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 667413318 LFZBMICIYKRGKC-STQMWFEESA-N 338.270 4.368 0 40 EIAB O=C(NCCCc1ccccc1)NCc1cc(-c2ccco2)cs1 1775968393 FOOGCJQWFTWTCS-UHFFFAOYSA-N 340.448 4.440 0 40 EIAB Cc1cccc(NC(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775972704 RQJROOHMVMHSNS-UHFFFAOYSA-N 346.434 4.311 0 40 EIAB CCCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 200809 VCZKDHCIRNIXDH-ZDUSSCGKSA-N 325.387 4.076 0 40 EIAB Cc1ccc([C@H]2N(c3cccc(Cl)c3)C(=O)N3CCCN23)cc1 547269 KXKLSSBTIXVEBA-QGZVFWFLSA-N 327.815 4.210 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 1961932 IQXYPUNGIKLROG-UHFFFAOYSA-N 345.398 4.458 0 40 EIAB COc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1C 2080145 CYJLVGFPAYTTEL-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB COc1ccccc1NC(=O)Nc1nc(SC(C)(C)C)ns1 4898375 VMANIJCGDQORJA-UHFFFAOYSA-N 338.458 4.081 0 40 EIAB CCCCC(=O)N(CC)c1nnc(-c2ccc(OCC)cc2)s1 4982599 CEXABWAPDNXSIO-UHFFFAOYSA-N 333.457 4.147 0 40 EIAB CC(C)n1nccc1NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Cl 7039724 LVDXJGKVMLUZLH-SNVBAGLBSA-N 342.226 4.177 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3)s2)cs1 7820500 ZVMZLMBGLFAXFC-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)cc1F 7830466 RAFARIDUSJWUPF-FUEXJSSKSA-N 331.412 4.055 0 40 EIAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1 8367259 CFSPXCJWZWYGDB-UHFFFAOYSA-N 344.414 4.177 0 40 EIAB Cc1c(C(=O)NCCc2cccs2)n(C)c2ccc(Cl)cc12 9264123 UJOIPHFPRVPDNS-UHFFFAOYSA-N 332.856 4.174 0 40 EIAB COC(=O)c1c(C)cccc1NC(=O)c1cccc(C(F)(F)F)c1 11058144 ICHAYKBDDWXCTF-UHFFFAOYSA-N 337.297 4.053 0 40 EIAB C[C@H](NC(=O)c1ccc2c3c(cccc13)CC2)c1nc2ccccc2[nH]1 12538574 VHFAHDIGSJEKMQ-ZDUSSCGKSA-N 341.414 4.306 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)OCCCO2 12798887 KELNZVLCUPWFDJ-UHFFFAOYSA-N 325.408 4.225 0 40 EIAB c1ccc([C@H]2OC(c3ccco3)=Nc3cc4c(cc32)OCCO4)cc1 12854782 HDCFLCDERXUKSG-LJQANCHMSA-N 333.343 4.249 0 40 EIAB Cc1nc2cc(NC(=O)c3cc4ccc(F)cc4nc3C)ccc2o1 14183749 GZCKJAFJLUSBOQ-UHFFFAOYSA-N 335.338 4.384 0 40 EIAB C[C@H]1CCCN(Cn2nc(Nc3ccc(F)cc3)sc2=S)C1 14189393 JYGFZEMLAWVXKM-NSHDSACASA-N 338.477 4.246 0 40 EIAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 15581024 OSHGSOZFAQJANT-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB Nc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1Cl 20343844 NMMKXHWFNPAWBY-UHFFFAOYSA-N 345.613 4.247 0 40 EIAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC2CCCC2)c(C)c1 20983225 YUNNEHLKTZOSBR-HNNXBMFYSA-N 343.496 4.029 0 40 EIAB O=C(CSc1ccc2c(c1)CCC2)NCC1(c2ccccc2)CC1 21524508 BARDHMUHJZYLNP-UHFFFAOYSA-N 337.488 4.115 0 40 EIAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(C)c1OC 21596261 MKWMAZQWJZPEDY-UHFFFAOYSA-N 342.464 4.001 0 40 EIAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)N1CCCCCC1 21605490 LTBKSKRBVJXNNE-CYBMUJFWSA-N 347.459 4.099 0 40 EIAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cccc(C)c1 21787184 IYMTXBNUNNTYGB-HXUWFJFHSA-N 347.462 4.467 0 40 EIAB COc1ccc2c(CNc3cccc4c3CCCC4)cc(=O)oc2c1 25058893 IQAUZJJCTVDULV-UHFFFAOYSA-N 335.403 4.293 0 40 EIAB CCCCc1noc([C@H](C)Nc2cccc(N3CCCCC3=O)c2)n1 27048942 PKYXEFRENRTKAH-AWEZNQCLSA-N 342.443 4.102 0 40 EIAB COc1ncccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 40151172 OKKPQPKEOJRARN-HNNXBMFYSA-N 331.391 4.138 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40288401 LVBSGNGMJALERP-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 40817741 BBYHPZRCPSVUFM-KRWDZBQOSA-N 341.361 4.209 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 44947643 MQPATGIDJWKXKR-MRXNPFEDSA-N 341.451 4.292 0 40 EIAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccncc1 45050796 SZSMZCDANGTPLB-UHFFFAOYSA-N 348.471 4.221 0 40 EIAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1c1ccncc1 45120535 PYTCCWAXGYLIQH-MAUKXSAKSA-N 339.439 4.006 0 40 EIAB Cc1nc2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2nc1C 45258726 TXNUJOIAWATIBO-UHFFFAOYSA-N 337.448 4.113 0 40 EIAB FC(F)(F)c1ccccc1CN(Cc1nnsc1Cl)C1CC1 48251726 RZZBDSCDSGTWSW-UHFFFAOYSA-N 347.793 4.375 0 40 EIAB O=C(c1c(F)cccc1F)N1CCC(c2nc3ccccc3o2)CC1 49942199 DNUHZUZOZQDHOB-UHFFFAOYSA-N 342.345 4.126 0 40 EIAB COc1ccc([C@H]2C=C(c3ccc4ccccc4c3)NC(=S)N2)cc1 51329831 YMSAAHXCMQWYJH-LJQANCHMSA-N 346.455 4.408 0 40 EIAB Cn1ccnc1[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 58411548 SYEOGWZKYSPBJK-MRXNPFEDSA-N 340.496 4.053 0 40 EIAB CCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 59921488 YPWWBBLWIMMHFT-UHFFFAOYSA-N 340.398 4.157 0 40 EIAB COc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 62718901 YKLVGDJPTRGUPD-UHFFFAOYSA-N 337.423 4.453 0 40 EIAB Cc1occc1C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 64109356 OWLXNVSVOPHNDY-UHFFFAOYSA-N 344.411 4.207 0 40 EIAB Cc1noc([C@H](C)NC(=O)Nc2ccc(SC3CCCC3)cc2)n1 69588547 MRHJFDWHSOIJCS-NSHDSACASA-N 346.456 4.295 0 40 EIAB CC(C)CCSCC(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 69876846 RAAVZNHAXRFRES-CYBMUJFWSA-N 349.525 4.162 0 40 EIAB Cc1nc(CC(=O)Nc2cccc(N3CCCCCC3)c2)cs1 75145178 XTYBVHVKLBMRTJ-UHFFFAOYSA-N 329.469 4.013 0 40 EIAB COc1ccccc1SC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79440447 LYSPGNMXJSVXTI-CQSZACIVSA-N 337.485 4.434 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 89223446 VCCRMYAKJBZXMI-CYBMUJFWSA-N 330.350 4.127 0 40 EIAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2)SC1 95477836 ZWNOAXOKKFFNTE-MRXNPFEDSA-N 341.461 4.417 0 40 EIAB Cc1noc(Cc2ccccc2NC(=O)Nc2ccc(C)c(C)c2)n1 96097083 FSDVHKGASPLTDS-UHFFFAOYSA-N 336.395 4.230 0 40 EIAB CC(=O)N[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918365 LGGHTNIMFTVTOB-CHGXYLGDSA-N 345.527 4.061 0 40 EIAB CC[C@@H]1CCc2nc(NC(=O)c3cc(C(C)=O)cs3)sc2C1 170945163 TWOSSCRVRCLLGT-SNVBAGLBSA-N 334.466 4.174 0 40 EIAB C[S@@](=O)Cc1cc(NCc2ccc(F)c(F)c2)ccc1Cl 195559031 QTAGRARXCDBLLT-OAQYLSRUSA-N 329.799 4.109 0 40 EIAB CC[C@H]1CCCCN1c1nc(C)c2c(n1)C[C@@H](c1ccco1)CC2=O 216104600 OVIRSBSCAZKDNJ-CABCVRRESA-N 339.439 4.060 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 223424165 BLOPGWRINHPBSA-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(C(C)C)c1 224636322 WVKHJSWRKSLCNV-HNNXBMFYSA-N 341.517 4.313 0 40 EIAB COc1cccc(-c2nnsc2C(=O)NC2CCCCCCC2)c1 225768172 ANJHHAMLEVCESG-UHFFFAOYSA-N 345.468 4.056 0 40 EIAB Cc1cccc(NC(=O)c2snnc2-c2ccc(F)cc2)c1C 225777824 BVYWWOJQUDPOHC-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 245263831 BCRLLYGESUBULV-YIYPIFLZSA-N 332.469 4.249 0 40 EIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc2ccccc2c1 408714110 IWKQIUSCDSLUNY-UHFFFAOYSA-N 343.386 4.162 0 40 EIAB CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 539434394 AQLSBNNENCGICH-QZTJIDSGSA-N 348.402 4.026 0 40 EIAB Cn1cc(C(=O)OC(C)(C)C)nc1-c1cccc(C(F)(F)F)c1 596627066 UJKOQBPTGQVSHV-UHFFFAOYSA-N 326.318 4.061 0 40 EIAB O=C(Cc1ccccc1Cl)NC[C@H](c1ccsc1)c1ccco1 675007844 UNBGZEJTSFPGGX-OAHLLOKOSA-N 345.851 4.485 0 40 EIAB O=C(NCc1ccc(F)cc1)NCc1cc(-c2ccoc2)cs1 1775969920 RSNMJWUFXCBITF-UHFFFAOYSA-N 330.384 4.147 0 40 EIAB O=C(Nc1ccc(O)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 214273 GTKQKRXGKVNPCT-UHFFFAOYSA-N 335.407 4.454 0 40 EIAB COc1cc2[nH]c(=S)nc(NCc3ccc(F)cc3)c2cc1OC 429289 JYMCGTWXZJAMMJ-UHFFFAOYSA-N 345.399 4.061 0 40 EIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc2ccccc12 507495 FDGXCNNEAQNAGP-LJQANCHMSA-N 335.359 4.138 0 40 EIAB Cc1ccc([C@@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 524817 SCPISPPQCXWGRP-CYFREDJKSA-N 347.395 4.081 0 40 EIAB Cc1ccccc1NCc1nc2ccccc2c(=O)n1-c1ccccc1 549201 OXNWXVCEWYKNJI-UHFFFAOYSA-N 341.414 4.306 0 40 EIAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1 1255902 XDFHCKLJHHXIKP-UHFFFAOYSA-N 348.446 4.196 0 40 EIAB CCO[C@@H]1Nc2ccc(Br)cc2-c2ccccc2C1=O 1723098 LHBGIJMFYCHLPW-INIZCTEOSA-N 332.197 4.087 0 40 EIAB CCOC(=O)c1ccccc1C(=O)CCc1ccccc1SC 2516602 ZNOTZYHGDVVABR-UHFFFAOYSA-N 328.433 4.401 0 40 EIAB COc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 3446878 KMNPWYQHAWRFBO-UHFFFAOYSA-N 331.586 4.303 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12)OCCO3 3843743 FYVKKXPWOJKVKR-NIPLRTIXSA-N 334.500 4.133 0 40 EIAB Cc1c(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nc2ncccn12 4033196 LPFHSVLRCBLYOQ-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)s1 4242486 YLLWRHUFSUMSFR-UHFFFAOYSA-N 333.796 4.231 0 40 EIAB O[C@H](CN1CCC[C@H]2CCCC[C@@H]21)c1ccc(Br)cc1 4769328 PERIBZNZHZKQGE-XOKHGSTOSA-N 338.289 4.137 0 40 EIAB CCCCCNc1nc2sc3c(c2c2ncnn12)[C@H](C)CCC3 5561487 NMOXIKSCDXGLOX-LLVKDONJSA-N 329.473 4.381 0 40 EIAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1cccc2ccccc12 6642880 YZYOBPLGLHOZIZ-VAWYXSNFSA-N 349.361 4.174 0 40 EIAB Cc1ccc2c(CC(=O)NCCc3ccc(F)cc3)coc2c1C 8264097 XAFOYDQQUHJNMF-UHFFFAOYSA-N 325.383 4.090 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1ncnc2ccsc12 9384428 BJZXYGUYVDIEJV-UHFFFAOYSA-N 330.434 4.195 0 40 EIAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccnc1 10691883 GKIGJAYTOGXXHY-IBGZPJMESA-N 341.414 4.125 0 40 EIAB CSc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 10860474 BAFWKJCMNNIBPW-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 12795006 WYIPYXHMQMJBBM-AWEZNQCLSA-N 329.421 4.123 0 40 EIAB O=C(NCCCCOc1ccccc1)c1cccc(Br)c1 12818783 KXMLEGWQHSAOJH-UHFFFAOYSA-N 348.240 4.038 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(F)c1 12988750 IZDIXUMOJCARRR-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB COc1cccc(CCC(=O)Nc2nc3ccc(C)cc3s2)c1 13007479 CICPMBZWWVGGEQ-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB Cc1ccc2[nH]c(SCC(=O)N(CC(C)C)CC(C)C)nc2c1 13240904 XBLCCBFBYKCNDF-UHFFFAOYSA-N 333.501 4.104 0 40 EIAB C[C@@]12CC3CC(C(=O)Nc4ccc5c(c4)OCO5)(C1)C[C@](C)(C3)C2 13301034 GWYSHSDODZSNIY-GOSFSIBNSA-N 327.424 4.350 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(CC)cc2)c1C 13676103 XXBUWCCNKCPPFL-UHFFFAOYSA-N 339.435 4.305 0 40 EIAB Clc1ccc(-c2nnc3sc(Cc4ccccc4)nn23)cc1 13726979 ORDWPNTYCFXHLV-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB CCc1cccc(C)c1NC(=O)c1ncn(-c2ccc(Cl)cc2)n1 19910805 NUOYSDGCRNAFBM-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1csc2c1CCCC2 25144272 ATFTWFJHXJBMGS-GHMZBOCLSA-N 331.403 4.478 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccc(F)c(F)c1F 28210894 HGPBDXNZBRDHRS-UHFFFAOYSA-N 348.093 4.258 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCCC2)o1 28230315 UZDVOSVZIKXSSX-UHFFFAOYSA-N 332.831 4.480 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCc1ccccn1 29517428 COFICBXPDBMYHF-PKNBQFBNSA-N 338.407 4.279 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)nc1 30009477 WTGQQUJPJDAJHU-KGLIPLIRSA-N 327.428 4.043 0 40 EIAB Cc1cc(COC(=O)c2cc(-c3ccco3)nc3ccccc23)on1 32823689 JXDZHVUVFKGGFF-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB Cc1csc(NC(=O)CSc2nc3ccccc3cc2C)n1 35310693 FUGKXBBTZQJJJS-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB Cc1ccc(-n2nc3c(NCc4ccccc4)nnc(C)c3c2C)cc1 36646282 MAUIIIDTFJXBCN-UHFFFAOYSA-N 343.434 4.353 0 40 EIAB CCCCC[C@@H](C)NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 40107337 DFFLGGSEWGACLJ-OAHLLOKOSA-N 327.472 4.117 0 40 EIAB CCc1nnc(NC(=O)c2ccccc2N(C)c2ccccc2)s1 40119824 KOTGXKWNYHAHEU-UHFFFAOYSA-N 338.436 4.121 0 40 EIAB CC(C)Cc1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 44281729 SQHMPRMIOSGFRK-ZJUUUORDSA-N 335.395 4.044 0 40 EIAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 44848319 PQWLWFFFOAJEQR-DNVCBOLYSA-N 329.415 4.497 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 44933562 UJCMKFMTSROCTG-INIZCTEOSA-N 333.435 4.039 0 40 EIAB CN(C(=O)c1ccc2cc[nH]c2c1)[C@H](c1ccccc1)c1ccccn1 55419114 HBMLEBXGQLGATR-OAQYLSRUSA-N 341.414 4.425 0 40 EIAB O=[S@@](CCCOc1ccc(F)cc1)Cc1c(F)cccc1Cl 58130853 QKWSFBDKOBXROB-JOCHJYFZSA-N 344.810 4.336 0 40 EIAB O=C(Nc1cccc(OC2CCCC2)c1)C1=Cc2ccccc2OC1 58404077 GYDUAIPUTXBLCH-UHFFFAOYSA-N 335.403 4.423 0 40 EIAB Cc1nnc2ccc(C(=O)N[C@H](c3ccccc3)C3CCCCC3)cn12 58427013 DPJRICGDCPNWNV-HXUWFJFHSA-N 348.450 4.089 0 40 EIAB CCN(Cc1cnn(C)c1)c1nc(-c2ccccc2)nc2ccccc12 65945189 HTQSJLHNDQQLKD-UHFFFAOYSA-N 343.434 4.057 0 40 EIAB COc1ccc(CNc2nc(-c3ccncc3)cc3ncccc23)cc1 72391495 SOKNUSJOGCHYJC-UHFFFAOYSA-N 342.402 4.313 0 40 EIAB COc1ccc(CNCc2csc(C(C)C)n2)c(Cl)c1OC 78656930 GQGMPDVKPBJXHG-UHFFFAOYSA-N 340.876 4.227 0 40 EIAB COC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1F 78737194 MVDKIRAVKJQHCA-UHFFFAOYSA-N 340.713 4.049 0 40 EIAB O[C@H](CSCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 84522560 CTYMKXMWTMSEIZ-OAHLLOKOSA-N 346.839 4.357 0 40 EIAB CSc1cc(C(=O)NCc2nc(C)c(C)o2)c(Cl)cc1Cl 89558513 GBYJERMNFUWPHF-UHFFFAOYSA-N 345.251 4.250 0 40 EIAB Cc1cccc2c(C(F)(F)F)c(C(=O)O)c(Br)nc12 95101176 CBCHLPMTRCGZHN-UHFFFAOYSA-N 334.091 4.023 0 40 EIAB Cc1noc(C)c1CCCN[C@H]1CC2(CCC2)Oc2ccccc21 95423667 GVHQHCLLGYCFSL-SFHVURJKSA-N 326.440 4.260 0 40 EIAB CCOC(=O)CC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 95629286 FEIHGGPBTCQGNI-UHFFFAOYSA-N 339.476 4.147 0 40 EIAB C[C@H](Nc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccccc1 95958742 WJIVCNBAQMYMCP-INIZCTEOSA-N 343.430 4.458 0 40 EIAB CN(Cc1ccco1)[C@H]1CCC12CCN(Cc1cccs1)CC2 96051547 ILZKYFXQHSASMM-SFHVURJKSA-N 330.497 4.218 0 40 EIAB C[C@H](c1ccncc1)N(C)C(=O)Nc1cc(Cl)ccc1N(C)C 96413426 LXZXHASYRZYMQQ-GFCCVEGCSA-N 332.835 4.026 0 40 EIAB CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 97109097 XDHMCRBERCDHKE-KRWDZBQOSA-N 332.831 4.145 0 40 EIAB c1cncc(-c2n[nH]cc2CNCc2ccccc2OC2CCCC2)c1 97159258 SGRYIULCDLRGLB-UHFFFAOYSA-N 348.450 4.083 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1ccc(OC)cc1 222943382 AXEIOYTUMHXPKT-IBGZPJMESA-N 341.451 4.128 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c(C)c1 223719972 OJWZRULYMIXNCQ-UHFFFAOYSA-N 337.872 4.086 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224189437 YNJSGSBBFTWCGI-MRXNPFEDSA-N 341.451 4.419 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 225469322 GJDAGSDPAYGFNQ-AWEZNQCLSA-N 342.464 4.219 0 40 EIAB CC1(C)C[C@@H](NC(=S)Nc2cccc(F)c2)c2ccccc2O1 225576762 VIKSELBECVGNAN-OAHLLOKOSA-N 330.428 4.415 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2ccc(C)cc2C)c1 225756605 FOFLBSZPCJNSTA-UHFFFAOYSA-N 325.452 4.123 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(N)c1 226348066 GTIKZJOMXUUDOM-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB CCCN(CCC)C[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531599 DSDLSTPXWGGGJD-FTEYMNFISA-N 325.537 4.091 0 40 EIAB COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@H]2CC[C@H](O)CC2)cc1 557265930 JHRSBNTXFZNYMK-SFHLNBCPSA-N 343.442 4.011 0 40 EIAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Cl)c(Cl)c1 585319855 WXQBHXZMOGNBMQ-PBWFPOADSA-N 342.266 4.094 0 40 EIAB CCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 119082 ZKENJIDWQACMEP-UHFFFAOYSA-N 326.465 4.020 0 40 EIAB biogenic CC(C)(C)c1ccc(C2=NCC(=O)Nc3sc4c(c32)CCC4)cc1 419074 GFACIENSZQAQAR-UHFFFAOYSA-N 338.476 4.324 0 40 EIAB O=C(CSc1ccc(Cl)cc1)NC1C2CC3CC(C2)CC1C3 568769 JMOXBRVESLXBGL-UHFFFAOYSA-N 335.900 4.373 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]23C[C@@]2(C=C[C@H]2[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]23)C1 1730456 FUGNGPAKVKQMRY-VPAFNXHNSA-N 328.452 4.060 0 40 EIAB CCOC(=O)c1ccc(C(=O)CCc2cc(F)cc(Cl)c2)cc1 2517743 RZHYOSPUQUMDKV-UHFFFAOYSA-N 334.774 4.471 0 40 EIAB CCCCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 3147924 PIJDVBGANZWXJC-UHFFFAOYSA-N 333.453 4.365 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(Br)c1 3334525 HXQSWNZTRYNMHL-INIZCTEOSA-N 330.225 4.257 0 40 EIAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1Cl 3529730 SQWBNDFSODLCJT-QMMMGPOBSA-N 344.219 4.239 0 40 EIAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1Cl 4033022 ABZGVSQBYXCLKU-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ncnc3sccc23)c1 5299440 VQOQYPOVQVTGOG-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccccc1Cl)n2C 6202294 NKHNXXJVWQZUFT-HTXNQAPBSA-N 330.840 4.251 0 40 EIAB COc1ccc(CCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 6627049 HBCSZFKQWIMJKY-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB CCCCc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 6652823 ZQVLYXXFKTZUKW-UHFFFAOYSA-N 330.472 4.054 0 40 EIAB Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1Cl)S[C@H](C)C(=O)N2 6679371 CAYCNNAUTLTMPL-KRTXAFLBSA-N 342.251 4.188 0 40 EIAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6680528 YVHRNTSRPKXGDU-CQSZACIVSA-N 349.883 4.329 0 40 EIAB Cc1cc(Br)ccc1NC(=O)Cn1ccc2ccccc21 6714549 IFCSRWHEDVWSMI-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccccc2F)n1 6748061 UIJORGZSOYGQNG-UHFFFAOYSA-N 325.796 4.022 0 40 EIAB Cc1csc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)n1 6786150 NULAISVLZSCDJD-SNVBAGLBSA-N 325.437 4.310 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(N2CCCCC2)cc1 7505015 SSLDTWJFGUXNMF-GOSISDBHSA-N 336.479 4.428 0 40 EIAB O=C([C@@H]1CC=CCC1)N1CCC(c2nc3ccccc3s2)CC1 8037503 OKOOODLVOSHXCC-OAHLLOKOSA-N 326.465 4.359 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1C 8330605 RYCGFSGDNSILKC-AWEZNQCLSA-N 343.448 4.042 0 40 EIAB Cc1ccn2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc2n1 9572125 BAKUKIKHQPQZKF-UHFFFAOYSA-N 343.390 4.349 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1F 10340288 ZHEUHWPKKNWNKT-QGZVFWFLSA-N 332.806 4.255 0 40 EIAB COC(=O)c1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10360256 BIXLZYQDNJLFMI-UHFFFAOYSA-N 339.435 4.342 0 40 EIAB Cn1c(SCc2ccccn2)nnc1-c1ccc(C(C)(C)C)cc1 10533313 WVFSSYSJIAQVNI-UHFFFAOYSA-N 338.480 4.467 0 40 EIAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 11914145 HIVLAEKHOMVVTP-UHFFFAOYSA-N 337.379 4.168 0 40 EIAB Cc1cc2c(nc1C)sc1c(NCCCOC(C)C)ncnc12 12322544 YCMFCZXGFAGGCN-UHFFFAOYSA-N 330.457 4.083 0 40 EIAB COc1ccc(Cl)cc1NCc1cc2ccc(C)c(C)c2[nH]c1=O 12492976 ABDPOGFBMKFYCP-UHFFFAOYSA-N 342.826 4.419 0 40 EIAB C[C@@H](NC(=O)CSCCOc1ccc(Cl)cc1)c1ccccc1 13002638 CMXMEPMJRIJAPU-CQSZACIVSA-N 349.883 4.329 0 40 EIAB Cc1ccc2[nH]c(=O)c(COC(=O)c3ccc(C(C)(C)C)cc3)cc2c1 13768533 NMBUZIODPACBNJ-UHFFFAOYSA-N 349.430 4.491 0 40 EIAB CC(C)c1csc(NC(=O)c2ccccc2Br)n1 14250006 RCPMTDNZRXCLQF-UHFFFAOYSA-N 325.231 4.281 0 40 EIAB CCOC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CCC2 15356974 UHZUTZAYEOUVEA-QXMHVHEDSA-N 341.432 4.065 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 16109960 JKCAGFYTASBFNB-GDBMZVCRSA-N 347.867 4.241 0 40 EIAB Cc1ccccc1Nc1nc(Nc2ccccc2)nc2c1cnn2C 17136037 RKQYVACBKBZREO-UHFFFAOYSA-N 330.395 4.159 0 40 EIAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2ccccc2c1 20139105 AVDJQZNYORNRFZ-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)cc1 20632932 VNYLYZBMIAVXOW-INIZCTEOSA-N 332.403 4.102 0 40 EIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](c1ccccc1)C1CC1 22135015 ZGDXIOHEZQWZCW-LJQANCHMSA-N 348.450 4.202 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1c[nH]c2ccc(Cl)cc2c1=O 23118810 IGGWSNMZNAXZIJ-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1 24605900 YCPITEVZUJIAPE-OAHLLOKOSA-N 331.506 4.217 0 40 EIAB Cc1cccc2sc(NC(=O)c3ccn(C4CCCC4)n3)nc12 28304323 DOPZXGPAXCTITH-UHFFFAOYSA-N 326.425 4.169 0 40 EIAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1 30581903 LNSNOBAAEROSQB-WUXMJOGZSA-N 336.435 4.120 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 32777635 QLLGRFSREQQRPP-FHLIZLRMSA-N 334.891 4.172 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2cc(Cl)ccc2Cl)no1 34797616 OTADJPFTGHEXGG-UHFFFAOYSA-N 335.146 4.409 0 40 EIAB O=C(Nc1cccs1)N1CCC(Cn2cnc3ccccc32)CC1 38536069 SYOPRLIURVNVAB-UHFFFAOYSA-N 340.452 4.042 0 40 EIAB CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832255 YNRFFQIQGWXJBD-OLZOCXBDSA-N 343.298 4.120 0 40 EIAB O=C(NCc1ccc(Br)cc1)Nc1ccccc1Cl 44845536 LFVAWWITJBEOKH-UHFFFAOYSA-N 339.620 4.424 0 40 EIAB Cc1cc(Br)ccc1C(=O)N[C@@H]1CCOc2ccccc21 48227970 SVMDZJQJGNVTIQ-OAHLLOKOSA-N 346.224 4.011 0 40 EIAB CC(=O)Nc1cc(NC(=O)N[C@H]2CCCc3ccccc32)ccc1C 48363223 ALWISPQRYJDTTQ-SFHVURJKSA-N 337.423 4.153 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccc(F)cc1 54190888 VZVCWHOTAKFGAH-SVFBPWRDSA-N 346.405 4.230 0 40 EIAB COc1ccc(Cl)cc1[C@H](O)c1cccc(Br)c1 55201599 MRAHBGIGOJKXHC-CQSZACIVSA-N 327.605 4.193 0 40 EIAB O=C(NCc1ccccc1Cl)c1ccnc(Oc2ccccc2)c1 58158602 DHNSRLOCSOCLFI-UHFFFAOYSA-N 338.794 4.457 0 40 EIAB FC(F)(F)c1nc(N[C@H]2COc3ccccc32)c2ccccc2n1 58545113 DYCWEQJDGXQBFE-ZDUSSCGKSA-N 331.297 4.194 0 40 EIAB CCOC(=O)CCN(CC1CC1)C(=O)c1sc2ccccc2c1C 64382764 HNWYCDQOSTYNFY-UHFFFAOYSA-N 345.464 4.015 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215958 QWYFGDZDWQMCGB-LJQANCHMSA-N 335.451 4.049 0 40 EIAB c1cc([C@H]2CCCN2Cc2ccc3[nH]ccc3c2)nc(-n2ccnc2)c1 72355501 FCDMQUZWUBPCCO-HXUWFJFHSA-N 343.434 4.086 0 40 EIAB COc1cccc(-c2noc([C@@H]3CCN(CC4CCCCC4)C3)n2)c1 72369879 IMNJYMKFSXOLSF-QGZVFWFLSA-N 341.455 4.115 0 40 EIAB CSC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 95963044 CUDUDHBFLGTHPH-GHMZBOCLSA-N 332.296 4.308 0 40 EIAB Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c(C)c1 101275628 MJTKWXWRUZMGNE-MRXNPFEDSA-N 342.826 4.009 0 40 EIAB Cc1cc2c(cc1C)N[C@@H]1C(=O)[C@H](c3ccccc3Cl)OC1=N2 103963904 ZAXPPBWSPNFTPL-WBVHZDCISA-N 326.783 4.122 0 40 EIAB O=C(C[C@H]1CCCOC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 193377448 YDEFKMPHKBDWAX-CYBMUJFWSA-N 346.814 4.283 0 40 EIAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)c1ccccc1Cl 206683734 WLBCCHUBAQAUMQ-MRXNPFEDSA-N 347.823 4.006 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)cc1 219601850 ZCAVCTSOQHMMND-GOSISDBHSA-N 347.842 4.165 0 40 EIAB C[C@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)CCC2 223158484 NVWKSSHFUNHFHT-LBPRGKRZSA-N 344.252 4.429 0 40 EIAB O=C(COc1cccc2c1CCCC2)NC12CC3CC(CC(C3)C1)C2 223195413 AIKCSGNRXCZNRE-UHFFFAOYSA-N 339.479 4.029 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccc(Cl)cc2F)cc1 224469500 FEKMBXYKASVCBP-UHFFFAOYSA-N 335.806 4.240 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cn1 225662148 JOUNBOVALZSUHW-CQSZACIVSA-N 343.496 4.133 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccoc3)CCCC2)s1 225683155 DJNDGCPLJIDTGK-BTKRWWFXSA-N 345.464 4.036 0 40 EIAB COC(=O)c1ccc(CCc2ccccc2)n1Cc1ccc(F)cc1 226028985 DUESDESGEVJKAX-UHFFFAOYSA-N 337.394 4.247 0 40 EIAB Cc1noc(C)c1CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 272851757 OTDYHCUBBLTLRO-LJQANCHMSA-N 341.842 4.413 0 40 EIAB CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccccc21 408713282 RKMXUCHEFFWSOI-UHFFFAOYSA-N 334.419 4.397 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@H]1[C@H]2C 504462257 ABFSDSQOZYJGJO-MBYPGXQNSA-N 347.455 4.320 0 40 EIAB biogenic Fc1ccc2c(C3CCN(c4cnc5ccccc5n4)CC3)noc2c1 562236996 QJBCPHZIATZYCO-UHFFFAOYSA-N 348.381 4.294 0 40 EIAB COC(=O)CCCCC(=O)c1cccc(OCc2cccc(F)c2)c1 575357706 SXNKSKSOQVRBKL-UHFFFAOYSA-N 344.382 4.321 0 40 EIAB C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 575618179 SZIJQTVOYJRFLL-JRJUITNWSA-N 345.446 4.222 0 40 EIAB CCn1cc(CN2CCC[C@@H](c3nccs3)C2)c2ccccc21 2037846444 YFTMHNOQMYSUPS-OAHLLOKOSA-N 325.481 4.497 0 40 EIAB Cc1ccnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 304198 TURJTHAFRWQHSB-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB CC(C)(Sc1ccc(Cl)cc1)C(=O)OCCN1CCCCC1 1610201 QUNASPIETMMPBD-UHFFFAOYSA-N 341.904 4.240 0 40 EIAB COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 2132471 WSCCZHJZVDZUSC-YYTZKGGKSA-N 344.451 4.164 0 40 EIAB Cc1cc(CCCCCCCCc2cc(C)cc(=O)o2)oc(=O)c1 2170423 JMYOBTNXOWPLHZ-UHFFFAOYSA-N 330.424 4.336 0 40 EIAB CC(C)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3267270 LBAGRVFJVGOCRG-UHFFFAOYSA-N 346.402 4.412 0 40 EIAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1cccs1 3271644 WZZQPZMRIPADJN-UHFFFAOYSA-N 329.446 4.140 0 40 EIAB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccnc1 4710426 FYBBEQAPGIJKQL-UHFFFAOYSA-N 333.778 4.101 0 40 EIAB Cc1ccc(OC(=O)c2ccccc2F)c(-n2nc3ccccc3n2)c1 5002865 CXDFVTBPZRIHGI-UHFFFAOYSA-N 347.349 4.087 0 40 EIAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)c(C)c1 5032045 SMEUQHDRDLRIHR-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB Cc1cc(C)c(NC(=O)c2cncc(Br)c2)c(Cl)c1 5749615 OZZBCDDKGPBMLQ-UHFFFAOYSA-N 339.620 4.367 0 40 EIAB Cc1ccc2nc(S[C@@H](C)C(=O)N(C)c3ccccc3)[nH]c2c1 6025359 JDYRWSPYXBFQBX-ZDUSSCGKSA-N 325.437 4.015 0 40 EIAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1 7580362 AJFIBWJZCLGBKS-UHFFFAOYSA-N 340.448 4.290 0 40 EIAB O=C(c1cccc(OCc2ccccc2)c1)N1CCc2ccccc21 7668560 GMPVBWQGEOTZIK-UHFFFAOYSA-N 329.399 4.469 0 40 EIAB O=C(COc1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1 7723898 UCQDVLINMZDJDE-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB Cc1nc(Oc2cccc[n+]2[O-])c2c(-c3ccccc3)csc2n1 8063589 DHMJYHWRNQYDRE-UHFFFAOYSA-N 335.388 4.092 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2C)c1 10440816 ILAFLWGBKDNLDZ-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CC(C)[C@@H](NC(=O)CN(C)[C@@H](C)c1ccccc1)c1cccs1 11289260 HSSZUDBDTGUJAR-HNAYVOBHSA-N 330.497 4.254 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl 11427033 WRJIUWJEHAVMGF-UHFFFAOYSA-N 346.839 4.335 0 40 EIAB CC(C)c1nccn1-c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 12401762 XOQJQKIRZUWTFI-UHFFFAOYSA-N 348.450 4.314 0 40 EIAB Clc1ccc([C@H]2C[C@@H](c3ccco3)n3ncnc3N2)cc1Cl 12469107 WWHJTHRTEUEZHH-OLZOCXBDSA-N 335.194 4.324 0 40 EIAB COc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1 12481919 MPCYMWBLAGJBNJ-UHFFFAOYSA-N 338.458 4.081 0 40 EIAB Nc1c(-c2ccccc2)c(=O)c2ccccc2n1Cc1ccccc1 12618845 CYDGRRJSMTUCMP-UHFFFAOYSA-N 326.399 4.299 0 40 EIAB Cc1ccccc1OCCN(C)C(=O)/C=C/c1cc2ccccc2o1 12918539 AEABTODLFITCSG-VAWYXSNFSA-N 335.403 4.292 0 40 EIAB Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13036278 LXJBSTJNXNZNNS-TZIWHRDSSA-N 343.386 4.030 0 40 EIAB Cc1cccc(Cc2c(C)[nH]c3c(-c4ccccc4)c(C)nn3c2=O)c1 13828476 DQSALGYXSBMZSC-UHFFFAOYSA-N 343.430 4.206 0 40 EIAB Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)no1 14140166 VWJWZIUSTLUQII-UHFFFAOYSA-N 349.799 4.022 0 40 EIAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1C 15801822 WKGXZEWVUNZIRV-LBPRGKRZSA-N 349.789 4.280 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 16780522 HCVTZZOECXSSPG-ZNLUXHQJSA-N 339.479 4.262 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(F)cc2)on1 19120907 ZNYHDMBAQQCHBT-KRWDZBQOSA-N 340.402 4.239 0 40 EIAB CCCn1ncc(C(=O)Nc2cc(C(C)C)c(OC)cc2C)c1C 19525903 SKXHBMYFEJPKJH-UHFFFAOYSA-N 329.444 4.294 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)CCc1ccccc1 20043365 HJUZHVYGXNZSQD-HKUYNNGSSA-N 325.452 4.290 0 40 EIAB COc1cccc(Nc2ncccc2C(=O)Nc2cccc(F)c2)c1 22072193 MPDWGCRLUDTDBJ-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB O=C(OCc1ccccc1)N1CCN[C@@H](c2ccc3ccccc3c2)C1 22115401 DCPWXMLNFIRAEC-OAQYLSRUSA-N 346.430 4.123 0 40 EIAB Cc1ccc(NC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1C 23125463 KEJQFINPGXMOMC-UHFFFAOYSA-N 341.802 4.071 0 40 EIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 23125557 ZDLUDIFSHFJNKS-UHFFFAOYSA-N 341.802 4.071 0 40 EIAB Cc1sc2nc([C@H](C)Nc3ccc4c(c3)CCC4)[nH]c(=O)c2c1C 23865867 NGLAHAUKHLINAC-NSHDSACASA-N 339.464 4.263 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccc(F)cc1 27662740 UWDFFFFXPJUQKD-QGZVFWFLSA-N 346.471 4.234 0 40 EIAB Fc1cccc(Cl)c1Cn1c(CN2CCCC2)nc2ccccc21 27757704 NMJNTDUYWVJDLX-UHFFFAOYSA-N 343.833 4.473 0 40 EIAB C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Cl 28735211 AUUPYJVQDCQEAC-HNNXBMFYSA-N 342.870 4.427 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cnn(-c2ccccc2)c1 32747797 BMEHAOMQHNOJCC-UHFFFAOYSA-N 349.434 4.431 0 40 EIAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC 32796214 USWDQSPUIBZBEK-MRXNPFEDSA-N 345.826 4.335 0 40 EIAB C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 32827576 ZCTITGWISOCZMR-ZDUSSCGKSA-N 341.842 4.416 0 40 EIAB COc1ccc(Sc2ccccc2C[C@@H](C)N(C)C)cc1OC 33895881 GACPGDCZXXWKFP-CQSZACIVSA-N 331.481 4.348 0 40 EIAB CCOc1ccc(CNCCc2c(C)[nH]c3ccc(F)cc23)cc1 36657751 SKMSEOMHFKFSRF-UHFFFAOYSA-N 326.415 4.346 0 40 EIAB Cc1ccc2cccc(NC(=O)c3ccc(Br)o3)c2n1 37866255 PILPZUFXYCXLAR-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB C[C@@H](c1ccccc1Cl)N(C)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 45442810 MEKKQDKWUFUSQE-RDGKXADDSA-N 333.859 4.255 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Cl)cc1F 48202218 PAKSHBGCRZHKMQ-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB Cc1nn(C)c2c1[C@H](c1ccccc1OCC(C)C)SCC(O)=N2 49547582 AAFYUQHEEZBSJZ-KRWDZBQOSA-N 345.468 4.188 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1F 57412367 NPKQWNXVBXHSAY-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB O=C(c1ccc(-c2cnco2)cc1)N(C[C@@H]1CCOC1)c1ccccc1 58383257 UWRAZGUGHLWZHI-INIZCTEOSA-N 348.402 4.025 0 40 EIAB Cc1noc(C)c1CNc1ccc(OC(F)F)cc1OC(F)F 65588102 ZKAYFLGRLQSOFO-UHFFFAOYSA-N 334.269 4.106 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2=O)C(=O)c1ccc(F)cc1F 68182789 SFDSFEJFNOCEBB-NSHDSACASA-N 330.330 4.134 0 40 EIAB CCSc1ccc(Cl)cc1NC(=O)c1c[nH]c(=O)c(Cl)c1 69584007 LMBOKRCDIXXDQL-UHFFFAOYSA-N 343.235 4.046 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCCC[C@@H]1c1nccs1 72295643 JPGNXSCXHLUVHX-UMVBOHGHSA-N 348.418 4.279 0 40 EIAB c1csc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)c1 80346490 YQMCGVPIADKDMD-UHFFFAOYSA-N 342.493 4.382 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cn1 84622039 VMKMMTVCSUESRQ-UHFFFAOYSA-N 325.195 4.428 0 40 EIAB COc1ccccc1N/C=C1/Sc2cc(Cl)ccc2NC1=O 100296185 ITYFHHUQFCMESC-OQLLNIDSSA-N 332.812 4.346 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104811123 YUZFMXQYJUTJQR-HPZZRFSDSA-N 333.859 4.244 0 40 EIAB CC(=O)OC[C@]12CO[C@@H](CCc3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105363860 FVFIDPRIGRPKRH-OHJZQYHNSA-N 342.479 4.416 0 40 EIAB biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C1N=N1 118924250 IEVSFXLZSHRGPR-NRYGDNMDSA-N 342.483 4.287 0 40 EIAB CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1Cl 131090811 HFHWROYXESHGOJ-CQSZACIVSA-N 340.757 4.127 0 40 EIAB CCc1onc(C)c1NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 156220127 XZVYMNCZQGIAAQ-UHFFFAOYSA-N 340.383 4.461 0 40 EIAB COc1ccc(CCCNC(=O)CCSCc2ccccc2)cc1 218994881 JVTYOYAWQXOKJJ-UHFFFAOYSA-N 343.492 4.068 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219360588 KLMIXTNHNWXCMG-UZLBHIALSA-N 341.451 4.347 0 40 EIAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@H](c2ccco2)CC1 219366247 DAGVHXBMWXTDFG-KRWDZBQOSA-N 326.421 4.081 0 40 EIAB Cc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1C 222819592 WOWRHLYGEINSQE-QGZVFWFLSA-N 339.435 4.101 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2F)c1 224162698 FBFYBJFQDJMKHA-UHFFFAOYSA-N 335.762 4.217 0 40 EIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 225263933 BBJZDODZDOSVCM-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB CCOc1ccccc1NC(=S)N[C@H](C)COc1ccc(C)cc1 225640042 ORBHQPJCDFOEIW-OAHLLOKOSA-N 344.480 4.148 0 40 EIAB O=C(NCc1cncc(-c2cccs2)c1)c1cc2ccccc2o1 225663681 XLGNJXFIOKEPJW-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1ccnc(OCC2CC2)c1 239846381 LCVHUJFANWMOCU-UHFFFAOYSA-N 337.206 4.430 0 40 EIAB Cc1noc(C)c1-c1cccc(C(=O)N(Cc2ccccc2)C(C)C)n1 257258466 KUAQHOIKEJXZJG-UHFFFAOYSA-N 349.434 4.404 0 40 EIAB Cc1ncsc1CN1CCC(C)(c2nc(C)n3ccsc23)CC1 257301327 RXYWPFMJJRLVEJ-UHFFFAOYSA-N 346.525 4.023 0 40 EIAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(Cl)cn1 524733063 PVKMYGPSWHVMLF-CQSZACIVSA-N 331.828 4.216 0 40 EIAB CCN(Cc1c(F)cccc1F)C(=O)NC1CCC(F)(F)CC1 536452498 BXHWBJYTVVWOOY-UHFFFAOYSA-N 332.341 4.074 0 40 EIAB CCc1nn(C)cc1N[C@@H](CC)c1ccc(OC(F)(F)F)cc1 556880766 TVAGYNBYLUZMLL-ZDUSSCGKSA-N 327.350 4.444 0 40 EIAB C[C@H]1C[C@H](N2CCCC2)CN1c1nc(-c2ccc(F)cc2)cs1 557737219 QMLQDWXMOAKBMF-BBRMVZONSA-N 331.460 4.012 0 40 EIAB CCC1=C[C@@H]2C[C]3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@H]31 1560411733 JYJARIGEDGSRSS-OEVHLYDDSA-N 334.439 4.476 0 40 EIAB Cc1ccc(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 45764 ABXQXQCDLUBPMA-UHFFFAOYSA-N 337.423 4.265 0 40 EIAB O=C(Cc1cccs1)OCC(=O)c1ccc(-c2ccccc2)cc1 309564 INQXNUUFYYPOIC-UHFFFAOYSA-N 336.412 4.384 0 40 EIAB Cc1cc2nnc(SCC(=O)c3ccccc3)n2c2ccccc12 351516 YBLBHJZVTFSZSY-UHFFFAOYSA-N 333.416 4.166 0 40 EIAB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc(O)c1 507489 OACLREPQKGGQNB-UHFFFAOYSA-N 348.789 4.412 0 40 EIAB COc1ccc(NC(=O)c2cc3ccccc3o2)cc1Br 570560 PTYVWPREWOUNAW-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB CCN(CC)CCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1O 1683567 XJJVCIDOVNYAHY-UHFFFAOYSA-N 347.842 4.211 0 40 EIAB O=c1c2[nH]c3cccc(Cl)c3c2ncn1CCC1=CCCCC1 2450231 RGICYEANKHTRMN-UHFFFAOYSA-N 327.815 4.422 0 40 EIAB CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)cc3s2)cc1 2524879 IMFDWSXWQJFLLZ-UHFFFAOYSA-N 326.373 4.419 0 40 EIAB Cc1ccccc1NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 2532776 JXRQJVGSWKACLM-UHFFFAOYSA-N 343.858 4.311 0 40 EIAB CC(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3217376 UXSLTNQVKHVKME-UHFFFAOYSA-N 339.464 4.377 0 40 EIAB COC(=O)c1ccc(COC(=O)c2ccc(Cl)cc2Cl)cc1 3334878 IHOVMULYHPAQEY-UHFFFAOYSA-N 339.174 4.137 0 40 EIAB Clc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3444224 BCLBCJGSLCVOKO-UHFFFAOYSA-N 346.795 4.411 0 40 EIAB COc1ccc(CCNC(=O)CCSc2ccc(Cl)cc2)cc1 3517622 WVQOFCPBHXIQRB-UHFFFAOYSA-N 349.883 4.190 0 40 EIAB CCOC(=O)C[C@@H](NC(=O)c1cccc(C)c1)c1ccccc1Cl 3622650 CFAYWWVIQWWBHW-QGZVFWFLSA-N 345.826 4.073 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccc(Br)cc1F 4070180 UIORYTSFJOEIMV-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB CC[C@H](C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079417 ZQHWPIUUVOLMER-ZETCQYMHSA-N 345.852 4.474 0 40 EIAB Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(/C=C\C(=O)O)c1 4557914 QVKIOAOYTMVPNK-HJWRWDBZSA-N 327.380 4.236 0 40 EIAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 4854194 XDRTUJVASRWYKM-FQEVSTJZSA-N 347.418 4.134 0 40 EIAB Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccs2)c1 4854573 ABDYGHOVGSYLMM-GOSISDBHSA-N 337.448 4.495 0 40 EIAB Fc1ccccc1CSc1nnc2ccc(-c3ccccc3)nn12 5167174 LLIDHNPTUFZIIE-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB CSc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 5211572 GMVZVTXRPGQZHX-VIFPVBQESA-N 349.506 4.413 0 40 EIAB COc1cc(OC)c(NC(=O)c2cc3ccccc3o2)cc1Cl 5617119 KMGNBNARIVYNSV-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(Cl)cc3)oc2c1C 6811345 OJXLBYFDULPOQI-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCCc1ccc(C(=O)CCC(=O)NCc2ccccc2F)cc1 6847113 SQXUWTLFIPUGEQ-UHFFFAOYSA-N 327.399 4.058 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 6886156 JPMDUAYADMOFFH-UHFFFAOYSA-N 338.310 4.447 0 40 EIAB Cc1cc(C)c(NC(=O)CCCOC(=O)c2cccs2)c(C)c1 7166617 ORCHRXQOYLFGIK-UHFFFAOYSA-N 331.437 4.249 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1cc(Br)ccc1F 7970793 SJNWMUOWBODXDA-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccn1 8053985 IBIABEILFVRRRL-AWEZNQCLSA-N 327.391 4.260 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)on1 8392780 CREAGJLBBIMPMT-UHFFFAOYSA-N 339.420 4.238 0 40 EIAB COc1ccccc1CCC(=O)Nc1ccc(-c2nccs2)cc1 8988307 PQJLBVFCXOSRAI-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB Cc1ccc(CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c(C)c1 9956168 LTUMKRODIRQKII-UHFFFAOYSA-N 332.447 4.302 0 40 EIAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10542503 FELABKNSNXLWNI-HNNXBMFYSA-N 341.451 4.190 0 40 EIAB CC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 11922051 QNCOLHYQLJCCON-INIZCTEOSA-N 333.435 4.127 0 40 EIAB CSc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 12604044 ITULZSMKVKZBLT-UHFFFAOYSA-N 339.464 4.200 0 40 EIAB CCN(CC)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12741814 HSYRFIFIMJBJBC-UHFFFAOYSA-N 343.814 4.268 0 40 EIAB Cn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc21 12761488 OTRMTZJIBLXRJP-UHFFFAOYSA-N 332.325 4.127 0 40 EIAB COc1cc(OC)c(NC(=O)C[C@H](C)c2ccccc2)cc1Cl 12774612 ITDNCWIXXSJWIE-LBPRGKRZSA-N 333.815 4.490 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)c1cccs1 12777319 XNJQOYRDEXJOMH-LLVKDONJSA-N 343.427 4.181 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 12894086 QOGGKWGSUIGYOZ-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB C[C@H]1CN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@@H](C)O1 13071076 MDZVDOLYUVELRM-MRUHUIDDSA-N 348.446 4.201 0 40 EIAB O=C1Cc2cc(-c3csc(NCCc4cccs4)n3)ccc2N1 14103860 DLCYMQKKRJLLQW-UHFFFAOYSA-N 341.461 4.021 0 40 EIAB Cc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 14715888 DFYZNCXCDMPDKR-UHFFFAOYSA-N 327.793 4.106 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1 14796933 LLRUVKLZUOODLY-UHFFFAOYSA-N 345.324 4.159 0 40 EIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cccc(F)c1 15397884 OQXUPRQDSLJCQJ-UHFFFAOYSA-N 341.407 4.221 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1F 15709411 BAKBVKXIIOIRPP-JTQLQIEISA-N 325.742 4.333 0 40 EIAB Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1C 17071789 ARXDIUIVUCGUCK-UHFFFAOYSA-N 343.858 4.311 0 40 EIAB Cc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 17072074 ZIOQAUXNKHFRPT-VAWYXSNFSA-N 346.386 4.492 0 40 EIAB COc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 17120475 XVWNSYQEWOKHIJ-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB Nc1cc(Br)ccc1NC(=O)c1cccc2ccccc12 20520879 YCSXWHJDNIHRTD-UHFFFAOYSA-N 341.208 4.437 0 40 EIAB Cc1cccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)c1 21873357 NTKHPDWZDJIMKK-UHFFFAOYSA-N 330.395 4.159 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2ccnc2)cc1 21920920 GBURBXCGVWULOU-GFCCVEGCSA-N 343.789 4.156 0 40 EIAB O=C(NC1CCCCCC1)c1csc(COc2ccc(F)cc2)n1 24777697 PSWZBDQYXJDTHT-UHFFFAOYSA-N 348.443 4.314 0 40 EIAB Cc1ccccc1Cn1cc(NC(=O)c2ccc(OC(C)C)cc2)cn1 27920456 YOIVNQABOFBSBN-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)[C@H]1C[C@@H]1c1ccccc1 28241813 YXFOTMPWWXBDAU-MSOLQXFVSA-N 337.810 4.268 0 40 EIAB O=C(COc1cccc2cccnc12)Nc1ccccc1C(F)(F)F 32604861 IRERZKJPONSNPC-UHFFFAOYSA-N 346.308 4.271 0 40 EIAB Cc1cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c(C)o1 36662363 LHDZJEQLGZAALB-UHFFFAOYSA-N 330.771 4.135 0 40 EIAB CCCCNC(=S)NCc1ccccc1COCc1ccccc1 36847819 STZVMKIQWDZIQZ-UHFFFAOYSA-N 342.508 4.168 0 40 EIAB COC(=O)c1cc(OCc2ccccc2Cl)c2ccccc2n1 38486567 PIYUSWGTBGNOIU-UHFFFAOYSA-N 327.767 4.254 0 40 EIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC(C)C 38756922 JNCJFEGJBZEZFH-HNNXBMFYSA-N 329.893 4.142 0 40 EIAB Cc1ccc([C@@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1 40024475 LYYWAIRWWBAGOE-OAQYLSRUSA-N 347.414 4.291 0 40 EIAB CN1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 40157077 PJQWGZSONQAFJJ-AWEZNQCLSA-N 348.368 4.059 0 40 EIAB Cc1ccnc(NC(=O)c2ccccc2SCc2cc(C)no2)c1 41817594 BCJSKFANBBYQQN-UHFFFAOYSA-N 339.420 4.231 0 40 EIAB O=C(CCCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 47073678 CJIWOOVLZZMZCR-IBGZPJMESA-N 333.435 4.249 0 40 EIAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1occc1-c1ccccc1 48265478 SPAUBSLOPUZWQW-CRAIPNDOSA-N 327.424 4.272 0 40 EIAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1 63848822 HGKZYXHQKWXTOD-UHFFFAOYSA-N 329.446 4.240 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1ccccc1O 69348390 IDBNVWQXQFPZRE-UHFFFAOYSA-N 338.234 4.290 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2ccsc2)c1 71862718 YDNPDUOBUGOADB-CQSZACIVSA-N 330.453 4.305 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 72300317 ZVVPPADEEGCLSX-CYBMUJFWSA-N 346.500 4.133 0 40 EIAB Cc1noc(C)c1CS[C@@H](C(=O)N1CCCCC1)c1ccccc1 72751098 UVGHXLAMGTYCCD-GOSISDBHSA-N 344.480 4.278 0 40 EIAB Cc1nc(CN(C(=O)[C@@H]2CCCS2)c2ccc(F)cc2)cs1 74245254 QKWIGEVYDXINBS-HNNXBMFYSA-N 336.457 4.019 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)N(Cc1cccnc1)Cc1ccco1 95977162 ICZDWQUTYOIBPY-UHFFFAOYSA-N 343.333 4.187 0 40 EIAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96146500 XFHNJXBIRCNIJP-UHFFFAOYSA-N 337.467 4.415 0 40 EIAB CC(=O)N1CCc2cc(N[C@@H](C)c3ncc(-c4ccccc4)o3)ccc21 96436829 DSKXTHOLVISDCV-AWEZNQCLSA-N 347.418 4.424 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ncc(Cl)cc1Cl)CC2=O 100749124 RMRHPJUQWQEFAC-HZPDHXFCSA-N 341.238 4.112 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)cc1F 138835462 ORHYSMNFUUJVJO-GFCCVEGCSA-N 336.407 4.027 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 219487408 LQSUSSNZXOMEMG-OXQOHEQNSA-N 341.451 4.366 0 40 EIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222801587 FIJNVFYUXMAGJX-RBUKOAKNSA-N 349.459 4.334 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccccc1 223670081 BYRQQXTVMYZSET-UHFFFAOYSA-N 325.452 4.112 0 40 EIAB Cc1ccccc1Nc1ccc(NC(=S)NC2CCCC2)cn1 224036143 SLOIFSSHOJEIBB-UHFFFAOYSA-N 326.469 4.363 0 40 EIAB CCCCOCc1cc(C(=O)NC2CCCCC2)ccc1OCC 224723954 KDBXDRDLBHEAEK-UHFFFAOYSA-N 333.472 4.465 0 40 EIAB Cc1ccc(O[C@@H](Cc2cccc(Br)c2)C(=O)O)cc1C 225064051 YLKYEKVLDBSUTH-INIZCTEOSA-N 349.224 4.141 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225552880 RQPFRINUTRXEGQ-OAHLLOKOSA-N 337.419 4.174 0 40 EIAB Cc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)nc1 225570005 RLVLMRZLQIQAQO-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCc1cncs1 559384924 FBRACAVPJAERTP-UHFFFAOYSA-N 344.524 4.349 0 40 EIAB O=C1N(CC2CCCCC2)C[C@]12CCCN(CC1CCCCC1)C2 585099278 APHIVMCJUTVAPO-OAQYLSRUSA-N 332.532 4.071 0 40 EIAB O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ncnc2sccc12 1556824592 LUUARDKKIGRRBE-XYPYZODXSA-N 343.839 4.021 0 40 EIAB CCCCOC(=S)SCC(=O)c1ccc(Br)cc1 1775968350 CPHOHDSSSDOSMZ-UHFFFAOYSA-N 347.299 4.467 0 40 EIAB C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21 34892 VJPQGQKYEPPMAS-LLVKDONJSA-N 336.218 4.350 0 40 EIAB Cc1sc(NC(=O)c2ccccc2C(=O)O)nc1-c1ccccc1 105824 NGRQRRKOFUJWHP-UHFFFAOYSA-N 338.388 4.069 0 40 EIAB COc1ccc2c(C)cc(SCC(=O)Nc3ccccc3)nc2c1 381380 XWZDZPUHBXIYGW-UHFFFAOYSA-N 338.432 4.283 0 40 EIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)c1 505896 BYKYCGPZTSTSDM-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB CC[C@H]1CCc2sc(C(=O)NCc3ccccc3OC)cc2C1 3344869 SUHOSCOUOCDHBK-ZDUSSCGKSA-N 329.465 4.202 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 3446682 QFXYPSRMEYDRBG-MRXNPFEDSA-N 331.799 4.016 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 3481123 BAJMXOPTGGNEEP-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 3635576 FVVJRNWEQYRKJG-UHFFFAOYSA-N 340.448 4.378 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)C1CCCC1 4783422 LJPARTXWZLDCFR-GJZGRUSLSA-N 328.456 4.218 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1[C@H](O)CC(C)(C)C2 5323351 MDHWTKOAIQEJKN-BLLLJJGKSA-N 339.435 4.185 0 40 EIAB O=C(O)c1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 5899801 LHPCPBWJBFHEEL-IBGZPJMESA-N 344.370 4.156 0 40 EIAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(F)c1 6863053 WFEMKVDDNYAIHJ-UHFFFAOYSA-N 337.354 4.007 0 40 EIAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 7402717 JRVSRWDSBMSDPW-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 7807500 WOZOHZYYIZRQJI-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB Cc1ccc2oc(C(=O)Nc3cccc(Br)c3)cc2n1 8798642 IEZXAVVIJIVERJ-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccc(Br)cc3)oc12 8960596 LCKQNYHVTDRWBQ-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB CCSc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 9613983 BEEWZVOBMFYZEO-UHFFFAOYSA-N 333.482 4.101 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c(OC)c1 9895023 QFQFPCMMNKSKAZ-BPOBUFBUSA-N 337.419 4.081 0 40 EIAB CC(C)c1ccc([C@H](C)NC(=O)CN2CCc3sccc3C2)cc1 10093597 BNTCYQYNWSIWKC-HNNXBMFYSA-N 342.508 4.107 0 40 EIAB CCC[C@@H](NC(=O)[C@@H](C)N1CCc2sccc2C1)c1ccccc1 10093979 OCANSTJKSOQSKY-CRAIPNDOSA-N 342.508 4.152 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 11204887 WTMHCDZZRVACDS-IBGZPJMESA-N 329.827 4.295 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1c(F)cccc1Cl 11308099 AWFSXEYHRVWNQN-UHFFFAOYSA-N 332.762 4.080 0 40 EIAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 11916561 VCFHDWGQRSQSDU-UHFFFAOYSA-N 338.432 4.389 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccn1 12545206 PTASCZUOCACJTI-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COc1ccccc1-c1noc(CN2c3ccccc3CC[C@@H]2C)n1 12565452 LZBQEFFRVOZVOJ-AWEZNQCLSA-N 335.407 4.087 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(F)c1 12745175 OGVFKWVVBXNZEL-UHFFFAOYSA-N 338.338 4.232 0 40 EIAB Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)C[C@H]2C)cc1 13320381 JSRATZRMVQLBDA-OAHLLOKOSA-N 343.858 4.391 0 40 EIAB Cc1cccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 14313473 PYXLPWJSTHSXCT-UHFFFAOYSA-N 344.263 4.123 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 15729990 ZWNZZYIXWXJAOU-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C)c(C)c3)cc21 17247774 GYXDEODOUBGLLL-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(C)=O)c1 20454100 RETBRKKQIXPEBV-SFHVURJKSA-N 325.408 4.302 0 40 EIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)ccc1O 21915159 DZHOKDBHLGDODK-UHFFFAOYSA-N 343.732 4.337 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 25107074 FWEXHKVKXRWGJO-UHFFFAOYSA-N 347.871 4.309 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2C)c1 26379262 WKZUOJZEVLTDAD-CABCVRRESA-N 339.439 4.075 0 40 EIAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccco2)cc1 28243431 APFLKSWZDTZEOS-UHFFFAOYSA-N 335.285 4.045 0 40 EIAB CCCn1nccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 28244647 JDZVGNMVQOVNKO-UHFFFAOYSA-N 331.725 4.218 0 40 EIAB CC(C)N(C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F 32925022 HDUJBWCGMUMKAH-UHFFFAOYSA-N 348.849 4.249 0 40 EIAB CCCC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 33644934 YHDJLRFZQHOXCZ-UHFFFAOYSA-N 326.440 4.073 0 40 EIAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(C(C)C)cc1 36127390 GXJRKEFKKLRLEN-NRFANRHFSA-N 337.463 4.300 0 40 EIAB CCOc1ccc(CN(CC)C(=O)c2cc(F)cc(F)c2)cc1OC 39976000 RSOSSXDUNMYHOK-UHFFFAOYSA-N 349.377 4.034 0 40 EIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2)c1 40266960 VJVQWWFNWDGPQL-OAHLLOKOSA-N 349.390 4.013 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccsc1)N1CCC[C@H]2CCCC[C@@H]21 46088615 GDZVJUURFDGLOS-NXHRZFHOSA-N 332.513 4.066 0 40 EIAB CSCc1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)o1 48287335 OWCPWXPQQSZDQA-UHFFFAOYSA-N 336.482 4.353 0 40 EIAB O=C(Nc1ccccn1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 48346825 IHXWTUNLYDQOPT-UHFFFAOYSA-N 335.329 4.297 0 40 EIAB CCCn1ccc2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc21 51421078 XWOSSPYGDQAABJ-UHFFFAOYSA-N 345.402 4.145 0 40 EIAB CCOc1cccc(CNC(=O)COc2cc(C)ccc2C(C)C)c1 59059077 UXCLKKQFIXYHEG-UHFFFAOYSA-N 341.451 4.212 0 40 EIAB Cc1cnc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C)C2CC2)cn1 77763205 GTGVBWDRRJBNGO-GFCCVEGCSA-N 349.356 4.249 0 40 EIAB O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC[C@@]2(CCOC2)C1 84594607 IXQNQENNQWDEPJ-HXUWFJFHSA-N 336.391 4.230 0 40 EIAB CCCn1nccc1NC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 84759133 RZEHKICELCSIJK-FXAWDEMLSA-N 338.455 4.226 0 40 EIAB CC(C)c1noc(CCC(=O)N(CC(C)(C)C)c2ccc(F)cc2)n1 89893628 AFHFRYNXNRUQFI-UHFFFAOYSA-N 347.434 4.344 0 40 EIAB C[C@@H](CC(=O)Nc1cccc(CCN2CCCC2)c1)c1ccccc1 95455578 IPFJMNJQTRCOGR-SFHVURJKSA-N 336.479 4.457 0 40 EIAB CC[C@@](C)(NC(=O)CCCc1c[nH]c2ccccc12)c1nccs1 96416666 WTLLMFPAHPDBAN-LJQANCHMSA-N 341.480 4.389 0 40 EIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 97022855 LLPUDYGWRZJCLD-YVEFUNNKSA-N 329.419 4.023 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103077161 JVPLYRPRJVNTFD-KJWHEZOQSA-N 344.480 4.249 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 113969821 KNKOOXAJLVMWRZ-GOSISDBHSA-N 327.424 4.498 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)o1 216893942 DWTNPIVJVFCJIM-FNORWQNLSA-N 345.761 4.194 0 40 EIAB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 219863464 VDABACYOGPAQHZ-MRXNPFEDSA-N 340.442 4.228 0 40 EIAB Cc1cc(NCCN)c2c(Cl)ccc(Oc3ccccc3)c2n1 222692680 SYZZTDGGQMYQKN-UHFFFAOYSA-N 327.815 4.360 0 40 EIAB Cc1ccc(CCCNC(=O)CSCc2cccc(C)c2)cc1 222741939 CRNQOLXPXIRNFK-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB COc1ccccc1O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225091381 JDBBTIBDIITLDD-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB CC(C)COc1c(Br)cc(C(C)(C)C)cc1C(=O)O 225283887 IQULAAIYIQXTQA-UHFFFAOYSA-N 329.234 4.480 0 40 EIAB COc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cn1 225496393 VLBUZUCCCRRAPB-MRXNPFEDSA-N 329.469 4.164 0 40 EIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225799305 OEOVUZXHBNGNSY-HNNXBMFYSA-N 333.350 4.248 0 40 EIAB CCc1nc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc2n1C 225895571 YYIHXBQJFJYRLA-GFCCVEGCSA-N 341.842 4.280 0 40 EIAB CC(C)c1cc(C(=O)N2CCC[C@H]2CCCO)c(O)c(C(C)C)c1 305782023 AFHYOEXTBZYCIJ-INIZCTEOSA-N 333.472 4.016 0 40 EIAB CCC[C@H]1N=C(SC)N(c2ccccc2)C(C)=C1C(=O)OCC 408730269 GQBOCFCBTOWHDH-OAHLLOKOSA-N 332.469 4.231 0 40 EIAB CCc1noc(C)c1-c1noc(-c2ccc(O[C@@H]3CC3(F)F)cc2)n1 528183041 LPEDXPPCGWGBKZ-CYBMUJFWSA-N 347.321 4.049 0 40 EIAB CC(C)c1ccc(-c2noc(CN3CCCCCCC3=O)n2)cc1 544898238 QBAWJFWNKZZIOI-UHFFFAOYSA-N 327.428 4.153 0 40 EIAB CO[C@@]1(C)CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 1651817325 HHDVCCBNFRBHDN-NRFANRHFSA-N 333.435 4.302 0 40 EIAB c1ccc2oc([C@@H]3CCCN(c4nc5cnccc5s4)C3)nc2c1 1888928861 BZDIWKDIAMLVQN-GFCCVEGCSA-N 336.420 4.217 0 40 EIAB CC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 214017 AMUCTGUNQGEJLZ-UHFFFAOYSA-N 335.432 4.368 0 40 EIAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3scnn23)cc1 297561 FQXZTDHCYMRUSH-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB CCSc1nnc2c3c4c(sc3nc(CC)n12)C[C@@H](C)CC4 413752 ZEMDKDGZTMRKDC-VIFPVBQESA-N 332.498 4.138 0 40 EIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(Cl)cc1 1934077 VKFRWYMBQCOSNZ-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 1948695 YVHWYJHPVWULEP-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CC(C)Oc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 3066130 JTZMRWDUZKEHPQ-UHFFFAOYSA-N 341.432 4.428 0 40 EIAB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)c1ccccc1 3443467 IVHOUIBBAVNOSS-CQSZACIVSA-N 348.398 4.279 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2)cc1 3549450 UZIVVOSRZNUPFC-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB CSc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 4472433 BXLUZKXGBSKTQY-VBKFSLOCSA-N 346.521 4.141 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 5269196 GAUHOZYBYNQSGN-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 5681899 HMBCRBHOAZYWAR-UHFFFAOYSA-N 327.427 4.403 0 40 EIAB CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 5682203 RHZVYFJJRYCVMK-OXQOHEQNSA-N 339.435 4.307 0 40 EIAB CCOC(=O)[C@]1(C)C(=O)C[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 5707125 DFOTVZLOJCXIMY-JQVVWYNYSA-N 336.431 4.486 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CCCOc1cccc(C)c1 6559233 HPJWQFGATUIULG-INIZCTEOSA-N 327.424 4.040 0 40 EIAB COc1cc(-c2nc3cnccn3c2Nc2ccccc2C)ccc1O 6732861 QJNKUGANORWXIB-UHFFFAOYSA-N 346.390 4.163 0 40 EIAB COc1cc(C)c(NC(=O)c2ccc3c(c2)CCCC3)cc1OC 6789494 WFWDRZVTUBWCGF-UHFFFAOYSA-N 325.408 4.143 0 40 EIAB COc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1 7294719 WYKIWBAJDNXXOS-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB NC(=O)c1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 8157417 CMIXVHYQJUTKLZ-UHFFFAOYSA-N 347.399 4.250 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccccc2)cc1Br 8723052 BSPNLGZSVLYBHF-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccs1 8723885 UWZGHSXJUKKEGX-AWEZNQCLSA-N 335.428 4.470 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)NOCc3ccccc3)sc2n1 10319587 ZCRUCQZAPRUMRO-UHFFFAOYSA-N 326.421 4.083 0 40 EIAB CC[C@H](NC(=O)c1c(C)oc2ccc(O)cc12)c1ccc(F)cc1 12199711 LBXZGUXGERWYBE-INIZCTEOSA-N 327.355 4.467 0 40 EIAB CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccccc1F)C3 12236821 QJFJSZHOQPPMBK-UHFFFAOYSA-N 336.366 4.451 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(F)c3)cc2)cs1 12997443 PHTMOCKCWLJLNV-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccc1F 14093508 WIKGUEHGQVBSHY-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CCCCC2)s1 16722097 WUGVFHFXBJATKF-UHFFFAOYSA-N 340.452 4.248 0 40 EIAB Cc1cc(NC(=O)c2ccccc2)n(-c2nc3ccccc3s2)n1 16850992 GPUSIMRDMAIZOB-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)N1CCCCCC1 21605491 LTBKSKRBVJXNNE-ZDUSSCGKSA-N 347.459 4.099 0 40 EIAB Cc1noc(C(C)C)c1C(=O)NCCSc1ccc(Cl)cc1 22694299 CDCTUULVLSMCPX-UHFFFAOYSA-N 338.860 4.282 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccc(F)cc2s1 23119222 FOCPYXBDKXEWMT-UHFFFAOYSA-N 326.396 4.105 0 40 EIAB Cc1nc(Cc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cs1 32825924 KJEGEFBRRIUSMW-UHFFFAOYSA-N 341.461 4.051 0 40 EIAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(C)C)cc2)N1 35781002 PYFUFWIRRAVVMB-WOJBJXKFSA-N 348.446 4.068 0 40 EIAB biogenic CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38833659 ZQUAHHRAKCPHJT-SFHVURJKSA-N 340.442 4.239 0 40 EIAB CC1(C)N=C(c2cccc(Cl)c2)C(=S)N1C(=O)c1ccccc1 45932639 IBUTWSBGGVJAHU-UHFFFAOYSA-N 342.851 4.349 0 40 EIAB CCOc1cccc(NC(=S)NCCSc2ccccc2)c1 54971766 YRPJJFWPDYWEIU-UHFFFAOYSA-N 332.494 4.164 0 40 EIAB Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)c1 58357400 BQXOQCUWYRFXAZ-QAPCUYQASA-N 327.424 4.139 0 40 EIAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OC(C)C)CC(O)=N2 61721170 WGFCIRKLZGWHAX-LLVKDONJSA-N 347.440 4.104 0 40 EIAB COc1ccc(-c2cnc(C[S@](=O)Cc3ccccc3C)o2)cc1 69876230 FURSRCRQMSQQPP-DEOSSOPVSA-N 341.432 4.108 0 40 EIAB O=C(Nc1ccc(CCN2CCCC2)cc1)[C@H]1CCCc2ccccc21 70038307 TUPKSIBPPWBJBF-QFIPXVFZSA-N 348.490 4.384 0 40 EIAB CC(C)c1ccc(NC(=O)NCCCCN2CCC[C@H](C)C2)cc1 75572448 HSJFLDDXFWRCJI-KRWDZBQOSA-N 331.504 4.444 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccccc2)ns1 78792074 WUOJMPQVHAJHDM-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1 84169314 SXFQZRXJHOUFEH-KRWDZBQOSA-N 349.521 4.303 0 40 EIAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccnc1SC1CCCC1 84525468 HOVQLHSATVNTIG-ROUUACIJSA-N 338.476 4.402 0 40 EIAB c1ccc([C@@H](NCc2cnc(-c3cnccn3)s2)C2CCC2)cc1 88701893 WQKHEHUCANKAQF-GOSISDBHSA-N 336.464 4.231 0 40 EIAB CC[C@H](Sc1nnc(CSC)o1)C(=O)c1ccc(Cl)cc1 95418404 PSTIYUWHTFUZCX-NSHDSACASA-N 342.873 4.340 0 40 EIAB CC(C)c1cnc(COc2cccc(NC(=O)c3ccco3)c2)o1 96428938 RIKYCQUSKMNWHU-UHFFFAOYSA-N 326.352 4.222 0 40 EIAB Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(N2CCCC2=O)cc1 97037105 XQHXJSYMNJUFEG-AWEZNQCLSA-N 340.471 4.246 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 104816261 MZRMXSYFSJMQFA-VUHPKUFZSA-N 327.468 4.207 0 40 EIAB O=C1NCCCN1c1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 129572610 XZNTZBIJSPDRLO-CHWSQXEVSA-N 341.377 4.139 0 40 EIAB c1coc(-c2nc(CNc3nnc(-c4cccs4)o3)cs2)c1 195562455 OKOGADYFQJXGLB-UHFFFAOYSA-N 330.394 4.127 0 40 EIAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)Nc1ccccc1 207967972 IYBDWHJQJNPUKV-INIZCTEOSA-N 344.461 4.213 0 40 EIAB Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1 216808154 LXLGPCLTLWWVQB-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB COC(=O)c1cn(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc12 222569280 OYOAGUUJYZFQTM-DHZHZOJOSA-N 339.778 4.435 0 40 EIAB COc1ccc(N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 222936115 WWVOOVAEPQKTCP-UHFFFAOYSA-N 331.415 4.490 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(OC)c(Cl)c1 223177604 VHEYEBRLYGSDKZ-QGZVFWFLSA-N 345.826 4.165 0 40 EIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1 224284437 VANXFLRDFOUNMS-OAHLLOKOSA-N 337.394 4.105 0 40 EIAB O=C(/C=C/c1cccs1)NCc1cccnc1-c1ccsc1 225644449 HMKPYAXOALMDFO-AATRIKPKSA-N 326.446 4.201 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1Cl 225762053 DWMYHGQUIJZDHU-UHFFFAOYSA-N 348.786 4.169 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)c(C)n1 225912359 PESHLLLMTPHZRC-UHFFFAOYSA-N 348.487 4.493 0 40 EIAB CC[C@H](C)n1cc(Br)c(COCCC(F)(F)F)n1 408716351 LVQGQDJYGAEWFL-QMMMGPOBSA-N 329.160 4.086 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CCO[C@@H](c4ccccc4)O3)n2)cc1F 585133694 RCDIXNCUIKAIGX-QFBILLFUSA-N 340.354 4.361 0 40 EIAB CC(C)(C)c1csc(CSc2ncc3c(n2)CCCC3=O)n1 629198709 VVFMGSSTWKBWBY-UHFFFAOYSA-N 333.482 4.042 0 40 EIAB C[C@@H]1CC(NC(=O)NCCc2ccccc2C(F)(F)F)C[C@@H](C)C1 1563771439 VOCGVKGRLYFWRR-STQMWFEESA-N 342.405 4.372 0 40 EIAB C[C@H](NCc1cncc(C(F)(F)F)c1)c1nc2c(s1)CCCC2 1614997910 KGDYFHMMLNHDFR-JTQLQIEISA-N 341.402 4.287 0 40 EIAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1CCCO1 483938 LYLIYECAEZMBJK-LBPRGKRZSA-N 343.235 4.234 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)[P@](=O)(O)c1ccccc1 1737634 CYTHFZAHZQHPEB-UHFFFAOYSA-N 330.107 4.121 0 40 EIAB Cc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1C1CC1 3398283 ZCWUZPCMRIOHIP-UHFFFAOYSA-N 339.435 4.415 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1C(F)(F)F 3427482 JAQJMGKHQGMUFZ-ZHACJKMWSA-N 327.327 4.118 0 40 EIAB COc1ccc2c(c1)Oc1cc(O)ccc1[C@@H]2c1ccccc1C(=O)O 4557093 PZRDLOPGAADAPQ-FQEVSTJZSA-N 348.354 4.385 0 40 EIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1 5021160 JGIMTBCIQNLVLY-GFCCVEGCSA-N 340.404 4.109 0 40 EIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)cc1C 5053250 NRWZBUJCBUAJEO-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB COc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)cc1 5279375 XMNVTZVTRCZPOC-UHFFFAOYSA-N 328.393 4.281 0 40 EIAB CCCCCOC(=O)NCCCCCCNC(=O)CCCCC 5417821 AAPMYJWRNDFPMK-UHFFFAOYSA-N 328.497 4.160 0 40 EIAB CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(Cl)cc1 5518123 XDWRYHHAVJUACR-UHFFFAOYSA-N 337.876 4.326 0 40 EIAB CC(C)COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6364526 JCKGAVAUVBFEHF-UHFFFAOYSA-N 327.468 4.420 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 6652961 MTEKEEVZURTMKL-YWZLYKJASA-N 338.451 4.080 0 40 EIAB CN(CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)c(Cl)c1 6976104 RPQUFONPVLIHKV-UHFFFAOYSA-N 349.261 4.015 0 40 EIAB CCc1nnc2c(N[C@H](CC)Cc3ccccc3)nc3ccccc3n12 7504182 IVOLGMSSKRTSFY-MRXNPFEDSA-N 345.450 4.273 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 8040985 HALSDXRKFZPKOV-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB O=C(NC1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8076100 YGWBTKJYPZMSJR-UHFFFAOYSA-N 349.409 4.351 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c(Cl)c1 9689915 QDGXIDXOZXFTAZ-PXAZEXFGSA-N 331.799 4.124 0 40 EIAB Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 10351398 PUULBRQUVRGLCM-ORAYPTAESA-N 344.405 4.341 0 40 EIAB Cc1ccccc1CN(C)CC(=O)N[C@H](c1cccs1)C(C)C 11204234 YAYQCYFAJQWZCH-IBGZPJMESA-N 330.497 4.002 0 40 EIAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccccc1F 11620744 DIQPIPCSSIFQET-UHFFFAOYSA-N 347.821 4.130 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 12538937 MRRLFRUHBSEITB-VHSXEESVSA-N 328.359 4.353 0 40 EIAB C[C@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCC1 12782211 UZPHSYXSBWNNFX-KXBFYZLASA-N 341.430 4.173 0 40 EIAB Cc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1C 12972909 VSGWZZSIVRZAJP-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB CN(C)C(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 13626565 SMEPUIPDMDWIIB-UHFFFAOYSA-N 344.414 4.308 0 40 EIAB c1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13689180 WOHSMYBTLCVKAH-UHFFFAOYSA-N 329.388 4.068 0 40 EIAB COc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 14017826 YJLYRSGHJBKVEZ-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB Cc1ccc2cc(CSc3nnnn3C3CC3)c(Cl)nc2c1C 14112342 ZUKFTKAACVFLED-UHFFFAOYSA-N 345.859 4.119 0 40 EIAB Cc1ccc(C)c(CSc2nnc([C@H](N)Cc3ccccc3)o2)c1 16033433 HJCATHPGKOKIQB-QGZVFWFLSA-N 339.464 4.221 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 16279045 WNWKXIWDXXNWRW-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB c1ccc(C2CCCCC2)c(OCCCCCN2CCNCC2)c1 19365819 NZWBFVUZQHXPKM-UHFFFAOYSA-N 330.516 4.189 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)C1 20451743 JYMUZOFKFKIYOE-INIZCTEOSA-N 348.556 4.180 0 40 EIAB COc1ccc(-c2cc(Cn3cnc4cc(C)c(C)cc43)on2)cc1 23057239 UMISIKCRRHXNLI-UHFFFAOYSA-N 333.391 4.365 0 40 EIAB CN(CCOc1ccc(F)cc1)C(=O)c1cc2ccccc2s1 24187991 DAFZREQKOGHGDH-UHFFFAOYSA-N 329.396 4.191 0 40 EIAB CSCCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 25406629 OIMPAMVDROXKQE-UHFFFAOYSA-N 336.526 4.303 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cn1 27275806 NLLKKSGZOXPXIY-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1F 28210875 VJHQZBIOKNHTLC-UHFFFAOYSA-N 334.124 4.341 0 40 EIAB NC(=O)c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 30510571 SUXLBTBHINYPBC-UHFFFAOYSA-N 340.448 4.073 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc(OC(C)C)c2)cc1OC 30866663 NFOPOBPKVXUZCO-UHFFFAOYSA-N 343.423 4.062 0 40 EIAB O=C(CCc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 32721485 OTBHEPVSIQZJLH-UHFFFAOYSA-N 329.783 4.442 0 40 EIAB C[C@@H](c1ccccc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804135 QYBZZRGYQAVPPA-SFHVURJKSA-N 348.490 4.045 0 40 EIAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1cccs1 35586423 GBDNNULBJSPPBG-UHFFFAOYSA-N 346.220 4.419 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2cccnc2Sc2ccccc2)C1 36714460 UTKSLGCZAKSYFA-GJZGRUSLSA-N 326.465 4.351 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)COc2c(C)cccc2C)n1 36748357 KHMBRMXBOOXVEI-UHFFFAOYSA-N 349.434 4.123 0 40 EIAB CCCCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38857565 VPCMQRKGSDHSLL-ZDUSSCGKSA-N 343.298 4.122 0 40 EIAB CCCCCn1ccc2c(cnc3c(-c4ccccc4)c(C)nn32)c1=O 40387972 NAXDKMZSEWVEMB-UHFFFAOYSA-N 346.434 4.210 0 40 EIAB COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 46032700 TXIJPVMWNSYIJY-GOSISDBHSA-N 328.387 4.341 0 40 EIAB COC(=O)c1cc(OCc2ccccc2Cl)c2cc(F)ccc2n1 65033334 CVMBOLCMCBCRSF-UHFFFAOYSA-N 345.757 4.393 0 40 EIAB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cn1 65594193 QLBGXEKWMBHQQD-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccccn1)c1nc(-c2ccccc2)cs1 69705308 QTCZBMRRESAERN-PLSXKVAHSA-N 335.432 4.096 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCCSc3ccccc3)no2)cc1 72238598 DGVCSBQIMRPMJE-UHFFFAOYSA-N 338.432 4.172 0 40 EIAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)c(C)o1 75602438 AMRCOYDTRVKAHQ-XHDPSFHLSA-N 349.862 4.059 0 40 EIAB O=C(/C=C/c1cnc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])cc1 79942742 VYOHMWDNHFBIAP-BQYQJAHWSA-N 337.360 4.009 0 40 EIAB Cc1cccc(CC(=O)N2CCC(CSCc3ccco3)CC2)c1 85472431 PHYSKKSEKUREAN-UHFFFAOYSA-N 343.492 4.303 0 40 EIAB CCC(CC)n1ncc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c1C 89943203 ZSSPFSFDZLAWHL-AWEZNQCLSA-N 343.471 4.394 0 40 EIAB Cc1noc(C)c1CSCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 96441249 SMEIMSWNNQRPLP-WBMJQRKESA-N 348.468 4.117 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(OC)c1 113955397 ZIAOJOFHLBOBNM-OAHLLOKOSA-N 349.814 4.153 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSC(C)(C)C 113971404 YXRVWIRKTRCXRC-HNNXBMFYSA-N 343.920 4.454 0 40 EIAB C[C@@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccs1 194945089 TVDLNMZMFCOIGO-CYBMUJFWSA-N 345.439 4.112 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219581959 UGJHMXZAIAGQAT-MAUKXSAKSA-N 329.415 4.477 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223197252 OYJIXMUFSPSJTB-KBPBESRZSA-N 343.854 4.473 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccccc2C(C)C)cc1 223771382 DIXRMEWSFJBDIV-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB CCOc1ccc(C(=O)NC2CC2)cc1COc1cccc(Cl)c1 224485589 GJPWFJWAGRDARV-UHFFFAOYSA-N 345.826 4.210 0 40 EIAB CCCCc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1 225446493 ITPIMNSTKBAEGQ-UHFFFAOYSA-N 325.456 4.493 0 40 EIAB O=C(Cc1cccc(Br)c1)N[C@H]1CCCc2ccccc21 225617777 HWOJZSNEJHJTML-KRWDZBQOSA-N 344.252 4.185 0 40 EIAB COCCC1(NC(=S)Nc2cccc(OC(C)C)c2)CCCC1 225867796 SPSUGYMVJNKWLQ-UHFFFAOYSA-N 336.501 4.110 0 40 EIAB Cc1cccc([C@@H](C)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 606830791 URKUJKBBULXGPZ-MRXNPFEDSA-N 345.446 4.291 0 40 EIAB CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 73488 BEHVFWRCBDFHBE-UHFFFAOYSA-N 339.174 4.389 0 40 EIAB COc1ccc(CNc2ncnc3c2[nH]c2ccc(C)cc23)cc1OC 488563 KOKDFKBSCRDRPE-UHFFFAOYSA-N 348.406 4.049 0 40 EIAB biogenic Cc1cc(OCC(=O)NC(C)(C)C)c(C(C)C)cc1Br 510190 BVHMMTPZCLMRAZ-UHFFFAOYSA-N 342.277 4.174 0 40 EIAB Cc1cc(C)n([C@H]2CCCC[C@@H]2OC(=O)CCc2ccccc2)n1 521958 QQKZHLKZHQGJCS-OALUTQOASA-N 326.440 4.160 0 40 EIAB Cc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC2CCCC2)cc1 1381177 WPZKQPMEHLGOPL-QGZVFWFLSA-N 343.448 4.013 0 40 EIAB Cc1ccc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1401701 QDJSNDWKIXRDJL-OAHLLOKOSA-N 331.824 4.073 0 40 EIAB O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1ccccc1 1789873 WBHBQURIJMDXCT-UHFFFAOYSA-N 332.311 4.272 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1cccc(Br)c1 1924674 DVMQHYGLZXTAHL-MDZDMXLPSA-N 332.197 4.110 0 40 EIAB Cc1cccc(C(=O)c2cccc(CN3CCSCC3)c2)c1C 2515288 LGAOSHPJPRGFBX-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(Cl)c2)c1C 3221724 HORYKKSZAGYQKF-UHFFFAOYSA-N 334.803 4.022 0 40 EIAB Cc1cc(SCC(=O)N2CCC(C)CC2)nc2c(C)cccc12 3436821 AOJGNSLAMGGMDT-UHFFFAOYSA-N 328.481 4.202 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2ccc(F)c(F)c2)c1 4120210 OYAXPEQEBSZQEJ-UHFFFAOYSA-N 346.402 4.018 0 40 EIAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21 4933383 APOWOPPDDNYYGM-UHFFFAOYSA-N 349.459 4.212 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc(F)cc1 5382081 MPXAELURWKMCDE-UHFFFAOYSA-N 339.366 4.056 0 40 EIAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1F 5409229 HMJRXWNVNVYDHY-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)c1 5509602 HIMPNAPDXSDVNJ-UHFFFAOYSA-N 343.423 4.262 0 40 EIAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccccc1Cl)CC3 5584046 WRRFIMQUNVXAJU-UHFFFAOYSA-N 333.774 4.392 0 40 EIAB Cc1nc2c(sc(=S)n2-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 6160698 OPJHYHYBIXLAOK-UHFFFAOYSA-N 344.248 4.120 0 40 EIAB Cc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 6300692 LWJORFUELOKRQJ-KRWDZBQOSA-N 341.480 4.252 0 40 EIAB Cc1cc(C)nc(SCCCNCc2c(F)cccc2Cl)n1 6678431 SXEGPWMEPCMOPC-UHFFFAOYSA-N 339.867 4.158 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)oc2ccccc12 7738610 HNVUKFUXSGODTI-OAHLLOKOSA-N 345.402 4.418 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2ncccc12 7757896 VRZAGSDFXFGHIR-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCSc2ccccc21 7814066 QIELKCJJAIYDRZ-MLGOLLRUSA-N 347.867 4.461 0 40 EIAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 8122546 MQXGJLLLXBMBTP-INIZCTEOSA-N 332.444 4.148 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1 8494631 DBDXXBLIBZCGNZ-LJQANCHMSA-N 343.492 4.202 0 40 EIAB Cc1cccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)c1 9062585 MRJYPPIPMFUIKQ-UHFFFAOYSA-N 348.490 4.186 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C 9063460 RDQYQSVODWKRNM-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 10295320 ZPRBQVMNZXPTAE-LLVKDONJSA-N 349.839 4.246 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 11612253 MMIRJOKAHDIIIE-DBXWQHBBSA-N 339.479 4.071 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2nccn2C2CC2)c(Cl)c1 11892673 KXMDGQREYGTIJL-UHFFFAOYSA-N 335.860 4.219 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cn2ccccc2n1 12643451 IYOOZDYFDIEHCF-UHFFFAOYSA-N 329.359 4.379 0 40 EIAB O=C(Nc1ccccc1-c1cccs1)[C@H]1COc2ccccc2O1 12775429 QYFHVJCPKLCYMW-QGZVFWFLSA-N 337.400 4.194 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)cc(C)c1 12875167 OYSANVZBDKFQJB-HXUWFJFHSA-N 334.419 4.206 0 40 EIAB CCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1 12924646 NLDUTJFNEFISQA-UHFFFAOYSA-N 335.407 4.140 0 40 EIAB O=C(NC1CC1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccc(F)cc1 14079567 XSCUQDWPNOMHID-MRXNPFEDSA-N 337.753 4.017 0 40 EIAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@@H]4C3)c2c1 19345185 CGLBQXCRGUSAEM-FRQCXROJSA-N 339.483 4.427 0 40 EIAB CN(Cc1ccc(C(C)(C)C)cc1)Cc1nc(N)c2ccccc2n1 22010552 KOLRYVPHQYKUAR-UHFFFAOYSA-N 334.467 4.142 0 40 EIAB Cc1cccc(N[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 22465060 IXXJLNFYJGJLLD-SIHNGCNOSA-N 326.484 4.189 0 40 EIAB O[C@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccccc1 23674223 GNHLZLLYMFXCDJ-QGZVFWFLSA-N 337.448 4.030 0 40 EIAB Clc1cc(CNc2nc3ccccc3o2)cc2c1OCCCO2 29391252 NWWJONXZFSGESS-UHFFFAOYSA-N 330.771 4.255 0 40 EIAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12 31903872 XWMFYGOLOJKMSD-BLLLJJGKSA-N 337.872 4.350 0 40 EIAB CCc1nc(NC(=O)c2ccccc2Br)sc1C 40118962 JHSVKEMGVVSCHB-UHFFFAOYSA-N 325.231 4.029 0 40 EIAB O=C(CCCc1cccs1)N1CCC(OCc2ccccc2)CC1 40477255 JCCQZUOOTWUCAX-UHFFFAOYSA-N 343.492 4.279 0 40 EIAB CC[C@@H]1c2ccsc2CCN1Cc1csc(-c2ncccn2)n1 51499928 FINMAHRGAXCPFZ-CQSZACIVSA-N 342.493 4.171 0 40 EIAB CCC(C)(C)NC(=O)c1ccc(NCc2c(C)noc2C)cc1Cl 55879357 JMERDLUBIFFCBJ-UHFFFAOYSA-N 349.862 4.475 0 40 EIAB Cc1noc(C)c1CNc1cccc(C(=O)N2CCc3ccccc32)c1 58201212 GTHYUHTUEHFODT-UHFFFAOYSA-N 347.418 4.106 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 69419793 ARMKEQPNWAZKMS-CQSZACIVSA-N 347.484 4.209 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccnc(Oc2ccccc2)c1 69745094 VRUUMOKVVGEQGT-LBPRGKRZSA-N 337.379 4.221 0 40 EIAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2/C=C/c2ccco2)cc1 70038068 KFCROCWORHNZMR-SJFMBGHLSA-N 346.386 4.400 0 40 EIAB Cc1noc(C)c1CC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 71920745 QBKKTIKRRHYEOJ-HNNXBMFYSA-N 326.440 4.224 0 40 EIAB COc1ccc(Cl)c2c(Nc3ccccc3C(=O)O)ccnc12 78401540 KRJUUMPKMDTSMA-UHFFFAOYSA-N 328.755 4.339 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)C1(C)C 95392979 CLKANWMSKSSLCR-SJLPKXTDSA-N 328.431 4.204 0 40 EIAB Cc1ccc(-c2ccc(C(=O)N(C[C@@H](C)O)C(C)C)c(F)c2)cc1 95432290 YLENQLOBTKOMMI-OAHLLOKOSA-N 329.415 4.033 0 40 EIAB C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccccc1C(C)(C)C 95467011 XXAQJJMKSNYJEI-OAHLLOKOSA-N 331.504 4.178 0 40 EIAB CCc1cccnc1NCc1cc(Br)c(OC)s1 95973202 GOAOMNIKSNXATR-UHFFFAOYSA-N 327.247 4.089 0 40 EIAB CCc1noc(C)c1NC(=O)Cc1csc(-c2ccc(C)cc2)n1 95974542 CUNZTVAMHQWTOX-UHFFFAOYSA-N 341.436 4.159 0 40 EIAB Cn1c(C(=O)Nc2cccnc2)cc2c1c1ccccc1n2CC1CC1 96037408 JNSRBINTNXDNLU-UHFFFAOYSA-N 344.418 4.190 0 40 EIAB COc1cccc(NC(=O)NC[C@](C)(OC)c2cccc(Cl)c2)c1 96393251 YRSBKAOARQJBCN-SFHVURJKSA-N 348.830 4.032 0 40 EIAB c1ccc(CN(Cc2cnn(-c3ccccc3)c2)C[C@@H]2CCCO2)cc1 97492897 IPKVFSWPIPWZLK-QFIPXVFZSA-N 347.462 4.054 0 40 EIAB Cc1nn(Cc2ccccc2)c(N)c1-c1ccccc1Br 199749594 LIJOJUIVZZHECQ-UHFFFAOYSA-N 342.240 4.252 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 219480785 JHOXBOXJGWTZLF-CQSZACIVSA-N 349.883 4.157 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(C)cc1 219589654 RQFGCEZAXFADAL-FQEVSTJZSA-N 325.452 4.210 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2c[nH]c3ccccc23)S1 222585861 WAAYIKXBXNEMJD-UUWFMWQGSA-N 334.448 4.152 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 222850890 CPAHECALJRINTE-INIZCTEOSA-N 345.870 4.473 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C)cc2C)cc1 223439389 WWAWTKYQGVKWAN-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB S=C(Nc1ccc(Sc2ccc(Cl)cc2)nc1)NC1CC1 224032104 SWHPZSBJGWUWCQ-UHFFFAOYSA-N 335.885 4.335 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 225553793 YSRCAMGLUXLDGD-CVEARBPZSA-N 341.451 4.463 0 40 EIAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Cc1cscn1 622777275 JXLMYBJEHPXWNE-ZDUSSCGKSA-N 344.480 4.403 0 40 EIAB CCc1cccc2sc(NCC(=O)c3cccc(OC)c3)nc12 151672 XKYKZQALBDCHCU-UHFFFAOYSA-N 326.421 4.162 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)c(C)c1 364931 VVRHMDZTKMZJOE-CYBMUJFWSA-N 326.421 4.319 0 40 EIAB COc1cccc(C(=O)N(C)c2nc(-c3ccc(F)cc3)cs2)c1 413139 GOPGRMCKYPENKV-UHFFFAOYSA-N 342.395 4.234 0 40 EIAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(C)=O)c2ccccc21 501292 PZHDWFPWEPUINQ-MGPUTAFESA-N 336.435 4.316 0 40 EIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCC1CCCC1 547184 NSZABJCAUPAFFV-UHFFFAOYSA-N 346.402 4.393 0 40 EIAB COc1ccc(CCCC(=O)Nc2cc(C)ccc2OC)cc1C 971730 ATGXMONGTPKMIU-UHFFFAOYSA-N 327.424 4.282 0 40 EIAB CCOC(=O)c1cnc(SC)nc1Sc1cccc(Cl)c1 984112 KTPODDYRDWVLFC-UHFFFAOYSA-N 340.857 4.180 0 40 EIAB Cc1ccc2cc(CN(C(=O)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 1264407 DYOFOKFNVQNGQO-UHFFFAOYSA-N 340.467 4.154 0 40 EIAB O=C(NCc1ccccc1)c1cccnc1Nc1ccc(Cl)cc1 1340528 GFWORKILLIRZOS-UHFFFAOYSA-N 337.810 4.409 0 40 EIAB CCCCCc1nc2sc3c(c2c(=O)n1N)CC[C@@H](C(C)(C)C)C3 1857038 PQSXPSNBASJQMK-GFCCVEGCSA-N 347.528 4.056 0 40 EIAB Cn1nc2c3ccccc3n(Cc3ccccc3Cl)c2nc1=S 2510525 VUWLZTBDGOYYRQ-UHFFFAOYSA-N 340.839 4.354 0 40 EIAB CCn1cc(Cl)c(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)n1 2805034 VVLVATVZFVNFIW-UHFFFAOYSA-N 342.708 4.292 0 40 EIAB CC(=O)N1[C@H](Nc2ccc(Cl)cc2)C[C@@H](C)N1c1ccccc1 3017353 ADQFNWFAIRDXIZ-ACJLOTCBSA-N 329.831 4.140 0 40 EIAB O=C(Oc1csc(SC(=O)c2ccccc2)n1)c1ccccc1 3173970 TVTQSOBXFAUIRQ-UHFFFAOYSA-N 341.413 4.295 0 40 EIAB CCc1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3383687 OOQLMKQWGGXPRW-CYBMUJFWSA-N 342.460 4.475 0 40 EIAB O=C(Cc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 3608565 IIFJYQSRHFESQN-QGZVFWFLSA-N 344.252 4.185 0 40 EIAB CCCCCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050110 QVHZGXOJMMPXRN-UHFFFAOYSA-N 347.480 4.409 0 40 EIAB O=C(O)CCCCCCCCCCS(=O)(=O)Cc1ccccc1 4429800 JIOYDKKPFUPNBZ-UHFFFAOYSA-N 340.485 4.197 0 40 EIAB CCN(CC)c1ccc(NC[C@@H](O)c2cc(Cl)ccc2OC)cc1 5883625 HPUSDYJBVWYKKF-GOSISDBHSA-N 348.874 4.340 0 40 EIAB COc1cccc(NC2=NN=C(c3cc4ccccc4o3)CS2)c1 6367561 WRECPTDHNHIBMO-UHFFFAOYSA-N 337.404 4.360 0 40 EIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1n[nH]c2ccccc12 7140918 CGXQHBUTAWYNMC-UHFFFAOYSA-N 334.423 4.196 0 40 EIAB O=C(Nc1ccccc1)c1ccccc1OCc1cn2ccccc2n1 7318710 NFBMPTDJALZLDY-UHFFFAOYSA-N 343.386 4.166 0 40 EIAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)C1CC1 7979421 GQAWQEQMXMYYJF-UHFFFAOYSA-N 334.213 4.078 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)c1 8475647 LYZRZILNTMEWJC-UHFFFAOYSA-N 347.418 4.050 0 40 EIAB O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2ccccc2)[nH]1 9939306 PLQOOMWGYGMRBY-UHFFFAOYSA-N 343.839 4.459 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 10323181 JUFPEFWCOYEUQR-UHFFFAOYSA-N 349.337 4.204 0 40 EIAB O=c1[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2c1CCCC2 11903447 NXZNJXCMMHZHRF-UHFFFAOYSA-N 343.736 4.065 0 40 EIAB CC(C)[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1cccs1 12143779 HHMZKQQYCKIRNY-GOSISDBHSA-N 339.464 4.120 0 40 EIAB O=C(/C=C/c1ccc(OCc2cccnc2)cc1)Nc1cccc(F)c1 12527341 KEOCCNWEDFGNOE-DHZHZOJOSA-N 348.377 4.452 0 40 EIAB COc1cccc(-c2noc(CN3c4ccccc4CC[C@@H]3C)n2)c1 12736830 KYSTVIBLPXVRIM-AWEZNQCLSA-N 335.407 4.087 0 40 EIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)cccc2C)cc1 12935881 XFVISXMYPPKEJF-IBGZPJMESA-N 338.451 4.088 0 40 EIAB O=c1[nH]cccc1-c1nc2cc(Cl)ccc2n1Cc1ccccc1 13125619 WETRQKBZSCHOJO-UHFFFAOYSA-N 335.794 4.093 0 40 EIAB COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O 13484750 GMXMKSFJQLFOSO-SRRICDNISA-N 344.407 4.200 0 40 EIAB endogenous,in-man Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc(C)c1Cl 14398795 NKDCNMARANOSCJ-GFCCVEGCSA-N 347.798 4.061 0 40 EIAB S=C(Nc1cccc(CCc2ccccn2)c1)NC1CCCCC1 16545930 ZHLBXSNGWSHYSH-UHFFFAOYSA-N 339.508 4.486 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCOCC1 16985219 QVBSKZLIRSDGJG-UHFFFAOYSA-N 329.827 4.335 0 40 EIAB COc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 19926852 JOESIOYWPVDURC-MRXNPFEDSA-N 337.803 4.266 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(F)cc1 20050466 IIZRCCYWHGXARO-SFHVURJKSA-N 349.833 4.386 0 40 EIAB O=c1[nH]c(Cc2ccccc2F)nc2scc(-c3ccccc3)c12 20370131 YAGDDNBPRJDEET-UHFFFAOYSA-N 336.391 4.382 0 40 EIAB COc1ccc(-n2nc(Nc3ccccc3C)c3c2CCCC3=O)cc1 20796795 CPVFRIGVHRHYOZ-UHFFFAOYSA-N 347.418 4.452 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 23689744 SPUYMYSHSLYEFR-CYBMUJFWSA-N 337.341 4.270 0 40 EIAB CCc1c(C(=O)Nc2ccc(C)cn2)cnn1-c1cccc(Cl)c1 24567503 RYGXVAYYFHLNBI-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 24830672 FXEFPMGMBGXLHG-BETUJISGSA-N 348.393 4.057 0 40 EIAB C[C@@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 25601379 LYVRAMUVXBZVOR-LLVKDONJSA-N 340.320 4.134 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2O1 25623405 PIHYXGFZZJJXRG-IFMALSPDSA-N 343.426 4.090 0 40 EIAB Fc1ccc(-c2ccc(CNC[C@@H]3COc4ccccc4O3)o2)cc1 32740378 WPFALZCPSHKESS-QGZVFWFLSA-N 339.366 4.015 0 40 EIAB c1cncc(-c2nnc(SCCOc3ccc4ccccc4c3)o2)c1 32827035 MNJHLWXJZGPJRL-UHFFFAOYSA-N 349.415 4.456 0 40 EIAB Cc1occc1C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 32906997 UJCYGMKYZTYPQT-UHFFFAOYSA-N 334.347 4.166 0 40 EIAB Cc1cc(C)nc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 36617359 HKWLXUYRPCWHSZ-UHFFFAOYSA-N 348.362 4.055 0 40 EIAB COc1ccc(CC(=O)N2CCSc3ccc(Cl)cc32)cc1 40071175 QFJKZJCUVIDZML-UHFFFAOYSA-N 333.840 4.030 0 40 EIAB CC(C)Oc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40285399 OAHHKTZHOSJXJF-KRWDZBQOSA-N 348.406 4.178 0 40 EIAB O=C(O)c1nn(-c2ccccc2)c(-c2ccccc2)c1Br 44242612 ZNGRVVPIMHFYFT-UHFFFAOYSA-N 343.180 4.000 0 40 EIAB [O-][n+]1ccccc1SC(c1ccc(F)cc1)c1ccc(F)cc1 44508102 COXGIRHIZUEWDA-UHFFFAOYSA-N 329.371 4.480 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)ccc1OC 44849119 SWGNURBJBFWIIQ-SFHVURJKSA-N 327.424 4.417 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2ncc(C(C)(C)C)o2)cc1OC 48290985 BVUXYJWDWMQBBT-HNNXBMFYSA-N 344.455 4.326 0 40 EIAB CC(C)(C)n1nc(C(=O)Nc2nc(C3CC3)cs2)cc1C1CC1 52531928 TXRDKTMDWZLALN-UHFFFAOYSA-N 330.457 4.102 0 40 EIAB CC[C@H](C)Sc1ccc(NC(=O)N(C)Cc2cnn(C)c2)c(C)c1 65620571 YMGRPCVQOPWRHY-AWEZNQCLSA-N 346.500 4.283 0 40 EIAB CC(C)c1nnc(NC(=O)CCn2ccc3ccc(Cl)cc32)s1 71282688 CNJHQLQOHRKSIT-UHFFFAOYSA-N 348.859 4.298 0 40 EIAB CCC(CC)(CO)NC(=O)Nc1cccc(Oc2ccccc2)c1 72313622 JHGFITOLSLIXMK-UHFFFAOYSA-N 328.412 4.152 0 40 EIAB COc1cccc(CN(C)C(=O)c2c[nH]cc2-c2ccc(F)cc2)c1 76041292 RWDDWFGSDKFFBL-UHFFFAOYSA-N 338.382 4.102 0 40 EIAB C[C@@H](Nc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1 78582891 NVLIMYKJHOHRSD-MRVPVSSYSA-N 346.150 4.431 0 40 EIAB O=C(Cc1cccc2ccccc12)NOCc1cccc2cccnc12 78724490 LKFGLYQPUORYKX-UHFFFAOYSA-N 342.398 4.179 0 40 EIAB O[C@@H]1COc2c(F)ccc(F)c2[C@@H]1Sc1ccc(Cl)cc1 85221451 XYALFOHXBMXTOG-IUODEOHRSA-N 328.767 4.205 0 40 EIAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nnc(-c2ccccc2)o1 85347767 WISZNDONVVNHES-HUUCEWRRSA-N 343.427 4.288 0 40 EIAB CCc1cnc(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)o1 95414851 PDSIJIOAOJIYMC-CQSZACIVSA-N 341.455 4.030 0 40 EIAB Cc1ccccc1C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261335 FUYHNBGSJRAZEX-FCHUYYIVSA-N 349.474 4.247 0 40 EIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccc(O)cc2)s1 96402795 LGTBRJKPGGVDFV-BRWVUGGUSA-N 327.449 4.229 0 40 EIAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc2ccccc2c1 222783122 QUYRIGUWABCZSO-UHFFFAOYSA-N 345.851 4.113 0 40 EIAB CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1 225640113 SIXBBBZCTYEYBP-OAHLLOKOSA-N 344.480 4.148 0 40 EIAB Cc1cc(C)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 225648236 SVNYKEIBGORVNU-JXMROGBWSA-N 348.490 4.083 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C 225913361 MXQSGVNHDYVCEW-IBGZPJMESA-N 334.460 4.103 0 40 EIAB O=C(NC1CCCCCCC1)c1cc2cccc(Cl)c2oc1=O 226040841 ALJLKSDFGIDBEO-UHFFFAOYSA-N 333.815 4.289 0 40 EIAB CO[C@H](CNC(=O)c1ccccc1SC)c1cc2ccccc2o1 245130881 VCOUWOLXTZPGIP-QGZVFWFLSA-N 341.432 4.272 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(Cl)c1 408705345 CPYSCWNBXCOJSH-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB CCN1C(=O)CC[C@]12CCCN(Cc1ccc(C(C)C)cc1)CC2 585100005 CGWHBWOYWYHLDB-NRFANRHFSA-N 328.500 4.177 0 40 EIAB CO[C@H]1CC2(CCN(C(=O)c3ccc(C)o3)CC2)c2cc(C)ccc21 2055806619 ARIOYWPZLDOCRZ-IBGZPJMESA-N 339.435 4.162 0 40 EIAB C[S@@](=O)(=NC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 161055 PRVJQCSVSQRYHB-NRFANRHFSA-N 344.223 4.077 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccco1 283064 KPRUPKQGYVQBJC-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 413649 UBJVMLSEMNZMQP-UHFFFAOYSA-N 330.482 4.207 0 40 EIAB COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O 430339 CZQVGVHKGDWNAT-RIYZIHGNSA-N 348.185 4.347 0 40 EIAB CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 503437 HQAKKJUVFWXIKJ-SFHVURJKSA-N 345.398 4.098 0 40 EIAB Cc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 586886 LYLRMPBQEVOSPY-MDZDMXLPSA-N 338.476 4.447 0 40 EIAB CCCCc1c(C)c2ccc(O[C@H](CC)C(=O)OCC)cc2oc1=O 1833649 HATHUPRNLIEKML-QGZVFWFLSA-N 346.423 4.165 0 40 EIAB COc1ccc(C)cc1NC(=O)CCCOc1ccc(C(C)=O)cc1 2622508 CLQZKJXFYOIENT-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c1C 3353693 BKNYPWFALKTMLT-UHFFFAOYSA-N 339.222 4.071 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 3480065 BXPAHNWKDWCGSZ-UHFFFAOYSA-N 338.234 4.467 0 40 EIAB Cc1ccc2c(CSc3ccc4c(c3)OCCO4)cc(=O)oc2c1 3489425 OMAGVWVVAOUPPQ-UHFFFAOYSA-N 340.400 4.165 0 40 EIAB C[C@H]1CCCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)C1 3893487 PWGBPXYUGNRPLF-PXNSSMCTSA-N 331.500 4.206 0 40 EIAB COc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)cc1 4678707 OMVYICJJWAKEBY-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB Fc1ccc(-c2cn3c4ccccc4n(CCN4CCCC4)c3n2)cc1 5757311 FTKDSLCZAWWEIS-UHFFFAOYSA-N 348.425 4.191 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1 6906336 OKGQUYYBDNNFNN-UHFFFAOYSA-N 327.424 4.400 0 40 EIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2ccccc2c1 7645222 VNGFMWSGAZACDG-UHFFFAOYSA-N 347.414 4.273 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(F)cc1F 8076472 POZQYVYNXRTPAT-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB Cc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 8184958 SXDKLWCNDGLUQF-INIZCTEOSA-N 329.469 4.015 0 40 EIAB C[C@H]1C[C@H](Sc2ncnc3sc(-c4ccccc4)cc23)C(=O)O1 8278521 XSTPNUFRDUMSFH-HZMBPMFUSA-N 342.445 4.154 0 40 EIAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCc2ccccc21 8343893 YAVRFZQTYZZKNB-UHFFFAOYSA-N 339.398 4.228 0 40 EIAB Cc1[nH]c2ccccc2c(=O)c1SC(F)(F)[C@@H](F)C(F)(F)F 8578271 YPVDGOLAQRWMKP-NSHDSACASA-N 341.276 4.422 0 40 EIAB C[C@H](NC(=O)CCCc1cccs1)c1ccc(-n2ccnc2)cc1 9156589 OFWRGYUEWNETIS-HNNXBMFYSA-N 339.464 4.134 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@@H]2CCCC[C@@H]21 9501714 MQSBCVOVHXHCCW-HNDWKTGHSA-N 341.451 4.042 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)c3cccnc3)n2)c1C 10892249 SYNWVZCXENTHDY-UHFFFAOYSA-N 340.452 4.286 0 40 EIAB CCn1c(-c2ccccc2)cs/c1=N\c1ccc(NC(C)=O)cc1 12558722 DVEPDEZIUMMEQU-VZCXRCSSSA-N 337.448 4.427 0 40 EIAB CC(C)c1ccc([C@@H](O)CSc2nnc(C3CC3)n2C2CC2)cc1 12894731 JMEOAOMQOWGGPM-KRWDZBQOSA-N 343.496 4.440 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCCc3ccccc32)c1C 13947849 MWNHYHMRJZHKFP-UHFFFAOYSA-N 329.465 4.062 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 15519702 KTMBZXGORUROAD-OLZOCXBDSA-N 333.428 4.192 0 40 EIAB FC(F)(F)c1ccc(NC(=S)NCCc2cccs2)cc1 17067721 HFLPMITXWNVDTJ-UHFFFAOYSA-N 330.400 4.296 0 40 EIAB Cc1nc(-c2c(-c3ccc(O)cc3O)noc2C(F)(F)F)cs1 17747527 FYZLHMNCPBFJAV-UHFFFAOYSA-N 342.298 4.204 0 40 EIAB CCCCc1c(C)[nH]c2c(-c3ccc(Cl)cc3)c(C)nn2c1=O 18240867 GLPMELFJUZZADZ-UHFFFAOYSA-N 329.831 4.302 0 40 EIAB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c1 28267325 JMGHXLABYDHPGT-WOJGMQOQSA-N 328.371 4.394 0 40 EIAB COc1ccc(CN[C@@H](C)c2cc3cccc(OC)c3o2)cc1OC 28925818 ISWPEKIWRPQSAZ-ZDUSSCGKSA-N 341.407 4.309 0 40 EIAB Cc1ccccc1OCC(=O)Nc1ccc(OC2CCCC2)cc1 29024648 MOLVMWPSTSHZSK-UHFFFAOYSA-N 325.408 4.334 0 40 EIAB CC(C)C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 29106784 RCSOMSYHGIEFLB-SXAWMYDMSA-N 337.419 4.332 0 40 EIAB CCOCc1ccccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 30180219 VWNSJBFZZKNZJN-UHFFFAOYSA-N 336.435 4.251 0 40 EIAB FC(F)Sc1ccc(N2CNC(c3ccccc3)=NC2=S)cc1 31903700 NUARKUOGGKBGBQ-UHFFFAOYSA-N 349.431 4.100 0 40 EIAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CC=CCC2)cc1 32908705 WWVPITBZNGBYGQ-HXUWFJFHSA-N 348.490 4.388 0 40 EIAB CC(C)c1nccn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 35170676 AYUJMNUGFBMKSR-LJQANCHMSA-N 336.435 4.113 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 40119997 ORRAYMAYKUNCRC-UHFFFAOYSA-N 327.771 4.317 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccccc2F)oc2c1C(=O)CC(C)(C)C2 40141150 UQNFECCTRHPCOK-GFCCVEGCSA-N 343.398 4.373 0 40 EIAB COc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 40913189 PFBBXVQFYRKITF-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 43357076 WEPGTKVGOIVEQA-HNNXBMFYSA-N 337.876 4.134 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)ccc1OC 44849123 SWGNURBJBFWIIQ-GOSISDBHSA-N 327.424 4.417 0 40 EIAB O=c1sn(CN(C2CC2)[C@H]2CCc3ccccc32)c2ccccc12 58171432 QSLVIODCHUAPKJ-SFHVURJKSA-N 336.460 4.172 0 40 EIAB c1ccc2oc(CSc3nc(CCC4CCCC4)n[nH]3)nc2c1 58381531 BLNYUXZBUZXOBO-UHFFFAOYSA-N 328.441 4.361 0 40 EIAB CC[C@H](C)c1csc(N(C)C(=O)c2cccc(-n3cccn3)c2)n1 71909654 WVGFNCSOXBLQNI-ZDUSSCGKSA-N 340.452 4.119 0 40 EIAB CCN(CC)c1cc(NC(=O)c2ccc(C)cc2)c(Cl)cc1N 72229050 IERKMQMRPBQKBX-UHFFFAOYSA-N 331.847 4.329 0 40 EIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccc(Br)c(Cl)c1 95096015 GERLPSVNIVEVPF-XCBNKYQSSA-N 345.542 4.121 0 40 EIAB COCc1csc(NC(=O)N(Cc2ccccc2F)C2CCC2)n1 95412343 JWSNRIQMAHUGTL-UHFFFAOYSA-N 349.431 4.015 0 40 EIAB Cc1ccccc1[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 95967943 PGRAQIQGWPHNQE-MGPUTAFESA-N 343.492 4.200 0 40 EIAB NC(=O)N1CCC(N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 95969358 XOVOTBMJJVRREV-SFHVURJKSA-N 349.906 4.094 0 40 EIAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3COC[C@H]3[C@@]1(Cl)C2(Cl)Cl 100353282 CKPWHXBGVRURFU-FLMVNYLGSA-N 342.864 4.095 0 40 EIAB in-vitro Cc1cc(S(=O)(=O)NC2CCCCCC2)c(Cl)cc1Cl 107479288 NCEGGXYELGKXDU-UHFFFAOYSA-N 336.284 4.303 0 40 EIAB CSc1ccccc1C(=O)N(Cc1cccs1)C1CCOCC1 206674122 DTEQPZPBPYJBSE-UHFFFAOYSA-N 347.505 4.291 0 40 EIAB O=C(c1noc2c1CCCC2)N1CCCC[C@@H](c2ccc(F)cc2)C1 206874724 XQYSCXSVMKJBBW-OAHLLOKOSA-N 342.414 4.102 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCS[C@@H](c2ccco2)CC1 207008716 XCRWMEFVFNRQJN-QGZVFWFLSA-N 327.405 4.346 0 40 EIAB Cc1cccc(CSCCNC(=O)CCc2ccc(F)cc2)c1 223369970 RRRJGNIPQYHJDF-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB CC(C)CSc1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1 224182742 YHRUSKKCRMCQIS-VMPITWQZSA-N 337.445 4.077 0 40 EIAB CCSc1nnc(NC(=O)CCc2cccc3ccccc23)s1 224231022 CSEXOSUIGALICW-UHFFFAOYSA-N 343.477 4.375 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)CCCC2 224751990 DRKLBEHYFJAOEA-QGZVFWFLSA-N 337.463 4.082 0 40 EIAB Cc1c(Cl)cccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225070662 ZKUGFZGFKWWGIW-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)nc1 225661732 YYOXKEFQCWWBPG-HNNXBMFYSA-N 327.497 4.433 0 40 EIAB CCOCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1 225716762 QDZORWLZKJCHNB-OXJNMPFZSA-N 349.471 4.026 0 40 EIAB Cc1ccc(C)c(NC(=S)NCCOc2ccccc2Cl)c1 225779255 UQYYOHVMSWURHO-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB CCOC(=O)c1cc(NC(=O)CCc2ccc(F)cc2)ccc1Cl 225876258 CIDUJJDOGCQKGJ-UHFFFAOYSA-N 349.789 4.227 0 40 EIAB CCC[n+]1ccc(-c2nc3ccc(Br)cc3s2)cc1 226776514 DPJLWAPZRNJTNQ-UHFFFAOYSA-N 334.262 4.423 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 244909784 AVHRWXFDQWOCOK-HNNXBMFYSA-N 337.419 4.121 0 40 EIAB O=C(Cc1ccccc1Cl)NCCCc1cc2ccccc2o1 390831743 UMXJFEPYYPSFDS-UHFFFAOYSA-N 327.811 4.378 0 40 EIAB O=C(C1(c2ccnc(Cl)c2)CC1)C1(c2ccnc(Cl)c2)CC1 675082181 IINNKKQOJIYTSC-UHFFFAOYSA-N 333.218 4.116 0 40 EIAB COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1O 43203 CREGCYTVIUZLBZ-UHFFFAOYSA-N 346.430 4.426 0 40 EIAB O=C1c2ccccc2CCC[C@@]12O[C@H]2c1ccc(Br)cc1 163853 FFIGGUZNKZJROU-ZWKOTPCHSA-N 343.220 4.478 0 40 EIAB O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1 338405 RCMSYWVSXHNZSE-UHFFFAOYSA-N 343.839 4.229 0 40 EIAB Fc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 526261 TZKNYNZUQAYZSG-JKSUJKDBSA-N 328.778 4.217 0 40 EIAB COCc1cc(Sc2ccc(OC)cc2)nc(-c2ccccc2)n1 1388956 FKDKSIYTKAROHG-UHFFFAOYSA-N 338.432 4.450 0 40 EIAB CC1(C)Cc2cc3c(cc2C(SCc2ccccc2)=N1)OCCO3 1421756 NGMSSYNFHBEZEI-UHFFFAOYSA-N 339.460 4.473 0 40 EIAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1472515 NAMDWRSLZOENIE-OAHLLOKOSA-N 349.217 4.046 0 40 EIAB CCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 1927066 QNGQFQPAEWMMFT-UHFFFAOYSA-N 327.815 4.030 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc(Cl)c1 2644845 YFLVWRMGAAHSNL-UHFFFAOYSA-N 326.783 4.233 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)nc2ccccc12 2656448 IFEIEQPLJVJJIL-UHFFFAOYSA-N 349.386 4.111 0 40 EIAB Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C)c(C)c3)C2=O)c1 3647935 ZFYHEXJQGWGIOY-INIZCTEOSA-N 326.421 4.250 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 4046487 BMSMPYBXRWNIIJ-KZQQKZESSA-N 331.500 4.103 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1C 4088807 XYAZJAILYVPIBM-UHFFFAOYSA-N 329.469 4.221 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 4484935 IQKBAQYTPYKTKN-JQWIXIFHSA-N 337.876 4.003 0 40 EIAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1O 4816006 AWZBJEQFZJWEII-UHFFFAOYSA-N 341.476 4.031 0 40 EIAB O=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)cc1Cl 4986573 RHMPSDDBKNDTEL-UHFFFAOYSA-N 337.231 4.327 0 40 EIAB CC(C)(C)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 5253515 AYEKPJYZLNIPBK-UHFFFAOYSA-N 326.827 4.396 0 40 EIAB COc1ccc(-n2c(SCC(C)C)nnc2-c2ccncc2)cc1 5363963 WKMRSPMOPQTKAA-UHFFFAOYSA-N 340.452 4.086 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(Cl)c1 5441647 XZBCYQAQMOWTRO-UHFFFAOYSA-N 328.799 4.109 0 40 EIAB CC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 5557419 PYRXKLRXEJAGSG-UHFFFAOYSA-N 325.408 4.339 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1 5746256 MGWXTLZDLOBNTP-UHFFFAOYSA-N 337.444 4.487 0 40 EIAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 6258724 XJWDPVXOXWEEIU-LBPRGKRZSA-N 348.240 4.418 0 40 EIAB Cc1ccc(Oc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 7002957 HTSBLURILMTMRV-UHFFFAOYSA-N 331.437 4.008 0 40 EIAB CC(C)CCN[C@@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7738584 MMMLINKOVFSOMY-ZDUSSCGKSA-N 341.480 4.348 0 40 EIAB CCc1noc(C)c1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 8025996 LQWFWWJSNDOBAA-ZHACJKMWSA-N 333.391 4.363 0 40 EIAB CN(C(=O)c1ccccc1)c1ccccc1C(=O)NC1CCCCC1 8375229 OYWFHCCGUBYOPG-UHFFFAOYSA-N 336.435 4.026 0 40 EIAB Cc1ccccc1-c1nn2c(CSc3ccccc3)nnc2s1 8393095 HPCNTYFUSVQWOJ-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1 10646107 URUDSLWBRMTTEQ-SNVBAGLBSA-N 342.197 4.389 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccncc1 12539121 MRXKRNKXWSHTOQ-GOSISDBHSA-N 347.418 4.033 0 40 EIAB COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCC3)cc1 12760666 DSSQFPZHMJPSMA-UHFFFAOYSA-N 325.819 4.040 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1c[nH]c2ccccc12 12915688 WPHRIFUQJHQHOF-UHFFFAOYSA-N 329.197 4.491 0 40 EIAB CCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1 13127376 MOAGFOPIQFFLOV-UHFFFAOYSA-N 340.379 4.290 0 40 EIAB Cc1ccc(NC(=O)[C@H](Sc2ncccn2)c2ccccc2)cc1 14075812 DKSASEDGYMLTCR-QGZVFWFLSA-N 335.432 4.257 0 40 EIAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCc2sccc2C1 14161236 MOVQVLSMQISCCT-UHFFFAOYSA-N 329.465 4.144 0 40 EIAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 14367518 COIUPCGBUOCGOH-LBPRGKRZSA-N 346.789 4.009 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1Br 14664037 WMMOHACVUSFIGX-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB COc1ccc(-c2nc3[nH]nc(C)c3c3cc(OC)c(OC)cc23)cc1 19688960 IYOOXRXHFNVJCJ-UHFFFAOYSA-N 349.390 4.112 0 40 EIAB CCn1c2ccccc2c2cc(NC(=O)c3cnc(C)nc3C)ccc21 19937124 FJBZAQMMLHCKQE-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccccc1 20042818 WZKQNAQPDSXPHP-KDOFPFPSSA-N 329.465 4.443 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccccc1 20457547 UKLDNYLYEPMYOJ-RTBURBONSA-N 327.424 4.120 0 40 EIAB Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccn3)s2)cc1 22586635 LSKFCQFRFNXFLC-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Cc1ccc(-c2nn(CN(C3CC3)[C@H](C)C(C)C)c(=S)[nH]2)cc1 32932601 LRIIFTQJJFJGSG-CQSZACIVSA-N 330.501 4.383 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1csc(Cc2ccccc2)n1 33145023 YRSHTQDVLWFVTO-AWEZNQCLSA-N 334.444 4.325 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2ccsc2)C1 40287845 XLQZYFPGFBNIQB-ZDUSSCGKSA-N 331.347 4.336 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)[C@@H]1CC=CCC1 46246299 DDBHJVVDYXUCBQ-GFCCVEGCSA-N 335.329 4.186 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)NCCSC2CCCC2)cc1C 47971618 VKZLPUYIRDAHRS-UHFFFAOYSA-N 349.500 4.141 0 40 EIAB O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccccn1 52489116 PWUROIOAJOAMSG-UHFFFAOYSA-N 344.374 4.087 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N1CCC(c2ccc(O)cc2)CC1 55123930 ISBMKNXMZBPYDB-UHFFFAOYSA-N 348.446 4.212 0 40 EIAB COc1c(Br)cc(C(C)C)cc1C(=O)N1CCCCC1 57339372 WXROCCOVQWBUAZ-UHFFFAOYSA-N 340.261 4.207 0 40 EIAB COC(=O)c1cccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)c1 67339825 PHZFZNLJUADFNC-CMDGGOBGSA-N 335.359 4.180 0 40 EIAB Cc1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCOCC2)cc1 72265203 GGZWBHFLOMAWPU-UHFFFAOYSA-N 343.854 4.013 0 40 EIAB Cc1ccc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)s1 76091508 CBQHMLIISWJCCJ-UHFFFAOYSA-N 334.388 4.197 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 84028849 PKODJPPMFIXXLY-CTNGQTDRSA-N 328.415 4.343 0 40 EIAB CC(=O)N(C)c1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 84671289 HHYJZXSMJULPPR-UHFFFAOYSA-N 340.354 4.042 0 40 EIAB Cc1ncc(Cl)c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)n1 89730046 GAMDLXIDAOBTJP-UHFFFAOYSA-N 342.830 4.301 0 40 EIAB CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1cccc(F)c1 96388350 QERLXDBKJFPAFA-VEGGFIAOSA-N 345.439 4.065 0 40 EIAB CCC1(CC)Oc2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2O1 97105213 UVVUOGYWVLSHIH-OAHLLOKOSA-N 339.391 4.089 0 40 EIAB Cc1n[nH]c(C)c1[C@H]1CCCN1c1ncnc2c1oc1ccccc12 97162100 FARTZHDGMGADER-CQSZACIVSA-N 333.395 4.057 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 100637181 DWXMVMPBFRTSFY-WGBDABJCSA-N 340.236 4.143 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1C(C)C 103114762 LPLBSHKIEAEEOC-TVKQPGBESA-N 329.484 4.438 0 40 EIAB Brc1ccc(N2N=N[C@H]3[C@@H]4C[C@H]([C@H]5CCC[C@@H]54)[C@H]32)cc1 104058813 HUFCROBNEVDAJU-UGYDUONOSA-N 332.245 4.440 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccccc1OC 224107980 GYNHJDLMWBOXMR-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 224449248 MVOMEBKTWNNKGH-MRXNPFEDSA-N 337.463 4.384 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(C)cc2)c1 225299091 JJVRVKXYVMJKIF-INIZCTEOSA-N 325.452 4.204 0 40 EIAB Cc1cc(C)cc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225842673 VNKNMMYQNFRKRQ-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1F 226254652 JOURRSGNILXUQZ-ZDUSSCGKSA-N 327.403 4.039 0 40 EIAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260755815 BUONUFUSWZBZFJ-COXVUDFISA-N 326.469 4.053 0 40 EIAB C[C@H](c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)C(F)(F)F 583651422 LEQQEUPFNCPMDR-SNVBAGLBSA-N 337.297 4.303 0 40 EIAB COc1ccc(/C=C(\C)C(=O)Nc2ccc(N(C)C)cc2C)cc1F 584908561 COXOEEMTPKBEDF-GXDHUFHOSA-N 342.414 4.251 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CCn1c(=O)sc2ccccc21 246091 QCKQHMNGSDCFBR-UHFFFAOYSA-N 346.839 4.054 0 40 EIAB CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1C(C)C 410493 MRSMGSNPAUIRQY-UHFFFAOYSA-N 346.500 4.105 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 1993309 TXRFAWKCEUMFQE-UHFFFAOYSA-N 339.435 4.396 0 40 EIAB CCC[C@H](C)NCC(=O)Nc1cc2oc3ccccc3c2cc1OC 3291328 JVXXLMNTHKEIPM-ZDUSSCGKSA-N 340.423 4.311 0 40 EIAB CC[C@H](C(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1)c1ccccc1 3628940 VCSLAJAFVDYRDD-DLBZAZTESA-N 345.826 4.166 0 40 EIAB C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 3873362 LKAJKIOFIWVMDJ-LOVDNMFISA-N 328.500 4.118 0 40 EIAB world C=C=Cn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 4426951 BECNZLSJJFKXMU-KRWDZBQOSA-N 343.430 4.375 0 40 EIAB O=C(NCc1ccccc1)c1csc(Nc2ccccc2Cl)n1 4699177 VPNQMLIQHNCHMI-UHFFFAOYSA-N 343.839 4.470 0 40 EIAB COc1ccc2c(c1)O[C@@H](C)C1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O 4821181 LRTUTQVESNZNCY-VTOVKPRRSA-N 340.419 4.292 0 40 EIAB Cc1cc2nc(S/C(=C\c3ccc(O)cc3)C(=O)O)[nH]c2cc1C 5500707 XWGISTOWMYMXEB-SXGWCWSVSA-N 340.404 4.103 0 40 EIAB CCOc1ccccc1COC(=O)c1nc(-c2ccccc2)oc1C 5539523 VGZUHDRZGRMQCW-UHFFFAOYSA-N 337.375 4.406 0 40 EIAB COc1ccccc1/N=C1/NC(=O)/C(=C/C=C/c2ccccc2)S1 5662123 MYACZZMINVYTSA-DESBJYGPSA-N 336.416 4.143 0 40 EIAB O=C(NCCOc1cccc2ccccc12)c1ccccc1Cl 5876649 RWLNPYJBPUUXIR-UHFFFAOYSA-N 325.795 4.302 0 40 EIAB Sc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1 6557612 UCVZKUVQEDHDBP-UHFFFAOYSA-N 344.871 4.075 0 40 EIAB O=C(NCCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CC1 6608794 YOUZAJFJASLFSZ-UHFFFAOYSA-N 334.246 4.384 0 40 EIAB CC(C)Cc1nn2cc(-c3cccc(Br)c3)nc2s1 6748246 YPDJIROFOMIPBI-UHFFFAOYSA-N 336.258 4.419 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CSc2nc3ccccc3o2)C1 7780569 IXAKJWOCSHFBQV-DJJJIMSYSA-N 344.480 4.347 0 40 EIAB Cc1sc2nc(CN3CCCC3)nc(NC3CCCC3)c2c1C 8192044 DPZOUQIZUIVVPS-UHFFFAOYSA-N 330.501 4.258 0 40 EIAB CN(Cc1ccccc1F)C(=O)c1ccc(-c2ccccc2F)o1 8305515 USPYLIIZBWDQJL-UHFFFAOYSA-N 327.330 4.497 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 8558847 MZTTZDUARCPNSD-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)no1 9203931 BYAXGINHGNFGSS-UHFFFAOYSA-N 327.409 4.482 0 40 EIAB O=C(Nc1nc(SCc2ccccc2)ns1)[C@H]1CC=CCC1 9502176 SFADJSFERDYLRI-ZDUSSCGKSA-N 331.466 4.125 0 40 EIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc2ccccc2o1 9512756 IHPJTQIEFDSQCB-UHFFFAOYSA-N 340.467 4.351 0 40 EIAB O=C(Cc1ccccc1Cl)NCCOc1ccc2ccccc2c1 10993338 BYQRLUVSZSMDGX-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB O=C1NC2(CCCCC2)[C@@H]2CCCC[C@@]2(O)N1c1ccc(Cl)cc1 12322823 XVTCQWXQPXUOLT-LPHOPBHVSA-N 348.874 4.451 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)[nH]n1 12550887 QIMBESBRXRVULX-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB C[C@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C[C@@H](C)O1 12586497 ZWJRXKLWRAPITF-TXEJJXNPSA-N 343.427 4.111 0 40 EIAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)c1ccc[nH]1 12604162 NKEATBMDUDDHMP-UHFFFAOYSA-N 337.448 4.054 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2oc(=O)ccc2c1 12894375 GEEBZAOSSLSEAA-UHFFFAOYSA-N 346.386 4.236 0 40 EIAB biogenic CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1C 14139654 CCWGGJLKHBYVEK-ZHACJKMWSA-N 341.407 4.063 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2cccs2)CC3=O)cc1 14164232 KWAPGWDIDGEVAB-ZDUSSCGKSA-N 338.432 4.164 0 40 EIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 14219131 IHWGDTITASMPDF-OAHLLOKOSA-N 339.460 4.442 0 40 EIAB O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 15646805 BQOYEVCRFOUFGW-OAHLLOKOSA-N 326.396 4.413 0 40 EIAB CCC[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 16420738 DSDSXWCTEZRXQP-MAUKXSAKSA-N 342.508 4.325 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 17270844 CRFYAIIFIFFVKX-UHFFFAOYSA-N 338.407 4.003 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1nc2ccccc2[nH]1 17304402 PTEPLVFHOXLTOR-UHFFFAOYSA-N 340.433 4.309 0 40 EIAB CCCCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736211 RPUXYYSLWSCANI-UHFFFAOYSA-N 328.412 4.099 0 40 EIAB CSc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 20029795 XOMDBWRJCACIKC-HNNXBMFYSA-N 349.521 4.373 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20108682 HZWYYDVLVMUZCY-HOTGVXAUSA-N 349.430 4.493 0 40 EIAB Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3ccccc3n2)o1 21729608 TYIUSLQRFCIEFP-AWEZNQCLSA-N 337.375 4.139 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1cccs1 22131742 MYQWQFNYMXUGPJ-SECBINFHSA-N 326.215 4.081 0 40 EIAB COc1ccc(CN2CN(C3CCCCC3)CSC2=S)cc1 23153920 QKNFSFIBDGRMOI-UHFFFAOYSA-N 336.526 4.079 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 24595418 QHZUCDXZXTWNQQ-BEFAXECRSA-N 327.424 4.038 0 40 EIAB C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1cc2ccccc2o1 25410415 SQQDNUAZRAQYGL-HZPDHXFCSA-N 348.446 4.057 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 30011837 NSLBGVINWAAEQB-GFCCVEGCSA-N 337.810 4.322 0 40 EIAB CCOP(=O)(OCC)[C@@H](/C=C(/Cl)c1ccccc1)N(C)C 32232862 WJVNYZBAAFGAGF-ZQHYZAEZSA-N 331.780 4.420 0 40 EIAB CCOc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 32501684 CCJJWTGDIJXRPJ-UHFFFAOYSA-N 349.312 4.233 0 40 EIAB Cc1ccc(NC(C)(C)c2nnnn2-c2ccc(Cl)cc2)c(C)c1 35622239 FFUAQZWGBWFLTG-UHFFFAOYSA-N 341.846 4.280 0 40 EIAB CC(C)Oc1ccc(C(=O)N(C2=NCCS2)c2ccccc2)cc1 40157844 SZPDBOABVZCGRY-UHFFFAOYSA-N 340.448 4.223 0 40 EIAB COCc1ccccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 46176778 AKGGHXQZQIZGGU-INIZCTEOSA-N 347.867 4.453 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc2ccccc2o1 55740054 HAFBHBBAOKWKLV-UHFFFAOYSA-N 348.402 4.311 0 40 EIAB CC(C)OCCCN(Cc1ccncc1)Cc1cccc2cccnc12 57797109 HGCWHUFPKINJBP-UHFFFAOYSA-N 349.478 4.447 0 40 EIAB CC[C@H](C)C(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58419636 VYPNBFGQGDMZEK-LBPRGKRZSA-N 347.409 4.107 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nccs2)C1 65519151 VSAPVOQTZVWPBE-LBPRGKRZSA-N 340.370 4.182 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2cc(C3CC3)nc3ccccc23)on1 69351226 WBPGYOIKDDQZQY-LJQANCHMSA-N 347.418 4.386 0 40 EIAB Cc1c(NC(=O)N(C)Cc2ccco2)cccc1OCC(F)(F)F 69688442 PJCZXPZSJUINGJ-UHFFFAOYSA-N 342.317 4.193 0 40 EIAB C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]1c1ccsc1 71904285 JNXFHXBIGYBAHO-SWLSCSKDSA-N 326.425 4.091 0 40 EIAB COc1cccc([C@H](C)CC(=O)N[C@H](C)c2csc(C3CC3)n2)c1 84544977 GEZPZOAXORQDCI-CHWSQXEVSA-N 344.480 4.400 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C 84671163 IAHRTAWQLDSBGB-FZMZJTMJSA-N 346.496 4.475 0 40 EIAB Cc1c(O)ccc2c(CN(C)Cc3ccc(Cl)cc3)cc(=O)oc12 89537084 BFNGQARTKHMTHO-UHFFFAOYSA-N 343.810 4.092 0 40 EIAB COc1ccc(Br)c(C=O)c1OCc1ccccc1C 95095009 HPKUWZQSLSOVLY-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB C[C@]1(NCc2cnn(-c3ccc(F)cc3)c2)CCCc2ccccc21 95397861 WZUFCTKSOZDLLX-NRFANRHFSA-N 335.426 4.353 0 40 EIAB O=C(Nc1cnc(C2CC2)nc1)N1CCCCC[C@H]1c1ccco1 95399135 GCRQAYMGJNUXKH-HNNXBMFYSA-N 326.400 4.096 0 40 EIAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cccc(Cl)c1 96382630 ANUTWZJJIXCBBM-UHFFFAOYSA-N 338.794 4.457 0 40 EIAB Clc1ccc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)cc1 100209598 QZVRQINABMACBS-KTKRTIGZSA-N 332.194 4.052 0 40 EIAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102221272 JZXITSBQMHMWES-QPSCCSFWSA-N 328.481 4.170 0 40 EIAB CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102669096 NCYLEMOPPZOIQQ-OAHLLOKOSA-N 340.452 4.308 0 40 EIAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1[C@@H]1C[C@H]2C=C[C@H]1C2 104871585 BIZSKJWQSUHLKB-ZYSHUDEJSA-N 344.414 4.372 0 40 EIAB Cc1nn(Cc2ccccc2)c(N)c1-c1cccc(Br)c1 199749685 NCOBSGZVCDLSPN-UHFFFAOYSA-N 342.240 4.252 0 40 EIAB O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccccc1F 211082732 OPEDGULQJZWJGU-UHFFFAOYSA-N 344.367 4.033 0 40 EIAB Cc1ccc(SCC(=O)NCCOc2ccccc2C(C)C)cc1 223745804 XHFREFOHWLQCLS-UHFFFAOYSA-N 343.492 4.406 0 40 EIAB Cc1ccc(OCCNC(=O)CCSCc2ccccc2)c(C)c1 224278468 XVYDAPBDROZKOB-UHFFFAOYSA-N 343.492 4.122 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCC)c(C)c2)c1C 224736184 LDQYERWOJOZDJB-UHFFFAOYSA-N 341.407 4.131 0 40 EIAB Cc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1Cl 225474392 IVXWEQPBDWJRDW-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2oc1=O 226041170 SZBNNAVESVYSLJ-UHFFFAOYSA-N 348.185 4.030 0 40 EIAB O=C1N/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1 409197019 ZXROZLXAJYNEGJ-AQTBWJFISA-N 344.370 4.040 0 40 EIAB c1ccc2c(c1)C[C@H](c1nc(COc3ccc4ccccc4c3)no1)O2 544270128 VZIHVVWGOVEJOH-LJQANCHMSA-N 344.370 4.478 0 40 EIAB CCc1ccc([C@H](CN[C@H](C)c2cncnc2C)N(CC)CC)cc1 578247246 PHWSUKXVKIEQJO-IERDGZPVSA-N 340.515 4.081 0 40 EIAB CN(C)CCc1ccc(Nc2ncnc3cc(Cl)ccc23)cc1 594704454 YFSDNCALNQSNPS-UHFFFAOYSA-N 326.831 4.131 0 40 EIAB O=C(N[C@H]1CCCOCC1)[C@H](c1ccccc1)c1ccc(Cl)cc1 613277602 HQWKTMVFVVRXNA-RBUKOAKNSA-N 343.854 4.157 0 40 EIAB Cc1c(NC(=O)NC[C@@H]2CCCC23CC3)cccc1-c1ncco1 626571088 PYQRMWZHKSWBPM-AWEZNQCLSA-N 325.412 4.352 0 40 EIAB CC(C)(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 209954 DPLSPECGBKTIFT-UHFFFAOYSA-N 338.520 4.482 0 40 EIAB COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519051 WSCCZHJZVDZUSC-QPOHIBMRSA-N 344.451 4.164 0 40 EIAB COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 816276 PMHMUDINDCCSAE-OAHLLOKOSA-N 325.408 4.301 0 40 EIAB COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c(OC)c1 817739 MHUSQFUDTXFACO-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB Cc1cc(C)c2c(N)c(C(=O)Nc3cc(Cl)ccc3O)sc2n1 1917309 LTXZQAWURWPZIB-UHFFFAOYSA-N 347.827 4.107 0 40 EIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1 1993771 NAMDRKOPRNRIGZ-UHFFFAOYSA-N 349.361 4.288 0 40 EIAB CCCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C 2052166 VLMKFVHRWIISDX-UHFFFAOYSA-N 343.290 4.069 0 40 EIAB COc1ccccc1-n1cnnc1SCc1ccccc1Cl 2641456 QYLRTLVBBFTMGC-UHFFFAOYSA-N 331.828 4.222 0 40 EIAB CCCCC(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 3295186 HCFMHDYQRFVRDM-UHFFFAOYSA-N 327.380 4.151 0 40 EIAB CCC(=O)c1ccc(OC(=O)c2c(-c3ccccc3)noc2C)cc1 3603331 XWQOIPMRDGFFEN-UHFFFAOYSA-N 335.359 4.462 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)cc1 4695022 DTKJJCOVIJCALE-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1 4735161 QCPCCUXIXPBWBA-UHFFFAOYSA-N 344.374 4.177 0 40 EIAB CCc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 4735535 GGQIQDKNFLJLKB-IBGZPJMESA-N 347.418 4.061 0 40 EIAB CCc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2c(OC)cccc23)c1 4852768 DEVUXWDMUUMILV-JXFKEZNVSA-N 338.407 4.027 0 40 EIAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 4867424 HHGCKHHCZAOPSU-FPOVZHCZSA-N 345.377 4.463 0 40 EIAB CCCC[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc(C)cc1 4898626 VSQMRQXOZRCQNW-INIZCTEOSA-N 345.464 4.089 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1cccc(Br)c1 5176815 AKZFRBCOFKVCHD-AWEZNQCLSA-N 348.265 4.416 0 40 EIAB Nc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(C(F)(F)F)n1 5427648 DRHHEYZYTXGBCM-UHFFFAOYSA-N 347.300 4.009 0 40 EIAB COc1ccc2c(CSc3nc4ccccc4o3)cc(=O)oc2c1 5628739 GDDXBCLRRNTNHQ-UHFFFAOYSA-N 339.372 4.235 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Sc2ncnc3sccc23)c1 6115482 SULXMNBNQGELQR-LLVKDONJSA-N 329.450 4.119 0 40 EIAB COc1ccc(CCNCC[C@@H](c2ccco2)C(C)C)cc1OC 6760422 ZKBZPCVDEXRTNM-QGZVFWFLSA-N 331.456 4.259 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc3ncccc23)cc1 6857224 JQUBBUZNRZVTTO-UHFFFAOYSA-N 348.402 4.235 0 40 EIAB CCOc1cccc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc12 6868010 DXPSXFMUPOUDCL-UHFFFAOYSA-N 348.358 4.217 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)o1 7194387 POIYVEWDGXEYJK-UHFFFAOYSA-N 344.392 4.142 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1F 7922332 SAUGSVVSRCVQOP-GFCCVEGCSA-N 343.427 4.067 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(F)c(Cl)cc1Cl 8060151 UZWSOTWWWBQGLZ-UHFFFAOYSA-N 342.153 4.156 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cc1OC 9894962 XRQMQPGFHHTUSP-YLZCUGDYSA-N 337.419 4.081 0 40 EIAB COc1cccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 10542406 RSTCETDWEBJASW-UHFFFAOYSA-N 325.452 4.355 0 40 EIAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C 10544491 BQWFICICASYZJM-INIZCTEOSA-N 333.435 4.200 0 40 EIAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1 11055850 UJNHARGQKSYQGH-ZDUSSCGKSA-N 340.448 4.176 0 40 EIAB COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc(Cl)c1OC 11214041 RQOZOPHFHRUYPQ-KRWDZBQOSA-N 345.826 4.238 0 40 EIAB CCCCc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 11581875 INZLSBRIXKSEOM-UHFFFAOYSA-N 333.435 4.145 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cn(C)c2ccccc12 12527200 OYVPWTPIPQBMIB-UHFFFAOYSA-N 330.790 4.243 0 40 EIAB Cc1ccc(OCc2nc(C(=O)N(C)c3ccccc3)cs2)cc1 12740500 HPAUPMOGSOWQHB-UHFFFAOYSA-N 338.432 4.307 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)CSc2ccccc2)c1 12767515 AKSNREJVOVLUPP-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB CCc1ccccc1NC(=O)c1ccccc1OC[C@H]1CCCO1 12803326 GBYOZJMDCDEAAF-MRXNPFEDSA-N 325.408 4.059 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccc(Br)c1)c1cccs1 12919715 SVZOIVQZFRHOKO-AEZGRPFRSA-N 336.254 4.401 0 40 EIAB Cc1ccc(-n2ncc(C(=O)Nc3nc4ccccc4s3)c2C)cc1 12933284 OKLRRXLTDFTMRP-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB Cc1cccc(C)c1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619270 PSKBXEVPXHGEGX-SFHVURJKSA-N 325.408 4.114 0 40 EIAB O=C(O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 13633754 OKNRBLSNIKHGKY-UHFFFAOYSA-N 330.796 4.127 0 40 EIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 13675655 OIKSXDCDHLICHH-CQSZACIVSA-N 343.448 4.291 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 14219456 IJFALMNRMWVAOI-KRWDZBQOSA-N 331.481 4.268 0 40 EIAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 14257929 YUHXZWVXFUQAQZ-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB COC(=O)c1sc2nc(C)nc(N[C@@H](C)c3ccccc3)c2c1C 15173634 JPRUEWWPXABULF-NSHDSACASA-N 341.436 4.268 0 40 EIAB CN(CCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 17826768 CGZKJWDRMXLCKI-UHFFFAOYSA-N 337.250 4.250 0 40 EIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1 19736436 YIBBZYCIGGKGSC-GFCCVEGCSA-N 332.831 4.453 0 40 EIAB CC(C)c1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 19842633 JXLSVRCIGYLJOK-UHFFFAOYSA-N 338.520 4.303 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 20461110 CATYTCZYUSAUEO-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)o1 24030879 KNMSZCJBTZZOQF-UHFFFAOYSA-N 326.377 4.154 0 40 EIAB CCc1c(C(=O)Nc2ccccc2F)cnn1-c1cccc(Cl)c1 24489330 JRALQBYBRIJLMK-UHFFFAOYSA-N 343.789 4.480 0 40 EIAB COc1cccc(NCc2nnc(SC)n2C2CCCCC2)c1 25255658 HWIXNCJSSDWHRA-UHFFFAOYSA-N 332.473 4.126 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1cccc(Br)c1 27746014 NLBKFLGYIVGFMZ-OCHBPSSRSA-N 330.225 4.340 0 40 EIAB Cc1cc2occ(CC(=O)NCCc3ccccn3)c2cc1C(C)C 28875881 VSJSWBVLEIPLPE-UHFFFAOYSA-N 336.435 4.161 0 40 EIAB Cc1noc(C)c1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29702175 MLIDXKBZYCEVEX-OAQYLSRUSA-N 346.430 4.008 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1nc2ccccc2s1 31392094 STVTTXDFLYMONX-OAHLLOKOSA-N 348.431 4.150 0 40 EIAB Cc1ccc(-c2nn(CN(C3CC3)[C@@H](C)C(C)C)c(=S)[nH]2)cc1 32932602 LRIIFTQJJFJGSG-AWEZNQCLSA-N 330.501 4.383 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccccc3C)C2=O)cc1 33921338 UJISPERWXCGQSC-BOPFTXTBSA-N 338.432 4.409 0 40 EIAB CCOc1ccc(CCC(=O)Nc2c(F)cccc2F)cc1OCC 38771331 JUTCQPMFRVZSOS-UHFFFAOYSA-N 349.377 4.334 0 40 EIAB CC[C@H](COc1ccccn1)NCc1ccc(Cl)cc1Cl 41154150 ARZWQYHWRXWHPC-CQSZACIVSA-N 325.239 4.336 0 40 EIAB Cc1ccccc1-c1nc([C@@H](C)N2C(=O)c3ccccc3C2=O)cs1 41195301 WBIIVOYXAYLSMN-CYBMUJFWSA-N 348.427 4.476 0 40 EIAB COCCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 41294431 FPZAIVAZERZATL-UHFFFAOYSA-N 343.427 4.023 0 40 EIAB CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)cc1 49006269 OWCUJXZGFWYEDQ-UHFFFAOYSA-N 343.427 4.126 0 40 EIAB CN(C(=O)c1ccc(NC(=O)c2ccco2)s1)C1CCCCCC1 55318932 FZSXKALKBAYJNB-UHFFFAOYSA-N 346.452 4.388 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3S2)n1 65519029 JOYYNWKPCMRIIK-GOEBONIOSA-N 344.505 4.222 0 40 EIAB Cc1c(C(=O)N2CCC[C@@H](n3ccnc3)C2)sc2cccc(F)c12 69656632 GYWNHUIVYHICID-CYBMUJFWSA-N 343.427 4.023 0 40 EIAB CC(C)c1nc(C[S@](=O)Cc2cc(-c3ccccc3)no2)cs1 69810711 JJPULMSENDPLBW-HSZRJFAPSA-N 346.477 4.370 0 40 EIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1cc[nH]n1 72035934 SDXKHDJDJZBWJN-UHFFFAOYSA-N 348.381 4.268 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 72214670 ZZRUGDURCJIHPO-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB CCN(CC)c1cc(NC(=O)c2cccc(C)c2)c(Cl)cc1N 72229049 CBSZYHBAEVGADW-UHFFFAOYSA-N 331.847 4.329 0 40 EIAB CC(C)n1c(CNC(=O)c2c(F)cccc2Cl)nc2ccccc21 72288878 JRANGYGYFQMLBP-UHFFFAOYSA-N 345.805 4.340 0 40 EIAB C[C@@H](c1cccc(O)c1)N(C)c1nc(C(F)F)nc2ccccc12 72307695 CDJLQWPQOZDEGY-NSHDSACASA-N 329.350 4.470 0 40 EIAB Cc1csc([C@@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)n1 74669093 ZGHVQZRQVDUPIP-KRWDZBQOSA-N 341.480 4.277 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1cccc(Oc2cccnn2)c1 76042354 JLHKMLDHNHGZED-UHFFFAOYSA-N 349.390 4.308 0 40 EIAB CS[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 76069475 ISULTEVNCFGRGX-HUUCEWRRSA-N 331.441 4.056 0 40 EIAB CC1CCC(N(C)C(=O)NCc2ncc(-c3ccccc3)o2)CC1 79517762 BTBBRQQLBRTPAZ-UHFFFAOYSA-N 327.428 4.062 0 40 EIAB CCn1cc(CC(=O)Nc2ccnn2[C@@H](C)C2CC2)c2ccccc21 83843381 NISTYTGQQCXBKK-AWEZNQCLSA-N 336.439 4.010 0 40 EIAB CN(C(=O)Cc1cccnc1)[C@H](c1ccc(Cl)cc1)C(F)(F)F 89310255 LBJVBKPUZJKWKL-OAHLLOKOSA-N 342.748 4.040 0 40 EIAB O=S(=O)(Nc1cccc2c[nH]nc12)c1ccccc1-c1ccccc1 95948216 SXRBTEYOJGFOAL-UHFFFAOYSA-N 349.415 4.031 0 40 EIAB COC[C@H](N[C@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 95968161 CZPSIDRYUDOPTP-BZNIZROVSA-N 342.336 4.278 0 40 EIAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@@H]1C[C@H]2CC[C@H]1C2 102606349 GCLRGSOQPXHGPU-ASHKBJFXSA-N 345.826 4.001 0 40 EIAB O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1c(Cl)cccc1Cl 103105257 ADVIKGVDQKCZQQ-RKDXNWHRSA-N 330.598 4.016 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 104493153 WQVMLLJZZDUUPC-BZLDKRAPSA-N 339.564 4.383 0 40 EIAB CCCC(=O)Nc1cccc(NC(=O)Nc2ccc(OC)cc2)c1C 113554396 JXBCWCURDDDQJL-UHFFFAOYSA-N 341.411 4.386 0 40 EIAB CSc1ncccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 206989062 IQNYRLCWNNDNKD-INIZCTEOSA-N 344.505 4.124 0 40 EIAB COc1ccc(OCCCC(=O)NCc2cccc3ccccc23)cc1 222858841 SORXXODBSLQSRH-UHFFFAOYSA-N 349.430 4.324 0 40 EIAB Cc1ccccc1OCCNC(=O)CCc1ccc(C(C)(C)C)cc1 224039603 XOTFNXZJPSCDPT-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224151460 MQLPWORCYQHDEV-ROUUACIJSA-N 335.432 4.160 0 40 EIAB Cc1cc(Cl)ccc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225074023 ZSOXKQIIGXPISZ-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225358992 SYBKHCRZIBIPIU-UHFFFAOYSA-N 325.408 4.353 0 40 EIAB C[C@H]1[C@H](C)CCC[C@H]1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 245377514 LXKVABORPCYYLX-FHSNZYRGSA-N 333.431 4.359 0 40 EIAB O=C(c1cc(-c2ccccn2)no1)N1CCC[C@@H]1/C=C/c1ccccc1 390834389 XUCICBKQUYQQDP-FMQWLBJXSA-N 345.402 4.055 0 40 EIAB CC[C@@H](C)n1cc(Br)c(COCCC(F)(F)F)n1 408716350 LVQGQDJYGAEWFL-MRVPVSSYSA-N 329.160 4.086 0 40 EIAB CCCCCN1C(=O)S/C(=C\c2cccc(OCC)c2O)C1=O 409212586 RDQRXUFAHKYAJH-KAMYIIQDSA-N 335.425 4.017 0 40 EIAB COC(=O)CCCCC(=O)c1ccc(OCc2ccccc2)cc1C 575356806 BJFZZYHMLRPSFL-UHFFFAOYSA-N 340.419 4.490 0 40 EIAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 103019 UXHHAHBLWCFQDT-UHFFFAOYSA-N 328.462 4.048 0 40 EIAB C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 384374 KLIGXSGVUOCCJC-GFCCVEGCSA-N 346.814 4.200 0 40 EIAB COc1cc(-c2nc3cc(C)ccn3c2NC(C)(C)C)ccc1O 412139 JTZDHJYICBJKJO-UHFFFAOYSA-N 325.412 4.234 0 40 EIAB COc1ccc(Cl)cc1NCc1cc2cc(C)ccc2[nH]c1=O 421309 CUNQWBWKTUDYDI-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB O=C(NCc1ccco1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 425700 IUGMKBGUAPDNLM-UHFFFAOYSA-N 337.162 4.171 0 40 EIAB CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C 1530763 XLMALTXPSGQGBX-AVRDEDQJSA-N 339.479 4.276 0 40 EIAB biogenic,in-man Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1ccccc1 2767472 VLRWFPHRRFFWLL-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB COc1ccc2c(CC(=O)N[C@H]3CCCc4ccccc43)coc2c1 3375428 QNWOSEAPLYDWOJ-IBGZPJMESA-N 335.403 4.178 0 40 EIAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(C)cc1 4645880 GGKYUHITYGTQFH-UHFFFAOYSA-N 335.455 4.189 0 40 EIAB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2Cl)c(C)n1C1CC1 4915418 RSPMEBNPULUHQZ-UHFFFAOYSA-N 349.789 4.272 0 40 EIAB COc1cccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)c1 5033111 LGDZFTGCJVMMKR-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB C[C@H]1[C@@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677603 OKEDHTSICXDDKB-QVXRUGPVSA-N 348.398 4.437 0 40 EIAB O=C(Nc1cc(Cl)ccc1O)c1ccccc1Br 6527354 HRRPVLWSBUQIEW-UHFFFAOYSA-N 326.577 4.060 0 40 EIAB O=C(NCc1ccc(F)cc1)c1cccnc1Sc1ccccc1 6836873 WBRLYSBNVHEZRF-UHFFFAOYSA-N 338.407 4.302 0 40 EIAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccncc1 7264981 OOYLYDMRUWWHNX-UHFFFAOYSA-N 337.376 4.258 0 40 EIAB Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1C 7725708 IIOTZHMOBXBSQW-UHFFFAOYSA-N 338.407 4.130 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(C)o2)cc1 7778715 XPAWOBITEXUDLH-UHFFFAOYSA-N 334.419 4.388 0 40 EIAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1 7851241 QORFIDSAXILQPM-UHFFFAOYSA-N 333.844 4.119 0 40 EIAB CCc1cccc2c(CNCCn3c(C)nc4ccccc43)c[nH]c12 9613785 KYRAUVGWLFWQAA-UHFFFAOYSA-N 332.451 4.178 0 40 EIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 9988779 YYRRNJCPOMBUHQ-UHFFFAOYSA-N 333.309 4.424 0 40 EIAB C[C@@H](c1ccccc1)n1c(CNC(=O)c2ccco2)nc2ccccc21 12062232 AQIKFTKFINFKLX-HNNXBMFYSA-N 345.402 4.169 0 40 EIAB CCOc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1 12222194 QMTALEHNSDWEEO-UHFFFAOYSA-N 347.462 4.408 0 40 EIAB Cc1ccc(CC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1C 12515135 RZTIXFFHUZJRBP-UHFFFAOYSA-N 341.798 4.188 0 40 EIAB OCc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 12650810 UZFZFGRYJBNHFZ-UHFFFAOYSA-N 340.426 4.216 0 40 EIAB Cc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2o1 12744524 PDFAFNHEAFHPNC-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB CCOc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCO2 12852475 GIOMZHLLDJLBCW-UHFFFAOYSA-N 335.359 4.220 0 40 EIAB Cc1ccccc1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 12887217 WBPNPWQCOQEDMK-UHFFFAOYSA-N 346.833 4.391 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1 13169778 WLXXBTAGHHFASJ-UHFFFAOYSA-N 327.380 4.124 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 13840984 XNUJAGSAFSTNAM-UHFFFAOYSA-N 334.828 4.326 0 40 EIAB Cc1c(C(=O)NCCc2nc3ccccc3s2)oc2ccccc12 14109734 ICYVCXMUFXIKKP-UHFFFAOYSA-N 336.416 4.323 0 40 EIAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccc(Cl)nc1 16090242 AJOVUFNRDNUDMW-UHFFFAOYSA-N 345.807 4.170 0 40 EIAB Cc1ccc(S(=O)(=O)n2c3ccccc3c3ccc(O)cc32)cc1 16310780 SNJUJTJJUNAYIY-UHFFFAOYSA-N 337.400 4.046 0 40 EIAB O=C(c1ccc(Cl)nc1Cl)N1CCc2[nH]c3ccccc3c2C1 20739469 GGEDEJDDAGHHCG-UHFFFAOYSA-N 346.217 4.068 0 40 EIAB Nc1cc(Cl)ccc1NC(=O)CSc1ccc(Cl)cc1 21517418 BFIQLSINGABTPL-UHFFFAOYSA-N 327.236 4.306 0 40 EIAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(NC3CCCC3)nc21 21873511 VZZHSLFGRJGYNK-UHFFFAOYSA-N 342.834 4.115 0 40 EIAB CCCn1c(NC(=O)CCC(=O)c2cccs2)nc2ccccc21 22284837 LFJCGEZXCZSEPM-UHFFFAOYSA-N 341.436 4.109 0 40 EIAB CN(Cn1nc(NC(C)(C)C)sc1=S)[C@@H]1CCc2ccccc21 22758613 DYIOYVRREXPJOX-CQSZACIVSA-N 348.541 4.461 0 40 EIAB CC[C@H](C(=O)NCc1cccc(NC(=O)C(C)C)c1)c1ccccc1 26385074 BFHNLOCOMOQUMV-IBGZPJMESA-N 338.451 4.091 0 40 EIAB CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 26437520 XBOGALZWRXUYKL-CYBMUJFWSA-N 338.432 4.235 0 40 EIAB Cc1ccc(-c2noc(COC(=O)c3cc(Cl)ccc3F)n2)cc1 27113299 NMLPWEWEEWPPJO-UHFFFAOYSA-N 346.745 4.195 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCCCC2)cc1 27584409 FPPACSBUKSPXAP-GOSISDBHSA-N 342.508 4.404 0 40 EIAB CN(C(=O)c1cc(F)ccc1Br)[C@@H]1CCc2ccccc21 27823365 NVROFKAYPIZEDY-MRXNPFEDSA-N 348.215 4.348 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 27970359 PLQHYSWMHTVVOK-UHFFFAOYSA-N 347.418 4.003 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSc1ccc(C)cc1 30859736 VMHSJYRLAJTEMA-INIZCTEOSA-N 343.492 4.233 0 40 EIAB O=C1S/C(=C/c2cccs2)C(=O)N1CCCc1ccccc1 33448092 FCJVIBAXNUJYNY-NTCAYCPXSA-N 329.446 4.417 0 40 EIAB COc1ccccc1[C@@H]1CC(O)=Nc2nc(N3CCCCC3)sc21 36360678 HWYBOXOCNVDFPU-ZDUSSCGKSA-N 343.452 4.266 0 40 EIAB O=C(CSc1ccc2ccccc2c1)Nc1nnc(C2CC2)s1 40012830 FLZCVJIBWLLUBG-UHFFFAOYSA-N 341.461 4.300 0 40 EIAB CC(C)c1noc([C@@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1 40511403 KJECDRAJDDZQIL-LLVKDONJSA-N 348.834 4.146 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCC[C@H]1c1ccsc1 40540784 NFTMGLPTSHOFEV-INIZCTEOSA-N 342.468 4.112 0 40 EIAB CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 40714558 VAOUVGSWQMTUND-IKGGRYGDSA-N 339.439 4.050 0 40 EIAB COc1ccccc1CN(C)C(=O)CSCc1cc(C)cc(C)c1 44840597 OOXBJKXSVFYCGO-UHFFFAOYSA-N 343.492 4.204 0 40 EIAB CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1 44894206 BJWDCMRSGMBKMY-UHFFFAOYSA-N 338.382 4.072 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1ccsc1 45975967 FEQYXQGUBTUUIH-OAHLLOKOSA-N 344.436 4.278 0 40 EIAB O=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(C2CC2)CC1 48328914 FRSDJUVWHIDLEU-UHFFFAOYSA-N 349.434 4.334 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(Br)cc1F)c1ccco1 48332912 GNPPFLORPXMECK-MRVPVSSYSA-N 327.153 4.064 0 40 EIAB COc1cc([C@@H](C)NC(=O)c2ccco2)ccc1OC1CCCC1 48340145 GTXSAARODPCFAV-CYBMUJFWSA-N 329.396 4.101 0 40 EIAB CCCCCOc1ccc([C@H](C)NC(=O)c2cccnc2)cc1OC 48521148 SITVMXGGGQOOJX-HNNXBMFYSA-N 342.439 4.150 0 40 EIAB CN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(F)cc1 55750832 PDDVXFRAPITVNI-UHFFFAOYSA-N 344.367 4.009 0 40 EIAB COc1ccc(-c2nc(/C=C3/SC(=S)N=C3O)cs2)cc1 56682241 UUJYNHUSJXGYJL-IZZDOVSWSA-N 334.447 4.148 0 40 EIAB Cc1ccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 58068771 DAAXJELPQXBUED-UHFFFAOYSA-N 349.400 4.121 0 40 EIAB Cc1cc(C)cc(C2(C(=O)N(C)Cc3nc4ccccc4[nH]3)CCC2)c1 63724118 DQSUWVXZEGXPEK-UHFFFAOYSA-N 347.462 4.260 0 40 EIAB CC[C@@H](C)Sc1ccc(NC(=O)N(C)Cc2cnn(C)c2)c(C)c1 65620569 YMGRPCVQOPWRHY-CQSZACIVSA-N 346.500 4.283 0 40 EIAB CC(=O)c1cn(CCC(=O)Nc2cccc3[nH]ccc23)c2ccccc12 70666645 UJVQDEOEXVCZSB-UHFFFAOYSA-N 345.402 4.354 0 40 EIAB biogenic CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 71186281 QCFAAOIKUAOOKA-TZMCWYRMSA-N 347.846 4.142 0 40 EIAB C[C@H](c1cccnc1)N(C(=O)Nc1ccccc1-n1cccn1)C1CC1 71921459 LANKBSWWDPRNEA-OAHLLOKOSA-N 347.422 4.025 0 40 EIAB Fc1ccccc1Cc1cccc([C@H]2CCCN2C2CCOCC2)n1 72358153 NJTCABFYRLMPBH-OAQYLSRUSA-N 340.442 4.127 0 40 EIAB CCOc1cc(CNc2cc(C(=O)O)ccc2C)ccc1OC(C)C 76275740 XAFTVTIJODFBCX-UHFFFAOYSA-N 343.423 4.491 0 40 EIAB O=C(CCc1nccs1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 78712909 KVOPVBBVYYPOLU-KRWDZBQOSA-N 339.464 4.311 0 40 EIAB Cc1cc([C@@H](O)CCNC(=O)c2cc(Cl)ccc2Cl)c(C)o1 85561621 VSCCGSFCUIENTC-HNNXBMFYSA-N 342.222 4.057 0 40 EIAB C[C@@H]1CN(C(=O)c2cnc([C@H]3CCCO3)s2)c2ccccc2S1 89824726 IZTKFIDZDBWFKU-DGCLKSJQSA-N 346.477 4.136 0 40 EIAB Cc1ccc2cccc(C(=O)Nc3c(C)nn(C(F)F)c3C)c2n1 95400530 GCQIENFXTJGFDW-UHFFFAOYSA-N 330.338 4.004 0 40 EIAB Cc1nc(C)c(CNc2ccccc2OCc2cscn2)s1 95428945 OZUSJMANBKQMBG-UHFFFAOYSA-N 331.466 4.408 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)c2c(C(F)(F)F)ccnc2Cl)[C@@H]1C 95941711 BPKIMIYFOLDNPK-KKZNHRDASA-N 334.769 4.308 0 40 EIAB CCSc1ccccc1C(=O)NC[C@@H](OC)c1cccc(F)c1 96388132 KDXCBQRGWHIDAR-MRXNPFEDSA-N 333.428 4.055 0 40 EIAB Cc1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c2ncccc2c1 97113536 PTQVOEQVJUPRNB-QGZVFWFLSA-N 335.411 4.025 0 40 EIAB C/C(=C\c1ccccc1)CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1cccnc1 100148500 LXQHXQXPIOJYKK-PZYLNZHKSA-N 348.490 4.105 0 40 EIAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2)C[C@@H](c2ccco2)C1 102744009 AHOFYAJZRCKICY-PXAZEXFGSA-N 348.362 4.292 0 40 EIAB C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C 104723621 IGJROBULCVXYHC-RLFYNMQTSA-N 345.483 4.224 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C)cc1C 113960667 IZOSWSDYGNMNGI-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 216861043 YHCQJTSLEISGQZ-UHFFFAOYSA-N 328.146 4.423 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2F)cc1 222813867 NRYVWPQWEGLAKH-KSSFIOAISA-N 329.415 4.423 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2cccc(C)c2)cc1 222893569 DWMPNXGVMWFHSB-OAQYLSRUSA-N 339.479 4.464 0 40 EIAB CC[C@H](CNC(=S)Nc1cccc(OC)c1)Cc1ccccc1 225630049 HMBIFTNHGKNZOL-HNNXBMFYSA-N 328.481 4.251 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)Nc2c(F)cccc2F)cc1 225774441 KOGJVDMWAKIYIQ-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c3c(cccc13)CC2 226862339 BHGPLMLXEKPKTH-UHFFFAOYSA-N 343.835 4.393 0 40 EIAB COC(=O)c1c(N)c(-c2nc(-c3ccccc3)cs2)c2ccccn12 257173156 FAJPYKRHKFVIRH-UHFFFAOYSA-N 349.415 4.099 0 40 EIAB Cc1ccc(-c2ccc(C(=O)NCc3csc(C)n3)c(C)n2)cc1 257173338 KHKHVEOISLFCTA-UHFFFAOYSA-N 337.448 4.060 0 40 EIAB CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1CC(=O)O 503853012 UEVUNDDVGXRWKE-UHFFFAOYSA-N 341.407 4.005 0 40 EIAB Cc1ccc(COc2ccc(-c3nc(=O)c4ccccc4[nH]3)cc2)cc1 575410930 OKWDMZULCHTBNI-UHFFFAOYSA-N 342.398 4.478 0 40 EIAB CC(=O)CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1 2037834361 SGYDVKUHQHUSPX-UHFFFAOYSA-N 333.463 4.010 0 40 EIAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 119838 JPVZXDNGPVCEIB-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1 144069 NVICAXRWBNEKMT-UHFFFAOYSA-N 335.407 4.139 0 40 EIAB CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1C(C)C 410492 PIDMRZNDUPLNIK-UHFFFAOYSA-N 346.500 4.105 0 40 EIAB CCc1cc2cccc(C)c2nc1SCC(=O)N1CCCCC1 416770 UEWACEYKXQACLX-UHFFFAOYSA-N 328.481 4.210 0 40 EIAB Cc1cc(OCC(=O)N2c3ccccc3C[C@H]2C)cc(C)c1Cl 484279 UJWLBJCSECKQCI-CQSZACIVSA-N 329.827 4.313 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)cc1F 1397298 CXYUQSSFXNKODV-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)OCCCc2ccc3c(c2)OCO3)C1(C)C 1747012 FEFQVHMYNXMPCL-YJBOKZPZSA-N 330.424 4.130 0 40 EIAB CCCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 2081097 RLZUHPNGSHKASZ-GZTJUZNOSA-N 341.794 4.473 0 40 EIAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC(C)C)cc12 3241594 ZADWMQKXNMUDIY-UHFFFAOYSA-N 333.844 4.187 0 40 EIAB CCCN(CC1CC1)C(=O)CSc1ncnc2sc(C)c(C)c12 3313446 VMZPYOJRDQXPBE-UHFFFAOYSA-N 349.525 4.049 0 40 EIAB aggregator O=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCO2 3356520 PXKUKTGUUXVTGA-UHFFFAOYSA-N 347.370 4.100 0 40 EIAB CC(C)c1ccc(CN(C)S(=O)(=O)/C=C/c2ccccc2)cc1 3411304 KFUCKHPORLHHHZ-BUHFOSPRSA-N 329.465 4.243 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 4081337 OQHMNEGOKQMOFM-CZUPSRJTSA-N 332.484 4.242 0 40 EIAB biogenic CSc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1 4517550 IQYGHTNAXMSJFA-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB COCCSc1ccccc1C(=O)NCc1ccccc1Cl 4723591 SAVOCHJGHMWPGE-UHFFFAOYSA-N 335.856 4.009 0 40 EIAB COc1ccccc1Nc1nnc(SCc2c(C)noc2C)s1 4835788 YIPUGRUEBMRFFY-UHFFFAOYSA-N 348.453 4.187 0 40 EIAB CC1(C)[C@H]2C[C@@H](Sc3nnn(-c4ccccc4)n3)[C@](C)(Cl)C[C@H]21 5180114 SSQSSYIXOVMRJG-ZOMKSWQUSA-N 348.903 4.187 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1C 5804775 FBZIBRQZXZJIGW-UHFFFAOYSA-N 342.395 4.468 0 40 EIAB Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 6219427 PPEDTCQBFWCQRC-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB CCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1OCC 6323866 ZKOWFCLKUXPQTG-VBKFSLOCSA-N 349.452 4.320 0 40 EIAB Cc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1 6391297 PFBSVIPVBBRRGC-UHFFFAOYSA-N 329.831 4.003 0 40 EIAB Clc1ccc(C2=Nc3ccccc3C(c3cccnc3)=NN2)cc1 6534223 NJXYQPMHGGLXIS-UHFFFAOYSA-N 332.794 4.169 0 40 EIAB O=C(Nc1cccc(O)c1)c1cc(-c2ccco2)nc2ccccc12 6788000 MYTYGDGFWHPHRS-UHFFFAOYSA-N 330.343 4.453 0 40 EIAB Cc1sc2ncnc(Oc3cccc4c3CCC[C@H]4O)c2c1C 7467164 OTFPRWSWNGNUEX-CQSZACIVSA-N 326.421 4.470 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@H]2CCCC[C@@H]2C1 7989328 HDTJIAVVRNFQAF-VXGBXAGGSA-N 333.432 4.479 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C(=O)O 8215035 ZJTIWRULFBVAOI-LLVKDONJSA-N 349.839 4.299 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1C 9457955 DCUZZXZVXPZQJT-AWEZNQCLSA-N 337.375 4.234 0 40 EIAB Cc1sc(-n2cccc2)c(C(=O)Nc2nnc(C3CC3)s2)c1C 9460095 AERUTISOFRJBOR-UHFFFAOYSA-N 344.465 4.137 0 40 EIAB CCOc1ccc(CN(CC)C(=O)Nc2ccccc2)cc1OC 10405545 OZXSZZOFHWVNNV-UHFFFAOYSA-N 328.412 4.148 0 40 EIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nccs1 11326659 PJDIMXYJILVJKT-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB O=C(NCc1nc2ccccc2n1CC1CCCCC1)c1ccco1 11667207 VHNNHHLHGXEMBF-UHFFFAOYSA-N 337.423 4.140 0 40 EIAB Cc1ccccc1NC(=O)CCn1c(-c2cccs2)n[nH]c1=S 12616493 XGGCGYKBPBKFGU-UHFFFAOYSA-N 344.465 4.006 0 40 EIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccsc1 12680850 MSQKFZWGOZETMH-UHFFFAOYSA-N 345.342 4.044 0 40 EIAB O=C(Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1)[C@H]1CCCO1 12815816 HAIPTMVIWISWLS-CYBMUJFWSA-N 348.811 4.327 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)N(C)c3ccccc3)c(=O)oc2c1 12887429 ZTXMEAZGQXIVGE-UHFFFAOYSA-N 335.403 4.005 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12 12972345 NJQYLBXCAMPNRT-VIFPVBQESA-N 333.844 4.088 0 40 EIAB Cc1ccc(CSCCNC(=O)c2cccc3cccnc23)cc1 13000915 DXMRNIYRRRSVSI-UHFFFAOYSA-N 336.460 4.206 0 40 EIAB C[C@@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 13154048 XBQQSKDHKLLHLN-MDZRGWNJSA-N 341.476 4.156 0 40 EIAB Cc1csc(NC(=O)c2sc(-c3ccccc3F)nc2C)n1 13736504 GROCJVBBSUZOMH-UHFFFAOYSA-N 333.413 4.275 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)Cn1ncn(C2CC2)c1=S 14168633 FGKZAZGVCDEHSA-UHFFFAOYSA-N 343.283 4.145 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)C)cc1 14343337 BZJQOVQECMKAEP-HNNXBMFYSA-N 327.424 4.075 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 15841221 CPDPZWDMSSSENU-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB COc1ccc(NC(=O)c2c(C)noc2C)cc1Cc1ccccc1 16274647 LHZQCDSODSXIJT-UHFFFAOYSA-N 336.391 4.143 0 40 EIAB CCC(C)(C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 16384497 VVOQRNOZFLLFEU-QGZVFWFLSA-N 348.537 4.062 0 40 EIAB O=C1/C(=C\C=C/c2ccccc2)C(=S)SN1Cc1ccco1 17122127 JVVQNGKODHLDHJ-JBCREXSLSA-N 327.430 4.237 0 40 EIAB CCOc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 18205409 VSQPAMHZHXRSDC-UHFFFAOYSA-N 335.856 4.261 0 40 EIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)/C=C/c2ccco2)cs1 18235517 AMYJVQAWEHGGOZ-FNORWQNLSA-N 336.416 4.314 0 40 EIAB CCOC(=O)c1oc2ccccc2c1CN(C)CCc1ccccc1 19881432 QPPHMXJRSSJEIS-UHFFFAOYSA-N 337.419 4.284 0 40 EIAB CC[C@@H](CNC(=O)Cc1cc(Cl)ccc1OC)c1ccccc1 21931923 OXTFLDIYBMBEGT-AWEZNQCLSA-N 331.843 4.201 0 40 EIAB Cc1cc(CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)no1 25139511 WQRWJENIXPBGCO-UHFFFAOYSA-N 347.374 4.063 0 40 EIAB CCC(CC)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 25678884 VNDPVZBDANVUCM-UHFFFAOYSA-N 340.427 4.191 0 40 EIAB COCc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 26032204 OBOLCYDSDMTWRT-UHFFFAOYSA-N 335.856 4.358 0 40 EIAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 27267737 GAYOFUOAHKPAJL-UHFFFAOYSA-N 349.434 4.415 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(C)C)cc1 27978709 DNCHBGULMHISFB-QGZVFWFLSA-N 341.407 4.335 0 40 EIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1csc(Br)c1 29799611 SWQWMZQMUPFYGO-UHFFFAOYSA-N 348.225 4.153 0 40 EIAB CCOCCCN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 32514165 JJMJTYBAIZRVIA-HXUWFJFHSA-N 336.435 4.108 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 36760036 XAZFLYJNDNMXEF-GOSISDBHSA-N 340.398 4.255 0 40 EIAB Cc1ncsc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 43269287 LGXRXWXFVFZTNG-UHFFFAOYSA-N 349.868 4.405 0 40 EIAB Cc1ccc(CCCNC(=O)CSCc2ccc(F)cc2)cc1 44899882 BFKTUBNQYYBWHI-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 44900175 BJJIQKIBWYWDMK-ZIAGYGMSSA-N 345.464 4.062 0 40 EIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccccc2C)c1 44903269 DFXKGFKIDWBNFK-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB COc1cc(N)c2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352569 QFQPHCKCERJRGA-UHFFFAOYSA-N 346.799 4.425 0 40 EIAB Cc1ccc(-c2nsc(NC(=O)c3oc4ccccc4c3C)n2)o1 58294745 MNTFSTNEWKVAFG-UHFFFAOYSA-N 339.376 4.413 0 40 EIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)CCO2 58381059 XCUAMTQDDBMWMB-UHFFFAOYSA-N 345.398 4.453 0 40 EIAB COc1ccc(NC(C)=O)c(NCc2ccccc2C(F)(F)F)c1 63468921 SEVMQAPGTBFJHI-UHFFFAOYSA-N 338.329 4.285 0 40 EIAB Cc1nc(CN(C)Cc2csc(Nc3ccccc3)n2)cs1 65300320 NSYVFCRRCKPKEJ-UHFFFAOYSA-N 330.482 4.284 0 40 EIAB Cc1cnn(CC2CC2)c1NC(=O)c1ccc(Oc2cccnc2)cc1 65621206 NKDBBOBXHNAEFQ-UHFFFAOYSA-N 348.406 4.041 0 40 EIAB CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(F)c2F)n1 67991075 CAALEJRXDWCTHM-UHFFFAOYSA-N 343.333 4.391 0 40 EIAB C[C@H](N[C@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 69416036 ZRGIKZAPHZJEGZ-GUYCJALGSA-N 326.444 4.314 0 40 EIAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccc1 79361095 VGEAXJCSRQIEDP-MWTRTKDXSA-N 349.883 4.351 0 40 EIAB CC(=O)c1c(F)cccc1NCCOc1cccc2c1OC(C)(C)C2 83815628 IMBAOOSCVOWMCT-UHFFFAOYSA-N 343.398 4.233 0 40 EIAB COCc1nc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)cs1 83914957 VXMNBJXOQYNEBS-QFBILLFUSA-N 328.481 4.191 0 40 EIAB COc1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1C 84093648 ANJQZRRVWWPLTB-HXUWFJFHSA-N 338.451 4.169 0 40 EIAB COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2csc(C3CC3)n2)c1 84544974 GEZPZOAXORQDCI-STQMWFEESA-N 344.480 4.400 0 40 EIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccc(O)cc1 89794441 OGFFXMSHUFEPRI-HNNXBMFYSA-N 338.388 4.038 0 40 EIAB Fc1ccc([C@H](NCc2nccn2Cc2ccccc2)C2CC2)cc1 89841126 MRIXEXUBXFYROR-OAQYLSRUSA-N 335.426 4.311 0 40 EIAB C[C@@H]1CC(Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@@H](C)O1 92160925 YTHOLTSEQRFHEO-HZPDHXFCSA-N 345.487 4.462 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CC2(n3cccc3)CCCCC2)c1 95473177 QPFIPRCPPSCHRD-UHFFFAOYSA-N 339.439 4.135 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCCSCC1 95957338 RPJQSFGUOKPZID-VXGBXAGGSA-N 330.280 4.062 0 40 EIAB COc1ccccc1-c1cccc(NC(=O)N2CCC[C@H](OC)C2)c1 171895375 XYUFZGJVCCFENK-KRWDZBQOSA-N 340.423 4.005 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3OC)N21 222641573 ZDYPNXGLYOKFAH-FSPWUOQZSA-N 339.464 4.070 0 40 EIAB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(OC)c(C)c1 224981476 GPIXOUFWWMEAEW-YLZCUGDYSA-N 339.435 4.293 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1snnc1-c1cccs1 225790647 JWNBJYSMSBGZGO-GFCCVEGCSA-N 343.477 4.018 0 40 EIAB COc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225847095 ARVNIEOCTWXPPP-UHFFFAOYSA-N 326.465 4.451 0 40 EIAB COC(=O)C1(Cc2cccc(-c3cc(C)cc(C)c3)c2)CCOCC1 257206597 BEDDDMOOGVNUNP-UHFFFAOYSA-N 338.447 4.483 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](CC(=O)O)Cc2ccc(Cl)cc2)c1 35495 SFQODLJFJVFFPZ-HNNXBMFYSA-N 345.826 4.229 0 40 EIAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 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40 EIAB O=C([C@@H](F)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 4852116 QHQPSHVRRKIGAA-OAHLLOKOSA-N 325.305 4.116 0 40 EIAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(F)cc1 5083484 DQQBHDDOMWUKDU-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB CCc1ccc2nc(NC(=O)CCc3ccc(OC)cc3)sc2c1 6509454 MONKYIGECJBCEA-UHFFFAOYSA-N 340.448 4.439 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1cccc(OC(F)F)c1 6652223 YCLXBKAUHCPLOC-AWEZNQCLSA-N 335.375 4.255 0 40 EIAB Cc1cc2nc(NC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1C 6796960 GDNBFCXDJFFJNQ-UHFFFAOYSA-N 333.313 4.451 0 40 EIAB CC(=O)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 7338212 PYJCIXKJEJDVGZ-UHFFFAOYSA-N 328.755 4.172 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 8075718 YRKYHWQZOLICNA-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 8161711 XKFOQSNCVYYREX-UHFFFAOYSA-N 332.831 4.204 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 8906424 ICGZIOOCCPAKGQ-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB O=C1C[C@H](c2ccccc2F)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 8973058 NNOKBLFPOCGADT-CYBMUJFWSA-N 341.773 4.343 0 40 EIAB CCOc1ccc(-c2nnc(CN[C@H](c3ccccc3)C3CC3)o2)cc1 9836453 ZVXWGGFIOCKIST-HXUWFJFHSA-N 349.434 4.376 0 40 EIAB COc1ccc2cc(CNC(=O)N[C@H]3CCCC[C@@H]3C)ccc2c1 10370681 RIGPJOMAPARALN-LIRRHRJNSA-N 326.440 4.226 0 40 EIAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ncsc2c1 12409229 FFHHGSIKMVUTKW-GFCCVEGCSA-N 335.432 4.139 0 40 EIAB Cc1cc(C)c2c(NC(=O)c3ccc(C(C)(C)C)cc3)nn(C)c2n1 12446569 TZKUUHANNQWKEL-UHFFFAOYSA-N 336.439 4.135 0 40 EIAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3ccncc3)sc2n1 12526916 ZQIVXRLRSIUCLH-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)N[C@@H]1CCc2ccccc21 12764064 QIPNUDQQHOXSKH-OAHLLOKOSA-N 336.218 4.176 0 40 EIAB CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12772672 IUGKBKCUDQJTMI-INIZCTEOSA-N 347.340 4.197 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc2C1 14396886 GGGOQCQYUFEHGR-MRXNPFEDSA-N 337.463 4.336 0 40 EIAB CCCCN1CN(c2ccccc2)C(=S)N(c2ccccc2)C1 14608220 VETPJGRKUZEDSY-UHFFFAOYSA-N 325.481 4.315 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 16019634 XCZKDOGSFIJFDV-UHFFFAOYSA-N 328.437 4.074 0 40 EIAB CCOC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1Cl 20040603 FTXPFJRWYZSZHB-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCCCC2)cc1 20045461 KLHIBZYBGHEVHT-JOCHJYFZSA-N 348.490 4.480 0 40 EIAB CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)cc1 20105265 SGPLOPPYHPFHFZ-INIZCTEOSA-N 339.391 4.331 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(OC)cc1 20489543 YRIJILJADLJFLG-VQTJNVASSA-N 341.451 4.429 0 40 EIAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12 21403125 AEHHUPKEONXJIW-NSHDSACASA-N 343.814 4.491 0 40 EIAB CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(OC)cc1 21836737 WLESWYGHOJYDQF-GOSISDBHSA-N 347.842 4.303 0 40 EIAB Cc1c(C(=O)Nc2ccc(N(C)C)nc2)sc2cccc(F)c12 22419744 PEUIRCBMFBZTFK-UHFFFAOYSA-N 329.400 4.062 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1OC 22537997 YVNGVROFJCXXDH-MRXNPFEDSA-N 341.451 4.049 0 40 EIAB Cc1sc2nc(CN(C)Cc3cccc(Cl)c3)nc(N)c2c1C 24831640 DGTRLEOEKNOHDI-UHFFFAOYSA-N 346.887 4.176 0 40 EIAB CCc1nnc(COc2c(Cl)cc(Cl)c3ccc(C)nc23)o1 24833221 RUFOWEDZAYHKGS-UHFFFAOYSA-N 338.194 4.374 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1c2ccccc2C[C@H]1C 30863216 WLVQIAIMKYYCTI-ACJLOTCBSA-N 329.827 4.475 0 40 EIAB Cc1noc2ncc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc12 30923729 HTNUTHCOVAOPIJ-VIFPVBQESA-N 349.312 4.041 0 40 EIAB Cc1cccc(NC(=O)[C@H]2C[C@H]2C(=O)Nc2cccc(C)c2C)c1C 32809582 OTNHIRPXZZABFS-CALCHBBNSA-N 336.435 4.134 0 40 EIAB Cc1c(Cl)cccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 40096500 HTPIGDHLMOBYBX-HNNXBMFYSA-N 337.876 4.134 0 40 EIAB Cc1cc(C)n(CCCNC(=O)Nc2ccc(C(C)(C)C)cc2)n1 43172150 DXGUYZPSLIXEMJ-UHFFFAOYSA-N 328.460 4.009 0 40 EIAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 54661494 GJTMUUXWSISGEJ-LJQANCHMSA-N 347.418 4.065 0 40 EIAB COc1ccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)cc1OC 69388110 JFAFDGGXMUVRIA-UHFFFAOYSA-N 332.400 4.048 0 40 EIAB CSCCc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 69685196 ATJZWVFIADXUOU-UHFFFAOYSA-N 341.480 4.184 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccccc1)CC1CCC1 69780518 FRSUOWICRQEGAX-CQSZACIVSA-N 326.440 4.224 0 40 EIAB COc1ccc([C@@H]2CCCCCN2Cc2cn3ccccc3n2)cc1 71924154 XPANORKTEFVZQC-FQEVSTJZSA-N 335.451 4.460 0 40 EIAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72219277 GGXWGRCFCBHQKI-KRWDZBQOSA-N 345.487 4.452 0 40 EIAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)Cc2cccnc2)n1 76042881 VAJIDTQKFVFXFQ-OAHLLOKOSA-N 343.496 4.132 0 40 EIAB C[S@](=O)Cc1cc(NC(=O)c2ccccc2Cl)ccc1Cl 79361108 KTNOJJSGUBXGSG-OAQYLSRUSA-N 342.247 4.124 0 40 EIAB Cc1ccc2oc(C(=O)N(C[C@@H]3CCOC3)c3ccccc3)cc2c1 84208288 FMJPCIRQHRJMNO-INIZCTEOSA-N 335.403 4.425 0 40 EIAB CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C 95095405 IRVKKEOAJDSQOD-ZBFHGGJFSA-N 329.444 4.345 0 40 EIAB O=C(NCc1ccc(F)cc1)c1ccc(Oc2cccc(F)c2)o1 96182548 GDHFECVMHYMOKB-UHFFFAOYSA-N 329.302 4.280 0 40 EIAB C[C@H](NC1(CN[C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 97009612 WHGOYLYBXBVTMZ-HBFSDRIKSA-N 330.516 4.055 0 40 EIAB C[C@]12CC3CC(C(=O)Nc4ccc5c(c4)OCO5)(C1)C[C@](C)(C3)C2 102131758 GWYSHSDODZSNIY-QEJKFARNSA-N 327.424 4.350 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 102375715 IPYLRZNOWBRKOU-UMSGYPCISA-N 337.261 4.395 0 40 EIAB O=C(N[C@@H]1CCc2ccccc2C1)c1csc(Cc2ccccc2)n1 106206269 MRCLBKOPTTUXQG-GOSISDBHSA-N 348.471 4.021 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260740932 ARBQORPFZLAVNC-HSCHXYMDSA-N 327.468 4.028 0 40 EIAB CC(C)Sc1ccc(CC(=O)NCc2cncc(C3CC3)c2)cc1 575620478 TVFMXVDERXGMLO-UHFFFAOYSA-N 340.492 4.318 0 40 EIAB CCC(CC)C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615157484 KIHPKYLCMONUPE-APWZRJJASA-N 346.490 4.468 0 40 EIAB CCn1cc(CN2CCC[C@H](c3nccs3)C2)c2ccccc21 2037846443 YFTMHNOQMYSUPS-HNNXBMFYSA-N 325.481 4.497 0 40 EIAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 211351 DJPGKGJRDKNESZ-UHFFFAOYSA-N 345.354 4.294 0 40 EIAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc21 417153 IFWSXZGCAPZQMQ-UHFFFAOYSA-N 339.464 4.404 0 40 EIAB Cc1sc2nc(SCc3ccccc3F)n(C)c(=O)c2c1C 529735 QZSJCOKEYXCJTM-UHFFFAOYSA-N 334.441 4.043 0 40 EIAB CCCc1nc(SCC(=O)NC2CCCCC2)c2ccccc2n1 1342696 PJRZKATXNLMYCG-UHFFFAOYSA-N 343.496 4.123 0 40 EIAB FC(F)(F)c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1 1383374 MQZOVTJIHCZHAC-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB NC(=O)[C@@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl 1385499 PJHDOOIJJSHQST-NSHDSACASA-N 349.139 4.024 0 40 EIAB CC1CCN(Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 2122938 NWVXZCNZCSPGAR-UHFFFAOYSA-N 349.430 4.398 0 40 EIAB biogenic Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2F)c1C 2761234 CVGHRZBAYQZJSJ-UHFFFAOYSA-N 341.304 4.479 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3273337 QVPUQASDPSPUPT-AWEZNQCLSA-N 335.407 4.161 0 40 EIAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1 3424980 BRXQPNMLYOJOAE-UHFFFAOYSA-N 325.408 4.096 0 40 EIAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1c(F)cccc1Cl 3463334 HNXYTIKTXOORMV-UHFFFAOYSA-N 338.810 4.014 0 40 EIAB COc1ccc(NC(=O)CSc2ccc(C)cc2C)c(OC)c1 3606748 OUZXZXPATVBEPI-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB COc1ccc(OC)c2sc(NC(=O)c3cccc(Cl)c3)nc12 4330805 STSDBOBGKVALTR-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Clc1ccc(/C=C/c2nn3c(-c4cccnc4)nnc3s2)cc1 4540205 NHQJDAVTGBKRFJ-VMPITWQZSA-N 339.811 4.072 0 40 EIAB Cc1cc(/C=C\c2cc[n+](C)c3ccccc23)c(O)c2ncccc12 4900400 LUNLWEDILJFNBX-UHFFFAOYSA-O 327.407 4.397 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC)cc1 5235137 YLPVUWUUEDMOGP-UHFFFAOYSA-N 339.844 4.102 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 5541012 WAXMXLISKVNLIA-LBPRGKRZSA-N 346.814 4.013 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 5691112 GGANTHHMXUYIHP-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=C(COc1cccc(F)c1)c1ccc(NC(=O)c2ccccc2)cc1 7123323 MUHWDMIWEKSYBG-UHFFFAOYSA-N 349.361 4.340 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3cccs3)n2)cc1 7736645 BLZLGVJKLMRBGS-UHFFFAOYSA-N 328.462 4.217 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1F 7922330 SAUGSVVSRCVQOP-LBPRGKRZSA-N 343.427 4.067 0 40 EIAB O=C(NCCc1ccccc1)c1ncc(Cl)c(Cl)c1Cl 7978451 PNRKGJVFCWRQDE-UHFFFAOYSA-N 329.614 4.014 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)c(Cl)c1 8041183 VEOGUUMSFVMMEK-CQSZACIVSA-N 337.778 4.284 0 40 EIAB CC(C)CC[C@]1(CCNCCCN(C)C)CCO[C@H](C(C)C)C1 9530617 QUDBQDYIZVMSGS-PMACEKPBSA-N 326.569 4.175 0 40 EIAB Fc1ccc(-c2cnc(CSc3nnc4n3CCCCC4)o2)cc1 9883846 SVSVQUVRIMFDFR-UHFFFAOYSA-N 344.415 4.091 0 40 EIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)no1 12778344 ICVITFNTGHWEIS-UHFFFAOYSA-N 328.290 4.043 0 40 EIAB O=C(CCc1ccco1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 12807253 ZKMVAVUEJKSADB-UHFFFAOYSA-N 348.374 4.176 0 40 EIAB O=C(CCC(=O)c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 13019482 FUHKFLLDXLKUNE-UHFFFAOYSA-N 345.870 4.388 0 40 EIAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3F)c2cc1C 13125623 XCDYIBXBBHXYFW-UHFFFAOYSA-N 347.393 4.196 0 40 EIAB CC(C)CCC[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 14245807 BWSFCSVGMAUWDZ-AWEZNQCLSA-N 331.485 4.079 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1cn[nH]c1-c1ccc(Cl)cc1 14262103 ZBLWOGZDXJUCFZ-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB CC(C)(C)c1ccc(-c2nn3c(=O)c4ccccc4nc3s2)cc1 17070651 MQJPEGLPFSUAFM-UHFFFAOYSA-N 335.432 4.269 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 20029788 QFXDBSGYGKIBDS-CQSZACIVSA-N 337.872 4.305 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 20141774 IAFPTTLJWUHVJF-UHFFFAOYSA-N 327.380 4.124 0 40 EIAB Clc1ccc([C@@H](CCN2CCOCC2)Cc2ccccc2)cc1 20517938 CFCRKTBHCVUJHX-IBGZPJMESA-N 329.871 4.389 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1c(C)cccc1C 21587843 HVNOLPXQUHXCKH-IBGZPJMESA-N 334.419 4.206 0 40 EIAB CC(C)Nc1nn(CN(C)Cc2ccccc2Cl)c(=S)s1 23995494 FYHBWSQGDMSXOA-UHFFFAOYSA-N 342.921 4.237 0 40 EIAB CC(=O)Nc1nc(CSc2cc(C)c3ccccc3n2)cs1 24910487 USBPLUCYWRBBCM-UHFFFAOYSA-N 329.450 4.250 0 40 EIAB Cc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)c(C(C)(C)C)c1 27531046 JLKSJXCQCJQNRN-OKZBNKHCSA-N 333.516 4.295 0 40 EIAB Cc1cccnc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 27651422 UOBDAEASKSQEPN-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(Cl)s1 32039019 WPGPKDNLWVZOHR-ZETCQYMHSA-N 345.649 4.050 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(F)c(F)c1F 32796740 XNIBYJOYPIUHPG-UHFFFAOYSA-N 336.288 4.214 0 40 EIAB CSCc1nnc(SCc2nc(-c3ccccc3)oc2C)o1 32893188 LNSJQRUCPWEXMI-UHFFFAOYSA-N 333.438 4.188 0 40 EIAB Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1c[nH]c2ccccc12 32902665 UUSGATOOMZCXEG-HXUWFJFHSA-N 335.451 4.193 0 40 EIAB O=C(Cc1cn2ccsc2n1)N[C@@H](c1cccs1)C1CCCC1 32924364 VRTSMJMMRPYGMU-MRXNPFEDSA-N 345.493 4.048 0 40 EIAB CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 34797425 RRHKBUYXWWDYGZ-ZOCIIQOWSA-N 331.456 4.305 0 40 EIAB O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(Br)cc1 37494639 BOGJLKHJDLDULZ-UHFFFAOYSA-N 342.196 4.092 0 40 EIAB CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 38600344 PPVVBFLQFMBPFG-XUDSTZEESA-N 330.468 4.450 0 40 EIAB in-vitro CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(F)cc1 38756272 XLGOKMBWJKZAPB-GOSISDBHSA-N 329.415 4.041 0 40 EIAB COc1ccc(NC(=O)N(C)Cc2ccccc2Cl)c(OC)c1 40098629 AURIQDKQZDVYBB-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1 49169955 OMLJFDCOZBMBMR-HNNXBMFYSA-N 325.437 4.096 0 40 EIAB biogenic,in-vitro COc1ccc2c(c1/C=C/C(C)(C)O)O[C@H](c1ccccc1)CC2=O 49180976 DSOKHRJRTZPRBU-CVTTXWKISA-N 338.403 4.186 0 40 EIAB biogenic,in-vitro COc1ccc(OC)c(CN(C(=O)c2cccc(C)c2C)C2CC2)c1 58010509 OZEBUIRZURKSIN-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 58428610 KQBFEYGNARGRLA-CQSZACIVSA-N 332.444 4.296 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2cccc3ccccc23)cc1 59351909 FVDORMWHJAATGN-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72215137 XZRSLGYVXSYSAS-ZBFHGGJFSA-N 333.476 4.436 0 40 EIAB COc1ccc2ccccc2c1Cc1cc(-c2ccccc2)n[nH]c1=O 79474324 MKNXMXZKNCFQLF-UHFFFAOYSA-N 342.398 4.190 0 40 EIAB CSCc1ccnc(NC(=O)c2sccc2Br)c1 89493768 WJTQDACLSCFVKJ-UHFFFAOYSA-N 343.271 4.021 0 40 EIAB C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1 95960129 IFPSZOXRCFXPIK-SECBINFHSA-N 336.356 4.182 0 40 EIAB Cc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)s1 96047590 UMZTVAXUZKMHBU-HKUYNNGSSA-N 346.471 4.041 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 102761997 INWYLJANKLYLOW-OWLYRPNTSA-N 349.434 4.002 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 222902373 CRGGTNQKYATOTF-XKOZXHHJSA-N 349.430 4.185 0 40 EIAB Cc1cccc(OCCNC(=O)CCc2ccccc2Cl)c1C 223952825 VGJSXDRBHZBXBE-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccccc2F)CC1 224550977 FZYIEHDMPGFFAL-KRWDZBQOSA-N 348.506 4.370 0 40 EIAB CCn1c(=O)sc2cc(NC(=S)Nc3ccc(C)cc3)ccc21 225127049 IRNZYMOXPMDESO-UHFFFAOYSA-N 343.477 4.200 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1c2ccccc2C[C@@H]1C 225545806 MIKXUDJNRSXCHP-HOTGVXAUSA-N 335.447 4.311 0 40 EIAB CSc1ccccc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225795297 FLJPLUXTSWWHGK-UHFFFAOYSA-N 349.459 4.350 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(Br)c1O 226242876 PTRVXGIXHWNBQK-UHFFFAOYSA-N 340.604 4.369 0 40 EIAB CC(C)C[C@@H](c1nc([C@H](C)c2cccs2)no1)N1CCCCC1=O 273780392 DOGABJDNPNXSPF-KGLIPLIRSA-N 347.484 4.383 0 40 EIAB CC(C)c1ccccc1-n1ccnc1SCCc1cnn(C)c1 516892664 WWXMDPRRVPXOFY-UHFFFAOYSA-N 326.469 4.064 0 40 EIAB CC1(C)C[C@@]2(CCCN2C(=O)C2CCCC2)CN1c1cccc(F)c1 1615153452 CYUOZBUTGIQXQX-NRFANRHFSA-N 344.474 4.366 0 40 EIAB Cc1ccccc1NC(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775968880 OITADEWZJOLMMB-OAHLLOKOSA-N 342.420 4.172 0 40 EIAB CCc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 569686 ANACWXDTXCFOJX-UHFFFAOYSA-N 338.451 4.257 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 1010371 PVIYAXSQTBDMGY-UHFFFAOYSA-N 341.411 4.067 0 40 EIAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc21 1438717 YNCRVUGHTHUIIH-UHFFFAOYSA-N 345.855 4.440 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1OC 1934635 VBWVORNCOMNZOV-WUXMJOGZSA-N 341.407 4.145 0 40 EIAB CCCCCCNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 2193955 ZXHXKTUIDYIIIQ-LBPRGKRZSA-N 343.500 4.456 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ccccc1 3073487 UXKUZATVDWGZSF-UHFFFAOYSA-N 331.371 4.012 0 40 EIAB COc1ccc(C(=O)/N=c2/[nH]c3ccc4ccccc4c3s2)cc1 3163497 ZWJIJKLRJWIPQG-UHFFFAOYSA-N 334.400 4.132 0 40 EIAB O=C1/C(=C/c2cc(OC(F)F)ccc2Cl)N=C2CCCCCN12 3213062 WKGTWLXVMRWELX-LCYFTJDESA-N 340.757 4.097 0 40 EIAB C[C@@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 3455890 NAOBXQQJEIURCD-PKOBYXMFSA-N 340.467 4.117 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)cc1C 4194693 NKUIRTDHTOWFOH-UHFFFAOYSA-N 329.830 4.200 0 40 EIAB aggregator O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 4248205 WCFSZVBWSXIDEE-OAHLLOKOSA-N 338.388 4.038 0 40 EIAB O=C(c1ccccc1)[C@H]1OC(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 4769301 SGVOKFURKTYPGV-URVUXULASA-N 342.394 4.362 0 40 EIAB CCc1cc2cc(C)ccc2nc1SCC(=O)NC1CCCC1 4849318 ABXDNAIJMIBLMB-UHFFFAOYSA-N 328.481 4.257 0 40 EIAB CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 5156709 ZNGTWDNQCSGOSR-UHFFFAOYSA-N 348.446 4.098 0 40 EIAB Cc1ccc2cccc(OCC(=O)N[C@H]3CCCc4ccccc43)c2n1 5198725 VGSUVEDGVUBIPA-IBGZPJMESA-N 346.430 4.116 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 5234707 JNBAZYOCGOCHTR-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(OC)c1 5461224 ZUUBOBVDHUHEQK-LLVKDONJSA-N 331.437 4.142 0 40 EIAB O=C(NCCc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 5465922 CDDNSIRQNMKFSL-UHFFFAOYSA-N 333.406 4.317 0 40 EIAB c1ccc([C@@H]2[C@@H](c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1 5604284 AWBNJJKNGQAUII-DNQXCXABSA-N 336.438 4.121 0 40 EIAB COc1ccc(CCC(=O)Nc2nc(-c3cccs3)cs2)cc1 6128170 QFRHSFIJBCKRRQ-UHFFFAOYSA-N 344.461 4.452 0 40 EIAB O=C(COC(=O)CC1CCCCC1)Nc1ccc(Cl)cc1Cl 6948446 ZJHJDIXOTVWJBP-UHFFFAOYSA-N 344.238 4.446 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H]2CCCc3ccccc32)c1C 7546176 RJVYRMJVTMHWHI-KSSFIOAISA-N 338.451 4.073 0 40 EIAB COc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 8548735 QZAMNSKHZMAJDI-UHFFFAOYSA-N 327.380 4.004 0 40 EIAB COc1cccc(-c2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1 8709095 GHPDXRSEKPUAKC-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB C[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(F)cc2)s1 8913936 GHXDIHGPINBETL-LLVKDONJSA-N 327.384 4.081 0 40 EIAB Cc1cnc(NC(=O)c2cc3cc(Br)ccc3o2)s1 9184007 YCXYUNZIVHSGFD-UHFFFAOYSA-N 337.198 4.213 0 40 EIAB COc1cccc(CC(=O)N(c2ccccc2)c2nc(C)cs2)c1 9314556 YWZSBNJPUZMRHA-UHFFFAOYSA-N 338.432 4.368 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)[C@@H]1Cc2ccccc2S1 10310536 YDAMKSPMZNQNGL-FQEVSTJZSA-N 349.455 4.052 0 40 EIAB CCC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccccc1 11238849 KAKOHRJRLAKHDK-OAHLLOKOSA-N 327.453 4.214 0 40 EIAB CC(C)(C)c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1 12546568 NZFCFDWXPKNCBN-UHFFFAOYSA-N 349.434 4.187 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OCC 12632847 FAQOGVPVDHULRU-UHFFFAOYSA-N 348.830 4.483 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1cccc(OCc2cscn2)c1 12747908 SNLYJCBJDTUJBA-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(C)cc1 12772468 ILKWWMVXFXUIQH-HNNXBMFYSA-N 342.464 4.286 0 40 EIAB Cc1ccc(C)c(CSCc2cc(=O)n3c(C)csc3n2)c1 14122957 RBOMEQCGQIJYDJ-UHFFFAOYSA-N 330.478 4.115 0 40 EIAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1F 16477063 KBQVBHCWORHWAS-UHFFFAOYSA-N 337.325 4.448 0 40 EIAB Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1Cl 21895437 CLBOYURDGPWRSZ-STQMWFEESA-N 345.874 4.261 0 40 EIAB O=C(NCCc1ccccn1)c1cc2sc3ccccc3c2s1 24584219 UMXUEVRVBOCQII-UHFFFAOYSA-N 338.457 4.484 0 40 EIAB CN(Cc1ccccc1F)C(=O)c1cc(-c2ccc(Cl)cc2)on1 25583953 TVZYSSYTTWVORF-UHFFFAOYSA-N 344.773 4.406 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2C)c1 26379268 WKZUOJZEVLTDAD-HUUCEWRRSA-N 339.439 4.075 0 40 EIAB COc1ccccc1Oc1ccc(N[C@H](C)c2nc(C)no2)cc1 26985506 NRUGIXWNKJCIMD-GFCCVEGCSA-N 325.368 4.352 0 40 EIAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)cc1 28926315 CHTSCQMYJWJVIS-LBPRGKRZSA-N 334.366 4.097 0 40 EIAB NC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 32938455 LEKZNPYVPNAPDM-UHFFFAOYSA-N 343.386 4.001 0 40 EIAB C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 35142210 QJSLJLSQEYRTPS-BLLLJJGKSA-N 331.799 4.173 0 40 EIAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39759327 GSQDHPKOPUMIGA-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB COc1ccc2c(c1/C=C/C(C)(C)O)O[C@@H](c1ccccc1)CC2=O 49180979 DSOKHRJRTZPRBU-TZZQJPOUSA-N 338.403 4.186 0 40 EIAB biogenic,in-vitro CC[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)c1cccs1 57243502 FPUFRAGFUGONBD-BLLLJJGKSA-N 345.468 4.218 0 40 EIAB O=C1CN(Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2F)N1 58380375 QNUYGCDGDNDQBP-QFIPXVFZSA-N 346.405 4.123 0 40 EIAB CCC[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C(C)=O)c2)CC1 61750785 KYKZZMSLMMVECY-QGZVFWFLSA-N 345.487 4.099 0 40 EIAB Cc1nnc([C@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)o1 66260964 XIAVIZHMBURYHR-JTQLQIEISA-N 330.413 4.405 0 40 EIAB CC(C)Oc1ccccc1CC(=O)N(C1CC1)[C@@H](C)c1ccccn1 69387941 YFDGTTRAUGOYSH-INIZCTEOSA-N 338.451 4.164 0 40 EIAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)[C@H]1CCCc2ccccc21 69776254 IFZVHQIQKJBQIH-SFHVURJKSA-N 346.434 4.093 0 40 EIAB CSc1ccccc1NC(=O)CCN1CC[C@H](c2ccccc2)C1 69878314 JFCCOTOHFRXGDV-KRWDZBQOSA-N 340.492 4.227 0 40 EIAB Clc1ccc(CSc2ccc(-n3ccnc3)nn2)c(Cl)c1 70688607 RIQQYJZDQWWRMJ-UHFFFAOYSA-N 337.235 4.261 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(Br)s1 71282338 MALXIBOXQREVQK-QMMMGPOBSA-N 340.246 4.412 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)c(C)c1 72427501 RHCCKCZFQLDEKU-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1OC 77180132 FGPHCVVQJDJSLV-OAHLLOKOSA-N 344.411 4.446 0 40 EIAB Cc1cc([C@H](O)CCNC(=O)c2cc(Cl)ccc2Cl)c(C)o1 85561615 VSCCGSFCUIENTC-OAHLLOKOSA-N 342.222 4.057 0 40 EIAB C[C@H]1CCCN1C1CCN(C(=O)CCCSc2ccccc2)CC1 89929862 UCMHGOGSQWASAH-KRWDZBQOSA-N 346.540 4.034 0 40 EIAB Cc1ncsc1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086538 KDTUQUKKFLSFTG-GFCCVEGCSA-N 340.370 4.100 0 40 EIAB Cc1c(Cl)cccc1N1C(=O)C[C@@H]([C@@H](C)c2ccccc2)C1=O 103442214 RWCOEDHENPOZRT-WFASDCNBSA-N 327.811 4.332 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCC[C@@H]1C 105385113 QDMGQNMNICYKKZ-ZANVPECISA-N 336.794 4.361 0 40 EIAB O=C(c1cc2ccccn2c1)N1CCS[C@@H](c2cccs2)CC1 219514328 VCFBFQWGQVRMBV-QGZVFWFLSA-N 342.489 4.321 0 40 EIAB CCOc1ccc(C(=O)NCCCc2cccc(OC)c2)cc1Cl 223358246 CHDHVQFTJLAAQK-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COC(C)C 224422511 KLEPOXBZCTXOJQ-OAHLLOKOSA-N 327.424 4.111 0 40 EIAB CCSc1nnc(NC(=O)c2ccccc2SC(C)C)s1 224583687 AJXZRDCLJJHBCI-UHFFFAOYSA-N 339.511 4.403 0 40 EIAB Cc1cccc(CSCCNC(=S)Nc2ccccc2F)c1 225337101 NSCFRCHARQXPRR-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257231135 GFKINKGCCDKEJV-GQCSGYJFSA-N 337.410 4.126 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)S1 260763010 HZLLCEALRSHAFC-KBRIMQKVSA-N 340.496 4.227 0 40 EIAB Fc1cc(Br)cc([C@H](CC2CC2)NCc2ccno2)c1 275101740 FLCUMKLSVBJCIL-HNNXBMFYSA-N 339.208 4.207 0 40 EIAB O=C(NCCCc1cc2ccccc2o1)c1ccc(Br)o1 390828867 BZNRXHUKJYVKNO-UHFFFAOYSA-N 348.196 4.151 0 40 EIAB CCCOc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 408585840 JHMCAAGLFWVTAE-UHFFFAOYSA-N 332.783 4.169 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 147378 RZJMYUCSTCNNTB-WEVVVXLNSA-N 347.798 4.018 0 40 EIAB Brc1nnc2n1-c1ccccc1Sc1ccccc1-2 347426 LRODFXRSUIDRHW-UHFFFAOYSA-N 330.210 4.161 0 40 EIAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 2648669 NUSREWOQUNDSJD-MRVPVSSYSA-N 330.837 4.363 0 40 EIAB O=C(c1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 4120054 OSZRMSDMZGYKQO-UHFFFAOYSA-N 330.840 4.085 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 5462169 RXMXKRKNZQLWAB-INIZCTEOSA-N 349.405 4.499 0 40 EIAB C[C@H](Sc1ccc2c(c1)OCCO2)c1nnc(-c2cccs2)o1 6844954 DQZODRLIQWPYRN-JTQLQIEISA-N 346.433 4.423 0 40 EIAB FC(F)(F)c1ccc(N/N=C/c2ccc(Br)cc2)nc1 6866519 NBIAKWZGONDNNN-FBCYGCLPSA-N 344.134 4.309 0 40 EIAB CCC(=O)c1ccc(OCc2nc(-c3ccc(CC)cc3)no2)cc1 6988380 SVDHQMZLZMWFBX-UHFFFAOYSA-N 336.391 4.471 0 40 EIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 7468244 BMGCPIFSACSGCI-UHFFFAOYSA-N 348.402 4.353 0 40 EIAB Cc1nc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cs1 7995538 ORUALKVFPUZVHV-UHFFFAOYSA-N 334.750 4.305 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 8275610 OIBSZLQIYBMWHT-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)cc(C)c2)c(OC)c1 11336956 CYZCWPAGBCGTCO-LJQANCHMSA-N 339.435 4.298 0 40 EIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc2nccnc2c1 11692664 YXOWVWNBIHHDMI-HXUWFJFHSA-N 344.418 4.026 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 11703189 GDUHYSRBDYYHJL-UZLBHIALSA-N 341.451 4.366 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCCC1)Nc1ccc(Cl)cc1 12355575 QHTAGZZQLMXAIY-MRXNPFEDSA-N 349.887 4.360 0 40 EIAB CCN(CC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 12421492 BFGLXNCDLZFOBA-QGZVFWFLSA-N 335.532 4.363 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1 12648274 JDKSFSKTMHSWHF-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1-c1nccs1 12915802 FMHNBYNYAPOJAW-UHFFFAOYSA-N 346.839 4.466 0 40 EIAB Cc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12930148 FRPFOPVPTATVHU-UHFFFAOYSA-N 333.347 4.352 0 40 EIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(C)ccc2C)cc1 12974778 RHNQLFGWZVXJNT-FQEVSTJZSA-N 338.451 4.088 0 40 EIAB Cc1cccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 14877676 PMZBJQUHYMWPDK-UHFFFAOYSA-N 342.402 4.040 0 40 EIAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C)C4)ccc1O 15085169 AAUDZRQKQXRTFP-GXFFZTMASA-N 343.448 4.061 0 40 EIAB CCc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1 15669996 BPDJEIBUWBRMBV-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 17796284 DURBBTVUYBLPOW-IRXDYDNUSA-N 333.435 4.243 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1cccc(C)c1 20104118 FWLQICLGKHIPHC-KRWDZBQOSA-N 325.452 4.074 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 20452691 NHSHHLISQCQSDX-LFPRZYRFSA-N 327.468 4.101 0 40 EIAB CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2ccccc2n1 21709802 XPWAIDNIRUDEKJ-UHFFFAOYSA-N 340.810 4.039 0 40 EIAB Cc1ccc(C)c2sc(NC(=O)[C@]3(C)CC3(Cl)Cl)nc12 22191685 HBKFCJALKKVMBG-ZDUSSCGKSA-N 329.252 4.436 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccc(Cl)cc1 22237481 FDHQWDRTPPQJTN-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1OC 22518986 HNXUGHCVKKBXKK-FQEVSTJZSA-N 349.430 4.322 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccc(C)cc1 22527191 RTTRKCLTGADWRY-HNNXBMFYSA-N 329.465 4.143 0 40 EIAB O=C(c1cc(-c2cccs2)on1)N1CCc2[nH]c3ccccc3c2C1 24960586 NZHSKHDFHXIDHT-UHFFFAOYSA-N 349.415 4.083 0 40 EIAB O=C(Cc1ccccc1)NC[C@H](c1cccs1)N1CCCCCC1 27741442 GNPFJUQLKIGQJV-GOSISDBHSA-N 342.508 4.024 0 40 EIAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cccs3)c2C)cc1 27922105 IWFHMHZWMQJMEE-UHFFFAOYSA-N 325.437 4.170 0 40 EIAB CC1CCN(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 30751116 YHDHFDLYXRHSKT-UHFFFAOYSA-N 348.490 4.117 0 40 EIAB CC(=O)c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 32101922 LLUTWUGBNLCWCJ-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB Cc1nc(C2CC2)nc2sc(C(=O)c3cc(C)n(C)c3C)c(C)c12 32912537 BFPAEYRAFDNDPH-UHFFFAOYSA-N 339.464 4.372 0 40 EIAB CCCCCOc1ccc(C(=O)N2CCOC23CCCCC3)cc1 35671111 IVSCAUDXJOEWJA-UHFFFAOYSA-N 331.456 4.388 0 40 EIAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1 41076962 FBZAMEILVJGDFL-UHFFFAOYSA-N 349.434 4.218 0 40 EIAB NC(=O)c1cc(Cl)ccc1OCc1c(Cl)ccc2cccnc12 42153950 RBELPVTUIKSDMA-UHFFFAOYSA-N 347.201 4.220 0 40 EIAB CC[C@@H](C)c1ccc(OC[C@@H]2CCCNC2)c(Br)c1 42774581 LCKSSPAHIALMDM-CHWSQXEVSA-N 326.278 4.341 0 40 EIAB Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)s1 44869418 NHRABBPZDHGAJJ-JTQLQIEISA-N 331.466 4.203 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@H]2c1cccs1 44903362 KKABXTJFQCYAQB-LBPRGKRZSA-N 338.388 4.361 0 40 EIAB Cc1nn(C)c2c1[C@@H](c1ccccc1OCC(C)C)SCC(O)=N2 49547581 AAFYUQHEEZBSJZ-QGZVFWFLSA-N 345.468 4.188 0 40 EIAB CC[C@H](NC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)c1cccs1 57243503 FPUFRAGFUGONBD-WBMJQRKESA-N 345.468 4.218 0 40 EIAB CCCN(CCC)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 58337590 ZKRZQTUMZJUCKQ-UHFFFAOYSA-N 341.480 4.274 0 40 EIAB Cc1ccccc1SCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 58378338 YMUROJBCRYIPTJ-FXAWDEMLSA-N 341.476 4.124 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 71905547 FPAOONKHADHWSY-UHFFFAOYSA-N 344.827 4.099 0 40 EIAB c1ccc([C@H]2CN(Cc3nnc(-c4cccs4)o3)CCS2)cc1 71910892 VNQDROADFGYWLF-OAHLLOKOSA-N 343.477 4.088 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOc2ccccc2)c1 71926652 ZJNKXWDMHIWCJE-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB Cc1cc(C(=O)Nc2cnc3ccccc3c2)c(C)n1-c1cccnc1 89580124 KKUBZRVUKGHADS-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cn1ccnc1-c1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 95462128 VLUPEJWZCUWKFF-UHFFFAOYSA-N 340.452 4.195 0 40 EIAB C[C@@H]1C[C@@H](OC[C@H](O)CNC(C)(C)CC(C)(C)C)CC(C)(C)C1 95532679 ZCGOSUPULPBKSS-BRWVUGGUSA-N 327.553 4.383 0 40 EIAB CO[C@H](C(=O)OCc1nc(-c2ccccc2)oc1C)c1ccccc1 95953029 VLDDRKJIXWULOT-SFHVURJKSA-N 337.375 4.081 0 40 EIAB Cc1cc(-c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(C)o1 96124481 PESMRAYJLXPDRR-UHFFFAOYSA-N 348.449 4.167 0 40 EIAB CC(C)n1cc([C@H](C)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cn1 96478411 FMSNPGKCZILYJI-FCEWJHQRSA-N 346.544 4.259 0 40 EIAB Cc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1 98212676 GWMQOGNEXYMEFO-UHFFFAOYSA-N 335.392 4.307 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCC4)[C@H]3C2=O)c(C)c1 100068893 OZIXVBVGNNNRFO-SMOSDQRPSA-N 333.431 4.095 0 40 EIAB Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 102680735 DZLHRCTZVFXHBQ-RAUXBKROSA-N 333.431 4.177 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 103479326 IPYLRZNOWBRKOU-VOAKCMCISA-N 337.261 4.395 0 40 EIAB O=C(/C=C/c1cccs1)Nc1sccc1-c1nc(C2CC2)no1 206890567 GSJNHDJZPIQBFY-AATRIKPKSA-N 343.433 4.389 0 40 EIAB Cc1ccc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 219851603 YQVPHPSBLYDSOQ-UHFFFAOYSA-N 342.870 4.181 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)cc3)N21 222641088 YJUBCOGPGQIXLE-BMGDILEWSA-N 339.464 4.070 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(C)c(C)c2)c1 224057734 LROLMIJILCAGFT-INIZCTEOSA-N 341.451 4.131 0 40 EIAB Cc1cc(Cl)ccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225073413 ZSOXKQIIGXPISZ-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cn1 225910637 JJLBGVMPRFRGJA-HNAYVOBHSA-N 334.460 4.184 0 40 EIAB CC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2ccnc(-c3ccco3)c2)n1 901966491 OARXXKDXRKDZJI-CZUORRHYSA-N 339.395 4.310 0 40 EIAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc(F)c2)S3)cc1 107816 JWUSZJNQQFALPG-OAHLLOKOSA-N 339.395 4.270 0 40 EIAB Sc1nnc(-c2ccco2)n1-c1ccc(OCc2ccccc2)cc1 128024 QXDIZBGNNXNFHG-UHFFFAOYSA-N 349.415 4.395 0 40 EIAB CC(C)(OC(=O)c1cc2ccccc2oc1=O)C(Cl)(Cl)Cl 339238 JNTOAWKBUSIURU-UHFFFAOYSA-N 349.597 4.099 0 40 EIAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccccc1 427389 IINYRABMNQDUHD-UHFFFAOYSA-N 343.839 4.257 0 40 EIAB Cc1cccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)c1 529820 JBAARRBGMOEUAB-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 555930 RAWIAEBHACDAQX-UHFFFAOYSA-N 339.420 4.124 0 40 EIAB CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 2306238 MRYJNXLXQXZWQO-OLZOCXBDSA-N 325.836 4.442 0 40 EIAB COc1ccc(CC(=O)OCc2csc(-c3ccccc3)n2)cc1 3275737 GWWHAJNSXBBHFJ-UHFFFAOYSA-N 339.416 4.105 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1N1CCCC1 3340361 GVLXACILWSEMRI-UHFFFAOYSA-N 348.805 4.097 0 40 EIAB COc1ccccc1-n1cnnc1SCc1cccc(Cl)c1 3391569 SRFFPJQZXGMHEE-UHFFFAOYSA-N 331.828 4.222 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 3552892 RANZEVSBFSFYNK-LLVKDONJSA-N 338.234 4.422 0 40 EIAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 3554619 PPJFLMQIJLARTE-UHFFFAOYSA-N 330.359 4.270 0 40 EIAB CCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1Cl 3623265 UMPIHWXZSMBGPZ-QGZVFWFLSA-N 345.826 4.073 0 40 EIAB CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccccc1C 4062582 DVHXDANUKAHRFU-UHFFFAOYSA-N 334.419 4.031 0 40 EIAB CCCSc1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079402 MRXNYSDCKODIFR-UHFFFAOYSA-N 331.825 4.085 0 40 EIAB Cc1nc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2n1 4241836 HWQPBKOJYVIPKJ-LLVKDONJSA-N 348.431 4.028 0 40 EIAB Cc1cccc(Nc2nc(C(=O)NCc3ccc(F)cc3)cs2)c1 4687896 BZRBYAMLVBTQAK-UHFFFAOYSA-N 341.411 4.264 0 40 EIAB COC(=O)c1ccc[n+]2c1S[C@@H](c1ccccc1)[C@H]2c1ccccc1 4721243 QOLQJCGZAPBVRP-MOPGFXCFSA-N 348.447 4.197 0 40 EIAB Cc1ccc(-c2nc(COC(=O)c3n[nH]c4ccccc34)cs2)cc1 5360718 JHHWZAOQJYYCCR-UHFFFAOYSA-N 349.415 4.352 0 40 EIAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 7308976 IJJFDLAIHWZLFF-MRVPVSSYSA-N 336.265 4.094 0 40 EIAB CCn1c2ccccc2c2cc(CNn3c(C)n[nH]c3=S)ccc21 7365432 PNKBSCWMPCKVNW-UHFFFAOYSA-N 337.452 4.121 0 40 EIAB CCCCc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 7453110 ZDZCVCREBCFBBP-UHFFFAOYSA-N 332.407 4.477 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1F 8241100 SLXZLAMGOGQRNM-LBPRGKRZSA-N 327.355 4.000 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 8556692 YXLZUPMTQGVXSP-UHFFFAOYSA-N 330.815 4.121 0 40 EIAB CSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12 8991979 JADSWLGLNDAIPY-UHFFFAOYSA-N 326.812 4.320 0 40 EIAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(O)c2ccccc12 9855885 OSHLLNIGFODLQU-UHFFFAOYSA-N 345.757 4.355 0 40 EIAB COc1cccc(C(=O)/N=c2/sc3c4ccccc4ccc3n2C)c1 11852833 TVFFJTYCUMFNJT-QZQOTICOSA-N 348.427 4.143 0 40 EIAB Cc1cc(C)nc(Oc2ccc(NC(=O)CCc3ccccc3)cc2)n1 12090144 KXFAENIGYHZJSX-UHFFFAOYSA-N 347.418 4.457 0 40 EIAB Cc1cc(-c2nn3c(-c4ccoc4C)nnc3s2)c2ccccc2n1 12391297 JGZYIVRJUYXVDM-UHFFFAOYSA-N 347.403 4.278 0 40 EIAB CC(C)[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 12974136 WFHCRXIWRFSFNO-SFHVURJKSA-N 336.439 4.139 0 40 EIAB COc1ccc(CN(Cc2ccncc2)CC2CCCC2)cc1OC 13989878 KDFXBZXLLNHLSO-UHFFFAOYSA-N 340.467 4.291 0 40 EIAB CC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 14258072 FZWNDNQTDJIEPC-UHFFFAOYSA-N 331.169 4.216 0 40 EIAB O=C1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCN1C1CCCCC1 15672992 RNURTBVPRVXOOO-PMACEKPBSA-N 340.511 4.080 0 40 EIAB biogenic,in-vitro Cc1ccc2[nH]c(CN3CCC(n4nc(C)cc4C)CC3)c(C)c2c1 19658959 CSNVLQMMWFVRFP-UHFFFAOYSA-N 336.483 4.435 0 40 EIAB O[C@H](CNc1ccccc1)COc1ccc(OCc2ccccc2)cc1 19898674 AOALQQVJJFMFNX-HXUWFJFHSA-N 349.430 4.117 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(Cl)cc1 20042087 PZKIGTCQPOSJLW-KRWDZBQOSA-N 331.843 4.431 0 40 EIAB CCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1 22062052 FXGVSJMCMKYYLI-UHFFFAOYSA-N 340.783 4.188 0 40 EIAB CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2cc(C)ccc21 22234821 APNUTRHAKZSACO-UHFFFAOYSA-N 338.382 4.030 0 40 EIAB O=C(NOCc1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 25284705 MLPHJYXUVMDBNG-UHFFFAOYSA-N 329.827 4.400 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)n1 27970416 CVHMPBZQAIXFBK-QGZVFWFLSA-N 345.446 4.140 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(Cl)s1 28410596 SYMNZGFDTCAHDB-CMPLNLGQSA-N 336.844 4.286 0 40 EIAB C[C@H](NC(=O)CC1(C(=O)O)CCCCCC1)c1cc2ccccc2o1 29010825 WKESLHLKYOXSTN-AWEZNQCLSA-N 343.423 4.425 0 40 EIAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 31903453 WYJDONXUEUODGG-GOSISDBHSA-N 347.462 4.201 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)c1ccc(Oc2ccccc2)nc1 40141923 VZQWBMKSDLALIY-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB Fc1ccc([C@H](NC(=S)NC2CC2)c2ccccc2Cl)cc1 44238139 IUXIZWHUAAXOQX-INIZCTEOSA-N 334.847 4.195 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 44903848 DJHHDGCSKSDSOW-DNVCBOLYSA-N 329.415 4.477 0 40 EIAB CCCOc1ccc([C@@H](C)NC(=O)CCc2ccsc2)cc1OC 48361770 ZXBMXYOYZDATFF-CQSZACIVSA-N 347.480 4.356 0 40 EIAB O=C(OC[C@H]1CCOC1)c1cc(-c2cccs2)nc2ccccc12 50472897 NDLDPCYECZUVRU-ZDUSSCGKSA-N 339.416 4.157 0 40 EIAB Cc1c(C(=O)NC2CCCCCCC2)nnn1-c1cccc(Cl)c1 51317621 XHTOHBADFSYEBL-UHFFFAOYSA-N 346.862 4.072 0 40 EIAB COc1cc(OC)c(NC(=O)Nc2cccc(F)c2C)cc1Cl 51354561 QIOSAJOYUWEFHE-UHFFFAOYSA-N 338.766 4.449 0 40 EIAB O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccccn1)C1CC1 52552821 QUESNKAFUMNWLO-UHFFFAOYSA-N 336.366 4.286 0 40 EIAB O=C(NCCCc1ccccc1)c1cc(-c2ccccc2Cl)[nH]n1 57413572 ZFSJPWFWESAHID-UHFFFAOYSA-N 339.826 4.093 0 40 EIAB Cc1noc(-c2ccccc2NC(=O)c2cnc(C(C)(C)C)s2)n1 58174895 MQIOUTIKQXJMFN-UHFFFAOYSA-N 342.424 4.051 0 40 EIAB COc1c(Cl)cccc1NC(=O)N1CCC(n2cccc2)CC1 58642679 XHBNAVDHWFSPEQ-UHFFFAOYSA-N 333.819 4.019 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@H]1CCCc2ccccc21)C3 61997718 ACEBAOYNILNPCN-IBGZPJMESA-N 347.414 4.331 0 40 EIAB biogenic CCc1noc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 64580056 GNCJQPZBZKZXQX-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB COC(=O)c1cc2cc(NC(=O)/C=C/c3ccccc3F)ccc2o1 69414500 DTTRKYGLMNDISM-RMKNXTFCSA-N 339.322 4.010 0 40 EIAB C[C@@](NC(=O)c1cc2ccccc2c(Cl)n1)(C1CC1)C(F)(F)F 72307903 RXZXNZMVVFVXMO-OAHLLOKOSA-N 342.748 4.349 0 40 EIAB CCOc1ccc(-c2nc(-c3cccc(F)c3)n[nH]2)cc1OCC 85385209 LHNAOTRGPLOFFG-UHFFFAOYSA-N 327.359 4.075 0 40 EIAB CO[C@@H]1CCCN(c2ccc(NC(=O)Nc3cccs3)cc2)C1 96122500 VUVJTAKOEIBBSB-OAHLLOKOSA-N 331.441 4.007 0 40 EIAB CCO[C@@H](C)c1nc(CC(=O)NCc2c(C)cc(C)cc2C)cs1 96409203 RGQVFOOWMBLQRY-HNNXBMFYSA-N 346.496 4.025 0 40 EIAB Clc1ccc(-c2nc3n(c2NC2CCCCC2)CCNC3)cc1 100464967 KIEGBASIIWCCJU-UHFFFAOYSA-N 330.863 4.051 0 40 EIAB Cc1nscc1C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 179700648 AIHFUYZMZKMGLH-INIZCTEOSA-N 342.464 4.109 0 40 EIAB CCC[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 191197834 ISPHZOSQQGYCCD-KRWDZBQOSA-N 332.469 4.077 0 40 EIAB CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(Cl)cc1)c1cccnc1 195534812 LAFBKDIAPSSYEF-LMMKCTJWSA-N 340.854 4.329 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)cc3)N21 222640970 YJUBCOGPGQIXLE-JCGIZDLHSA-N 339.464 4.070 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCCSC1CCCCC1 222832554 SCTKHKOKWGNXDR-UHFFFAOYSA-N 343.492 4.401 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc2ccccc2c1 223621251 MIZUYYSLFBPMFA-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB S=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225324372 ALDWHKDOQNOJGR-LBTNJELSSA-N 330.497 4.483 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccccc1OC 225568317 BVFHQXBQJGBSNJ-DYVFJYSZSA-N 347.842 4.383 0 40 EIAB Cc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1C 225843123 LGUFDMBNLOZYCA-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB S=C(Nc1ccncc1)NC1(c2ccccc2Cl)CCCC1 225874351 QXWPHVHKRICYEB-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 225887215 XCYYDUVXFPKOQD-IBGZPJMESA-N 330.428 4.167 0 40 EIAB Cc1cc(CC2CCN(C(=O)c3cccc4ncccc34)CC2)ccn1 257327956 XDMZGBGXTKBWFM-UHFFFAOYSA-N 345.446 4.033 0 40 EIAB Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)cc(C)c1OC(F)F 511302607 VLWAEFITLVLWRQ-UHFFFAOYSA-N 331.322 4.033 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1ncc(-c2ccccn2)s1 553110519 CRUGNVMKENLFBV-UHFFFAOYSA-N 339.420 4.245 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccccc1F 606440725 VILXWKXNGQWMDE-CYBMUJFWSA-N 347.436 4.079 0 40 EIAB S=C(NCCC1=CCCCC1)Nc1ccc(Br)cn1 8582 DMUWBIHBABUYBI-UHFFFAOYSA-N 340.290 4.021 0 40 EIAB Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2O)cc1 24114 WJELDEPSUYKBHS-UHFFFAOYSA-N 340.604 4.369 0 40 EIAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)cc3C)C2=O)cc1 121636 FYMRMCQHYHOCDK-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 514186 JLXJJERXHHGQKH-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C)cc1 2626863 JWAWSHGENGVJKS-UHFFFAOYSA-N 333.453 4.102 0 40 EIAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccccc1F 3195886 XFUGLTLQINBWPQ-BQYQJAHWSA-N 349.287 4.052 0 40 EIAB COc1ccc(CNc2nc(C)nc3sc4c(c23)CCCC4)cc1 3278372 OZNUEBDRZHIVSU-UHFFFAOYSA-N 339.464 4.499 0 40 EIAB COCCN(Cc1ccccc1)C(=S)Nc1ccc(C)c(C)c1 3327020 CQRDPPXBYJRPIE-UHFFFAOYSA-N 328.481 4.149 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC 3330896 UKRLRTIJMNEKKN-UHFFFAOYSA-N 339.313 4.154 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)CCCC2 4059539 NGUMGFZDXICMOY-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB N=C(N)SCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 4119769 FZXKTIQFHRPASK-UHFFFAOYSA-N 342.855 4.319 0 40 EIAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C 4995059 BZKGXUNZTNHGAY-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 6577800 POCFCSWCKQCOOT-HNNXBMFYSA-N 349.386 4.186 0 40 EIAB aggregator CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1 6654317 ZUQIZFRGNUXFDX-UHFFFAOYSA-N 337.350 4.218 0 40 EIAB CC(C)[C@@H](NC(=O)c1cccc(F)c1)c1ccc2c(c1)OCCCO2 6789989 AQRSOSKZIZNIOS-LJQANCHMSA-N 343.398 4.114 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1ccco1 6822016 QXIRBTGCWZLPLL-UHFFFAOYSA-N 330.387 4.218 0 40 EIAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1 7016085 FPVIJDCOXHHDEQ-UHFFFAOYSA-N 342.420 4.291 0 40 EIAB Cc1cc2nc(NCCc3ccc(Cl)cc3)c3ccccc3n2n1 7735847 YOTNPPCMWGHTBD-UHFFFAOYSA-N 336.826 4.499 0 40 EIAB Cc1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 8603530 ODDBLJYENUSBAP-UHFFFAOYSA-N 348.427 4.310 0 40 EIAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)cc1 9204858 PFIXLXJBDSEONI-UHFFFAOYSA-N 339.366 4.270 0 40 EIAB Cc1cnc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)s1 10556952 LLWMDCHSPLCECG-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB COc1ccc(NC(=O)[C@H](Sc2ccc(OC)cc2)C(C)C)cc1 10974710 MDGLMWIFCHWIRK-GOSISDBHSA-N 345.464 4.459 0 40 EIAB O=C(CNc1ccccc1F)N[C@H](c1ccccc1)c1cccs1 11127166 SUUOVSFIJUFVSR-LJQANCHMSA-N 340.423 4.205 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)C1(C)C 11263103 QBTYTGNUKYWESL-QFBILLFUSA-N 340.419 4.383 0 40 EIAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccco1 11612207 AWEYZPWKSNLIRH-UHFFFAOYSA-N 327.361 4.047 0 40 EIAB O=C(c1cccc(OC(F)F)c1)N1CCCSc2ccccc21 12850013 KQGGZQHWTGFLPK-UHFFFAOYSA-N 335.375 4.431 0 40 EIAB Cc1ccc(NCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1F 12889442 UHYKMHPWWLIYGT-AWEZNQCLSA-N 344.455 4.464 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 14128536 MDZBSEGCTGDDNG-UHFFFAOYSA-N 349.409 4.161 0 40 EIAB CN(CC(=O)NCCC1=CCCCC1)[C@@H]1CCCc2ccccc21 15261673 GHJBLJSCXHLLLE-HXUWFJFHSA-N 326.484 4.003 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)n1 15564080 HEXIEGYNWRQDOI-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB O=C(CCOc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 16005316 GSSUQUPFCMCUSB-UHFFFAOYSA-N 341.741 4.349 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)cc1 20492253 LCUNAORBGAORJN-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB Cc1sc2ncnc(SCc3nnsc3Cl)c2c1C 21666233 GXEJRKOOIIHXIS-UHFFFAOYSA-N 328.875 4.105 0 40 EIAB CC(C)N(CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(C)C 22623186 DVVFJFJJBHHBTR-UHFFFAOYSA-N 348.874 4.449 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(-n2cccn2)cc1 24570877 XYNKRUKVHMOWBT-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)C1CCCC1 25366372 BCZJWWKUANELAF-UHFFFAOYSA-N 349.430 4.183 0 40 EIAB Cc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 27222453 FNHPKSWLKADVRY-NRFANRHFSA-N 331.463 4.407 0 40 EIAB CCN(CC)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 27475132 RAKMOJQEANPDRE-UHFFFAOYSA-N 343.814 4.268 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2N(C)C)c1 32925784 RTTJOZQGBQVEJR-ZHACJKMWSA-N 330.815 4.067 0 40 EIAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccccc1F 33326248 RQIPRZIYDVUHDS-UHFFFAOYSA-N 342.395 4.042 0 40 EIAB Cc1cccnc1NC(=O)c1csc(-c2cc3ccccc3[nH]2)n1 36708166 XQXAMCZDEZRZQZ-UHFFFAOYSA-N 334.404 4.247 0 40 EIAB O=C(O)c1cn(-c2ccccc2)nc1-c1ccc(Br)s1 38002143 MNRMKPDNHAAEBS-UHFFFAOYSA-N 349.209 4.062 0 40 EIAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccccn1 41136004 YFYWUZKJGVFPIF-INIZCTEOSA-N 328.824 4.316 0 40 EIAB O=C(Nc1ccccc1Cn1cccn1)N[C@@H]1CCCc2ccccc21 44268484 XHFRLXGXZDJDGY-HXUWFJFHSA-N 346.434 4.131 0 40 EIAB COc1ccc(SCC(=O)Nc2cccc(SC)c2)cc1OC 44885530 NGWNJBKOXOWLBO-UHFFFAOYSA-N 349.477 4.157 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 44947647 MQPATGIDJWKXKR-INIZCTEOSA-N 341.451 4.292 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)Nc1cccc(Br)c1 51354349 RKRJSFVBUNOMKZ-UHFFFAOYSA-N 327.128 4.371 0 40 EIAB Cc1ccc(CN(C(=O)c2cc(-c3cccnc3)on2)C(C)C)s1 57401947 NLEQIJWEALDSDL-UHFFFAOYSA-N 341.436 4.157 0 40 EIAB C[C@@H](NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl 58144722 FJNBLSCYBRAUIU-LLVKDONJSA-N 348.233 4.221 0 40 EIAB Cn1cnn(CNC2(c3ccc(Cl)cc3)CCCCC2)c1=S 58161867 GFUDZQSOAQISAS-UHFFFAOYSA-N 336.892 4.011 0 40 EIAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2sccc2C2CC2)cc1 58330465 PBDBHNGZMLMTQQ-GFCCVEGCSA-N 342.464 4.465 0 40 EIAB COc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1OC 59393907 MPKIWKFYDOXFLQ-UHFFFAOYSA-N 346.736 4.383 0 40 EIAB Cc1ccc(-c2nnc(SCc3cn4ccsc4n3)o2)cc1 64308330 SNBDXYACAKDADB-UHFFFAOYSA-N 328.422 4.047 0 40 EIAB CN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1OC2 65492969 SIIUDKGPDMWHEK-UHFFFAOYSA-N 342.445 4.036 0 40 EIAB Cc1csc(C(C)(C)NCc2coc(-c3ccc(F)c(F)c3)n2)n1 71911971 MXTGPYUNBVTKQY-UHFFFAOYSA-N 349.406 4.410 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 72265316 JXBGUDVAIUJGHU-ZIAGYGMSSA-N 329.396 4.199 0 40 EIAB C[C@@H](C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1)n1ccnc1 79073573 RDDBNXWRGRKCHJ-MGPUTAFESA-N 345.402 4.096 0 40 EIAB Cc1cc(C)n2cc(CN(C)Cc3cccc4ccccc34)nc2n1 84109994 VUQFPISUOLFJFQ-UHFFFAOYSA-N 330.435 4.131 0 40 EIAB Cc1ncc(Cl)c(C(=O)N(CC(F)F)c2cccc(Cl)c2)n1 84290495 NMDLKSGQUNIIKZ-UHFFFAOYSA-N 346.164 4.004 0 40 EIAB CCN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC 84760871 WQGCGJIKBZTWSZ-UHFFFAOYSA-N 334.419 4.140 0 40 EIAB CCOC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 84801078 YSQQKJNSSLFBLW-CABCVRRESA-N 342.266 4.124 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc2[nH]ccc12 95473114 MZHOOAADUZQETE-UHFFFAOYSA-N 331.375 4.394 0 40 EIAB CC[C@@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1 96097050 AFAQTQXKMTVJIJ-QGZVFWFLSA-N 335.407 4.101 0 40 EIAB c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)cc1 103562259 ADYNDGBDWNQGKT-CTNGQTDRSA-N 327.387 4.324 0 40 EIAB CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccccc1 113933013 NJTIJIFLENNBAP-SFHVURJKSA-N 329.465 4.196 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(F)cc1 113970488 OLHVYIYQMYVJDA-QGZVFWFLSA-N 335.806 4.261 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccc(C)nc12 206761297 JJSQSFHCJUMSNH-XYPWUTKMSA-N 326.465 4.042 0 40 EIAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(F)c(Cl)c1 222558256 KTPIDDPDPGYFCM-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223538723 AHKOUJFSPLJTIG-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB S=C(c1c(-c2ccccc2)ssc1=S)N1CCOCC1 223813643 JJLWELAKZRQEOJ-UHFFFAOYSA-N 339.532 4.214 0 40 EIAB Cc1cccc(OCCNC(=O)/C=C/c2ccccc2Cl)c1C 223897625 FECUOKFECOAJNA-ZHACJKMWSA-N 329.827 4.165 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccccc1F 225234913 DNZMYLJCPFWIRM-UHFFFAOYSA-N 331.456 4.196 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)c1cc2ccccc2o1 225644519 WFNALGLBKRBYEE-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB O=C(Cc1cccc2ccccc12)NCc1ccc(-c2ccco2)nc1 225752470 VOBZBYASTVCGQY-UHFFFAOYSA-N 342.398 4.354 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1 226039333 ZGJCLVUDDWWCSG-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 226265953 VNYUKQWNMGSTDQ-HNNXBMFYSA-N 337.467 4.462 0 40 EIAB Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)c3cc(C)sc3C)C2)[nH]n1 282423758 LZXHLTPAEIUWKL-UKRRQHHQSA-N 346.500 4.047 0 40 EIAB O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1F 408575345 KBOJVQYDHLAKJQ-UHFFFAOYSA-N 341.810 4.281 0 40 EIAB Cn1c(SC(=O)c2ccc(Br)cc2)nc2ccccc21 408672107 ZLRAMAVJMZBRGH-UHFFFAOYSA-N 347.237 4.268 0 40 EIAB Clc1ccc(CCc2nc(-c3ccc4c(c3)OCCO4)no2)s1 546977832 XQQWZQCMMZMYBI-UHFFFAOYSA-N 348.811 4.008 0 40 EIAB O=C(CCc1ccc(F)c(Cl)c1)NCc1ccc(C2CC2)nc1 585150203 JYVRQIIULINNEJ-UHFFFAOYSA-N 332.806 4.001 0 40 EIAB CC1(C)C[C@]2(CCCN2C(=O)c2ccco2)CN1c1ccc(F)cc1 1615118954 GDMWZYDOLDLZRP-HXUWFJFHSA-N 342.414 4.082 0 40 EIAB O=Cc1ccc(-c2cnc(-c3ccc(C=O)cc3)c3nsnc23)cc1 2049305474 SDULRKVMCJLTDI-UHFFFAOYSA-N 345.383 4.045 0 40 EIAB CCOc1ccc(C(=O)C[C@H](SC2CCCCC2)C(=O)O)cc1 44550 INHUZLKXQZRMLW-KRWDZBQOSA-N 336.453 4.177 0 40 EIAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1F 140451 JVUSVLUQMXGABO-UHFFFAOYSA-N 331.771 4.036 0 40 EIAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)cc1Cl 252334 VXXNAMOTDAJSFK-CYBMUJFWSA-N 339.826 4.056 0 40 EIAB FC(F)(F)c1cccc(-c2nnnn2Cc2cccc(Cl)c2)c1 1405236 AVYHAEHFHGVQPV-UHFFFAOYSA-N 338.720 4.061 0 40 EIAB COc1ccc2cc(CN3CCC(C4CCNCC4)CC3)ccc2c1 1649605 JWIRKYARTIDFII-UHFFFAOYSA-N 338.495 4.060 0 40 EIAB O=C(COC(=O)CCC1CCCC1)Nc1cccc(Cl)c1Cl 3315570 MHHMCILBLQVZEG-UHFFFAOYSA-N 344.238 4.446 0 40 EIAB CC(=O)Nc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 3325279 FVTGSCIREAFTPZ-UHFFFAOYSA-N 336.363 4.212 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)CSCc1nc2ccccc2s1 5062672 CIJCSNHYAHRNAI-STQMWFEESA-N 334.510 4.224 0 40 EIAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 5622420 WDASPHOWCMDHSK-SNVBAGLBSA-N 326.343 4.220 0 40 EIAB COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 6152217 DPXAZPDOZOINMT-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB CC(C)COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 6364528 LTHZWPSGUUBMMQ-UHFFFAOYSA-N 327.468 4.420 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 7650808 BJESLVDNAHDELQ-CQSZACIVSA-N 349.789 4.155 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1F 7706065 CTANWJBFNRZQKU-JTQLQIEISA-N 332.375 4.408 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCSc2ccccc21 7814065 QIELKCJJAIYDRZ-BLLLJJGKSA-N 347.867 4.461 0 40 EIAB CC(C)c1ccc(CN(C(=O)c2cn3ccccc3n2)C2CC2)cc1 8725439 SPXLNDKALTYGLF-UHFFFAOYSA-N 333.435 4.263 0 40 EIAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(N)c1 8782748 BVMLGIDRODFNIZ-WHSLLNHNSA-N 339.435 4.432 0 40 EIAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccccc1 9515190 DEMLDEBCWHKZNN-UHFFFAOYSA-N 332.197 4.051 0 40 EIAB Cc1ccc(CCCNC(=O)c2ccc(OC(F)F)cc2)c(C)c1 10294092 QMHVSJYCRUVHBV-UHFFFAOYSA-N 333.378 4.267 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(C)c1 10447241 VXAKXOQACDSMNG-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB O=C(Cc1cccc2ccccc12)NCC1(c2ccc(F)cc2)CC1 11899792 KVSHJPCWPMHQPV-UHFFFAOYSA-N 333.406 4.369 0 40 EIAB Cc1ccc(CC(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 12292939 JZNOPVCFEPTWLC-UHFFFAOYSA-N 340.423 4.363 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccsc2)no1 12976058 DHUWMXGIQYNNIU-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB Cc1ccc2cc(CNCc3ccc4c(c3)OCO4)c(Cl)nc2c1 13999033 KGQRVZYZFCOXKZ-UHFFFAOYSA-N 340.810 4.215 0 40 EIAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(Br)cc1 14391121 QVQRGHRUWJOICY-SECBINFHSA-N 340.167 4.218 0 40 EIAB Cc1ccc(/C=C/C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)o1 21989872 WVXGCUCKEMUTIE-CMDGGOBGSA-N 344.754 4.048 0 40 EIAB c1ccc(Oc2ccccc2CSc2nc3ncccn3n2)cc1 22133244 SYLCCAJNWIRXEE-UHFFFAOYSA-N 334.404 4.209 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 22763596 BVZJNRTVFVITJB-BPNCWPANSA-N 349.780 4.345 0 40 EIAB COc1cc(OC)c(CN[C@@H](C)c2ccccc2Cl)c(OC)c1 22781162 DDWDDLGMHNETGW-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB CCOc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)ccc1O 23170912 LESXJAGTOHSPCR-UHFFFAOYSA-N 337.423 4.112 0 40 EIAB C[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)C1CC1 23864894 BWJHZWYONQOHSB-ZDUSSCGKSA-N 337.448 4.129 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 25470224 NBAYLJLPBUZJKW-GFCCVEGCSA-N 336.435 4.070 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1ccc(F)cc1)c1ccccc1Cl 27579720 AQXYUIWCSUQOFR-SFHVURJKSA-N 348.849 4.292 0 40 EIAB Brc1ccccc1OCc1nnc(-c2cccs2)o1 27672685 PXJVEKFZLRJMKS-UHFFFAOYSA-N 337.198 4.140 0 40 EIAB Cc1ccccc1[C@@H](Sc1nc2ncccn2n1)c1ccccc1 28190117 LKNVRYXZNRWMPD-KRWDZBQOSA-N 332.432 4.314 0 40 EIAB O=C(Nc1cccc(O)c1)c1cc(-c2ccncc2)nc2ccccc12 31820933 QDHQDTVIBHBJAT-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB Cc1cccnc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 32100580 CQQUKQJCDFXPJU-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB Cc1cnc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cn1 32845935 JVOKHQHCAACQIJ-HXUWFJFHSA-N 343.386 4.051 0 40 EIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC[C@H]1C 41096661 OFNGHQXIAQBOCU-OAHLLOKOSA-N 339.501 4.080 0 40 EIAB O=c1[nH]c(COc2ccccc2)nc2scc(-c3cccs3)c12 42138658 VTDBCTQIWGVWDN-UHFFFAOYSA-N 340.429 4.292 0 40 EIAB c1ccc(C2CCC(NCc3c[nH]nc3-c3cccnc3)CC2)cc1 42927227 LMONLBSPHDHWNG-UHFFFAOYSA-N 332.451 4.288 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@H](c2ccsc2)SC1 44890397 WLSGPVBJMDPCFO-HNNXBMFYSA-N 327.434 4.358 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCC2 45456868 VTVACYSZOIBQCL-UHFFFAOYSA-N 337.391 4.158 0 40 EIAB Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2C)cc(C)c1Cl 45890309 NSXQMOLSOXLJAI-UHFFFAOYSA-N 332.831 4.173 0 40 EIAB Cn1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)n1 47210876 MIJWSYVBGFMMNV-UHFFFAOYSA-N 345.324 4.358 0 40 EIAB CN(c1ccccc1)c1ccccc1NC(=O)NCC[C@@H]1CCCO1 48251166 FLVRNRJMJFYOIN-KRWDZBQOSA-N 339.439 4.145 0 40 EIAB Cc1nn(C)c2c1[C@H](c1c(Cl)cccc1Cl)SCC(O)=N2 49545506 VSMAMMDPZUUIME-CYBMUJFWSA-N 342.251 4.460 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4cc(Cl)ccc4o3)nc12 57352686 ZKZHIWWSDGFFMK-UHFFFAOYSA-N 346.799 4.425 0 40 EIAB COCCNC(=S)Nc1ccc(Oc2cccc(Cl)c2)cc1 57815771 PYLGAZUOHFAIPL-UHFFFAOYSA-N 336.844 4.065 0 40 EIAB CC(C)N(C(=O)Cc1csc(-c2cccnc2)n1)C1CCCCC1 58246557 DLWSINMHCQGKEP-UHFFFAOYSA-N 343.496 4.317 0 40 EIAB Cc1csc([C@@H](NC(=O)N(C2CC2)[C@@H](C)c2ccco2)C2CC2)n1 86424501 ISMGKSAGPYIYAM-LRDDRELGSA-N 345.468 4.431 0 40 EIAB C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccccc1OC(F)F 95419989 OWPWMIUQAZSDTN-AWEZNQCLSA-N 347.409 4.134 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC/C1=C\C(=O)OCc1ccccc1 96528491 VGSNCHFFBPCPRF-SAPNQHFASA-N 345.439 4.425 0 40 EIAB O=C1C=C/C(=N\Nc2ccccc2Br)c2ccccc21 101111133 UYXXCGBBLXLBLF-NBVRZTHBSA-N 327.181 4.018 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104811126 YUZFMXQYJUTJQR-RPCCPQHDSA-N 333.859 4.244 0 40 EIAB CCc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)n1CC 216100849 RVXGKLHKBHYJOR-UHFFFAOYSA-N 344.267 4.142 0 40 EIAB CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219277225 ZUMFQKUFGFUQDM-GOSISDBHSA-N 341.451 4.131 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCSC2CCCC2)ccc1Cl 223871903 DUNXOUMSPSAZRR-CYBMUJFWSA-N 341.904 4.208 0 40 EIAB Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1 224281955 QRSPMQFWZDKWCK-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB CCC[C@H](C)NC(=S)Nc1nc(C)cc(Nc2ccc(F)cc2)n1 225204963 BGQKMTKXFWXSSZ-NSHDSACASA-N 347.463 4.143 0 40 EIAB Cc1nc(/C=C2/SCCN2C(=O)c2ccc(Cl)cc2)cs1 225258591 KVRAAUGPEPNMJM-RIYZIHGNSA-N 336.869 4.293 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(Cl)c1 409183486 TWGOMGFIXMUHNI-UHFFFAOYSA-N 334.828 4.029 0 40 EIAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1O2 603657252 AAADMDPKRDZDEE-IIAWOOMASA-N 344.798 4.033 0 40 EIAB O=C(OCCCC(F)(F)C(F)(F)Br)c1ccccc1 1083811031 OIZGULMFNXFLDK-UHFFFAOYSA-N 343.114 4.247 0 40 EIAB CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 206853 AWMBSUJUMXNJPS-UHFFFAOYSA-N 326.783 4.369 0 40 EIAB Cc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c1 422929 YNGAATVRGZSMNI-QAPCUYQASA-N 328.799 4.418 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccccc1 1377821 DZORMPAXYITINQ-AYHJJNSGSA-N 340.492 4.064 0 40 EIAB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)N3CCCC3)c2n1 1430427 BPHHTBGLRDHXLI-UHFFFAOYSA-N 325.195 4.445 0 40 EIAB COc1ccc(CCC(=O)Nc2nc3ccc(F)cc3s2)cc1 2657460 GOTMHSXUWSHJKA-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSc2cc(C)ccc2C)s1 3229528 VQAMVHPQBFVYIR-UHFFFAOYSA-N 349.477 4.272 0 40 EIAB c1ccc2c(-c3nnc4n3CCCCC4)cc(-c3ccncc3)nc2c1 3265023 HKYTYVZSHVQYPG-UHFFFAOYSA-N 341.418 4.282 0 40 EIAB C[C@H](C(=O)N1CCCc2ccccc21)N1CC=C(c2ccccc2)CC1 3333754 LSELBJCWNXPLQC-GOSISDBHSA-N 346.474 4.144 0 40 EIAB Cc1sc2nc(-c3cccnc3)nc(NCc3ccncc3)c2c1C 3408615 BGIIHMSUECQIQK-UHFFFAOYSA-N 347.447 4.377 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)c(Cl)c2)c1C 3587730 SKRPTSTZZRMBHP-UHFFFAOYSA-N 340.206 4.403 0 40 EIAB O=C(c1cccs1)N1CCN=C1SCc1cccc(Cl)c1 4120634 OLYCSMIBFPPELK-UHFFFAOYSA-N 336.869 4.147 0 40 EIAB COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 4723914 UOAPWDYNUBZJBX-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CCc1ccc(NC(=O)Nc2cn(CCOC)c3ccccc23)cc1 5266473 ONOQLCBBZNWFET-UHFFFAOYSA-N 337.423 4.494 0 40 EIAB CCOc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12 5268281 GZNQWXZTRGPTAI-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB c1csc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 5954792 CQNMCASGAWPODH-UHFFFAOYSA-N 342.493 4.382 0 40 EIAB CC(C)(C)N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 6563322 CZUOFLPTMXYWBA-VURMDHGXSA-N 346.271 4.042 0 40 EIAB CC(=O)c1cccc(NC(=O)COc2cc(C(C)C)ccc2C)c1 7968734 YXCYPAVVXQTZFR-UHFFFAOYSA-N 325.408 4.339 0 40 EIAB C[C@H](NC1CCCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 8186449 YTHSGZOZDBJQFU-KRWDZBQOSA-N 343.515 4.316 0 40 EIAB CCc1ccc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1 8324362 MJDLKJCITWRBPF-UHFFFAOYSA-N 346.810 4.016 0 40 EIAB Cc1s/c(=N\C(=O)c2cccc(F)c2)n(C)c1-c1ccc(F)cc1 8332464 LRLAECAGARRHJV-UZYVYHOESA-N 344.386 4.081 0 40 EIAB CC1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 8729298 UGFVPOAFYMHIDP-UHFFFAOYSA-N 331.419 4.169 0 40 EIAB Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 8844268 CJNNWFVQBPINAD-GFCCVEGCSA-N 349.456 4.256 0 40 EIAB CC(C)c1ccccc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 9901083 CNJPURDDLMNGMB-UHFFFAOYSA-N 348.446 4.255 0 40 EIAB Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccco3)o2)cc1 10217923 ZJBMTJLOOWEGCL-UHFFFAOYSA-N 343.408 4.149 0 40 EIAB O=C(CSCc1nc2ccccc2s1)Nc1ccc(F)cc1 11101616 JOGPECSRUKXWLQ-UHFFFAOYSA-N 332.425 4.307 0 40 EIAB CCCc1cc([C@@H]2CCCCCN2Cc2c(C)nn(C)c2C)no1 12186592 KYXBAPKZJLDAHM-IBGZPJMESA-N 330.476 4.095 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12550187 ZGLJFYWBJCSVTF-KRWDZBQOSA-N 337.467 4.424 0 40 EIAB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 16439856 JBXYNAYZYSWTFC-NTUHNPAUSA-N 341.754 4.102 0 40 EIAB Cc1cc(C)cc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)c1 18202273 GVDFDKDEHCKXDH-CQSZACIVSA-N 333.391 4.343 0 40 EIAB Cc1ccc([C@@H](O)CN2CCC(Oc3ccccc3F)CC2)c(C)c1 19132376 AWBJJOKBLWNPEA-FQEVSTJZSA-N 343.442 4.019 0 40 EIAB Fc1ccccc1CNc1nc(-c2ccncc2)cc2ncccc12 19349574 DEKCKILWILBIJX-UHFFFAOYSA-N 330.366 4.443 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20142171 IPMFTNJVEVIKHE-LLVKDONJSA-N 347.798 4.468 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2ncccn2)c(C(C)(C)C)c1 21211317 ARHBSYFGSFUEGH-UHFFFAOYSA-N 341.455 4.089 0 40 EIAB Cc1nc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)co1 22538570 KGLZBQFYHAKYOV-UHFFFAOYSA-N 338.207 4.273 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1 24959003 IDFVFCJWQBFWFK-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB COc1ccc(CNc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 25065216 NRLWUQPKCDJHBJ-UHFFFAOYSA-N 340.404 4.160 0 40 EIAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12 26939986 BRIYPKMAYOANGY-UHFFFAOYSA-N 343.386 4.461 0 40 EIAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c3c(ccc12)OCCO3 28629195 XSOYNTHRVSHSRL-UHFFFAOYSA-N 348.276 4.250 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1 30953459 VYNWQMBASQFYFI-UHFFFAOYSA-N 331.843 4.201 0 40 EIAB O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1 32397095 PRIQLJHURKCEMY-WMZOPIPTSA-N 327.449 4.099 0 40 EIAB Clc1ccc(-c2nnc3n2N=C(C2CCCCC2)CS3)cc1 32604239 YRMJOXDRZOXZLF-UHFFFAOYSA-N 332.860 4.489 0 40 EIAB O=C(NCCc1ccccc1F)c1cc(C2CC2)nc2ccccc12 32721463 FPQDULBAUJQBRY-UHFFFAOYSA-N 334.394 4.224 0 40 EIAB Cn1cc(CN2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)c2ccccc21 35446622 YNPAVLOOCJRGEG-AWEZNQCLSA-N 348.425 4.183 0 40 EIAB biogenic,in-vitro Cc1cc(Br)ccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 40103643 GACVPMNHIRNLIV-GHMZBOCLSA-N 325.250 4.267 0 40 EIAB O=C(NCc1ccc(Cl)cc1Cl)Nc1nnc(C2CC2)s1 43359491 XJHLFYFKQWEHHI-UHFFFAOYSA-N 343.239 4.044 0 40 EIAB COc1c(CN[C@H](C)c2cc3ccccc3o2)c(C(C)C)nn1C 58392181 MHJSINZVTIVHKP-CYBMUJFWSA-N 327.428 4.149 0 40 EIAB O=C(CN1CCc2ccccc21)Nc1ccc(NC2CCCCC2)cc1 58414286 QYHIWAQWKYXUTI-UHFFFAOYSA-N 349.478 4.432 0 40 EIAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccc(Cl)cc1 59462536 OZIIXOYRCUHEPX-XNTDXEJSSA-N 344.823 4.446 0 40 EIAB FC(F)(F)c1cccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1 60039412 MXLGLWYBRIRLJQ-KRWDZBQOSA-N 339.357 4.480 0 40 EIAB CCC[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3onc(C)c23)CC1 61297381 CVQNWBZRTDLMDJ-CQSZACIVSA-N 341.455 4.451 0 40 EIAB S=c1sc(SCc2nnc(C3CC3)o2)nn1-c1ccccc1 65532867 NBEZNQUMQNKTON-UHFFFAOYSA-N 348.478 4.216 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(Cl)c1 65549001 LUKWWHCPOOPVRH-GFCCVEGCSA-N 346.814 4.013 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 69634229 CHIJDLATCPBCSR-MRXNPFEDSA-N 343.442 4.384 0 40 EIAB Cc1csc(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n1 69845021 CAJKGXBRLAQOBN-UHFFFAOYSA-N 344.524 4.374 0 40 EIAB CCc1nnc(CN(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)o1 71855445 YDWPNZVGOUUELO-LLVKDONJSA-N 339.361 4.376 0 40 EIAB CN(c1ccccc1)c1ccccc1NC(=O)c1ccc2nccn2c1 83869657 KZCDRSNCNLQAFC-UHFFFAOYSA-N 342.402 4.355 0 40 EIAB O=C(Nc1cnn(-c2ccccc2F)c1)c1cccc(F)c1Cl 88232257 KZUMDEGGBIDCCN-UHFFFAOYSA-N 333.725 4.056 0 40 EIAB COc1cc(C)c(CN[C@@H](C)c2csc(C3CC3)n2)cc1OC 89570336 QEEXCXXOLRPDSB-LBPRGKRZSA-N 332.469 4.197 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1c1cn[nH]c1 89782945 QFFOTNGIXOEVGC-CQSZACIVSA-N 338.333 4.188 0 40 EIAB CCCOc1cc(C)ccc1NC1CCN(C(=O)c2ccoc2)CC1 95992555 YZOBKGGIHKRQFX-UHFFFAOYSA-N 342.439 4.094 0 40 EIAB CC(C)n1ccc2c(NC(=O)c3cc(-c4cccnc4)n[nH]3)cccc21 96117097 ADDGGWVNWRYQLM-UHFFFAOYSA-N 345.406 4.260 0 40 EIAB Cc1ncc([C@@H](C)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 97016666 LOSCESVVOJVBIJ-XIKOKIGWSA-N 347.409 4.423 0 40 EIAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 102298035 IDNGCYIMAWTMQX-SFTQSGBHSA-N 347.480 4.034 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 113968851 WCZGMRNKUQVLDA-CQSZACIVSA-N 347.842 4.131 0 40 EIAB COc1ccc(N2CC(Nc3cccc4ccccc34)=CC2=O)cc1 217424911 UHLQYJCAIPDRBB-UHFFFAOYSA-N 330.387 4.191 0 40 EIAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccncc1 223992320 WRHQEABRYHNFLZ-UHFFFAOYSA-N 325.481 4.270 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 224422052 HYGCEBDFEMBYJS-IRXDYDNUSA-N 325.452 4.497 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 224927221 DJDSCZGVMFKWST-KRWDZBQOSA-N 338.451 4.310 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(OC3CSC3)cc2)c(Cl)c1 225003676 GJCHOJCJBYIHRK-UHFFFAOYSA-N 333.840 4.395 0 40 EIAB CCN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1 225041745 SBTXKVXXZIEXFR-UHFFFAOYSA-N 325.433 4.363 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC[C@@H](C)c1ccccc1 225134143 CTOVXEOURMQADO-SJORKVTESA-N 337.463 4.253 0 40 EIAB COc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cn1 225766602 PTQMXHHPKATQND-GOSISDBHSA-N 343.496 4.391 0 40 EIAB C[C@H](NC(=O)c1snnc1-c1cccs1)c1ccc(Cl)cc1 225790860 ABUUBJRZRFXGCY-VIFPVBQESA-N 349.868 4.411 0 40 EIAB CCc1ccccc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225793090 SAKHMHDDFCOCDA-UHFFFAOYSA-N 331.419 4.191 0 40 EIAB CCCc1nnsc1C(=O)N[C@H](c1ccsc1)c1cccs1 390826782 PJWPWOPUMCBFRI-CYBMUJFWSA-N 349.506 4.133 0 40 EIAB Cc1ccccc1CSCCNC(=O)CCCOc1ccccc1 408703689 WWUROWNIYSNHRY-UHFFFAOYSA-N 343.492 4.204 0 40 EIAB CCCCCN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 409216350 KDCKKGUVGFXKHB-LCYFTJDESA-N 325.817 4.272 0 40 EIAB Cc1ccc2sc(C(=O)N3CCC[C@@H]3CN3CCCCC3)cc2c1 567089107 KYBKOSHXQLOURB-QGZVFWFLSA-N 342.508 4.300 0 40 EIAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 103034 CCMYZGLVHFRGRY-UHFFFAOYSA-N 328.462 4.048 0 40 EIAB Cc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)CC2=O 125018 YDYPQVKDHUKGLR-KRWDZBQOSA-N 330.767 4.221 0 40 EIAB biogenic CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Br 580012 NHKMHLVJGSTNAQ-OAHLLOKOSA-N 334.213 4.245 0 40 EIAB CCC(CC)c1nnc(NC(=O)c2ccc(Br)o2)s1 1284962 XFYHTLDRCMOIEA-UHFFFAOYSA-N 344.234 4.050 0 40 EIAB CCCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 2073485 SRKLEYIMOXIMSQ-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB CN(C(=S)NC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 2136804 SSENFVQTMPFEBP-UHFFFAOYSA-N 345.295 4.273 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccccc2SC)cc1OC 3326919 XOQPFFHLYWABDE-UHFFFAOYSA-N 331.437 4.458 0 40 EIAB COC(=O)CCSc1ncnc2sc(-c3ccccc3)cc12 3376508 KPGOFANLEHFASE-UHFFFAOYSA-N 330.434 4.014 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2C[C@@H]1C 3536932 WAZCBQXRSYKZJA-ZDUSSCGKSA-N 344.842 4.047 0 40 EIAB COc1ccc(CCC(=O)Nc2nc3c(C)cccc3s2)cc1 3558866 DMFHBGQLIPDBML-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1 3561004 MCRMSCCLEWAGJQ-IZZDOVSWSA-N 337.297 4.246 0 40 EIAB O=C(c1c(F)cccc1Cl)N1CCN=C1SCc1ccccc1 4119817 BNHZMBUTNJAWPT-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 4682349 MDEYRTUQMGOQNP-UXBLZVDNSA-N 344.867 4.483 0 40 EIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(SC)cc1)C2 4887319 WCAAHOPXHGWTEM-ALOPSCKCSA-N 347.528 4.326 0 40 EIAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 5559027 WHNRJUOBATWZBD-CMDGGOBGSA-N 326.377 4.064 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 5842047 BDTFKPBQRKWJGK-UHFFFAOYSA-N 340.423 4.321 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CS[C@@H](C)c1ccccc1 6560354 LAOOPSQLLGUFAD-AWEZNQCLSA-N 345.464 4.485 0 40 EIAB O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(Cl)cc1 7007675 NMLXKLXHKCAIEE-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 7223376 YCIYZXVKMDIMDU-SNVBAGLBSA-N 339.222 4.441 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H]2CCSc3ccccc32)cc1 7779163 PVQJGDPXLGSSPE-VGMNTSGFSA-N 325.433 4.062 0 40 EIAB CC(C)Oc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 7988450 ZFYXHRIUMBAMMH-QGZVFWFLSA-N 327.449 4.441 0 40 EIAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 8285356 WRBNLHDRLPDVLG-NSHDSACASA-N 341.304 4.101 0 40 EIAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)cc1 8372041 XWFFZRQLDWULHB-VZCXRCSSSA-N 340.423 4.251 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 8776659 PBECZUYUYPMGRQ-SSDOTTSWSA-N 345.201 4.157 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccccc1OC 9336433 CAGCNBLECVIQKM-GFCCVEGCSA-N 348.830 4.105 0 40 EIAB NC(=O)[C@@H](SC1=Nc2ccccc2CS1)c1ccc(F)cc1 11268338 ICEJEZOCOPCURN-AWEZNQCLSA-N 332.425 4.020 0 40 EIAB COc1cccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)c1 11693179 PDOKYSQUIAWNRT-UHFFFAOYSA-N 342.782 4.185 0 40 EIAB Cc1cccc(C)c1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619271 PSKBXEVPXHGEGX-GOSISDBHSA-N 325.408 4.114 0 40 EIAB CC[C@H](NC(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccc(C)cc1 17841641 WOZHZIFEIWFGGB-KRWDZBQOSA-N 335.403 4.291 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(Cl)c2)c1 18182103 SXGUVBMCOASEMI-LLVKDONJSA-N 334.803 4.240 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CN(C)c3ccccc3)c2)cs1 18903915 KTTBKPLIRHOHRL-UHFFFAOYSA-N 337.448 4.193 0 40 EIAB CCOC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 20982053 KLUXBSBDUZJGFT-UHFFFAOYSA-N 349.386 4.034 0 40 EIAB C[C@H]1C[C@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182707 KHNHTFMVZRQCPT-GZMMTYOYSA-N 326.343 4.423 0 40 EIAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Cl)cn1 32714804 WLRXDGDTFZKOID-UHFFFAOYSA-N 325.799 4.081 0 40 EIAB Cc1oc(-c2ccccc2)nc1CSCC(=O)NC1CCCCC1 36392562 RYRAUZPYHIHYFT-UHFFFAOYSA-N 344.480 4.332 0 40 EIAB Cc1ccc(Nc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)nn1 36705711 BPJNSXXHNQYQKT-UHFFFAOYSA-N 343.390 4.262 0 40 EIAB CCCSc1nnc(NC(=O)CSc2ccc(C)cc2)s1 40994489 KJGZDYDSJRJKLO-UHFFFAOYSA-N 339.511 4.079 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(C)=O)c1 44945872 OLLAZJYETZINSE-IBGZPJMESA-N 325.408 4.302 0 40 EIAB O=C(O)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327474 WEIIMVPMKWWJKH-UHFFFAOYSA-N 335.075 4.426 0 40 EIAB CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 58147709 LZIGBZDRAGBKRC-UHFFFAOYSA-N 332.831 4.413 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 58265788 WEPDCJRQKSPAPB-LLVKDONJSA-N 331.803 4.181 0 40 EIAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H]1CCOc2ccccc21 58326156 JUNMWAUTFSUQAH-LJQANCHMSA-N 349.434 4.134 0 40 EIAB C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1 58345328 VLOQQAOSZMHKHR-HNAYVOBHSA-N 342.870 4.182 0 40 EIAB CSc1nnc(COc2c(C(C)=O)ccc(Cl)c2Cl)s1 67783711 KSKYPWXPRVYTSJ-UHFFFAOYSA-N 349.264 4.348 0 40 EIAB O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 71888327 WEWKFYZOBUMLEA-APWZRJJASA-N 326.440 4.181 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC 72214730 OVTMXNYCYGBANP-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC 72214814 XATRQVLAGUSUDS-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cc1 72285877 NEKVEZQTFNOVPO-GVDBMIGSSA-N 342.464 4.009 0 40 EIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)c1 72329148 CKUYXKCGHUTSGF-UHFFFAOYSA-N 349.434 4.102 0 40 EIAB Cc1nn(-c2ccccc2)cc1CNc1cccc(OC(F)F)c1 75827246 MEVJUCZJEQORIL-UHFFFAOYSA-N 329.350 4.394 0 40 EIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)s1 89656383 XYRNPNFLVXPCSS-IACUBPJLSA-N 345.468 4.078 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@H]1c1ccc(F)cc1F 89769584 PKBGSCAHWWXHBT-HYVNUMGLSA-N 349.421 4.066 0 40 EIAB O=C([C@@H](N[C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 89825758 AMMVVOCZZCQNTQ-SFTDATJTSA-N 334.463 4.017 0 40 EIAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)on1 91684400 HYDZMBOUWKCKQT-TZMCWYRMSA-N 338.329 4.068 0 40 EIAB C[C@@H](NCc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1 95420668 HKQJDDQAEJYEPF-OAHLLOKOSA-N 348.475 4.392 0 40 EIAB Cc1nccc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c1Cl 96004253 JCKCGQXYOMZPLA-UHFFFAOYSA-N 339.222 4.493 0 40 EIAB Cc1ccc(CCCCN2CCC([C@H](O)C(F)(F)F)CC2)cc1C 96013604 VRGXURSHABTVBV-SFHVURJKSA-N 343.433 4.261 0 40 EIAB CN(Cc1ccco1)[C@H]1CCC12CCN(Cc1ccc(F)cc1)CC2 96051563 CGBXQOQMSCQQNC-FQEVSTJZSA-N 342.458 4.295 0 40 EIAB COc1ccccc1-c1nc2nccc(-c3ccc(Cl)cc3)n2n1 96345048 ATYPQNADFSVEKN-UHFFFAOYSA-N 336.782 4.120 0 40 EIAB C[C@@H](C1CC1)N(C(=O)N[C@H](c1ccccc1)c1cccnc1)C1CC1 96444022 NPXWSDFLSQJOKD-MGPUTAFESA-N 335.451 4.144 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)n1 104743697 WGEIDCCMNAODRA-IYJAJMOOSA-N 325.456 4.044 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 222948539 XCNYEUKDTQUMHC-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1 223615034 AENSXVUQHUOPSR-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)c(C)c1 225611732 YRTNSCBXDYAXBU-LJQANCHMSA-N 325.452 4.430 0 40 EIAB COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(F)(F)F 225783195 QYKMMRUPIXOIGT-UHFFFAOYSA-N 336.524 4.023 0 40 EIAB COc1ccc(C(=O)CCc2ccc(Br)cc2)cc1OC 228932271 PZYIWMSIDIGFMR-UHFFFAOYSA-N 349.224 4.282 0 40 EIAB CC(C)Cc1ccc(C(=O)[C@H](Br)CBr)cc1 382677489 YRDFIIROMSNVSW-GFCCVEGCSA-N 348.078 4.226 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCCc1ccc(-c2ccoc2)s1 390831843 VJWGTSDMJWOUES-AWEZNQCLSA-N 341.432 4.134 0 40 EIAB CCOc1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1 408556405 KJBUKMAAPKLQGD-UHFFFAOYSA-N 331.371 4.035 0 40 EIAB Cc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc1Cl 1668522013 BADCECVASKHOBM-ZJUUUORDSA-N 335.181 4.421 0 40 EIAB O=C(NCC1(c2ccsc2)CC1)c1ccccc1C(F)(F)F 1888918261 TWXBGOKKKQHRQA-UHFFFAOYSA-N 325.355 4.229 0 40 EIAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)n1 52709 YMRXWUXMCFMJQL-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1 75750 ZGKGUABEGIJTHY-UHFFFAOYSA-N 332.403 4.002 0 40 EIAB CCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 307615 BDNVKVMQYRGMQU-UHFFFAOYSA-N 335.451 4.430 0 40 EIAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc3ccccc23)N1 408721 VZLUBLQTLIFDKP-PMACEKPBSA-N 342.398 4.009 0 40 EIAB biogenic COc1cc(C(=O)Oc2ccc3ccccc3c2)cc(OC)c1OC 572020 HQZPVRRVWBLRJK-UHFFFAOYSA-N 338.359 4.085 0 40 EIAB Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 1397432 ADLIIAMIBPJQPP-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB CC(C)(C)c1ccc(CC[C@@H](O)COc2ccc(C(=O)O)cc2)cc1 1997397 LNXBEIZREVRNTF-GOSISDBHSA-N 342.435 4.055 0 40 EIAB investigational CCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OC)c1 2069738 YZXZEMYZODXIPY-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1Cl 2689131 CNPWLUOEUVDXHF-KDOFPFPSSA-N 344.798 4.118 0 40 EIAB Cc1cc(OCc2ccc(C(=O)Nc3ccncc3)o2)ccc1Cl 2767535 PACKSVAGPITNME-UHFFFAOYSA-N 342.782 4.468 0 40 EIAB C[C@@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccc(F)cc1 3437204 KRHYEONMJYRKEK-SNVBAGLBSA-N 342.197 4.389 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc(SC)c2)cc1OC 3548775 NNTPOVLWPLLQIV-CSKARUKUSA-N 329.421 4.078 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 3565551 OFXIXNZZMYVGIO-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB Oc1c(Br)cc2c(c1Br)Cc1ccccc1-2 4934404 DXSBSVXXRRNDFG-UHFFFAOYSA-N 340.014 4.488 0 40 EIAB Cc1cccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c1 5441378 OAZCIHYMQRFATL-UHFFFAOYSA-N 336.435 4.002 0 40 EIAB C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)Sc2nc3ccccc3o2)[C@@H]1C 5628903 BCRLLYGESUBULV-REWJHTLYSA-N 332.469 4.249 0 40 EIAB O=C(CCCSc1ccccc1)Nc1nnc(-c2ccccc2)o1 6509889 ZVVAMOUASFZKIA-UHFFFAOYSA-N 339.420 4.248 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc(Cl)sc2Cl)c1 8329137 IJSOSGLHUCHSCJ-UHFFFAOYSA-N 332.208 4.324 0 40 EIAB COCCN(Cc1cccs1)C(=O)Nc1ccc(C)c(Cl)c1 8772448 XBCLBGXFQZJMMX-UHFFFAOYSA-N 338.860 4.390 0 40 EIAB CCOc1cc(/C=C/C(=O)NCc2ccco2)ccc1OCC(C)C 9054503 KTQSGDZICWPTCJ-CSKARUKUSA-N 343.423 4.043 0 40 EIAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)c1 9314540 DWIYLYTZSXIQTC-WEVVVXLNSA-N 347.798 4.018 0 40 EIAB CC(C)CNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O 9531811 CKYMNMPIWFKGSD-INIZCTEOSA-N 331.843 4.340 0 40 EIAB CCOC(=O)c1oc2cc(NC(=O)c3cccs3)ccc2c1C 9659890 CHYHTFZUNMXWRC-UHFFFAOYSA-N 329.377 4.232 0 40 EIAB biogenic COc1cccc(-c2nc(N3CCCC[C@@H]3C)c3ccccc3n2)c1O 13127691 WNPXRNJEBMRJGV-AWEZNQCLSA-N 349.434 4.390 0 40 EIAB Cc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1C 14002050 WWCRPKJVUHCMJM-UHFFFAOYSA-N 332.856 4.013 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 14266342 JVZWTKJMOCHDQI-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB COc1cccc(N=c2c(C(=O)O)c[nH]c3c(C)c(Cl)ccc23)c1 19793884 SLGHVSUHCOQKEA-UHFFFAOYSA-N 342.782 4.069 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 20047038 JAZDOSHAMYQJPQ-AWEZNQCLSA-N 335.403 4.348 0 40 EIAB Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C 21130457 QNFXFZMDCKZIFA-UHFFFAOYSA-N 330.327 4.090 0 40 EIAB Cc1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)s1 24013793 MPSJNRWSBAXURX-VIFPVBQESA-N 336.511 4.243 0 40 EIAB CC(C)c1noc([C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 24667957 XOMCAFQNIFMDKF-UONOGXRCSA-N 340.427 4.275 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCSC1CCCC1 25245582 PXNIIMDRDZCUGU-UHFFFAOYSA-N 329.465 4.254 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccn1 26184220 VUBBMOLOCAQSIO-XHDPSFHLSA-N 347.871 4.332 0 40 EIAB Cc1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)sc1C 32885748 HBHPZNFCSSRNNM-UHFFFAOYSA-N 349.525 4.450 0 40 EIAB Cc1nnc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)s1 33027656 UADRCUCAVARYOB-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB COc1ccc2c(C)cc(SCC(=O)N3CCCCCC3)nc2c1 35655298 VNRFZDUZBCBAOM-UHFFFAOYSA-N 344.480 4.047 0 40 EIAB Nc1nc2c(s1)[C@@H](c1cccc(OC3CCCC3)c1)CC(O)=N2 36352914 VSLCEGDXQAKEIF-CYBMUJFWSA-N 329.425 4.170 0 40 EIAB Cc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C 39755414 YFUFPYOCAWIVBK-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB COCc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 44549816 XJCBAGMXJMXQOE-UHFFFAOYSA-N 344.461 4.199 0 40 EIAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccs1)SCC(O)=N2 44900704 OKVGSUAHGUTBJK-OAHLLOKOSA-N 342.449 4.061 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1OCc1ccccc1 49549774 WJGYVOLMUGEJFO-INIZCTEOSA-N 333.391 4.123 0 40 EIAB CC(C)c1noc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 58313016 NOTKXMXBXNPOLF-UHFFFAOYSA-N 325.343 4.251 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2oc(=O)ccc2c1 67719325 MYFMPNHOAZKRMQ-NSHDSACASA-N 340.404 4.006 0 40 EIAB Cc1c([C@H](C)NC(=O)c2ccc[nH]c2=S)oc2ccc(F)cc12 69491063 PBFHPXXKLABBCP-JTQLQIEISA-N 330.384 4.429 0 40 EIAB CC[C@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1nc(C)cs1 71856670 QWGLOHPAEDVGCE-GJZGRUSLSA-N 345.468 4.116 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 71884584 PWIAJYBPEDUJFE-HOTGVXAUSA-N 331.847 4.476 0 40 EIAB CN(C)C[C@@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 71911751 QJQUFSAEZXFHAJ-HNNXBMFYSA-N 347.528 4.137 0 40 EIAB C[C@@H](c1ccccc1F)[S@](=O)Cc1cccc(OC(F)F)c1 84660675 JICYOZWXWSJBRG-SAHAZLINSA-N 328.355 4.437 0 40 EIAB CC(C)c1nc(-c2cc(C(=O)NCC3CC3)c3ccccn23)cs1 96154843 CRIJCEBNPHLTTD-UHFFFAOYSA-N 339.464 4.326 0 40 EIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 96658920 VFQFEVPEGBBMKL-UHFFFAOYSA-N 344.263 4.204 0 40 EIAB Clc1ccc([C@H]2C=C(c3ccco3)Nc3ncnn32)c(Cl)c1 100835124 BPVDODLDYWEWQW-CYBMUJFWSA-N 333.178 4.234 0 40 EIAB O=C(COc1cccc(Cl)c1)NCCCc1ccccc1Cl 222767711 SASYSWMFAMAKGE-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 224055171 NNORNQNJRKHBAQ-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1 224580797 SJEUZQLWZWBVSI-UHFFFAOYSA-N 333.453 4.034 0 40 EIAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(C)cc1 225172586 DJPCDAAUXJTBDA-KRWDZBQOSA-N 347.480 4.050 0 40 EIAB Cc1ccccc1CNC(=S)Nc1ccc(Br)cc1 225308566 KAPVAIVEWKAJDO-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCCCCC1 225437816 BIIGBOSFTFHPBH-LBPRGKRZSA-N 348.830 4.065 0 40 EIAB biogenic,in-vitro CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)c(C)c1 225608993 MWWBJKXXKVYXFT-SFHVURJKSA-N 335.444 4.181 0 40 EIAB CCCOC(C)(C)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225837305 FGKHLAZXSWDRMX-UHFFFAOYSA-N 333.350 4.248 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)CC2)no1 257300745 RVNPSUDNKZYWAC-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccccc2)nn1 408526874 BXTSDQCHVGZMAA-UHFFFAOYSA-N 340.766 4.025 0 40 EIAB CC[C@@H](C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 408714334 OOJMCVMKCZPYTQ-GOSISDBHSA-N 349.434 4.197 0 40 EIAB CCC[C@]1(CO)CCN(C(=O)c2sc3ccc(C)cc3c2C)C1 585085222 XYSZXMZOTVPODI-IBGZPJMESA-N 331.481 4.143 0 40 EIAB CCOc1cncc(CN[C@H]2CCCOc3c(Cl)cccc32)c1 621343327 CIWOHLHNTMXMBF-KRWDZBQOSA-N 332.831 4.137 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1ccc(Br)cc1 42157 NHJAYYQDPKSQFN-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB COc1ccc([C@H]2C=COc3n[nH]c(-c4ccccc4)c32)cc1OC 103861 AJUTUTAZOIBERA-OAHLLOKOSA-N 334.375 4.132 0 40 EIAB COc1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 245319 MYOLMMFNOOVYLX-UHFFFAOYSA-N 345.354 4.288 0 40 EIAB CCn1c(COc2ccccc2)nnc1SCc1ccccc1 419260 DXZNWXUFCWKLKY-UHFFFAOYSA-N 325.437 4.169 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1cc(Cl)ccc1O2 424797 YZSPARURQDATIM-RHSMWYFYSA-N 330.840 4.275 0 40 EIAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccnc1 539914 NIQVHLFWMULEPC-NRFANRHFSA-N 326.403 4.485 0 40 EIAB Cc1cccc(-c2nnc3sc(Cc4ccccc4Cl)nn23)c1 1018255 KTUQWMNUHJDCBQ-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB O[C@](c1ccccc1)(c1ccco1)[C@@](O)(c1ccccc1)c1ccco1 1661380 DZHGFHSQDFHGNX-FGZHOGPDSA-N 346.382 4.045 0 40 EIAB COc1ccc2c(=O)cc(-c3ccc4ccccc4n3)oc2c1OC 1687458 OIAHIWVJDSFLPY-UHFFFAOYSA-N 333.343 4.025 0 40 EIAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(C)=O)CCC3 3219993 KVXYIOFQFBJKHU-UHFFFAOYSA-N 342.435 4.372 0 40 EIAB COc1cccc(NC(=S)Nc2ccccc2N2CCCCC2)c1 3378721 FSKBCEGXYILHGF-UHFFFAOYSA-N 341.480 4.494 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4081422 UITNBJRZYAEYLY-AEFRDVJXSA-N 344.495 4.386 0 40 EIAB biogenic CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1 4134753 LFSFZGXABLTIEJ-UHFFFAOYSA-N 347.446 4.473 0 40 EIAB COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4412073 HYZKAKLQEGSNFA-GJZGRUSLSA-N 336.218 4.221 0 40 EIAB Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)s1 4555330 OUCDBOWNMSMXBO-OAHLLOKOSA-N 347.509 4.313 0 40 EIAB Fc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 4664961 LEFSKMHXSAJYCS-UHFFFAOYSA-N 336.351 4.405 0 40 EIAB COc1cc(C)c(NC(=O)Cc2cccc3ccccc23)cc1OC 5616710 NEEFDVFNZKHNTR-UHFFFAOYSA-N 335.403 4.347 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 6811253 BTQUQBQMQMGUML-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1C 7725719 IVRGMRRQMIBYIR-UHFFFAOYSA-N 338.407 4.130 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)cc1F 7830465 RAFARIDUSJWUPF-FVOPLDGLSA-N 331.412 4.055 0 40 EIAB c1ccc2oc(C3CCN(c4ncnc5sccc45)CC3)nc2c1 8392523 CEGBKVJDTYFZIX-UHFFFAOYSA-N 336.420 4.217 0 40 EIAB C[C@H](c1ccccc1)N(C)S(=O)(=O)/C=C/c1ccc(Cl)cc1 8520689 PKYUDZQFMSAYAC-XTZCOPOCSA-N 335.856 4.334 0 40 EIAB CCN(Cc1ccccc1)Cc1c(C)nc2ccc(C(C)=O)cc2c1O 8571847 SNUJXLVNQXEEPN-UHFFFAOYSA-N 348.446 4.474 0 40 EIAB CC(C)Oc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 9695000 LZLGJTOWSFADDG-UHFFFAOYSA-N 339.844 4.069 0 40 EIAB CCc1cccc(OCC(=O)NCc2ccc3cc(OC)ccc3c2)c1 11122426 VALIIZKXRYBYJD-UHFFFAOYSA-N 349.430 4.106 0 40 EIAB COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 12178443 FJONGJDMIWXOJV-UHFFFAOYSA-N 340.404 4.029 0 40 EIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 12568812 AWBUEELUDWQQKY-UHFFFAOYSA-N 349.409 4.004 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1Cl 14125220 DBQCPIHRTPVFPN-CZUORRHYSA-N 334.847 4.475 0 40 EIAB CCc1ccc(CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 17573810 FOMSSFWVRVCKET-UHFFFAOYSA-N 336.439 4.146 0 40 EIAB c1ccc(CN2CCCN(Cc3ccccc3)C2c2ccncc2)cc1 19320333 WRTZUCFDSMDEGF-UHFFFAOYSA-N 343.474 4.488 0 40 EIAB COc1ccccc1CN(C)C(=O)c1cc2ccccc2cc1OC 20048529 IOLYBHTYSSPWGP-UHFFFAOYSA-N 335.403 4.129 0 40 EIAB CCCSc1nsc(NC(=O)CSc2ccc(C)cc2)n1 24774141 CEFBHDLIQFVDFH-UHFFFAOYSA-N 339.511 4.079 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)C1(C)C 25532791 UHNJKAOUMDDNMZ-LPHOPBHVSA-N 340.442 4.430 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)s1)O[C@@H](C)C2 26886636 IQTVQVAVDUHMNJ-NSHDSACASA-N 331.437 4.339 0 40 EIAB Cc1nc2ccccc2nc1SCC(=O)c1ccc2c(c1)CCC2 29282927 RHXQVFPYOPFPEU-UHFFFAOYSA-N 334.444 4.402 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12 31903878 BQQZSVQIXFFRAP-UHFFFAOYSA-N 347.480 4.193 0 40 EIAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(-n2cccc2)ccc1Cl 32092834 NFXSKTFPTFBFTD-ILXRZTDVSA-N 326.827 4.073 0 40 EIAB COc1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1F 32719723 JIIYTHSEQIPHMJ-UHFFFAOYSA-N 331.431 4.009 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1 35481154 WBURGLVLTUNDCM-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1ccc2c(ccn2CCC(=O)Nc2nnc(CC(C)C)s2)c1 40266733 NNMOOTLHLCNJAY-UHFFFAOYSA-N 342.468 4.029 0 40 EIAB Cc1cccc2c1N(C(=O)c1cc(C3CC3)n(C(C)(C)C)n1)CCC2 42713697 KLJYQGVYIOLCMS-UHFFFAOYSA-N 337.467 4.417 0 40 EIAB Cc1ccc(OCCN(C)C(=O)Nc2cccc3cnccc23)cc1 43162083 HTHPEBYOIYLAPX-UHFFFAOYSA-N 335.407 4.086 0 40 EIAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(Br)cc1 45888841 VPFOVEQRJXJKAP-UHFFFAOYSA-N 333.229 4.154 0 40 EIAB O=C1CCCN1Cc1ccc(CNc2nccc3sccc23)cc1 48331427 RQBWGGREMRGWAC-UHFFFAOYSA-N 337.448 4.031 0 40 EIAB Cc1ccc2c(Nc3ccc(F)c(C)c3)c(-c3nc(C)no3)cnc2n1 49420747 ZLVOMLHKASKAHX-UHFFFAOYSA-N 349.369 4.488 0 40 EIAB O=C(O)/C(=C/c1c[nH]c2ccccc12)Sc1nc2ccccc2[nH]1 50547794 CPVWTGZKNRSMGS-SXGWCWSVSA-N 335.388 4.262 0 40 EIAB COc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCCC2)cc1 57388447 MXHVDWVNUDRCLT-SFHVURJKSA-N 344.842 4.124 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1OCC 57573540 BSNPXIXVUSHACD-CQSZACIVSA-N 334.460 4.177 0 40 EIAB CC1CCN(Cc2cccc(CNC(=O)Nc3ccccc3)c2)CC1 58245108 NEUUSMPODCEJJB-UHFFFAOYSA-N 337.467 4.240 0 40 EIAB COc1ccc2oc(C(=O)Nc3c(C)nn(C(F)F)c3C)c(C)c2c1 69700368 ICILQONRYFUCGP-UHFFFAOYSA-N 349.337 4.211 0 40 EIAB CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1ccccn1 69701929 YCWJVORAQJIXFU-UHFFFAOYSA-N 331.419 4.090 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 71761728 ZHMKCZIOTCEEEH-UHFFFAOYSA-N 338.791 4.075 0 40 EIAB Fc1cccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)c1 71889973 WBOTXKDAIOGDCG-UHFFFAOYSA-N 344.430 4.428 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 72215050 IXJABAUYGIJJIQ-INIZCTEOSA-N 333.476 4.438 0 40 EIAB O=C(N1CCC(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1 75157057 NECGTYPRMDXZPK-UHFFFAOYSA-N 329.440 4.325 0 40 EIAB CC(C)c1nc([C@H]2CCCN2C(=O)CC/C=C/c2ccccc2)no1 76044472 FBMVEZFFGAGQAM-SCBHQAGPSA-N 339.439 4.350 0 40 EIAB O=C(c1ccccc1SCc1cscn1)N1C[C@H]2CCC[C@@H]2C1 89809604 JUFDMSBPTQOYDJ-ZIAGYGMSSA-N 344.505 4.308 0 40 EIAB CCOc1cc(CNc2ccccc2N(C)C)c2c(c1)C[C@H](C)O2 89991022 VLMRDLLOQMJDBW-AWEZNQCLSA-N 326.440 4.087 0 40 EIAB Cc1nnc([C@H]2Cc3ccccc3CN2C/C=C/c2ccc(F)cc2)o1 92355857 NZAAHWBYAOWZOL-DPZZJQGRSA-N 349.409 4.330 0 40 EIAB CC(C)(C)NC[C@H](O)c1ccc(OCc2ccccc2)cc1Cl 95080056 QLPAWSIKHUCMIC-SFHVURJKSA-N 333.859 4.341 0 40 EIAB CCSc1cccc(NC(=O)N[C@H](C)Cc2c(C)noc2C)c1 95399556 RKAREWBEUQJUQX-LLVKDONJSA-N 333.457 4.156 0 40 EIAB C[C@@H](C(=O)N(C)Cc1nc2ccccc2o1)c1ccc(Cl)s1 95429518 IJGSNSYCENTGCK-SNVBAGLBSA-N 334.828 4.305 0 40 EIAB Cc1ncc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(Cl)c1Cl 95449342 UWQLSLPJYQXKGA-VIFPVBQESA-N 349.221 4.064 0 40 EIAB COc1cc(CN2CCC=C(F)C2)c(-c2ccccc2)cc1OC 96003656 XVCBLRVVLFOIBI-UHFFFAOYSA-N 327.399 4.430 0 40 EIAB CC(C)c1ccccc1-n1c(S)nc2cc(Cl)ccc2c1=O 100445005 ZETZOCNIIQSROF-UHFFFAOYSA-N 330.840 4.451 0 40 EIAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118914889 XNJOZXWLEFEFEX-SXWOMNNJSA-N 334.500 4.133 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCCOc2ccc3ccccc3c2)c1 223609484 CNIFESDFKQEYNX-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB Cc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1F 224914403 YUBQGOBEKNMMRY-UHFFFAOYSA-N 337.847 4.337 0 40 EIAB CC(C)Oc1ccc(NC(=S)NCCSC(C)(C)C)cc1 225352097 RYMIEHLUVMKNAS-UHFFFAOYSA-N 326.531 4.292 0 40 EIAB Cc1noc(-c2ccsc2NC(=O)CCSc2ccccc2)n1 225659559 YSGJEROIVIVFOP-UHFFFAOYSA-N 345.449 4.227 0 40 EIAB CCO[C@](C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 225722595 UUPYACJDTHLPSE-NRFANRHFSA-N 339.435 4.409 0 40 EIAB Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCCN2C(C)C)n1 257284907 PEUNWSFEHWPGBM-SFHVURJKSA-N 327.476 4.165 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)S1 260763014 HZLLCEALRSHAFC-XOKHGSTOSA-N 340.496 4.227 0 40 EIAB Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)no1 331572742 QZJZVJXKVBHWHN-UONOGXRCSA-N 338.329 4.068 0 40 EIAB CC(C)Cc1ccc(C(=O)[C@@H](Br)CBr)cc1 382677491 YRDFIIROMSNVSW-LBPRGKRZSA-N 348.078 4.226 0 40 EIAB Cc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1C 408706233 YEKUTEYLFJOCJV-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB CC[C@H](NC(=O)N1CCC[C@H](OC2CCC2)C1)c1csc(C)c1 1616031367 QFXHUHSCWVYTJF-IRXDYDNUSA-N 336.501 4.251 0 40 EIAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3OC)c2c1 81036 LIIFMWYUUONDLP-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@@]1(C)C(=O)O2 351933 NTOYAIOKEQADKS-JKSUJKDBSA-N 342.222 4.054 0 40 EIAB CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 367078 CJLRWBWOERDTNR-UHFFFAOYSA-N 337.419 4.314 0 40 EIAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 411639 QKMHUNVGIDOFGG-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB COc1ccc(-c2nc3cccc(C)n3c2NC(C)(C)C)cc1O 411924 LGSPLTGIWSZNQU-UHFFFAOYSA-N 325.412 4.234 0 40 EIAB CN(C)c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 422221 GOKQBNLYKXNEOR-UHFFFAOYSA-N 344.212 4.232 0 40 EIAB CN(Cc1ccccc1)C(=O)C1CCN(C/C=C/c2ccccc2)CC1 785796 LWWGZUGDKYQPNY-MDWZMJQESA-N 348.490 4.070 0 40 EIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccccc1 1377823 DZORMPAXYITINQ-QZTJIDSGSA-N 340.492 4.064 0 40 EIAB CCCCSc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)o1 2450518 LLKZSSZVXRJKIZ-LLVKDONJSA-N 327.450 4.034 0 40 EIAB Cc1cccc(C)c1OC(=O)CCCNC(=O)c1ccc(Cl)cc1 3375500 RTGJULSDHBKXJU-UHFFFAOYSA-N 345.826 4.072 0 40 EIAB O=C1CCC[C@@H]1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3561084 XZCFGYQYIMMMOB-KRWDZBQOSA-N 347.443 4.419 0 40 EIAB C[C@@H](COC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1)CN1CCCC1 4410996 LOROOXLFVZBGQW-GIVPXCGWSA-N 341.495 4.402 0 40 EIAB O=C(CSc1ccc(F)cc1)Nc1nc2c(F)cccc2s1 4496792 PZIIDNVXKDHLNI-UHFFFAOYSA-N 336.388 4.305 0 40 EIAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 5110546 JEBPAYREOBUEGR-LBPRGKRZSA-N 327.405 4.274 0 40 EIAB O=C(COc1ccccc1F)Nc1ccc(N2CCCCCC2)cc1 5245170 ZOLBKVPCUXGXAF-UHFFFAOYSA-N 342.414 4.224 0 40 EIAB COC(=O)[C@@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1 5506497 RHPBNWCDJSOARE-SECBINFHSA-N 342.178 4.121 0 40 EIAB CSCC[C@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 6016728 QCFABUCGHMDLHD-INIZCTEOSA-N 331.485 4.054 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@@H](C)CCC[C@H]1C 6250082 UFQWQGQEWQONBQ-USTZCAOPSA-N 336.520 4.126 0 40 EIAB Cc1ccc(-c2csc3ncnc(S[C@@H]4CCOC4=O)c23)cc1 6589518 KLJSDTWGYHCYFM-CYBMUJFWSA-N 342.445 4.074 0 40 EIAB CCc1ccc2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 6811271 CVDZIMKWOYNIBP-UHFFFAOYSA-N 327.767 4.261 0 40 EIAB CCOc1ccc(NC(=S)Nc2ccc(F)c(F)c2F)cc1 6831904 LSLQIUVULPCMJJ-UHFFFAOYSA-N 326.343 4.312 0 40 EIAB O=C(O)CCc1ccc(-c2ccccc2)n1CCOc1ccccc1 6885698 KEXNYCBRYVOBKP-UHFFFAOYSA-N 335.403 4.251 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 7050677 GJUCCXVDYNRFJX-UHFFFAOYSA-N 329.343 4.069 0 40 EIAB COc1ccc2c(CC(=O)Nc3cccc4cnccc34)coc2c1 7655196 XAOYMCZXHYZQBE-UHFFFAOYSA-N 332.359 4.171 0 40 EIAB CCc1cccc2c(-c3csc(NC[C@H]4CCCO4)n3)c[nH]c12 8191941 JUZHBVIUFMKMQV-CYBMUJFWSA-N 327.453 4.445 0 40 EIAB O=C(Nc1ccc(N2CCCCCC2)cc1)C1=Cc2ccccc2OC1 8193439 DOEKGHWYDNBZHI-UHFFFAOYSA-N 348.446 4.482 0 40 EIAB CC(C)c1ccccc1OCC(=O)NCCSc1ccccc1 8361152 QAZNHFZANVKBBV-UHFFFAOYSA-N 329.465 4.097 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8498161 QKJDYLQLVRFYLY-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)c1ccc2c3c(cccc13)CC2 8768002 KIUKITHIPKMEDO-AWEZNQCLSA-N 331.415 4.438 0 40 EIAB CN(Cc1ccc(C(N)=O)cc1)C(c1ccccc1)c1ccccc1 9364544 XVIQCCSZTMYAPT-UHFFFAOYSA-N 330.431 4.007 0 40 EIAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C 9463778 IUZXPBLPMMPXGI-UHFFFAOYSA-N 348.446 4.416 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2nccnc2c1 9953011 UWACAJICDPPAPV-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C1 10134977 XBNSTAMIWBWVRE-FOIQADDNSA-N 349.430 4.013 0 40 EIAB CN(Cc1ccc(Cl)cc1Cl)C(=O)Nn1cnc2ccccc21 10402773 AWNJKQAPXJOHHV-UHFFFAOYSA-N 349.221 4.139 0 40 EIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccco1 10691913 UHLUYXHFHFYFAV-QGZVFWFLSA-N 330.387 4.323 0 40 EIAB CCc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)cc1 10709482 CINWKXIPSWZQTA-UHFFFAOYSA-N 343.477 4.081 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)NCc2cccnc2)c1C 12526848 SRATVQIMKAILIE-UHFFFAOYSA-N 331.419 4.372 0 40 EIAB CC[C@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12529434 LXCXATQYEXTQQA-AWEZNQCLSA-N 339.464 4.032 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1ccccc1 12816546 XVBNREGXVJXHDI-HNNXBMFYSA-N 339.819 4.005 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1 13097723 OTNKIKQMTXACQE-YCRREMRBSA-N 329.783 4.153 0 40 EIAB COc1ccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13689765 ITPJXBKXSCBEGH-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB Fc1ccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13723389 WLZKCPKZDONCTE-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB O=C1Cc2cc(-c3csc(NCc4ccc(F)cc4)n3)ccc2N1 14164725 CIWBONWEXABMSR-UHFFFAOYSA-N 339.395 4.056 0 40 EIAB CCCOc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 21149720 NSPPJQPSVNHHCV-GFCCVEGCSA-N 330.453 4.309 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(OC(C)C)c1 22518299 AXUAKUVUTYIXQS-HXUWFJFHSA-N 341.451 4.256 0 40 EIAB COc1ccc([C@@H]2CCCN2Cn2cnc3cc(C)c(C)cc32)cc1 24105938 JBDQMLOBLKXCKT-FQEVSTJZSA-N 335.451 4.456 0 40 EIAB O=S(=O)(c1c(Cl)cccc1Cl)N(C1CCCCC1)C1CC1 32916568 DEKKSWVHBYHAMN-UHFFFAOYSA-N 348.295 4.479 0 40 EIAB CSCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 32981921 XMQDOYXMPRWXBH-UHFFFAOYSA-N 334.422 4.355 0 40 EIAB COc1ccc(-c2csc3c2c(=O)nc2n3Cc3ccccc3-2)cc1 36611807 MECDCAIBWNZOPN-UHFFFAOYSA-N 346.411 4.162 0 40 EIAB O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)C[C@@H]1CCCO1 40156845 SZSUTNRGGSNDRS-NRFANRHFSA-N 346.430 4.056 0 40 EIAB C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)c1cccs1 43289978 OTUPIPIGEZXBIL-SECBINFHSA-N 343.246 4.006 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1cccs1)N(C)C 43357374 XZBUKWVAOKCDEW-CQSZACIVSA-N 337.876 4.134 0 40 EIAB CC(C)(C)[C@H](NCC(=O)N1CCc2ccccc2C1)c1cccs1 54417195 DSAITJXZUGWSEM-LJQANCHMSA-N 342.508 4.010 0 40 EIAB COc1ccc(Cl)cc1[C@@H](O)c1cccc(Br)c1 55201602 MRAHBGIGOJKXHC-AWEZNQCLSA-N 327.605 4.193 0 40 EIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1nccs1 58048354 KFMLUWKULYXQLE-UHFFFAOYSA-N 338.436 4.081 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2cccc3ccccc23)cc1 59581450 DUOKLSGTTUVEPJ-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(C)c3C)cc2)n1 61108614 MUFNMNVBSOVTRU-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB CC(C)N(C)CC(=O)Nc1nc(-c2cccc3ccccc23)cs1 63465443 OYVFFDHMCBFMBP-UHFFFAOYSA-N 339.464 4.242 0 40 EIAB O=C(Nc1cccnc1Oc1ccccc1)N1CCc2ccccc2C1 69517829 OYWHTZLTSOVIOW-UHFFFAOYSA-N 345.402 4.464 0 40 EIAB O=C(Nc1ccc(N2CCc3sccc3C2)cc1)NC1CCCC1 72055418 QMHYUVZPFDLPHG-UHFFFAOYSA-N 341.480 4.375 0 40 EIAB CSc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72216937 XBPACNNHBAAHIW-MRXNPFEDSA-N 328.437 4.277 0 40 EIAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccnc1SC1CCCC1 84525469 HOVQLHSATVNTIG-MSOLQXFVSA-N 338.476 4.402 0 40 EIAB Cc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1C 85651666 HEBAQIFZJPBNAZ-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB Cc1ccc(NC(=O)Cc2noc(CCCSC(C)(C)C)n2)cc1 89635045 JZZKCQHONMZPCH-UHFFFAOYSA-N 347.484 4.024 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccc2nc(C3CC3)oc2c1 89872944 QKATUEBVUPJNDG-UHFFFAOYSA-N 333.347 4.028 0 40 EIAB O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cccs2)CC1 93440753 OURBOMJGAQCQBD-UHFFFAOYSA-N 339.382 4.260 0 40 EIAB COc1cc(CN(C)C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1SC 95454499 YEDDUPJSSSWDJK-KBPBESRZSA-N 336.501 4.232 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)[C@H](C)C(=O)c2ccccc2)cc1C 104274036 UDNLHGOJSKFHNI-INIZCTEOSA-N 337.419 4.110 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 113969920 WYOAEWQMBJCCHN-IBGZPJMESA-N 341.451 4.176 0 40 EIAB CC(C)OC(=O)c1ccc(Nc2cccc(Br)c2)c(N)c1 165288721 ILYZYQUOEAYTLX-UHFFFAOYSA-N 349.228 4.340 0 40 EIAB COc1ccc(-c2ccc(C(=O)O)c(NC3CCCCC3)n2)cc1 217686845 HWNLNWHOSCZWSD-UHFFFAOYSA-N 326.396 4.200 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)COc1ccc(C)cc1 219595023 XVAGLGPGJJTOPD-YLJYHZDGSA-N 341.451 4.045 0 40 EIAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 223264724 WJIKJNXPFQRXNS-INIZCTEOSA-N 347.842 4.167 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(F)cc1)CC(C)(C)O2 223351146 WUQGTFRNRJCITA-SFHVURJKSA-N 341.426 4.485 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2c(C)cccc2C)cc1 225761786 IOPDDVVOUNDXRH-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB Cc1ccc(NC(=O)NCCc2cnc(-c3ccccc3)nc2)cc1C 244983850 ITOVYTWINNMFEN-UHFFFAOYSA-N 346.434 4.125 0 40 EIAB CC(C)(C)c1nc(-c2ccc3c(c2)OCCO3)c(-c2ccncc2)[nH]1 299826150 FMMASVYJXZCKKW-UHFFFAOYSA-N 335.407 4.207 0 40 EIAB Oc1nc(SCc2c(F)cccc2Cl)nc2sccc12 408597839 GCXKIIRESNQEHU-UHFFFAOYSA-N 326.805 4.482 0 40 EIAB C[C@H](N[C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 529539801 UVULMLKXJCFEHM-KSSFIOAISA-N 344.405 4.390 0 40 EIAB CC(C)(C)c1nccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)n1 1614696569 AQOSXTBWIUZCAY-QWRGUYRKSA-N 329.366 4.081 0 40 EIAB CC(C)(C)c1cn2nc(C(=O)Nc3ccc(Cl)cc3F)ccc2n1 1888910369 QPWSTCUOZNRYHV-UHFFFAOYSA-N 346.793 4.072 0 40 EIAB S=C1CO[C@H](c2ccc(Br)cc2)N1c1ccccc1 32108 NVQZAJRGCJUBGY-OAHLLOKOSA-N 334.238 4.312 0 40 EIAB CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2ccccc2)cc1 205691 BHAVOXLQOYWZIO-FZKQIMNGSA-N 341.432 4.030 0 40 EIAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1ccccc1 227397 USESCNIDMHWKPS-UHFFFAOYSA-N 345.464 4.305 0 40 EIAB CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 550204 MTMDCAQQYRTPCY-UHFFFAOYSA-N 342.489 4.356 0 40 EIAB COc1ccc(CN(CC[C@H](c2ccco2)C(C)C)C(C)=O)cc1 2093621 MQTLLSQUGQJODV-IBGZPJMESA-N 329.440 4.467 0 40 EIAB biogenic O=C(Cc1ccccc1)NN1c2ccccc2CCc2ccccc21 3107009 BZLDEDLFQLFKFH-UHFFFAOYSA-N 328.415 4.197 0 40 EIAB biogenic COc1ccccc1CCC(=O)Nc1nc2ccc(F)cc2s1 3430464 WHYWJTVRWVZNSU-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB O[C@H](COc1ccc(-c2ccccc2)cc1)Cn1cnc2ccccc21 4623982 FVNVSVXMBNUQRQ-IBGZPJMESA-N 344.414 4.143 0 40 EIAB Clc1cccc(-c2nnc3sc(/C=C/c4ccco4)nn23)c1 4664975 PRFAIZZTUUAWGJ-VOTSOKGWSA-N 328.784 4.270 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)s1 5054248 UVRYWZFXRRKIKS-GHMZBOCLSA-N 335.498 4.479 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccccc2)cc1Cc1ccccc1 5516164 FGEZLYMBRJCFMA-UHFFFAOYSA-N 337.444 4.387 0 40 EIAB COc1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc1 5673759 LGBMCGWAYZHXQL-UHFFFAOYSA-N 345.442 4.186 0 40 EIAB COc1ccc2c(c1)CCc1cc(C(=O)NCc3ccco3)sc1-2 6626302 SXDBJDTUUKCAHH-UHFFFAOYSA-N 339.416 4.045 0 40 EIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1 6810801 ULOCIKPSNXKEJF-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1Cl 6897454 YHNBKKKLENETOZ-UHFFFAOYSA-N 328.170 4.322 0 40 EIAB CSc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1 6911454 GRLHJNASYBQJCE-UHFFFAOYSA-N 346.883 4.024 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N(C)Cc1cccc(F)c1 7338865 XFZQDZKIDVTXMR-GFCCVEGCSA-N 344.411 4.106 0 40 EIAB CC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)s2)c1 7474238 BYUIWWDUKQWJAX-UHFFFAOYSA-N 339.869 4.476 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1 7639928 OEXORSVUIJFTNW-KPKJPENVSA-N 340.810 4.119 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NC12CC3CC(CC(C3)C1)C2 8049565 VDHPGZJZOSVLPN-SOZFHFLDSA-N 331.431 4.068 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc3ccccc3c1)C2 8367563 HHNIBZYDGXNSFO-UHFFFAOYSA-N 330.431 4.411 0 40 EIAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)C)ccc21 8959294 WGCHSKNCBKRYDS-UHFFFAOYSA-N 346.471 4.079 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCC(C)C)cccc2c1=O 9340634 OUDXNCOAMPGQGV-UHFFFAOYSA-N 335.403 4.154 0 40 EIAB COC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10324018 PEWDEXUDLFAFLQ-UHFFFAOYSA-N 339.435 4.342 0 40 EIAB COc1ccc(CCNC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1 11027707 AFRKDPWXKJGYLN-UHFFFAOYSA-N 348.446 4.028 0 40 EIAB Nc1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 12395379 DANXTXUZFOZZCN-UHFFFAOYSA-N 349.278 4.371 0 40 EIAB Cc1ccc(CNC(=O)Cc2c(C)nc3ccccc3c2C)cc1F 12486675 LXPNALJMJWYXSS-UHFFFAOYSA-N 336.410 4.158 0 40 EIAB Cc1cc(C)c(C)c(SCC(=O)Nc2ccnn2C(C)C)c1C 12762144 CZZIFHPRJABVPH-UHFFFAOYSA-N 331.485 4.428 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCc3ccccc32)cc1OC 12910552 QGARTGDVLKWJQF-MRXNPFEDSA-N 345.826 4.165 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)cc1 12992454 VULCVEUCZRHYHF-RCMYXZNBSA-N 327.449 4.306 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1 13846180 QXINESDBWLTSFM-BEVDRBHNSA-N 347.414 4.489 0 40 EIAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C1CCCCC1 16992214 QRYVVMTUZSIXPX-UHFFFAOYSA-N 346.471 4.497 0 40 EIAB COc1cc(C(=O)NCC(C)C)ccc1OCc1ccc(Cl)cc1 17127651 APHSZCVVPVEAJI-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB CCOc1cccc(CNc2cccc(OC[C@@H]3CCCO3)c2)c1 19738605 NYOLMSDLCJIJOJ-FQEVSTJZSA-N 327.424 4.255 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C)ccc1OC 20104455 PREZMTIURIHHCV-QGZVFWFLSA-N 327.424 4.417 0 40 EIAB CC(=O)Nc1nc(CN(C)Cc2ccc(C(C)(C)C)cc2)cs1 24820208 DQDAFZZMEBBKAI-UHFFFAOYSA-N 331.485 4.031 0 40 EIAB Cc1nc(C)c(C(=O)N(Cc2ccccc2)Cc2ccco2)s1 27545343 LJRIWYAIYHJXAB-UHFFFAOYSA-N 326.421 4.196 0 40 EIAB Cc1nc(CCNC(=O)c2oc3ccc(Cl)cc3c2C)cs1 27991647 YDLNGZOFYNKRNJ-UHFFFAOYSA-N 334.828 4.132 0 40 EIAB Cn1ccnc1[C@@H](NCc1ccc2ccccc2c1)c1ccccc1 30643381 QYKFJHXEZIHLAK-NRFANRHFSA-N 327.431 4.453 0 40 EIAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 36666565 FNYHZXQRYFHXEZ-GLNPCMGASA-N 339.435 4.157 0 40 EIAB CC(C)(C)OC(=O)c1cc(Br)c(C(F)(F)F)cc1N 39951730 MJLMQXYTPRNSGE-UHFFFAOYSA-N 340.139 4.005 0 40 EIAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)sc1C 40013448 PYLJSWNXTWSGPG-MRXNPFEDSA-N 339.464 4.473 0 40 EIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccco1 40067770 IOVCRSHKKUIWFV-SNVBAGLBSA-N 327.211 4.489 0 40 EIAB Cc1nc2ccc(NC(=O)[C@H](C)n3cnc4ccccc43)cc2s1 40072791 SVVTZENICCYOCB-NSHDSACASA-N 336.420 4.154 0 40 EIAB Cc1cc(Br)ccc1NC(=O)NCCc1cccs1 40103639 RDGFMUBBZOVPOD-UHFFFAOYSA-N 339.258 4.183 0 40 EIAB O=C(CSCc1ccccc1)Nc1nnc(-c2ccccc2)s1 56894590 YKCPQCKKJPXJOS-UHFFFAOYSA-N 341.461 4.077 0 40 EIAB Fc1ccc(NC(=S)NCCCOC2CCCC2)cc1Cl 57815725 KCAYPLFEFJLRTJ-UHFFFAOYSA-N 330.856 4.115 0 40 EIAB Cc1ccc(NC(=O)c2cn(CCN(C)C)c3ccccc23)c(C)c1 58152510 ACYLXFGNFXKICO-UHFFFAOYSA-N 335.451 4.072 0 40 EIAB Cc1cc([C@@H](C)C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c(C)o1 69456654 AOHRJUIZYCOUIE-CYBMUJFWSA-N 343.427 4.169 0 40 EIAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(OCc2ccccc2)CC1 69530583 IQHXCCFDICJIGV-HNNXBMFYSA-N 343.471 4.109 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(SC(F)F)cc1)c1nccs1 69654326 KBGXWSOLJOBYQU-MRVPVSSYSA-N 329.397 4.341 0 40 EIAB CCn1nc(C)c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C 69697560 SSSSCNGMPTZRNJ-JTQLQIEISA-N 339.361 4.030 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)O[C@H](c1ccccc1)c1ccccn1 71834004 DMOXHCMUNIDECE-HSZRJFAPSA-N 343.426 4.446 0 40 EIAB COc1ccc(-c2nc(CNc3ccc(F)c(Cl)c3)no2)cc1 72312435 XBNKYXBQNCETIL-UHFFFAOYSA-N 333.750 4.150 0 40 EIAB C[C@H]1C[C@@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 78503129 YFUCARQGLFTVRO-GWCFXTLKSA-N 325.309 4.222 0 40 EIAB Cc1csc(C2(NC(=O)c3ccc4ccccc4n3)CCCC2)n1 78673769 IFQGDZJJHZJGHD-UHFFFAOYSA-N 337.448 4.199 0 40 EIAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 79480439 QOAMAVIIXGJDKL-QGZVFWFLSA-N 338.436 4.436 0 40 EIAB COc1cccc(Cl)c1CNc1ccc2c(c1)NC(=O)CS2 89471446 PKQDNQSPGPHFEO-UHFFFAOYSA-N 334.828 4.005 0 40 EIAB CC(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)N(C)C 89791391 BQCOBHXAHVARQC-HNNXBMFYSA-N 325.378 4.252 0 40 EIAB CCc1ccc(-c2cc(-c3cncc(Br)c3)[nH]n2)cc1 95094771 GWKGXZGAKQIPNT-UHFFFAOYSA-N 328.213 4.464 0 40 EIAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)cc1 96287843 ZHROHXUSNRXPSJ-BMGDILEWSA-N 339.822 4.413 0 40 EIAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102324680 KNWNEBVCQGFQPM-TZQJONAQSA-N 327.346 4.140 0 40 EIAB C[C@@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H]1C[C@H]2CC[C@H]1C2 104735547 GVRYMCWOINWJNV-OHNQJVKOSA-N 345.442 4.453 0 40 EIAB CSc1ccsc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 107130449 RSJSKQYHFCVQON-GOEBONIOSA-N 347.505 4.368 0 40 EIAB COc1ccc(C(n2cccn2)([Si](C)(C)C)[Si](C)(C)C)cc1 196024760 BQXFZOJTXUCVCF-UHFFFAOYSA-N 332.596 4.390 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 219605200 JFGBFFMCQNSOPQ-GOSISDBHSA-N 331.843 4.246 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(SC(C)C)s1 222705102 DKNIIFWEWMSUSU-UHFFFAOYSA-N 325.484 4.013 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCCCc1ccc(F)cc1 222796697 ATHDAUUTERXOLI-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(OC)c(C)c1 223049309 YBVYZFADEUCKAM-KSSFIOAISA-N 345.414 4.178 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 223390908 ABLKBQDCYGVORG-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB Cc1ccc2oc(CCCC(=O)NC[C@H](C)c3ccccc3)nc2c1 224949782 BQUPCLSNCCRGDE-INIZCTEOSA-N 336.435 4.379 0 40 EIAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(SC)cc1 224974820 COJWNHSIVFGXBD-UHFFFAOYSA-N 341.885 4.277 0 40 EIAB COc1ccc(CCCNC(=S)Nc2ccccc2Cl)cc1 225555710 FSPSVBRBAHWQKI-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CC(C)Oc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1 257329253 XJCCPOXRLREWIK-POVPESKVSA-N 330.468 4.349 0 40 EIAB Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)c2cn(C)nc2C)cc1 266731611 BJBGXKNCVIYYGA-KXBFYZLASA-N 340.471 4.035 0 40 EIAB O=[N+]([O-])/C=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 409066593 WFKLEAPXEGKPFM-BQYQJAHWSA-N 345.717 4.462 0 40 EIAB Cc1nc(C)c(C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)s1 409412779 BYYHVTOLNXRNNT-WCXIOVBPSA-N 326.465 4.072 0 40 EIAB CCc1cc(Br)ccc1NC(=O)NCC[C@@H]1CC1(F)F 621445106 FBVYDDUYSSQSMJ-SNVBAGLBSA-N 347.203 4.178 0 40 EIAB O=C(CCc1ccccc1C(F)(F)F)NC1CCC(F)(F)CC1 632188066 KVDRCEAZCIRIEK-UHFFFAOYSA-N 335.316 4.332 0 40 EIAB CCOc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 537504 CPSAIGBMYAUOAQ-UHFFFAOYSA-N 342.468 4.083 0 40 EIAB CCCC(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 558395 PEKLNXPBCZVVQF-UHFFFAOYSA-N 348.280 4.216 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1 578761 CGRPPOKPXJMDMS-UHFFFAOYSA-N 345.354 4.207 0 40 EIAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1 802736 IHDPGXBFEUZCIQ-GFCCVEGCSA-N 339.778 4.316 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 3227971 BONNFOBMTFYBCD-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB Cc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)c(O)c1 3436849 ZTKKYVUSOHWYDG-UHFFFAOYSA-N 325.389 4.181 0 40 EIAB C[C@H]1CCCCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 3583636 NIANVIXCUXVZMJ-VIFPVBQESA-N 335.662 4.460 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 4667013 MMIRJOKAHDIIIE-OPYAIIAOSA-N 339.479 4.071 0 40 EIAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(C)c1 5454276 CFDMDTRVFVENRD-UHFFFAOYSA-N 349.463 4.442 0 40 EIAB O=C(CSc1nc2ncccc2[nH]1)c1ccc(Cl)c(Cl)c1 5461484 JVCJDEKMUWUOLD-UHFFFAOYSA-N 338.219 4.240 0 40 EIAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc2ccccc2[nH]1 5531182 XSWNFODCYZPTHA-UHFFFAOYSA-N 343.766 4.045 0 40 EIAB CSc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6324939 FXYCQZPDXVEOGX-RUCSPORFSA-N 334.510 4.498 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)c1 6552489 OWIGBOWNLMZDBC-FQEVSTJZSA-N 336.435 4.101 0 40 EIAB c1ccc(-c2nc3c4ccccc4nc(NC4CCCC4)n3n2)cc1 6805404 ZDDQYKKAFXIDFZ-UHFFFAOYSA-N 329.407 4.299 0 40 EIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 7056388 GSXCPFAZLCGQGB-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB CC(=O)c1cc(CCC(=O)Nc2cccc(C(F)(F)F)c2)oc1C 8113091 QATVRXUIBGBHAF-UHFFFAOYSA-N 339.313 4.381 0 40 EIAB CC1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 8312719 HGMXXNKEKYBTSA-SFHVURJKSA-N 336.479 4.013 0 40 EIAB COc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c(OC)c1 8707337 DOAOQEPHCZHHOH-UHFFFAOYSA-N 336.391 4.055 0 40 EIAB CC(=O)c1cccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)c1 8991608 CRLGUKWDRYBGAV-UHFFFAOYSA-N 339.391 4.198 0 40 EIAB CSCc1c(C(=O)Nc2nc(C(C)=O)cs2)oc2ccccc12 9455078 ZQFFBYDIZVIJFS-UHFFFAOYSA-N 346.433 4.207 0 40 EIAB O=C(Nc1nnc([C@H]2CCCO2)o1)c1sc2ccccc2c1Cl 10970670 MGEOIJKKCJQCJR-SECBINFHSA-N 349.799 4.042 0 40 EIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl 11614167 MNJOBPINKOEJJF-JTQLQIEISA-N 342.247 4.133 0 40 EIAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCc2sccc2C1 12214499 NWIJQBJVVJGOQK-UHFFFAOYSA-N 336.460 4.041 0 40 EIAB CCc1cccc(CC)c1NC(=O)CCc1ccc2c(c1)OCCO2 12924274 AEXYMAQJBORRCL-UHFFFAOYSA-N 339.435 4.154 0 40 EIAB CC(C)(C)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 12925056 KVJUZRBZPTVLNX-UHFFFAOYSA-N 344.480 4.194 0 40 EIAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)C1(c2ccccc2)CCCC1 13465424 TVSLBGTUONIWBK-QUCCMNQESA-N 341.495 4.306 0 40 EIAB biogenic Cc1ccc(-c2csc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)n2)cc1 14075321 BYNFQBLCVCLNCF-GJZGRUSLSA-N 343.496 4.035 0 40 EIAB Cc1cnc(C(=O)Nc2ccccc2SCc2ccsc2)cn1 14125392 ZMUXUBCGALPIQL-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2cc(C)cc(C)c2)ccc1OC 15076595 LCUSCPMKVZPEEF-VQHVLOKHSA-N 325.408 4.363 0 40 EIAB Cc1cc(Nc2ccc(Cl)cc2)n2nc(-c3ccco3)nc2n1 15780323 CEHYDPTWWFZECI-UHFFFAOYSA-N 325.759 4.090 0 40 EIAB Cc1ccc(NC(=O)/C(Cl)=C2\Sc3ccccc3NC2=O)cc1 16952793 XLHUIVXKWIFINW-CCEZHUSRSA-N 344.823 4.128 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(CN2CCCC2)cc1 17067409 ZGGYHMPJIXUAED-UHFFFAOYSA-N 328.843 4.117 0 40 EIAB CC(=O)N(C)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1 18009339 XJXLRNPVSQADMZ-UHFFFAOYSA-N 345.406 4.146 0 40 EIAB in-man COc1ccc(SCC(=O)NCCc2ccc(C(C)C)cc2)cc1 19366723 NRRDRKGHGYNVLR-UHFFFAOYSA-N 343.492 4.270 0 40 EIAB CC(C)[C@@H](NCc1ccccc1)[P@](=O)(O)CCc1ccccc1 20150119 JOJGDPRZXONZIQ-IBGZPJMESA-N 331.396 4.271 0 40 EIAB COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 20671937 RHFWTBFIFUGKPX-CQSZACIVSA-N 347.418 4.390 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)C12CC3CC(CC(C3)C1)C2 22066298 BTPANUAUHSEPCL-UHFFFAOYSA-N 339.464 4.360 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](C)Sc2ccccc21 22257154 OFLUNWFIDXFOKO-GFCCVEGCSA-N 330.453 4.142 0 40 EIAB FC(F)(F)c1cccc(N2CCN(c3nc4ccccc4o3)CC2)c1 22530531 HXZZIAGVFPLQQA-UHFFFAOYSA-N 347.340 4.173 0 40 EIAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccn1 22927569 DDUGZXKBSOBGBH-UHFFFAOYSA-N 348.471 4.221 0 40 EIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC=CCC1 22969125 MKXIKCZRWSKZIX-LBPRGKRZSA-N 343.345 4.025 0 40 EIAB O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCCc2ccccc21 32764936 QVIIFNOYXMDQEN-FCHUYYIVSA-N 348.490 4.060 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2cc(F)ccc2F)C1 36352621 CXNUOSYINZSJKF-AWEZNQCLSA-N 343.308 4.413 0 40 EIAB CSc1nc(C)c(CC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)s1 37171288 QZXPBCCTDKQXRR-CHWSQXEVSA-N 340.558 4.437 0 40 EIAB CCC[C@@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 40090349 IANUFAUTXFFNAQ-CQSZACIVSA-N 328.412 4.044 0 40 EIAB Cc1cnc(NC(=O)CCOc2cc(Cl)ccc2Cl)s1 40140521 PLXPSTBKMRXBRT-UHFFFAOYSA-N 331.224 4.166 0 40 EIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@H]4C(=O)O 49601525 HITLMPHPGUZLGI-JWXRWZCYSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro COc1ccc([C@@H]2C=C(c3ccc4ccccc4c3)NC(=S)N2)cc1 51329830 YMSAAHXCMQWYJH-IBGZPJMESA-N 346.455 4.408 0 40 EIAB CCN(CC)CCC[C@H](C)NC(=O)CSc1ccccc1Cl 57157007 OZMKTSNKGWSPIU-AWEZNQCLSA-N 342.936 4.059 0 40 EIAB CCCCc1ccc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1 57990950 UPVILCWQWAJHSR-FQEVSTJZSA-N 333.435 4.454 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 58195262 MMHVDLGECVANQP-NEPJUHHUSA-N 332.787 4.024 0 40 EIAB Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@@H](C)c1ccccn1 58366845 YYJNCFLWSICMGJ-AWEZNQCLSA-N 340.427 4.055 0 40 EIAB Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@H](C)c1ccccn1 58366847 YYJNCFLWSICMGJ-CQSZACIVSA-N 340.427 4.055 0 40 EIAB Cc1ccc(-c2ncc(C(=O)N(C)CCC(F)(F)F)s2)c(C)c1 61193255 XILGGVNFQJZVSA-UHFFFAOYSA-N 342.386 4.451 0 40 EIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)c(C)c1 63790285 UKKOQQHJCNAGJL-INIZCTEOSA-N 328.481 4.366 0 40 EIAB O=C(C[C@@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 65493958 FZDKQGGTURVRMO-ZBFHGGJFSA-N 345.393 4.035 0 40 EIAB CC(C)CCOC(=O)NCCCCCCNC(=O)OCCC(C)C 68766267 RMATWYNJTHQLKO-UHFFFAOYSA-N 344.496 4.091 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)o1 71902460 HLVZKENEYAESOF-NSHDSACASA-N 344.802 4.179 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)NCc1csc(-c2ccsc2)n1 72274491 UARKUBBMAPKRPY-SNVBAGLBSA-N 332.498 4.073 0 40 EIAB COc1cccc(-c2cnc(CNC(C)(C)c3nc(C)cs3)o2)c1 72662964 RTBRINWXZVBBDZ-UHFFFAOYSA-N 343.452 4.140 0 40 EIAB O=C(NCc1ncoc1-c1ccccc1)Nc1cccc2cccnc12 79100328 VXWBQISNSHLSPR-UHFFFAOYSA-N 344.374 4.212 0 40 EIAB COc1ccc(NC(C)=O)c(NCc2csc(C3CCCC3)n2)c1 86203088 XWNNKICCUAOKFR-UHFFFAOYSA-N 345.468 4.380 0 40 EIAB Cc1ccc(CN2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)s1 96050865 SMAGSQOPVFRBNK-SFHVURJKSA-N 346.521 4.055 0 40 EIAB O=C(Nc1ccccc1F)N1CCCCC[C@H]1C[C@H](O)c1ccco1 96467915 LDOZFBYHRJMLRZ-YOEHRIQHSA-N 346.402 4.319 0 40 EIAB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@]12C(=O)Nc1ccccc12 100220520 GTULREJDOUZDPM-WPSKPGTISA-N 349.817 4.235 0 40 EIAB Cc1nc2nc(SCc3ccccc3)nn2c(O)c1CCC(C)C 101781892 PPMTZXLSKDQYIJ-UHFFFAOYSA-N 342.468 4.019 0 40 EIAB CCn1c(-c2ccccc2)cs/c1=N/c1ccc(NC(C)=O)cc1 102941573 DVEPDEZIUMMEQU-XUTLUUPISA-N 337.448 4.427 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc(-c3cccs3)on1)C2 108058726 ACOHMRZSUOLVFY-GYOIFBIXSA-N 330.453 4.348 0 40 EIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 219273786 ALSOYHDMCILSHY-UHFFFAOYSA-N 329.399 4.407 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1F 223008768 BNUSRXZLSIAHPU-AWEZNQCLSA-N 347.455 4.052 0 40 EIAB COc1ccccc1/C=C/C(=O)NCCOc1cccc2ccccc12 223508246 REXUBQGIDLQRPC-BUHFOSPRSA-N 347.414 4.057 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1C 223648567 SHTJGDGZFWHRDZ-CYBMUJFWSA-N 335.806 4.293 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OC)CCCC2)c2cccnc12 225887893 VYZJADDATAZEDP-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2cc3ccccc3o2)c1 226254114 ICPMTHUCDVJZJG-UHFFFAOYSA-N 335.407 4.258 0 40 EIAB CC(C)(NCc1ncc(Br)s1)c1cccc(F)c1 390833123 CLAHQTUJKQAXOJ-UHFFFAOYSA-N 329.238 4.070 0 40 EIAB CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Cl)c1OC 408619582 JLSVYBZVBJJULP-UHFFFAOYSA-N 337.778 4.447 0 40 EIAB CC(C)CC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 592780922 WAMXQHYDTXJNMO-AWEZNQCLSA-N 334.218 4.079 0 40 EIAB CN(C)c1cccc(C(=O)NCc2ccc(-c3ccsc3)o2)c1 618255527 DOYVVPRKIOVDIP-UHFFFAOYSA-N 326.421 4.004 0 40 EIAB CCc1c(NC(=O)N2CC[C@@H]2C2CCCC2)cnn1-c1ccccc1 1548453709 JOVIULIDRZXNBA-LJQANCHMSA-N 338.455 4.231 0 40 EIAB COc1ccc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)cc1C 1561071029 ARDJQNAOQVFJQV-UHFFFAOYSA-N 334.437 4.203 0 40 EIAB CC[C@H](C)n1ncc(NC(=O)C(C)(C)c2cccc(O)c2)c1C1CC1 1598266050 FPDZQGHLULLVIP-ZDUSSCGKSA-N 341.455 4.353 0 40 EIAB Cc1oc(-c2ccccc2)nc1CCNC(=O)C[C@H]1CCC(F)(F)C1 1615542163 MFIPYXZSRTWDBL-CQSZACIVSA-N 348.393 4.134 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccccc2Br)cc1 363831 VWLSUUMPDMRPTE-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1 384952 DMWFHXDYHXSYLG-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 421608 CFIRJSLELXCDRH-UHFFFAOYSA-N 342.395 4.091 0 40 EIAB Cc1cccnc1Nc1nc(-c2cc3ccccc3oc2=O)cs1 784500 AYPRZNNFZLIVPZ-UHFFFAOYSA-N 335.388 4.364 0 40 EIAB Cc1ccc2c(NC(=O)C(C(F)(F)F)C(F)(F)F)cccc2n1 1872765 IBOOSTJAVXKZOJ-UHFFFAOYSA-N 336.235 4.223 0 40 EIAB Cc1cc(C)cc(C(=O)c2cccc(CN3CCSCC3)c2)c1 2515293 NNTYUYOBXZIRIL-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB Cc1ccc(CNC(=O)/C=C/c2ccc(Br)cc2)cc1 2737569 BAFMWYGOHPNVPW-DHZHZOJOSA-N 330.225 4.087 0 40 EIAB COc1ccc(-c2cc(C(F)(F)Cl)c3c(C)nn(C)c3n2)cc1 2741061 QMVBPWDYIMXHHR-UHFFFAOYSA-N 337.757 4.240 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCCCCC1 3443356 PIORCUXBGPFTTR-IBGZPJMESA-N 326.415 4.382 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 3532957 OLMJTDGSRPVXPR-UHFFFAOYSA-N 349.386 4.307 0 40 EIAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(F)c(F)c1 4904280 ZCJYWMUTODLWBU-UHFFFAOYSA-N 345.393 4.006 0 40 EIAB CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 5303173 LKJUEROKNPDBSM-UHFFFAOYSA-N 331.423 4.070 0 40 EIAB O=c1c(Oc2ccc(Br)cc2)coc2cc(O)ccc12 6557402 QJJSOHSKNGDMSV-UHFFFAOYSA-N 333.137 4.053 0 40 EIAB biogenic CCOc1ccccc1Nc1nnc(SCCSC)s1 6820486 SEYOAOMTLFNXGY-UHFFFAOYSA-N 327.500 4.136 0 40 EIAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(C)C1=O 6942503 KVDVCYFATRECFJ-WJDWOHSUSA-N 327.405 4.295 0 40 EIAB O=Cc1cccc(OCc2ccc(COc3cccc(C=O)c3)cc2)c1 7263307 HBYRZQGJAYFCNP-UHFFFAOYSA-N 346.382 4.470 0 40 EIAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)cc2)o1 7602155 BHPPGYSBZYZVEA-UHFFFAOYSA-N 332.404 4.036 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccccc2CC)ccc1OC 7724143 ILWXRTUWTMEJEM-ACCUITESSA-N 325.408 4.308 0 40 EIAB O=C(COc1ccc(F)cc1)N[C@@H](c1ccccc1)c1cccs1 7890129 KSEBEQCAWFPHLA-IBGZPJMESA-N 341.407 4.172 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)cc1 8480780 MUZYXFUTKWXIIG-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CCOc1ccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 9012715 PPFNPANBWYSGCR-GOSISDBHSA-N 336.460 4.373 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(OC)c1 9690706 RWBSHDNNWDAMIE-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429184 UFGBEFZGAYXFMD-HNNXBMFYSA-N 326.465 4.406 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1Cl 12565334 GFCMPDAEIFSTRB-LBPRGKRZSA-N 344.842 4.276 0 40 EIAB Cn1c(Cl)cnc1CN1CCc2sccc2[C@H]1c1cccs1 12903168 HGQNEJFXDWTXSF-INIZCTEOSA-N 349.912 4.344 0 40 EIAB OC(Cc1ccc2ccccc2n1)(C(F)(F)Cl)C(F)(F)Cl 12942223 OQFVYBMVGOSBNB-UHFFFAOYSA-N 342.119 4.172 0 40 EIAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13036276 LXJBSTJNXNZNNS-PZJWPPBQSA-N 343.386 4.030 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 14095664 KEOMQIXZUJUNRS-INIZCTEOSA-N 333.435 4.194 0 40 EIAB CC[C@@H](NC(=O)Cn1c(C)cc2ccccc21)c1ccc(OC)cc1 14701279 VULTVLLROCADHX-LJQANCHMSA-N 336.435 4.226 0 40 EIAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccccc1)c1ccccc1 15649376 IOTPEYPLMNTJTB-OAQYLSRUSA-N 345.398 4.060 0 40 EIAB Cc1cc(C)c(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)c(O)c1 15952779 AKZSHYOFXCHCPO-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2Cl)cc1 18151192 FKDOMQOGADKXLJ-UHFFFAOYSA-N 331.843 4.446 0 40 EIAB O=C(CCc1cccnc1)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373806 SPUDOSSIZHDRGP-MXNKGDRCSA-N 334.463 4.103 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610331 SVBRLVCWLDBVKO-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 21798562 GAYMKGHNJNFONN-SECBINFHSA-N 336.844 4.182 0 40 EIAB CCc1cc2c(Oc3ccc(-c4noc(C)n4)cc3)ncnc2s1 24059319 OKQRINKTHZKUTH-UHFFFAOYSA-N 338.392 4.404 0 40 EIAB Cc1nc(C)c(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)s1 25459488 DZFFHNCGFCPGNZ-ZETCQYMHSA-N 336.269 4.096 0 40 EIAB CCN(CC(=O)Nc1ccccc1Sc1ccccc1)C1CC1 29912090 UKYPKIYTVVGTSK-UHFFFAOYSA-N 326.465 4.261 0 40 EIAB C[C@H]1Oc2c(C(=O)NCCCOC3CCCCC3)cccc2[C@H]1C 32820885 MJWUQSXUZXMORT-LSDHHAIUSA-N 331.456 4.040 0 40 EIAB O=C(O)C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1cccs1 37088223 AFBWHWPFZJHGTQ-LLVKDONJSA-N 346.235 4.066 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2sccc2C)cc1OC 40042891 CLXLNWZOHDQEQT-CQSZACIVSA-N 331.437 4.051 0 40 EIAB O=C(Cn1ccc2ccccc21)Nc1ccccc1Br 40285683 KLXYLEXFDRCNSE-UHFFFAOYSA-N 329.197 4.043 0 40 EIAB CCCc1cc(SCC(=O)Nc2cccc(Cl)c2C)ncn1 44225086 GLCXIFLDTXDTMF-UHFFFAOYSA-N 335.860 4.122 0 40 EIAB COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCCC2)cc1 57388445 MXHVDWVNUDRCLT-GOSISDBHSA-N 344.842 4.124 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)o1 65533876 KRWGGACGYUIXMT-KSSFIOAISA-N 347.418 4.132 0 40 EIAB COc1ccccc1-c1c[nH]cc1C(=O)N(C)CCc1ccccc1 65626274 HGUPRKOKVZFXMK-UHFFFAOYSA-N 334.419 4.005 0 40 EIAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2c1C 67048574 MRBSHFZRNCSKQT-OAHLLOKOSA-N 339.464 4.261 0 40 EIAB Cc1c(NC(=O)NCc2ccccn2)cccc1OC1CCCC1 71857121 ORTUOTTZPUHDIN-UHFFFAOYSA-N 325.412 4.033 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@@H]1C(=O)O 72233739 VRVLZGWUBIRQEC-LSDHHAIUSA-N 325.449 4.057 0 40 EIAB CCNC(=O)Nc1cccc(NC(=O)N2CCC3(CCCCC3)C2)c1 76070124 WSMBTTDUHMCKLQ-UHFFFAOYSA-N 344.459 4.016 0 40 EIAB CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 78646896 JOHHTKYFFTVMDJ-JJQSQXROSA-N 347.474 4.013 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 79350410 IDWPBFMGJMQPSR-IBGZPJMESA-N 345.418 4.138 0 40 EIAB COc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1Cl 83221648 OQTSKIDDOAGWEP-UHFFFAOYSA-N 336.800 4.040 0 40 EIAB CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1c(C)nn(C)c1C 86425599 FRSIQIJMDMNPPH-XJKSGUPXSA-N 344.459 4.016 0 40 EIAB Cc1ncc([C@H](C)NCc2cc(Cl)c3c(c2)OCCCO3)s1 89510181 NFZZISLYGRGTSD-JTQLQIEISA-N 338.860 4.117 0 40 EIAB CN(C(=O)c1cc2ccccc2s1)[C@@H](CCO)c1ccccc1 95426761 OTIBNDRZLGDPHB-INIZCTEOSA-N 325.433 4.097 0 40 EIAB Cc1nc(C(=O)Nc2ccccn2)c(-c2ccc(Cl)cc2)s1 96231608 STTUUSMETRVKID-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CS(=O)(=O)c1ccccc1SCc1cc(F)cc2cccnc12 96410908 OYCBSJSGHLYGBP-UHFFFAOYSA-N 347.436 4.070 0 40 EIAB Cc1nc(C)c(CNc2ccc(Cc3nnc4ccccn34)cc2)s1 96482831 ONLBZXBROXFOAR-UHFFFAOYSA-N 349.463 4.006 0 40 EIAB CCc1cccc2c(C3CCN(C(=O)c4ncoc4C)CC3)c[nH]c12 102337095 LLFIYIUVVVQXPM-UHFFFAOYSA-N 337.423 4.047 0 40 EIAB O=C(Nc1ccccc1)c1ccc(COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102594352 YDWBLIKIUHTVNR-XKGZKEIXSA-N 347.414 4.194 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 148101717 SHEMGHZBYVYWAU-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CCOc1cc(C(=O)OC)ccc1OCc1ccc(F)cc1Cl 216822344 SWBBEWARRVZFIV-UHFFFAOYSA-N 338.762 4.243 0 40 EIAB CCCCOc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216958498 RGJZLIZLGVAZCT-UHFFFAOYSA-N 337.375 4.207 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)SCc2ccccc2)c1 224055011 CIBXVJCRIGWTKM-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1ccc(C)cc1C 224263845 SYIHUVURWAGVHW-UHFFFAOYSA-N 339.479 4.384 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1Cl 224781830 DBEAXTPIXYDQRK-UHFFFAOYSA-N 335.806 4.240 0 40 EIAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c1 225799116 GZKQWCIFUSLBED-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB COc1ccc(-c2ccc(OC(=O)c3ccccc3Cl)nn2)cc1 408530906 SAIFVIBLIHKLIV-UHFFFAOYSA-N 340.766 4.025 0 40 EIAB O=C(NCC[C@@H](CCO)c1cccs1)c1cc2ccccc2s1 575620001 HJLRPFGIEHIGGL-ZDUSSCGKSA-N 345.489 4.249 0 40 EIAB CCc1cc2c(Nc3cccc(C[S@@](C)=O)c3)nc(C)nc2s1 603300027 ZPBANLPSJBXZGY-HSZRJFAPSA-N 345.493 4.184 0 40 EIAB CO[C@@H]1CCC[C@H](C(=O)N2CC=C(c3cccc(C)c3C)CC2)C1 1134781329 SXKDLLYPIUVNBY-RBUKOAKNSA-N 327.468 4.124 0 40 EIAB O=C(O)c1cc(C2CC2)nc2c(Cl)ccc(Br)c12 1857793877 NRKDSXRVJSTNPO-UHFFFAOYSA-N 326.577 4.226 0 40 EIAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1 531682 XORDCRPUQVSDOW-OALUTQOASA-N 334.423 4.132 0 40 EIAB Cc1ccc2cc(C)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1 932902 PLXJYZJTUMYPBV-CQSZACIVSA-N 328.481 4.202 0 40 EIAB COc1cc2c(cc1[C@H](C)c1ccc(Br)cc1)OCO2 1584428 PVJDQUXSJBSMJX-SNVBAGLBSA-N 335.197 4.338 0 40 EIAB CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2227028 PAQUTLMMKQORTB-UHFFFAOYSA-N 345.830 4.474 0 40 EIAB CCOCCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 2411146 QPTCXGXZXNPIIJ-UHFFFAOYSA-N 346.434 4.382 0 40 EIAB CCOCCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 2429489 YIDDQGJJPZUYEW-UHFFFAOYSA-N 329.469 4.143 0 40 EIAB CCN(C(=O)COc1ccccc1)c1nc2c(C)cccc2s1 2656898 BAGHXVNJWAQFSQ-UHFFFAOYSA-N 326.421 4.037 0 40 EIAB CCCCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 2721316 QKWYLFPDKRMEGS-AWEZNQCLSA-N 339.414 4.467 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@H]2C 4025695 KPUIORAMYKZOGW-GSXURMFVSA-N 329.440 4.489 0 40 EIAB biogenic COc1ccc2[nH]cc(CCNC(=O)CCC3CCCCC3)c2c1 4777225 KUHIVXWDPVHRGU-UHFFFAOYSA-N 328.456 4.196 0 40 EIAB biogenic CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 4844116 PZHDWFPWEPUINQ-QRWLVFNGSA-N 336.435 4.316 0 40 EIAB O=C([C@@H](Sc1nc2ccccc2o1)c1ccccc1)N1CCCC1 5457710 YITZIYJDVOPITE-KRWDZBQOSA-N 338.432 4.284 0 40 EIAB O=c1[nH]c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2[nH]1 6767751 ZPOCNXYHYJFMCM-UHFFFAOYSA-N 339.782 4.382 0 40 EIAB aggregator CCOc1ccccc1NC(=O)c1cc(=O)c2cc(CC)ccc2o1 6811283 AUXRMTUDQMGLOA-UHFFFAOYSA-N 337.375 4.006 0 40 EIAB CCc1nnc(NC(=O)Cc2coc3ccc4ccccc4c23)s1 7347065 HHFGMPBLGMIOGF-UHFFFAOYSA-N 337.404 4.181 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1C 8041566 IAAAHZLGRHQEBO-MSOLQXFVSA-N 325.452 4.208 0 40 EIAB C[C@@]1(C2CCCCC2)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21 8767784 BQEDYDBFUPOBLE-IBGZPJMESA-N 326.465 4.494 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CC)cc2)cc1 9141684 BTCDUSBFUBOJOP-UHFFFAOYSA-N 325.408 4.458 0 40 EIAB COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc(Cl)c1OC 9516289 TXLNOZCNWDAHDY-IUODEOHRSA-N 337.847 4.152 0 40 EIAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 11612281 VPRPANWSSJGICN-OKZBNKHCSA-N 336.479 4.418 0 40 EIAB COc1ccccc1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188026 NTPJBORYKXQCQO-GOSISDBHSA-N 346.430 4.263 0 40 EIAB O=C(Nc1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1O 12421852 CIIRDNXNFOIPGT-UHFFFAOYSA-N 332.281 4.212 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 12538934 MRRLFRUHBSEITB-NXEZZACHSA-N 328.359 4.353 0 40 EIAB CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12655407 LGGHTNIMFTVTOB-HLLDMODTSA-N 345.527 4.061 0 40 EIAB biogenic O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(C(F)(F)F)c1 13012523 USROKFBVZGTHCS-UHFFFAOYSA-N 348.324 4.306 0 40 EIAB Cc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C 14790107 RQEKIGVQGCQWPZ-UHFFFAOYSA-N 337.341 4.017 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 15011228 ORFFHPUTGDBBFL-UHFFFAOYSA-N 325.742 4.414 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=S)Nc2ccccc2)c1 15590169 YPYIJFIFYFGMOM-KRWDZBQOSA-N 342.464 4.238 0 40 EIAB C[C@]12C/C(=C\O)C(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 15894334 ICMWWNHDUZJFDW-NDPXPEHJSA-N 332.484 4.401 0 40 EIAB in-vitro CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 17056546 OQXSGESHCKCEBL-UHFFFAOYSA-N 338.451 4.428 0 40 EIAB Clc1ccccc1CN(Cc1ccccc1)c1ncnc2[nH]cnc12 18283856 BVXQOOHENWQFFB-UHFFFAOYSA-N 349.825 4.213 0 40 EIAB O[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccncc2)cc2ncccc12 19345341 KCTFVQANDWDLOF-HXUWFJFHSA-N 349.340 4.052 0 40 EIAB COc1ccc(-c2cc3ncnc(-n4nc(C)cc4C)c3s2)cc1 19797082 DIRHOAPXQFCXMF-UHFFFAOYSA-N 336.420 4.169 0 40 EIAB Brc1cc(-c2ccccc2)c(CN2CCOCC2)s1 19801353 HRNXTOFJEWKTJW-UHFFFAOYSA-N 338.270 4.010 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(Br)cc1 20029738 KHVNTEUXIOYXST-SECBINFHSA-N 340.167 4.218 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccco1 20034742 OJZRMWITNQECBS-GOSISDBHSA-N 347.480 4.103 0 40 EIAB COc1ccc(NC(=O)c2cccc(C)c2)cc1-c1ccc(CO)o1 20137467 AYFFOZFINWAVKW-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CC(C)c1ccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)cc1 20720158 QJTHGPIKNVUNLX-UHFFFAOYSA-N 345.402 4.379 0 40 EIAB CCc1ccc([C@H](CNC(=O)[C@@H](CC)c2ccccc2)N(C)C)cc1 22684818 YQOMTSRWUYFXTA-SFTDATJTSA-N 338.495 4.162 0 40 EIAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 24807893 ALAQHBOVNLNLBQ-RYUDHWBXSA-N 343.298 4.481 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OCc2cscn2)c1 26981238 YKRJVHMJJDFKQH-DYVFJYSZSA-N 330.453 4.031 0 40 EIAB O=C(Nc1ccccc1OC(F)F)c1csc(-c2cccnc2)n1 29047863 PFJLWMBSVUBDHT-UHFFFAOYSA-N 347.346 4.059 0 40 EIAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 29617157 ZJJWNCVYJXOXFD-ZDUSSCGKSA-N 340.814 4.408 0 40 EIAB C[C@@H](C1CC1)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 29841857 XWMSKZKMOZMBNV-AWEZNQCLSA-N 344.405 4.204 0 40 EIAB COc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccccn12 35616007 UDWVCWDVSYOJIG-UHFFFAOYSA-N 331.375 4.459 0 40 EIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2c(C)cccc2C)cc1C 38487756 GZNVWAGIFPAEMD-UHFFFAOYSA-N 335.411 4.034 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)C1 38835926 LJCPTEKQIURVMT-SFHVURJKSA-N 348.490 4.117 0 40 EIAB Cc1onc(-c2ccccc2)c1-c1csc(C2CCNCC2)n1 40448174 JGNQGLVOXXPGDJ-UHFFFAOYSA-N 325.437 4.241 0 40 EIAB Cc1cc(CN(C)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)no1 46898634 RVOUWPUPCJFBCU-KRWDZBQOSA-N 347.434 4.441 0 40 EIAB COc1ccc(Oc2ccc(CNCc3ccc(F)cc3)cn2)cc1 47720011 ZROMURWGUBCKDJ-UHFFFAOYSA-N 338.382 4.311 0 40 EIAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1 50312325 UVMHCQUVKKUNIH-IUIKQTSFSA-N 334.341 4.081 0 40 EIAB CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1Cl 57412788 UTQSRLWMNXVZND-UHFFFAOYSA-N 329.762 4.146 0 40 EIAB Cc1cccc(OC(F)F)c1NC(=O)N(C)Cc1ccsc1 65565236 ZGUPJBDDVGBSOE-UHFFFAOYSA-N 326.368 4.322 0 40 EIAB CN(C(=O)c1cnn(C)c1C(F)F)c1ccccc1-c1ccccc1 66337725 VQDCNRXIKKUUBD-UHFFFAOYSA-N 341.361 4.301 0 40 EIAB C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N(C)C1=O 72305659 JDRSRHIXQMLOSZ-ZDUSSCGKSA-N 348.368 4.325 0 40 EIAB C[C@H](NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccc(F)cc1 72328868 YAGNBUXREXFJQG-NSHDSACASA-N 343.789 4.360 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1c(C)cccc1Cl)c1ccccc1 72333747 MIGUEDYAKZPLEY-OAHLLOKOSA-N 345.826 4.324 0 40 EIAB COCc1nc(CNc2cccc(C(=O)c3ccccc3)c2)cs1 86205038 LGMIXEPHTDNCIO-UHFFFAOYSA-N 338.432 4.133 0 40 EIAB FC(F)(F)c1ccc(-c2noc(-c3ccnc(Cl)c3)n2)cc1 89262843 IHUXZYSLELKNQP-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)c1ccc(C(F)(F)F)cc1 89948697 UFWSIRDZPDKLCM-QEORTHHSSA-N 342.405 4.003 0 40 EIAB COc1ccc(Br)c(C=O)c1OCc1cccc(C)c1 95095008 XSDLPZNEPZQRSS-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB Cc1ccncc1NC(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 96000148 AVQYXHQMWZNCES-HNNXBMFYSA-N 343.431 4.046 0 40 EIAB CCOC(=O)c1cccc(OCc2ccc(Br)cc2)c1 96538905 NYRMRQVHJDZPKC-UHFFFAOYSA-N 335.197 4.205 0 40 EIAB O=C(CSCc1ccccc1)N1CCS[C@@H](c2ccco2)CC1 207007785 XJEMLGLREFALJZ-QGZVFWFLSA-N 347.505 4.220 0 40 EIAB COc1cc(OC)cc(-c2nc3cc(C)cc(Br)c3[nH]2)c1 216916428 RTQWFLMWNDNUQE-UHFFFAOYSA-N 347.212 4.318 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCCCc1ccccc1Cl 224741340 XJKNMHQHZXAJME-UHFFFAOYSA-N 340.225 4.424 0 40 EIAB COc1ccc(NC(=S)NC(C(C)C)C(C)C)c2cccnc12 225329040 MQOBYJUFLUHWHE-UHFFFAOYSA-N 331.485 4.210 0 40 EIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 225623756 ZIEGLDYGANETAC-IBGZPJMESA-N 337.460 4.026 0 40 EIAB CCOc1cccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225662615 DDAIVXXIXNKVEX-UHFFFAOYSA-N 341.451 4.456 0 40 EIAB COc1ccncc1NC(=O)c1cc(C)n(C2CCCCC2)c1C 332620583 CBBAPEREQBLBBP-UHFFFAOYSA-N 327.428 4.266 0 40 EIAB O=C(Oc1ccc(-c2ccccc2)nn1)C12CC3CC(CC(C3)C1)C2 408532496 ZCVJRTLPURWEBJ-UHFFFAOYSA-N 334.419 4.265 0 40 EIAB COCCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 409228951 HOMNKNYFVCLWFW-NTCAYCPXSA-N 333.453 4.057 0 40 EIAB Fc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 154615 ZKXINDRBTNUXPA-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)cc1 423650 SEUGIDUNXGLDDM-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(OC)cc1 425628 AHFZKSRHGMCCSU-UHFFFAOYSA-N 345.406 4.130 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)cc1 483748 BTLHASTWOAXAAE-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB COc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 530910 HNUCDPOXNDABRN-DLBZAZTESA-N 340.814 4.086 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1 580009 SAOQDMGJNHPFPQ-OAHLLOKOSA-N 334.213 4.245 0 40 EIAB CC(=O)c1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)c1 784491 BSPURTJDKZTSBI-UHFFFAOYSA-N 326.377 4.168 0 40 EIAB CCN(C(=O)CCCC(=O)N(CC)c1ccccc1)c1ccccc1 2135783 DZHKQJWGPHSYDR-UHFFFAOYSA-N 338.451 4.263 0 40 EIAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc2ccccc2c1 2634850 RCZJOJJHTBCXKI-UHFFFAOYSA-N 341.451 4.137 0 40 EIAB Cc1ccc2nc(NC(=O)c3cc(F)c(F)c(F)c3F)sc2c1 3189245 JDZGDOIVELJZCL-UHFFFAOYSA-N 340.301 4.413 0 40 EIAB COc1cc(NC2=Nc3cccc4cccc2c34)cc(OC)c1OC 3195860 XEGZRSQVJYHWQT-UHFFFAOYSA-N 334.375 4.369 0 40 EIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccccc1 3366123 MDDFBYPIHKZALV-GFCCVEGCSA-N 328.462 4.440 0 40 EIAB CCc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 3374287 WUSIXYBLZGLJOH-LJQANCHMSA-N 325.408 4.059 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(Cl)c1 3503708 KTAINNSIIODGKB-UHFFFAOYSA-N 331.828 4.256 0 40 EIAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc3ccccc23)c1 4836681 KBWKCMZWDUCLHF-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(s1)CCCC2 6510227 HMNIIFROKKOYJF-UHFFFAOYSA-N 329.421 4.041 0 40 EIAB C[C@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 6638936 YDTGXDPVOVASKX-UGSOOPFHSA-N 328.843 4.334 0 40 EIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)CCC2 6649559 JVHLDDKGQHBTCT-UHFFFAOYSA-N 334.444 4.480 0 40 EIAB CCOc1cccc(CNCc2ccncc2)c1OCc1ccccc1 6870598 KEJHHVZXUMOVIJ-UHFFFAOYSA-N 348.446 4.349 0 40 EIAB Cc1nc(SCC(=O)NC2CCCC2)n(C2CCCCC2)c1C 6973258 WXSZUTLMZMXPJP-UHFFFAOYSA-N 335.517 4.156 0 40 EIAB CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 7342853 NTABDZDLAASUEQ-WJDWOHSUSA-N 340.404 4.179 0 40 EIAB Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c2ccccc2n1 7989304 QWMMCNPBTUSIDT-GFCCVEGCSA-N 326.346 4.312 0 40 EIAB COc1ccc2cc(CNC(=O)[C@H](C)Oc3ccc(C)cc3)ccc2c1 9935978 OIVQWLVFGDQTOM-INIZCTEOSA-N 349.430 4.241 0 40 EIAB O=C(Nc1ccc2ncsc2c1)c1ccc(Br)s1 10217193 NGVLGYYULKQBSR-UHFFFAOYSA-N 339.239 4.373 0 40 EIAB CSc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10252309 SAILOCOPCVAAAP-UHFFFAOYSA-N 341.461 4.108 0 40 EIAB COc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1 12555350 GOJMNOCHCBQJDN-UHFFFAOYSA-N 340.810 4.249 0 40 EIAB CCOc1ccccc1OCC(=O)N(C)Cc1ccc2ccccc2c1 12790607 MIPGZYGYQSGZAX-UHFFFAOYSA-N 349.430 4.276 0 40 EIAB Cc1ccccc1OCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 12877764 FFELXCDNOHSKHP-IBGZPJMESA-N 329.827 4.295 0 40 EIAB Cc1c(Cl)c(-c2ccc(NS(C)(=O)=O)cc2)nc2ccccc12 15453962 IHLHPQQEJPXDCT-UHFFFAOYSA-N 346.839 4.235 0 40 EIAB CCOc1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 15838764 FFSFZFQJRZKCFS-UHFFFAOYSA-N 337.375 4.022 0 40 EIAB Cc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1 17051473 UYDGAXVBRDIPFW-UHFFFAOYSA-N 343.430 4.137 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577842 FXTPXPWGTYVECV-UHFFFAOYSA-N 342.414 4.467 0 40 EIAB COc1ccccc1CNC(=O)c1cccnc1Nc1cccc(C)c1 22073044 OTAIARGTYFRQGL-UHFFFAOYSA-N 347.418 4.072 0 40 EIAB CCc1nc2ccc(NC(=O)c3c(OC)cccc3OC)cc2s1 22254850 FQLKNLLFYRIXCS-UHFFFAOYSA-N 342.420 4.128 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 28231175 RSQAWUBGDGUHSR-VQTJNVASSA-N 345.446 4.290 0 40 EIAB O=C(COc1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29849749 UVSSZHRJXSQAMP-JOCHJYFZSA-N 343.426 4.240 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 30758541 HPCNMZKWMMJWKR-JTQLQIEISA-N 340.206 4.408 0 40 EIAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)s1 32549567 WPKFGPYZPRJUJG-CQSZACIVSA-N 335.494 4.046 0 40 EIAB O=C(COC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCC2 32954364 XDTIORTUJWENHT-UHFFFAOYSA-N 348.442 4.413 0 40 EIAB CCCCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 33508988 YSEAFHJKHJAWQB-UHFFFAOYSA-N 334.419 4.435 0 40 EIAB C[C@@H](NC(=O)CC(C)(C)C)c1ccc(OCc2cccnc2)cc1 36396014 LXQIXINTRGMDDW-OAHLLOKOSA-N 326.440 4.274 0 40 EIAB Oc1ccccc1N1CCN(C2c3ccccc3-c3ccccc32)CC1 38397966 ACAGROBGWBHGDW-UHFFFAOYSA-N 342.442 4.284 0 40 EIAB O=C(Nc1cccc(CNCc2c(F)cccc2Cl)c1)C1CC1 48332667 RLTKLEUEOUJIJS-UHFFFAOYSA-N 332.806 4.117 0 40 EIAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)cc1 50768780 PLWNLIBFKZXQQF-GOSISDBHSA-N 345.446 4.033 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4ccc(C)c(C)c4o3)nc12 57352675 XVWMVOIXKYEJEW-UHFFFAOYSA-N 340.408 4.389 0 40 EIAB Cc1cccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c1 58160821 RHSCHAGDAHBHAP-UHFFFAOYSA-N 330.431 4.313 0 40 EIAB O=C(/C=C/c1ccccc1F)N(Cc1ccccc1)c1ccccn1 60850428 QXXUNCNOFNQZDD-BUHFOSPRSA-N 332.378 4.467 0 40 EIAB FC(F)(F)c1ccnc(SCc2nc3ccccc3s2)n1 68128138 OADHMTWTVYZYKB-UHFFFAOYSA-N 327.356 4.397 0 40 EIAB CC(=O)Nc1ccc(C)cc1NCc1ncc(-c2cccs2)o1 72912240 RUFXKEKYXCLLIB-UHFFFAOYSA-N 327.409 4.282 0 40 EIAB O=C(Nc1csc(N2CCCCC2)n1)[C@H]1C[C@H]1c1cccc(F)c1 76094657 PDSDWDRKVRAREE-GJZGRUSLSA-N 345.443 4.015 0 40 EIAB CCOC[C@@H]1CCCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 79306199 XDIUHBKNPMYFPL-HUUCEWRRSA-N 336.501 4.391 0 40 EIAB CSc1cccc(NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1 84291687 WARSLIXQEORYKO-UHFFFAOYSA-N 340.408 4.411 0 40 EIAB CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)OCc1cccc(OC)c1 84721656 XHKRSZJGNUYAIM-FCEWJHQRSA-N 333.472 4.028 0 40 EIAB Fc1ccccc1OCCNc1cccc(Cl)c1-n1cccn1 95364896 XNLDWLJUAYUXEI-UHFFFAOYSA-N 331.778 4.156 0 40 EIAB Cc1nc(C2CC2)oc1C(=O)Nc1ccc(F)cc1OCC1CC1 95940032 UKEOOQCNGQLBSY-UHFFFAOYSA-N 330.359 4.041 0 40 EIAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2nc3ccccc3s2)C1 95969035 NVFGKXYPOQYVPS-DKIAMSCKSA-N 336.526 4.027 0 40 EIAB CCSc1ccc(NC(=O)N(CC)[C@@H](C)c2cccnc2)cn1 96406977 IKXZBMXKZVCMNS-ZDUSSCGKSA-N 330.457 4.204 0 40 EIAB CCO[C@H](C)c1nc(C(=O)N2CC[C@H](c3ccccc3C)C2)cs1 96416440 IYCADFIYQKBQHT-CABCVRRESA-N 344.480 4.179 0 40 EIAB Cc1c(C)n(Cc2cccnc2)c2ncn(C3CCCCCC3)c(=N)c12 101413514 MSMIBZWFLKYGJS-UHFFFAOYSA-N 349.482 4.273 0 40 EIAB COc1ccc(CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)c2ccncc2)cc1 108350936 LGGISAPQDZOUDA-ZWOKBUDYSA-N 336.435 4.060 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1Cl 216313237 QBDVTQISMHXFAR-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 218981141 PIKWYRFONWYUFV-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCCc2ccccc21 223160827 BDMUAVSDDKPPSE-MRXNPFEDSA-N 335.447 4.312 0 40 EIAB COc1cccnc1NC(=S)NC(c1ccccc1)c1ccccc1 225520482 CQAKZLRZSJXZEA-UHFFFAOYSA-N 349.459 4.166 0 40 EIAB CCc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1 225640404 JBCFCWZSGMIWEZ-OAHLLOKOSA-N 328.481 4.311 0 40 EIAB CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225754478 MNUICBBMFLAKOO-UHFFFAOYSA-N 348.446 4.128 0 40 EIAB Cc1ccc(OCCCC(=O)N[C@H](C)CCc2ccccc2)cc1 408705544 IHCFAMWLBFTHRH-GOSISDBHSA-N 325.452 4.292 0 40 EIAB CC(C)n1ccc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)n1 1569330394 IOTZIGZDBLTZLU-UHFFFAOYSA-N 348.450 4.032 0 40 EIAB Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCCCC1 527020 NJHNOFCPVDRJCZ-UHFFFAOYSA-N 340.855 4.124 0 40 EIAB COc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 1302652 JQNCDMBJULTQIN-UHFFFAOYSA-N 340.408 4.166 0 40 EIAB CCOC(=O)c1cc2c(CSc3ccccc3)nn(C)c2s1 1398172 KCRGAMRWKYOIJU-UHFFFAOYSA-N 332.450 4.104 0 40 EIAB CC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc2c(c1)OCO2 2095822 CMXBSXMYHNZPFE-KRWDZBQOSA-N 343.423 4.187 0 40 EIAB biogenic CCCC(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2667177 XMAAIXPCMMRPKL-NSHDSACASA-N 344.069 4.365 0 40 EIAB O=C(NCCOc1ccccc1F)C(c1ccccc1)c1ccccc1 3092232 AHPJTHWGUHPCKX-UHFFFAOYSA-N 349.405 4.153 0 40 EIAB C[C@@H](Nc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 3353353 AKRZATARIHEQQV-CYBMUJFWSA-N 334.375 4.008 0 40 EIAB CC(=O)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340051 CPFCSBARSVWUAB-UHFFFAOYSA-N 328.751 4.347 0 40 EIAB biogenic Cc1ccc(N2C(=O)C(=N)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 4795901 IQXLLBLVXPUEDM-UHFFFAOYSA-N 348.189 4.252 0 40 EIAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 4854190 MJDQEQCIQKXCOI-FQEVSTJZSA-N 347.418 4.134 0 40 EIAB C[C@H]1C[C@H]1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 5405609 WXZSTUOCEWEPDV-WMLDXEAASA-N 347.414 4.227 0 40 EIAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(OC)c1 5461230 ZUUBOBVDHUHEQK-NSHDSACASA-N 331.437 4.142 0 40 EIAB Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 5936528 MGWCORPWJOSOIP-UHFFFAOYSA-N 349.868 4.263 0 40 EIAB CCc1ccc(OCC(=O)Nc2ccc(CN(CC)CC)cc2)cc1 8086964 OHJOTJGTWHNBBL-UHFFFAOYSA-N 340.467 4.108 0 40 EIAB Cc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 8471232 UTFFWTMWQPFYJT-GAIPOIILSA-N 341.410 4.444 0 40 EIAB Cc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)c(C)c1 8916190 DJHJVUFKLRWLJD-UHFFFAOYSA-N 335.860 4.500 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)c(C(F)(F)F)c1 10641066 KCRHGNBOFIPPNC-JXMROGBWSA-N 348.324 4.316 0 40 EIAB O=C(CNc1cccc(F)c1)N[C@H](c1ccccc1)c1cccs1 11121642 BZUVITYVTSXDJJ-LJQANCHMSA-N 340.423 4.205 0 40 EIAB Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@H](c1ccccc1)O2 12297024 IIBKUPHYBRWTHU-MRXNPFEDSA-N 334.371 4.425 0 40 EIAB biogenic CC(C)Cc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 12569471 ZXTUFTRGOQFQGY-UHFFFAOYSA-N 329.347 4.008 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cs1 12620953 XAJJPKXCRNLSGZ-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 13020816 CZXFNVIXZABIGD-CYBMUJFWSA-N 329.371 4.133 0 40 EIAB CC(C)C(NS(=O)(=O)Cc1c(Cl)cccc1Cl)C(C)C 13677535 WCZORPUSXZJTKM-UHFFFAOYSA-N 338.300 4.093 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1cccs1 14069337 HZOZWFGOTOTLBH-NSHDSACASA-N 345.855 4.387 0 40 EIAB Cc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 14076217 KORCWKOIWLMNIW-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccc(F)cc1 14079568 XSCUQDWPNOMHID-INIZCTEOSA-N 337.753 4.017 0 40 EIAB COc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14399168 HURGGQZDJUQSIM-AWEZNQCLSA-N 347.842 4.049 0 40 EIAB O=C(NCCc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 17066700 HWUCOYGDLFCYQP-UHFFFAOYSA-N 326.293 4.209 0 40 EIAB Cc1ccc(Cn2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 17071596 SJWWJEYLJXBVBM-UHFFFAOYSA-N 342.489 4.356 0 40 EIAB Fc1cccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)c1F 19373747 FJQBSIMWIJITLS-DLBZAZTESA-N 339.389 4.071 0 40 EIAB CC(C)c1nc2ccc(NC(=O)c3ccnn3C(F)F)cc2s1 19453863 CPCQKDAHXCDWHA-UHFFFAOYSA-N 336.367 4.264 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20491868 GQISRMXGZNCVEM-JKSUJKDBSA-N 327.424 4.038 0 40 EIAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1cccs1 23127274 ZVGXGKZGFPTUTF-UHFFFAOYSA-N 338.388 4.008 0 40 EIAB CCCc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 23691717 PMIUHGYVLXTWOI-KRWDZBQOSA-N 336.435 4.169 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1 30570750 WNDHMXOGTBRYST-UHFFFAOYSA-N 344.415 4.018 0 40 EIAB Cc1cc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)c(C)s1 31798243 FZQCMVNQGPHFMU-UHFFFAOYSA-N 335.498 4.191 0 40 EIAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2cccc(F)c2)C1 36359397 JYWBWMSRBWOWPI-CYBMUJFWSA-N 331.416 4.396 0 40 EIAB Cc1cc(C)cc(CSc2ncc(CN3CCCCC3)c(O)n2)c1 43804338 WRKGTZCMMKKQGH-UHFFFAOYSA-N 343.496 4.077 0 40 EIAB Cc1ccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cn1 45270423 FBOBBGDFOWCNSM-OAHLLOKOSA-N 347.871 4.080 0 40 EIAB CCc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45888572 DYKOUYMPAJXFSE-UHFFFAOYSA-N 325.437 4.310 0 40 EIAB CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 48463847 CCELYGPUOJLGKQ-HNNXBMFYSA-N 336.435 4.375 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCOC2CCCC2)c1 61254713 GWGICPPIZMYFNN-KRWDZBQOSA-N 347.499 4.351 0 40 EIAB CC[C@H](NC(=O)N(C)Cc1scnc1C)c1ccc(Cl)cc1 66698504 BXPHJXGEEQOSBW-AWEZNQCLSA-N 337.876 4.398 0 40 EIAB CN(C)Cc1cccc(CNCc2cnc(-c3ccccc3)s2)c1 66971219 ROPGKRYPFKXFGQ-UHFFFAOYSA-N 337.492 4.162 0 40 EIAB C[C@H](C(=O)Nc1ccccc1F)n1c(-c2cccs2)n[nH]c1=S 69560559 JROAAHZWTOKHRS-SECBINFHSA-N 348.428 4.008 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(F)c(N(C)C)c(F)c1 71915970 IVHPDRPWMBPHMM-MRXNPFEDSA-N 348.397 4.041 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(C(=O)CCc3ccccn3)C2)n1 72297215 BKKSTTAYJZSMCF-OAHLLOKOSA-N 343.496 4.000 0 40 EIAB O=C(c1ccccc1SCc1cscn1)N1C[C@H]2CCC[C@H]2C1 89809602 JUFDMSBPTQOYDJ-OKILXGFUSA-N 344.505 4.308 0 40 EIAB Cc1cnc(CNc2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)o1 95966866 GJBFWDJXYCOYIY-UHFFFAOYSA-N 343.427 4.283 0 40 EIAB O=C(c1ccc2[nH]cnc2c1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166723 PJHSOLNVTOILQO-ROUUACIJSA-N 349.409 4.253 0 40 EIAB CC(C)c1ccc(/C=C\[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 102354453 PZKRHDFROJTOHK-DSTYWPJMSA-N 346.474 4.447 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 216293901 BUMDXGFINDUWSY-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB Cc1ccc(CCCNC(=O)CCSCc2ccccc2)cc1 218995486 OJBJQVLWFNWERW-UHFFFAOYSA-N 327.493 4.367 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N1CCS[C@@H](c2ccco2)CC1 219370274 FWJMDRPHXXCIJA-GOSISDBHSA-N 340.448 4.010 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(C(C)=O)c2)cc1 222884844 OIKMAONSFRXVQV-LJQANCHMSA-N 325.408 4.248 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1cc(C)cc(C)c1C 224273573 QHZGVHWVTOQLOY-UHFFFAOYSA-N 341.451 4.338 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225120155 YBOJPAHXKLCLPX-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB Cc1ccc(SCCNC(=O)c2ccc3c(c2)CCCC3)cc1 225625515 AHDVYSFAZSAUOV-UHFFFAOYSA-N 325.477 4.396 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(Cl)c2)cc1 225639644 OUZXWNHUZOGNKL-CYBMUJFWSA-N 334.872 4.402 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1snnc1-c1ccccc1 225759361 LLBVPVLTWBTWMB-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCNc1cc(C)c2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 226283626 SILAHPHPXCEGLV-UHFFFAOYSA-N 342.395 4.261 0 40 EIAB CCn1c(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)nc2ccccc21 245284506 SICXNSGIJAQIBB-RBSFLKMASA-N 345.512 4.326 0 40 EIAB COCCN=c1cc(-c2ccc(OC)cc2)oc2ccc(Cl)cc12 254699924 SFXQDEXSKGZZCN-UHFFFAOYSA-N 343.810 4.309 0 40 EIAB Cc1noc(C)c1-c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)n1 257243561 IHNIAMSMPXKXBW-LJQANCHMSA-N 347.418 4.331 0 40 EIAB O=C(O)[C@H]1CN[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 408979528 RIVJCCRNXUMKCC-CHWSQXEVSA-N 344.219 4.042 0 40 EIAB Cc1ccc2sc(C(=O)N3CCC[C@H]3c3cnn(C)c3C)cc2c1 585084956 YVUNGRAUIPBOJJ-INIZCTEOSA-N 339.464 4.229 0 40 EIAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1c(F)cccc1F 618256032 DMPLVBISZBBDQC-GFCCVEGCSA-N 333.359 4.181 0 40 EIAB O=C(NCc1cc(-c2ccoc2)cs1)C1(c2ccc(F)cc2)CC1 1775969690 GMIPASTZIVLGSN-UHFFFAOYSA-N 341.407 4.495 0 40 EIAB COc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 55165 DAHZGZSWBFWXDM-UHFFFAOYSA-N 330.434 4.036 0 40 EIAB CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(Cl)cc1 214036 UILBYTAQZXYOPD-UHFFFAOYSA-N 341.823 4.242 0 40 EIAB Cc1cc(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2ccccc12 419600 JZXFDOGDYOWSJZ-HUUCEWRRSA-N 328.481 4.425 0 40 EIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 505686 IWLWXIFVVMXNNL-HNNXBMFYSA-N 326.440 4.284 0 40 EIAB Cc1ccccc1C(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 514231 BXRUXPIAMVIOAA-UHFFFAOYSA-N 338.366 4.245 0 40 EIAB CC1(C)COC(CCCC(=O)c2ccc(C(F)(F)F)cc2)OC1 2518071 RBXUGUQQCVRXDU-UHFFFAOYSA-N 330.346 4.458 0 40 EIAB Cc1noc(C)c1COC(=O)COc1ccc(-c2ccccc2)cc1 3247440 HOEQCMHPDLIIMA-UHFFFAOYSA-N 337.375 4.081 0 40 EIAB Fc1ccccc1-c1n[nH]c(SCCOc2ccccc2Cl)n1 4877864 YFLNQENRRQEVQW-UHFFFAOYSA-N 349.818 4.435 0 40 EIAB CCCC[C@H](CC)C(=O)N[C@H](C)CNC(=O)[C@H](CC)CCCC 4894202 NQBVGWKSYOLZMJ-ZACQAIPSSA-N 326.525 4.040 0 40 EIAB CC[C@]1(C)C[C@@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 5008156 HPAWIRFVASVWBY-NHCUHLMSSA-N 329.484 4.321 0 40 EIAB CCc1cccc(C)c1NC(=O)CNc1ccc(Br)cc1 5172787 QLUTVRQWIRONSO-UHFFFAOYSA-N 347.256 4.371 0 40 EIAB CCOC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 5414091 JEYZWLIFWMMTLO-UHFFFAOYSA-N 330.434 4.014 0 40 EIAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(F)cc1 6035562 AEVOJSFFSANDMZ-SNVBAGLBSA-N 344.367 4.458 0 40 EIAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 6258722 XJWDPVXOXWEEIU-GFCCVEGCSA-N 348.240 4.418 0 40 EIAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(F)(F)F 8053966 XAIUJBNXFRDMHG-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB Cc1nc(NCc2ccc(F)cc2)sc1C(=O)Nc1ccccc1 8298732 KBKXNSRYRZRMNZ-UHFFFAOYSA-N 341.411 4.455 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1 8429467 MZGHQDCCMRWIAM-UHFFFAOYSA-N 334.375 4.059 0 40 EIAB c1ccc2c(-c3csc(Cc4nnc5n4CCCCC5)n3)c[nH]c2c1 8943719 NRFWKTKQYUIMBN-UHFFFAOYSA-N 349.463 4.200 0 40 EIAB CC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 9050242 CYWNARCXMJMNNW-OAHLLOKOSA-N 349.434 4.076 0 40 EIAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccccc1Cl 9220143 ODIIZBPSCYIBDA-UHFFFAOYSA-N 343.835 4.393 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c(C)c1 10456709 AEFUPTIDSNGPLU-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)s1 10593083 ANOPEEDTHSTEGG-UHFFFAOYSA-N 334.828 4.089 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 11614127 WDLOUISMJZFMIE-UHFFFAOYSA-N 335.469 4.096 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)c1 12558848 WOYBAZMRDPNABS-KRWDZBQOSA-N 337.467 4.424 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 12992243 RWAKTFQPDLSFNY-LLVKDONJSA-N 341.411 4.144 0 40 EIAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc2cccnc12 13003952 BJEZXSLXXLQENZ-HSBSLETESA-N 334.444 4.455 0 40 EIAB CC(C)c1ccccc1OCC(=O)NCCc1ccc(Cl)cc1 13023163 UJDPHPGPMWGVAJ-UHFFFAOYSA-N 331.843 4.201 0 40 EIAB Cc1nc2c3ccccc3nc(SCc3nc4ccccc4o3)n2n1 13229753 CNQSQTNBHKLGAA-UHFFFAOYSA-N 347.403 4.019 0 40 EIAB C[C@@H]1Sc2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2NC1=O 14134531 BFTPNYODMLLLQA-MNOVXSKESA-N 346.477 4.014 0 40 EIAB CC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 17012987 GKKUCOWJGHIGLL-UHFFFAOYSA-N 333.395 4.231 0 40 EIAB Cc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1 19936976 HXJXTRLWAXAURH-UHFFFAOYSA-N 329.709 4.018 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)NC[C@H](C)c1ccccc1 22018169 NOCJMNFPWUQURV-KBPBESRZSA-N 340.448 4.228 0 40 EIAB CC(=O)[C@H](C)OC(=O)CCN1c2ccccc2Sc2ccccc21 22142120 KQNCLDUSVGKUEY-AWEZNQCLSA-N 341.432 4.200 0 40 EIAB CSCc1c(C(=O)Nc2ccc(N(C)C)nc2)oc2ccccc12 22394751 WBWSFSHDRYTEDK-UHFFFAOYSA-N 341.436 4.009 0 40 EIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccnc(Cl)c2)cc1 25386564 IXXAZDDZGOKVFX-INIZCTEOSA-N 330.815 4.111 0 40 EIAB O=C(CCC1CCCC1)Nc1cnn(Cc2ccc(Cl)cc2)c1 28220318 KXWCNPCOSDTYFY-UHFFFAOYSA-N 331.847 4.494 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 30866148 SWLQDVQZUKGJPI-QGZVFWFLSA-N 341.451 4.094 0 40 EIAB O=C(Oc1ccc2c(c1)CN(Cc1ccccc1)CO2)c1ccccc1 31628782 KFRJDNFDPOCDFU-UHFFFAOYSA-N 345.398 4.258 0 40 EIAB in-vitro Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@H]1c1ccsc1)C2 40107782 AWCUMYVCIDUQKQ-DOTOQJQBSA-N 329.490 4.437 0 40 EIAB O=C(Nc1ccc2cn[nH]c2c1)C1c2ccccc2Oc2ccccc21 42383394 RDWWCJJLUMZTAA-UHFFFAOYSA-N 341.370 4.439 0 40 EIAB O=C(CCc1ccccc1F)NCc1cccc(C(F)(F)F)c1 47340856 HYWCJZVBWJBSNL-UHFFFAOYSA-N 325.305 4.094 0 40 EIAB C[C@@H](c1cccc(Cl)c1)N(C)Cc1nc(O)c2sccc2n1 53232817 SGTCXJJBBCETGM-JTQLQIEISA-N 333.844 4.243 0 40 EIAB CCC(CC)(CC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)O 55150058 GARBMXAQWZAYCU-ZDUSSCGKSA-N 331.412 4.200 0 40 EIAB O=C(Nc1ccccc1Cl)C1CCC(NC(=O)C2CCCC2)CC1 69588615 YSQKIKXEBCCJQN-UHFFFAOYSA-N 348.874 4.144 0 40 EIAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc(F)c1 71286755 VJHFTJIEKBXPGS-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB CN(C)c1ccc(-n2c(-c3cccc(N)c3)nc3ccccc32)cc1 73739977 GSDJANYWZLJQNR-UHFFFAOYSA-N 328.419 4.341 0 40 EIAB Cc1cccc(C(C)(C)NC(=O)N[C@H](c2nccs2)C2CC2)c1 74709166 HSKFXLOJXHCKNB-HNNXBMFYSA-N 329.469 4.137 0 40 EIAB O=C(c1cc(-c2ccco2)on1)N1CCC(c2cccs2)CC1 75157033 MEVFALQQWKHQHT-UHFFFAOYSA-N 328.393 4.016 0 40 EIAB O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CCSCC1 85651686 YIUUHAHGRXXWPQ-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)CCCc2ccc(O)cc2)s1 95414335 HIMDIRZVBAXRDG-KRWDZBQOSA-N 329.465 4.449 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@@H](OC)c2cccc(F)c2)cc1 96388178 VQTJSIWNFQOTNN-LJQANCHMSA-N 345.414 4.122 0 40 EIAB CO[C@H](CNC(=O)c1cc2ccccc2s1)c1cccc(F)c1 96388334 MOOXHOPUFYLVPA-OAHLLOKOSA-N 329.396 4.158 0 40 EIAB Cc1cc(C)c2c(c1)s/c(=N\C(=O)Cc1ccc(C)c(C)c1)n2C 100987572 KGLXTNCEYWXYLV-MRCUWXFGSA-N 338.476 4.143 0 40 EIAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 102509419 WWCZZUCBFHITNR-GRYCIOLGSA-N 329.271 4.298 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 113970458 LVYHUYSAGGCHHM-BEFAXECRSA-N 329.415 4.477 0 40 EIAB Cc1ccc(N(C)c2ncnc3ccc(-c4ccc(CO)o4)cc23)o1 116833045 STBPLRTXXJJXLR-UHFFFAOYSA-N 335.363 4.051 0 40 EIAB in-vitro Cc1cc(C)cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222579517 USDCDEMUDPPCER-UHFFFAOYSA-N 335.382 4.460 0 40 EIAB CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1Cl 223676401 UGYHFORKAQHICE-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB CCCCOCc1cc(C(=O)Nc2ccccc2OC)ccc1OC 224438312 UOUVFJPXMXAISI-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB CCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225885108 OWXVPXDFYWXRON-UHFFFAOYSA-N 336.476 4.205 0 40 EIAB CCc1ccccc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039345 UHXPOYZOMOCJMV-UHFFFAOYSA-N 327.767 4.261 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccccc1Cl 253473506 VRHFWFAIKCHLQC-CYBMUJFWSA-N 327.811 4.376 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260740925 ARBQORPFZLAVNC-GALXQHASSA-N 327.468 4.028 0 40 EIAB Cc1ccccc1C(=O)N[C@@H](c1nc(-c2ccccc2)no1)C(C)C 526052150 ADJHFANEKBBQIM-QGZVFWFLSA-N 335.407 4.172 0 40 EIAB O=C(NCc1ccc(-c2ccncc2)cc1)[C@H]1CCCc2ccccc21 606816148 XDJNQTZXDDNHNL-QFIPXVFZSA-N 342.442 4.485 0 40 EIAB CC(C)[C@@H](N)c1cccc(C(=O)c2ccc(Br)cc2)c1 1775937821 STNGFOFITPFXKP-MRXNPFEDSA-N 332.241 4.336 0 40 EIAB O=S(=O)(c1cccs1)N(Cc1ccccc1)Cc1ccccc1 105633 BQLMEULTPNKBRO-UHFFFAOYSA-N 343.473 4.139 0 40 EIAB Cc1cccc(C(=O)Oc2cccc(C(=S)N3CCCCC3)c2)c1 306165 KLDBFVHNAJMPFW-UHFFFAOYSA-N 339.460 4.376 0 40 EIAB COc1ccc(CNC(=O)c2oc3ccc(Cl)cc3c2C)cc1 387709 OIENSSZSAWUJOC-UHFFFAOYSA-N 329.783 4.333 0 40 EIAB Cc1nc2sc3c(NCC(C)C)ncnc3c2c2c1CCCC2 503398 CCPGBCBETNHEAJ-UHFFFAOYSA-N 326.469 4.495 0 40 EIAB Cc1cc2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2n1 1390293 CVMXOJCZQAORDK-UHFFFAOYSA-N 325.375 4.044 0 40 EIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 2649871 ASEQUVVHAWLRAW-ZDUSSCGKSA-N 328.437 4.073 0 40 EIAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccco1 2886789 KVDOLXUDBHOBFX-UHFFFAOYSA-N 345.376 4.339 0 40 EIAB COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 3229350 ZJVKYNGLIPEWKP-UHFFFAOYSA-N 347.414 4.301 0 40 EIAB CCC[C@@H](C)NCC(=O)Nc1cc2oc3ccccc3c2cc1OC 3291326 JVXXLMNTHKEIPM-CYBMUJFWSA-N 340.423 4.311 0 40 EIAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 3299234 VDDZWQOPRIJNGV-UHFFFAOYSA-N 341.411 4.079 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)n1 3412523 SHDDAPBCMUCXSR-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB Cc1ccc(C(=O)N2CCc3ccccc32)cc1NC(=O)c1ccco1 3451593 ZDCWHPRKVGFROG-UHFFFAOYSA-N 346.386 4.043 0 40 EIAB COc1ccc(CCNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 4784126 IYLDHEPIRVWXQA-UHFFFAOYSA-N 339.366 4.067 0 40 EIAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 5020223 FTBYVQFJHLESQB-MRXNPFEDSA-N 327.815 4.343 0 40 EIAB CC(C)c1cc(C(=O)OCC(=O)c2ccc[nH]2)c(O)c(C(C)C)c1 5102430 DZPUIJGAJZOCQY-UHFFFAOYSA-N 329.396 4.007 0 40 EIAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(Cl)cc1 5827134 YSZOISBSRWWBOB-NSHDSACASA-N 345.855 4.346 0 40 EIAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3F)[nH]c2c1 5927851 SNNOOHYVJWETAJ-NSHDSACASA-N 329.400 4.130 0 40 EIAB CC(C)[C@H](NC(=O)C(C)(C)c1ccccc1)c1nc2ccccc2[nH]1 6664265 WTHBGIBAANAEDL-SFHVURJKSA-N 335.451 4.354 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccccc32)c1 7269223 GNCDALBFOQIXCD-WMLDXEAASA-N 327.449 4.116 0 40 EIAB COC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 7989598 SJCCQPOXJGAGMM-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB O=C(c1cc(-c2csc(-c3ccsc3)n2)c[nH]1)N1CCCC1 9376602 VAKJVWZIFQSIJQ-UHFFFAOYSA-N 329.450 4.103 0 40 EIAB COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1 11689911 WWQUCBYCNUNILG-UHFFFAOYSA-N 349.386 4.305 0 40 EIAB O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 11899746 HKGRTSYCNYIJLH-UHFFFAOYSA-N 337.316 4.306 0 40 EIAB Cc1ccccc1SCC(=O)NCc1ccc(C(F)(F)F)cc1 12623149 XCJDWAJZJGROEM-UHFFFAOYSA-N 339.382 4.422 0 40 EIAB CCc1ccc(OCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 13223718 FBNFCYOKZCMQOS-UHFFFAOYSA-N 346.430 4.153 0 40 EIAB COc1cc(/C=C/C=C/C=C/C=C/c2[nH]ccc2Cl)oc(=O)c1 13374750 ORHPDAGHBWRDQP-VTXBTNDESA-N 329.783 4.469 0 40 EIAB CCCc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 13695905 CMRKTNYFIYNNQF-UHFFFAOYSA-N 348.446 4.191 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1cccs1 14163359 XBQULIUNJZZFFR-SNVBAGLBSA-N 332.450 4.193 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 20458475 PNERQWQHXCUTCT-OALUTQOASA-N 345.414 4.259 0 40 EIAB CN(C(=O)CSCc1nc2ccccc2s1)c1ccccc1 24043749 JXMSIZYXBMAABR-UHFFFAOYSA-N 328.462 4.193 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc2cccnc12 27975449 UVPOWDFTMQVPOD-AWEZNQCLSA-N 332.403 4.130 0 40 EIAB COc1ccc(CN(C)C(=O)/C=C/c2ccccc2Cl)cc1OC 29264998 CFXYYABVBTWFEZ-PKNBQFBNSA-N 345.826 4.029 0 40 EIAB O=C(c1csc(-c2ccco2)n1)N1CCC(c2ccccc2)CC1 32367424 UFPIYWKILUFLLF-UHFFFAOYSA-N 338.432 4.423 0 40 EIAB COc1ccc(CCC(=O)N2CCCSc3ccccc32)cc1 32675985 XUXVMMIEJIQIAU-UHFFFAOYSA-N 327.449 4.157 0 40 EIAB Fc1c(F)c(CO[C@H]2CCCCO2)c(F)c(F)c1Br 34120855 NWFCNKLMRINAEA-ZETCQYMHSA-N 343.114 4.049 0 40 EIAB CCCCN(CCCC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104802 RRYZWELTRWKBPK-UHFFFAOYSA-N 345.487 4.357 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(Cl)cc1Cl 41095262 FAGAWXMXNXBFOW-TVQRCGJNSA-N 336.284 4.159 0 40 EIAB Clc1ccc2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 45887823 PFVLECNLLPIBFJ-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB Cn1ccnc1SCc1ccc(C(=O)NC2CCCCCCC2)o1 48234210 KHDNIKLMCLLIDZ-UHFFFAOYSA-N 347.484 4.148 0 40 EIAB Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 48313242 NZYGDPZUTKBMDT-UHFFFAOYSA-N 344.458 4.470 0 40 EIAB CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H](c1ccccc1)c1ccccn1 55419113 HBMLEBXGQLGATR-NRFANRHFSA-N 341.414 4.425 0 40 EIAB COc1ccc(-c2nc(CSCc3nc(C4CC4)no3)co2)cc1 56242979 PASGCRFTLGOJCX-UHFFFAOYSA-N 343.408 4.044 0 40 EIAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(C1CC1)C3 57135578 ZFXCBNLVDDVARD-UHFFFAOYSA-N 347.414 4.007 0 40 EIAB CC(=O)c1cccc(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 60358362 ZKUDHMUANMOJNM-UHFFFAOYSA-N 338.407 4.039 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1 62545484 SWDGKTDDYYLDRC-UHFFFAOYSA-N 334.375 4.018 0 40 EIAB O=C(c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 64550050 KSKQPQJGZKKGHN-UHFFFAOYSA-N 348.490 4.205 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cn1 65592409 LLSJCNOAYRJTCN-UHFFFAOYSA-N 336.439 4.278 0 40 EIAB CCc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2)nc1 75172173 HUZIKUGYSULICM-UHFFFAOYSA-N 334.379 4.475 0 40 EIAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccccc1C(F)(F)F 78597079 TVQAKAWAWPHMIA-DOMZBBRYSA-N 348.368 4.073 0 40 EIAB C[C@H](NC(=O)CCCc1ccccn1)c1ccc(C(F)(F)F)cc1 89904759 GXDJTSRUAGLKGP-ZDUSSCGKSA-N 336.357 4.301 0 40 EIAB O=C(O)c1ccc2cc(Br)c(Br)cc2c1 91297168 QZUXMZSECRBNNF-UHFFFAOYSA-N 329.975 4.063 0 40 EIAB in-vitro c1csc(-c2nnc(Sc3ccnc(C4CCCC4)n3)o2)c1 96011477 LVZSKJQPKZUZKI-UHFFFAOYSA-N 330.438 4.397 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 96586395 BULBJJSFZHQILL-OAHLLOKOSA-N 339.435 4.370 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)cc1C 96659192 IHCVXLWKVRNLAN-UHFFFAOYSA-N 333.453 4.120 0 40 EIAB C[C@H](Nc1cccc(C(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 97232252 MEXMGOULHZIGSJ-NSHDSACASA-N 340.395 4.169 0 40 EIAB Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166663 VQDWTCCWXAFTFS-HOTGVXAUSA-N 330.428 4.141 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O 100190198 MVBLPGQDJVQIJW-IRXDYDNUSA-N 339.357 4.429 0 40 EIAB O/C(=C\Sc1nnc(Cc2ccccc2)o1)c1ccc(F)cc1 101935046 QPAPKKSCKICNOT-PTNGSMBKSA-N 328.368 4.448 0 40 EIAB COC(=O)c1ccc(OCc2ccccc2C)c(Br)c1 216817720 MRBIPGGNSTWWBF-UHFFFAOYSA-N 335.197 4.123 0 40 EIAB CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2C)cc1 218981940 IANIIDBKGCAFSW-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB COc1cc(CNC(=O)c2cc3ccccc3o2)ccc1OC(C)C 219945053 KQIXLFDDLPMLCP-UHFFFAOYSA-N 339.391 4.159 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccccc2Cl)cc1 220018398 UTTZJCUAGKXLQC-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccccc2C(C)C)c1 222809488 UGSORYXGEOCDGR-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223206488 PTQAZNZELCXOOS-AWEZNQCLSA-N 343.854 4.393 0 40 EIAB O=C(CCSCc1ccccc1)NCCc1ccc(Cl)cc1 224277133 FZQXNQYNBVPVET-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CCCCC2)cc1 224745719 OCGNHDZPEITDJM-MRXNPFEDSA-N 338.451 4.177 0 40 EIAB CC[C@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc(OC)c(C)c1 225483583 VQRHAGPQPPOKFV-KRWDZBQOSA-N 347.480 4.050 0 40 EIAB Clc1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1 226240479 KGOYCOODQJJYAF-UHFFFAOYSA-N 337.250 4.442 0 40 EIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 390831613 SWLMRPQYDFRTQO-SFHVURJKSA-N 344.524 4.404 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCc1nc(C2CCCCC2)cs1 390831962 WGZKTWHEYIKWMH-AWEZNQCLSA-N 344.480 4.275 0 40 EIAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(C)cc2)S1 408802606 ZIHNARGWGLVESF-UHFFFAOYSA-N 339.440 4.075 0 40 EIAB Clc1ccc(C2=C[C@@H](c3ccccc3)N3NC=NC3=N2)cc1Cl 409058999 QEKUNZIAZMAIBG-INIZCTEOSA-N 343.217 4.294 0 40 EIAB CCCc1nc(-c2noc([C@@H](C)Oc3cccc(Cl)c3)n2)co1 515329972 FWTUCGKKUSJJCS-SNVBAGLBSA-N 333.775 4.471 0 40 EIAB Cc1oc2ccccc2c1C(=O)N1CCC(F)(c2ccccn2)CC1 564305870 VPJVMSJPPJDLFL-UHFFFAOYSA-N 338.382 4.237 0 40 EIAB O=C(Cc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256045 CAQJXIRASWHBBV-IRXDYDNUSA-N 335.369 4.492 0 40 EIAB c1ccc(CSCc2nnc3sc(-c4cccs4)nn23)cc1 1501039945 OHHCMBJBIPOJSW-UHFFFAOYSA-N 344.490 4.348 0 40 EIAB CCCn1c(SCc2ccc(Cl)cc2)nc2cc(C)[nH]c2c1=O 1889054795 CGAUABISBZWMAX-UHFFFAOYSA-N 347.871 4.389 0 40 EIAB Cc1ccc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1 221185 AKHJDZVBFHMWQC-UHFFFAOYSA-N 340.426 4.379 0 40 EIAB CC(C)(c1ccccc1)c1ccc(O)c(-n2nc3ccccc3n2)c1 254455 DFPWANCFLBQQDE-UHFFFAOYSA-N 329.403 4.452 0 40 EIAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccccc2F)cc1 568333 QZINQZXTNLUSAG-UHFFFAOYSA-N 337.398 4.019 0 40 EIAB NC(=O)c1c(NC(=O)CCC2CCCCC2)sc2c1CCCC2 997426 FCXDVRVUTWCMMD-UHFFFAOYSA-N 334.485 4.025 0 40 EIAB COc1ccc2c(CNc3cccc(C(F)(F)F)c3)cc(=O)oc2c1 2120125 BNBDZWQQSXBABJ-UHFFFAOYSA-N 349.308 4.433 0 40 EIAB biogenic CC[C@H](C)c1ccccc1NC(=O)COc1ncnc2ccccc12 3266189 OBPXMMSZISQXES-AWEZNQCLSA-N 335.407 4.161 0 40 EIAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 4525567 IHIULIUAYBBVFZ-BJOHPYRUSA-N 332.856 4.380 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)/C=C/c2cccs2)o1 4585565 LRUQRTGUPURCTM-CMDGGOBGSA-N 343.433 4.172 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1 4935817 QRRLQGBCAQSAQS-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nncn1C(C)C 5417371 XQVZMQWXICCFNR-LBPRGKRZSA-N 328.441 4.012 0 40 EIAB O=C1N/C(=C/c2ccccc2Cl)C(=O)N1c1cccc(Cl)c1 5846388 RRCGECLQFSCBQZ-RIYZIHGNSA-N 333.174 4.091 0 40 EIAB COc1cccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)c1 6451762 UCNRARVCOWDDRR-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCCCC1 7608514 ZNBGSSJNWGHBOY-UHFFFAOYSA-N 327.424 4.093 0 40 EIAB O=C(NC1CCCCC1)c1ccccc1OCCOc1ccccc1 7609054 BKLCCUXMLHAXOC-UHFFFAOYSA-N 339.435 4.207 0 40 EIAB Cc1cccc(OCCC(=O)OCc2ncc(-c3ccccc3)o2)c1 7778109 QMKWUUWDYMODAT-UHFFFAOYSA-N 337.375 4.162 0 40 EIAB O=C(OCc1ncc(-c2ccccc2)o1)c1nc(Cl)ccc1Cl 7985485 BBIPQSZLQYGQAU-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB Cc1noc(C)c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 7990099 JUVVUBGBZSTCCC-UHFFFAOYSA-N 330.771 4.135 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)NCc1cccc(Cl)c1 8274039 IGDHAFMNWSECBL-UHFFFAOYSA-N 348.880 4.384 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nc2ccccc2o1 8331781 KTMSLTZTDDNGIT-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8498155 QKJDYLQLVRFYLY-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB Cc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 8830908 YROGHGZLZANYLJ-UHFFFAOYSA-N 326.783 4.233 0 40 EIAB CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230486 ITNIZZPTANPHEC-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB COc1ccc([C@@H](N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9547868 VAHZNFBZMLURDU-ICSRJNTNSA-N 325.452 4.332 0 40 EIAB CCc1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc1 9669149 PHGMGTXWXLYLTE-UHFFFAOYSA-N 340.814 4.127 0 40 EIAB Fc1ccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c(Br)c1 11171296 YZIGHNMHQZWVFA-BETUJISGSA-N 343.265 4.092 0 40 EIAB C[C@@H](CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1)c1ccccc1 12128708 JRHKZMXWUDPRFR-DZFGPLHGSA-N 331.463 4.396 0 40 EIAB O=C(NCCc1ccco1)c1ccc2noc(-c3ccccc3)c2c1 12770427 FPYYXXBFHUZXDS-UHFFFAOYSA-N 332.359 4.060 0 40 EIAB O=C(Nc1ccccc1-c1cccs1)[C@@H]1COc2ccccc2O1 12775424 QYFHVJCPKLCYMW-KRWDZBQOSA-N 337.400 4.194 0 40 EIAB CCC[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 13005842 USFYBAUOCPXMLT-HXUWFJFHSA-N 333.435 4.072 0 40 EIAB Cc1cccc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)c1 13494878 MOLVBCJFGQUCHB-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc2C1 13708982 HYEMXXAXZHDOOA-INIZCTEOSA-N 331.415 4.192 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 14219432 XTWDNUOJOZYMHV-INIZCTEOSA-N 339.460 4.496 0 40 EIAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OC 15012334 XMBVZFXLURBYPD-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cc1F 15517345 OQOBEIMXZRKESV-IBGZPJMESA-N 338.382 4.037 0 40 EIAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1F 16090228 YBDQNWJCYXMMLD-UHFFFAOYSA-N 328.364 4.260 0 40 EIAB COCc1c(C(=O)Nc2cccc(OC)c2)sc2cccc(F)c12 17335086 XQBGSSONVLILNB-UHFFFAOYSA-N 345.395 4.448 0 40 EIAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1cccc(Br)c1 19934992 LUXDDZNFQVUBJZ-LLVKDONJSA-N 336.204 4.008 0 40 EIAB CSc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)cc1 20022770 OJTRAFLZDILCEK-LBPRGKRZSA-N 335.856 4.318 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 20107693 KFDXOEXLPSJOHB-KRWDZBQOSA-N 347.842 4.213 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 20456459 KDOWHFQXDPLQBO-AWEZNQCLSA-N 337.872 4.137 0 40 EIAB CCCCOC(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 21360114 KMATVJQLVDBWJL-UHFFFAOYSA-N 339.366 4.087 0 40 EIAB Cc1cc(NC(=O)[C@H](C)Oc2cc(C(C)C)c(Cl)cc2C)no1 21701548 FAEXTDCOJQOPPC-LBPRGKRZSA-N 336.819 4.474 0 40 EIAB Cc1cc(C(=O)COC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c(C)[nH]1 22410527 ALKZFSYHOHSHKQ-GOSISDBHSA-N 347.842 4.451 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)n1 27970498 ICPVJJBZJCNIDN-UHFFFAOYSA-N 345.446 4.141 0 40 EIAB CCOc1ncccc1CNC(=O)c1cc(C(C)C)nc2ccccc12 36393133 SZFJJAVJTUWQAZ-UHFFFAOYSA-N 349.434 4.082 0 40 EIAB Cc1ccc([C@@H](O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 36743846 IFBKTSMUHHSBHQ-UWJYYQICSA-N 349.478 4.093 0 40 EIAB O=C(CCC1CCCC1)Nc1cc(N2CCCC2=O)ccc1Cl 40090704 MSIWYQOJEUKGDR-UHFFFAOYSA-N 334.847 4.376 0 40 EIAB Fc1ccccc1CNc1ncnc2ccc(Br)cc12 41470828 RSSICJUPLMNFFN-UHFFFAOYSA-N 332.176 4.144 0 40 EIAB O=C(NCCC1=CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 44103385 ZXOBHGYCRHGVJN-UHFFFAOYSA-N 327.428 4.047 0 40 EIAB COc1cc(NC(=O)Nc2cccc(F)c2C)c(OC)cc1Cl 51354562 NPFAPVKGNPRBGQ-UHFFFAOYSA-N 338.766 4.449 0 40 EIAB COc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 57180476 FUFQBQPWRQHEQI-UHFFFAOYSA-N 345.826 4.036 0 40 EIAB CSc1nnc(COc2ccc(C(=O)c3ccccc3)cc2)s1 58381517 NDKSHKIZFKWERM-UHFFFAOYSA-N 342.445 4.070 0 40 EIAB O=C(CSCc1ccccc1F)Nc1ccc(F)c(Cl)c1 58685582 ABBYUGKKNCHRDS-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1 65033142 KRPBJMHTIOOONA-UHFFFAOYSA-N 325.339 4.048 0 40 EIAB Fc1cccc(Cl)c1Cc1nnc(SCc2ccccn2)o1 66257610 ZGKASJFVEGVYAA-UHFFFAOYSA-N 335.791 4.140 0 40 EIAB O=C(/C=C/c1cscn1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 69977501 RARGQXHACMDERH-GFOMBABLSA-N 337.448 4.391 0 40 EIAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc2ccccc2c1 76056565 TVQGSTZAPQIFKA-XFQAVAEZSA-N 336.479 4.137 0 40 EIAB Cc1ncc(C(=O)N(CC(C)C)CC(F)(F)F)c(Cl)c1Cl 89505450 OCDSKJICEGSPHT-UHFFFAOYSA-N 343.176 4.357 0 40 EIAB CCO[C@@H](C)c1noc(CN(C)Cc2cccc(Cl)c2Cl)n1 89984982 PFOMYVGQXNAUSL-JTQLQIEISA-N 344.242 4.106 0 40 EIAB C[C@H](N[C@@H](c1ccccc1)c1ccco1)c1ccc([S@@](C)=O)cc1 95419546 DUAPMYXHDMWETO-CCQPRUGESA-N 339.460 4.457 0 40 EIAB FC1(F)CCN(Cc2ccco2)C[C@]12CCN(c1ccccc1)C2 96051093 RIGYEYZIUGNFLB-SFHVURJKSA-N 332.394 4.017 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CCN3CCC[C@@H]3C2)cc1 97232000 MJNSRTOJKIISKU-IAGOWNOFSA-N 331.460 4.072 0 40 EIAB Cc1ccc(C2=C[C@H](c3cccc4ccccc34)n3nnnc3N2)cc1 103327055 LAQLLSIKNPDQAE-HXUWFJFHSA-N 339.402 4.191 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C 224452413 HHJRNVBXPBTTKQ-QGZVFWFLSA-N 325.452 4.430 0 40 EIAB CCSc1ccccc1C(=O)NCc1cccnc1-c1ccncc1 225748591 XMFBHBNWZUAODW-UHFFFAOYSA-N 349.459 4.186 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](CC(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 245238984 DGNCIMCPMIGWCU-OAGDKFAKSA-N 334.500 4.481 0 40 EIAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC(c2noc3cc(F)ccc23)CC1 247825918 JBBSLHAKQMXMML-HWWDLCQESA-N 342.414 4.109 0 40 EIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CCc1ccccc1 409212104 OXPYWMUQWUJNCJ-FOWTUZBSSA-N 327.380 4.105 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1cc(-c2ccco2)on1 585148434 LCMZQAUUAFAXHB-UHFFFAOYSA-N 334.331 4.125 0 40 EIAB Cc1ccc(OCC2(O)CCN(C3CCC(C)(C)CC3)CC2)cc1 585281956 VOJSHHJQHZNXCP-UHFFFAOYSA-N 331.500 4.170 0 40 EIAB COc1ccc2cc(C(=O)NC3(c4cccs4)CCCC3)[nH]c2c1 618254857 FTSWIGGTSDRIOV-UHFFFAOYSA-N 340.448 4.437 0 40 EIAB CCc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@@H]4C)n2n1 618256079 FGSZWJAHVQDKFM-ZDUSSCGKSA-N 335.455 4.360 0 40 EIAB CC1(C)CC[C@H](NC(=O)CCc2ccon2)[C@H](c2ccccc2)C1 634525616 ZLLLDBXJYPXHLX-ROUUACIJSA-N 326.440 4.086 0 40 EIAB Cc1c(-c2nc(-c3ccc(C(F)F)nc3)no2)oc2c1C(=O)CCC2 664958801 RVQJWCNBEPJKGM-UHFFFAOYSA-N 345.305 4.157 0 40 EIAB Cc1cc(C)n(-c2nc(-c3ccc(Br)cc3)cs2)n1 52805 KNKGKGLYQPJURD-UHFFFAOYSA-N 334.242 4.375 0 40 EIAB O=C(CSc1nnc(-c2ccco2)o1)c1cccc2ccccc12 71644 FJVWEWOTOJDFKW-UHFFFAOYSA-N 336.372 4.458 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(O)c1 79184 JBZKHWOFMWKVFO-UHFFFAOYSA-N 328.755 4.261 0 40 EIAB Cc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 411379 HRSRKJYJRQWNNE-UHFFFAOYSA-N 326.783 4.362 0 40 EIAB O=c1oc2ccccc2cc1-c1nnc(Nc2cccc(F)c2)s1 856271 IOHYPXPJWJJVKP-UHFFFAOYSA-N 339.351 4.194 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c1 2692788 AGMCLATYBCONML-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1occc1-c1nnc(SCc2nc3ccccc3s2)n1C 3432015 BGIZMKGUQNRJLK-UHFFFAOYSA-N 342.449 4.286 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc3ccccc23)cc1OC 3549089 OXRJXJBNQQUVMU-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB Cc1ccc(SCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 4303359 QKKFKVDYLMFGTC-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB O=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCC2 4891811 ZCTGNMCCXLYYCL-UHFFFAOYSA-N 334.444 4.229 0 40 EIAB COc1cc(C)c(NC(=O)Cc2coc3cc(C)ccc23)cc1OC 5616591 VIWRSDXRJIXFCB-UHFFFAOYSA-N 339.391 4.248 0 40 EIAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6478732 CZQOSQTZMJHXOL-GZTJUZNOSA-N 339.416 4.240 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 7130061 NGMXGAFKXUOONS-UHFFFAOYSA-N 345.370 4.044 0 40 EIAB CC(C)CC[C@@]1(CCNC2CCN(C)CC2)CCO[C@H](C(C)C)C1 8992493 UOPPJLUPPAPMDX-LEWJYISDSA-N 338.580 4.318 0 40 EIAB S=C(Cc1ccc(Br)cc1)NCCc1ccccc1 9188097 OASSZMKGESLIPS-UHFFFAOYSA-N 334.282 4.151 0 40 EIAB O=C(CSCc1ccccc1Cl)NCCCc1ccccc1 10110162 ATVBFRHIKVFDNB-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB Cc1cc(COc2ccc(Cl)cc2C(=O)Nc2ccccc2)no1 10280161 OUFMGUXCHSRDQT-UHFFFAOYSA-N 342.782 4.468 0 40 EIAB C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)c1ccccc1 11190986 WTYJWKCJHLULNG-LLVKDONJSA-N 343.429 4.300 0 40 EIAB COc1nc2cc(C)ccc2cc1CN(C)[C@@H](C)Cc1ccccn1 12148174 WPQULQIPSZNRHL-INIZCTEOSA-N 335.451 4.010 0 40 EIAB CCCCN(C)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 12743372 GFWHSYALNMQVSS-UHFFFAOYSA-N 340.427 4.144 0 40 EIAB O=C(c1ccco1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12795534 FADHYILHNIKTKJ-UHFFFAOYSA-N 338.432 4.462 0 40 EIAB O=C(CCSCc1ccccc1)NCCSc1ccccc1 13687925 MUQNPIVYAHVTGO-UHFFFAOYSA-N 331.506 4.218 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(F)c1 14085938 PBBAWMUKTYGXLX-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1 14291410 BMZXHAFBEIUSQA-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 16047219 YPYUVYAWFWKEDO-IBGZPJMESA-N 347.462 4.498 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(C(F)(F)F)cc1 16130129 ANZVPMHULXRRTD-ZHACJKMWSA-N 327.327 4.118 0 40 EIAB Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)nc(-c3ccccc3)c2c1 17968549 MPNKLIBDSNULSX-IYBDPMFKSA-N 333.435 4.219 0 40 EIAB CCOC(=O)c1cnc2ccc(Cl)cc2c1NCc1cccnc1 19897618 MJLBFCJVPUGLNA-UHFFFAOYSA-N 341.798 4.072 0 40 EIAB CCOc1ccccc1-c1noc(-c2c[nH]nc2-c2ccccc2)n1 23125440 CEZRUYVPIPBOBV-UHFFFAOYSA-N 332.363 4.192 0 40 EIAB CCc1c(C(=O)Nc2ccccc2O)cnn1-c1cccc(Cl)c1 24662054 XXUDMRUZHYGRGB-UHFFFAOYSA-N 341.798 4.046 0 40 EIAB O=C(Nc1cccc2c1CCCC2)c1cccc(Nc2ncccn2)c1 24860670 KFPGNYKENABMNW-UHFFFAOYSA-N 344.418 4.351 0 40 EIAB COc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 27662786 YXDFNHIIRTVISA-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 28043323 VYBSPEXXBNSDGV-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 28231168 RSQAWUBGDGUHSR-WOJBJXKFSA-N 345.446 4.290 0 40 EIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2ccc(F)cc2)o1 29330297 QCMVBUSYTGETLH-UHFFFAOYSA-N 349.365 4.234 0 40 EIAB Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2O)c1C1CC1 29763537 JDQQUGMHFPQWSZ-UHFFFAOYSA-N 333.391 4.016 0 40 EIAB CCC(=O)Nc1ccc(C(=O)CSc2cccc(OC)c2)cc1 31817402 CLHZXUXHXFOMRQ-UHFFFAOYSA-N 329.421 4.019 0 40 EIAB Fc1cccc(Cl)c1CNc1ccc(-c2nnnn2C2CC2)cc1 32770444 NYRCKVLGZCNFOB-UHFFFAOYSA-N 343.793 4.080 0 40 EIAB COC(=O)c1c(O)cccc1CCc1ccc(Cl)c(Cl)c1 35973648 ZHDYBKOOZREPSM-UHFFFAOYSA-N 325.191 4.271 0 40 EIAB Cc1sc2nc(S[C@@H](C)c3nc(C(C)C)no3)nc(N)c2c1C 43735032 OBBQNJIFDWDRHH-VIFPVBQESA-N 349.485 4.250 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 57757080 FVTFTBWXFPAWCK-WJDWOHSUSA-N 348.324 4.229 0 40 EIAB CC(C)CCO[C@@H](C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 57986723 VHAMECMBCCZDPF-HNNXBMFYSA-N 334.460 4.061 0 40 EIAB COc1cccc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)c1 58282222 RUDBOMUORPUAGQ-JOCHJYFZSA-N 328.355 4.163 0 40 EIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2nsnc2c1 59294441 BXMFBSZSPZVUGQ-UHFFFAOYSA-N 346.824 4.207 0 40 EIAB CNc1nc2c(s1)[C@H](c1cccc(OCC(C)C)c1)CC(O)=N2 61720448 RYHIBMGJNZVGJY-ZDUSSCGKSA-N 331.441 4.343 0 40 EIAB Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)Cc1cccs1 65476446 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Cc1cc(C)nc(Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)n1 170564466 ITPKRGGNDKUOJN-INIZCTEOSA-N 346.434 4.328 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219582028 UGJHMXZAIAGQAT-YJBOKZPZSA-N 329.415 4.477 0 40 EIAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1 224359419 DCRTUWFUXWVDQZ-UHFFFAOYSA-N 339.435 4.337 0 40 EIAB CCOc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225431815 LFSBCJQUMPIQLJ-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CCCO[C@]1(C(=O)Nc2ccc(OCCOC)cc2)CCC[C@H](C)C1 225664606 QXCGRROWXDLQRP-OXJNMPFZSA-N 349.471 4.026 0 40 EIAB Cc1cccc(CNC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 225914400 LXBFCJUQKWYFJZ-UHFFFAOYSA-N 346.434 4.075 0 40 EIAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CCC[C@@H]1c1ccc(Cl)cc1 226076890 NPRKYUDASVOQTF-KGLIPLIRSA-N 339.819 4.255 0 40 EIAB COc1ccc(-c2ccc(C(=O)Nc3ccccc3N)o2)cc1Cl 226348710 PCIYCVWOBLEJKO-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB CCn1nc(C)c2nc(C(C)C)nc(NCCc3ccccc3F)c21 226743791 VHFKVYOITHQAKC-UHFFFAOYSA-N 341.434 4.072 0 40 EIAB C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)CCC(F)(F)F 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CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccnc1Cl 3397240 XXIFPQNUKLUHPZ-GFCCVEGCSA-N 346.814 4.044 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1OCC 3434452 RWVJYUXCXSTLLS-CQSZACIVSA-N 328.412 4.367 0 40 EIAB CC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1)c1ccccc1 3628938 VCSLAJAFVDYRDD-SJORKVTESA-N 345.826 4.166 0 40 EIAB Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1 4469260 OLOZGDCEMCSSPZ-UHFFFAOYSA-N 346.459 4.028 0 40 EIAB NC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 5734409 DOVIBCPHDNLZGU-CWWQYYKHSA-N 331.419 4.362 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1C 5755938 UJDAQKDLBREAEZ-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Cl)c1OCC 6207226 PZHAQLYOADBJLP-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)cc1C 6635093 OEEYENBZJIYOBB-ZDUSSCGKSA-N 331.799 4.088 0 40 EIAB c1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)[nH]n3)n2)nc1 7424910 UEWXMZBBKLBAMH-UHFFFAOYSA-N 339.358 4.342 0 40 EIAB COc1ccc(CN(C2CC2)[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 7662267 AHRACTHGAOYJCC-HNNXBMFYSA-N 348.446 4.412 0 40 EIAB Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)c2ccccc2n1 8264274 WBVUEWUVNAXYCE-UHFFFAOYSA-N 347.443 4.425 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccccc1F 8347230 KLSBUHMBZXGLCI-GFCCVEGCSA-N 328.412 4.198 0 40 EIAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3ccccc3)c2C1 8570260 NFYKGZCLJSYGFP-OAHLLOKOSA-N 332.403 4.102 0 40 EIAB COc1cc2ccccc2cc1C(=O)OCc1cn2cc(C)ccc2n1 9913008 ABFQVQXJKAFSQF-UHFFFAOYSA-N 346.386 4.162 0 40 EIAB COc1ccc(-c2nnc(CN[C@H](c3ccc(C)cc3)C3CC3)o2)cc1 9954659 FUXWOADPMVCNDD-HXUWFJFHSA-N 349.434 4.295 0 40 EIAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccn2)c1 10215375 CLCKHSGCPXWGSY-FPOVZHCZSA-N 343.386 4.030 0 40 EIAB CSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 11744029 JIWGCKSIIZRFBS-UHFFFAOYSA-N 340.448 4.096 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1ccc(-c2nccs2)cc1 12614893 WCTZTRXNXSEMEX-UHFFFAOYSA-N 342.445 4.473 0 40 EIAB O=C(Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1)[C@@H]1CCCO1 12815809 HAIPTMVIWISWLS-ZDUSSCGKSA-N 348.811 4.327 0 40 EIAB CN(C(=O)COc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 12865958 FUZVQTUWZCXREW-INIZCTEOSA-N 333.790 4.004 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 12905813 BKSKYJLWHXHNLI-LBPRGKRZSA-N 342.826 4.180 0 40 EIAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1ccc(Cl)cc1Cl 13250353 LZNSOEVYCMQQFY-LBPRGKRZSA-N 338.190 4.190 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1OCC 13668298 PMEBEDCJGSQQBI-HNNXBMFYSA-N 327.424 4.283 0 40 EIAB CC(C)c1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1 14136837 ZOLGZZVOIPFHPT-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB COc1ccccc1CCNC(=O)c1sccc1-c1ccccc1 15536730 FWLMJSACZAIMRH-UHFFFAOYSA-N 337.444 4.396 0 40 EIAB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCO)c1 16739868 BZOWIIZWCINRPU-ZZEZOPTASA-N 344.867 4.403 0 40 EIAB CCC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 22623687 PFVJIODFSGCADG-MAUKXSAKSA-N 346.515 4.043 0 40 EIAB Cc1c(C)n(C[C@H](O)CN[C@H]2CCCC[C@@H]2C)c2c(Cl)cccc12 28296754 ZBMWXQGMDJSFMW-CRFBAAHOSA-N 348.918 4.441 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)NC1CCC(C(F)(F)F)CC1 29319717 MGQSKSUIORRIHT-IUDNXUCKSA-N 342.405 4.428 0 40 EIAB NC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)c2cccnc12 31653760 HBRHATASAQYGLA-UHFFFAOYSA-N 347.201 4.220 0 40 EIAB CCCCOc1ccc(C(=O)NCOc2ccccc2Cl)cc1 32109746 CRBSNMRIUNLFQT-UHFFFAOYSA-N 333.815 4.285 0 40 EIAB Cc1ccc(C)c(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 32170985 NDJYXCSCPXKVBE-GZTJUZNOSA-N 338.432 4.409 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2)c2c(-c3ccccc3)noc2n1 36617350 GBWIRBWVSIEOBY-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CC1(C)CC(N(Cc2cccnc2)Cc2ccsc2)CC(C)(C)N1 36740529 BJERVKKZVKECNM-UHFFFAOYSA-N 343.540 4.455 0 40 EIAB C[C@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(-n2ccnc2)cc1 40038941 CZTYEOBHFDIJQX-DLBZAZTESA-N 348.450 4.336 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 40117432 GZMRUQKGJBIENQ-IBGZPJMESA-N 330.403 4.021 0 40 EIAB Cc1cc(N)cc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 45890463 FENVFXIKNDKMHN-UHFFFAOYSA-N 332.831 4.335 0 40 EIAB O=C(CCc1ccsc1)Nc1ccc(Sc2nncs2)cc1 47407767 SPOKCHBOJQOHDN-UHFFFAOYSA-N 347.490 4.322 0 40 EIAB O=C(Nc1ccccc1OC(F)F)N1CCC[C@@H](C(F)(F)F)C1 65576018 PZDCFJSHXVIGPX-SECBINFHSA-N 338.276 4.094 0 40 EIAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2oc(=O)ccc2c1 67719324 MYFMPNHOAZKRMQ-LLVKDONJSA-N 340.404 4.006 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cc(C(C)(C)C)on1 69539597 ARGXOWOKJWJUIW-UHFFFAOYSA-N 329.375 4.082 0 40 EIAB C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)c1cc(F)ccc1F 69623599 IPPLZUPOWGIPRC-MRVPVSSYSA-N 326.368 4.009 0 40 EIAB Cc1sc(NC(=O)CN(C)[C@H](C)c2cccc(O)c2)c(C)c1C 72305158 AXIDNIXTMXECPX-CYBMUJFWSA-N 332.469 4.010 0 40 EIAB CC1=C[C@@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 72320818 PSIVVTJCLRXXKB-BZSNNMDCSA-N 340.515 4.353 0 40 EIAB biogenic,in-vitro Fc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2cccnc2)C1 72358574 CCPRSXXWEDPAIV-KRWDZBQOSA-N 348.425 4.057 0 40 EIAB CCCN(C(=O)c1ccncc1Cl)[C@H]1CCc2ccccc2C1 73050690 DDMZIZQIMVEKER-INIZCTEOSA-N 328.843 4.145 0 40 EIAB Cc1nc(-c2cccc(C(=O)N(C(C)C)C3CCOCC3)c2)cs1 74957583 YTJDBNULFKQMCH-UHFFFAOYSA-N 344.480 4.148 0 40 EIAB c1ccc(-c2cc3c(N4CCO[C@@H]5CCC[C@@H]54)ncnc3s2)cc1 75103521 KIJFFUDOOALQJH-JKSUJKDBSA-N 337.448 4.116 0 40 EIAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2cccs2)C1 75165877 CKLXUCIFHRVCAK-GJZGRUSLSA-N 344.436 4.038 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 84008399 HHNWTMAHHKVWEN-UHFFFAOYSA-N 325.334 4.352 0 40 EIAB O=C(NCCCc1ccc(Cl)c(Cl)c1)N1CCCSCC1 84341260 SNBVGNYVRSMDPJ-UHFFFAOYSA-N 347.311 4.075 0 40 EIAB C1=C([C@H]2CCCC[C@H]2NCCc2nnc(-c3ccco3)[nH]2)CCCC1 89672841 LKEVLVPXNHSYAR-IAGOWNOFSA-N 340.471 4.256 0 40 EIAB CCc1cnc(CNC(=O)Nc2scnc2-c2ccccc2)s1 95460741 FNAFMFPIZKAVDF-UHFFFAOYSA-N 344.465 4.151 0 40 EIAB O=C(Nc1cccnc1SCc1ccccn1)C1CCCCC1 96231221 ZGBSQDJRPFFMEA-UHFFFAOYSA-N 327.453 4.288 0 40 EIAB O=C(CC1=CCCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 96409364 IWYFDLMXZHPYHY-UHFFFAOYSA-N 329.284 4.220 0 40 EIAB COc1cccc2cc([C@@H](C)N[C@H](C)Cc3c(C)noc3C)oc12 96493403 RMBHCHRJRQYDGM-DGCLKSJQSA-N 328.412 4.328 0 40 EIAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1 100423996 JMEJAVCGRBYYLP-ROUUACIJSA-N 343.540 4.138 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 113970197 FBKOVHYIDJAYGL-GOSISDBHSA-N 327.424 4.498 0 40 EIAB CCOC(=O)c1cc(Cl)ccc1-c1cc2ccccc2oc1=O 216935959 YBVFKKOOMBRVNM-UHFFFAOYSA-N 328.751 4.290 0 40 EIAB CNc1ccc(-c2cc3ccccc3oc2=O)c(Br)c1 216939064 BATPAWSCDVXZKI-UHFFFAOYSA-N 330.181 4.264 0 40 EIAB CC[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 223076012 JZQHFUGBTXNLJQ-HXUWFJFHSA-N 343.492 4.136 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1C 224257212 UZDFCFGUOYMZFW-RBUKOAKNSA-N 348.475 4.204 0 40 EIAB COc1ccc(OC[C@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 225263769 PNZUHIQDYLHHGW-HNNXBMFYSA-N 344.480 4.066 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226041653 AMQUZHSNVKLLDT-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB COc1cccc2cc(C(=O)Nc3cc(C(=O)O)ccc3Cl)oc12 408567021 CFGRINFITAZKDZ-UHFFFAOYSA-N 345.738 4.045 0 40 EIAB Clc1ccc(Br)cc1CSCCn1ccnc1 534132026 LRSHZPFJRPHBNH-UHFFFAOYSA-N 331.666 4.232 0 40 EIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c12 606203789 QBHRXQORSZPRAI-JLJPHGGASA-N 347.418 4.117 0 40 EIAB CC[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1F 606235167 UUOLACFXEBEJED-AWEZNQCLSA-N 341.304 4.447 0 40 EIAB CC1=Nc2ccccc2C12CCN(C(=O)[C@@H](C)c1cccc(O)c1)CC2 823806011 TYSKMDXFJODKGF-HNNXBMFYSA-N 348.446 4.162 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 103539 VXUUFHCLKCQMDX-UHFFFAOYSA-N 344.267 4.420 0 40 EIAB CC(C)=Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N)n1 408489 SYEDFNUNTVRQIW-UHFFFAOYSA-N 337.210 4.041 0 40 EIAB CNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 538434 IMSDSNXECPXONC-UHFFFAOYSA-N 339.782 4.487 0 40 EIAB Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 573715 VIVCDAZKJCYKSV-UHFFFAOYSA-N 346.430 4.490 0 40 EIAB FC(F)(F)c1nc2c(Br)ccc(Br)c2[nH]1 822464 DYLHVMDRWJVLSN-UHFFFAOYSA-N 343.928 4.107 0 40 EIAB COc1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1 1439968 TZAMEEKWDQYUQF-UHFFFAOYSA-N 341.436 4.065 0 40 EIAB CCc1ccccc1N1COc2ccc3c(CC)cc(=O)oc3c2C1 2120110 NGLQTDBRSCHEFG-UHFFFAOYSA-N 335.403 4.274 0 40 EIAB biogenic O=C(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)Oc1ccccc1 2153209 MLSFJZPDNKKTFK-UHFFFAOYSA-N 347.239 4.196 0 40 EIAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CCCC1 2762967 OTWBBXBWYNRKFX-UHFFFAOYSA-N 347.411 4.470 0 40 EIAB CCOc1cc(C(=O)Nc2cc(C)ccc2F)ccc1OC(F)F 2794748 LGWZNXZSTPBVRV-UHFFFAOYSA-N 339.313 4.387 0 40 EIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Br)o1 3361198 DGNZRJWYJTZTTD-UHFFFAOYSA-N 349.011 4.279 0 40 EIAB COc1ccc(Br)cc1C(=O)Nc1c(C)cccc1C 4689116 XYDKQCADRDKDIB-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(C)c1 4741193 CIQQYEVYHVRXHU-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB COCc1c(C(=O)Nc2cc(Cl)ccc2OC)oc2ccccc12 5575681 CFSVGQPCJGAIBQ-UHFFFAOYSA-N 345.782 4.494 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F 5862059 XWSXRWOFKLVRPU-MRVPVSSYSA-N 329.705 4.163 0 40 EIAB Cc1ccc(C)c(-n2cnn(CN(C)Cc3ccccc3)c2=S)c1 6986016 AEBMQSYZGMJYGM-UHFFFAOYSA-N 338.480 4.110 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 7405597 MEMXPFVVIDOJHO-UHFFFAOYSA-N 327.808 4.403 0 40 EIAB Cc1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 7976949 YLMDVBQONFHNQR-UHFFFAOYSA-N 348.450 4.128 0 40 EIAB CCc1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 8339299 SALARSLAGPASAQ-UHFFFAOYSA-N 334.832 4.160 0 40 EIAB C[C@@H]1Sc2ccc(C(=O)OCc3ccccc3Cl)cc2NC1=O 8716466 CUNIWPLMBQKIQP-JTQLQIEISA-N 347.823 4.130 0 40 EIAB CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cc(C)on1 9114766 CEXIWUGQSVJIRG-AWEZNQCLSA-N 327.409 4.041 0 40 EIAB O=C(NCC1CCCCC1)c1ccc(Cn2cnc3ccccc32)cc1 9115189 SPSADSIDNWFGSU-UHFFFAOYSA-N 347.462 4.395 0 40 EIAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1CCCO1 9691444 MFVGAYLUOFBFGY-INIZCTEOSA-N 338.432 4.005 0 40 EIAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc(Cl)s1 9828021 YDJWGXIRVMJKIM-UHFFFAOYSA-N 345.767 4.450 0 40 EIAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(-n2ccnc2)cc1 9914213 LHWVLCBYPNXAKK-GFCCVEGCSA-N 343.789 4.156 0 40 EIAB CCCCOc1ccccc1CN1C(=O)C(=O)c2cc(C)cc(C)c21 11692650 JNBUEVOOOKJBBE-UHFFFAOYSA-N 337.419 4.212 0 40 EIAB COc1cccc2c1O[C@H](C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 11851598 OVYZWXVFOUTKAI-BDJLRTHQSA-N 328.799 4.238 0 40 EIAB CCCc1noc([C@@H](C)Sc2ncc(-c3ccccc3)n2C)n1 12525264 UIDZXEGDFMUTDS-GFCCVEGCSA-N 328.441 4.276 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cc(C)ccn2)cc1OC 12528034 LATDJTZETHFMRV-UHFFFAOYSA-N 334.803 4.093 0 40 EIAB O=C(c1cc2ccccc2s1)N1CCN(c2ccccc2F)CC1 12534085 RADWVUFNDKYHHD-UHFFFAOYSA-N 340.423 4.003 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)Nc3ccncc3)cc2s1 13729521 CNBWBAXHUBVEOJ-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1ccccc1OCC(F)(F)F 14127671 IFUOKBMAIHGBHU-UHFFFAOYSA-N 343.732 4.462 0 40 EIAB O=c1c2ccccc2nc(O)n1-c1ccccc1Sc1ccccc1 15424780 FZMZMLQMQVEUMY-UHFFFAOYSA-N 346.411 4.243 0 40 EIAB CCn1c(SCCOc2ccccc2OC)nc2ccccc21 15833319 MHHJDAZRYWONQB-UHFFFAOYSA-N 328.437 4.236 0 40 EIAB CCOc1ccc(Nc2ncccc2C(=O)N2CCC[C@H](C)C2)cc1 16642414 UUTRFEGSZZFMQK-HNNXBMFYSA-N 339.439 4.096 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(OC)cc1 20108459 VRROQBGHKDZNDD-DYVFJYSZSA-N 347.842 4.383 0 40 EIAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccc(F)cc1 22072822 UANODNQDUIEIMS-UHFFFAOYSA-N 325.318 4.356 0 40 EIAB Cc1cc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)[nH]1 23446600 XNIQOHPCAMCAAI-UHFFFAOYSA-N 333.387 4.124 0 40 EIAB Cc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222444 BXVVJLNDJWFHCA-OAQYLSRUSA-N 331.463 4.407 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(C2CC2)s1 28250424 RVDVFURWSDVVJH-LLVKDONJSA-N 345.468 4.119 0 40 EIAB C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 30117320 PVDJSQYYDZYRPV-NSHDSACASA-N 325.305 4.264 0 40 EIAB O=C(Nc1ccc2c(c1)CCO2)c1ccccc1C(=O)c1ccccc1 30371885 RNRTYEIEQKHORZ-UHFFFAOYSA-N 343.382 4.105 0 40 EIAB CCc1ccccc1NC(=O)CNCCSc1ccc(C)c(C)c1 32679565 GUKKRHKKAKCHCY-UHFFFAOYSA-N 342.508 4.186 0 40 EIAB Cc1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C 32930562 HQBWXEFCKATCRE-UHFFFAOYSA-N 332.403 4.421 0 40 EIAB CN(C(=O)c1cc(Cl)c(Cl)n1C)[C@H]1CCCc2ccccc21 32968983 DQBQWBQDLZCDSR-AWEZNQCLSA-N 337.250 4.482 0 40 EIAB C[C@H](NC(=O)CCc1cccs1)c1cccc(OC(F)F)c1 36392768 VULWBPKJVIAYHL-NSHDSACASA-N 325.380 4.160 0 40 EIAB C[C@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccc(Cl)c1 44087142 PRAJCBLUZWLEFB-NSHDSACASA-N 342.786 4.273 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@H](c1cccs1)C1CCCC1 48313954 DFEZRERKTNYUPY-KRWDZBQOSA-N 347.484 4.426 0 40 EIAB CCn1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2N(C)C)c2ccccc21 57773706 PLODZXGPMMCGDN-JTHBVZDNSA-N 347.506 4.191 0 40 EIAB O=C(c1cccc2ccccc12)N1CC=C(c2ccc(O)cc2)CC1 57839987 DLYCHWPLGQPYOV-UHFFFAOYSA-N 329.399 4.475 0 40 EIAB COc1cccc(-c2csc(Cc3cn4cccc(C)c4n3)n2)c1 58203008 MVUUPDZUKVRLRZ-UHFFFAOYSA-N 335.432 4.366 0 40 EIAB COc1ccc(C2(C(=O)OCc3ccccn3)CCCCC2)cc1 62302297 UYACBGIRDSXZBP-UHFFFAOYSA-N 325.408 4.036 0 40 EIAB O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1O 65552495 BNMCHERZFVPRRO-UHFFFAOYSA-N 333.387 4.137 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1nccs1 69595215 DCUOLTXLKFUFAV-LJQANCHMSA-N 347.443 4.073 0 40 EIAB O=C(NCc1ccncc1)N1CCc2sccc2[C@H]1c1ccccc1 69707656 XAKJWEGNSUINRM-LJQANCHMSA-N 349.459 4.000 0 40 EIAB CC(C)(C)OC(=O)Nc1cc(NC(=O)NCc2ccoc2)ccc1F 69845314 HZIDYLQFBYSFQE-UHFFFAOYSA-N 349.362 4.087 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(O)=Nc2c1cnn2C(C)C 71281415 ALWAXHPDWYBNFZ-MRXNPFEDSA-N 349.438 4.390 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3sc(NN)nc3c2)cc1 72229808 QYWIOHLYDNOATP-UHFFFAOYSA-N 340.452 4.132 0 40 EIAB CC(=O)Nc1ccc(CC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)cc1 72274664 YXXPIWLWFLNMRK-INIZCTEOSA-N 338.451 4.024 0 40 EIAB N#CCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 72590080 AUDRGXBHHMWDCF-UHFFFAOYSA-N 335.285 4.252 0 40 EIAB CSc1cccc(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c1 76059473 ZSLKFMYYBQMBQM-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB CCO[C@@H](CCNC(=O)CSc1ccc2ccccc2c1)C(C)C 76092846 PQGDQSPYDUGIGO-IBGZPJMESA-N 345.508 4.499 0 40 EIAB COc1ccc(-c2cc(Cl)nc(-c3cccc(OC)c3)n2)cc1 78401282 SZZCBXFZFSITNX-UHFFFAOYSA-N 326.783 4.481 0 40 EIAB Cc1nc(N2CCC[C@H]2c2ncc[nH]2)c2c(CC(C)C)csc2n1 95467581 HZQCZZOHXQRYDB-AWEZNQCLSA-N 341.484 4.263 0 40 EIAB C[C@H]1C[C@@H](OC[C@H](O)CNC(C)(C)CC(C)(C)C)CC(C)(C)C1 95532682 ZCGOSUPULPBKSS-GVDBMIGSSA-N 327.553 4.383 0 40 EIAB CC(C)(C)C[C@H](NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F 95994607 XWEUFOJVCVFHJT-LBPRGKRZSA-N 337.769 4.071 0 40 EIAB COc1c(Cl)cc(NC(=O)N(C)Cc2nccs2)cc1Cl 96445950 JBOLMRDTAYSANA-UHFFFAOYSA-N 346.239 4.122 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(OC(C)C)c1 113960264 QVGRUIBXLQDDIP-SFHVURJKSA-N 345.414 4.087 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c(Cl)c1 191158892 PCNGSESHPPWRKF-UHFFFAOYSA-N 344.842 4.287 0 40 EIAB O=C(CCc1cccc(C(F)(F)F)c1F)c1ccc2c(c1)OCO2 199736698 BXXGRIDJUTUMPK-UHFFFAOYSA-N 340.272 4.389 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1Cc1cccc(Br)c1 216946618 YENYBQUVOUMJJW-UHFFFAOYSA-N 344.208 4.459 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1C 223572792 STVZUIHSJCTSMY-QGZVFWFLSA-N 325.452 4.430 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2cc(C)ccc2C)c1 224086064 LOLYZEDZBYAYDH-UHFFFAOYSA-N 325.452 4.123 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1C 225057247 ANJGLDZWCISHNE-UHFFFAOYSA-N 349.789 4.145 0 40 EIAB CCCNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 225427739 ADIPRSRNWRCVIL-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl 226287413 SHTUXEIUBANSRZ-UHFFFAOYSA-N 328.799 4.239 0 40 EIAB Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)cc2s1 226310382 OHLWKPKONBIDAR-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 253499604 LDIFWCUQQYZOLG-WCRARRDBSA-N 346.511 4.020 0 40 EIAB biogenic Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 257316674 VGNPDAKVZLTTMP-IBGZPJMESA-N 349.478 4.348 0 40 EIAB C[C@H](NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F 585080293 ZCCQMCYCLXWIEG-ZDUSSCGKSA-N 332.444 4.362 0 40 EIAB O=C(c1ccnc(-c2ccco2)c1)N1CCCCC[C@H]1c1ccncc1 1119701708 WGCADEOFKIKZOP-IBGZPJMESA-N 347.418 4.494 0 40 EIAB C[C@@]1(c2ccccc2)CCCN(Cc2cnc(O)c3ccccc23)C1 1559534523 OTYPJZYBMJHSFS-JOCHJYFZSA-N 332.447 4.494 0 40 EIAB Cc1ccccc1C(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1 1585507231 IIDKRMCWNYAWAD-UHFFFAOYSA-N 345.324 4.452 0 40 EIAB Brc1cccc(CSc2nnc(-c3ccco3)o2)c1 51632 UVILBAZLNVPFFD-UHFFFAOYSA-N 337.198 4.384 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)o1 181831 URVVJKOGOVYSEG-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 532188 RNQTZPAQVZWKCY-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(F)cc3)cc12 547381 SLDHILDLXWJUBX-UHFFFAOYSA-N 342.322 4.276 0 40 EIAB biogenic CCSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 553628 NJXZUTMQWQHESG-UHFFFAOYSA-N 326.512 4.377 0 40 EIAB O=S(=O)(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1 1398422 MFIVQTUDYARTGP-CMDGGOBGSA-N 342.247 4.084 0 40 EIAB Cc1c([C@@H](C)OC(=O)Nc2cccc(Cl)c2)sc2ncnn12 1404963 WZEXJASVGJIFHC-SECBINFHSA-N 336.804 4.062 0 40 EIAB COC(=O)c1ccc(-c2nc(-c3cc(C)nc4ccccc34)no2)cc1 1426774 GYMODWOEEVKNRQ-UHFFFAOYSA-N 345.358 4.047 0 40 EIAB CCCCCCc1cc(C(=O)Cc2csc(C)n2)c(O)cc1O 2090834 WXOSGIWLDYRECI-UHFFFAOYSA-N 333.453 4.411 0 40 EIAB biogenic Cc1ccsc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3315422 YXIPQTKSHNWFRA-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB Fc1ccccc1CSc1nnc2ccc(-c3cccs3)nn12 4376847 ZKXYMJKAMJLQCJ-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB CCOC(=O)c1c(CSc2ccccn2)oc2ccc(OC)cc12 4709202 DLHMUQDDXGIFDF-UHFFFAOYSA-N 343.404 4.305 0 40 EIAB O=c1c2cc(Cl)ccc2ncn1Cc1ccccc1C(F)(F)F 5084756 VOZOOBGYWPXIRM-UHFFFAOYSA-N 338.716 4.117 0 40 EIAB O=C(CSc1nc2ccccc2s1)c1ccc2c(c1)OCO2 5629173 VOWLHNQSNOSJSV-UHFFFAOYSA-N 329.402 4.000 0 40 EIAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 7683478 XLFYDFLVPDXWPV-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB Fc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1 8079112 QKSMYGGENJBYJW-ZDUSSCGKSA-N 329.400 4.088 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1cccnc1 8174877 KKVWCNKPTXYARL-ZDUSSCGKSA-N 340.810 4.144 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H]1c1cccs1 8428288 KNOLGUAFXBNILG-ZDUSSCGKSA-N 349.839 4.150 0 40 EIAB C[C@@H](Sc1ccccn1)C(=O)NC(c1ccccc1)c1ccccc1 8704845 KSIISYITDQUPOK-MRXNPFEDSA-N 348.471 4.468 0 40 EIAB Cc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 8734251 FEGJUNIACLYWIZ-UHFFFAOYSA-N 349.409 4.369 0 40 EIAB COc1c(C)cccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 9142052 HHNNGMFAVCYLQM-LFPRZYRFSA-N 327.468 4.338 0 40 EIAB CCSc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1 10252434 FPNUWCRZDVGMQN-UHFFFAOYSA-N 332.494 4.315 0 40 EIAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1 12137773 OSWFJKRSRRMHFF-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1 12743117 SGVQNUIBOBISNN-NSHDSACASA-N 342.386 4.226 0 40 EIAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 12862245 AFTCZMDVYJXYRJ-XJKSGUPXSA-N 348.899 4.243 0 40 EIAB NC(=O)c1ccccc1Oc1nc(-c2ccccc2)c2ccccc2n1 12908558 XKMHQIHHXHBVJG-UHFFFAOYSA-N 341.370 4.188 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c2c(C)noc2n1 12926746 WVFGIHVYLYKMFG-NSHDSACASA-N 335.363 4.077 0 40 EIAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C 13647247 FFPLFTVKWFVODO-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB Cc1ccc(NC(=S)Nc2cccc(-c3nnc(S)o3)c2)cc1 13687972 BXXNTWSGWJSPJC-UHFFFAOYSA-N 342.449 4.143 0 40 EIAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl 16046731 YCOZMHIEVHOUNZ-LLVKDONJSA-N 327.767 4.100 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(N(C)C)cc1 16597315 ZUCFOSOTEGNEKM-UHFFFAOYSA-N 337.448 4.437 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](c1cccs1)C2 17066752 UCNIIZIFBLBHBR-GFCCVEGCSA-N 326.396 4.294 0 40 EIAB COc1ccc(OC)c(CN2CCCCC[C@@H]2c2cc(C)no2)c1 19120232 PWUVLLMKVCZKJN-QGZVFWFLSA-N 330.428 4.118 0 40 EIAB Cc1ccc(-c2nnc(CNC(=O)c3cccc4ccccc34)o2)s1 19217951 VWKBPRPWQTVMQQ-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB C[C@@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)c1ccccc1 19459182 VUHCTUCOXUNABM-CRAIPNDOSA-N 333.435 4.073 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccs1 23436538 PMRZRXVCVFKHFO-ZDUSSCGKSA-N 327.449 4.077 0 40 EIAB O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1Cl 23889605 KLSYWKIVONBWME-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)on1 24878045 IKLQCUACWFIEKZ-IBGZPJMESA-N 332.359 4.249 0 40 EIAB CCSc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 30751850 RHZAEQUSFHPIMW-UHFFFAOYSA-N 347.436 4.077 0 40 EIAB O=S(=O)(NCCC1CCCC1)c1ccc2oc3ccccc3c2c1 32109868 YIMDLRYVCNUFOB-UHFFFAOYSA-N 343.448 4.445 0 40 EIAB CC1(C)C[C@H](N[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 32124142 UNXPLMJNVBBABN-XLIONFOSSA-N 339.435 4.052 0 40 EIAB biogenic O=c1cc(COc2ccc(F)cc2F)c2cc3c(cc2o1)CCC3 32672227 OYWSDVXRDMVFKJ-UHFFFAOYSA-N 328.314 4.139 0 40 EIAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(Cl)c1Cl 32931274 JUSWHZMTRCQHPV-RISCZKNCSA-N 330.255 4.319 0 40 EIAB C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccn1 37117653 BXJOICZHLZEIEJ-SNVBAGLBSA-N 326.343 4.185 0 40 EIAB CCc1c(C(=O)Nc2cccc3cccnc23)cnn1-c1ccccc1 40069613 QNMPJHBWZHHAOH-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB CCOc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1Cl 40308038 CTXWYSJDNMIDSS-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1 48149915 FNEKRERKHZWUEL-LLVKDONJSA-N 346.843 4.470 0 40 EIAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)nn1C(C)(C)C 55364640 LEGKBXSHVBWCRW-GOSISDBHSA-N 340.471 4.099 0 40 EIAB COc1ccc(N(C)C(=O)c2cc3c(ccc4ccccc43)[nH]2)cn1 58270280 PQOALHQRQNGCDG-UHFFFAOYSA-N 331.375 4.001 0 40 EIAB Cc1ccc(F)cc1NC(=O)NCCc1coc(-c2ccccc2)n1 58313696 BHUHMWPPJCCSAZ-UHFFFAOYSA-N 339.370 4.153 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1C 64982574 VLCZYRGKDGOLTI-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB CC(C)c1nc(CC(=O)N2CCCc3cc(F)c(F)cc32)cs1 65479866 SUUVCAXPCAYUAI-UHFFFAOYSA-N 336.407 4.067 0 40 EIAB CCC[C@@H](NC(=O)c1csnn1)c1ccc(Cl)c(Cl)c1 69507702 UOEWFDNXERSMRR-LLVKDONJSA-N 330.240 4.116 0 40 EIAB O=C(NCc1ccccn1)c1cc2cc(C(F)(F)F)ccc2s1 72405706 WOSDKAFCRDZBKU-UHFFFAOYSA-N 336.338 4.245 0 40 EIAB C[C@H](NCc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 73984412 BUYZEEOZKOGDTF-JTQLQIEISA-N 327.350 4.237 0 40 EIAB CC(C)[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccncc1 86398550 BDQOMXVHPGSWAL-KDOFPFPSSA-N 327.428 4.307 0 40 EIAB CCc1ccc(C(=O)c2ccc(NCc3nnsc3Cl)cc2)o1 89118503 WHUFOWCJDOHKSK-UHFFFAOYSA-N 347.827 4.190 0 40 EIAB CCC[C@]1(C(F)(F)F)CCCN1C(=O)[C@H](C)Oc1ccccc1 89949916 MIRZNFXNRJKJHQ-XJKSGUPXSA-N 329.362 4.178 0 40 EIAB CSc1ccc(NCc2nnc(-c3cccc(F)c3)o2)cc1F 95414886 SUTWFTBPNCEAPQ-UHFFFAOYSA-N 333.363 4.349 0 40 EIAB Clc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)c(Cl)c1 100835126 BPVDODLDYWEWQW-ZDUSSCGKSA-N 333.178 4.234 0 40 EIAB CN(C)[C@@H](CC(=O)C[C@@H](c1cccs1)N(C)C)c1cccs1 104830327 UVFYSKQUMURGMT-GJZGRUSLSA-N 336.526 4.065 0 40 EIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@@H]1[C@@H]2C 105366072 ABFSDSQOZYJGJO-NQHUSQPMSA-N 347.455 4.320 0 40 EIAB biogenic C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 194429730 SXRANUOJLBQLQR-PRWKNARSSA-N 327.902 4.332 0 40 EIAB S=C(Nc1nc(Cl)cc(Oc2ccccc2)n1)NC1CCCC1 226007397 KMKRQJQXJCYDGN-UHFFFAOYSA-N 348.859 4.151 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1N 226347522 MNAPZIDAOGARSD-UHFFFAOYSA-N 326.783 4.336 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(Cl)c1 408705344 CPYSCWNBXCOJSH-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 409018807 ZIMQMATVAFZPHJ-PILJQMSFSA-N 344.411 4.451 0 40 EIAB COc1ccc(-n2c(C)nnc2SCc2ccc(F)cc2)cc1 409103526 ADPYAXVPCQQMLV-UHFFFAOYSA-N 329.400 4.016 0 40 EIAB O=C(NCc1ccccc1)N[C@@H](COc1ccccc1)c1ccccc1 519384336 NRYFXWCDNJWMCB-NRFANRHFSA-N 346.430 4.306 0 40 EIAB CCCC(C)(C)N(Cc1cccs1)C(=O)c1noc2c1COCC2 527610991 HMRBRWXQRLBORR-UHFFFAOYSA-N 348.468 4.030 0 40 EIAB CC(C)Oc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1 164989 UOLTUWMWGYUWMW-UHFFFAOYSA-N 325.195 4.428 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 188288 WQEMMKHHGDHXNP-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@@H]1C2 352936 ARZVELAWNXFNEU-JDNHERCYSA-N 326.223 4.327 0 40 EIAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1 1468061 MHHNYODQDGIPNA-UHFFFAOYSA-N 349.868 4.172 0 40 EIAB O=C(O[C@H]1CCCCC1=O)c1c2c(nc3ccccc13)CCCCC2 3375027 GRPKOJICCFFJCE-IBGZPJMESA-N 337.419 4.172 0 40 EIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cccc(F)c2)c1 4120314 IWPFEWCWNIRNTA-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2Br)C1=O 4472198 HCLQPLZZNDNEBQ-KWINOFQJSA-N 340.242 4.284 0 40 EIAB CN1CC=C(/C=C/c2cccn2CCOc2ccc(Cl)cc2)CC1 5002425 UVXREQJKJVVOJI-QPJJXVBHSA-N 342.870 4.496 0 40 EIAB CC(C)(C)c1ccc(OCc2nn3c(C(C)(C)C)nnc3s2)cc1 5015451 IRBBHWDQVAQKLJ-UHFFFAOYSA-N 344.484 4.360 0 40 EIAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl 5568236 WJQSCJUDCZCHIJ-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 5602593 GLZOFNSSQBZPAL-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 5848593 CTQANCFRSZXKJG-UHFFFAOYSA-N 345.855 4.436 0 40 EIAB O=C(COc1ccccc1F)NC(c1ccccc1)c1ccccc1 5860611 GSISFOZQCJBKGE-UHFFFAOYSA-N 335.378 4.110 0 40 EIAB Cc1cccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6430052 HVRWEGMOMNUXMW-UHFFFAOYSA-N 341.451 4.083 0 40 EIAB Cc1nc2ccc(Br)cc2c(O)c1CN1CCCC[C@H]1C 8714156 QRMPNUKJYQKALC-LLVKDONJSA-N 349.272 4.386 0 40 EIAB CCOc1cccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)c1 9141945 RHTODYRSAKJBCL-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB O=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccc(Cl)cc1 9646494 RANDUKGWXDHBME-UHFFFAOYSA-N 344.581 4.082 0 40 EIAB CCC[C@@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 10148691 AENNHGFGLAPSTI-GFCCVEGCSA-N 325.368 4.371 0 40 EIAB COc1ccc2cc(CNC(=O)NCc3ccccc3C)ccc2c1 10495829 NRLRIYQNTHBJKF-UHFFFAOYSA-N 334.419 4.156 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1ccccc1 12846433 QPVAGOFFKOJTAB-LBPRGKRZSA-N 326.783 4.486 0 40 EIAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(OC)cc1Cl 12849110 KHIBQNAHBDOQFK-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc(C)cc(C)c1)O[C@H](C)C2 12978458 USKSXKOBMYKFNM-CQSZACIVSA-N 325.408 4.278 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2C)cc1 13115479 LZVMDRWDDBHINA-HXUWFJFHSA-N 349.459 4.052 0 40 EIAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc2[nH]cnc2c1 13693667 NSULSHVZQGYPEL-UHFFFAOYSA-N 341.414 4.125 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2cc(C)ccc2C)c(F)c1F 14258159 QAWPTGVZGWTVKV-UHFFFAOYSA-N 327.277 4.121 0 40 EIAB CC[C@@H]1c2ccsc2CCN1Cc1ccc(N2CCCC2=O)cc1 19501000 RTCCZKKAAFLHFI-GOSISDBHSA-N 340.492 4.384 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20141533 FJSQQKRKTZBDNT-UHFFFAOYSA-N 347.798 4.469 0 40 EIAB Cc1cc(NC(N)=S)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 20154584 DBUJRFMADYXLCR-UHFFFAOYSA-N 341.436 4.288 0 40 EIAB Clc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1 20662182 WZUHPHMEHZTDHC-UHFFFAOYSA-N 347.809 4.163 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3F)c12 22080826 UTMBHQXSFYHDPN-UHFFFAOYSA-N 345.761 4.453 0 40 EIAB CC(C)n1nccc1NC(=O)c1cc(Br)ccc1Cl 22289578 LBRZPKBNVIWMJH-UHFFFAOYSA-N 342.624 4.132 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 24961464 NPQDYWAHBWQSMD-UHFFFAOYSA-N 349.287 4.487 0 40 EIAB CCCCc1noc([C@@H](C)Nc2cccc(N3CCCCC3=O)c2)n1 27048937 PKYXEFRENRTKAH-CQSZACIVSA-N 342.443 4.102 0 40 EIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(F)c(F)c1 27140425 JMQXUIRMPCNCOJ-UHFFFAOYSA-N 330.378 4.203 0 40 EIAB O=C(CCCc1cccs1)Nc1cccc(Oc2cnccn2)c1 32817544 RTTGQNHSGOTZSJ-UHFFFAOYSA-N 339.420 4.292 0 40 EIAB COc1ccc(C(NC(=O)CC(C)(C)C)c2ccc(OC)cc2)cc1 32914629 KSPBRCBUUUSMQV-UHFFFAOYSA-N 341.451 4.346 0 40 EIAB CCn1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1 40087437 JIRFKKFJUSRYPT-UHFFFAOYSA-N 349.312 4.434 0 40 EIAB Cc1c(C(=O)N(C)Cc2ccsc2)oc2c1C(=O)CC(C)(C)C2 40141460 VSBORWGXSYWWAQ-UHFFFAOYSA-N 331.437 4.077 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)cc1 46747216 WSENMBJHAMXVKD-QGZVFWFLSA-N 344.480 4.181 0 40 EIAB CCOC(=O)c1cnc2c(C)c(Br)ccc2c1Cl 47913006 FBOWOAIHNTYHEN-UHFFFAOYSA-N 328.593 4.136 0 40 EIAB CN(C(=O)c1cccs1)c1ccccc1C(=O)OC1CCCC1 55104642 DFIVBRHRLDONSS-UHFFFAOYSA-N 329.421 4.124 0 40 EIAB COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1N 57340678 CYYBFGVIXKAGSP-UHFFFAOYSA-N 332.812 4.398 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412246 RMMLOMNNPLJMHU-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB CN(CCc1ccc(F)cc1)C(=S)Nc1ccc2c(c1)CCC2 63671899 HKVPKXSPDREZMD-UHFFFAOYSA-N 328.456 4.186 0 40 EIAB COC(=O)c1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1 67339780 HEDIMJCKSPTDCL-MDZDMXLPSA-N 335.359 4.180 0 40 EIAB Cc1noc(C)c1CN(C)[C@H](c1cccc(F)c1)c1ccccn1 69442823 CEFXVMVLOWAWGS-LJQANCHMSA-N 325.387 4.047 0 40 EIAB Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 69584691 FEHCSPYLOGBXMZ-LLVKDONJSA-N 332.787 4.145 0 40 EIAB Cc1noc(C)c1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 71920246 MMBGDGDWXOAHES-UHFFFAOYSA-N 337.782 4.280 0 40 EIAB CC[C@H](CO)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12 72048142 KNOMMCFMEBSBMY-CQSZACIVSA-N 339.464 4.419 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 72291528 YDFARVQEWUXWFW-DOMZBBRYSA-N 342.826 4.211 0 40 EIAB COc1cccc(CN2[C@H]3CC[C@@H]2Cc2nc(C(C)C)ncc23)c1F 72341922 FUXJCRWCZHLDFK-PBHICJAKSA-N 341.430 4.010 0 40 EIAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)n1ccc(C(F)(F)F)n1 75147265 PKKJQIHSTJQCOX-MRVPVSSYSA-N 342.708 4.215 0 40 EIAB CC(C)(C)[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1cccs1 84169264 PYZVIXRXAGVXND-QGZVFWFLSA-N 339.464 4.451 0 40 EIAB CCN(Cc1ccccn1)C(=O)Nc1cc(-n2cccc2)ccc1F 84321292 PBPSFOVXXCNUEG-UHFFFAOYSA-N 338.386 4.065 0 40 EIAB C[C@H](c1ccccc1F)[S@](=O)Cc1cccc(OC(F)F)c1 84660678 JICYOZWXWSJBRG-XFNZEKPQSA-N 328.355 4.437 0 40 EIAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc(C(C)C)on1 88391523 GLNJRNCBXJWLRS-OAHLLOKOSA-N 342.443 4.061 0 40 EIAB Cc1cc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c(C)o1 96119858 HSKUFWVKAZISAR-UHFFFAOYSA-N 339.416 4.119 0 40 EIAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N[C@@H]1CCCc2sccc21 96477815 HIPXPRGUIYLXAL-AYOQOUSVSA-N 341.524 4.021 0 40 EIAB O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@H](C1)N2C1CCCC1 100424295 NEIOPHBHODUDID-RTBURBONSA-N 345.462 4.275 0 40 EIAB CCC[C@@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373972 CVNVHOYBHQEWMN-REGVOWLASA-N 344.495 4.053 0 40 EIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@H]1CCCC[C@@H]1C 105877197 SSUDPGGFIUOSAD-DZKIICNBSA-N 328.481 4.410 0 40 EIAB O=C(O)C(CCCc1ccccc1)(CCCc1ccccc1)C(=O)O 169388056 HZEYBEVNFCIVPL-UHFFFAOYSA-N 340.419 4.188 0 40 EIAB C[C@@H](CCc1ccc(O)cc1)NC[C@@H]1CCO[C@H]1c1ccccc1 192039136 XVJJJZCOPNLOHE-LRQRDZAKSA-N 325.452 4.081 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1cn2ccccc2n1 206898218 NYIMWGOGEKJRBM-ZHACJKMWSA-N 329.359 4.246 0 40 EIAB Cc1nc(-c2ccccc2NC(=O)c2cc(C3CC3)on2)cs1 208009744 KGTCGFAWXQJCNY-UHFFFAOYSA-N 325.393 4.236 0 40 EIAB CCc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)cc1 223642724 AJSCQBXMTLMAEN-UHFFFAOYSA-N 333.431 4.140 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 225733403 DLHYBERKIHCQMT-QFBILLFUSA-N 341.451 4.347 0 40 EIAB CCOc1ccc(C2(NC(=S)Nc3cccnc3)CCCC2)cc1 225873928 AWXYXTBQRQEEAQ-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cc2cccc(C)c2oc1=O 226034654 WWANCNFZGFECOA-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(OC(C)C)cc1 226261670 KYDCSRZBJFFMNV-UHFFFAOYSA-N 341.455 4.155 0 40 EIAB Cc1ccc2oc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)nc2c1 226280956 KZZVZLFMFPKWRE-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2CC)cc1Cl 408585920 KXTICJYAPHQHDN-UHFFFAOYSA-N 339.844 4.102 0 40 EIAB c1cnc2nc(C3CCN(c4nccc5occc45)CC3)ccc2c1 656214931 LKFKPKADSRMKEC-UHFFFAOYSA-N 330.391 4.155 0 40 EIAB NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1Cl 195533 NYJPELKAFNNLJT-SILNSSARSA-N 333.174 4.071 0 40 EIAB Fc1ccccc1CNc1ccccc1I 504191 ZUZGNNOQIRZQQY-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB CC(C)=C[C@@H]1[C@H](CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 549835 BGKRMYAOMQFLJM-MSOLQXFVSA-N 339.483 4.135 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(C)c1C)C2 1369885 IQGCNCPKGSHJQI-ROUUACIJSA-N 345.556 4.385 0 40 EIAB Cc1ccc(CNC(=O)c2oc3ccccc3c2-n2cccc2)cc1 1390469 AZKFSWWQQKJLCN-UHFFFAOYSA-N 330.387 4.462 0 40 EIAB CCSc1nc2ccc(NCn3nnc4ccccc43)cc2s1 1588733 YEMAJSNYKFAPTQ-UHFFFAOYSA-N 341.465 4.223 0 40 EIAB CC(=O)N[C@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 2721340 AWGIOIKEGLPENK-LLVKDONJSA-N 345.805 4.074 0 40 EIAB CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(Br)cc2)C1(C)C 3172131 SRWPMVQYSMVHQE-RISCZKNCSA-N 338.245 4.029 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2ccccc2cc1O 3345943 IBYOFKNPHOFEEX-UHFFFAOYSA-N 345.354 4.066 0 40 EIAB aggregator Cc1sc2ncnc(NC[C@@H](c3ccco3)N3CCCC3)c2c1C 3349299 QWYQBXMPVKVMCU-AWEZNQCLSA-N 342.468 4.150 0 40 EIAB CCOc1ccc2oc(C(=O)NN3[C@H](C)CCC[C@H]3C)c(C)c2c1 3451662 QJCLXHCIIUAAAM-CHWSQXEVSA-N 330.428 4.048 0 40 EIAB CC(=O)OC[C@]12CO[C@H](CCc3ccccc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 4023980 FVFIDPRIGRPKRH-RNPPMORTSA-N 342.479 4.416 0 40 EIAB O=C1NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)S1 4060626 WKGUDPFFWIPJFG-OQLLNIDSSA-N 345.807 4.243 0 40 EIAB CSc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 5222386 GIJRMUWLHPDPTM-UHFFFAOYSA-N 346.477 4.272 0 40 EIAB Clc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1 5771908 FGUCJMRKVDKWBH-UHFFFAOYSA-N 336.782 4.024 0 40 EIAB CCCCC1CCC(C(=O)OCC(=O)Nc2ccc(OC)cc2)CC1 6087296 DEVLIMFAWXZGLW-UHFFFAOYSA-N 347.455 4.174 0 40 EIAB CC[C@H](C)c1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)cc1 6508237 UQYBJOLHBVSINB-AWEZNQCLSA-N 325.408 4.420 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cl)cc2O)cc1C 6640482 GTTDOHAGWIEWFX-UHFFFAOYSA-N 332.783 4.011 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)S[C@@H](C)C(=O)N2 6678866 JAEXTRAWXLTORX-KBXCAEBGSA-N 349.459 4.344 0 40 EIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1F 6925692 ZKIPGPDLLNQQMW-UHFFFAOYSA-N 336.647 4.284 0 40 EIAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 7641973 SVNJJLXLFLWLTP-UHFFFAOYSA-N 342.395 4.275 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 7735670 WIGJBKQEZVESHO-UHFFFAOYSA-N 348.402 4.391 0 40 EIAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 7944283 IUEGFBAWSSMXSL-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(F)cc1 8230899 YNCFRBNPROKTNB-SECBINFHSA-N 333.413 4.036 0 40 EIAB COC(=O)c1c(COc2ccc(C(C)=O)cc2)nc2ccccc2c1C 8287634 ZIHRQOBMLAIRLA-UHFFFAOYSA-N 349.386 4.111 0 40 EIAB Cc1cc(C)cc(OCCSc2nnc(Cc3ccccc3)o2)c1 8391698 ALPWGAPSWKHPMK-UHFFFAOYSA-N 340.448 4.448 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(Br)cc3)cc2n1 8798644 IGNVPXOLJDQTTD-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB CCN1C(=O)c2cc(NC(=O)c3ccco3)ccc2Oc2ccccc21 9134652 JREULWZLYBOELO-UHFFFAOYSA-N 348.358 4.304 0 40 EIAB CCc1ccc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1 9318693 JGXNPHHDCPRKIB-INIZCTEOSA-N 347.418 4.128 0 40 EIAB CC(C)CC[C@@]1(CC(=O)NCc2cccnc2)CCO[C@@H](C(C)C)C1 9423643 WKIGNWKCNUIPNI-TZIWHRDSSA-N 346.515 4.346 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccc(F)cc1)C1CC1 9460186 KDDADXBWANXMAV-UHFFFAOYSA-N 347.773 4.013 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCc2sccc2C1 10767450 ZFADUYOWDUQZME-LBPRGKRZSA-N 334.872 4.095 0 40 EIAB Cc1ccc(-c2cc(CNC(=O)Cc3ccc(Cl)cc3)no2)cc1 12235602 SFNLREVSOBFXKB-UHFFFAOYSA-N 340.810 4.162 0 40 EIAB O=C(CSc1nnnn1C1CC1)c1ccc(C2CCCCC2)cc1 12569221 CXYKGIRUBSSPHI-UHFFFAOYSA-N 342.468 4.031 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1 13049178 MSFHZLCMFLQAIP-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB Fc1ccc(-c2nn3c(-c4ccccc4F)nnc3s2)cc1Cl 13691403 XEAGMAOZAJMFNS-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB COc1cc(C(=O)N(C)Cc2ccccc2)cc(Cl)c1OC(C)C 14163005 SJLVPIBUXBCGNJ-UHFFFAOYSA-N 347.842 4.408 0 40 EIAB C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 15503025 PBCWGDQFBUCLNH-LYVOFQIGSA-N 348.446 4.163 0 40 EIAB CC1CCN(CCCNC(=S)Nc2ccc(C(C)C)cc2)CC1 18168918 CTADTVDQSAAOGT-UHFFFAOYSA-N 333.545 4.218 0 40 EIAB Cc1nccn1CCC(=O)Nc1ccccc1Oc1ccc(F)cc1 19288072 HXUQMBZNAMEYPZ-UHFFFAOYSA-N 339.370 4.152 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1F 19506988 DDOZTLKWCLEZEI-JTQLQIEISA-N 334.188 4.180 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c2ccccc12 19943758 KDDKTXRDWDTFLK-OAHLLOKOSA-N 347.480 4.049 0 40 EIAB CCOC(=O)c1cc(NC(=O)CCc2ccc(C)cc2)ccc1Cl 20456478 CDCCWOTUHAICLO-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)cc1 21596418 MGCUAWMEUZHLEN-UHFFFAOYSA-N 332.856 4.338 0 40 EIAB Cc1cccc(Cc2cnc(NC(=O)c3cc(Cl)ccn3)s2)c1 22586582 PNDKJTBYAVLJNI-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB CCc1cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)sc1C 23383650 QESCDYZJLBRFIN-LJQANCHMSA-N 343.492 4.205 0 40 EIAB CN(C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)C1CCCCC1 24971612 FULNDCYTCGTHHA-UHFFFAOYSA-N 347.459 4.099 0 40 EIAB O=C(CCc1ccccc1Cl)Nc1nnc(-c2ccccc2)s1 25735887 BTNYCVVQDVDONN-UHFFFAOYSA-N 343.839 4.430 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccccc1Cl 27580709 AYRJBIDAZBOUBY-MRXNPFEDSA-N 348.899 4.359 0 40 EIAB Clc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 29828996 NAUKXAYEYYKPNS-CQSZACIVSA-N 327.815 4.256 0 40 EIAB Cc1ccn2c(CN(C)C)c(-c3ccc(Br)cc3)nc2c1 31933044 VLRFPLDWNRNTKR-UHFFFAOYSA-N 344.256 4.134 0 40 EIAB O=C(CSc1nc2ccccc2o1)Nc1cccc2c1CCCC2 32958600 XREIZPGVBFUZMW-UHFFFAOYSA-N 338.432 4.437 0 40 EIAB CC[C@@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)NC 35458722 RNCWKUCWPBNWOH-XIZOHKNSSA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H]1CCc2ccccc21 40015954 MGEAXXDEUPECBE-HXUWFJFHSA-N 331.415 4.268 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 44905917 QNNWPSBHQPORMC-QGZVFWFLSA-N 347.462 4.348 0 40 EIAB O=C(CNCc1ccc(F)cc1)Nc1ccccc1-c1ccccc1 57999653 SXLVYUACAHVWNQ-UHFFFAOYSA-N 334.394 4.221 0 40 EIAB CN(C)Cc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1 58357106 KBWDELVJUSSIAM-UHFFFAOYSA-N 347.462 4.361 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)N1CCC[C@@H](C)CC1 63273615 HYMLLVFJKFVXIL-OAHLLOKOSA-N 339.439 4.096 0 40 EIAB COc1cccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c1 65513097 FBQGINZUBDVBRG-UHFFFAOYSA-N 337.379 4.121 0 40 EIAB CCN(C)Cc1cccc(CNC(=O)Nc2ccc(C)c(C)c2)c1 65590598 GNZMTZKVOPYDJA-UHFFFAOYSA-N 325.456 4.077 0 40 EIAB C[C@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1ccc(C(C)(C)C)cc1 69813875 BGXVTDIAHOHXAF-VOIUYBSRSA-N 349.540 4.024 0 40 EIAB CC1(C)Cc2cccc(OC(=O)c3ccc(-c4cnco4)cc3)c2O1 71820769 LUXPIDAHHRXCEC-UHFFFAOYSA-N 335.359 4.274 0 40 EIAB CC(C)c1ccc(CN2C(=O)C[C@](C)(c3ccsc3)C2=O)cc1 79107690 XOPYSNQXETWONR-LJQANCHMSA-N 327.449 4.088 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(Cc3nnc(C(C)C)o3)C2)n1 84630778 SXEQKYKCVBHLOI-CYBMUJFWSA-N 334.489 4.153 0 40 EIAB O=[S@](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1F 84728814 QJIMKOZBBSMSCX-QFIPXVFZSA-N 334.309 4.433 0 40 EIAB Cc1ccccc1NC(=O)NCCCn1ccnc1-c1ccccc1 85555128 AWRGISLSHBNCJQ-UHFFFAOYSA-N 334.423 4.070 0 40 EIAB CC[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)c2cccc(Cl)c2O1 96010806 LHKZKZHJRGROBG-LLVKDONJSA-N 333.819 4.004 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ncccc1OCc1ccccc1 96319086 ZAYAPPXZAKUTCC-MRXNPFEDSA-N 348.402 4.067 0 40 EIAB C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccncc1 96403766 AHUOPBWZFZNZQO-VIFPVBQESA-N 327.281 4.122 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104007019 WMFRJSAFESQPKB-BZSNNMDCSA-N 343.467 4.337 0 40 EIAB CC(=O)O[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118935468 CGBFTMGKAPXWPF-FAWMDMTCSA-N 344.495 4.408 0 40 EIAB OCc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 216796959 BMFRVIPAAANUNI-UHFFFAOYSA-N 338.588 4.403 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCCCc1ccc(F)cc1 222834061 HJKUMIJXWAPGRK-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCc1cccc2ccccc12 222893923 QFLSBRZIXJTOFT-UHFFFAOYSA-N 327.786 4.491 0 40 EIAB COc1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224450365 GWTRZVLCMLQXLU-UHFFFAOYSA-N 343.423 4.129 0 40 EIAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCCN2C(C)C)n1 257223410 DXGFNLCHRNQLOZ-SFHVURJKSA-N 327.476 4.165 0 40 EIAB O=C(c1ccccc1)N1CCC[C@H]1c1ncc(Cc2ccccc2)o1 257296964 RFEYAUAMBAUNQV-IBGZPJMESA-N 332.403 4.243 0 40 EIAB Cc1ccsc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409203738 YOAFKFCOMIJIIK-RVDMUPIBSA-N 329.446 4.336 0 40 EIAB Cn1ccnc1[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 564006836 QAEFQELVNZQLPW-OAHLLOKOSA-N 341.455 4.277 0 40 EIAB O=Cc1ccc(OCc2cccc(COc3ccc(CO)cc3)c2)cc1 604939382 WGWRSWLUKRMTTC-UHFFFAOYSA-N 348.398 4.149 0 40 EIAB COc1ccc(C(=O)c2ccc(C(=O)c3ccc(OC)cc3)cc2)cc1 341447 RKGZTMAFYGTLOV-UHFFFAOYSA-N 346.382 4.166 0 40 EIAB Clc1ccccc1-c1nnc2sc(COc3ccccc3)nn12 383122 UCBODKJDWOFCLS-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1cccc(Cl)c1)c1ccccc1O2 424759 DHCQHAGVTIFFJU-RHSMWYFYSA-N 330.840 4.275 0 40 EIAB O=C(Nc1cccc2ccccc12)N1CCN(c2ccccc2F)CC1 971792 HDIGPTYEXVHMFJ-UHFFFAOYSA-N 349.409 4.333 0 40 EIAB O=C(Nc1ccccn1)c1ccc(COc2ccccc2Cl)o1 1002247 IKBRIUULMFEPOR-UHFFFAOYSA-N 328.755 4.159 0 40 EIAB O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 1424357 TVUJNVPPOVKUSX-UHFFFAOYSA-N 336.410 4.045 0 40 EIAB COc1ccc(C(=O)CCCCC(=O)c2ccc(OC)cc2)cc1 1595846 JQRBVENMUYHRHT-UHFFFAOYSA-N 326.392 4.330 0 40 EIAB Cc1cc(N(C)C)nc(SCc2ccc(Cl)cc2Cl)n1 1681361 RFYXUAOCVQLWDA-UHFFFAOYSA-N 328.268 4.450 0 40 EIAB CC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1914118 DSHPKNSFNROZCC-UHFFFAOYSA-N 325.408 4.304 0 40 EIAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(SC)cc1 2516651 HDLAEHRALAIAOL-UHFFFAOYSA-N 328.433 4.401 0 40 EIAB CCOC(=O)c1csc(NC(=O)C2CCC(C(C)(C)C)CC2)n1 3227781 GAPHXTGBJOFYPP-UHFFFAOYSA-N 338.473 4.111 0 40 EIAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1 3326955 IQFVCDQIIJYJGA-UHFFFAOYSA-N 327.380 4.294 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1F 4072179 RWLSLUBOLLWKBF-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCCc1cc(=O)[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 4317426 IKPIYMGBEZNSLM-UHFFFAOYSA-N 329.252 4.322 0 40 EIAB CC(C)c1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 4580646 TZDBHFJQNOUUQI-UHFFFAOYSA-N 347.524 4.305 0 40 EIAB COc1ccc([C@@](O)(c2ccccc2C)c2ccccc2OC)cc1 4692319 ZLBMSKBKGPNEPE-JOCHJYFZSA-N 334.415 4.296 0 40 EIAB Cc1cc2nc(Sc3ccc4c(c3)OCCO4)c3ccccc3n2n1 7737807 AQNSLMZJHKMTKS-UHFFFAOYSA-N 349.415 4.113 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882487 BSTAEFYPMJSEHV-QGZVFWFLSA-N 344.414 4.140 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1cc2ccccc2o1 7889411 UXQFLUIDSRPWNV-GFCCVEGCSA-N 329.783 4.342 0 40 EIAB Cc1ccccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 7918106 RUWFPGMGYDILPE-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl 7951456 IVIXKBCAKLPYOI-UHFFFAOYSA-N 344.842 4.266 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(C)C 8040931 KOJDJIPDAAKJCT-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB CCc1cccc(CC)c1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1 8987295 LIUDDXZXUFURRG-OAQYLSRUSA-N 339.435 4.183 0 40 EIAB Cc1ccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc2c1 9357524 SRKJREUCTTVIAP-UHFFFAOYSA-N 348.406 4.394 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c(Cl)c1 9689912 QDGXIDXOZXFTAZ-YVEFUNNKSA-N 331.799 4.124 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12 10087221 NVBXJDCTBNVGJR-VIFPVBQESA-N 333.844 4.088 0 40 EIAB CCSc1ncc(CNC2(c3ccccc3F)CCCC2)cn1 12344612 VLYXUBHXALJXCK-UHFFFAOYSA-N 331.460 4.287 0 40 EIAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCC(C)CC1 12659876 BBDDLXJVGOEGNB-SHJAMOMRSA-N 331.500 4.177 0 40 EIAB biogenic CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccccc3Cl)cnc21 12769798 VGBCGELZQQQURP-LBPRGKRZSA-N 342.830 4.157 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494952 SQDPXVGFRWFMAE-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(CC)cc2)cc1 13789264 TZCNMMDHHUIYSJ-UHFFFAOYSA-N 328.437 4.235 0 40 EIAB Cc1ccc(Cl)c(OC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 14849433 LVFCLAGKHALUMA-AWEZNQCLSA-N 343.810 4.145 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 19580449 VXXLEWXDVMCDIH-JTQLQIEISA-N 332.787 4.111 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 24208762 JCMFCRVJJFKHMG-DYVFJYSZSA-N 345.439 4.255 0 40 EIAB C=C=Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 35167684 KNPICQJZTCIDQE-QGZVFWFLSA-N 343.430 4.429 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)cn1 40142435 AKQGHLONJLPVDV-UHFFFAOYSA-N 348.450 4.345 0 40 EIAB O=C(c1ccc(Cl)c(Cl)c1)c1ccc(C2OCCO2)s1 43210441 KTJAZJQNWAVZKR-UHFFFAOYSA-N 329.204 4.331 0 40 EIAB COc1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1 44880224 BNTYZKKOTBDBJD-LJQANCHMSA-N 341.476 4.122 0 40 EIAB CC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 47001697 OGZVZCKDSIILBG-IBGZPJMESA-N 342.508 4.107 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)NCC(c1ccccc1)c1ccccc1 58332865 MYLOQSGIUOGCQB-OAHLLOKOSA-N 348.446 4.343 0 40 EIAB Cc1ccc(CN(C)C(=O)COc2cccc(C(F)(F)F)c2)cc1 60570140 OFPUJVKWUFDHAU-UHFFFAOYSA-N 337.341 4.051 0 40 EIAB CCc1noc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 64580062 HHZUICQTHXYMQG-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB CC[C@H](c1ccccc1)c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 65259442 XSXZSIJYVMDVFW-FUHWJXTLSA-N 347.418 4.132 0 40 EIAB CC[C@H](C)[C@@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 69778613 OVBBZOHPPPOFAZ-UONOGXRCSA-N 345.443 4.074 0 40 EIAB COc1ccc([C@H]2CCCN2c2cc(C)nc(-c3ccncc3)n2)cc1 70037479 BUBXAJCYXFOSGD-LJQANCHMSA-N 346.434 4.197 0 40 EIAB Cc1cc(C(=O)N(C)Cc2ccccc2)c2cnn(C3CCCC3)c2n1 71284579 XPBUDQXUTWPMBT-UHFFFAOYSA-N 348.450 4.127 0 40 EIAB COc1ccc(N(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(C)C)cc1F 71853725 VJANQOIAMQFYIX-UHFFFAOYSA-N 346.402 4.037 0 40 EIAB CSc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl 72310332 HEKZTMFRRSSJMN-UHFFFAOYSA-N 343.839 4.500 0 40 EIAB Cc1ccc2nc(C3CN(C(=O)c4cccc5ccccc45)C3)[nH]c2c1 75156447 PDKORTITRGDLTJ-UHFFFAOYSA-N 341.414 4.264 0 40 EIAB Cc1cc(Oc2ccc(NC(=O)NCc3sccc3C)cc2)n[nH]1 84257488 NHVYGMIQYIEVDL-UHFFFAOYSA-N 342.424 4.202 0 40 EIAB Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCc3nccn3C)cc2)o1 95419410 NOZQKQSGAGPWKX-HOTGVXAUSA-N 339.439 4.312 0 40 EIAB CC(C)n1ccc2c(NC(=O)C[C@@H]3NC(=O)c4ccccc43)cccc21 95472207 TXBZWZVTECAPHW-SFHVURJKSA-N 347.418 4.036 0 40 EIAB O=C(Oc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 95949834 KTTVOZUZGFSXQY-CQSZACIVSA-N 338.432 4.118 0 40 EIAB CO[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1Cl 121913766 PHUPERYXXAGNLC-KRWDZBQOSA-N 329.783 4.204 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)cc2)S1 222559408 IEPSDEGHUBKREL-RLCCDNCMSA-N 329.856 4.324 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2cccc(C)c2C)cc1 223901296 GZMPIWWTEVIDET-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB CCOCc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCC 224697171 OEAOKSSFPCMRIA-UHFFFAOYSA-N 343.423 4.191 0 40 EIAB CCOc1ccc(C(=O)NCC(C)C)cc1COCc1ccccc1 224744297 CKGMXHNNRDMEKJ-UHFFFAOYSA-N 341.451 4.188 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CCc2ccc(OC)c(C)c2)cc1 224813262 LTAUCJPCAUYJRU-MRXNPFEDSA-N 325.452 4.376 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1 224910096 QRTGXICTZPCJBL-CQSZACIVSA-N 347.842 4.385 0 40 EIAB COc1ccc(C2=NCc3ccccc3-n3c(C)ccc32)cc1OC 225374559 PEPANAIFWQKFEV-UHFFFAOYSA-N 332.403 4.154 0 40 EIAB Cc1cccc(CNC(=S)Nc2cccc(Br)c2)c1 225426014 LIBZSKJIZFPINF-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C(C)(C)C)cc1 225592725 NNRZUYFQDYTGLL-MRXNPFEDSA-N 332.488 4.315 0 40 EIAB CCOc1cc(NC(=O)c2cccc(Cl)c2)cc2sc(N)nc12 226309963 SGIYTEYSKBRKGA-UHFFFAOYSA-N 347.827 4.183 0 40 EIAB CCCCOc1ccc(C(=S)NCc2ccccc2OC)cc1 408577535 SYTKIELCAVMWEY-UHFFFAOYSA-N 329.465 4.339 0 40 EIAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1cccc(F)c1 408628333 WXWCQIQWQJOLGI-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2OCCC[C@H]12 601008690 RROYEMKQPPGUAQ-HICWGWBUSA-N 330.255 4.418 0 40 EIAB Cc1ccc(-c2nnco2)cc1NCc1cccc(OC(F)F)c1 1620853003 CJLVCBQYNUZCCR-UHFFFAOYSA-N 331.322 4.259 0 40 EIAB COc1ccc(Cl)c2sc(N3CC[C@@H](c4ccccn4)C3)nc12 2298088994 LRPYSTMDEVHYAA-LLVKDONJSA-N 345.855 4.347 0 40 EIAB COCc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1 1610774 PDUMFSCCQCMULY-UHFFFAOYSA-N 325.364 4.172 0 40 EIAB CC[C@@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 2109999 BEJITXVNDNZAGW-SFTDATJTSA-N 343.467 4.294 0 40 EIAB biogenic CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(Cl)cc(Cl)c1 2505692 NMXNAYGOUOQUPC-NSHDSACASA-N 334.199 4.034 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2ccc(C)c(Cl)c2)c1 2638345 DEULJJNZQKRSOA-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB O=C(O)c1cnn2c(C(F)F)cc(-c3cccc4ccccc34)nc12 2771058 ZFHCCZQQITZBBQ-UHFFFAOYSA-N 339.301 4.185 0 40 EIAB CCCNC(=S)Oc1cccc(C(=O)Nc2ccccc2Cl)c1 3088486 WCXVSWNXOPCEJD-UHFFFAOYSA-N 348.855 4.256 0 40 EIAB Cn1cc(SCC(=O)N2CCCc3ccccc32)c2ccccc21 4059768 HPNVZBCAPXUJQS-UHFFFAOYSA-N 336.460 4.250 0 40 EIAB Cc1cc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)ccc2n1C 4061469 PKIAWTMRIZFXCS-UHFFFAOYSA-N 336.479 4.319 0 40 EIAB O=C(COC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)CCCC2 5037055 JRXODLXIDDHMAF-UHFFFAOYSA-N 333.387 4.086 0 40 EIAB CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 5195795 KIMDVVKVNNSHGZ-UHFFFAOYSA-N 338.359 4.086 0 40 EIAB biogenic,in-vitro O=C(NCCc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 5894873 HJQYEQXPHZTDNL-UHFFFAOYSA-N 332.875 4.151 0 40 EIAB COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(F)cc1F 6938780 XHYLIFOUEODHNF-UHFFFAOYSA-N 340.713 4.049 0 40 EIAB COc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 6942814 NJBXPIQDCMTTTH-UHFFFAOYSA-N 347.414 4.304 0 40 EIAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC 7059679 LCVRMUXOYFXWKF-NSHDSACASA-N 331.437 4.142 0 40 EIAB Cc1cc(F)ccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 7962296 YDWHGKJYXLKYMV-UHFFFAOYSA-N 331.435 4.175 0 40 EIAB O=C(COc1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1 8115141 FVIAYDUSWATMOW-OAQYLSRUSA-N 349.455 4.301 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1Cl 8273515 KRYNMLKFHHRQOO-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 8558844 MZTTZDUARCPNSD-INIZCTEOSA-N 327.424 4.497 0 40 EIAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 8704124 HOPMQNBAEDAPKF-HNNXBMFYSA-N 334.419 4.264 0 40 EIAB COc1ccc(N[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 9335788 PQZGDQFJUMYEAY-GFCCVEGCSA-N 348.830 4.105 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2c1[C@H](O)CC(C)(C)C2 9548032 OEMIEJGRCQUFGF-DZGCQCFKSA-N 327.424 4.085 0 40 EIAB O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 10542319 XUBLRJUGVRHBGW-UHFFFAOYSA-N 326.198 4.495 0 40 EIAB COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)OCC2 12419710 SKBXJHLNLXHULY-KRWDZBQOSA-N 338.325 4.385 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cccc(Cl)c1Cl 13265248 VCQWNMDJRBTWEZ-BLLLJJGKSA-N 334.250 4.354 0 40 EIAB O=C(NCCc1ccccc1F)c1ccccc1C(=O)c1ccccc1 14303692 PHCPCYDJOZHELA-UHFFFAOYSA-N 347.389 4.029 0 40 EIAB CN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCCc2ccccc21 15291658 ARLYNYZZAHGRNW-GOSISDBHSA-N 337.398 4.385 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1Br 16027594 WZBATCJFYKIBGB-UHFFFAOYSA-N 329.197 4.112 0 40 EIAB Cc1cccc(C)c1NC(=O)NN=Cc1ccc(Br)cc1 16512362 QVNLLEFLGISSAQ-UHFFFAOYSA-N 346.228 4.222 0 40 EIAB CCC[C@H](NC(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccccc1 21929100 WPXWYKSLYSPGPQ-FQEVSTJZSA-N 341.499 4.356 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1Nc1cccc(F)c1 22072149 QNDWDYJNEAYAQJ-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB CC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 24375720 MIFRBBYYIKMJDY-UHFFFAOYSA-N 342.826 4.359 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1ccc(-n2cccn2)cc1 24570719 PPOWTLAXKHZTOG-UHFFFAOYSA-N 327.387 4.207 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 28405249 NNCZEORRZXJJFW-UHFFFAOYSA-N 341.436 4.032 0 40 EIAB Cc1ccc2nc(/C=C/c3c(C)nc4sccn34)cc(C(=O)O)c2c1 32743587 YEGGQTZROFNEKF-GQCTYLIASA-N 349.415 4.429 0 40 EIAB Cc1cccc(/C=C(/C(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccs2)c1 32906691 VWFJKGKGKSAAQE-DYFSNASRSA-N 341.476 4.233 0 40 EIAB Cc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 35290365 DIYCPNTWGNVZRG-UHFFFAOYSA-N 334.423 4.283 0 40 EIAB Clc1ccc(NC2(c3nnnn3-c3ccccc3)CCCC2)cc1 35622443 KQXXYNFYYILNCL-UHFFFAOYSA-N 339.830 4.197 0 40 EIAB CCCCOc1cccc(C(=O)Nc2cccc3nsnc23)c1 35672811 GDZJPIXXGHLEED-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB CSc1ccccc1NC(=O)c1cc(-c2cccs2)nn1C 42383494 UVTCCWDPNDVVCN-UHFFFAOYSA-N 329.450 4.123 0 40 EIAB CC(C)(c1ccccc1)c1ccc(OC2CNC2)c(Br)c1 42769595 HGOKBSQOFDNZIX-UHFFFAOYSA-N 346.268 4.126 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(OC)cc1 44905177 QMKCHAQWWGZHOE-MAUKXSAKSA-N 327.424 4.038 0 40 EIAB CC[C@@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(C)cc1 49581003 SIACTIUKZPZONZ-MRXNPFEDSA-N 341.842 4.126 0 40 EIAB CN(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412516 VWFQNPKHRWOPJC-UHFFFAOYSA-N 340.814 4.048 0 40 EIAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(N2CCCCC2)cc1 58432921 GZEJBSAJCWTNDE-VZUCSPMQSA-N 348.446 4.264 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(C(F)(F)F)c1 60570132 LGJWVBNEYNPHEY-LBPRGKRZSA-N 335.325 4.062 0 40 EIAB Clc1ccc(Oc2cc(Br)cc3nonc23)cc1 66089227 NCBDCYWEHRVGDX-UHFFFAOYSA-N 325.549 4.431 0 40 EIAB Cc1ccccc1-c1nc(C(=O)N(Cc2cccnc2)C2CC2)cs1 66607104 GZJTXNWBTKBJBF-UHFFFAOYSA-N 349.459 4.318 0 40 EIAB CCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 69454728 JSRCNXIZBGWCFA-UHFFFAOYSA-N 338.238 4.120 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccccc1Br 71287745 HLQQJIFAHMTNQU-LLVKDONJSA-N 334.217 4.350 0 40 EIAB CC(C)(C)c1noc(CCC(=O)N2CCCCC[C@H]2c2ccco2)n1 71914829 BACXHQGSIWKYIJ-AWEZNQCLSA-N 345.443 4.037 0 40 EIAB Cc1noc(C)c1C(=O)Nc1cc(F)ccc1SCC(F)F 72291398 MBPVIHKMDUMDBG-UHFFFAOYSA-N 330.331 4.040 0 40 EIAB Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4nccn4C)C3)n2)c1 72349994 UOPWELUCVAFBLD-LJQANCHMSA-N 346.478 4.170 0 40 EIAB O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ccncc1Cl 73094533 VLSULNSMIVXQHR-CYBMUJFWSA-N 341.625 4.459 0 40 EIAB Cc1noc(C)c1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 75134346 BVRQCJDYFBBMCK-NSHDSACASA-N 342.424 4.298 0 40 EIAB CC(C)n1cc(CCCC(=O)NCCc2ccccn2)c2ccccc21 79479389 PRBNMAUNMJYVQE-UHFFFAOYSA-N 349.478 4.299 0 40 EIAB Cc1ccccc1[C@H](NC(=O)CCc1nnc(C(C)C)o1)C(C)(C)C 79635573 GEVVROVJBNZQTD-SFHVURJKSA-N 343.471 4.338 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)Cc1cccc(O)c1 80008733 SKRAIYJOJMTQTQ-KRWDZBQOSA-N 342.439 4.149 0 40 EIAB N=C(NCCc1cccnc1)Nc1cccc(Oc2ccccc2)c1 83036464 BDSYQZQMIWZXPR-UHFFFAOYSA-N 332.407 4.053 0 40 EIAB C[S@](=O)c1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1 85298494 OUHROZZAPCETEG-RCZVLFRGSA-N 349.499 4.498 0 40 EIAB Cn1cc(CCNCc2c(Cl)cccc2Oc2ccccc2)cn1 95455757 AFQOWYBZMSKCKY-UHFFFAOYSA-N 341.842 4.198 0 40 EIAB CCC[C@@H](C(=O)N1CCC(Cc2cccnc2)CC1)c1ccccc1 95457887 IHWUIQRWZANXGK-OAQYLSRUSA-N 336.479 4.447 0 40 EIAB O=C(NCC1(Sc2ccccc2)CC1)c1c(F)cc(F)cc1F 95961201 RDJYTPJHKVPQOZ-UHFFFAOYSA-N 337.366 4.159 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2)oc1C 95972773 IJJUQJRYVHPFBN-IBGZPJMESA-N 348.402 4.211 0 40 EIAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100849976 NAMDWRSLZOENIE-HNNXBMFYSA-N 349.217 4.046 0 40 EIAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101706815 LKWMEDLWCIVBFH-WGBDABJCSA-N 348.295 4.096 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1 113960324 ZBEOKRIOLANFHG-APWZRJJASA-N 341.451 4.347 0 40 EIAB CC1(C)OC[C@H](COc2ccc(C(C)(C)c3ccc(O)cc3)cc2)O1 205368194 GTPLEPLJBOZVNQ-IBGZPJMESA-N 342.435 4.248 0 40 EIAB COC(=O)/C=C/c1ccc(OCc2ccccc2)c(Br)c1 216885609 RPLQKPICBOOMGX-CSKARUKUSA-N 347.208 4.214 0 40 EIAB Nc1nnc(/C=C/c2cccc(OCc3ccccc3Cl)c2)o1 216906075 HBGYJXGBRRJKDU-CMDGGOBGSA-N 327.771 4.055 0 40 EIAB O=C(O)c1cc(Cl)c(OCc2ccccc2)c(Br)c1 216910390 RWSABTVLTGEIBB-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)n1cc(C=O)c2ccccc21 216956119 HKKZHUNCAMJYFW-UHFFFAOYSA-N 348.185 4.458 0 40 EIAB CSc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 222696214 PPQDJYWNQPYQIM-UHFFFAOYSA-N 327.449 4.305 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(OC)c(C)c1 223049110 YBVYZFADEUCKAM-RDTXWAMCSA-N 345.414 4.178 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1F)CC(C)(C)O2 223454957 WGTYDPRRZIUMNL-GOSISDBHSA-N 341.426 4.485 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2cc(C)cc(C)c2)cc1 224054488 PCBNUTRJBHXBEH-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2)cc1C 224265993 BRCZCEGDHZHYQL-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB O=C(CCc1cccc2ccccc12)NCCOc1ccc(F)cc1 224940529 GVVWSNUQCIXOEU-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccnc1 225428506 HKEPMWJFQKRLLS-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB O=C(COc1ccccc1F)N[C@H](c1ccsc1)c1cccs1 390827105 UCQHBJHTQLRPDI-QGZVFWFLSA-N 347.436 4.233 0 40 EIAB Cc1ccc(-c2cc(C)nc(SCc3ccc(C(=O)O)o3)n2)cc1 408559108 XNGGTYKIYHYQAF-UHFFFAOYSA-N 340.404 4.344 0 40 EIAB CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(C)ccc21 408713379 VSYFUXAKRLVYRP-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB Cc1cc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nn1C 548791904 UQRRJSIPUVRINP-OAHLLOKOSA-N 331.423 4.216 0 40 EIAB Cc1ccc(N2C[C@@H](c3nc(CCC(C)(C)C)no3)CC2=O)c(F)c1 585081683 GOWIDJPTDPCFEZ-ZDUSSCGKSA-N 345.418 4.016 0 40 EIAB COc1ccc(NCc2nc3c(s2)CCCC3)c2cccnc12 1650727987 AVVWOWVYLLBVIE-UHFFFAOYSA-N 325.437 4.191 0 40 EIAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2ccccc2o1 137654 CIWAJIBTESFDQH-UHFFFAOYSA-N 346.338 4.247 0 40 EIAB biogenic CCOC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 410886 NJMMMTLJZSECHC-UHFFFAOYSA-N 337.444 4.481 0 40 EIAB COc1cccc(OCc2nnc(SCc3ccc(F)cc3)o2)c1 418642 QPEKKKNSROENRN-UHFFFAOYSA-N 346.383 4.089 0 40 EIAB CN(Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1 1460482 LRZZDGIWDUCYJX-UHFFFAOYSA-N 330.453 4.303 0 40 EIAB CCOCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 2348395 AWDHRJVPQLIVHJ-UHFFFAOYSA-N 330.815 4.305 0 40 EIAB CCOC(=O)[C@@H](Sc1nc2ccccc2nc1C)c1ccccc1 2710314 JIOKNTVJTFMVIX-KRWDZBQOSA-N 338.432 4.335 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)c(C)c1 3083670 PMMHGWAMCLITDS-OAHLLOKOSA-N 329.469 4.138 0 40 EIAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc2ccccc2c1 3390994 HURUIWCWELWBTH-JLHYYAGUSA-N 331.371 4.035 0 40 EIAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(C)c(C)c2)cc1 4120356 UTYAIERUAYEMDT-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB COc1ccccc1CSc1nnc(C)n1-c1ccccc1C 4186486 ARORGBPCBUVCMS-UHFFFAOYSA-N 325.437 4.185 0 40 EIAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1F 4682374 IAFORFBBYPVGJO-UHFFFAOYSA-N 343.210 4.259 0 40 EIAB C[n+]1ccccc1/C=C/c1nc2ccccc2n1Cc1ccccc1 4906730 HGDQTRVNZFPKIC-UHFFFAOYSA-N 326.423 4.080 0 40 EIAB CC[C@H](C)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146426 RCNHTCASJQEGMU-NSHDSACASA-N 347.871 4.173 0 40 EIAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 5471271 BQNRDLZOKHXMKG-HNNXBMFYSA-N 341.451 4.076 0 40 EIAB CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 5682205 RHZVYFJJRYCVMK-OXJNMPFZSA-N 339.435 4.307 0 40 EIAB COC(=O)c1c(C)[nH]c(C(C)=O)c1Cc1cc(Cl)ccc1Cl 5936660 DJRYZHDEBYCTME-UHFFFAOYSA-N 340.206 4.210 0 40 EIAB Cc1cc(C)cc(OCCSc2nc(-c3ccccc3F)n[nH]2)c1 6879796 TWQMVSFRJZMDPH-UHFFFAOYSA-N 343.427 4.399 0 40 EIAB Cc1sc(NC(=O)Cc2cccc(F)c2)nc1-c1ccccc1 6968871 HXAFYBZOPFXRNU-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB Fc1ccc(Oc2ncnc3sccc23)c(Br)c1 7983638 OXWDASRESLSKLW-UHFFFAOYSA-N 325.162 4.385 0 40 EIAB CC(C)[C@H](NC(=O)/C=C/c1cccs1)c1ccc2c(c1)OCCO2 8124788 HVZPQGWXXUSSKI-FNQPIQQGSA-N 343.448 4.046 0 40 EIAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccc(F)cc1 8750429 PLYUGTWJXSKDST-JTQLQIEISA-N 348.834 4.305 0 40 EIAB Cc1c(CN2CCCC[C@@H]2CCN2CCCC2=O)oc2ccccc12 12364398 ACHBPVJKZQJRLG-QGZVFWFLSA-N 340.467 4.108 0 40 EIAB CCOc1ccc(NC(=O)c2ccc3ccccc3n2)cc1OCC 12822053 LRUPZOCGFNAKHJ-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB COc1cccc(-c2nc(C(=O)Nc3ccccc3)cs2)c1OC 12823815 MMTZRFBZAHVAPO-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)ccc1F 15497594 KXBRRZWRSKDKAR-LJQANCHMSA-N 338.382 4.037 0 40 EIAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 15975085 OQBCRMMXJXMVLO-GHMZBOCLSA-N 329.466 4.182 0 40 EIAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CCCCC1 16850216 HETOMPSJIALISP-UHFFFAOYSA-N 333.432 4.017 0 40 EIAB CCc1ccc(N2C(=O)CS[C@H]2c2cccc(OC)c2OC)cc1 17198434 JGBOVKGZUVKLNL-IBGZPJMESA-N 343.448 4.045 0 40 EIAB COc1ccc(Br)c(C(=O)NCCC2=CCCCC2)c1 17334853 GLBOVFJBORCGOB-UHFFFAOYSA-N 338.245 4.078 0 40 EIAB CC(C)c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 21335742 PJTLQJHGXPARBE-UHFFFAOYSA-N 349.434 4.008 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1OC 22531470 NRPNENUNVUUFIY-UONOGXRCSA-N 345.464 4.062 0 40 EIAB COc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC)cc1 28306002 ZOWMWUOBGKKXMJ-LLVKDONJSA-N 334.803 4.240 0 40 EIAB CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 28914186 TURAJQGQHKOFIK-UHFFFAOYSA-N 337.444 4.097 0 40 EIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1 31903955 VRXYAWBXKLBPGP-UHFFFAOYSA-N 339.501 4.047 0 40 EIAB O=S(=O)(Nc1c(F)cccc1F)c1ccccc1-c1ccccc1 32754900 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Cc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c(C)o1 390828007 NHLNOVOFAHVRLO-UHFFFAOYSA-N 331.375 4.463 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1cccc(C)c1C)c1ccccc1 408979080 LCTOULLFKPTHFL-SFHVURJKSA-N 340.423 4.119 0 40 EIAB Cc1s/c(=N\C(=O)c2ccc(F)cc2)n(C)c1-c1ccc(F)cc1 409200268 RCTQZAAIRUSZHX-UZYVYHOESA-N 344.386 4.081 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 51100 XISJLRYLLQWDDI-UHFFFAOYSA-N 344.461 4.228 0 40 EIAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 190302 LQYPKFMVJQWSEK-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1F 203144 MMNCXGDFFHZJDH-UHFFFAOYSA-N 331.350 4.393 0 40 EIAB O[C@@](c1ccccc1)(c1ccco1)[C@](O)(c1ccccc1)c1ccco1 1661383 DZHGFHSQDFHGNX-VXKWHMMOSA-N 346.382 4.045 0 40 EIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1 3115809 GOXJMNMDBAZONN-QGZVFWFLSA-N 344.414 4.140 0 40 EIAB CCCCc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 3417599 KUTHJLCMLQUDRU-UHFFFAOYSA-N 344.842 4.051 0 40 EIAB Cc1ccc(Cl)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 3494294 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c1ccc(-c2nc3c4ccccc4nc(NCc4ccco4)n3n2)cc1 6805390 BXMIPYPGVNWKCC-UHFFFAOYSA-N 341.374 4.150 0 40 EIAB CCOc1ncccc1C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 6875868 ONBTZZAPJWXBTO-HNNXBMFYSA-N 326.440 4.170 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCCC1 7107178 HASWXPLKOTWWLU-UHFFFAOYSA-N 348.368 4.487 0 40 EIAB COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1C 7117261 QWCWMXVJAABEHH-ZDUSSCGKSA-N 340.448 4.447 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 7248898 OMHMRPQHKFCTIC-UHFFFAOYSA-N 344.263 4.123 0 40 EIAB COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1C(C)=O 7427420 DBOIMUZSZULAHU-UHFFFAOYSA-N 332.783 4.333 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1cccc(Cl)c1O2 8023726 XXHILIDXRKYVAM-RHSMWYFYSA-N 330.840 4.275 0 40 EIAB COCCOc1ccc(C(=S)N2CCCCC2)c2ccccc12 8106092 UGOZGXKMSIZWFG-UHFFFAOYSA-N 329.465 4.026 0 40 EIAB COc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)C)n2)cc1 8559180 KMSMTBIYYCXTHR-UHFFFAOYSA-N 337.379 4.007 0 40 EIAB S=C(Nc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10184202 MWJWSQUYZLSXSR-CQSZACIVSA-N 336.464 4.139 0 40 EIAB O=C(NCCCSc1ccc(Cl)cc1)Nc1nccs1 10220879 WKJZZPGDHPJQJY-UHFFFAOYSA-N 327.862 4.100 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)CCc1c[nH]c2ccccc12 10542174 MSOWPUZIELCQOG-UHFFFAOYSA-N 334.419 4.089 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 10641057 RUXUGCUISRDAKJ-UHFFFAOYSA-N 340.276 4.055 0 40 EIAB Cc1nc2c(c(S[C@@H](C)C(=O)Nc3cccc(C)c3C)n1)CCC2 12016723 BWCQGRJVIMILAU-ZDUSSCGKSA-N 341.480 4.010 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)NCc2ccncc2)c1C 12597915 XHSWZQQATBQZLQ-UHFFFAOYSA-N 331.419 4.372 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 12769180 ASUALTOORFMYAL-VXGBXAGGSA-N 335.753 4.200 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 13001453 ONEWJJXAKAQQJT-NTEUORMPSA-N 349.430 4.394 0 40 EIAB COc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)c(OC)c1 13823366 PVMUCNUHWLOUPI-MRXNPFEDSA-N 342.464 4.068 0 40 EIAB CC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C 14049046 PSHVMCVBCDZQCF-MRXNPFEDSA-N 333.435 4.376 0 40 EIAB O=c1c2cccnc2nc(SCc2ccccc2)n1-c1ccccc1 14185376 ZHGXHGPNRDJGLU-UHFFFAOYSA-N 345.427 4.073 0 40 EIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Br)cc1)C2 14206143 LYVJYMSRAPLFIF-HNNXBMFYSA-N 348.265 4.413 0 40 EIAB COc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 15539449 XPWVGFOTYHTTMR-MRXNPFEDSA-N 338.432 4.282 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2F)c(OC)c1 15575686 WXDGZLWVUUKEAB-SNAWJCMRSA-N 329.371 4.193 0 40 EIAB COc1ccccc1[C@H](C)NCc1c(C)nn(Cc2ccccc2)c1C 17314263 AAURNPGXRQSASU-INIZCTEOSA-N 349.478 4.408 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(C)=O)cc1 20481313 XRYPEBQGSZWBMY-MRXNPFEDSA-N 346.814 4.095 0 40 EIAB O=C(OCCOc1ccc(Cl)cc1)c1cccc2cccnc12 21534658 BBQPQAMENBAARL-UHFFFAOYSA-N 327.767 4.124 0 40 EIAB CCN(CC)CCNCc1cccc(OCc2ccccc2Cl)c1 22075483 DYUNNECAXOJQDL-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccn1 22570490 JUCVGGZDXFCJGW-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB Cc1nc(C2CC2)nc2sc(C(=O)NCCC(C)(C)C)c(C)c12 31758619 IMINMQUSXBVTRX-UHFFFAOYSA-N 331.485 4.352 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 35824884 LGWMNYOKMADBBG-UHFFFAOYSA-N 336.750 4.300 0 40 EIAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 36620991 DBMYBFHEIQVDCD-QGZVFWFLSA-N 335.856 4.174 0 40 EIAB O=C(NCC(F)(F)F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40062213 VVUIEJHCCXJBGX-MNOVXSKESA-N 340.370 4.025 0 40 EIAB CCSc1ccccc1NS(=O)(=O)Cc1cccc(Cl)c1 44904862 UHXNZXMOPQUJGI-UHFFFAOYSA-N 341.885 4.394 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 51354022 CNHGCVXHASVEMN-UHFFFAOYSA-N 349.789 4.398 0 40 EIAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCc1ccccc1 57541656 LHSWQSHIKRJTJV-KRWDZBQOSA-N 336.479 4.404 0 40 EIAB CC(C)c1cccc(NC(=O)NCCCc2nc(C(C)C)no2)c1 58324953 ZEJRWVMAFWLDOW-UHFFFAOYSA-N 330.432 4.071 0 40 EIAB Cc1cccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)c1 62639728 GJICAWBNEYGZQW-UHFFFAOYSA-N 347.462 4.500 0 40 EIAB CC[C@H](C)Sc1ccc(NC(=O)N2CCC(CO)CC2)c(C)c1 69564029 RIHRKDOWBFHFKH-AWEZNQCLSA-N 336.501 4.122 0 40 EIAB O=C(CCc1cccs1)N(Cc1ccccc1)CC1CCOCC1 69810136 MOJIDEXBRCWRCD-UHFFFAOYSA-N 343.492 4.136 0 40 EIAB Cc1cc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(N)c1 70462891 DJFHTFQXDNKPJP-UHFFFAOYSA-N 332.831 4.335 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)no1 71846794 NXALZTGYIYYABN-INMHGKMJSA-N 330.815 4.104 0 40 EIAB CCN(C(=O)CCCOC)[C@H](c1ccc(Cl)cc1)c1ccccn1 75137858 MBFAAWRVNXVMAB-LJQANCHMSA-N 346.858 4.100 0 40 EIAB CCN(C(=O)N[C@@H](C)c1c(F)cccc1OC)[C@@H](C)c1cccnc1 78946987 NZJRMVOQOGOZRN-KBPBESRZSA-N 345.418 4.083 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2)c1Cl 95117427 QXLGQCYIXJXOGN-UHFFFAOYSA-N 333.725 4.056 0 40 EIAB Cc1nc(NCc2ccnc3ccccc23)c2cnn(C(C)(C)C)c2n1 95426310 ILPWULCBDMWEEV-UHFFFAOYSA-N 346.438 4.050 0 40 EIAB CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1cccc(F)c1 96388333 MOOXHOPUFYLVPA-HNNXBMFYSA-N 329.396 4.158 0 40 EIAB CC[C@@](C)(NC(=O)Nc1cccc([C@@H](C)OC)c1)c1nccs1 96418040 UYUPUGMTHBVDGR-SJKOYZFVSA-N 333.457 4.297 0 40 EIAB COCc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(C)o1 96434004 CVBBEWWYLBYDTM-INIZCTEOSA-N 346.452 4.056 0 40 EIAB Nc1c(Cl)cc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1Cl 97117699 PPCBVKLXMWFDEP-CYBMUJFWSA-N 328.243 4.372 0 40 EIAB CCOc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1 101028815 AKVDNAPAHBKDSU-LJQANCHMSA-N 332.407 4.041 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 103019350 KVDPCLPTKHATSA-ZACQAIPSSA-N 346.902 4.123 0 40 EIAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 106697433 OBKBHTURAXRVGX-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB CSCc1ccccc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 184746322 ZAVGSYCWDZQNPL-WMLDXEAASA-N 336.501 4.122 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1F 225393687 WIDBPDYPDAJGLX-AWEZNQCLSA-N 329.415 4.321 0 40 EIAB O=C(NCc1ccc(-c2cccnc2)nc1)Nc1ccccc1Cl 225766223 QOZADNLXUAWIAI-UHFFFAOYSA-N 338.798 4.119 0 40 EIAB CC(C)[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc2c(c1)OCCCO2 248239750 NZVJOVWXGCKQFU-FIYPYCPBSA-N 343.467 4.097 0 40 EIAB COc1ccc(CSCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408563343 LNSPSMLHUQXBQQ-INIZCTEOSA-N 343.492 4.066 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]21 408623785 RZZJKSBUQYFXAX-RPVFDAQASA-N 348.229 4.251 0 40 EIAB CCCCN1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O 409126912 BVSDQKUBWPJINJ-WJDWOHSUSA-N 328.437 4.498 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2cccc3[nH]ccc23)c1 508512454 ZAWOXAWTVLEYCD-UHFFFAOYSA-N 345.196 4.191 0 40 EIAB CCc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 618256075 FGSZWJAHVQDKFM-CYBMUJFWSA-N 335.455 4.360 0 40 EIAB Cc1cc([C@@H](C)NC(=O)NCc2nc(C(C)(C)C)co2)c(C)s1 1119964505 IMIORIDVBCLILN-LLVKDONJSA-N 335.473 4.211 0 40 EIAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 82664 KMTUAPGWCIUDDI-CQSZACIVSA-N 336.387 4.396 0 40 EIAB biogenic CCn1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O 148874 HJYOGRBMQSRKJE-UHFFFAOYSA-N 349.253 4.216 0 40 EIAB CC(C)N1C(=O)N(c2cccc3ccccc23)[C@@](C)(O)CC1(C)C 494310 KGCSPJMRDSVBJL-FQEVSTJZSA-N 326.440 4.367 0 40 EIAB COc1c2c(c3c(c1CCC(=O)O)OC(C)(C)C=C3)OC(C)(C)C=C2 1730932 KSLHMLXPQDTMJX-UHFFFAOYSA-N 344.407 4.081 0 40 EIAB biogenic,in-vitro CC[C@@H](CN(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1 2023259 MLDAYGZPPRLGLE-FQEVSTJZSA-N 339.479 4.482 0 40 EIAB CCC[C@@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O 2376317 YCUHFIHBHFPYSH-ZDUSSCGKSA-N 332.425 4.030 0 40 EIAB O=C(c1cccc(CN2CCC2)c1)c1ccc(Br)cc1F 2515135 CMCLVIFVHYOHMD-UHFFFAOYSA-N 348.215 4.025 0 40 EIAB Cc1ccc(C(=O)c2cccc(CN3CCSCC3)c2)cc1C 2515292 BAKUOJWYTJGWTD-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)o2)c1C 2622424 UBDHMCMSTKZJGM-UHFFFAOYSA-N 345.424 4.133 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)cc2Cl)c1C 2656506 CTPFLNRNPZEXNJ-UHFFFAOYSA-N 340.206 4.498 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1OCC 3434454 RWVJYUXCXSTLLS-AWEZNQCLSA-N 328.412 4.367 0 40 EIAB Cc1cccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)c1 4120056 DNUNYWJNQRYZIY-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 4251571 GNCJHPAMBMBVCO-KRWDZBQOSA-N 347.443 4.338 0 40 EIAB CC(C)/N=C1\S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C(C)C 6324869 BRYXIXRNTQPSOM-QWTILCQQSA-N 338.860 4.135 0 40 EIAB CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 6648247 ROCZIHXYRFXZLK-MRXNPFEDSA-N 349.434 4.151 0 40 EIAB CC(C)c1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1 6876690 YBXZSUDGBPEIHV-UHFFFAOYSA-N 340.379 4.213 0 40 EIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)NC1CCCCC1 8165461 SYRBOWOXSXGXIV-UHFFFAOYSA-N 326.444 4.217 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)Cc1cccc(C(F)(F)F)c1 8718970 KCDHHPHKEPZFCF-LBPRGKRZSA-N 337.341 4.134 0 40 EIAB Cc1ccccc1CSCCNC(=O)Cc1ccc(Cl)cc1 10331468 VBWXZADPBMEJIH-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB CCC[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccccc1 11238847 KAKOHRJRLAKHDK-HNNXBMFYSA-N 327.453 4.214 0 40 EIAB CCCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(C)C 11565998 ZFLYLQJSDCEFKL-UHFFFAOYSA-N 348.468 4.185 0 40 EIAB c1cncc(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)c1 12338411 SIKDFLYIBJNBKN-UHFFFAOYSA-N 345.431 4.274 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(F)(F)F)C1 12942056 DHVLVXYOEKKURT-ZDUSSCGKSA-N 338.329 4.065 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13708956 ZUFGFIZZWZBMND-CQSZACIVSA-N 349.386 4.032 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1cnn(Cc2ccccc2)c1 14796891 PIZWGXNSKZLQJS-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1Cl 15361021 ATYZVPZYEWAGCX-JTQLQIEISA-N 325.742 4.333 0 40 EIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccncc2C)cc1 19239554 WHHIBUCIOMXLPE-LRSLUSHPSA-N 336.479 4.461 0 40 EIAB C[C@H](O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 22108663 VLDFAGCUTFJALJ-HNNXBMFYSA-N 339.410 4.471 0 40 EIAB COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c(OC)c1 22284721 DZGJOCKBOGBJBA-SFHVURJKSA-N 347.842 4.484 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 22464597 CQFJIZYZIARKAP-UHFFFAOYSA-N 336.435 4.182 0 40 EIAB COc1cccc(CCC(=O)NCC2(c3ccccc3)CCCC2)c1 22839222 MKGCCVKSQVUAMO-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccnn1Cc1ccccc1 23142248 LXIUXYZATKYHPY-DHZHZOJOSA-N 337.810 4.237 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCCN(C)c2ccccc2)cc1 24589357 KKXBEKOTPINRBL-QGZVFWFLSA-N 342.508 4.118 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2OC)cc1 31820959 ILTSVISMMLIYHC-MRXNPFEDSA-N 349.390 4.013 0 40 EIAB CCOC(=O)c1cccc(NC(=O)C2=Cc3cc(C)ccc3OC=C2)c1 33321277 VTVVRCIOYBWEDE-UHFFFAOYSA-N 349.386 4.100 0 40 EIAB CCCCN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 35042197 XHZNYXFJSRJQPI-FMIVXFBMSA-N 340.242 4.286 0 40 EIAB O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCc2ccccc21 36708159 CUXNZBPDSMXNBB-UHFFFAOYSA-N 345.427 4.494 0 40 EIAB Cc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1 40095275 USUUFAWQNXFRCG-UHFFFAOYSA-N 333.229 4.421 0 40 EIAB Fc1cccc([C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)c1 44976912 MQAONWXSNZURSS-INIZCTEOSA-N 340.427 4.076 0 40 EIAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1nccs1 48976767 AGVIDILRZKMUSQ-UHFFFAOYSA-N 341.870 4.163 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)cc1 50768779 PLWNLIBFKZXQQF-SFHVURJKSA-N 345.446 4.033 0 40 EIAB Cc1cc2nc(SC[C@H](O)c3ccccc3)c3ccccc3n2n1 52427103 HDZTXMCTUXSPSQ-KRWDZBQOSA-N 335.432 4.017 0 40 EIAB CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(C(=O)O)cc1 55175048 LKBVCJBTHRHPRC-UHFFFAOYSA-N 347.480 4.397 0 40 EIAB CC[C@H](C)NC(=O)c1cccc(CNCc2csc(C(C)C)n2)c1 69630537 WLLRHHWCOFRNOT-AWEZNQCLSA-N 345.512 4.085 0 40 EIAB CC(=O)N(C)c1nc(CS[C@@H]2CCCc3ccccc32)cs1 71892684 JODLEFPCBDSVOX-MRXNPFEDSA-N 332.494 4.437 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)NCCCCN(C)c2ccccc2)C1(C)C 72017274 ZCPAHDQDKSFPLY-RTBURBONSA-N 328.500 4.258 0 40 EIAB Cc1noc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 72049642 QPLCTYRHOBCQAV-ZWNOBZJWSA-N 347.484 4.082 0 40 EIAB CCN(CC)C[C@H]1CCN(C(=O)Nc2cccc3ccccc23)C1 75537849 GVDPCUKRJSJXQK-MRXNPFEDSA-N 325.456 4.035 0 40 EIAB Cc1ncc(CNCc2coc(-c3ccccc3)n2)n1-c1ccccc1 84047516 JXOCGLYEGOPGKS-UHFFFAOYSA-N 344.418 4.126 0 40 EIAB N[C@@H](c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl 95079914 VVBJXQJIAVQARJ-SFHVURJKSA-N 346.821 4.393 0 40 EIAB CCOc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1 95095052 LSTWZCHHYQSDOB-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB Cc1cc([C@H](NCc2nc(-c3ccoc3)no2)C(C)C)c(C)s1 95462599 VUBKAJBQDYZFRH-MRXNPFEDSA-N 331.441 4.495 0 40 EIAB C[C@](O)(CN1CC=C(c2cncc3ccccc23)CC1)c1ccccc1 96012871 QHTDTDNNVRXTII-QHCPKHFHSA-N 344.458 4.232 0 40 EIAB Cc1ccccc1[C@H](C)CC(=O)N1CCC(OC2CCCC2)CC1 96407212 KRVPADKSPZXELH-QGZVFWFLSA-N 329.484 4.439 0 40 EIAB c1ccc(Oc2ccc(CN[C@@H]3CCO[C@]4(CCSC4)C3)o2)cc1 97236023 VVBSSJGZIGDNHO-DNVCBOLYSA-N 345.464 4.216 0 40 EIAB CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102685211 IVRCDGNYIZKABM-YPKPFQOOSA-N 332.403 4.407 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(Cl)s1 206943003 WZGZCBGHKDESQM-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB CCc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222579723 XOWHWPZFNUSSBU-UHFFFAOYSA-N 335.382 4.406 0 40 EIAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1C1CCCCC1 223080755 QPEPFGSXJOSASY-DLBZAZTESA-N 343.521 4.448 0 40 EIAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl 225093350 ICRFDBYXCBMLDG-CQSZACIVSA-N 344.716 4.434 0 40 EIAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(F)c(Cl)c1 225782670 BVWCVPNVAQLZQA-LLVKDONJSA-N 338.835 4.233 0 40 EIAB CCc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225850354 XVECWUGCSNNZRG-UHFFFAOYSA-N 325.481 4.400 0 40 EIAB Cc1ccc(N(C)C(=O)c2sc(-c3cccnc3)nc2C)cc1C 225859509 YMACGWRFEUZDIT-UHFFFAOYSA-N 337.448 4.407 0 40 EIAB Cc1c(-c2nnc(SCc3ccccc3)o2)sc(=S)n1C 524734326 TUVMVFWEHYCXFU-UHFFFAOYSA-N 335.479 4.467 0 40 EIAB Oc1ncc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)c2ccccc12 1657765900 AZJIKHBQOUKANZ-NHCUHLMSSA-N 348.446 4.029 0 40 EIAB O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccccc1 387220 AAACRICHUXXDSQ-UHFFFAOYSA-N 326.446 4.155 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OC 2127286 FEVPDXFNJVJJEL-CQSZACIVSA-N 339.435 4.074 0 40 EIAB CN(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)(C)C 2224179 SUZPZFIHBRSYJQ-UHFFFAOYSA-N 339.435 4.198 0 40 EIAB CCOC(=O)c1c(C)n(CCCOC)c2c1cc(O)c1ccccc12 2503714 ASXJLHNVGKEJOB-UHFFFAOYSA-N 341.407 4.022 0 40 EIAB O=C(NCc1ccc(F)cc1)c1ccccc1OCc1ccccc1 2645021 LNWRQVRRFSSJHN-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB O=C(/C=C/c1ccco1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3320935 FMOHYMVSKQQLFF-MDZDMXLPSA-N 344.366 4.290 0 40 EIAB COc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 3386553 KPSIIPRVOGGYOY-UHFFFAOYSA-N 340.467 4.198 0 40 EIAB COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cccnc3)c(C)c2c1 4000499 KLTQAXGPJYPQGP-IBGZPJMESA-N 349.434 4.247 0 40 EIAB biogenic FC(F)(F)c1cc(Cl)c2nc(-c3ccc4c(c3)OCO4)cn2c1 4025189 YTSHJTSRZAUFTQ-UHFFFAOYSA-N 340.688 4.402 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)NCCC1=CCCCC1 5034034 PEBIQSZWLHHMEG-ZDUSSCGKSA-N 330.453 4.315 0 40 EIAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc(O)c1 5376182 OGLXCDXIKGIQGL-PXNMLYILSA-N 336.372 4.114 0 40 EIAB CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 5392419 PGDZRAUURNSZPR-UHFFFAOYSA-N 341.208 4.024 0 40 EIAB O=C(COc1ccccc1)Nc1nc2c(ccc3ccccc32)s1 6218205 AYTRBIVBGRBUCG-UHFFFAOYSA-N 334.400 4.467 0 40 EIAB Clc1ccc(CSc2nc(-c3cccnc3)n[nH]2)c(Cl)c1 6557448 YCIOIUAOVHLOCZ-UHFFFAOYSA-N 337.235 4.466 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)c1nc(Cl)ccc1Cl 6579422 ODNUNXIOAYYQRL-UHFFFAOYSA-N 342.182 4.390 0 40 EIAB COC(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 6914298 NOSALHYNWJNOOD-UHFFFAOYSA-N 345.398 4.321 0 40 EIAB Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccc2ccccc2c1 11612456 PRDRVSDZGXMSCP-UHFFFAOYSA-N 345.398 4.147 0 40 EIAB COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 11644860 WBTJTLBNBUBDFS-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB S=c1n(-c2ccccc2)cnn1CN1CCC[C@@H]1c1ccccc1 12564589 OMSSFSQTJVJCKN-GOSISDBHSA-N 336.464 4.198 0 40 EIAB COc1cc(/C=C/C(=O)N(C)Cc2ccccc2)ccc1OC(C)C 12783731 KXUWSEBOUUQCAF-ACCUITESSA-N 339.435 4.154 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 12795001 WYIPYXHMQMJBBM-CQSZACIVSA-N 329.421 4.123 0 40 EIAB COC(=O)c1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1Cl 12893737 LGVLQKMUFGZCAO-HNNXBMFYSA-N 343.810 4.185 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14396372 FFTIMSAIFPKBMC-LSDHHAIUSA-N 331.843 4.245 0 40 EIAB Cc1nn(-c2nc3ccccc3o2)c(O)c1Cc1cccc(Cl)c1 14607875 BWAVYBHNRYAUPA-UHFFFAOYSA-N 339.782 4.272 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 18702465 XSECJOZWJMZXBG-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB Cc1cc(-c2cncnc2)cc(C2CCN(C[C@@H]3CC=CCC3)CC2)n1 19692133 RDUVAKRBLOMKBQ-GOSISDBHSA-N 348.494 4.383 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(Cl)cc1 20807928 IIGQKADLPCRSHU-WEVVVXLNSA-N 329.812 4.305 0 40 EIAB NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 20896980 ZIDAZOUBLFPCEP-UHFFFAOYSA-N 347.374 4.222 0 40 EIAB CCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1 27744793 HDCFABBGCMNNDO-UHFFFAOYSA-N 336.391 4.013 0 40 EIAB CC[C@@H]1CSc2n1c(-c1ccc(OC)cc1)c[n+]2-c1ccccc1 27788669 RZXYKMSZAVQCRX-MRXNPFEDSA-N 337.468 4.497 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)c1c[nH]nc1-c1ccccc1 29113282 GFFCBXGXGDXFBZ-UHFFFAOYSA-N 338.367 4.078 0 40 EIAB COCCNc1nc(SCc2cccc(F)c2)nc2ccccc12 33825609 ZVYATPBKPGKNQO-UHFFFAOYSA-N 343.427 4.120 0 40 EIAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(N)cc1Cl 40308040 ZCZFZGUMARQFML-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB CCOC(=O)CCCCCC(=O)c1cccc(CN2CCCCC2)c1 43211115 KWAJOEZMDQDIFR-UHFFFAOYSA-N 345.483 4.369 0 40 EIAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCc2ccccc21 44850464 NZVUFSOADARUKH-UHFFFAOYSA-N 333.366 4.167 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C 48355650 AMHTYSMKMZIUOP-RBUKOAKNSA-N 327.468 4.337 0 40 EIAB CCCCCOc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1OC 48518024 MRMKLQXWABNQOS-AWEZNQCLSA-N 346.427 4.052 0 40 EIAB O=C(Nc1cccc(F)c1F)c1ccn(-c2ccccc2Cl)n1 50354623 FFXDIYLYRGLRQP-UHFFFAOYSA-N 333.725 4.056 0 40 EIAB CCCc1nc(C)c(C(=O)Nc2ccc3oc(CC)nc3c2)s1 58114922 OVHCHMDEQOVZOZ-UHFFFAOYSA-N 329.425 4.360 0 40 EIAB CCOc1ccc([C@@H]2CC(c3ccc(CC)cc3)=NN2C(C)=O)cc1 58196756 OCRPIGWVNWANMA-NRFANRHFSA-N 336.435 4.345 0 40 EIAB CSc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 60580940 RBBMMFHNAARJDR-QGZVFWFLSA-N 340.492 4.259 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 65521676 OPGIEPXGIYIFJT-CQSZACIVSA-N 343.471 4.189 0 40 EIAB Fc1ccc(C2(NCc3ccc(Cl)s3)CCOCC2)cc1 69589464 VQNZRRXCURDMNN-UHFFFAOYSA-N 325.836 4.336 0 40 EIAB CCOc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC 72331408 QDZAGCZPKGATFH-UHFFFAOYSA-N 341.451 4.321 0 40 EIAB COc1cccc(-c2noc([C@H]3CCN(CC4CCCCC4)C3)n2)c1 72369880 IMNJYMKFSXOLSF-KRWDZBQOSA-N 341.455 4.115 0 40 EIAB C[C@H](c1ccccc1F)N(C(=O)NCc1cccc(F)c1)C1CC1 75094249 GEBSLHIPDAJLCO-CYBMUJFWSA-N 330.378 4.400 0 40 EIAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCCCC3)c(C)c12 75572183 CCBYSYSVQSTDEO-UHFFFAOYSA-N 341.436 4.194 0 40 EIAB O=C(Nc1cccc(OCc2nccn2C(F)F)c1)c1cccs1 84374584 CSJMSTMNCDQMOS-UHFFFAOYSA-N 349.362 4.171 0 40 EIAB Cc1cccc(C(=O)c2ccccc2CN2CCSCC2)c1C 85651658 MVKIGSPTBMCJKN-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB COCCn1ccc2ccc(C(=O)Nc3cccc4[nH]ccc34)cc21 85878998 GABGEBHTXCATOM-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB biogenic CCSc1ccccc1[C@@H](C)NCc1cccc(C(=O)NC)c1 95420970 MKHBVRYRUMBZIG-CQSZACIVSA-N 328.481 4.009 0 40 EIAB Cc1c(NCc2nnc(-c3ccc(F)cc3)o2)cccc1OC(F)F 95972153 IWMBYFHOJGCLFA-UHFFFAOYSA-N 349.312 4.398 0 40 EIAB CC(C)c1cnc(-c2ccc(NC(=O)N3CCOCC[C@@H]3C)cc2)o1 95984798 FQODKCUQJBRPAB-AWEZNQCLSA-N 343.427 4.108 0 40 EIAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1occc1C 96484083 PIFBMWXFYHYCFU-UHFFFAOYSA-N 330.384 4.496 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cc(C)oc2C)o1 97161849 HKUNMSQQWAECSU-CXAGYDPISA-N 346.427 4.244 0 40 EIAB CC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccncc1 180790327 IKXMSANZELNMLO-HQSKLWIPSA-N 345.487 4.053 0 40 EIAB CSc1ncccc1C(=O)N1CCS[C@@H](c2ccccc2)CC1 206989017 IQNYRLCWNNDNKD-MRXNPFEDSA-N 344.505 4.124 0 40 EIAB CC(C)Oc1ccc(NC(=O)CSCc2ccccc2F)cc1 222703243 HALVBQTXAANTEI-UHFFFAOYSA-N 333.428 4.485 0 40 EIAB Cc1cccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224991440 HMSGIVZCZDCIPH-UHFFFAOYSA-N 347.842 4.001 0 40 EIAB CCCSc1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 225390873 NRLHJUZPJCRFOQ-SNVBAGLBSA-N 339.511 4.160 0 40 EIAB Cc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)nc1 225872410 ILBVWWIUWDVRJN-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccccc1OC 408679721 KMNCFOGEPXHROV-AWEZNQCLSA-N 327.424 4.226 0 40 EIAB c1cc([C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)n2ccnc2c1 585182573 UCWUNHNDSWOZEE-GOSISDBHSA-N 330.435 4.195 0 40 EIAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(C)cc2)cc1 585319717 OUQFKGMVSUFUPE-WCRBZPEASA-N 335.447 4.444 0 40 EIAB O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc(-c2ccccc2)cc1 1126674300 WDBKTWROYNDCFV-QFIPXVFZSA-N 348.490 4.348 0 40 EIAB CC(C)(C)OC(=O)N[C](CC(=O)O)Cc1ccc(Cl)c(Cl)c1 1560407645 JCWVBGCBMCKNMW-UHFFFAOYSA-N 347.218 4.067 0 40 EIAB CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1 1857596506 RSUVYMGADVXGOU-UHFFFAOYSA-N 340.492 4.382 0 40 EIAB CC(C)c1nc2ccccc2n1C1CN(C(=O)CC2CCCC2)C1 1888866756 HLMSIDVJIZMEAP-UHFFFAOYSA-N 325.456 4.123 0 40 EIAB CCOc1ccc(C(=O)C[C@H](Sc2ccc(C)cc2)C(=O)O)cc1 44800 OUFNCLQTZLIOIN-SFHVURJKSA-N 344.432 4.212 0 40 EIAB COC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 132273 WUGPPVYKUIZTDF-SNVBAGLBSA-N 330.434 4.012 0 40 EIAB COc1ccccc1-n1cnc2cc(NCc3ccccn3)ccc21 2331518 IUJPDVZDICNJJO-UHFFFAOYSA-N 330.391 4.041 0 40 EIAB CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 2527047 RQALVIYDMVWHIV-QGZVFWFLSA-N 333.790 4.146 0 40 EIAB O=C(Nc1ccccc1Br)c1cnc(Cl)c(Cl)c1 2632679 OGGCOJVDOOBNPU-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB O=C(COC(=O)c1cccc2ccccc12)NC1CCCCCCC1 3307648 HEMJXLRYCVEDLW-UHFFFAOYSA-N 339.435 4.226 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)s1 4330220 RDBHSYNXFKRTRP-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCc2ccccc21 5442951 FBEBPUPEHKCVIR-KRWDZBQOSA-N 333.353 4.442 0 40 EIAB O=C(c1ccccc1)c1ccc(OCC(=O)c2ccccc2F)cc1 5508001 LWXADIIRRGELDB-UHFFFAOYSA-N 334.346 4.318 0 40 EIAB Cc1cccc(C)c1OCC(=O)NCc1ccc(Cl)cc1Cl 6284453 DPEKOMBVLFTDDD-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccco2)cc1C 6747364 CKLWAYAZYLEZTB-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB CC(C)n1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7425143 AOUNFLFFRIDJPB-AWEZNQCLSA-N 337.398 4.277 0 40 EIAB O=C(O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 7603917 JDRIFSXDZSYVIT-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB COC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 7779113 ASALGFJPUMTPNY-UHFFFAOYSA-N 330.434 4.246 0 40 EIAB COCCNc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 7843531 OQFDYFBPBGDMTQ-UHFFFAOYSA-N 341.480 4.335 0 40 EIAB CCSc1nnc(NC(=O)[C@H](C)Sc2ccc(C)cc2)s1 8269117 KNQDDNAGZBNANJ-JTQLQIEISA-N 339.511 4.078 0 40 EIAB Nc1c(C(=O)c2ccccn2)sc2nc(-c3ccccc3)ccc12 12249802 ZLBJOZRCYWLHNB-UHFFFAOYSA-N 331.400 4.172 0 40 EIAB C[C@H](c1ccccc1)N1CNC(=S)N(c2ccccc2Cl)C1 12401913 POYHUBOZTGTCIB-CYBMUJFWSA-N 331.872 4.013 0 40 EIAB O=C(Cc1cn2ccsc2n1)Nc1ccc2oc3ccccc3c2c1 12530675 IDAGKXVWDBOWKM-UHFFFAOYSA-N 347.399 4.476 0 40 EIAB Cc1ccc(NCC(=O)N2CCSc3ccccc32)c(Cl)c1 12864892 DSAGXZMHFIMDJD-UHFFFAOYSA-N 332.856 4.199 0 40 EIAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(Cl)c1Cl 12932172 HVXVDKDLEUEBJU-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1Cl 12998682 NRLRAMWTSXVYJC-UHFFFAOYSA-N 341.838 4.108 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Cl)cc1 13096118 DGIYNNPLAZIESB-CYBMUJFWSA-N 344.842 4.002 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 14109361 YXFLVBFGLWQYFI-GUYCJALGSA-N 345.439 4.255 0 40 EIAB C[C@H]1CCc2c(sc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 15085209 UJBJCNMGWPCYBR-GWCFXTLKSA-N 341.432 4.076 0 40 EIAB CCCc1nc2c(-c3ccc(OC)cc3)c(C)nn2c(O)c1Cl 18240683 KAOVCGUMTSUALW-UHFFFAOYSA-N 331.803 4.025 0 40 EIAB Cc1ccc(-c2cc([C@H]3CCN(C4CCSCC4)C3)n[nH]2)cc1 19212108 MDXDDDHFOVMTBG-INIZCTEOSA-N 327.497 4.070 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)C(C)C)cc1 19310870 ZHTJOPQMZDNLLZ-UZLBHIALSA-N 341.451 4.284 0 40 EIAB CCc1ccc([C@@H]2SCC(=O)N2Cc2ccc(OC)cc2)cc1 19927152 WPJUZAACUWEKAF-IBGZPJMESA-N 327.449 4.032 0 40 EIAB O[C@@H](CNCc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 19990577 XPNTXPOZXFWYIQ-SFHVURJKSA-N 327.811 4.423 0 40 EIAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1 20025660 QCUIARYFHPKYMF-VIFPVBQESA-N 340.167 4.218 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20030218 LTMOIYDUAKMGGI-BLXFFLACSA-N 327.449 4.308 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1ccccc1Cl 20430100 MLDGIKORKSJIKJ-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN([C@@H](C)c1ccccc1)C3 20610200 UAWDMSXWKSKYAG-AWEZNQCLSA-N 335.403 4.269 0 40 EIAB biogenic COc1cccc(NC(=O)c2cccnc2Nc2ccc(C)cc2)c1 22072090 IGDORXKLKQVGNO-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(C)n(-c2cc(C)on2)c1C 22839934 OVJRKAYFBGJGPC-UHFFFAOYSA-N 339.395 4.042 0 40 EIAB O=C1Cc2cc(-c3csc(Nc4ccc(F)cc4F)n3)ccc2N1 25062780 YKZQARXRKQMYLU-UHFFFAOYSA-N 343.358 4.327 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 28231171 RSQAWUBGDGUHSR-UXHICEINSA-N 345.446 4.290 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccs3)cs2)o1 28427148 LZJYWUPMTPSRBY-LLVKDONJSA-N 332.450 4.193 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)NC12CC3CC(CC(C3)C1)C2 32909024 DFQXFLWSAFQWLI-UHFFFAOYSA-N 342.464 4.031 0 40 EIAB O=C1C[C@@H](c2cccnc2)c2snc(-c3ccc(Cl)cc3)c2N1 35316452 IMXLIXHZWQJSOK-ZDUSSCGKSA-N 341.823 4.333 0 40 EIAB O=C(NCc1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 43394357 GQDJYKAPKYKNNI-UHFFFAOYSA-N 344.827 4.180 0 40 EIAB COc1ccc([C@H]2CCCCCN2Cc2nnsc2Cl)cc1 48368070 AJYQAXZRIXWPRY-OAHLLOKOSA-N 337.876 4.317 0 40 EIAB c1ccc2ncc(CN3CC[C@H](c4nc5ccccc5[nH]4)C3)cc2c1 49169031 RXCMTLZGJFIYIZ-KRWDZBQOSA-N 328.419 4.101 0 40 EIAB biogenic,in-vitro CCCOc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 51785011 UVLDDWNESBLITL-UHFFFAOYSA-N 349.228 4.072 0 40 EIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 58161096 KTMIAAHNVOOMBQ-CYBMUJFWSA-N 328.418 4.394 0 40 EIAB CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 60376140 DPMVEZCHJVTKKC-IRXDYDNUSA-N 345.874 4.009 0 40 EIAB C[C@@H]1C(=O)CCN(CC(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 61931295 GIHFVUHAZSIUAO-IVZQSRNASA-N 346.430 4.003 0 40 EIAB O=C(Nc1cccc2cccnc12)N1CCC(Nc2ccccc2)CC1 62427856 YCSBDQICUGIJAN-UHFFFAOYSA-N 346.434 4.343 0 40 EIAB Cc1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2C)c1 63790286 SFIVQDWMYMDILS-INIZCTEOSA-N 328.481 4.366 0 40 EIAB CCCn1cc(C(=O)OCc2ccnc(Cl)c2)c2ccccc21 65594411 QXECXPFHVSFBAE-UHFFFAOYSA-N 328.799 4.457 0 40 EIAB CC(C)CCSCC(=O)N[C@@H](C)c1nc(-c2cccnc2)cs1 69696605 NSKNFZHBKNRBHZ-ZDUSSCGKSA-N 349.525 4.162 0 40 EIAB Cc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 71911682 DAPGXQOUCOUGBX-ROUUACIJSA-N 329.488 4.113 0 40 EIAB CC[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(C)c1)c1nccs1 71915963 QXPHKHQZPHGZAR-OAHLLOKOSA-N 344.484 4.325 0 40 EIAB CCSc1cncc(N[C@H](C)c2ccc(-c3cncnc3)cc2)n1 75064320 BKKMUWFELUVHCN-CYBMUJFWSA-N 337.452 4.219 0 40 EIAB CC(C)(C)c1nnc(NC[C@@H](c2ccco2)N2CCCCC2)s1 84325420 OGQZNCCAVMDQGT-ZDUSSCGKSA-N 334.489 4.068 0 40 EIAB CSC(C)(C)CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F 95423531 SSCZKMBUFLZEBG-NSHDSACASA-N 348.434 4.154 0 40 EIAB Cc1coc(-c2cc(NCc3nc4ccccc4n3C)ccc2C)n1 95429384 CWWKKAOJNQNRIN-UHFFFAOYSA-N 332.407 4.457 0 40 EIAB C[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 96478553 LMXZPOPDEIHEAL-SCLBCKFNSA-N 341.480 4.072 0 40 EIAB C[C@@H](OC(=O)[C@@H]1CC1(Cl)Cl)c1nc2ccccc2n1C(F)F 97010012 LDFRMINIFRRKCQ-SFYZADRCSA-N 349.164 4.229 0 40 EIAB O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(-c2ccccc2)cc1 104024087 LJSADSNUVDTLSB-IBGZPJMESA-N 342.398 4.418 0 40 EIAB CN1CCO[C@]12CC[C@@]1(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]31)C2 118936561 ZCHJSKRKWQBWAB-JOFXYRRGSA-N 347.543 4.048 0 40 EIAB Oc1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 169796852 NWTFTNXWFQXLHV-UHFFFAOYSA-N 325.002 4.072 0 40 EIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219957423 JSGJDJMBDIBATC-GOSISDBHSA-N 339.435 4.426 0 40 EIAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224681100 OSVGCYBQAHJSMR-UHFFFAOYSA-N 345.464 4.223 0 40 EIAB Cc1ccccc1CSCCNC(=S)Nc1ccc(F)cc1 225360762 MEIROJZFRWOWFN-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB Fc1cccc(F)c1NC(=S)NCCCSCc1ccco1 225594139 KFFQCYIINYBHOD-UHFFFAOYSA-N 342.436 4.168 0 40 EIAB CCOc1cc(NC(=O)c2ccc(Cl)cc2)cc2sc(N)nc12 226309992 MUCDDEPFMWNBIB-UHFFFAOYSA-N 347.827 4.183 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2)o1 252581877 UKISCLLGHDCSJC-ISTRZQFTSA-N 340.427 4.230 0 40 EIAB Cc1cc(-c2nc(C)c(C)s2)nc(CC2CCN(C(C)C)CC2)n1 257215190 CPCRTLNJLXUYOS-UHFFFAOYSA-N 344.528 4.188 0 40 EIAB O=C(O)[C@H]1CN[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)S1 408979180 POEFQJXNTOMDOP-YPMHNXCESA-N 344.219 4.042 0 40 EIAB COc1ccc(NC(=O)/C=C/c2c(OC)cccc2OC)cc1Cl 409239338 PLUMVVQPPCJPTP-CSKARUKUSA-N 347.798 4.018 0 40 EIAB Cc1cccc(C[C@@H](CO)NCc2cnc(C3CCCCC3)s2)c1 526962901 SJSDUPOSYRXYIX-SFHVURJKSA-N 344.524 4.192 0 40 EIAB COc1cccc2cc(C(=O)NCc3ccc(-c4ccoc4)o3)oc12 575611791 WZXXOOJNTDJUEX-UHFFFAOYSA-N 337.331 4.224 0 40 EIAB FC(F)(F)c1cc(N2CC[C@H](COCc3ccccc3)C2)ccn1 585080995 JTRGPUCFLIYHCF-HNNXBMFYSA-N 336.357 4.144 0 40 EIAB CN(C(=O)c1cccc2cc(O)ncc12)[C@@H]1CCCc2ccccc21 1523290432 FSZQTFZHRNIGSS-LJQANCHMSA-N 332.403 4.090 0 40 EIAB O=C(Nc1ccc(Oc2ccccn2)cc1)c1c[nH]nc1-c1ccco1 1586392940 QGKPHJKABDAERB-UHFFFAOYSA-N 346.346 4.109 0 40 EIAB Cc1cc(O)cc(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 1586682315 MKDQJJXCRRDQHG-OAHLLOKOSA-N 340.206 4.070 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 42803 LDXWVWBTIBPGSJ-JSGCOSHPSA-N 341.238 4.175 0 40 EIAB O=C(Oc1ccc2oc(=O)sc2c1)c1ccc(Cl)cc1Cl 89522 SYRHXBTXCSULKO-UHFFFAOYSA-N 341.171 4.381 0 40 EIAB biogenic COc1ccc(Cl)cc1NC(=O)COc1ccccc1C(C)C 148560 CWRZQWFUUHLZQS-UHFFFAOYSA-N 333.815 4.490 0 40 EIAB CCN(C(=O)c1ccco1)c1nc(-c2ccc(OC)cc2)cs1 418988 RTNONUJJVRKMHI-UHFFFAOYSA-N 328.393 4.078 0 40 EIAB CNc1nc(-c2cccc(Br)c2)nnc1-c1ccccc1 978201 VUOBBKZVVSKILE-UHFFFAOYSA-N 341.212 4.010 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1c(Cl)cccc1Cl)OC2=O 1127457 VEHLFGATGHRFOT-HZPDHXFCSA-N 342.222 4.054 0 40 EIAB Cc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)cc1C 1369691 LVWKBDNUMXTIGX-OALUTQOASA-N 343.540 4.138 0 40 EIAB COc1cccc(C(=O)N2c3cc(C)ccc3OC[C@H]2C(C)(C)C)c1 1393792 DRSKAAGCWWQPRO-IBGZPJMESA-N 339.435 4.458 0 40 EIAB COC(OCCN1CCCCC1)(c1ccccc1)c1ccccc1 1593600 UBLLPQUSFVAOFX-UHFFFAOYSA-N 325.452 4.037 0 40 EIAB Cc1nc2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2s1 2640664 BYQJNXRXXFOIHH-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB CCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721481 YZUJQRNWNNIJMW-UHFFFAOYSA-N 341.842 4.072 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2ccccc2)cc1 3552748 JUFLRDQEKDWLTI-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB C[C@@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 4416234 IVQGMURVQGDFDP-YSIASYRMSA-N 327.468 4.154 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(C(F)(F)F)cc1 5440613 FVADGBJZKJGOOT-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB CC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 5519837 RGUFSCDXBQXTRG-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB COC(=O)c1ccc(CSc2nccn2-c2ccc(C)cc2C)o1 6025218 LZJJXGCIPZNCDQ-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C)c1CC 6123497 GRPMVBSCCAUOSQ-UHFFFAOYSA-N 331.437 4.356 0 40 EIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 7003172 AECRKWDWGGQOHJ-KRWDZBQOSA-N 349.478 4.067 0 40 EIAB Cc1ccc([C@H](NC(=O)COc2ccccc2)c2cccs2)cc1 7739626 BGIOXAKXQCFTDC-FQEVSTJZSA-N 337.444 4.341 0 40 EIAB S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1[C@H]1C[C@H]2CC[C@@H]1C2 8996476 OSFZORVBUDRRDS-GHJWDPDVSA-N 337.452 4.359 0 40 EIAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c(OC)c1 9315294 PJHUWMVDBKPNET-ZIAGYGMSSA-N 331.799 4.099 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 9449353 MROIOSSDUWDVPY-UHFFFAOYSA-N 329.208 4.266 0 40 EIAB CC(=O)Nc1ccccc1OCc1nc(-c2cccs2)oc1C 10566277 FIRSWIKFZYHNBM-UHFFFAOYSA-N 328.393 4.249 0 40 EIAB c1ccc(Cn2cc(CNc3ncccn3)c(-c3ccccc3)n2)cc1 11607222 IVADNHGCKDYLSN-UHFFFAOYSA-N 341.418 4.001 0 40 EIAB O=C(Nc1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1 12506579 UHMORVYSVHQVPN-UHFFFAOYSA-N 343.386 4.166 0 40 EIAB c1ccc(C[C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 12777970 DNOIOFCZRLEFTP-HNNXBMFYSA-N 325.437 4.005 0 40 EIAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2N1 12931295 YTZDDGJBHRZQJV-NSHDSACASA-N 335.190 4.058 0 40 EIAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(CC(C)C)cc1 14232192 FHTBPIRYELFIKE-UHFFFAOYSA-N 343.492 4.335 0 40 EIAB Nc1ccccc1Oc1nc(Cl)nn1Cc1ccc(Cl)cc1 15869098 KKMBERLWZATSRO-UHFFFAOYSA-N 335.194 4.008 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)Nc1ccc(Cl)cc1 18176830 RCHRDOWJQDCORC-UHFFFAOYSA-N 343.858 4.258 0 40 EIAB Cn1ccc([C@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 19291009 IHSPRVZKURKHOO-WRUMOOJNSA-N 341.499 4.080 0 40 EIAB O=C(Cc1ccccc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20137098 GABCTZNTSRTQOC-UHFFFAOYSA-N 341.794 4.274 0 40 EIAB COc1ccccc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20141177 XDSGBIBVZWKYEQ-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20141765 RSEOYQFSHAIUAL-UHFFFAOYSA-N 347.798 4.469 0 40 EIAB CCCCCNc1nc(SC)nc2sc3c(c12)CCN(C)C3 20436636 DKXNFDAPSVEJDG-UHFFFAOYSA-N 336.530 4.003 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cn1 22416246 QRVNIDBTFLSXHB-UHFFFAOYSA-N 338.436 4.284 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)c1cc2c(F)cccc2s1 23146802 HEYCFECXKOBNAL-UHFFFAOYSA-N 339.351 4.343 0 40 EIAB C=C1c2ccccc2NC(=O)N1C[C@@H](c1ccc(CC)cc1)N(C)C 25049779 KALJBNVTWCRNBW-FQEVSTJZSA-N 335.451 4.370 0 40 EIAB O=C(Nc1ccc(-n2ccnc2)cc1)c1cc2c(s1)CCCCC2 29915041 UHERGYLKCBQSBE-UHFFFAOYSA-N 337.448 4.455 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OCc2ccncc2)c(F)c1 32450184 URRTUBWPQFPDEX-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB O=C(Cc1csc(-c2cccs2)n1)N1CCc2sccc2C1 32883749 ZNCNYUFOYNFIKN-UHFFFAOYSA-N 346.502 4.061 0 40 EIAB Cc1ccc(CC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 32930153 OXURPASUUMIISX-UHFFFAOYSA-N 325.305 4.012 0 40 EIAB C[C@H]1CCC[C@H](NC(=O)c2cccnc2SCC(F)(F)F)C1 33184931 QGBMBINMIVZREB-QWRGUYRKSA-N 332.391 4.045 0 40 EIAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)c1 35289757 JMEJAVCGRBYYLP-ZNXRZULTSA-N 343.540 4.138 0 40 EIAB CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccc(Cl)cc1 36628663 MUVBCXUVGRTEHT-UHFFFAOYSA-N 338.794 4.268 0 40 EIAB Cc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1C 37136787 LFLJFLJMGXXWLW-UHFFFAOYSA-N 343.496 4.388 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 40103242 IOANEIPZLFEMKF-AOOOYVTPSA-N 332.778 4.451 0 40 EIAB CCOc1ccc(Oc2ccc(NC(=O)c3cccn3C)cc2)cc1 40160291 BXULEKUMCJPTED-UHFFFAOYSA-N 336.391 4.468 0 40 EIAB O=C(c1cc(-c2cccs2)on1)N1CCSc2ccccc21 41155125 JERJDERAHQMXEL-UHFFFAOYSA-N 328.418 4.156 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2N(C)C)cc1 44082019 DDDRHNJTPZOKSU-GOSISDBHSA-N 339.439 4.130 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2cccc(Oc3ncccn3)c2)s1 46292325 JAKRCMHEVONHAM-CMDGGOBGSA-N 337.404 4.291 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1SC(F)F 48302160 GMWQIMMJZBQMRB-UHFFFAOYSA-N 347.383 4.250 0 40 EIAB COc1ccccc1CNC(=O)c1sccc1-c1ccc(F)cc1 58218321 RJBQLWDUSDQGLM-UHFFFAOYSA-N 341.407 4.493 0 40 EIAB O=C(CNc1ccc2c(c1)Cc1ccccc1-2)NCc1ccc(F)cc1 58356270 ZVYWHRZTZRMAOQ-UHFFFAOYSA-N 346.405 4.125 0 40 EIAB COc1cccc2c(C)c(C(=O)N3CCC[C@@H]3c3cc(C)no3)oc12 69532174 YTDKXSZVPGMSKM-CQSZACIVSA-N 340.379 4.024 0 40 EIAB S=C(Nc1ccccc1Oc1ccccc1)NN1CCCCC1 70013251 MFSSPICJSWFLGO-UHFFFAOYSA-N 327.453 4.166 0 40 EIAB Cc1sc(NC(=O)CN(C)[C@@H](C)c2cccc(O)c2)c(C)c1C 72305157 AXIDNIXTMXECPX-ZDUSSCGKSA-N 332.469 4.010 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N1c2ccccc2CC[C@H]1C 78036927 IJWHEDBVPYDELP-CYBMUJFWSA-N 336.391 4.153 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(Cl)c1 85651252 VZDJOXNOZIMGEI-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB COc1ccc(C)cc1NCCC(=O)N1CCC[C@@H]2C[C@@H](C)CC[C@H]21 89618852 NDVUPQVGBBBQNP-KVSKMBFKSA-N 344.499 4.233 0 40 EIAB COc1cccc2cc(CNCc3cnc(C4CCC4)s3)oc12 95415455 PEZLOYSGZHOGGA-UHFFFAOYSA-N 328.437 4.455 0 40 EIAB C[C@H](CN[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)c(F)c1 95423495 YTTXEOOTKXWBBQ-NSCUQIJASA-N 337.435 4.157 0 40 EIAB C[S@](=O)c1ccc(NCc2cc(Cl)cc3cccnc23)cc1 95428776 OIAQPZMTQDSWAP-JOCHJYFZSA-N 330.840 4.238 0 40 EIAB Fc1cccc(CN2CCC3(CCN(Cc4ccoc4)CC3)CC2)c1 96047229 MFKZKBQTDWMKQM-UHFFFAOYSA-N 342.458 4.297 0 40 EIAB CO[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 96103348 IIWUQDYWSXZNSR-ZDUSSCGKSA-N 344.358 4.276 0 40 EIAB Cc1ocnc1CNC(=O)Nc1c(F)cccc1Oc1ccccc1 96491443 KWOBLXIQTRYDQV-UHFFFAOYSA-N 341.342 4.236 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 96659727 HELZKLNCNHAUHI-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 102159473 AIEJHOKPOVBUOQ-AEGPPILISA-N 338.469 4.217 0 40 EIAB C[C@@H]1CCc2sc(C(=O)/N=c3/sc4ccccc4n3C)cc2C1 104992210 WGIBKXPYGBIBDY-VFGLMNNVSA-N 342.489 4.167 0 40 EIAB C[C@@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 109035259 HZPRINBWEYSSMZ-YQYZPQCESA-N 331.431 4.120 0 40 EIAB Cc1cccc(CCCNC(=O)CSCc2ccc(F)cc2)c1 216446508 IJZJVNLSUAGIRU-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB C[C@H](CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 225134060 CTOVXEOURMQADO-IAGOWNOFSA-N 337.463 4.253 0 40 EIAB COCCN(Cc1ccoc1)C(=O)c1ccc(-c2ccsc2)cc1 225622750 WVPYFQITOQBACG-UHFFFAOYSA-N 341.432 4.297 0 40 EIAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3ccccc3o2)c1 226284489 VSIRIGZRPSHZBV-UHFFFAOYSA-N 334.297 4.410 0 40 EIAB CC(C)c1oc([C@@H]2CCCN2CCC(=O)O)nc1-c1ccccc1 262884408 WGGDGLVUIUHZLW-HNNXBMFYSA-N 328.412 4.077 0 40 EIAB CC(C)C[C@H](c1nc([C@@H](C)c2cccs2)no1)N1CCCCC1=O 273780393 DOGABJDNPNXSPF-UONOGXRCSA-N 347.484 4.383 0 40 EIAB O=C(c1ccc(Br)cc1OC(F)(F)F)C(F)(F)F 575362660 SVUDXAUSMPTNSC-UHFFFAOYSA-N 337.013 4.093 0 40 EIAB CC[C@@H](C(=O)NCc1nccnc1-c1ccsc1)c1ccccc1 575619667 OIPNVZFEBAKSTO-MRXNPFEDSA-N 337.448 4.015 0 40 EIAB Cc1noc(C)c1-c1ccc(CNC(=O)Nc2c(F)cccc2F)o1 1888919577 XIVNDFZQXCUIBP-UHFFFAOYSA-N 347.321 4.151 0 40 EIAB CCc1ccccc1OCC(=O)Nc1ccc(Br)cc1 131365 RJGARPYVOWXACJ-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB C[C@@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2c2ccc(Cl)cc21 209299 PYHHWEGRVRNGQT-PSLIRLAXSA-N 327.767 4.247 0 40 EIAB biogenic CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 477684 WBRDXBDBZNITOZ-UHFFFAOYSA-N 342.489 4.356 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccnc3)s2)cc1 1870074 AAUJKEJDGLOUPU-UHFFFAOYSA-N 338.436 4.150 0 40 EIAB C[C@H]1CCc2nc(NC(=O)CCSc3ccccc3)sc2C1 2642246 RSLHFNPFIYIRQZ-LBPRGKRZSA-N 332.494 4.389 0 40 EIAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@@H](C1)N2C 3147394 GNYZYYFKNNJUQR-MOPGFXCFSA-N 326.484 4.296 0 40 EIAB CCCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@H](C)C2 4144640 AXYILPIOMQQSJH-NSHDSACASA-N 337.485 4.424 0 40 EIAB CCN(CC)CCN(C(=O)C(C)(C)C)c1nc2ccccc2s1 4585318 ILRNHKCFNYXJLN-UHFFFAOYSA-N 333.501 4.017 0 40 EIAB CCn1c(/C=C/c2c(O)ccc3ccccc23)nc2ccccc2c1=O 4954521 BBEUNCCALIWBDZ-WYMLVPIESA-N 342.398 4.446 0 40 EIAB CC(C)c1cc(C(=O)OCC(=O)c2cccs2)c2ccccc2n1 4988205 UZUXWAFNXMVCOR-UHFFFAOYSA-N 339.416 4.459 0 40 EIAB CSc1nnc([C@H]2CCCN(C3CCC(C)CC3)C2)n1C(C)C 5001485 BZVRDHDYKKAHQC-PCKAHOCUSA-N 336.549 4.339 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccccc2C)c1OC(F)F 5403442 JAQCZIBDKYVFSY-ZHACJKMWSA-N 333.334 4.257 0 40 EIAB O=C(NCCc1csc(-c2cccs2)n1)c1cccc(Cl)c1 5451557 BHYFMLHNHIZONQ-UHFFFAOYSA-N 348.880 4.498 0 40 EIAB C[C@H](CNC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 5617084 ZNDOJRUGWVJAON-GFCCVEGCSA-N 338.234 4.292 0 40 EIAB C[C@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1Cl 6139658 HQXBAGVFBGDTMX-NSHDSACASA-N 330.844 4.384 0 40 EIAB CCN(C(=O)c1cccnc1SC)C12CC3CC(CC(C3)C1)C2 6510771 QMHVAAJWMOVYMK-UHFFFAOYSA-N 330.497 4.234 0 40 EIAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2)N3)C1 6594376 KHYZJXLSWMHELY-HNNXBMFYSA-N 347.871 4.208 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 6652956 MTEKEEVZURTMKL-FOIQADDNSA-N 338.451 4.080 0 40 EIAB COC(=O)c1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1 6809907 SKFJUKNORGTCPS-UHFFFAOYSA-N 337.375 4.017 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 7242318 QBAXZHWKLZPWMF-LBPRGKRZSA-N 344.842 4.276 0 40 EIAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 7440317 FGJVRSFRURKBIB-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1Cl 7671803 OFYGTHKBEUEKSM-NSHDSACASA-N 339.769 4.183 0 40 EIAB Cc1csc(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)n1 7817049 YWZXMZBIFLVHCH-SECBINFHSA-N 344.408 4.172 0 40 EIAB CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 8288943 YWHAWRZMBJEAJS-UHFFFAOYSA-N 344.842 4.006 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 8569201 NUGQIXLFGSXSPK-INIZCTEOSA-N 327.424 4.497 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 11738690 AYZSRAZIHADDCL-SFHVURJKSA-N 344.842 4.108 0 40 EIAB CCN(c1ccccc1)[C@H]1SC(=O)N(c2ccccc2C)C1=O 12113014 MJPHEZDHFXCQMF-KRWDZBQOSA-N 326.421 4.047 0 40 EIAB c1ccc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)nc1 12144360 BRWWGFMXSUTOSO-UHFFFAOYSA-N 345.431 4.274 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)on1 12422380 HTZDRHACAVWFKC-UHFFFAOYSA-N 327.409 4.482 0 40 EIAB Cc1nc(OCC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2n1 12847530 PPCVMEMGNZQCHR-UHFFFAOYSA-N 335.407 4.079 0 40 EIAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(Cl)c3)n2)c1 13495262 OCQYWOAWGCQTIV-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(OC)cc1 13932719 GKOMHTZXLKYRTB-CYBMUJFWSA-N 330.453 4.142 0 40 EIAB Cc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1C 14206442 LEYYQLNFXHDKHA-UHFFFAOYSA-N 349.434 4.300 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 14399612 LJCVCCXGBZSKHY-UHFFFAOYSA-N 328.843 4.260 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)c1C 17340472 JBNRKYLDFMHKJQ-UHFFFAOYSA-N 348.490 4.145 0 40 EIAB O=C(CCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 18115272 ZMWYCLNNFQBGLS-UHFFFAOYSA-N 326.415 4.387 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 18702725 AVSAIQWJERPGTM-OAHLLOKOSA-N 339.420 4.001 0 40 EIAB Cc1c(C)n(C[C@H](O)CN[C@@H]2CCCC[C@@H]2C)c2c(Cl)cccc12 28296758 ZBMWXQGMDJSFMW-URKNILKWSA-N 348.918 4.441 0 40 EIAB CC[C@H](C(=O)Nc1cc(C)nn1-c1ccc(F)cc1)c1ccccc1 32647564 STLSRDAYWFPXPT-SFHVURJKSA-N 337.398 4.452 0 40 EIAB COc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1 32892135 BVPVXDOIGJHXKF-UHFFFAOYSA-N 347.414 4.440 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 36775823 VHGCIEFWHYLLLE-SWLSCSKDSA-N 330.453 4.064 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38666443 SUFDINRGYBUYRZ-CQSZACIVSA-N 345.468 4.084 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38849605 YDKAIBPKEMMSMF-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 39767437 UAUVZJBUMCZJFY-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB C[C@@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 40071281 ZVUILHDCYIJURD-SCDSUCTJSA-N 332.341 4.307 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)c1csc2c1CCCC2 41970670 WOHUVULKFFSGMO-UHFFFAOYSA-N 340.492 4.475 0 40 EIAB CC(C)(C)c1ccc(OC[C@H]2CCCNC2)c(Br)c1 42774779 AZTDGAHIXDHVIX-LBPRGKRZSA-N 326.278 4.125 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(O)cc2)s1 43277867 SXKILRZKNQXJBY-UHFFFAOYSA-N 341.480 4.051 0 40 EIAB O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc2c(c1)CCC2 47515353 GJSSDGQIEQKCKQ-UHFFFAOYSA-N 349.434 4.055 0 40 EIAB Cc1ccc(NC(=O)NC2CCCCC2)c(-c2nc(C3CC3)n[nH]2)c1 48287562 FUKJLKAIOQYAIM-UHFFFAOYSA-N 339.443 4.112 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cn1)c1c(Cl)cccc1Cl 52537228 CHADBJYWSJPEFX-UHFFFAOYSA-N 349.139 4.337 0 40 EIAB C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(NC(=O)C2CC2)CC1 56284250 IQEDBPCVEVMWLF-LLVKDONJSA-N 341.282 4.045 0 40 EIAB Cc1ccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)cc1 57773705 VQOKAXCSLCFUGJ-JTHBVZDNSA-N 347.506 4.016 0 40 EIAB Cc1cc(C(=O)N(C)Cc2ccc3ccccc3c2)c2c(C)noc2n1 58406250 NNGUQLRSENWQRD-UHFFFAOYSA-N 345.402 4.265 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)N1CCCC[C@@H]1Cc1ccccc1 65529352 IUDBSYJHUBPWAA-KAUXGEHWSA-N 346.430 4.465 0 40 EIAB O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@H]1c1ccc[nH]1 68103016 WLYUBUWOSQPDQG-KRWDZBQOSA-N 327.815 4.056 0 40 EIAB CCCCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 69739313 JXFOTFRECKWTAZ-UHFFFAOYSA-N 329.469 4.101 0 40 EIAB Cc1ccc2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)n2c1 71468790 MPKFKRCLQJPPKF-UHFFFAOYSA-N 347.462 4.046 0 40 EIAB C[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)n1ccnc1 71885793 LAWATHZRQYQNNA-CYBMUJFWSA-N 325.343 4.014 0 40 EIAB CC(C)CNc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72213294 QRCCWEBLMBOBKS-UHFFFAOYSA-N 349.475 4.027 0 40 EIAB CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215374 WMHBYXPQMFVIFE-INIZCTEOSA-N 331.460 4.142 0 40 EIAB CSc1ccc(NC(=O)c2ncoc2[C@@H]2CCCO2)cc1Cl 78985964 XPGTUAVFZSDTHN-NSHDSACASA-N 338.816 4.154 0 40 EIAB CN(C)c1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1F 83854330 RLIWVGWJIZWXIU-UHFFFAOYSA-N 339.370 4.163 0 40 EIAB CCOc1ccc2ccccc2c1CNc1cnn(CC(F)F)c1 89269885 KJKQKQIJUOLELL-UHFFFAOYSA-N 331.366 4.312 0 40 EIAB Cc1ccc(N(C(=O)CSC(F)(F)F)C2CCCCC2)nc1 95394060 FRXHSSAEEODLQY-UHFFFAOYSA-N 332.391 4.309 0 40 EIAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc3ccc(O)cc23)cc1 95431813 NGMCOUOADXUQIW-VAWYXSNFSA-N 339.416 4.266 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccccc1C(F)(F)F 100189125 URVSBLFEMKBFOG-CXAGYDPISA-N 333.357 4.066 0 40 EIAB O=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccccc1 100215064 VLCWDQVBSNRCJQ-UHFFFAOYSA-N 327.383 4.422 0 40 EIAB O=C(Oc1ccccc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102314526 XAQYNOULLGEOQA-QJRTVWDNSA-N 335.241 4.326 0 40 EIAB CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1 102657206 FVHCDBDORNVEES-MRXNPFEDSA-N 340.452 4.308 0 40 EIAB Cc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3nnnc3N2)cc1 103327057 LAQLLSIKNPDQAE-FQEVSTJZSA-N 339.402 4.191 0 40 EIAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCCC2)cc1 222855685 GDJKZTIWKHFJHR-UHFFFAOYSA-N 344.458 4.366 0 40 EIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1 224287651 GHYCVAFBZOYFHS-OAHLLOKOSA-N 337.394 4.105 0 40 EIAB CN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225045116 POFZWCASWQRMNL-UHFFFAOYSA-N 331.824 4.318 0 40 EIAB COC1CCN(c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)CC1 253403070 PHOUPRNDMZKQDI-UHFFFAOYSA-N 338.451 4.171 0 40 EIAB Cc1ncsc1CN1CCC(C)(c2ncc(Cl)s2)CC1 257320798 VYSIXWBNDSWTLO-UHFFFAOYSA-N 327.906 4.115 0 40 EIAB Cc1cc(-c2csc(NC(=O)[C@@H]3CCC(F)(F)C3)n2)c(C)o1 331435691 UWIIZXKHXBVSJT-SNVBAGLBSA-N 326.368 4.394 0 40 EIAB CCc1oc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C 390834226 UVSSWXTWLVXQIX-FUHWJXTLSA-N 345.414 4.282 0 40 EIAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O 409063412 BIGSSVPTOJZXSK-XNTDXEJSSA-N 346.839 4.495 0 40 EIAB Cc1cccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)c1 409106974 NTFLMZFUOOLWNL-UHFFFAOYSA-N 345.431 4.184 0 40 EIAB Cc1ccc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)cc1 524729276 MBHFVROMFZTPMS-UHFFFAOYSA-N 334.327 4.142 0 40 EIAB biogenic COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccsc2)cc1 585319670 LXJBKKWHZVOEKT-JWTNVVGKSA-N 327.449 4.197 0 40 EIAB O=C(c1coc(C2CCCCC2)n1)N1CCC=C(c2ccco2)C1 672066804 OJZRJFGQACCIQF-UHFFFAOYSA-N 326.396 4.245 0 40 EIAB CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(NCc2cncs2)c1 1119643861 SYIADDYZTGYHRA-CXAGYDPISA-N 329.469 4.016 0 40 EIAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccccc1SC(F)(F)F 507637 FJXIPXIRAOZVFY-UHFFFAOYSA-N 343.326 4.121 0 40 EIAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccncc1 542026 FCVWSQBLJNSMCF-OAQYLSRUSA-N 326.403 4.485 0 40 EIAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3C)C2=O)cc1 1004919 RFXMTXKMDABYEE-BOPFTXTBSA-N 338.432 4.409 0 40 EIAB O=C(COC(=O)c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 1599484 DWURMHZPNXLARL-UHFFFAOYSA-N 332.355 4.099 0 40 EIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(F)cc1)C3 2121049 FIZBNYYOWPWUPE-UHFFFAOYSA-N 339.366 4.214 0 40 EIAB biogenic Cc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1C 2398670 QHPZCZXTQGTTNA-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)cc1 3128605 XVKKUQDLTQXTDH-UHFFFAOYSA-N 339.822 4.437 0 40 EIAB Cc1cc(C)cc(C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)c1 3902927 YPRCUPKLIUBNEQ-OAHLLOKOSA-N 345.826 4.229 0 40 EIAB CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4025648 LGGHTNIMFTVTOB-TZNDBTHQSA-N 345.527 4.061 0 40 EIAB biogenic CCOc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138193 ANKUIYZOFIUBHC-UHFFFAOYSA-N 348.446 4.375 0 40 EIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 4910472 RUFFONXICZLGLD-OAHLLOKOSA-N 325.408 4.193 0 40 EIAB CCCc1nc2sc3c(OC)ncnc3c2c2c1COC(C)(C)C2 4940368 JNYZZJIHHGBRCS-UHFFFAOYSA-N 343.452 4.052 0 40 EIAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(Cl)cc1Cl 5172885 WKISOVVPLMAXPC-AUWJEWJLSA-N 336.149 4.477 0 40 EIAB Clc1cccc(OCCSc2nc(-c3ccccc3)n[nH]2)c1 5937881 ZCASSIQDLJAPLZ-UHFFFAOYSA-N 331.828 4.296 0 40 EIAB CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3ccoc23)C1 5966869 RUSANBIFMAXXSJ-MRXNPFEDSA-N 327.811 4.412 0 40 EIAB in-vitro COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCc2ccccc21 6622986 YUOVWDJKCATUHS-CYBMUJFWSA-N 344.842 4.128 0 40 EIAB O=C(/C=C/c1ccccc1F)Nc1nnc(CC2CCCC2)s1 6884407 WPEVKOFCHJLUJE-MDZDMXLPSA-N 331.416 4.062 0 40 EIAB Cc1ccc(COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 7737177 GCHPRYLBLSUSQB-UHFFFAOYSA-N 328.751 4.112 0 40 EIAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(C)c1-c1ccccc1 8080337 CURFYEVFYJVGCJ-VZCXRCSSSA-N 340.423 4.196 0 40 EIAB COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccco3)c12 8337867 VIXUBRUBRCQBMX-UHFFFAOYSA-N 338.294 4.076 0 40 EIAB CC[C@H](C)NC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936139 ZNDHVDFPXYNINT-ZDUSSCGKSA-N 334.510 4.201 0 40 EIAB CN(C(=O)c1cccs1)c1ccccc1C(=O)Oc1ccccc1 9389939 CFETUIINRDYGHB-UHFFFAOYSA-N 337.400 4.244 0 40 EIAB O=C(NCCCCOc1ccc(Cl)cc1)N1CCc2ccccc21 9596535 ZJBRAQTXOZLHAF-UHFFFAOYSA-N 344.842 4.271 0 40 EIAB Cc1cccc([C@@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)c1 10156559 NSRFEGMCCLXMNN-INIZCTEOSA-N 329.403 4.441 0 40 EIAB O=C1NC2(CCCCC2)[C@H]2CCCC[C@@]2(O)N1c1ccc(Cl)cc1 12322821 XVTCQWXQPXUOLT-APWZRJJASA-N 348.874 4.451 0 40 EIAB CCc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 12534216 FYHWYPHLMPGZAG-UHFFFAOYSA-N 341.411 4.489 0 40 EIAB COc1ccc(Cl)cc1-c1nn2c(-c3cccs3)nnc2s1 13689950 XPPNWVDRNGPUOH-UHFFFAOYSA-N 348.840 4.243 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCCC1 13728849 NKHFWIBGYRISRK-QGZVFWFLSA-N 335.879 4.212 0 40 EIAB CCOc1ccc(CNC(=S)Nc2cccc(C)c2)cc1OCC 13754889 XFOKGFXOTZTACL-UHFFFAOYSA-N 344.480 4.279 0 40 EIAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1 13942330 IWLLZKDYXHTQMM-VFNWGFHPSA-N 346.430 4.201 0 40 EIAB Cc1cc(S(=O)(=O)NCc2ccccc2Cl)c(C)c(C)c1C 16780195 VKMIBROLROHFBW-UHFFFAOYSA-N 337.872 4.052 0 40 EIAB CC(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17113062 SAXNWEGZNONQRF-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB CCOc1ccc(OCC)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 17334740 HATFBFIXEFBUEO-UHFFFAOYSA-N 343.467 4.183 0 40 EIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3C)[C@@H]3CCCC[C@H]32)cc1 19239553 WHHIBUCIOMXLPE-CZYKHXBRSA-N 336.479 4.461 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N1CCCC[C@H]1CCN1CCCCC1 21170628 YAEIKIWUTSVPSN-IBGZPJMESA-N 348.918 4.140 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2ccc(Cl)cc2)c1 22523739 UECBLEXDEBAOMM-UHFFFAOYSA-N 331.843 4.303 0 40 EIAB Oc1nc(CN2CCCCC2)nc2cc(-c3ccc(F)cc3)sc12 24164257 YGXXKGOMCDHWJS-UHFFFAOYSA-N 343.427 4.189 0 40 EIAB O=C(NCc1ccccc1F)Nc1ccc2oc(C3CC3)nc2c1 27351518 VFIZCVXVKRSHTQ-UHFFFAOYSA-N 325.343 4.166 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 28199692 AXUSPFMWYLPGAG-ZIAGYGMSSA-N 332.444 4.152 0 40 EIAB CCn1cc(-c2nnc(SCc3c(F)cccc3Cl)o2)cn1 28579149 DMUSXZZSRGSJEF-UHFFFAOYSA-N 338.795 4.038 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 30751269 QTFBRMDDVQXDAM-GSQFEDNKSA-N 341.495 4.464 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(OC)cc1 31702746 ZRBAGCSKUIFLBC-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB Cc1cc(Br)oc1C(=O)NC12CC3CC(CC(C3)C1)C2 44253640 IQDQYDFZGPONSN-UHFFFAOYSA-N 338.245 4.049 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](c2cccs2)C(C)C)on1 44967128 KNVKCKOOFRLKSB-XJKSGUPXSA-N 333.457 4.288 0 40 EIAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)c1cc2ccccc2o1 48365509 OGFXTPSZWGZILV-LLVKDONJSA-N 347.365 4.061 0 40 EIAB CC(C)(C)c1ccc(C[S@@](=O)CCC(=O)Nc2ccccc2)cc1 58099225 LZZYCYFNIVSOQU-XMMPIXPASA-N 343.492 4.262 0 40 EIAB Nc1nc(SCCCc2nc3ccccc3o2)nc2sccc12 58344499 XKEDYNFBRCTNGR-UHFFFAOYSA-N 342.449 4.140 0 40 EIAB Cc1cc(CN(C)c2nc(-c3cccs3)nc3ccccc23)no1 58377781 VSONVYGFGAYYEL-UHFFFAOYSA-N 336.420 4.291 0 40 EIAB CC(C)OCCOCc1cccc(NC(=O)NCc2cccs2)c1 62416631 DCOVDCVTFQCWMJ-UHFFFAOYSA-N 348.468 4.011 0 40 EIAB CCc1cccc(C)c1NC(=O)CNc1ccc(OC(F)F)cc1 65565337 FNLSPTCWKZREKV-UHFFFAOYSA-N 334.366 4.209 0 40 EIAB CCC[C@H]1c2ccccc2CCN1C(=O)CCc1c(C)noc1C 69737832 IZQJSDAYZHJVCP-IBGZPJMESA-N 326.440 4.150 0 40 EIAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c(F)c1 71287932 DRWJFBVTHZFVBA-CQSZACIVSA-N 335.404 4.203 0 40 EIAB CC[C@H](C)n1nccc1NC(=O)c1cccc(Oc2nccs2)c1 78172874 HEZCUUVCKVOHDQ-LBPRGKRZSA-N 342.424 4.355 0 40 EIAB C[C@H]1CCCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)C1 78592637 ZDAZGTAZTVMYDR-HNNXBMFYSA-N 348.512 4.363 0 40 EIAB CO[C@@H](C)c1nc(C[S@](=O)Cc2cccc3ccccc23)cs1 78987588 JGAZZQMAERCXLH-NPMABZOXSA-N 345.489 4.453 0 40 EIAB Cc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)c(C)c1 95097116 IMKBOMAKAAZAFQ-UHFFFAOYSA-N 344.480 4.434 0 40 EIAB COc1cccc(CNCc2nc(-c3ccccc3)cs2)c1OC 95353037 BMAIXKWMLSLIKJ-UHFFFAOYSA-N 340.448 4.117 0 40 EIAB O=C(CCC1CCOCC1)N[C@@H](c1cccnc1)C1CCCCC1 95403512 BANPOQXXTNCCTA-HXUWFJFHSA-N 330.472 4.026 0 40 EIAB CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1-c1noc(C)n1 95414641 SKHUGRJAWXSTIP-KRWDZBQOSA-N 343.427 4.111 0 40 EIAB COc1ccc(/C(O)=C/Sc2nnc(Cc3ccccc3)o2)cc1 101390516 LSZITCOEDRZMEN-VBKFSLOCSA-N 340.404 4.318 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 137309091 GHDFBOQRGTVFAN-NSHDSACASA-N 348.805 4.260 0 40 EIAB COc1ccc(CC(=O)NCCCc2ccc(C(C)C)cc2)cc1 219273638 SSVRRQFBXNVGQZ-UHFFFAOYSA-N 325.452 4.110 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)s1 222948883 VPBMZDWQHQBXBY-HZPDHXFCSA-N 331.510 4.224 0 40 EIAB O=C(CCc1ccc(F)cc1)NCCOc1cccc2ccccc12 223574512 HHLVRPJHHGNBAE-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(OC)cc1 223974361 TWJCVPHBTGAKGB-KRWDZBQOSA-N 335.806 4.298 0 40 EIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCC1=CCCCC1 224556001 YUPDBCJMHTWLHX-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccccc1 224992709 POSMGSQFXUJWGC-OAQYLSRUSA-N 337.463 4.082 0 40 EIAB COc1ccc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2c1 225201485 OZKJVRGIAZLCPI-UHFFFAOYSA-N 345.464 4.017 0 40 EIAB COc1cccnc1NC(=S)NCCCc1ccc(C(C)C)cc1 225807857 CMTHSNKWRNXJDI-UHFFFAOYSA-N 343.496 4.133 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NC2(C)CCCCC2)c(C)c1 225865085 XJBQFHMIBRVUCI-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB CC[n+]1cc(Br)cc(-c2nc3cc(C)c(C)cc3o2)c1 226774908 YWAOYOJFULBWPC-UHFFFAOYSA-N 332.221 4.182 0 40 EIAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1 248028620 PDHRRNVHIMWYKG-KZNAEPCWSA-N 327.468 4.049 0 40 EIAB Cc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1Cl 260735436 IIPOSZYXQFTUOD-ZDUSSCGKSA-N 339.936 4.057 0 40 EIAB COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1nnc(C(C)C)o1 285360182 FDSXPMQCOPPKEQ-ZBFHGGJFSA-N 329.444 4.175 0 40 EIAB COCc1sccc1C(=O)N[C@](C)(Cc1ccccc1)C1CC1 633366376 RQTVIOOFCPLOQY-LJQANCHMSA-N 329.465 4.036 0 40 EIAB CC(C)(C)c1cc(Nc2cccc(OC[C@H]3CCCO3)c2)ncn1 1611866328 HOBAOLKXTSKMSF-MRXNPFEDSA-N 327.428 4.076 0 40 EIAB Cc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 422685 OKKREHJLOZOEAB-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB CNS(=O)(=O)c1ccccc1C=C(c1ccccc1)c1ccccc1 1707712 XBEOFAQHRCTHTF-UHFFFAOYSA-N 349.455 4.184 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2s1 2432545 KFENFWCEUFKFQI-GFCCVEGCSA-N 340.473 4.366 0 40 EIAB O=C(COc1ccccc1F)Nc1ccc(SC(F)F)cc1 3203268 DTFAJZDQWQHKPN-UHFFFAOYSA-N 327.327 4.158 0 40 EIAB O=C(Nc1ccccc1N1CCCC1)c1cccc(OC(F)F)c1 3618607 RSTURADRMPSIHJ-UHFFFAOYSA-N 332.350 4.141 0 40 EIAB CC(C)Sc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079438 LFSXGYRJYIZYPV-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c1 4479501 AXAQVZKLNNBEBB-UHFFFAOYSA-N 347.418 4.485 0 40 EIAB Cc1cc(C)cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 4670537 PEHMKKCTLHTAPK-UHFFFAOYSA-N 337.463 4.164 0 40 EIAB Cc1cccc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1C 4711180 KVWQRIQLXREWOA-UHFFFAOYSA-N 328.500 4.313 0 40 EIAB CSc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)cc1 5240374 XCWKPYLVAXJMSO-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1C1CC1 7235159 UFGFFICUKRKZPC-SFHVURJKSA-N 349.459 4.409 0 40 EIAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccco1)C2 9938815 MKOYCTLLHJQSTQ-LBPRGKRZSA-N 349.415 4.296 0 40 EIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 10342304 VCHKJJCEBBLDFM-UHFFFAOYSA-N 345.342 4.003 0 40 EIAB COc1c(Br)cc(F)cc1NC(=O)c1cc(C)oc1C 12754431 LZABUTFOQCQSMH-UHFFFAOYSA-N 342.164 4.059 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1OC(F)F 12764343 JSSDQLKYVKXFLG-UHFFFAOYSA-N 348.374 4.170 0 40 EIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(C)c(F)c3)ccc2o1 12824856 JFYIJVNIPJZYAU-NSHDSACASA-N 327.359 4.023 0 40 EIAB Cc1sc2ncnc(NCc3ccccc3Cn3cccn3)c2c1C 12857837 VJLSALCRIVDIQE-UHFFFAOYSA-N 349.463 4.165 0 40 EIAB COc1cccc(-c2noc(COc3cc(C)ccc3Cl)n2)c1 13058394 UAYGZCCDOLRARB-UHFFFAOYSA-N 330.771 4.286 0 40 EIAB Fc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1F 16331439 WANQFZLNLPYSIK-UHFFFAOYSA-N 327.359 4.186 0 40 EIAB Cc1cc(S[C@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1 16454259 RWZXOSHVJNVBQS-CQSZACIVSA-N 335.517 4.086 0 40 EIAB Cc1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 19210212 YDWFUAAXHVZDOB-UHFFFAOYSA-N 339.464 4.486 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1ccccc1 19617534 JIUKXAGJFOBMOL-UHFFFAOYSA-N 347.462 4.080 0 40 EIAB O=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)N1CCCC1 19626110 JPJZCZRWEKPXDO-UHFFFAOYSA-N 340.320 4.102 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1C 19736768 CPVBPROXDWRAPQ-HIFRSBDPSA-N 326.440 4.497 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 20461111 CATYTCZYUSAUEO-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CC(C)N(CCNC(=O)c1ccc(-c2ccccc2Cl)o1)C(C)C 22623191 VHWSRUPTDZTMHT-UHFFFAOYSA-N 348.874 4.449 0 40 EIAB COc1ccccc1-c1noc(CNc2cccc3c2CCCC3)n1 22695613 CRYUTXFIXUVKDL-UHFFFAOYSA-N 335.407 4.236 0 40 EIAB CN(C)[C@@H](CNc1ncnc2c1oc1ccccc12)c1cccs1 23744766 GFDFSWYJZGJEID-ZDUSSCGKSA-N 338.436 4.152 0 40 EIAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCC1CCCCC1 25733491 GBZWJUXKLXAKIY-UHFFFAOYSA-N 337.485 4.088 0 40 EIAB CC(C)COCCCNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 26265546 OXYGHEDULOASRF-GFCCVEGCSA-N 347.286 4.416 0 40 EIAB CCOc1ncccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 30308505 YYUMNAOYZGTNDV-UHFFFAOYSA-N 340.467 4.027 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c1 30869851 SMQBRPIJOXLPBH-LJQANCHMSA-N 331.481 4.202 0 40 EIAB CC[C@@H](C(=O)Nc1cc(C)nn1-c1ccc(F)cc1)c1ccccc1 32647562 STLSRDAYWFPXPT-GOSISDBHSA-N 337.398 4.452 0 40 EIAB Cc1nc2ccc(C(=O)Oc3cccc4cccnc34)cc2nc1C 32740552 HGPWXFNOQFWCLB-UHFFFAOYSA-N 329.359 4.014 0 40 EIAB CC1CCN([C@@H](CNC(=O)c2cccs2)c2cccs2)CC1 36310359 HUPNETLTZKOMDW-AWEZNQCLSA-N 334.510 4.013 0 40 EIAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C(C)(C)C)cc1 38771470 NLPQYIQVVKRSMH-UHFFFAOYSA-N 347.462 4.408 0 40 EIAB COc1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 45949883 ZZROSBBIRVPMJN-NSHDSACASA-N 336.338 4.179 0 40 EIAB O=C(NCCN1CCCCCC1)c1ccc(-c2ccccc2)cc1F 48248545 MEJZDKKOZBDREH-UHFFFAOYSA-N 340.442 4.099 0 40 EIAB CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 54312158 HQGKXMQWJAKIMY-UHFFFAOYSA-N 337.379 4.013 0 40 EIAB Cc1cccn2cc(-c3ccc(NC(=O)OCC(F)(F)F)cc3)nc12 58018560 QGLDCRIKWVWIGT-UHFFFAOYSA-N 349.312 4.421 0 40 EIAB O=C(NCc1ccccn1)N1CCc2sccc2[C@H]1c1ccccc1 58054946 VXNCTWLOSSTVRV-LJQANCHMSA-N 349.459 4.000 0 40 EIAB CCOCCOc1c(Cl)cccc1NC(=O)c1sccc1C 58292570 HKWUKYXEGWKKHR-UHFFFAOYSA-N 339.844 4.378 0 40 EIAB O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)S1 59418637 LTJRZRNWJPPHRZ-OQLLNIDSSA-N 345.807 4.243 0 40 EIAB Cc1cccc(OCCCCC(=O)Nc2ccc(C)c3cn[nH]c23)c1 63715918 PULPCSYCLVKPIY-UHFFFAOYSA-N 337.423 4.368 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215959 QWYFGDZDWQMCGB-IBGZPJMESA-N 335.451 4.049 0 40 EIAB CCCN(C(=O)Nc1ccc(OC)cc1)[C@H]1C[C@@H](OCC)C1(C)C 72305982 FDNSIVRZMTWIHZ-DLBZAZTESA-N 334.460 4.143 0 40 EIAB Clc1ccc(COCC2CCN(Cc3cccnc3)CC2)cc1 75156583 PVZGLYPQFBHNJG-UHFFFAOYSA-N 330.859 4.164 0 40 EIAB Cc1nn(C)cc1CCC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 89544343 QBEQXWBAROCEIR-UHFFFAOYSA-N 339.483 4.259 0 40 EIAB Cc1csc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 89705622 SBWPTROQOPTBGB-KRWDZBQOSA-N 329.856 4.379 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC1CCN(Cc2ccc(Cl)cc2)CC1 95422420 AEJNKCJFWCLTHF-CYBMUJFWSA-N 347.890 4.260 0 40 EIAB Cc1ccc(C(=O)c2c(N)sc3c2CCC3)c(Br)c1 97053734 IBOKUVJFLKVOKW-UHFFFAOYSA-N 336.254 4.121 0 40 EIAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 102610997 IRILMNHERAXBJL-CYBMUJFWSA-N 346.481 4.369 0 40 EIAB O=C1c2cc3c(cc2C[C@]12Cc1cc4c(cc1C2=O)CCC4)CCCC3 102952184 PHWUFKHFRXEWRQ-DEOSSOPVSA-N 342.438 4.218 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 113959480 LLRZRHQPFPFRBQ-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB O=C(Cc1ccccc1)Nc1cc(NC[C@H]2CCC=CO2)ccc1F 194586417 JUHNOWSPNQRROT-QGZVFWFLSA-N 340.398 4.112 0 40 EIAB C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(C[S@@](=O)C2CCOCC2)c1 195560872 GAGLPYAGTBOIND-WQYJIASKSA-N 349.540 4.351 0 40 EIAB Cc1cc(C)cc(OCCNC(=S)Nc2ccc(Cl)cc2)c1 224113110 DDROQBSLVZLCGU-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB Cc1cccc(CCCNC(=O)COc2cccc3c2CCCC3)c1 224794879 UCUBFZZHLIPVFR-UHFFFAOYSA-N 337.463 4.002 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 224893397 IIRQRCSCJRCTNF-YJBOKZPZSA-N 327.424 4.038 0 40 EIAB Cc1ccc(SCCNC(=O)Cc2ccc(Cl)cc2F)cc1 224896215 FESHQBSFDSJLGY-UHFFFAOYSA-N 337.847 4.239 0 40 EIAB CCCNC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224896933 OROOPNSQEHQDMY-UHFFFAOYSA-N 336.391 4.157 0 40 EIAB FC(F)(F)c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 258329961 BSAOEJZUNJWBOO-UHFFFAOYSA-N 333.029 4.363 0 40 EIAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 408708738 LWAOXASDTVATPN-UHFFFAOYSA-N 330.472 4.009 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cc1 513742512 JCMBGLRNLODEJE-UHFFFAOYSA-N 347.462 4.142 0 40 EIAB Fc1ccc([C@H]2CC[C@@H]2c2nc(Cn3cnc4ccccc43)no2)cc1 528170436 ZIQATWGBICVHPZ-CVEARBPZSA-N 348.381 4.268 0 40 EIAB O=C(NCc1ccc(-c2ccco2)o1)C12CC3CC(CC(C3)C1)C2 575609505 WWASVGFWURFUSD-UHFFFAOYSA-N 325.408 4.372 0 40 EIAB COc1cccc(NC(=O)NCc2ccc(-c3ccsc3)o2)c1 575610573 PWJFNFGQEFURQO-UHFFFAOYSA-N 328.393 4.338 0 40 EIAB CCCCS[C@@H](C)C(=O)N(C)c1nc(-c2ccccn2)cs1 585124750 QLTQXUXUGODEIQ-LBPRGKRZSA-N 335.498 4.090 0 40 EIAB C[C@@H](c1ccncc1)N1N=C(c2ccc(Cl)cc2)C[C@@H](C)C1=O 634627155 WLSSOKLUTNTFPJ-OLZOCXBDSA-N 327.815 4.069 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cccc(C2CC2)c1 1531584110 VVBWAKVPUFYPBV-UHFFFAOYSA-N 339.395 4.474 0 40 EIAB CC(C)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 360774 PZKRHDFROJTOHK-YAOQVBECSA-N 346.474 4.447 0 40 EIAB Cc1ccccc1N[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 365117 AFSDDRLMQMEWPW-CYBMUJFWSA-N 347.629 4.126 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)C1SCSCS1 940820 BOPNZIVYTNZMCA-UHFFFAOYSA-N 325.402 4.098 0 40 EIAB C[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2ccccc12 1332647 FGLJJBKBWYHUEG-ZDUSSCGKSA-N 341.480 4.000 0 40 EIAB COc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1400543 SELHXJRQFBEHOR-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 2530806 PTRXMEBOWZBSJT-HNNXBMFYSA-N 348.402 4.093 0 40 EIAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)n2C)c1 3400285 RKZLKKLPAMYDCC-CQSZACIVSA-N 337.448 4.154 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1 4119946 ZYIULVPUAIGKCU-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2)cc1C(C)C 4761296 CDGHHYJJWFQXFY-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Cc1ccc(F)c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1 4945476 DQGNRKFLFLVWQM-UHFFFAOYSA-N 329.400 4.050 0 40 EIAB CCCC(=O)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 6349632 JWSLLBJJLPRZMA-UHFFFAOYSA-N 346.430 4.213 0 40 EIAB CN1CCC(O[C@H]2c3ccccc3CSc3ccccc32)CC1 6638544 YOAORJGYOFRIRQ-FQEVSTJZSA-N 325.477 4.493 0 40 EIAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc2ccccc2c1 6943265 CLXBLGMGYXXVIE-FQEVSTJZSA-N 337.444 4.196 0 40 EIAB Cc1ccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)o1 7017720 AQIFWNMHPPQYSY-UHFFFAOYSA-N 334.419 4.472 0 40 EIAB Cc1cc(C(=O)COC(=O)C2(c3ccccc3)CC2)c(C)n1C(C)C 7397327 YRIACBAWPCNLDQ-UHFFFAOYSA-N 339.435 4.144 0 40 EIAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(N)c3)cc2)c1 7468471 WBUWAGPHSATDLL-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 7982527 CSZCNVIVQXMJES-UHFFFAOYSA-N 343.854 4.429 0 40 EIAB CCOc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 8007368 SRDCMWDJMDITOD-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB COc1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8075323 KXKMKZAWXHJUJB-UHFFFAOYSA-N 332.403 4.051 0 40 EIAB CNCc1cc(Br)ccc1OCc1ccccc1Cl 8377371 DXZOJJFETPANAE-UHFFFAOYSA-N 340.648 4.401 0 40 EIAB Cc1cc(C)cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 8924311 XKIKBFDATOZFCE-UHFFFAOYSA-N 340.404 4.374 0 40 EIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1 9232151 JZVRVLJGNIDJKT-QGZVFWFLSA-N 336.435 4.110 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10260365 BBNKFWDIAMLEOO-HNNXBMFYSA-N 334.423 4.283 0 40 EIAB CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nc2ccccc21 11421481 DSCAJWZXTAOLHX-AWEZNQCLSA-N 339.464 4.484 0 40 EIAB Cc1nc(CCNc2ncnc3sc4c(c23)CCCCC4)cs1 12910914 MEGHKBTWHBGCRK-UHFFFAOYSA-N 344.509 4.380 0 40 EIAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 14179679 DPPYDQXUYYIGJC-LBPRGKRZSA-N 347.374 4.282 0 40 EIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Br)cc1)C2 14206144 LYVJYMSRAPLFIF-OAHLLOKOSA-N 348.265 4.413 0 40 EIAB Nc1c(C(=O)Nc2ccccc2)sc(=S)n1-c1ccccc1 15015095 DJXPNVITFUTARE-UHFFFAOYSA-N 327.434 4.103 0 40 EIAB COC(=O)c1ccccc1SCC(=O)C12CC3CC(CC(C3)C1)C2 15108560 ISLPTAGGZGBKNX-UHFFFAOYSA-N 344.476 4.351 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2)cc1 15540400 XKBSETNQHNTIHL-GOSISDBHSA-N 345.826 4.091 0 40 EIAB CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 20141909 CCJNYVHFTQUTJE-LBPRGKRZSA-N 327.380 4.123 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN([C@H](C)c1ccccc1)CO3 20609920 JWDBOTUBEZAKIS-OAHLLOKOSA-N 335.403 4.323 0 40 EIAB biogenic COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 20896709 VLYLNXBRMONTPO-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB Cc1ccc(-c2csc3ncn(CCCOC(C)C)c(=O)c23)cc1 21790232 GRFJRJSTDXXYCR-UHFFFAOYSA-N 342.464 4.249 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1cn[nH]c1-c1ccc(Cl)cc1 22322306 CEJNYBVZAIGLQE-KRWDZBQOSA-N 337.810 4.147 0 40 EIAB COc1cccc2cc([C@@H](C)NC(=O)c3c(F)cccc3F)oc12 25736720 SDUBITKRYHWJOU-SNVBAGLBSA-N 331.318 4.211 0 40 EIAB COC(=O)c1cc(NC(=O)/C=C/c2ccc(C)cc2)ccc1Cl 31054870 FIQCWMIYPWHNSI-JXMROGBWSA-N 329.783 4.087 0 40 EIAB COc1ccc2cc(CNC(=O)NCCC3CCCC3)ccc2c1 31095047 XTPJRDWMZUTFCD-UHFFFAOYSA-N 326.440 4.228 0 40 EIAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCCO2 32398255 NISFGJHJQTVBKI-SFHVURJKSA-N 343.448 4.181 0 40 EIAB Cc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCCC1 32642824 YVNLRBBZAHCZDD-UHFFFAOYSA-N 346.434 4.099 0 40 EIAB CCCc1ccc([C@H](NC(=O)C2CCOCC2)c2cccs2)cc1 32745056 NWKRONQOPDTDFU-IBGZPJMESA-N 343.492 4.333 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)NCCCc1ccccc1 32843774 XJJBZWRREJBJQT-UHFFFAOYSA-N 334.822 4.253 0 40 EIAB O=C(NOCc1ccccc1)c1cc2cc(Br)ccc2o1 32914375 UMTPTVCBCNEDOJ-UHFFFAOYSA-N 346.180 4.057 0 40 EIAB O=C(c1ccccc1)N1CCc2nc(-c3ccccc3F)sc2C1 36752077 NMHASCIJIGZZJU-UHFFFAOYSA-N 338.407 4.148 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 38772556 OPRVNWSKUOIYSJ-DLBZAZTESA-N 325.452 4.154 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2CC)cc1 44839232 LWGGAGLFGCMNAX-HOTGVXAUSA-N 341.451 4.292 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 48164867 YLCKRZLKRGFNOK-UHFFFAOYSA-N 339.439 4.342 0 40 EIAB Cc1occc1CN(C)C(=O)c1cccnc1Nc1cccc(F)c1 55474749 FHSLEDDTDPYTMI-UHFFFAOYSA-N 339.370 4.138 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)OCCC(C)C)c(Br)c1 57994320 BTYAUUHUUDYHDO-GFCCVEGCSA-N 328.250 4.147 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 58231031 CANUIGALHIAZRZ-YJBOKZPZSA-N 337.467 4.144 0 40 EIAB Cc1ccc(N(Cc2ccco2)C(=O)c2cn3ccccc3n2)cc1 60666071 ZPSUKPYALCNPCA-UHFFFAOYSA-N 331.375 4.083 0 40 EIAB COc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc2occc12 71195340 HDHOWQCEUJCTNV-UHFFFAOYSA-N 327.384 4.088 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 75359584 WENPWMHPZDOBKC-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB O=C(c1cccs1)c1ccc(CNC(=O)[C@H]2CC=CCC2)s1 85474155 MIZUQPFEUUPAHS-LBPRGKRZSA-N 331.462 4.013 0 40 EIAB FC1(F)CCN(Cc2ccoc2)C[C@@]12CCN(c1ccccc1)C2 96051098 UJXYWASZNRCNOC-GOSISDBHSA-N 332.394 4.017 0 40 EIAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)c1 96296203 SGIRCOBJIOYFOF-SFHVURJKSA-N 345.874 4.436 0 40 EIAB biogenic,in-vitro C[C@H](NC(=O)N(C)Cc1cccnc1)c1ccccc1C(F)(F)F 96405211 KMSOOVSKQKJICW-LBPRGKRZSA-N 337.345 4.003 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c(C)c1 102606191 CWSOSCYIFYAMMI-NRVIEEGESA-N 345.442 4.233 0 40 EIAB CCCOc1ccc(NC(=O)N2CCC[C@H](COC)C2)cc1Cl 113548510 COZATOGTPGLCLH-ZDUSSCGKSA-N 340.851 4.019 0 40 EIAB OCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 216911094 VFQWIOZCIYNTFQ-UHFFFAOYSA-N 345.595 4.313 0 40 EIAB Cc1ncc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 222590920 HDKZXVHUOGNSSR-UHFFFAOYSA-N 339.782 4.483 0 40 EIAB O=C(NCCc1ccc(F)cc1)/C(=C/c1ccco1)c1ccccc1 223429934 JYPNWDGRJTXUBP-HMMYKYKNSA-N 335.378 4.318 0 40 EIAB Cc1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 224766388 MUTUIZDMJVBINP-UHFFFAOYSA-N 337.847 4.337 0 40 EIAB CCOc1ccccc1NC(=S)NCCSC1CCCCC1 225356776 UXVBKCFPCAWPBD-UHFFFAOYSA-N 338.542 4.438 0 40 EIAB CSc1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)s1 225381491 PXXYHCNLTFWPEV-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OC)c(F)c2)cc1 225391073 GXKQEYZAJUULEB-SFHVURJKSA-N 345.414 4.360 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCCSC2CCCC2)cc1 225442782 BHSFQQCBSNXETR-SFHVURJKSA-N 335.513 4.198 0 40 EIAB Cc1cc(NC(=O)c2ccccc2Cl)cc(Br)c1O 226242822 BCFCOIWHNCHOOA-UHFFFAOYSA-N 340.604 4.369 0 40 EIAB COC(=O)CCCCC(=O)c1ccc(Br)cc1Cl 575362312 UEFMNQHLDDEXHR-UHFFFAOYSA-N 333.609 4.019 0 40 EIAB CC(C)=Cc1c(C)cccc1C(=O)N[C@@]1(C(=O)O)CCc2ccccc21 685939946 BCBCPGVNKUOUPQ-QFIPXVFZSA-N 349.430 4.074 0 40 EIAB CC(C)N(C)Cc1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 1615538024 PFVNEWGZVYHQEG-HNNXBMFYSA-N 331.891 4.426 0 40 EIAB Cc1cc(C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)ccn1 1651662768 LYJUQKIJENZDCO-UHFFFAOYSA-N 345.374 4.128 0 40 EIAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C2(CCCCC2)O1 201126 XADDEUNOKRZRLW-LLVKDONJSA-N 342.222 4.198 0 40 EIAB Fc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 424476 UHKSJHFFGVYHBN-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB Cc1cccc(-n2ncc3c(NCc4ccccc4Cl)ncnc32)c1 426468 UDJBGEBQWUPIPF-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NC(=O)/C=C/c1cccs1 511743 BUSBJJDDLRTKCT-BQYQJAHWSA-N 336.869 4.236 0 40 EIAB O=C(O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1cccs1 1406544 XEAIMZYXBXPQHV-XOQYZJNISA-N 343.423 4.179 0 40 EIAB CCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OCC 2616757 NVFOCVADAYYJLW-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2625504 SZMGNTPOEGMDAW-UHFFFAOYSA-N 343.839 4.269 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1nc2ccc(F)cc2s1 3528548 MATABLMYPYDRQD-UHFFFAOYSA-N 330.384 4.070 0 40 EIAB O=C(Cc1cccc2ccccc12)OC[C@H]1CCCN2CCCC[C@@H]12 4029563 QWMBISUDXDWQJQ-CTNGQTDRSA-N 337.463 4.190 0 40 EIAB biogenic C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4174479 IOVFEZHGRVSDRP-GFCCVEGCSA-N 341.461 4.324 0 40 EIAB CCCC[C@@H](C(=O)Nc1ccc2c(c1)CCCCO2)N(CC)CC 4311084 BHYBAAIXRVBIQG-SFHVURJKSA-N 332.488 4.241 0 40 EIAB Cc1cc(C)c(NC(=O)C2(c3cccs3)CCOCC2)c(C)c1 4478977 URUMWXSPQUTDNT-UHFFFAOYSA-N 329.465 4.360 0 40 EIAB CCOc1ccc(-c2cnc(NCc3ccc(F)cc3)n2C)cc1 4678864 DCRVCKAXPCYDJQ-UHFFFAOYSA-N 325.387 4.237 0 40 EIAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccccc1F 4854250 POSJTEIBHJIUNS-LJQANCHMSA-N 341.430 4.075 0 40 EIAB Cc1cccc(C(=O)NCCc2nc3ccccc3n2CCC(C)C)c1 5234808 DZYORZVEEBDWQE-UHFFFAOYSA-N 349.478 4.363 0 40 EIAB aggregator CCOC(=O)c1cc(-c2ccc(F)cc2)nn1-c1ccc(C)cc1C 6155036 TXQRQGGCLAXQCX-UHFFFAOYSA-N 338.382 4.472 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O 6323923 MBJZWAPGMWCZFO-YRNVUSSQSA-N 344.205 4.035 0 40 EIAB CCC(CC)NC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O 6777820 XGBFNOKSBFWVAV-UHFFFAOYSA-N 349.471 4.101 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2ccc(Br)c(C)c2)s1 7951918 KUSINTUUOXUKTI-UHFFFAOYSA-N 338.226 4.274 0 40 EIAB CCOc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)cc1 8003742 KRUKICWJTOVQJQ-HXUWFJFHSA-N 344.430 4.150 0 40 EIAB CC(C)OCc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 8231125 LYOWWYSOYJVSAC-UHFFFAOYSA-N 349.434 4.109 0 40 EIAB CCCCCNC(=O)c1sc(COc2cccc(C)c2)nc1C 9251004 ITQWWRCDUHNKNR-UHFFFAOYSA-N 332.469 4.259 0 40 EIAB Cc1csc(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)n1 9690634 PQWXWBUKHQDFNU-JSGCOSHPSA-N 334.510 4.070 0 40 EIAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(-n2cccc2)cc1 9918751 OMMGPAPJWAZQIU-UHFFFAOYSA-N 334.419 4.067 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1OCC(F)(F)F 10115358 TWESCSNKEGYNFL-UHFFFAOYSA-N 348.324 4.290 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1C 11177881 SFVQVPVYKGPNLE-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB Oc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1 13121819 MTMNCZKFTUQNJT-UHFFFAOYSA-N 328.375 4.010 0 40 EIAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccnc2)N3)C1 13217749 LXKUVRGEYJNUFE-WBMJQRKESA-N 341.480 4.148 0 40 EIAB Nc1c(C(=O)NC2CCCCC2)sc(=S)n1C1CCCCC1 13547198 XAZZHZJJIHFNAE-UHFFFAOYSA-N 339.530 4.429 0 40 EIAB CN(C(=O)c1ccccc1NC(=O)c1ccccc1)C1CCCCC1 14003583 PJTPDERELRJKBV-UHFFFAOYSA-N 336.435 4.344 0 40 EIAB C[C@@H](NC(=O)COc1cccc2cccnc12)c1ccc(Cl)cc1 14214491 XPRBPLBXIKDZSE-CYBMUJFWSA-N 340.810 4.144 0 40 EIAB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCc2ccccc21 14909098 UEBVLCWGVWSKSG-UHFFFAOYSA-N 344.414 4.398 0 40 EIAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(F)cc1)=C2 15838671 CFCPLBRYUSPSEA-UHFFFAOYSA-N 345.757 4.416 0 40 EIAB Cc1occc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 16180730 BRVPROZCWJQHPK-UHFFFAOYSA-N 325.339 4.449 0 40 EIAB COc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)c(F)c1 19551791 MCACWKFKRPQDFE-INIZCTEOSA-N 348.468 4.426 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCn2cccc2[C@@H]1C 21579508 LXOFWEJPRZKBLA-HNNXBMFYSA-N 340.858 4.212 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)c1cn(C)c2ccccc2c1=O 22234240 IWXUXGCILBZVQD-UHFFFAOYSA-N 334.419 4.223 0 40 EIAB CCc1cc2c(NCCCc3nc4ccccc4[nH]3)ncnc2s1 24060039 QBZIDDMSKVGOJF-UHFFFAOYSA-N 337.452 4.175 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2F)c1 28303596 SYPFPBMTNPOSJW-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB O=c1[nH]c(CNc2cccc3c2CCCC3)nc2c1oc1ccccc12 30289778 XUJLFDNETICESI-UHFFFAOYSA-N 345.402 4.160 0 40 EIAB CCN(CC)CCCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl 31938831 OBALNJCALDIJID-AWEZNQCLSA-N 337.722 4.419 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CS[C@H](C)c1ccccc1 32909443 PDJZLTZEXSJHCN-LSDHHAIUSA-N 329.465 4.367 0 40 EIAB Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326223 FOSIFFHUEHVYFO-UHFFFAOYSA-N 338.432 4.212 0 40 EIAB N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 38127942 RZLPPZWSLSEFHW-AWEZNQCLSA-N 328.612 4.484 0 40 EIAB in-vitro Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1Cl 40296189 XUSBSWKCZDIZJO-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB Cc1cccc2c1ccn2CC(=O)Nc1nc(-c2ccncc2)cs1 61717882 CHVOIKLKFHNZIF-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB Cc1ccc(-c2nc(C(=O)NC(C3CC3)C3CC3)cs2)c(C)c1 63918522 JTCHMMWQMQRZFR-UHFFFAOYSA-N 326.465 4.345 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1(C)C 65493374 ICYFQUSHKHYEBU-WMLDXEAASA-N 327.403 4.188 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 69488957 YPCXDVMWYQRNNC-AWEZNQCLSA-N 348.402 4.002 0 40 EIAB CCc1nnc([C@H](C)Sc2nnc(NC3CCCCC3)s2)o1 71893896 DYKJGLKUKCCHGL-VIFPVBQESA-N 339.490 4.081 0 40 EIAB CC(C)c1ccc(CNC(=O)c2cn[nH]c2-c2cccs2)cc1 72329444 MSUAMHCIZCWGFO-UHFFFAOYSA-N 325.437 4.192 0 40 EIAB C[C@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccsc1 75142962 AYOLVKYJIDLDSM-ZBEGNZNMSA-N 341.436 4.218 0 40 EIAB CC(C)(C)c1cnc([S@](=O)Cc2ncc(-c3ccccc3)o2)s1 95413808 CZVJLJUGVLOTOO-QHCPKHFHSA-N 346.477 4.403 0 40 EIAB Cc1nccn1-c1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cn1 95420609 JWGXPNYWUHXCDJ-GOSISDBHSA-N 338.842 4.006 0 40 EIAB Cn1cc([C@@H]2CCCN2c2cnc3cc(Cl)c(Cl)cc3n2)cn1 96007362 WXMBGRSFEJDGQW-HNNXBMFYSA-N 348.237 4.012 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)NCC(C)(C)c1ccccc1 96011772 LFHUQPPMDIMYTB-UHFFFAOYSA-N 334.419 4.358 0 40 EIAB COC(=O)c1c(C(F)(F)F)nc2ccc(C)cc2c1Br 96171809 GFCFAFFJRCYIAV-UHFFFAOYSA-N 348.118 4.111 0 40 EIAB C[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Oc2cccnc2)c(F)c1 96478372 BKIJMQIGZFAWNR-KBPBESRZSA-N 340.402 4.158 0 40 EIAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1 101166962 USHIUJKTPUMJTC-MAUKXSAKSA-N 328.412 4.069 0 40 EIAB COCCn1c(-c2ccccc2OC)cs/c1=N/c1ccccc1 102962715 TXVSDIKCZDFVLK-FMQUCBEESA-N 340.448 4.104 0 40 EIAB CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 107142117 QLPZJFPABJLGHL-ZENOOKHLSA-N 342.405 4.003 0 40 EIAB CCCCn1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c(C)n1 184794041 RGYHHYYRRIKGJJ-UHFFFAOYSA-N 338.411 4.207 0 40 EIAB O=C(CCC1CC1)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 195531262 OTSPRZWFDQTRHX-KRWDZBQOSA-N 327.403 4.070 0 40 EIAB COc1ccccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 211140615 JRCALJQJOMXYBZ-SFHVURJKSA-N 327.449 4.016 0 40 EIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C(C)C 222928963 AGJCJBGKQCBHBI-ZWKOTPCHSA-N 342.512 4.093 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223250653 SFAVMEZRRUKYNA-INIZCTEOSA-N 337.463 4.302 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224113552 DTFAHFXAMFSNJG-UHFFFAOYSA-N 327.424 4.065 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224141950 FHFGHDZZXIZHTH-ZDUSSCGKSA-N 347.842 4.456 0 40 EIAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 224552644 UKDKQOPFYNEZMU-KRWDZBQOSA-N 348.506 4.370 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3C)o2)c1 224844081 UPYQSVNUKWLMDO-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB C[C@@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(F)cc1 225173824 MXFLXKZYULVOFF-SNVBAGLBSA-N 331.441 4.483 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)cc1 225308758 OJZRXOZANNVFQS-GOSISDBHSA-N 336.907 4.043 0 40 EIAB CC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc(OC)c(C)c1 225483545 VQRHAGPQPPOKFV-QGZVFWFLSA-N 347.480 4.050 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)CCc3ccccc3)cc2)no1 226097791 DYLFQOVJQNBQOW-UHFFFAOYSA-N 349.434 4.355 0 40 EIAB COc1cccc(NC(=O)NCc2ccnc(-c3cccs3)c2)c1 238849074 JANGBTLIVIOTRI-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1 390830567 LWZZNJXKVNARJX-HNNXBMFYSA-N 339.476 4.117 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C/[N+](=O)[O-] 408528931 XTLQERQULYSKEN-OFJXCKHESA-N 329.739 4.206 0 40 EIAB CC(=O)Nc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 408575608 OCHJVYMJMYFWDS-XSFVSMFZSA-N 346.386 4.417 0 40 EIAB Fc1ccccc1OCc1nc(SCc2ccc(Cl)cc2)n[nH]1 409384427 BJTBXMDXJKTLAX-UHFFFAOYSA-N 349.818 4.469 0 40 EIAB Cc1[nH][nH]c(=NC(=O)c2ccc(Cl)cc2Cl)c1-c1ccccc1 522168674 HYHXIRQLUQCCET-UHFFFAOYSA-N 346.217 4.366 0 40 EIAB Cc1cc(C)c2oc(C(=O)Nc3cccc4c3OCCO4)c(C)c2c1 526052278 PJXVMEOTGZAIEO-UHFFFAOYSA-N 337.375 4.382 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 64396 OREHHZRQOREYNN-UHFFFAOYSA-N 343.448 4.364 0 40 EIAB Cc1nc2ccc(Cl)cc2c(=O)n1-c1cccc(Br)c1 341551 RTWQMEZBOXWRAN-UHFFFAOYSA-N 349.615 4.110 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 385563 VPGXYTABQBPOKR-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)CSC3)c(C)c1 425777 VINRRHOFCLUMKM-UHFFFAOYSA-N 341.480 4.365 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1OCC 3334430 YXHNUEMXDCSUMB-CQSZACIVSA-N 345.414 4.043 0 40 EIAB O=C(O)C[C@@H](NC(=O)CCC1CCCCC1)c1ccccc1Cl 3399348 WSFFMRPPFDIXIY-MRXNPFEDSA-N 337.847 4.333 0 40 EIAB CCOc1ncccc1C(=O)N(c1ccccc1)c1nc(C)cs1 3422656 IKJZBQOAGSJWSE-UHFFFAOYSA-N 339.420 4.224 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033351 ZTQVZVRIBLHFLX-INIZCTEOSA-N 333.435 4.194 0 40 EIAB CCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050107 PVOVIWVQLRMNBU-UHFFFAOYSA-N 335.494 4.342 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4087755 OTCYOTFUBMRKMN-UHFFFAOYSA-N 339.420 4.245 0 40 EIAB C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 4098786 FMPNFDSPHNUFOS-YKCJDCANSA-N 345.527 4.419 0 40 EIAB in-vitro C[C@@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)c1ccccc1 4473202 ACVZUGFXVZXALK-CQSZACIVSA-N 327.383 4.389 0 40 EIAB CN(C)c1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)cc1 6609306 LVULWGNGYRQVLP-UHFFFAOYSA-N 340.858 4.419 0 40 EIAB O=C(CCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F 6650123 LDUOPYKRJHDCEW-UHFFFAOYSA-N 336.338 4.285 0 40 EIAB COc1cccc(Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 7024036 ULBOMRTVJSMXSR-UHFFFAOYSA-N 348.427 4.182 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)cc1F 7061126 IITUHHQKCQFNFV-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB Cc1cccc(NC(=O)CSc2nccn2-c2ccccc2C)c1 7282069 OHPOZUISEIPBSZ-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C)CC2)c1 7389231 OQJOQZWNMSSFRB-HXUWFJFHSA-N 338.451 4.107 0 40 EIAB S=C(NCCSCc1ccco1)Nc1ccc(Cl)cc1 7661324 SODXAWPVINYSKD-UHFFFAOYSA-N 326.874 4.153 0 40 EIAB Cc1nc2ccccn2c1/C=C/c1cc(C(=O)O)c2ccccc2n1 7985541 COMPTEXMQVLXLU-MDZDMXLPSA-N 329.359 4.060 0 40 EIAB CC(C)c1nccn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 8048494 NQJHTIJVOQVZLH-UHFFFAOYSA-N 332.469 4.291 0 40 EIAB Sc1nnc(-c2ccc3ccccc3n2)n1[C@H]1CCc2ccccc21 8766776 QPQIHEMLHRQKST-SFHVURJKSA-N 344.443 4.318 0 40 EIAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1 9074243 AEKZSPFKEKVOBF-UHFFFAOYSA-N 346.369 4.355 0 40 EIAB CCN1C(=O)Cc2cc(NC(=O)c3cccc4ccccc34)ccc21 10825507 CFNQMXWLPIGZDS-UHFFFAOYSA-N 330.387 4.001 0 40 EIAB Cc1oc(C2CC2)cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116101 XFGUTCIZUJIZEF-QGZVFWFLSA-N 335.407 4.319 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)on1 12422378 FMRUUZSMMDWGHR-UHFFFAOYSA-N 325.802 4.074 0 40 EIAB Cn1c(SCSc2nc3ccccc3n2C)nc2ccccc21 12574934 SBWOXTGBZGZFBY-UHFFFAOYSA-N 340.477 4.302 0 40 EIAB C[C@H](NC(=O)NCc1ccccc1)c1ccc(Br)cc1 12767864 JAXJQSWPHAXKHA-LBPRGKRZSA-N 333.229 4.010 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 15317550 FZKVHJMPBXXGOC-JTQLQIEISA-N 341.741 4.347 0 40 EIAB Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(Cl)c1 20343838 RJJJCNDGWLACPV-UHFFFAOYSA-N 345.613 4.247 0 40 EIAB COc1ccc(-c2nc(C(=O)N(C)Cc3ccsc3)cs2)cc1 21935821 QAIXRMLFFCDPOJ-UHFFFAOYSA-N 344.461 4.152 0 40 EIAB CCOc1c(Cl)cc(CNCCc2ccccc2F)cc1OC 22074638 GMVZQVOVHIBMMY-UHFFFAOYSA-N 337.822 4.219 0 40 EIAB O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc2ccccc2c1 23128033 XUPBCVTXKIHBED-UHFFFAOYSA-N 348.446 4.075 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(-c2cccnc2)cs1 24669761 PLVHSJGYLQVJSQ-UHFFFAOYSA-N 348.431 4.176 0 40 EIAB CCC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 26697138 WCBOXNNQKOJSMW-UHFFFAOYSA-N 337.301 4.045 0 40 EIAB Clc1ccc(-c2n[nH]c(SCCOc3ccccc3)n2)cc1 28832746 RNCNBIXPIHGSRV-UHFFFAOYSA-N 331.828 4.296 0 40 EIAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(Br)c1 29278404 WGXAOGIDYWXTTC-UHFFFAOYSA-N 342.196 4.092 0 40 EIAB CC(C)Oc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1 36559417 XHOIURDFPYKTHV-UHFFFAOYSA-N 349.430 4.322 0 40 EIAB CCc1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39750899 PMCMHLKGBOIDIZ-UHFFFAOYSA-N 340.442 4.239 0 40 EIAB COc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC 40097637 ZAHNYTQOUWOWIV-NSHDSACASA-N 334.803 4.240 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccco2)cs1 40111355 VGIMFXIANAZAQZ-UHFFFAOYSA-N 337.404 4.456 0 40 EIAB C[C@@]12CCC3(CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12)OCCO3 43618810 USGKSIJYOHEDEV-UNNPPQAFSA-N 330.468 4.261 0 40 EIAB CCN(C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2s1 44339530 AWGLYYOZWRMIJS-UHFFFAOYSA-N 348.431 4.149 0 40 EIAB CC[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)c1ccccc1 48202642 YJJFADSNILVQSE-SFHVURJKSA-N 333.391 4.401 0 40 EIAB Cc1ccsc1CNC(=O)Nc1cccc(Br)c1 48368554 MYUHJKSQFVWUSG-UHFFFAOYSA-N 325.231 4.141 0 40 EIAB COc1ccc(CNC(=O)[C@@H](Sc2ccccc2)C(C)C)cc1 58341739 SWKIJYACHZJBCP-SFHVURJKSA-N 329.465 4.128 0 40 EIAB CC(C)(C)NC(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1 66013900 KPRBNUAZQDTPGX-UHFFFAOYSA-N 330.472 4.058 0 40 EIAB CC[C@@H](C(=O)Nc1ccc(-c2nnc3n2CCC3)cc1)c1ccccc1 69708535 PFQYZSMHWNACIL-GOSISDBHSA-N 346.434 4.024 0 40 EIAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1OC 71978248 OPSVHDNVNLIVJG-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB Cc1[nH]c2ccccc2c1C1=CCN(Cc2nnc(C3CC3)o2)CC1 80916046 PVYXDXWOCMWCLE-UHFFFAOYSA-N 334.423 4.026 0 40 EIAB Brc1c2ccccc2c(Br)c2nsnc12 81991175 XGTQHVQKGZSPIK-UHFFFAOYSA-N 344.031 4.370 0 40 EIAB CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccncc1 86398546 BDQOMXVHPGSWAL-KSSFIOAISA-N 327.428 4.307 0 40 EIAB O[C@H]1CCCC[C@H]1Sc1nc(C(F)(F)F)nc2ccccc12 89866707 GXNHPMSUEAXYTG-NWDGAFQWSA-N 328.359 4.044 0 40 EIAB Cc1nnc(CN2CC[C@@H](c3cccc(Oc4ccccc4)c3)C2)o1 95405400 BJUOFCYDRSTVRE-QGZVFWFLSA-N 335.407 4.160 0 40 EIAB COc1ccc2c(c1)OCC[C@@H]2NCc1cnc(C2CCC2)s1 95415514 YONQPRWQZVVPFK-INIZCTEOSA-N 330.453 4.033 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1cccc(Cl)c1 206947196 AIYCCFNOXCRYRL-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c1 219065440 BJTAXIQYBGNYBZ-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CCCc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 224037929 LXWBHIOUKSVQFA-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB O=C(NCC1=CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 224533931 LMDBSQXRGPIANJ-UHFFFAOYSA-N 346.902 4.169 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COC 224691083 BZKUUYDWKQOGSN-ZDUSSCGKSA-N 347.842 4.376 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1ccc(Cl)cc1 225310117 WYKXWIFNZDLPOA-LJQANCHMSA-N 343.854 4.475 0 40 EIAB CC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCC1 225597046 DDZMUFCMTLBARD-UHFFFAOYSA-N 344.499 4.460 0 40 EIAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)nc1 225676316 AWKOPLFHJIHTEY-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 240886190 INQIVRNLMDHJOU-CTNGQTDRSA-N 349.434 4.117 0 40 EIAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cnc3ccccc3c2)ccn1 257257026 KNUZTZYPXMIRHW-FQEVSTJZSA-N 345.446 4.176 0 40 EIAB Cc1cc(C)c(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C 260802919 QURQGCPPFLVKQV-GOSISDBHSA-N 336.479 4.183 0 40 EIAB O=C(Nc1cccc(Oc2cccnn2)c1)c1coc2cc(F)ccc12 390833541 JBMUYDDTNGHSDY-UHFFFAOYSA-N 349.321 4.407 0 40 EIAB O=C(c1[nH]c2ccccc2c1Cl)N1CC=C(c2ccccc2F)C1 501569131 RDPIHRRLLFYUDP-UHFFFAOYSA-N 340.785 4.500 0 40 EIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CCCc2ccccc2)C1 575616947 LONZYBVXVABUAT-IBGZPJMESA-N 347.462 4.141 0 40 EIAB CCN(Cc1ccccn1)c1ccc([S@@](=N)(=O)C(F)(F)F)cc1 585092705 JSXJCTFYHBEQNC-HSZRJFAPSA-N 343.374 4.034 0 40 EIAB C[C@@H]1C[C@@H](Nc2nc(-c3ccnc(C(F)(F)F)c3)cs2)CCO1 1615044444 DUBWVTFDZVNMGK-KOLCDFICSA-N 343.374 4.203 0 40 EIAB CCn1cncc1[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1F 1615572251 REFMNFQHLOCAFZ-HNNXBMFYSA-N 330.407 4.110 0 40 EIAB C[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[C@@H]1c1ccccc1 1641879530 JUQYNNPYDABHCC-YOEHRIQHSA-N 344.405 4.029 0 40 EIAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)Nc1ccccc1F 1775969002 RNCJGEZNBGQFCT-AWEZNQCLSA-N 346.383 4.002 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 268384 KUNXFPFUKVXMES-UHFFFAOYSA-N 329.347 4.107 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 345222 NGYTYRZDFKUWIZ-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB Fc1ccccc1CSc1nncn1NCc1ccc(Cl)cc1 386368 VICMPBQHMITMKZ-UHFFFAOYSA-N 348.834 4.107 0 40 EIAB Cc1cccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)c1 411634 HKGGFLKEBGHMBY-UHFFFAOYSA-N 343.839 4.409 0 40 EIAB O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCCCCC1 1332684 PXWKAONCCRXOFI-UHFFFAOYSA-N 341.480 4.002 0 40 EIAB COc1cc(NCCCCCCNC(C)C)c2ncccc2c1OC 1683236 HXWHRZRMOJKAAC-UHFFFAOYSA-N 345.487 4.222 0 40 EIAB CCOc1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1913913 FWSRRVPKUOPBJW-UHFFFAOYSA-N 327.424 4.500 0 40 EIAB COc1ccc([C@@H](CCNC(=O)[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 2148432 BNSRXZJARXDPQG-MJGOQNOKSA-N 347.499 4.146 0 40 EIAB biogenic CCC(=O)c1cc(C)ccc1OCC(=O)Nc1c(C)cccc1C 2652677 BTOREFNDIGHFTK-UHFFFAOYSA-N 325.408 4.222 0 40 EIAB CSCc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 3402586 UGBYODDYCIHLAP-UHFFFAOYSA-N 341.388 4.277 0 40 EIAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cc(Cl)ccc1O 4119351 GAYLSZCQODKILC-UHFFFAOYSA-N 342.565 4.153 0 40 EIAB C[C@H](c1ccccc1)[C@@H](CC(=O)O)C(=O)Nc1ccc(Cl)cc1 4592072 YCFPMUGWEZOBGH-MLGOLLRUSA-N 331.799 4.173 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C)s1 5054254 UVRYWZFXRRKIKS-QWRGUYRKSA-N 335.498 4.479 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 5411348 QODCZXNALAJTCO-UHFFFAOYSA-N 325.408 4.088 0 40 EIAB CCCCOc1ccc(-c2nc(OC)c(CCCC)c(=O)o2)cc1 5793204 FDVPIHHERVGGGI-UHFFFAOYSA-N 331.412 4.232 0 40 EIAB C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)c1ccc(F)cc1 6821537 XZOSPBVSCWHKFO-CQSZACIVSA-N 337.350 4.045 0 40 EIAB CCn1c(CNc2ncnc3sc(C)c(C)c23)nc2ccccc21 7738604 GURKDLITKJYIFL-UHFFFAOYSA-N 337.452 4.290 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1 8208736 MKVWCEHWKOCPAU-UHFFFAOYSA-N 336.460 4.464 0 40 EIAB c1ccc(-c2cc(CSc3nncn3-c3ccccc3)no2)cc1 8210857 XTIAJBTUTBUDRA-UHFFFAOYSA-N 334.404 4.215 0 40 EIAB COc1ccc2c(c1)CCc1cc(C(=O)N[C@@H](C)C(C)C)sc1-2 8344616 HRQJFHOLAFWALG-LBPRGKRZSA-N 329.465 4.297 0 40 EIAB Cc1ccc(C)c(OCCSc2nc(-c3cccs3)n[nH]2)c1 8491741 MZIAAVYUMPGRDK-UHFFFAOYSA-N 331.466 4.321 0 40 EIAB Cc1ccc(N/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 8491806 FNDWKLTULACYQT-GDNBJRDFSA-N 343.224 4.187 0 40 EIAB COc1c(C)cccc1C(=O)Nc1nc2c(C)ccc(C)c2s1 9141239 CWAOSQAIXLKKQP-UHFFFAOYSA-N 326.421 4.482 0 40 EIAB COc1ccc(OCCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 9217523 WFZMRXQAJNVSNK-INIZCTEOSA-N 349.430 4.495 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 9302732 LBBADJLOJBGLCK-KPKJPENVSA-N 334.375 4.311 0 40 EIAB O=C(/C=C/c1ccsc1)Nc1cc2c(cc1Cl)OCCCO2 9366772 RILFMGVENCEZQH-NSCUHMNNSA-N 335.812 4.215 0 40 EIAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1 9725706 XITDATFFFWFVGE-ONEGZZNKSA-N 337.263 4.360 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cccs1 9827848 MDULDINJSWRICC-UHFFFAOYSA-N 336.372 4.358 0 40 EIAB COC(=O)c1sccc1NC(=O)Cc1coc2cc(C)c(C)cc12 12788829 WQNNJRSVLGRUBQ-UHFFFAOYSA-N 343.404 4.079 0 40 EIAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(C(F)(F)F)c1 12793191 SQVNWLWLEGDFPZ-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB COc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1 13123211 HLVGEAXWIMPDJQ-UHFFFAOYSA-N 341.798 4.069 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccccc3C(F)(F)F)cc(=O)c2c1 16806520 FRXCVETVLXUSNT-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB CCCCCC/[S@@](CCC)=N/S(=O)(=O)c1ccc(C)cc1 17379935 SXEAYGFWFXWDTI-FQEVSTJZSA-N 329.531 4.476 0 40 EIAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1ccccc1 19538642 HROUWELAQBXPTR-OAQYLSRUSA-N 330.431 4.199 0 40 EIAB CO[C@H](C(=O)NCCSCc1cccc(Cl)c1)c1ccccc1 20238630 CGRGDSAYOZTENL-KRWDZBQOSA-N 349.883 4.077 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(F)cc2)cc(C)c1Cl 20454511 NSOJETOLALSNGY-CYBMUJFWSA-N 335.806 4.180 0 40 EIAB CC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1COc1ccccc1 22157723 KJOMXXNSIWKILN-AWEZNQCLSA-N 338.359 4.146 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCC1CCCC1 27921276 OJJZHAFGPSCKQO-UHFFFAOYSA-N 325.456 4.457 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182702 KHNHTFMVZRQCPT-KWQFWETISA-N 326.343 4.423 0 40 EIAB CCN(CC)C(=O)c1sc2nc3cc(C)c(C)cc3cc2c1N 35291648 BJBXUFIXPVODLQ-UHFFFAOYSA-N 327.453 4.131 0 40 EIAB O=C1C(O)=C[C@]2(c3cccc(Cl)c3Cl)Nc3ccccc3N12 36612433 WWDZHIYVZWQXLG-INIZCTEOSA-N 333.174 4.060 0 40 EIAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832245 TXMJCTOEONBPQY-TZMCWYRMSA-N 343.298 4.120 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c(C)c1 38856040 IFZCKBLATFWZED-FQEVSTJZSA-N 336.479 4.463 0 40 EIAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccco1 40457501 MSOPAMAFHJJZGW-UHFFFAOYSA-N 342.420 4.107 0 40 EIAB O=C(Nc1nncs1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 40554461 HGBDUSQAIKRSFR-LLVKDONJSA-N 343.239 4.214 0 40 EIAB CCCCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1 41091709 AJYVZPURWNVVGY-UHFFFAOYSA-N 347.480 4.193 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 41285687 HKLJZVKLDYGHGL-LLVKDONJSA-N 339.313 4.120 0 40 EIAB CC(=O)c1c[nH]c(C(=O)N2CC=C(c3cccc4ccccc34)CC2)c1 58217491 SVNOLBCCUYBPCO-UHFFFAOYSA-N 344.414 4.300 0 40 EIAB CCn1c(CSc2nnc(SC)s2)nc2cc(F)ccc21 66256330 WKCMOQOALSSZEL-UHFFFAOYSA-N 340.474 4.061 0 40 EIAB CCOC(=O)c1n[nH]cc1-c1c(-c2ccccc2)ncn1C1CC=CC1 67674862 IYOVBWLCBBPLID-UHFFFAOYSA-N 348.406 4.008 0 40 EIAB CCn1nc(C)c(NC(=O)c2cc(OC(C)C)c3ccoc3c2)c1C 71195351 HVIQOCOZOFEISB-UHFFFAOYSA-N 341.411 4.306 0 40 EIAB O=C(C1CCC1)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72288564 ASBGUMDHWOIDRI-MRXNPFEDSA-N 329.831 4.194 0 40 EIAB COc1ccc(/C=C2/N=C(C)N(c3ccc(Cl)cc3)C2=O)cc1 75271501 VZOYLQSGYNUXJB-GZTJUZNOSA-N 326.783 4.155 0 40 EIAB Cc1cc(CN2CCC[C@H]2c2noc(C3CC3)n2)c2ccccc2n1 84083431 XFMXMXBKSOXTBY-SFHVURJKSA-N 334.423 4.141 0 40 EIAB O[C@@H](CN1CCC[C@H]1CCc1ccccc1)c1ccc(F)c(F)c1 84528465 YCFGZWFARNPSFM-PXNSSMCTSA-N 331.406 4.095 0 40 EIAB CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 95869943 LMVLICSGVDWDSM-PAJIKSTKSA-N 344.495 4.037 0 40 EIAB COc1ccccc1-c1cccc(NC(=O)NC2(C)CCOCC2)c1 96495524 KJMGIYJGCQVRKT-UHFFFAOYSA-N 340.423 4.053 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1CC1(Cl)Cl 97427161 UITOKHSTCDFHHQ-JTQLQIEISA-N 345.226 4.005 0 40 EIAB COc1cc(NC(=O)c2ccccc2OC(C)C)c(OC)cc1Cl 105941516 MFZFJXRXOYASAC-UHFFFAOYSA-N 349.814 4.397 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)[C@H]1C[C@H]2CC[C@H]1C2 108071620 QXEPLJMGGYGXHK-MKBNYLNASA-N 340.448 4.215 0 40 EIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1 219025114 VJJJYAJUMBPWSW-KRWDZBQOSA-N 333.431 4.356 0 40 EIAB Cc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222756305 YJLAZSCDECCFCR-GOSISDBHSA-N 339.435 4.101 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 223735060 IYIHUBYJQYVOLD-UHFFFAOYSA-N 349.521 4.353 0 40 EIAB Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2Cl)c1C 223897009 DILKOVLFKBBPRM-UHFFFAOYSA-N 338.234 4.419 0 40 EIAB CCc1cccc(CC)c1NC(=O)C1(c2ccccc2)CCOCC1 225618593 LWRABVFTFTWGRR-UHFFFAOYSA-N 337.463 4.498 0 40 EIAB CC(C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)c2cccnc12 225879512 PKGFCURJRAJXGL-UHFFFAOYSA-N 347.629 4.331 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1N 226265498 NYMNNLXCOPXKPK-UHFFFAOYSA-N 325.456 4.491 0 40 EIAB CCCN(CCC)c1ccc(N)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 226323631 CEIOJRKNTZTLKK-HOTGVXAUSA-N 331.504 4.298 0 40 EIAB O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 245237852 ZKECQDSQCJMSJV-OLZOCXBDSA-N 341.282 4.444 0 40 EIAB Cc1ccc(N(C(=O)c2cc(C3CC3)no2)C2CCCCC2)nc1 252492219 MFVHCBUOLZPIJR-UHFFFAOYSA-N 325.412 4.235 0 40 EIAB Cc1cc2cc(C(=O)N3CCC[C@H](c4nccs4)C3)ccc2o1 257245369 IPDSKJNJVUQFGV-AWEZNQCLSA-N 326.421 4.218 0 40 EIAB CC(C)COc1ccc(C(=S)N2CCc3ccccc3C2)cc1 409197152 XEZOZZAGAWBHHA-UHFFFAOYSA-N 325.477 4.455 0 40 EIAB C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C)c1ccc(Oc2ccccc2)cn1 528005689 LBDAWVQNBQYXJB-YTKSKTJISA-N 326.440 4.336 0 40 EIAB C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(c2ccnc(Cl)n2)CC1 1615003026 AHTLPFJOOWQIHS-DZGCQCFKSA-N 335.879 4.052 0 40 EIAB C[C@H](c1ccccc1)N1C[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]21 1857793338 UUSBFMLVGPMZAK-NXHRZFHOSA-N 330.472 4.079 0 40 EIAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)cc1Cl 98264 QBUOAZLZAJGXKY-UHFFFAOYSA-N 347.201 4.084 0 40 EIAB COc1ccc([C@@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@@H]32)cc1 211643 OEQNJRVAURILHT-APWZRJJASA-N 331.419 4.096 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)c(OC)c1 415470 MWWNUJNGECPRCJ-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB O=C(CSc1ccc(-c2ccccc2)nn1)Nc1cccc(F)c1 5107747 WOJOPWQUZKQZDP-UHFFFAOYSA-N 339.395 4.014 0 40 EIAB COc1cc(OC)c(OC)cc1/C=C/c1nc2ccccc2s1 5130097 JPYUAQHFVZDAOO-CMDGGOBGSA-N 327.405 4.493 0 40 EIAB CCCCNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146427 ALNVMDBRJCKKDK-UHFFFAOYSA-N 347.871 4.175 0 40 EIAB O=S(=O)(Nc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 6416343 JQMSSVOQFKVUAK-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB O=C(Nc1ccncc1)c1ccccc1COc1ccc(F)cc1F 6829314 GBUWUKPSZHQYNK-UHFFFAOYSA-N 340.329 4.191 0 40 EIAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(Cl)cc1Cl 7138827 JONGDBIZXUMBHC-SECBINFHSA-N 334.206 4.361 0 40 EIAB Cc1ccc(C)c(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 7823794 OISLMJWSIURYJH-UHFFFAOYSA-N 347.462 4.095 0 40 EIAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(F)c3)c2C)cc1 7917763 BJGODDSEAYKPFG-UHFFFAOYSA-N 337.398 4.248 0 40 EIAB CCC(C)(C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 8132464 KDJQXSULVABSQQ-LJQANCHMSA-N 340.467 4.462 0 40 EIAB COc1ccc(CN(C)C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 9365378 LZXODVZSLWGFRY-UHFFFAOYSA-N 348.830 4.330 0 40 EIAB c1ccc(CCc2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 9531440 UGRJWXYAMNMUBZ-UHFFFAOYSA-N 346.415 4.384 0 40 EIAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 9547483 VTIUNJIJTWELOI-GFCCVEGCSA-N 347.484 4.041 0 40 EIAB S=C(Nc1ccc(Br)cc1)N1CCc2ccccc2C1 11027297 HLYQLHMHOCSIEV-UHFFFAOYSA-N 347.281 4.204 0 40 EIAB O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1ccc2c(c1)OCO2 11858633 QGWLPHVXYOLGBB-OWOJBTEDSA-N 345.354 4.200 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)Nc2cccc(C)n2)on1 12608222 QSIRJFPJHYKCPM-UHFFFAOYSA-N 339.420 4.231 0 40 EIAB C[C@H](NC(=O)Cc1noc2ccccc12)c1cccc(C(F)(F)F)c1 14200305 PZVZIVJATPAGCF-NSHDSACASA-N 348.324 4.267 0 40 EIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NC1CCCCCCC1 14267283 XYTQTANXZQLGTB-UHFFFAOYSA-N 334.485 4.248 0 40 EIAB Cn1c(Cl)cnc1CN1CCC[C@@H]1c1nc2ccccc2s1 14670807 PWSNBYJWHGVQRI-GFCCVEGCSA-N 332.860 4.020 0 40 EIAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 15055833 IXTOZTHYDCUXSC-DHDCSXOGSA-N 345.807 4.243 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 15317549 FZKVHJMPBXXGOC-SNVBAGLBSA-N 341.741 4.347 0 40 EIAB COc1cc(NC(=O)c2ccc(Cl)cc2F)c(OC)cc1Cl 15611166 HGBCPWSJGCSYIK-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB CC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2 19320199 YRAWKOXBZUEKEN-UHFFFAOYSA-N 348.490 4.312 0 40 EIAB biogenic CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 20453292 OILQJLLDXIZRFJ-QGZVFWFLSA-N 341.451 4.094 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 21368982 GBTWOZZJKPSUQO-CVEARBPZSA-N 349.430 4.493 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1)C1CC1 22551521 GLYJNZHERCOAIX-IBGZPJMESA-N 334.419 4.012 0 40 EIAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 22762818 DJZFFTXJURCEHM-ULRUDBTPSA-N 329.406 4.440 0 40 EIAB Fc1ccc(Oc2ncnc3ccsc23)c(Br)c1 24717119 DCOIIUHDYIDHER-UHFFFAOYSA-N 325.162 4.385 0 40 EIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)C1=Cc2ccccc2CC1 25675619 UAIMQLINPRGWSX-FQEVSTJZSA-N 339.460 4.044 0 40 EIAB CC(=O)N(Cc1ccco1)[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 32105243 HHJMAKRZTPNGIZ-NRFANRHFSA-N 349.386 4.146 0 40 EIAB O=C(Nc1ccc(Cl)c2ncccc12)c1cnn(-c2ccccc2)c1 32909749 TVYLZNKUIKFKHD-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB CN(C)C1(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CCCC1 32921875 JKAMJEOJZXGHND-UHFFFAOYSA-N 346.858 4.204 0 40 EIAB CCOC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 44200637 MOTCFMNUJWFPPX-UHFFFAOYSA-N 335.197 4.205 0 40 EIAB O=C(c1cc(Cl)ccc1F)N1CCC(Nc2ccccc2)CC1 48291812 DGANGUKJHFSTRA-UHFFFAOYSA-N 332.806 4.196 0 40 EIAB CCOc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1 57486246 DQCAGFGIVMABQY-UHFFFAOYSA-N 338.432 4.246 0 40 EIAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 64467955 APERTJGMBDMANE-UHFFFAOYSA-N 327.858 4.171 0 40 EIAB COc1c(CN[C@@H]2CCSc3ccc(F)cc32)c(C(C)C)nn1C 65474786 MXDMDLQRUCTVDK-OAHLLOKOSA-N 349.475 4.018 0 40 EIAB CCOC1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 69626355 RFQCZGALFOGVMB-UHFFFAOYSA-N 333.497 4.119 0 40 EIAB CC(=O)NCc1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)s1 69774651 DIQZPSJWZUZGOK-UHFFFAOYSA-N 344.480 4.056 0 40 EIAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc(C)c(C)c2)cc1 71416023 UBHFFDUAEINZEV-IBGZPJMESA-N 327.449 4.086 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCCC[C@@H]1c1nccs1 72285903 NKBIUORBGBHHAM-SQWLQELKSA-N 330.428 4.140 0 40 EIAB CC(C)CCO[C@H]1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 75107286 KTKCJRJEHUBAFY-INIZCTEOSA-N 349.519 4.039 0 40 EIAB Fc1ccc([C@H]2CN(Cc3ccncc3Cl)CCO2)cc1Cl 75685605 WBNNBMFKYWADTF-MRXNPFEDSA-N 341.213 4.101 0 40 EIAB O=C(Nc1ccc2c(c1)COC2)c1csc(-c2ccc(F)cc2)n1 91678353 RCIYOPCUVBPYHL-UHFFFAOYSA-N 340.379 4.232 0 40 EIAB Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCc3nccn3C)cc2)o1 95419411 NOZQKQSGAGPWKX-HZPDHXFCSA-N 339.439 4.312 0 40 EIAB C[C@@H](NC(=O)Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 98020691 FNBUYXDNGZZTJT-SNVBAGLBSA-N 342.748 4.174 0 40 EIAB O=C(CN(C1=NCCS1)c1ccccc1)c1ccc(Cl)cc1 98027846 KSAQBKVPAQMOON-UHFFFAOYSA-N 330.840 4.132 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(Cl)c(Cl)c1 100189158 QMOOQOPCUWJKBH-SJKOYZFVSA-N 334.250 4.354 0 40 EIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223080482 QDXVBYUQFWHOJJ-QZTJIDSGSA-N 341.480 4.288 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224153984 DKJAPMFUKRADDW-CYBMUJFWSA-N 347.842 4.456 0 40 EIAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224290712 ADADLZYZQPBLER-UHFFFAOYSA-N 338.342 4.360 0 40 EIAB O=C(Cc1cccc(Cl)c1)NCc1cccc(C(F)(F)F)c1 224456200 LZFOSDKGVUDNCV-UHFFFAOYSA-N 327.733 4.218 0 40 EIAB Cc1ccc(C)c(CC(=O)Nc2nnc(SCC(C)C)s2)c1 224619598 SRLCISCNLIXABE-UHFFFAOYSA-N 335.498 4.084 0 40 EIAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(SC)cc2)c1 225503367 SNWDSCULNLTWAW-UHFFFAOYSA-N 349.521 4.012 0 40 EIAB Cc1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1C 225792921 JORUYCXFRFQJQM-UHFFFAOYSA-N 331.419 4.245 0 40 EIAB Nn1c(Cc2ccccc2)nnc1SCc1ccc2ccccc2c1 409096279 JZKKLZASQGTOJK-UHFFFAOYSA-N 346.459 4.028 0 40 EIAB CCC[C@H]1CCCCN1Cc1oc(-c2ccccc2)nc1C(=O)O 515066867 XECCHNDIJHXJGL-HNNXBMFYSA-N 328.412 4.194 0 40 EIAB C[C@H](Oc1cccc(Br)c1)c1nnc(-c2ccoc2)o1 1117193941 WPDLFDAPUYGERD-VIFPVBQESA-N 335.157 4.232 0 40 EIAB Cc1cc(N2C[C@H](C)O[C@H](c3ccsc3)C2)nc(C2CCC2)n1 1559136690 AJFHPOQGATUMJE-BBRMVZONSA-N 329.469 4.080 0 40 EIAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CC(OC(C)C)C1 1615582320 WHLXATDNJBTKPU-KLAILNCOSA-N 332.488 4.137 0 40 EIAB CCCc1nc(CSc2ncc3c(n2)CC(C)(C)CC3=O)cs1 1652086283 JAFJKIMUQYMRJL-UHFFFAOYSA-N 347.509 4.333 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2nc3ccc(C)cc3s2)c1 371533 RZYULTNTQPJZQT-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(F)cc2)cs1 1386177 FQJNMUIRHGOAFE-UHFFFAOYSA-N 342.424 4.446 0 40 EIAB Cc1ccc(C(=O)c2cccc(CN3CCSCC3)c2)c(C)c1 2515289 YHMXOZAULKTQLE-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB O=C(COc1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21 3355592 MNQUXNOBBYVKHS-OAQYLSRUSA-N 331.415 4.412 0 40 EIAB CCOc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1 3496970 ICUTURIJDYAIJD-UHFFFAOYSA-N 346.843 4.007 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 4173469 XWHOWKOSIKXHKL-UHFFFAOYSA-N 344.219 4.484 0 40 EIAB O[C@H]1c2ccccc2-c2ccc(NCc3ccc4c(c3)OCO4)cc21 4830461 LBHMPCQARLFUQV-NRFANRHFSA-N 331.371 4.090 0 40 EIAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)c1C 4857030 FOZXPCHROMNVJF-ZNXRZULTSA-N 343.540 4.138 0 40 EIAB CCc1c(C(=O)Nc2cc(Cl)ccc2OC)[nH]c(C)c1C(C)=O 5026150 WVNRZOZQUSMATA-UHFFFAOYSA-N 334.803 4.002 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 5235149 JUTOPTUNWKLUEA-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB O=C(NCCc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1 5296053 LRDSFCGKVYAPQT-UHFFFAOYSA-N 341.357 4.414 0 40 EIAB O=C(OCc1c(Cl)cccc1Cl)c1ccc2nccnc2c1 5421437 VWMNVHMTFNYGNY-UHFFFAOYSA-N 333.174 4.294 0 40 EIAB Cc1nc(C(=O)NCCCc2ccccc2)cc2c1[nH]c1ccccc12 6075828 PAANQTGBEZAWGJ-UHFFFAOYSA-N 343.430 4.387 0 40 EIAB biogenic CCc1cccc(C)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 8755901 JORFPYLEWAJMPE-UHFFFAOYSA-N 343.295 4.434 0 40 EIAB Cc1nc(NC(=O)Cc2csc(-c3ccsc3)n2)sc1C 8775505 KURXBIXOUFVCSH-UHFFFAOYSA-N 335.479 4.126 0 40 EIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 9691861 ALTHJSTVARDNQH-CYBMUJFWSA-N 329.421 4.017 0 40 EIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(C)c1 12562722 MNKNYVIYSABVKA-OXQOHEQNSA-N 336.435 4.049 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1C 12695960 VCOKNIWCNQALHW-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB COc1cccc(-c2nc(N3CCCCC3)c3ccccc3n2)c1O 13127737 YISDUNRGVWSYLP-UHFFFAOYSA-N 335.407 4.001 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)cc1 13931708 BKICZWLGABXOHF-MRXNPFEDSA-N 344.480 4.450 0 40 EIAB Cc1nn(-c2nc3ccccc3o2)c(O)c1Cc1ccccc1Cl 14607877 SXGYSGJFTYCUGW-UHFFFAOYSA-N 339.782 4.272 0 40 EIAB O=C(Nc1ccccc1Br)c1ccc2ncsc2c1 15350020 LUBMPMQJCNYUDX-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc2ccc(C)nc12 15835278 MSGDHWHNBYPCAX-QGZVFWFLSA-N 338.382 4.478 0 40 EIAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN2Cc2ccnn2C)n1 19691996 KXUJFYFVDNAGME-JOCHJYFZSA-N 346.478 4.051 0 40 EIAB Cc1cc(Cl)cc2sc(NC(=O)C(C)(C)Br)nc12 20133124 YVAXDUNNSZDWQF-UHFFFAOYSA-N 347.665 4.370 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NCc2cccc(Br)c2)c1 20187458 BMBZMYBTMVCHOD-LBPRGKRZSA-N 347.256 4.258 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1Cl 21149558 VMDBUZKUAQTMQD-UHFFFAOYSA-N 334.784 4.317 0 40 EIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCCCC1 21962877 ITOZGUDPJOISEP-UHFFFAOYSA-N 332.831 4.377 0 40 EIAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1OC 22533628 JYITZFRWINLCJH-VKUYVZBCSA-N 345.826 4.248 0 40 EIAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)s2)c(OC)c1 22757874 GZUBHPKZLYYWKF-XBXARRHUSA-N 338.812 4.175 0 40 EIAB COc1ccc(NC(=O)CCc2ccc(F)cc2)cc1OC(F)F 23077367 KNTRDUIOYVOOFO-UHFFFAOYSA-N 339.313 4.007 0 40 EIAB CC(=O)c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 27467218 QOGODJBWLVODPJ-UHFFFAOYSA-N 340.379 4.404 0 40 EIAB CCOc1c(Cl)cc(C(=O)NCc2csc(C)n2)cc1Cl 28251503 BYTDWVDENKMHAU-UHFFFAOYSA-N 345.251 4.087 0 40 EIAB CN(C(=O)/C=C/c1ccc2c(c1)CCO2)[C@H]1CCCc2ccccc21 29258993 ROULEBTXPKPSKH-XETPZZHUSA-N 333.431 4.171 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 30567716 PNFUXUMLEQXXLD-SNVBAGLBSA-N 344.358 4.126 0 40 EIAB CC[C@H](C(=O)N1CCC(c2nnc(C(C)C)o2)CC1)c1ccccc1 35597640 NMWWXZVVGFCPIO-KRWDZBQOSA-N 341.455 4.093 0 40 EIAB C[C@H](CCN1CCOCC1)c1ccc(COc2ccccc2)cc1 38928088 LFTCCKXNJAFWEE-GOSISDBHSA-N 325.452 4.091 0 40 EIAB biogenic CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1ccccc1 39428376 CMTFGZGNMSOJAS-SFHVURJKSA-N 331.843 4.464 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(C)c1 46394082 ZQHBDCPFMYNONF-UHFFFAOYSA-N 344.842 4.020 0 40 EIAB CCOc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1 53346598 RQEJTCTYXLLVEH-UHFFFAOYSA-N 343.766 4.097 0 40 EIAB CCCn1c(SCCCc2ccccc2)nnc1-c1ccncc1 57476417 XUYHOYJMWAHTRK-UHFFFAOYSA-N 338.480 4.475 0 40 EIAB c1ccc2c(c1)OC[C@@H](CNC1c3ccccc3-c3ccccc31)O2 58121828 RPZIYOZJKZFRQS-OAHLLOKOSA-N 329.399 4.186 0 40 EIAB O=C(NOCc1ccccc1)c1sccc1-c1ccc(F)cc1 58305363 DRQHALXHGZTDTC-UHFFFAOYSA-N 327.380 4.416 0 40 EIAB FC(F)Oc1ccc2c(c1)CCC[C@H]2NCc1cccc2c1OCO2 58477530 RZRRQZSCVCEACS-MRXNPFEDSA-N 347.361 4.184 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351953 VRGATOQOKUFIIC-SCLBCKFNSA-N 347.842 4.383 0 40 EIAB Cc1cc([C@H](C)NC(=O)Nc2ccccc2Cn2cccn2)c(C)o1 67664368 WTWRYMGLQZFDRF-AWEZNQCLSA-N 338.411 4.024 0 40 EIAB CCCN(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1cccc2ccccc12 69176583 SIENSRIKRFYFHN-RTBURBONSA-N 333.435 4.120 0 40 EIAB CC[C@@H](C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 71909321 HQHOZSKAEILDHA-CMJOXMDJSA-N 329.465 4.120 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 71909711 ARVZUNIDOCXPLD-UHFFFAOYSA-N 339.395 4.251 0 40 EIAB CC(C)Oc1ccc(CNCc2cscn2)c(C(F)(F)F)c1 71924613 RGIHLJZEDINQRG-UHFFFAOYSA-N 330.375 4.239 0 40 EIAB COc1cccc(-c2cncc(C3CCN(C4CCCC4)CC3)n2)c1 72359259 XRPAUMDJOKIFML-UHFFFAOYSA-N 337.467 4.274 0 40 EIAB COCCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 79070852 BPQIBUYZHRXTIQ-NSHDSACASA-N 330.255 4.256 0 40 EIAB O=[S@](Cc1nnc(Cc2ccccc2)o1)c1ccc2ccccc2c1 83078032 RXCCIBRVQXDXSZ-VWLOTQADSA-N 348.427 4.121 0 40 EIAB CC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CSc3ccccc32)c1 89292077 OMQPKZMUDJIPTP-ZDUSSCGKSA-N 331.824 4.371 0 40 EIAB CN(Cc1csc(-c2ncccn2)n1)Cc1c(F)cccc1Cl 95352989 DLLQOZJTVDOPIV-UHFFFAOYSA-N 348.834 4.025 0 40 EIAB CC[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 95419436 YKLOBPSZXMXIHS-FOIQADDNSA-N 348.450 4.004 0 40 EIAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 101275221 YZSFYYDTCYKGRT-OAHLLOKOSA-N 349.217 4.046 0 40 EIAB OC1=C2Nc3ccc(Cl)cc3N=C2O[C@H]1c1ccc2c(c1)OCO2 104240127 ZTDASERBCLKFPW-INIZCTEOSA-N 342.738 4.065 0 40 EIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N2CCCC[C@@H]2CC)cc1 105884279 OUMBSRGZPCIPGD-ICSRJNTNSA-N 344.499 4.013 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](c2nc3ccccc3o2)C1 107490210 RWJMHIAFKAHNLJ-LUKYLMHMSA-N 338.451 4.360 0 40 EIAB Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)CCc2cccn2C)o1 176026869 OLLXMDMNGUZXPA-YJBOKZPZSA-N 343.471 4.184 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222839475 NQUPEMQBQBQTKZ-AWEZNQCLSA-N 347.842 4.083 0 40 EIAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc2c(c1)CCCC2 222955381 IFMBWCASNUTABL-AWEZNQCLSA-N 343.854 4.475 0 40 EIAB CC(C)Oc1ccc(CNC(=O)Cc2ccc(Cl)cc2F)cc1 223596998 KLUXYXSLQSITSF-UHFFFAOYSA-N 335.806 4.125 0 40 EIAB Cc1nc(NC(=S)NCc2ccc(Cl)cc2)ccc1Cl 223928603 TWMXGSXUIPVOKY-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB Cc1c(Br)cnc(NC(=S)NC2CCCC2)c1Cl 224033731 VIUKRJITFZYGGY-UHFFFAOYSA-N 348.697 4.035 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1ccc(Cl)cc1 224153764 VHNAZGRUKVDWQC-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1 224458482 OIWRFQNYAVNRPC-NRFANRHFSA-N 349.430 4.192 0 40 EIAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COCC(C)C 224734547 DDJYNBDSVHLNDA-UHFFFAOYSA-N 341.451 4.188 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCSC2CCCC2)c1 225382257 UOZFIQLQDBKKOB-UHFFFAOYSA-N 337.554 4.329 0 40 EIAB COc1ccc(NC(=S)NCc2cccc(C)c2)c2cccnc12 225428860 FICAPRNOVCHLIN-UHFFFAOYSA-N 337.448 4.038 0 40 EIAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1 225471504 UPNJOGONQRANFJ-UHFFFAOYSA-N 349.228 4.342 0 40 EIAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c(C)n1 225889530 AIBPDGQXBVCZMM-LIRRHRJNSA-N 334.460 4.103 0 40 EIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1C 225908224 OQFIGOXFJBYDOF-LJQANCHMSA-N 336.476 4.493 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)cn1 257202992 AOECSEDJCIWSOZ-SFHVURJKSA-N 345.446 4.033 0 40 EIAB Cc1nn(CCNC(=O)Nc2cccs2)c(C)c1-c1ccsc1 575614736 DIVPECNGRVFACO-UHFFFAOYSA-N 346.481 4.112 0 40 EIAB C[C@@H](c1ccccc1)N1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 585099674 WBBARXKFNPVNHN-PGRDOPGGSA-N 340.511 4.252 0 40 EIAB Cc1cc(C)n(-c2nccnc2SCc2ccc(Cl)cc2)n1 1888964212 ULULSRGITSFPHI-UHFFFAOYSA-N 330.844 4.225 0 40 EIAB CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 324741 XWHDEFPNYDHTLW-CQSZACIVSA-N 345.418 4.018 0 40 EIAB COC(=O)c1ccccc1NCn1c(=S)oc2ccc(Cl)cc21 342901 AJQOSKPFMYASLY-UHFFFAOYSA-N 348.811 4.473 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc3c2CCCC3)cc1OC 496589 RCWLVXBNNZPFIK-ACCUITESSA-N 337.419 4.235 0 40 EIAB CCOc1cccc(-c2nnc3sc(-c4cccc(C)c4)nn23)c1 529573 XBOIMTVHVOLYNI-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 1336610 IBLCFGNIMUAIQB-UHFFFAOYSA-N 348.874 4.277 0 40 EIAB O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCCCC1 1340546 LALQISPBUOEYOF-UHFFFAOYSA-N 349.356 4.470 0 40 EIAB CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C 1530767 XLMALTXPSGQGBX-PGRDOPGGSA-N 339.479 4.276 0 40 EIAB biogenic,in-man Cc1ccc2c(c1)c1nnc(SCCc3ccccc3)nc1n2C 2450847 AHKBEQGKTZSWPQ-UHFFFAOYSA-N 334.448 4.160 0 40 EIAB COc1ccc(NC(=O)COc2cc(C(C)C)ccc2C)cc1OC 2640036 YCBDGQFCBFXPPU-UHFFFAOYSA-N 343.423 4.153 0 40 EIAB COc1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 2827500 NCVJKQLTPTWCRL-UHFFFAOYSA-N 336.416 4.170 0 40 EIAB Cc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)s1 3437227 DIONTFFSBKETKZ-UHFFFAOYSA-N 328.389 4.137 0 40 EIAB Cc1noc(C)c1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 3564233 ZGTYHZWDPBEMBI-UHFFFAOYSA-N 341.407 4.379 0 40 EIAB Cc1ccc([C@]2(CC(=O)NCC(C)C)CCO[C@H](C(C)C)C2)cc1 4087925 QIAVYIRNOGKASV-PZJWPPBQSA-N 331.500 4.230 0 40 EIAB biogenic O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCC1CCCCC1 4485028 NJFZKPFHYQIUMC-UHFFFAOYSA-N 337.876 4.005 0 40 EIAB CCCC(=O)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 5265254 JFCUBBINOQRROT-UHFFFAOYSA-N 347.390 4.303 0 40 EIAB COC(=O)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1 5905618 VMELSXHEVWBWAF-UHFFFAOYSA-N 330.387 4.288 0 40 EIAB biogenic CC(C)COC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 6781773 GYRADWZRGWKOIR-UHFFFAOYSA-N 335.473 4.210 0 40 EIAB O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCC3 6814311 QIJAKDSYQTUOAK-CYBMUJFWSA-N 339.247 4.398 0 40 EIAB Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccs1 7890023 KOWIAUUDGQBQLI-HXUWFJFHSA-N 337.444 4.341 0 40 EIAB O=C(O)Cc1csc(Nc2ccc(Oc3ccccc3)cc2)n1 8024924 WBAYETGQAPPDOC-UHFFFAOYSA-N 326.377 4.306 0 40 EIAB CCc1nnsc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 8061391 ZGZSOPQOMPQBSI-UHFFFAOYSA-N 344.465 4.093 0 40 EIAB S=C(Nc1cccc(Br)c1)NC1CCCCCC1 8104721 KGOGZCNOVJSQCQ-UHFFFAOYSA-N 327.291 4.458 0 40 EIAB c1csc(-c2noc(CSc3ncnc4ccccc34)n2)c1 8133451 CKAQUPUMAWNWRJ-UHFFFAOYSA-N 326.406 4.034 0 40 EIAB O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 8325162 XGGGQBPJIJQQJW-MRXNPFEDSA-N 343.423 4.142 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10260354 UZVWVDUWNCSVEE-CYBMUJFWSA-N 338.386 4.114 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)C1(C)C 11263097 QBTYTGNUKYWESL-LPHOPBHVSA-N 340.419 4.383 0 40 EIAB C[C@@H](Oc1cccc(Br)c1)c1nc(-c2ccncc2)no1 12401970 ASKRYJFMJWAWIC-SNVBAGLBSA-N 346.184 4.034 0 40 EIAB CC(C)c1ccc(-c2nc(C(=O)NCc3ccco3)cs2)cc1 12789341 PNRLPMMJWVADKO-UHFFFAOYSA-N 326.421 4.457 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2c1C 12972072 HOCAMIPLERMEQJ-UHFFFAOYSA-N 342.782 4.419 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13708765 IDDWLCNSBBQCNW-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB Cc1cc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc(C(C)C)n1 16454267 VHAWXFYBCVGCLE-LSDHHAIUSA-N 343.496 4.266 0 40 EIAB O=C(/C=C\c1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 17178083 KGLGSXUGGVLWPT-QBFSEMIESA-N 330.431 4.376 0 40 EIAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccccc1F 20137707 MQUMLBHKVHOJFG-UHFFFAOYSA-N 328.126 4.083 0 40 EIAB CCSc1ccccc1C(=O)NCc1cc(-c2ccccc2)on1 21010065 HQKODIDNLBVBNI-UHFFFAOYSA-N 338.432 4.384 0 40 EIAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3ccc(F)cc3)nc21 21801430 BZSFNCLRCFWGJL-UHFFFAOYSA-N 337.402 4.302 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccccc1C 25078564 LFIDJCHJKPFQOR-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2ccccc2s1 27977011 PQQNSLRXMRGUIG-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB Cc1ccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)cc1C 28013415 ILYODYOCRUHCSP-UHFFFAOYSA-N 342.468 4.462 0 40 EIAB Cc1noc2ncc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cc12 30923724 HTNUTHCOVAOPIJ-SECBINFHSA-N 349.312 4.041 0 40 EIAB CCCC(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 33784493 KBLPNVUGIHNGTK-UHFFFAOYSA-N 338.382 4.402 0 40 EIAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 36620704 FDRGZJZRAYVYOZ-IBGZPJMESA-N 329.465 4.138 0 40 EIAB CC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2Br)C1 40098505 CPEHRWBMJIRYRB-LBPRGKRZSA-N 325.250 4.411 0 40 EIAB COc1cc(NC(=O)N[C@@H](C)c2ccccc2)c(OC)cc1Cl 40103674 JMJZGCGZLGODHE-NSHDSACASA-N 334.803 4.240 0 40 EIAB CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2sccc21 40786466 VWVBFOATGWDWOR-UHFFFAOYSA-N 337.448 4.177 0 40 EIAB biogenic CCOc1cc(C)c(C)cc1S(=O)(=O)N(CC)C1CCCCC1 41095077 NLXVORZSNJAMGA-UHFFFAOYSA-N 339.501 4.045 0 40 EIAB O=C(NCc1cccc(Br)c1)c1cc(Cl)ccc1F 42353595 PMUPMZSYIUKUBV-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB O=c1ccc(-c2ccccc2F)nn1Cc1cccc(C(F)(F)F)c1 44901365 VRLCALNOXJGWCT-UHFFFAOYSA-N 348.299 4.117 0 40 EIAB CCCCN(C(=O)c1csc(-c2ncccn2)n1)c1ccccc1 47197398 HKONNFXYXOEBQW-UHFFFAOYSA-N 338.436 4.047 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2C)cc1 51354303 LKMZNVAJNUYYKE-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB Cn1ccnc1SCc1cc(Cl)ccc1OCc1cccnc1 59256364 GCSUJZOOMUCTPV-UHFFFAOYSA-N 345.855 4.340 0 40 EIAB COC(=O)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 70461562 DLBDSEGLFPTMPZ-UHFFFAOYSA-N 332.153 4.044 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1OC 71326176 QHDDRHYKVYLYJP-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(CO)c1 72120252 QYLHWTOKBAOYHK-LSDHHAIUSA-N 326.440 4.132 0 40 EIAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NC1CCCCCC1 75359582 UGFDCFDBUQBSTN-UHFFFAOYSA-N 347.846 4.162 0 40 EIAB CC1(C)CCc2cc(CC(=O)Nc3ccc4cc[nH]c4c3)ccc2O1 79487068 MZQFLSYNHMKPOD-UHFFFAOYSA-N 334.419 4.453 0 40 EIAB CC1CCC(N(C)C(=O)c2cnc(Cc3ccccc3)s2)CC1 87006774 DHKOAMFBQRQLIK-UHFFFAOYSA-N 328.481 4.385 0 40 EIAB Cn1c(CNc2ccc(NC(=O)c3ccco3)cc2)nc2ccccc21 89749730 LZLQTOONMUUDIQ-UHFFFAOYSA-N 346.390 4.031 0 40 EIAB CCOc1cc(CO)cc(Cl)c1OCc1cccc(Cl)c1 95095032 NTIQRUQPHCQAPV-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1cc(Cl)ccc1Br 95096012 IOPFJYLAUPGQMV-GMSGAONNSA-N 345.542 4.121 0 40 EIAB c1csc(CSc2nnc(SCc3nccs3)s2)n1 95431247 AYQKEIMERFTSQT-UHFFFAOYSA-N 344.537 4.036 0 40 EIAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2)C[C@H](c2ccco2)C1 102744016 AHOFYAJZRCKICY-SJCJKPOMSA-N 348.362 4.292 0 40 EIAB Cc1cc(C(=O)N2CCC(c3ccccc3C)CC2)c2c(C)noc2n1 106662219 DDGVXNAZCHHCEV-UHFFFAOYSA-N 349.434 4.168 0 40 EIAB CCc1nc(C)c([C@@H](C)NCc2ccc(F)c(CN(C)C)c2)s1 120829689 ILXZLPJQJPNHQB-GFCCVEGCSA-N 335.492 4.065 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1C 222680942 VANARXZGDXBSOZ-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB COc1ccc2c(c1)N(Cc1ccc(C(=O)O)o1)C(C)(C)C=C2C 223232390 CZEGOAITBDECEW-UHFFFAOYSA-N 327.380 4.189 0 40 EIAB O=C(O)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 225297530 WTPNVMXWXDDKRG-UHFFFAOYSA-N 335.190 4.019 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc34)CC2)no1 257261788 LIVMBSPUIAEVFA-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB CCCCN1C(=O)S/C(=C\c2ccc(OC)c(Cl)c2)C1=O 409061528 FBVNDACTICZAJG-LCYFTJDESA-N 325.817 4.185 0 40 EIAB CCOc1ccc2nc(C)cc(Nc3cccc(C(=O)OC)c3)c2c1 71878 REKHFOOSLOIDBT-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB Cc1nc2ccccc2c(=O)n1N(C1=CC=CCC1)c1ccccc1 268727 DRHGVLVUXYNOMM-UHFFFAOYSA-N 329.403 4.209 0 40 EIAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 981522 YMZHHSVZGLFEJK-XNTDXEJSSA-N 330.384 4.061 0 40 EIAB Cn1nc(-c2ccccc2)c(COC(=O)Nc2ccccc2)c1Cl 1388794 RTCLJHRJMBOLLL-UHFFFAOYSA-N 341.798 4.489 0 40 EIAB O=C(Nc1nnc(-c2ccccc2F)s1)c1cccc(Cl)c1 2236698 GCQKOPHYAUQACT-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc2ccccc2c1 2620385 FRGRHPLSKOPVHZ-CYBMUJFWSA-N 348.431 4.002 0 40 EIAB CCOc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1 2766850 SEHFEUWSOXPZLE-CABCVRRESA-N 338.432 4.437 0 40 EIAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)n2C)c1 3400282 RKZLKKLPAMYDCC-AWEZNQCLSA-N 337.448 4.154 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(Cl)c1C 4163709 XWVSQYBNBQRITJ-UHFFFAOYSA-N 326.783 4.260 0 40 EIAB Cc1ccccc1CSCC(=O)NC12CC3CC(CC(C3)C1)C2 4496831 MXVZUMWTJGVLCE-UHFFFAOYSA-N 329.509 4.313 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c1 4585594 COMOBSQAKORGDB-BQYQJAHWSA-N 343.433 4.172 0 40 EIAB CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)c(OC)c1 4656332 ZUAMLWOFUPSKHZ-HNNXBMFYSA-N 333.815 4.238 0 40 EIAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccccc1F 5256013 OCGJBUPPEGMHMK-QGZVFWFLSA-N 341.411 4.326 0 40 EIAB Cc1cccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)c1 5573434 QWBXDISNRJOJDW-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB COc1ccc(OCCSc2ncnc3sc(C)c(C)c23)cc1 6051718 HLBCJWKTDKGFEU-UHFFFAOYSA-N 346.477 4.488 0 40 EIAB Cc1ccc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)[nH]c2c1 6536918 NLJMGAZLEVHBJU-UHFFFAOYSA-N 337.448 4.091 0 40 EIAB Cc1ccc(SCCSc2nnc(-c3ccco3)n2C)cc1 6937996 ABGQJURWUOXBMN-UHFFFAOYSA-N 331.466 4.268 0 40 EIAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccc(F)cc1Cl 7099745 MMPHGJYXVWYKAE-ZSOIEALJSA-N 348.786 4.111 0 40 EIAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 7218045 KBMDJVNGAYNEKH-SECBINFHSA-N 348.226 4.172 0 40 EIAB CCc1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cnn1-c1ccccn1 8715258 BDEQGQKKCBOACC-UHFFFAOYSA-N 348.450 4.380 0 40 EIAB CCCCOc1ccc(NC(=O)C(=O)NC[C@@H](CC)CCCC)cc1 9232651 ZOOGBLGEXAJSCM-INIZCTEOSA-N 348.487 4.137 0 40 EIAB O=C(NCCc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 9961973 FOGBEUCTLOVLBJ-UHFFFAOYSA-N 347.462 4.300 0 40 EIAB O=C(NCCc1cccs1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10092533 KNSIVOVJQKNPLK-GJZGRUSLSA-N 339.382 4.229 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 10276681 AVMPOZOMDNNIOF-INIZCTEOSA-N 345.508 4.473 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429772 YZSWEQKVIXSRJJ-CQSZACIVSA-N 344.842 4.346 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)c(C)c1 10446240 NYYANMSWIKQRMW-UHFFFAOYSA-N 343.448 4.211 0 40 EIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(F)c(F)c1 11286073 HWQXVGOZRBKDQO-UHFFFAOYSA-N 329.302 4.285 0 40 EIAB Cc1nc[nH]c1CN(Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1 12143710 IYADCZPKZDLXEF-UHFFFAOYSA-N 340.515 4.030 0 40 EIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1n[nH]c2ccccc12 12620698 RZXKNHJYKKOFAC-CYBMUJFWSA-N 343.839 4.183 0 40 EIAB CCOc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 12792667 HTNWCJWOJNILHQ-UHFFFAOYSA-N 344.461 4.452 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CCl 13399017 SCKRQJZQWRFQPI-OQZLCYPDSA-N 348.914 4.241 0 40 EIAB biogenic CCCn1ncc(CN(Cc2cccnc2)Cc2cccs2)c1C 13569754 FFTWHGRGXIDONB-UHFFFAOYSA-N 340.496 4.260 0 40 EIAB CC(=O)NCc1ccc(-c2nc(-c3ccc(C)cc3)sc2C)o1 14102962 SLHDHWYHURIIHN-UHFFFAOYSA-N 326.421 4.323 0 40 EIAB Cc1ccc(C(=O)CCC(=O)NCCc2c[nH]c3ccccc23)cc1C 14184066 VQDLVAYMSSMADQ-UHFFFAOYSA-N 348.446 4.107 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 14398570 MHBAASVAIXCRMZ-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB COC(=O)c1ccc(CN(C)Cc2ccc3cc(OC)ccc3c2)cc1 15370239 ALBNLQQSLYPROP-UHFFFAOYSA-N 349.430 4.267 0 40 EIAB Cc1ccc(-c2cc3c(=O)n(Cc4ccccc4C)ccn3n2)cc1C 16840067 OXSLIDCIEQCILE-UHFFFAOYSA-N 343.430 4.137 0 40 EIAB CC(C)CC(=O)Nc1nc(-c2cn(C)nc2-c2ccccc2)cs1 19697083 BJRZOZUEPDDSGP-UHFFFAOYSA-N 340.452 4.195 0 40 EIAB CCCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 20033868 XHPMAUFKFMOBOL-UHFFFAOYSA-N 336.804 4.018 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 20110783 LQHQDBJIJCFWJL-HOTGVXAUSA-N 329.415 4.396 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 20457188 BSKDRSPPPKDTFL-KRWDZBQOSA-N 327.424 4.498 0 40 EIAB CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC 20790233 LWIDHMCFFRTMMB-IBGZPJMESA-N 325.452 4.440 0 40 EIAB CCN(C(=O)COc1ccccc1)c1nc2cc(Cl)ccc2s1 24992930 YHHHFVGOEHDPEO-UHFFFAOYSA-N 346.839 4.382 0 40 EIAB Cc1cc(C)nc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1 27246836 LLJJTFPBWKUSMZ-UHFFFAOYSA-N 349.459 4.076 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccs3)cs2)o1 28427154 LZJYWUPMTPSRBY-NSHDSACASA-N 332.450 4.193 0 40 EIAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccc4ccccc4c3)cc12 30397761 KRERMKGPHUCECX-GFCCVEGCSA-N 331.375 4.175 0 40 EIAB CCc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1 32741321 GIPKKXAZPGSURG-NRFANRHFSA-N 349.430 4.483 0 40 EIAB Cc1c(C(=O)c2ccc(N3CCCC3=O)cc2)oc2ccc(F)cc12 32869585 CZJQMEYMJGRCRG-UHFFFAOYSA-N 337.350 4.238 0 40 EIAB O=C(Nc1nc2ccc3ccccc3c2s1)c1cn2ccccc2n1 32901081 PFYDCGNARKTYPL-UHFFFAOYSA-N 344.399 4.350 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)o1 36740243 FBCNIGVIWDBPJH-UHFFFAOYSA-N 327.403 4.016 0 40 EIAB O=c1c2ccccc2nc(-c2ccccc2F)n1Cc1ccccc1 40308111 JTJUHCMDNOYNTN-UHFFFAOYSA-N 330.362 4.251 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1C 44856726 HTPFQXBWOIIYFX-OAQYLSRUSA-N 347.462 4.429 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 44883535 WFRQQNIDSKZPIB-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)o1 47407662 XOMABLMXHAGWJI-UHFFFAOYSA-N 332.403 4.403 0 40 EIAB Cc1cc(C(=O)CCC(=O)N2c3ccccc3C[C@H]2C)c(C)s1 48312284 OSPHDJBXOAJOQD-GFCCVEGCSA-N 327.449 4.306 0 40 EIAB O=C(c1cnn(-c2ccccc2)n1)N(c1ccccc1)C1CCCCC1 48314850 DOALPHAHGQCLSI-UHFFFAOYSA-N 346.434 4.247 0 40 EIAB CCSc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 49031091 SFTAHPMGEAKFMX-UHFFFAOYSA-N 338.432 4.201 0 40 EIAB CCOc1cc([C@@H]2NCc3ccccc3-n3cccc32)ccc1OC 55211534 ITSQQZSECCPMNG-NRFANRHFSA-N 334.419 4.077 0 40 EIAB Cc1nnc(COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)o1 57755247 FOAYLORVSFKGKP-UHFFFAOYSA-N 346.427 4.036 0 40 EIAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 58270372 GMCXAIUNGHTZCD-UHFFFAOYSA-N 329.415 4.274 0 40 EIAB O=C(CCc1cccs1)N(Cc1ccc(O)cc1)Cc1ccco1 69350239 VFMVCGICQWMEFK-UHFFFAOYSA-N 341.432 4.208 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2cccnc2)S1 71285298 HVGXUNTUULBJDG-HNNXBMFYSA-N 328.441 4.375 0 40 EIAB O=C(c1ccccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 71910098 TYOZITRNNMICPO-UHFFFAOYSA-N 345.670 4.297 0 40 EIAB c1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1 72357674 QDLYONYREWTKRX-JOCHJYFZSA-N 329.447 4.405 0 40 EIAB CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC)ccc1n2CC 73634162 ANZSJTZBQMOBOV-UHFFFAOYSA-N 339.391 4.168 0 40 EIAB Cc1ccc(C)c(CNc2ccc(OCCO)cc2C(F)(F)F)c1 78470631 CRWLDUXDSXUMOW-UHFFFAOYSA-N 339.357 4.305 0 40 EIAB CCOC1CCN(C(=O)Nc2ccc(Cl)c(CSC)c2)CC1 95398619 WTPBLLOTWRCUJI-UHFFFAOYSA-N 342.892 4.236 0 40 EIAB Cc1ccc(NCc2ccsc2)cc1NC(=O)CN1CCCCC1 95428833 MGVVCAARNVTXFN-UHFFFAOYSA-N 343.496 4.093 0 40 EIAB C[C@H]1C[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O 95447005 AOEFYOVXEYHLLG-GHTZIAJQSA-N 349.474 4.263 0 40 EIAB CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccc(C)s1 96385913 VCWYPKJYZMACRG-ZDUSSCGKSA-N 331.462 4.389 0 40 EIAB C[C@@H]1CCCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)C1 96407996 ZDAZGTAZTVMYDR-OAHLLOKOSA-N 348.512 4.363 0 40 EIAB C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)c1ccncc1 96446958 LSNFPAUVZMAPMO-HZPDHXFCSA-N 346.434 4.265 0 40 EIAB O=C(c1cccc(Cl)c1)N(CCc1cccs1)C1CCOCC1 206675352 GDHQOYPFPXLEOD-UHFFFAOYSA-N 349.883 4.265 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223226997 LHMOXMYAXNLBIG-SJORKVTESA-N 337.463 4.437 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224094673 WQXIGRQWOGMWBJ-HNNXBMFYSA-N 327.424 4.111 0 40 EIAB COc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 224492811 XZFYNSLROACICY-INIZCTEOSA-N 341.451 4.211 0 40 EIAB Cc1c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)oc2ccccc12 247657337 XDNOQLOGPJLYDA-LLLHUVSDSA-N 342.439 4.059 0 40 EIAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C1CCC1 257320322 VWGLVJXXZDIZNS-FQEVSTJZSA-N 342.414 4.042 0 40 EIAB CCOC(=O)C1=CNc2cc(-c3ccccc3)nn2[C@H]1c1ccccc1 409024836 ICJIJWIJGZNLTP-FQEVSTJZSA-N 345.402 4.012 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)c1cc2ccccc2s1 575619435 SYSFLPJFFXQNNJ-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB COCOc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1 585119547 KMMJTFNRLFGCAA-UHFFFAOYSA-N 340.832 4.048 0 40 EIAB CO[C@H](CSc1nnc(-c2ccoc2C)o1)c1ccc(F)cc1 629097654 ULYKCMCHKQZPLE-CQSZACIVSA-N 334.372 4.257 0 40 EIAB C[C@@H](CN[C@@H](CCC(F)(F)F)c1cccnc1)c1nccs1 1615571830 PLMJJJHVWODZFK-AAEUAGOBSA-N 329.391 4.315 0 40 EIAB CCC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267984 NHMCUUWCWNYGQI-DNVCBOLYSA-N 337.419 4.428 0 40 EIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 319867 CWBKFNLDZSXSKX-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB COc1ccc(-c2c[n+](-c3ccccc3OC)c3n2CCCCC3)cc1 1100636 AJDKTDBPAIVWMC-UHFFFAOYSA-N 349.454 4.175 0 40 EIAB Cc1ccc(SC[C@@H]2CSc3nc4ccccc4c(=O)n32)cc1 1392668 BDKBHDYQAIPWGI-CYBMUJFWSA-N 340.473 4.144 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc(C)sc3c2)c1C 2628323 KOOFUGAZYZCPDE-UHFFFAOYSA-N 327.409 4.005 0 40 EIAB O=C(Nc1nnc(-c2ccco2)o1)c1cccc(Oc2ccccc2)c1 4107306 SGYTZZQYKDRNSX-UHFFFAOYSA-N 347.330 4.374 0 40 EIAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 4310146 MFQYKKPLFPHEMD-BQFCYCMXSA-N 349.478 4.180 0 40 EIAB C[C@]12COc3ccc4ccccc4c3[C@@H]1c1sc(=O)[nH]c1SC2 4337613 MVCHNDAEFUUZBT-RDTXWAMCSA-N 341.457 4.226 0 40 EIAB Cc1ccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 5146257 QJJKZIURENJXHP-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCc1ccc(-c2n[nH]c(SCCOc3ccc(F)cc3)n2)cc1 5178280 QDNULHHLHVSFDI-UHFFFAOYSA-N 343.427 4.344 0 40 EIAB Clc1ccccc1OCCSc1nc(-c2ccccc2)n[nH]1 5209498 RPQLZTQOKRRZSN-UHFFFAOYSA-N 331.828 4.296 0 40 EIAB Cc1noc(C)c1CSc1nnc(-c2cccs2)n1C1CC1 5358688 CHKINSOAOMHVCH-UHFFFAOYSA-N 332.454 4.239 0 40 EIAB Cc1cc(C)nc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 5394249 PXKSKHSIULEGOY-UHFFFAOYSA-N 332.831 4.458 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)c(O)c1 5462769 BSENAMYVQPYGKP-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB COc1ccccc1C1=NN=C(Nc2ccccc2Cl)SC1 5981404 SNAGSNMKOUHRQJ-UHFFFAOYSA-N 331.828 4.268 0 40 EIAB CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc(C)c1C 6401962 VWBRIRBUKLZLQQ-UHFFFAOYSA-N 340.514 4.161 0 40 EIAB COc1cc(CSc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC 6553885 DJAUNDMLRQINEI-UHFFFAOYSA-N 344.436 4.189 0 40 EIAB O=C(OCCCN1CCCC1)[C@H](c1ccccc1)C1CCCCC1 6582078 YKAPNTZTWOACFB-HXUWFJFHSA-N 329.484 4.380 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1Cl 6649523 YPYXCFKOJTZADF-UHFFFAOYSA-N 330.815 4.122 0 40 EIAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)[C@@H]1CCCO1 7343541 JEJHMKOREBBOIG-INIZCTEOSA-N 341.798 4.001 0 40 EIAB O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(F)c1 7612225 WUGBNULWWBGGLB-UHFFFAOYSA-N 330.746 4.045 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)cc1 8116273 IPFIJWYWRJCKIB-UHFFFAOYSA-N 325.795 4.302 0 40 EIAB CC1CCN([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)CC1 8318232 HCIVKSLZTFPCSE-LBPRGKRZSA-N 328.428 4.060 0 40 EIAB O=C(CSc1ccc2c(c1)OCCCO2)c1c[nH]c2ccccc12 9503341 FNIPZOJLKBUIJQ-UHFFFAOYSA-N 339.416 4.304 0 40 EIAB Cc1ccccc1Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 9926719 OZOYIPCLGSMNSG-UHFFFAOYSA-N 348.446 4.025 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188083 XCSFLGXLQNXFCU-IBGZPJMESA-N 348.421 4.323 0 40 EIAB CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccc4[nH]ncc4c3)cc2c1 13086650 ILNHUHMYROKLAV-UHFFFAOYSA-N 346.434 4.314 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H]2Cc3ccccc3S2)c(C)c1 21403275 XAPLPVWPFCTSBH-IBGZPJMESA-N 325.477 4.069 0 40 EIAB O=C(NC(=S)NC1CCCC1)c1cccc2c(Cl)cccc12 21596295 SKCVXJLPDBFJMY-UHFFFAOYSA-N 332.856 4.040 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)c(Cl)c1 22530603 IIUXYHVZFHDYHC-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OC)cc1 24595464 MHEISHHSAIIQIF-GOSISDBHSA-N 347.455 4.335 0 40 EIAB COc1ccc2nc(NC(=O)[C@H](C)Sc3ccccc3)sc2c1 24761128 FBAQITGABRXQMN-NSHDSACASA-N 344.461 4.424 0 40 EIAB CSc1ccccc1NC(=O)Cn1cnc2cc(C)c(C)cc21 25218886 IURHQNHEMZKEQK-UHFFFAOYSA-N 325.437 4.014 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 27970474 VHLBBYOMICRLLZ-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CCc1cccc(N(CC(=O)c2ccccc2)C2=NCCCS2)c1 28527477 BODMWQAPQKVURK-UHFFFAOYSA-N 338.476 4.431 0 40 EIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)Nc1ccccc1 28579774 ALAYMCXPLYYZGN-UHFFFAOYSA-N 338.386 4.331 0 40 EIAB Cc1noc([C@@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)n1 30453800 WAXGYGZDZIAYFY-LLVKDONJSA-N 344.802 4.179 0 40 EIAB COc1ccc(CC(=O)Nc2cccnc2Oc2ccccc2)cc1 32832625 CYBFVGSJLPFPQH-UHFFFAOYSA-N 334.375 4.064 0 40 EIAB CC[C@H](C(=O)Nc1cccc(NC(=O)NC2CC2)c1)c1ccccc1 32906536 QUYUXQJBGRMJAK-SFHVURJKSA-N 337.423 4.103 0 40 EIAB Cc1ccc(NC(=S)NC[C@H](C)N2CCCC[C@@H]2C)cc1Cl 36847520 VQVMLUZYXASLIP-KBPBESRZSA-N 339.936 4.198 0 40 EIAB COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cccc(C)c2n1 38487137 WFINIIAXAXDPTH-UHFFFAOYSA-N 328.318 4.352 0 40 EIAB O=C(Nc1nnc(Cc2ccc(F)cc2)o1)Nc1ccccc1Cl 38548739 MWKYANRSUBTZCM-UHFFFAOYSA-N 346.749 4.097 0 40 EIAB CCc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 40050154 AZZPOPXKRQITEH-UHFFFAOYSA-N 328.437 4.113 0 40 EIAB COc1cc(Br)c2oc(-c3ccc(N)c(C)c3)nc2c1 45920210 FMKMUFQMTIEQAS-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)cc1 51315391 OPDWENSVHDKAOK-UHFFFAOYSA-N 335.407 4.345 0 40 EIAB FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 58165467 KAYKWKOWEOGULE-UHFFFAOYSA-N 348.412 4.460 0 40 EIAB CC(C)CC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58326133 MWBZDQNLJXAHCW-UHFFFAOYSA-N 347.409 4.107 0 40 EIAB C[C@H]1CCCCN1C(=O)CC1(CC(=O)N2CCCC[C@H]2C)CCCC1 71795032 MYNBXBIUWLOBBH-HDICACEKSA-N 348.531 4.129 0 40 EIAB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 72302487 QKVDNDQCXUJFCD-HZPDHXFCSA-N 346.272 4.320 0 40 EIAB COCCCCC(=O)N(c1cccc2cccnc12)C1CCCC1 78110239 CIVHYZULZBZUSF-UHFFFAOYSA-N 326.440 4.327 0 40 EIAB COc1ccc(OC)c2c(Nc3ccccc3C(=O)O)cc(C)nc12 78401736 NPBWAAJBAWTBQR-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c(Cl)c1 83562321 GKVGNCJNIAXOPV-PPHDSNJXSA-N 349.862 4.483 0 40 EIAB CCOC(=O)c1oc2ccc(Br)c(OCC)c2c1C 85395624 RJWIAKGVQSVDEY-UHFFFAOYSA-N 327.174 4.079 0 40 EIAB C[C@H](NC(=O)c1cnoc1-c1ccccc1)C(C)(C)c1ccccc1 95451518 ZDSRQEJKXNKODZ-HNNXBMFYSA-N 334.419 4.438 0 40 EIAB CCS[C@@H]1CCCC[C@@H]1NCc1nc(CCc2ccccc2)no1 97165594 WUMJHCRAWFMXRZ-DLBZAZTESA-N 345.512 4.009 0 40 EIAB CCc1ccc(C2=C[C@H](c3ccc(SC)cc3)n3nnnc3N2)cc1 101971586 HRUNDZNHLPHCES-GOSISDBHSA-N 349.463 4.013 0 40 EIAB CCCOc1ccc(NC(=O)N2CCC[C@@H](COC)C2)cc1Cl 113548512 COZATOGTPGLCLH-CYBMUJFWSA-N 340.851 4.019 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(OC)cc1 113960156 OYPGXKKVBHOLPP-ZWKOTPCHSA-N 345.414 4.259 0 40 EIAB CCCCC[C@H](O)/C=C/C=C\C/C=C/C=C/[C@@H](O)CCCC(=O)O 150373872 UXGXCGPWGSUMNI-MEBRRQOHSA-N 336.472 4.158 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)Cc1ccc(Cl)cc1 216951698 YEGGNMFHMGVCCK-UHFFFAOYSA-N 327.767 4.184 0 40 EIAB COC(=O)c1cn(C(=O)CCc2ccccc2Cl)c2ccccc12 222630519 ZLIZHARCRWGEHP-UHFFFAOYSA-N 341.794 4.354 0 40 EIAB CC(C)c1ccccc1OCCNC(=S)Nc1ccc(F)cc1 223836382 CCRSFSYEJSNJDY-UHFFFAOYSA-N 332.444 4.315 0 40 EIAB COc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1F 225393726 WIDBPDYPDAJGLX-CQSZACIVSA-N 329.415 4.321 0 40 EIAB CCO[C@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC[C@@H](C)C1 225718705 UYLMRQCPFLJETQ-SJKOYZFVSA-N 325.836 4.273 0 40 EIAB Cc1ccc(CNC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225768874 ANNDLBQELBURBN-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CCOc1cc(CNC(=S)Nc2cc(C)ccc2C)ccc1OC 225769933 DGJYETAPKPMMAK-UHFFFAOYSA-N 344.480 4.197 0 40 EIAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(F)c1 226254813 VHFAJKKAPKKLFR-ZDUSSCGKSA-N 327.403 4.039 0 40 EIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccnc1SCC(F)(F)F 245237065 DPLXMHAMUMQAIC-NTZNESFSSA-N 346.418 4.291 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1C 408554420 RXGMEGXGAVXMON-UHFFFAOYSA-N 347.480 4.319 0 40 EIAB O=C(/C=C/c1cccs1)NC[C@@H](c1ccsc1)c1ccco1 618257291 UFDNWWDVDILUSV-NFAHFFEMSA-N 329.446 4.364 0 40 EIAB CC(C)n1ncc2cc(N[C@H]3CC[C@@H](C)C[C@@H]3n3cncn3)ccc21 1117713808 XTBOIIRLWYIQKY-LJHODMEESA-N 338.459 4.051 0 40 EIAB CCc1ccccc1NC(=O)c1cc(Br)ccc1OC 513694 RSGONBKPJIFANP-UHFFFAOYSA-N 334.213 4.272 0 40 EIAB CC1(C)Cc2ccccc2-c2[nH]c(=S)n(Cc3ccccc3)c(=O)c21 1249336 NJEBVYIPYIHUOL-UHFFFAOYSA-N 348.471 4.455 0 40 EIAB O=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1377520 RFUVNHLSTXCMKN-GJZGRUSLSA-N 333.863 4.009 0 40 EIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1678242 LZSJASSXOILRIY-OALUTQOASA-N 335.403 4.087 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 1790919 UXALZEZMCKZHJN-BUHFOSPRSA-N 345.398 4.343 0 40 EIAB CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 2740691 DOGZPYZRYSSSEZ-UHFFFAOYSA-N 347.436 4.429 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1 2761040 QDKNQTOETPZDFU-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O 3256012 ZJSXRHBYLCYFRX-UHFFFAOYSA-N 340.350 4.119 0 40 EIAB biogenic Cc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 3345078 POTSISFIPXACCS-UHFFFAOYSA-N 336.391 4.431 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc3ccccc3s2)c(O)c1 3404533 HNPVLCSAQMJZFZ-UHFFFAOYSA-N 326.421 4.272 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 3446680 QFXYPSRMEYDRBG-INIZCTEOSA-N 331.799 4.016 0 40 EIAB O=S(=O)(Nc1ccccc1Cl)c1cccc(Cl)c1Cl 3581251 HKMFIKJYBDZXNF-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB C=CNCCc1nc2ccccc2n1CCOc1cccc(C)c1C 5235853 HLVMVCFFDDUKNW-UHFFFAOYSA-N 335.451 4.008 0 40 EIAB COc1ccccc1CNC(=O)c1ccc(Oc2ccccc2)cc1 5459981 TYSHGZSDSNQJOR-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB COc1ccc(Br)c(C(=O)Nc2ccc(F)cc2C)c1 6260217 GQHMFCUVEVOHQY-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 7218022 YLWDFANVTVJIGT-CYBMUJFWSA-N 329.396 4.018 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)c(F)c1 8279395 AUEKLLNGKZMPLZ-SNVBAGLBSA-N 332.375 4.408 0 40 EIAB CCN(C(=O)CSc1nc2c(C)cccc2[nH]1)c1ccccc1 9191667 NWHYVEPSPZHWGO-UHFFFAOYSA-N 325.437 4.017 0 40 EIAB CCN(c1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1)C(C)C 9364001 XAYGKTFACDBWSY-UHFFFAOYSA-N 339.439 4.132 0 40 EIAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C(C)(C)C 9462034 AHSVFHIPVCFPND-UHFFFAOYSA-N 328.456 4.011 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 10140294 YGKGKRFPIQPLON-INIZCTEOSA-N 347.462 4.375 0 40 EIAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)C12CC3CC(CC(C3)C1)C2 10806507 YVXSABBNTDVTDY-UZNLNLPZSA-N 347.842 4.066 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)cc1OC 11637258 HNJWPVONIKTBSN-GOSISDBHSA-N 343.423 4.117 0 40 EIAB O=C(N[C@H]1CCC[C@@H](c2c[nH]c3ccccc23)C1)c1n[nH]cc1Cl 12221924 ZWAAXQCPGXGLFF-NEPJUHHUSA-N 342.830 4.001 0 40 EIAB CCOc1ccc(OCCSc2nc3ccc(OC)cc3[nH]2)cc1 12540332 IZPZDRTVJCVDFM-UHFFFAOYSA-N 344.436 4.141 0 40 EIAB COc1ccc(-c2cc(COC(=O)CC3CCCCC3)no2)cc1 12726316 KJBORROEJAXQLI-UHFFFAOYSA-N 329.396 4.364 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)C2(c3ccccc3)CC2)c1 12754527 BSRVUOSYDUWQHK-UHFFFAOYSA-N 336.435 4.342 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cl)c1 12916488 YUOCCBWKMVFESC-UHFFFAOYSA-N 327.811 4.430 0 40 EIAB Cc1cccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)s3)n2)c1 12925359 PPRSZDXTXSIHBV-UHFFFAOYSA-N 349.868 4.470 0 40 EIAB COc1ccc([C@H](C)NC(=O)Cc2ccc3ccccc3c2)cc1F 12975102 WHVTXKXJEIOAQW-AWEZNQCLSA-N 337.394 4.407 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 12980184 OXUPHHKFDBZBMO-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COc1cccc(CCCNC(=O)c2ccc(Cl)cc2Cl)c1 13669030 XWWGFCASQKOQII-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB CC(C)OCCCNC(=O)CC(c1ccccc1)c1ccccc1 13717025 AFFMSTBMEPITOA-UHFFFAOYSA-N 325.452 4.140 0 40 EIAB Cc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)c(C)c1 16777064 GPNNOJYTALLMFI-UHFFFAOYSA-N 340.814 4.182 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H]1CCCc2ccccc21 20030100 PMBOMYUHLGCHPE-KRWDZBQOSA-N 349.459 4.321 0 40 EIAB C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 20111050 GBTYZOQYEWENKD-OAHLLOKOSA-N 326.415 4.307 0 40 EIAB C[C@@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1 23079231 QGRSQOIMEXUHRM-LLVKDONJSA-N 345.449 4.059 0 40 EIAB Cc1cc2cc(NC(=O)c3ccc(NC(=O)NC4CC4)cc3)ccc2[nH]1 25129219 RQRWZXOEFUCGJY-UHFFFAOYSA-N 348.406 4.013 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(F)ccc3F)cc2)n1 27970431 ONCJUAXZXVYERM-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB O=C(Nc1ccc(Br)c2cccnc12)NC1CCCCC1 28232938 PJKURABFUHFFNU-UHFFFAOYSA-N 348.244 4.452 0 40 EIAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2Cc3ccccc3O2)cc1 29473464 MHLNWPHSVXCXLA-FQEVSTJZSA-N 333.387 4.125 0 40 EIAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F 32851137 HFLSHCPPMBBRGF-ZBEGNZNMSA-N 332.806 4.083 0 40 EIAB Cc1c(C(=O)Oc2ccc(-c3nc4ccccc4s3)cc2)cnn1C 32879942 OXRNBHJFUUVORC-UHFFFAOYSA-N 349.415 4.224 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c(OC)c1 36357348 XHCACBXPDDWTHC-INIZCTEOSA-N 349.390 4.013 0 40 EIAB Brc1cc(-c2ccccc2)ccc1OC1CCNCC1 42774740 GQEQNFLSWOCHTH-UHFFFAOYSA-N 332.241 4.247 0 40 EIAB in-vitro Cc1cccn2c(NC(=O)CC[C@@H]3CCCO3)c(-c3ccccc3)nc12 46163850 PGQBOMZPHBZCGS-KRWDZBQOSA-N 349.434 4.207 0 40 EIAB CC(C)Oc1cccc(CSc2nc3sccc3c(=O)n2C)c1 48353910 LPKLXEDXRODYDO-UHFFFAOYSA-N 346.477 4.075 0 40 EIAB Cn1ncc2c1CCC[C@H]2NCc1ccc(-c2cccs2)cc1F 54174696 GZRRWSNWJRHLDS-QGZVFWFLSA-N 341.455 4.455 0 40 EIAB CCCCc1oc2ccccc2c1CNCc1nnc2ccccn12 58138220 YIJLTRKNOCBLLL-UHFFFAOYSA-N 334.423 4.108 0 40 EIAB COc1cccc(NC(=O)N2CCc3cc(Br)ccc32)c1 58300511 OLFSDDQOLHEUFP-UHFFFAOYSA-N 347.212 4.052 0 40 EIAB CCn1c2ccccc2c2cc(/C=C/C(=O)Nc3ccn(C)n3)ccc21 58356219 GLUPMBBIVJLQAD-PKNBQFBNSA-N 344.418 4.200 0 40 EIAB CC(C)OCCOCc1cccc(Nc2ncnc3sccc23)c1 65946070 RQRMKNMEYYJVJV-UHFFFAOYSA-N 343.452 4.377 0 40 EIAB Cc1cc([C@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)c(C)o1 67083869 HRCANDVNEBHUIN-JTQLQIEISA-N 326.318 4.110 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1 71121568 UDVWSVSASDATOI-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC 71807621 SBLBWAQGLWCKMS-CQSZACIVSA-N 342.439 4.266 0 40 EIAB CCCCN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214444 YXDAZUMCOLEERM-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CCN(C(=O)c1cccc2cnccc12)[C@@H](C)Cc1ccc(OC)cc1 73083575 MSECYZKRCWSOFB-INIZCTEOSA-N 348.446 4.337 0 40 EIAB CNC(=O)c1ccc(CN(C)Cc2ccccc2-c2ccccc2)cc1 78582256 WYRACKKKJOTZPH-UHFFFAOYSA-N 344.458 4.345 0 40 EIAB CC(C)c1cnc(CSCc2csc(-c3ncccn3)n2)o1 85228474 FZRBGLDUUWGSFJ-UHFFFAOYSA-N 332.454 4.145 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)cc1 95249762 QXINESDBWLTSFM-YSSFQJQWSA-N 347.414 4.489 0 40 EIAB COCc1cc(CN[C@H](C)c2cnc3ccsc3c2)ccc1F 95422712 RWTYSHSATHZHCD-GFCCVEGCSA-N 330.428 4.433 0 40 EIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1nnsc1Cl 95975341 TVZGQVKXZXLFBE-SECBINFHSA-N 330.910 4.273 0 40 EIAB C[C@@H](Sc1ccccc1S(C)(=O)=O)c1nc2ccccc2o1 95993792 HZRSZLKFMLIUNA-LLVKDONJSA-N 333.434 4.085 0 40 EIAB COC(=O)N[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119630703 CEZKLEHYJURHTB-VTBMCCKRSA-N 349.515 4.115 0 40 EIAB CC(C)c1ccc(NC(=O)N2CCO[C@H](c3nccs3)C2)cc1F 184440772 FUPUJQDSDSUPCM-HNNXBMFYSA-N 349.431 4.011 0 40 EIAB O=C(/C=C/c1cccs1)N(CCc1cccs1)C1CCOCC1 207962610 MIZYNDYWCXQCAQ-AATRIKPKSA-N 347.505 4.073 0 40 EIAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 225048822 RZRHLLRDURRRLL-UHFFFAOYSA-N 339.460 4.139 0 40 EIAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1 225483651 QTHASUBQGJUTSH-INIZCTEOSA-N 342.464 4.204 0 40 EIAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1 225523975 CSECBJUAOMAVPT-UHFFFAOYSA-N 336.407 4.239 0 40 EIAB CN(C(=O)c1coc(CC2CC2)n1)c1nc2ccc(Cl)cc2s1 225755461 DXGBBACNTJJAKV-UHFFFAOYSA-N 347.827 4.167 0 40 EIAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC1 226330598 YFUOIHZFKNFORY-UHFFFAOYSA-N 329.831 4.083 0 40 EIAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1cccs1 226763656 DCOROFMCJAVEMM-SNAWJCMRSA-N 337.242 4.053 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@@H]3CCC[C@H](C)C3)no2)C1 390833112 CFKJAJQYJDHQNB-JONQDZQNSA-N 333.476 4.115 0 40 EIAB O=C(N1CC[C@@H](C2CCOCC2)C1)C1(c2cccs2)CCCCC1 534430315 XKOXNDNINNYDCH-QGZVFWFLSA-N 347.524 4.225 0 40 EIAB O=C(Nc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 172584 LCMAJPMXWWDDKE-UHFFFAOYSA-N 334.350 4.330 0 40 EIAB Cc1csc(NC(=O)CSc2nc3c(C)cccc3cc2C)n1 418679 QSFZLZRLCVVUTQ-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB COc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 499531 WKZROCNYVBTGDA-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2cc(C)ccc2C)c1C 568498 LLRVIBDNKSWUFR-UHFFFAOYSA-N 329.400 4.069 0 40 EIAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnc(N)c23)cc1 1016763 HQUMALVNFSYXEG-UHFFFAOYSA-N 342.402 4.258 0 40 EIAB CCOC(=O)C(C(=O)OCC)(c1ccccc1)C1CCCCCC1 1562286 SYOQJSJNDZZPHI-UHFFFAOYSA-N 332.440 4.021 0 40 EIAB Cc1ccccc1CSCC(=O)NCCSC1CCCCC1 2178527 XLTOQUNVJRRUNI-UHFFFAOYSA-N 337.554 4.410 0 40 EIAB COc1ccccc1-c1nnc2sc(-c3cc4ccccc4o3)nn12 2232349 MRMNPBZNWGJQEN-UHFFFAOYSA-N 348.387 4.275 0 40 EIAB CCCSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2459555 CIMQUMZKBCIMCX-UHFFFAOYSA-N 338.885 4.036 0 40 EIAB COc1ccc2c(CC(=O)Nc3ccc(F)c(Cl)c3)coc2c1 2617984 OQXFAQKAUDADFT-UHFFFAOYSA-N 333.746 4.415 0 40 EIAB OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 2876738 ZGMMVVYGDFQTBB-UHFFFAOYSA-N 349.221 4.084 0 40 EIAB CC[C@@H](C(=O)OCC(=O)c1c(C)[nH]c2ccccc12)c1ccccc1 3317995 UCPYDXPMRXXCSZ-MRXNPFEDSA-N 335.403 4.396 0 40 EIAB CC(C)(C)CC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305437 AASZPJPTXNEOAI-KRWDZBQOSA-N 342.508 4.404 0 40 EIAB CCC(=O)Oc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 4340119 XTBSDQGNJLUGOZ-UHFFFAOYSA-N 338.359 4.092 0 40 EIAB biogenic CC[C@H](C)Sc1nnc(NC(=O)c2ccccc2Cl)s1 4815809 LNKRRXSGQFHFAM-QMMMGPOBSA-N 327.862 4.334 0 40 EIAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc[n+]([O-])cc1 5840360 CLSJCYTYVVQWJH-UHFFFAOYSA-N 348.446 4.040 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2C)cc1 6078124 UIKGKLSCUKIXIP-UHFFFAOYSA-N 325.437 4.091 0 40 EIAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccccc1F 6226978 KNVSQQPHNPUTPS-UHFFFAOYSA-N 337.354 4.007 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)oc1C 6280133 BLWWATJWKFFRJT-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)[nH]c2c1 6292182 NDZXEAVXECABOO-MJBXVCDLSA-N 331.485 4.047 0 40 EIAB O=c1[nH]c(/C(Cl)=C/c2ccc(F)cc2)nc2sc3c(c12)CCC3 6315544 VQASDYFMAYKDBI-WQLSENKSSA-N 346.814 4.349 0 40 EIAB CCC[C@H](C)NCCOC(=O)C(c1ccccc1)c1ccccc1 6381207 LMRLNVZVYRGSIX-KRWDZBQOSA-N 325.452 4.140 0 40 EIAB Cc1ccc(-c2cc(-c3ccco3)c3c(n2)oc2c(=O)[nH]cnc23)cc1 6400965 KUSQIGJETSHUOE-UHFFFAOYSA-N 343.342 4.300 0 40 EIAB CCc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876528 UXCUAYZBRYNUJG-UHFFFAOYSA-N 342.420 4.121 0 40 EIAB Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 8270672 QBSFDQSMAWMRDB-KRWDZBQOSA-N 338.407 4.135 0 40 EIAB COc1ccc(CC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 8279265 XHJJGJUQRDZIDM-ZDUSSCGKSA-N 340.448 4.067 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccccc2N2CCCCC2)cc1 8429104 CZRSUEDXGVBXRI-KRWDZBQOSA-N 337.467 4.424 0 40 EIAB O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)[C@H]1N1CCCCC1 9186457 RFJOHFMXEIPMJX-RBUKOAKNSA-N 340.854 4.279 0 40 EIAB O=C(NCc1cccs1)c1ccc2nc(-n3cccc3)sc2c1 9483193 GQBBUWYEMBGAJX-UHFFFAOYSA-N 339.445 4.079 0 40 EIAB CCC[C@H](NC(=O)[C@H](C)N1CCc2sccc2C1)c1ccccc1 10093983 OCANSTJKSOQSKY-YJBOKZPZSA-N 342.508 4.152 0 40 EIAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cnn(C(C)C)c2n1 10958257 WCCRXRJNJQMHPG-UHFFFAOYSA-N 346.793 4.365 0 40 EIAB Cc1cn2c(/C=C/c3cc(C(=O)O)c4ccccc4n3)c(C)nc2s1 12539430 SOAGHVHMFNQFSG-BQYQJAHWSA-N 349.415 4.429 0 40 EIAB CCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12772677 IUGKBKCUDQJTMI-MRXNPFEDSA-N 347.340 4.197 0 40 EIAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 12783484 GFAFFJANDKNARX-STQMWFEESA-N 347.459 4.012 0 40 EIAB CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 12783951 FCKSPBMIEYJTHA-KUHUBIRLSA-N 327.424 4.472 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)CCCNC(=O)c1cccs1 12912158 ITXUKMPEEFNKQF-UHFFFAOYSA-N 344.480 4.194 0 40 EIAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 12914750 LYSQVHZZZNXLEL-VIFPVBQESA-N 338.190 4.213 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(F)c3)s2)cs1 13002158 FAJXWULFQPIDPK-UHFFFAOYSA-N 346.452 4.292 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1ccc(-n2cccc2)cc1 15534777 TZSOGTGFPFASBZ-UHFFFAOYSA-N 343.430 4.252 0 40 EIAB CCOc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 15832395 SWBDYMKKTYUXEM-UHFFFAOYSA-N 338.432 4.139 0 40 EIAB COc1ccc(C(=O)[C@H](C)C(C)=N)c(OCc2ccccc2)c1OC 17020134 GKQGFVVZPBBXNM-CYBMUJFWSA-N 341.407 4.141 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 17976246 VNJWARKBEPNOEI-OALUTQOASA-N 333.387 4.243 0 40 EIAB Fc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1F 19292770 NIUZGKDAUIRFDE-JSGCOSHPSA-N 334.416 4.459 0 40 EIAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1N[C@@H](C)CCc1ccccc1 19907711 PILDCWFKZJVIIB-UWJYYQICSA-N 340.511 4.436 0 40 EIAB O=C(CCC(=O)c1ccccc1)OCc1coc(-c2ccccc2)n1 24290092 DZWUIDYQNJRFNW-UHFFFAOYSA-N 335.359 4.048 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)C1(C)C 25156822 LYHLATABDYOCRS-PMACEKPBSA-N 340.511 4.137 0 40 EIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1cccs1 27663710 DBQQDHQQIGCIDK-MRXNPFEDSA-N 348.899 4.359 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 29773760 RRTUVVWVRGYOTH-AWEZNQCLSA-N 347.455 4.335 0 40 EIAB NC(=O)c1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 30182053 IBCBHJOEQVVQFQ-UHFFFAOYSA-N 340.448 4.073 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ccc2c(c1)OCO2 30315258 VXOLHBFPCBBADW-CYBMUJFWSA-N 345.826 4.221 0 40 EIAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 32779492 MFGUWBYPDHDEBA-GOSISDBHSA-N 340.810 4.348 0 40 EIAB CCOCc1c(C(=O)N2CCc3ccccc3C2)oc2ccccc12 32975403 LGTXQGXZDSSLKH-UHFFFAOYSA-N 335.403 4.168 0 40 EIAB CCCNC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 33705648 HOXUGLUKUHSJMC-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCc2ccccc2C1=O 35316513 FKVXZDFVERTKAL-DLBZAZTESA-N 329.440 4.221 0 40 EIAB C[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)c1ccncc1 40130200 HJAWOWNASCGDTN-HOTGVXAUSA-N 347.418 4.108 0 40 EIAB COc1ccccc1CN(C)C(=O)CCSc1ccc(C)cc1 44946002 AWKBQAOGDNJAMX-UHFFFAOYSA-N 329.465 4.144 0 40 EIAB COc1cccc2c1N(C(=O)c1cc(C)nc3ccccc13)CCC2 47447433 ZBWVLPZEFVMARL-UHFFFAOYSA-N 332.403 4.145 0 40 EIAB N#Cc1cccc(/C=C/C(=O)Nc2ccc(Oc3ccncc3)cc2)c1 50488411 RSLRKZXXHPCGPB-RUDMXATFSA-N 341.370 4.397 0 40 EIAB Cc1cc2nnc(SCC[C@H]3CCCCN3C)n2c2ccccc12 57745382 SIQZKMNHYKEJPH-OAHLLOKOSA-N 340.496 4.157 0 40 EIAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 58325112 MKOIRZZJRJZYCY-ZWKOTPCHSA-N 326.827 4.030 0 40 EIAB C[C@H](NC(=O)c1snc(-c2ccc(F)cc2)c1N)c1ccccc1 67334811 GBLJSVGXBNJKCF-NSHDSACASA-N 341.411 4.022 0 40 EIAB O=C(Nc1ccc2[nH]ccc2c1)N1CCC([C@@H](O)c2ccccc2)CC1 71803339 FINAMAZPCSSLKW-FQEVSTJZSA-N 349.434 4.145 0 40 EIAB CC(C)Oc1ccc([C@H](C)NC(=O)N[C@H](C)c2nccs2)cc1 71879729 VHNVUBVNUPAOAF-QWHCGFSZSA-N 333.457 4.052 0 40 EIAB Cc1nc(N2CCc3ccccc3C2)ccc1[C@@H](O)c1ccccc1 72224936 SXDABTYZAYPVCX-QFIPXVFZSA-N 330.431 4.034 0 40 EIAB CCCCOCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 75094093 ILDCVAOPVJYBCL-UHFFFAOYSA-N 336.863 4.477 0 40 EIAB O=C(COc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1 75157044 QAMLGPWHJNXAQM-UHFFFAOYSA-N 335.856 4.187 0 40 EIAB Cc1ccc(-c2cc(CSc3nc(-c4cccnc4)n[nH]3)on2)cc1 76698374 PAFFOXHCLFGJEI-UHFFFAOYSA-N 349.419 4.122 0 40 EIAB CC(C)(C)c1ccc(NC(=O)NCC[C@@H](O)c2cccs2)cc1 77116063 XLUGFHAGWJCYGJ-OAHLLOKOSA-N 332.469 4.291 0 40 EIAB Clc1ccc2nccc(N3CCC(OC4CCOCC4)CC3)c2c1 77227071 JXFPAXWHSIEHLA-UHFFFAOYSA-N 346.858 4.053 0 40 EIAB CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)NCc1ccncc1 84734647 MGHBMHRCNTYAQI-IBGZPJMESA-N 325.456 4.401 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1Cl 95412390 BPOJAMCMMIKRJG-AWEZNQCLSA-N 331.799 4.119 0 40 EIAB C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccs1 95420529 QLOKXHINIFGVIY-AWEZNQCLSA-N 340.448 4.122 0 40 EIAB Clc1cccc(Cc2noc(-c3csc([C@H]4CCCO4)n3)n2)c1 95439317 INXFNGJWDWFVIM-CYBMUJFWSA-N 347.827 4.289 0 40 EIAB COCCOC(=O)Nc1cccc(NCCc2ccccc2Cl)c1 95454348 NILLENBQNXUWDL-UHFFFAOYSA-N 348.830 4.190 0 40 EIAB CC[C@](C)(NC(=O)Nc1cccc(OC(F)F)c1)c1nccs1 96417960 RUIDIODKHDXKTL-HNNXBMFYSA-N 341.383 4.191 0 40 EIAB Cc1cccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c1 101014625 OFGYUTVRNNCUIU-OAHLLOKOSA-N 330.225 4.060 0 40 EIAB C[C@@]12CCC3=NCCCN3C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 104182860 MCRLPGBGURQZIL-HBVNUNPYSA-N 342.527 4.372 0 40 EIAB COc1ccc(CSCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 113933058 MIAGJANZPOMYJQ-MRXNPFEDSA-N 343.492 4.423 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccccc2OC)cc1 223285277 VFNLTXJZGKTUJJ-DNVCBOLYSA-N 341.451 4.292 0 40 EIAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1cccc(C)c1 224387091 ABXUZCNIXGEKDE-UHFFFAOYSA-N 339.435 4.209 0 40 EIAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 225636189 VVZMTXOXLVTOAU-UHFFFAOYSA-N 349.474 4.044 0 40 EIAB Cc1ccnc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225680357 ZZCABOZUPXYIQQ-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB CCOc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225862356 ZLVQZVFDYIUEQR-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB C[C@@H]1CC[C@H](Nc2cccc(C[S@](=O)C3CCOCC3)c2)[C@H](C)C1 252585093 GAGLPYAGTBOIND-HEKCMURKSA-N 349.540 4.351 0 40 EIAB COc1ccc(Cl)c2sc(N3CC[C@H](c4ccccn4)C3)nc12 2298088995 LRPYSTMDEVHYAA-NSHDSACASA-N 345.855 4.347 0 40 EIAB COc1ccc2c(c1)N(C[C@@H](C)CN(C)C)c1ccccc1S2 57400 VRQVVMDWGGWHTJ-AWEZNQCLSA-N 328.481 4.496 0 40 EIAB biogenic,in-vitro Cc1ccc(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)cc1 482224 WLIJMVFRNBCIGF-UHFFFAOYSA-N 339.778 4.236 0 40 EIAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SC)c23)CO1 506358 DXVJYLLAZAQHNQ-AWEZNQCLSA-N 326.512 4.377 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(=O)[nH]c2ccccc12 521473 MCDNSMVLDCBEFW-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 1909433 JQZUYMLJRIPBJL-UHFFFAOYSA-N 341.407 4.295 0 40 EIAB biogenic Cc1cccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1 2114462 RWSXYQSCVVJTOJ-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB biogenic CCCCN(CCCC)CCCOC(=O)c1c(C)cc(N)cc1C 2187191 WBGQTYLORKRCIF-UHFFFAOYSA-N 334.504 4.335 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3315309 VLZFHQWTVHPXJP-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB Cc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)cc1 4588606 CXPSMFATNJNMMX-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB COc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2C)cc1 4696112 DNZJRRFOZYFMCH-UHFFFAOYSA-N 347.842 4.132 0 40 EIAB COc1cc2[nH]c(=S)nc(NCc3ccc(C)cc3)c2cc1OC 4918886 RQFVJOQGGFLVBL-UHFFFAOYSA-N 341.436 4.230 0 40 EIAB O=c1nc2n(c3ccccc13)CC/C2=C\c1c(F)cccc1Cl 5451319 HWSSBWVVEWRBGS-ZHACJKMWSA-N 326.758 4.133 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc2c(c1)CCCC2 5504492 CUDROTHCBZKUPI-UHFFFAOYSA-N 347.414 4.395 0 40 EIAB O=C(Cc1ccsc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219577 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C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429185 UFGBEFZGAYXFMD-OAHLLOKOSA-N 326.465 4.406 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 10434635 SBOYXRKKROYCFU-RQJZOYDLSA-N 349.559 4.376 0 40 EIAB CN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccccc1 10740859 KPDWKPNUCPRPIY-UHFFFAOYSA-N 347.443 4.268 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccccc1F 12144650 TUAWSCFVRXNYAN-CQSZACIVSA-N 338.382 4.232 0 40 EIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(C)o1)C3 12222213 IYJSILRDOORBJL-UHFFFAOYSA-N 338.363 4.050 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(F)ccc1F 12808458 KNJHZCHDBOAXSI-UHFFFAOYSA-N 334.347 4.171 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1OC 13019622 PTCYPETUONHZCM-WEVVVXLNSA-N 333.334 4.024 0 40 EIAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccncc4)cc3O)nc2c1 13126641 AIMVWQIQRKZCQT-UHFFFAOYSA-N 345.358 4.156 0 40 EIAB CC(C)Oc1cccc(CNC(=O)c2ccc(Br)cc2)c1 13668401 DCUKQSDJXONDLM-UHFFFAOYSA-N 348.240 4.166 0 40 EIAB COc1ccccc1-c1nc(CSc2nc(C(C)C)n[nH]2)cs1 14140579 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4.086 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c2ccccc12 36636348 KYWZXZDOXCUTRC-HNNXBMFYSA-N 347.480 4.192 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 38752237 JAJNTHVKFNYUJE-GOSISDBHSA-N 347.842 4.165 0 40 EIAB Nc1c(Br)cc(-c2ccccc2)cc1Br 39176983 YQZVEDKKWNYZSF-UHFFFAOYSA-N 327.019 4.461 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2ccccc2F)C1 40284993 GVGQUVKOYQMMQW-AWEZNQCLSA-N 343.308 4.413 0 40 EIAB Cc1ccc(-c2n[nH]c(S[C@H](C)c3nc(C(C)C)no3)n2)cc1 40496519 PVHDWXMPXCBXAB-LLVKDONJSA-N 329.429 4.140 0 40 EIAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 41122060 OHUMEXWBLUULAO-GFCCVEGCSA-N 347.846 4.256 0 40 EIAB O=C(c1ccc(-c2ccccc2Br)o1)N1CCCCC1 41127322 UWRZQIDMVZFIOP-UHFFFAOYSA-N 334.213 4.335 0 40 EIAB CCSc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 44844545 FCXZMACLHOVLCY-ZRDIBKRKSA-N 343.448 4.468 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)c(C)c1 44935051 BFOGAHFOIZGTIJ-QGZVFWFLSA-N 333.435 4.039 0 40 EIAB O=S(=O)(Cc1csc(-c2ccccc2)n1)Cc1ccccc1F 45294916 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CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C 95447024 GCOGKJPJCOJOCU-KXBFYZLASA-N 333.447 4.350 0 40 EIAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCCSCC1 95957337 RPJQSFGUOKPZID-NWDGAFQWSA-N 330.280 4.062 0 40 EIAB O=C(NCc1ccccc1-c1ccsc1)c1cc(-c2ccco2)n[nH]1 96122942 FEDJCFSRZHYZHV-UHFFFAOYSA-N 349.415 4.328 0 40 EIAB Cc1noc(C)c1CNC(=O)Nc1cccc(Cl)c1OC(C)C 96411515 OUZFNEVKDUPOTM-UHFFFAOYSA-N 337.807 4.054 0 40 EIAB Cc1cc(C)c(-c2csc(Nc3ncnc4[nH]ncc34)n2)cc1C 97020929 NIBDKFRIUMKWFJ-UHFFFAOYSA-N 336.424 4.145 0 40 EIAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCc3nccn3C2)cc1 97165029 WPIZLYMCXKAJDI-INIZCTEOSA-N 347.418 4.185 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223206551 PTQAZNZELCXOOS-CQSZACIVSA-N 343.854 4.393 0 40 EIAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccccc1 224152247 KQMXIYGWOCGVCH-IAGOWNOFSA-N 337.473 4.320 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2)c2cccnc12 225281896 YRRNUFZFCKVGLG-CYBMUJFWSA-N 337.448 4.291 0 40 EIAB CCC1(NC(=S)Nc2ccc(Cl)c(C(=O)OC)c2)CCCC1 225861515 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COc1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225539722 UNYMQNYLRCPYLK-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCc1ccnc(-c2ccco2)c1 225656306 HDDRQIRJLCUBJS-BQYQJAHWSA-N 338.794 4.325 0 40 EIAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(Cl)s1 225663717 BZAOSVXJJDYWOB-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 225753297 YPQZHMNGIGJLGD-INIZCTEOSA-N 335.513 4.171 0 40 EIAB CCOc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226039826 ILLQCHMAPXAXNS-UHFFFAOYSA-N 343.766 4.097 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 585148255 UTIWAVFXGJGSRS-CYBMUJFWSA-N 347.823 4.125 0 40 EIAB Cc1nc2cc(-c3ccc(Br)cc3)nn2c(C)c1Cl 272696 ZMKQCEPLLAGQCH-UHFFFAOYSA-N 336.620 4.429 0 40 EIAB COc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)C 514242 AAHPYUIOTLIDDC-UHFFFAOYSA-N 346.814 4.195 0 40 EIAB CC(C)c1nc(SCC(=O)N(C(C)C)C(C)C)c2ccccc2n1 1342964 XSJJKPLQDKAZGL-UHFFFAOYSA-N 345.512 4.491 0 40 EIAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccc1Cl 2324833 IHFSPEHRQZVSBP-UHFFFAOYSA-N 344.201 4.233 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cccc(F)c1 3453932 CCKHOZLCLWMZDK-UHFFFAOYSA-N 328.431 4.328 0 40 EIAB COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)c1ccc(C)cc1 3497781 HHJCJUVRPMCVGK-GFCCVEGCSA-N 332.783 4.085 0 40 EIAB O=C(OCc1ccc(Br)cc1)c1ccc2ccccc2n1 3619448 MHKMSSDPCBGJPZ-UHFFFAOYSA-N 342.192 4.354 0 40 EIAB O=C(Nc1cc(NC(=O)c2ccco2)ccc1Cl)c1ccccc1 4661893 KITZAEWYSRTBED-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB Cc1cccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1C 4682326 CGDUCURQXFZJDX-UHFFFAOYSA-N 342.464 4.217 0 40 EIAB Clc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1Cl 4938816 JDHICXOSAXJEPK-UHFFFAOYSA-N 337.191 4.420 0 40 EIAB Brc1ccc2[nH]c(SCCOc3ccccc3)nc2c1 5095280 ZQFILRGSOBPZPK-UHFFFAOYSA-N 349.253 4.497 0 40 EIAB CCc1ccc(C2=NN=C(Nc3cccc(OC)c3)SC2)cc1 5859487 LHITUCPTCHXQOW-UHFFFAOYSA-N 325.437 4.177 0 40 EIAB Cc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c(C)c(C)c1C 6383990 CDXCXWOPSMEXQY-UHFFFAOYSA-N 349.430 4.370 0 40 EIAB COc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 6510667 SXAUEOQSFDSNAT-JLHYYAGUSA-N 338.794 4.003 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1Oc1ccccc1 6890120 UQDLMWLYVSEAFA-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1ccc(C)s1)CC3 7700715 FLFXGUVARFRXOY-DHZHZOJOSA-N 328.462 4.335 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)C1CCC(C(C)(C)C)CC1 8132037 KFOFDPUCYVOSQN-UHFFFAOYSA-N 346.471 4.445 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccccc1 8181658 FJHHDWGKIRSIRG-QWHCGFSZSA-N 348.240 4.094 0 40 EIAB O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)[C@@H]1N1CCCCC1 9186458 RFJOHFMXEIPMJX-MOPGFXCFSA-N 340.854 4.279 0 40 EIAB Cc1ccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)cc1 9320354 TUYNPXWPHOTDIW-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(C(C)(C)C)cc2)C1 10542858 SAFCROCOINQTEZ-CALCHBBNSA-N 330.516 4.082 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(C(C)C)cs1 10636812 KQXMZNPPBAIGTI-UHFFFAOYSA-N 327.409 4.482 0 40 EIAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)c1cc(C)c(C)cc1C 11464203 JMJOVTZZLACMQU-AWEZNQCLSA-N 343.448 4.157 0 40 EIAB COCCn1c(SCCOc2ccc(C)cc2)nc2ccccc21 12062328 SFMSVYSXDBREKU-UHFFFAOYSA-N 342.464 4.162 0 40 EIAB CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1F 12877123 QNLXVLQJOLZABT-UHFFFAOYSA-N 342.292 4.388 0 40 EIAB COc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1Cl 13142321 GTKAIZJKINJBJB-HOTGVXAUSA-N 347.817 4.016 0 40 EIAB Cc1cccc(CCCNC(=O)c2ccc(N3CCCCC3)cc2)c1 13646323 RSFMEZHGVCBXFE-UHFFFAOYSA-N 336.479 4.348 0 40 EIAB Cc1ccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1C 13956937 YBKGJJDOYLPATD-UHFFFAOYSA-N 349.463 4.203 0 40 EIAB COc1ccc(-c2nnc(CN3CCC[C@H]3c3cccs3)o2)cc1 14199159 RLKSFCWWYXCZKJ-HNNXBMFYSA-N 341.436 4.144 0 40 EIAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)C=CO2 15838754 QUWVAMLOXWGCFX-UHFFFAOYSA-N 327.767 4.277 0 40 EIAB Cc1cc(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)c(C)s1 17186322 YNFLMZXWHBYRDC-UHFFFAOYSA-N 331.437 4.158 0 40 EIAB COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)C(C)C)cc1 19310909 SRNJQXPLJFBHOB-IFXJQAMLSA-N 345.414 4.115 0 40 EIAB Cc1ccc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 20102854 ZDNVNVUWSVAXEA-UHFFFAOYSA-N 340.511 4.214 0 40 EIAB CCCCn1nc(C)c(C(=O)Nc2nc(C(C)C)cs2)c1Cl 28778274 WANWOVADDAYRFX-UHFFFAOYSA-N 340.880 4.477 0 40 EIAB NC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl 31954231 ILLLAIHERQPTRF-UHFFFAOYSA-N 349.173 4.091 0 40 EIAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)n1 32119253 MRGBMGDYUADXTP-OQLLNIDSSA-N 344.823 4.280 0 40 EIAB aggregator CCn1cc(Br)cc1C(=O)Nc1cnc2ccccc2c1 37843684 NJHGWFJQMQODJV-UHFFFAOYSA-N 344.212 4.071 0 40 EIAB CCCOc1cccc(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)c1 40156149 BHBSUHGKIVXNNG-UHFFFAOYSA-N 334.366 4.072 0 40 EIAB C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1cccnc1 44951407 BTXXTURTBNVIJF-IAQYHMDHSA-N 347.871 4.332 0 40 EIAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)C2CC2)o1 48234152 PSUKCDDULZDPEK-HNNXBMFYSA-N 339.435 4.035 0 40 EIAB CC[C@H]1c2ccsc2CCN1Cc1csc(-c2ncccn2)n1 51499929 FINMAHRGAXCPFZ-AWEZNQCLSA-N 342.493 4.171 0 40 EIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1)C3 55393823 AOGGHVDARUESES-UHFFFAOYSA-N 335.403 4.098 0 40 EIAB CC(C)[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765024 VSPZBXDCLIZXNC-NSHDSACASA-N 349.818 4.351 0 40 EIAB O=C(NCCSCc1ccccc1Cl)OCc1ccccc1 59472954 NSNIGGFOPVGUAI-UHFFFAOYSA-N 335.856 4.500 0 40 EIAB Cc1nc(NCCc2cnn(C)c2)c2cc(-c3ccccc3)sc2n1 60446721 IKYRSCDFIFYYMN-UHFFFAOYSA-N 349.463 4.055 0 40 EIAB CC(C)c1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 65184369 DFTOYYIVLUWVLJ-UHFFFAOYSA-N 329.827 4.385 0 40 EIAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 66310892 RRNREZBBGITYMO-MSOLQXFVSA-N 346.430 4.338 0 40 EIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1NCc1ccccc1 72222326 SJGHBXJPVKUXCQ-UHFFFAOYSA-N 327.428 4.027 0 40 EIAB Nc1oc(-c2ccccc2)nc1-c1nnc(Nc2ccccc2)s1 72238760 NKLMGOPVGQSJBZ-UHFFFAOYSA-N 335.392 4.186 0 40 EIAB CC(=O)[C@@H]1C[C@H]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 72238809 YYLLMNWSIXHQPJ-UZLBHIALSA-N 334.394 4.446 0 40 EIAB CCOC1CCN(C(=O)N[C@@H](C)c2csc3ccccc23)CC1 78602544 JDOXMJODFCXFSU-ZDUSSCGKSA-N 332.469 4.173 0 40 EIAB COc1ccc([C@H](CNc2cc(C)nc3ccccc23)N(C)C)cc1 89583105 BJULFJUPEACFTO-NRFANRHFSA-N 335.451 4.267 0 40 EIAB Cc1ccc(C)c(SCC(=O)N[C@H](C)CC(=O)c2cccs2)c1 89626330 OUAZZGPAXBJHDS-CQSZACIVSA-N 347.505 4.235 0 40 EIAB c1ccc(Sc2ccc(CN[C@H]3CCCn4ncnc43)cc2)cc1 95436114 LTNZMVNSUGXBBS-SFHVURJKSA-N 336.464 4.054 0 40 EIAB C[C@H]1CCCN1C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96264224 AOMMLHIDJUPJTK-AWEZNQCLSA-N 335.451 4.168 0 40 EIAB O=S(=O)(NCc1cccc2ccccc12)c1ccc2ccccc2c1 107497992 UKIXSXNXNPFMHZ-UHFFFAOYSA-N 347.439 4.472 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 219065537 YTLHXUNIXXWXQY-INIZCTEOSA-N 345.870 4.473 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccccc2CC)c1 223163262 SCVLWOMJFAVCJL-INIZCTEOSA-N 339.479 4.458 0 40 EIAB Cc1ccc(CSCCNC(=O)Cc2cccc(Cl)c2)cc1 223854840 MUJWKDVVUYTBPI-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2F)cc1COCC(C)C 224447991 VRMIDKWOWMKBSK-UHFFFAOYSA-N 331.387 4.259 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C 225311595 VYTFBFLODRIFQI-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cc(C)cc(C)c1 225580229 FNSCLBXFBVFERI-GOSISDBHSA-N 333.545 4.244 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ncccc1C)CC(C)(C)O2 225676278 RWPCQINYTKPQOK-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB C[C@H]1CCCN(C(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)C1 227164065 LPKGROORCVXITR-HNNXBMFYSA-N 345.874 4.242 0 40 EIAB O=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 408852694 VRKQDYOADJSAMB-UHFFFAOYSA-N 325.147 4.114 0 40 EIAB CC(C)(Oc1cc2c(cc1-c1cccc(C(F)F)c1)CCO2)C(=O)O 1615055353 LHGZNRKVYKXJOX-UHFFFAOYSA-N 348.345 4.468 0 40 EIAB CN(C)c1cccc(C(=O)NCc2cc(-c3ccco3)cs2)c1 1775968867 NUQYFHIZKDWKNI-UHFFFAOYSA-N 326.421 4.004 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 71188 ZKOYCMFUFMJECR-UHFFFAOYSA-N 328.437 4.146 0 40 EIAB Cc1cccc(C2=N/C(=C/c3ccccc3C(F)(F)F)C(=O)O2)c1 431163 JXFBZOWLAKRBPP-XNTDXEJSSA-N 331.293 4.358 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccccc2Cl)c(OC)c1OC 571598 ZAEGVNWAYCFBGI-PKNBQFBNSA-N 347.798 4.018 0 40 EIAB COC(=O)c1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1 1401714 POPVQGVTIKNFQH-UHFFFAOYSA-N 348.280 4.228 0 40 EIAB CCCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2240856 BUANWDBJBYPYCD-UHFFFAOYSA-N 343.452 4.270 0 40 EIAB O=C(c1ccc(Br)cc1)c1ccc(CN2CC=CC2)cc1 2514894 VKSMKZQZZQMPJI-UHFFFAOYSA-N 342.236 4.052 0 40 EIAB COc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1 2532731 KDKNHSPUGTZQPB-UHFFFAOYSA-N 340.370 4.201 0 40 EIAB Cc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3o2)cc1 2645510 FQBPGRRJSUBVSK-UHFFFAOYSA-N 346.839 4.198 0 40 EIAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1cccc(Cl)c1 3173714 WMNKKLQQTODSSI-DHDCSXOGSA-N 344.823 4.446 0 40 EIAB CC1(C)[C@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)O2 4185885 UOAFRVOULZECKY-FCHUYYIVSA-N 349.430 4.473 0 40 EIAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc2ccccc12 4472241 FXXBIOIYJOTICX-RGEXLXHISA-N 344.439 4.444 0 40 EIAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NCc4ccccc4)n3)cc21 4993892 HGNPCAYWBJLPTB-LBPRGKRZSA-N 335.432 4.478 0 40 EIAB Cc1cccc(Cn2cccc(C(=O)Nc3c(C)cccc3C)c2=O)c1 5269706 MEWJGBPVAGRRTN-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1cc(OCCCC(=O)NCc2ccccc2F)ccc1Cl 5630741 SELPVGSREKCCJQ-UHFFFAOYSA-N 335.806 4.263 0 40 EIAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cnccn1 5705215 NPZPMMJROGHLII-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB COc1ccccc1NC1=NN=C(c2ccc(Cl)cc2)CS1 5862902 ZMQOERKMRHOGGZ-UHFFFAOYSA-N 331.828 4.268 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 6168280 LOQGKAZXHSLWRT-WBVHZDCISA-N 342.483 4.320 0 40 EIAB O=C(CSCc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 6313796 FMYDBYPHQKHXHU-GOSISDBHSA-N 329.440 4.253 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 6386495 JVRPLJQYYLEAKS-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB CCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)sc1C 7182618 LIICDKQBPGAMLH-UHFFFAOYSA-N 329.450 4.390 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Cl)s1 8159315 ZUOWQIGBRSRFHZ-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)c1ccc(F)c(F)c1 8189466 CLRBXSVBFOHTDS-JTQLQIEISA-N 330.359 4.272 0 40 EIAB Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 10260392 HCIKLHGNQJKLHZ-UHFFFAOYSA-N 334.423 4.283 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1 10542343 UMTVDVZGPWWSGK-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 12544345 LKQMNGJUSABYFJ-LBPRGKRZSA-N 329.350 4.231 0 40 EIAB Cc1nc(C2CC2)nc2sc(C(=O)NCC3CCCCC3)c(C)c12 12728387 PLXTYGYYBKDKBH-UHFFFAOYSA-N 343.496 4.496 0 40 EIAB CCCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 13947266 GQOUGHJQJNDZOK-CQSZACIVSA-N 347.455 4.308 0 40 EIAB CON(C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 14167565 QMYLJYNEUDAZGL-UHFFFAOYSA-N 326.783 4.189 0 40 EIAB COc1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 15356402 HNBCVOMQXNGPBQ-UHFFFAOYSA-N 343.379 4.106 0 40 EIAB COC(=O)c1c(CN2CCCC2)nc2ccccc2c1-c1ccccc1 15376660 AYDOMBLFNVUOCE-UHFFFAOYSA-N 346.430 4.284 0 40 EIAB COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c2cccnc12 15840629 MQXOUKFGJYMZHT-UHFFFAOYSA-N 336.391 4.283 0 40 EIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(C)(C)C 16780142 SFZYGKZHXKHIND-AWEZNQCLSA-N 347.480 4.032 0 40 EIAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1ccccc1 17047517 VSAHDLMNNBPSQK-JSJNYSNDSA-N 346.430 4.092 0 40 EIAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2nccs2)s1 19819583 MIGFVFUDOZLLJE-UHFFFAOYSA-N 335.479 4.208 0 40 EIAB COc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cccc(O)c1O2 20132937 UIXZFJASPYXDDA-UHFFFAOYSA-N 338.388 4.217 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)C1 20451741 JYMUZOFKFKIYOE-MRXNPFEDSA-N 348.556 4.180 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)CCc1ccccc1 20462424 RAMCTFGHNJZZOK-DNVCBOLYSA-N 329.415 4.121 0 40 EIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 21596253 NAOILDIDCGSGJA-UHFFFAOYSA-N 342.464 4.254 0 40 EIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)C1CC1 22511077 CDVSNXLVAGCSPL-UHFFFAOYSA-N 327.236 4.389 0 40 EIAB CCOCc1cc(C(=O)Nc2cccc3ncccc23)ccc1OC 24274985 HRSZHTFWPVBKIK-UHFFFAOYSA-N 336.391 4.032 0 40 EIAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1 24841071 JOEBWHBCDYZCSQ-UHFFFAOYSA-N 348.443 4.042 0 40 EIAB C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 25364280 QUUFWPLNBGGLTE-ZDUSSCGKSA-N 346.356 4.137 0 40 EIAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1 28923937 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Cc1nc(Nc2ccc(Cl)nc2)sc1C(=O)Nc1ccccc1 65563647 OVWAYKQQSUOECS-UHFFFAOYSA-N 344.827 4.496 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 72221866 MLOZOTGUWIULBS-GOSISDBHSA-N 333.428 4.050 0 40 EIAB Cn1nc(C(C)(C)C)cc1C(=O)NC1(c2ccccc2F)CCCC1 72346662 QDUPMQIMXGDFLF-UHFFFAOYSA-N 343.446 4.056 0 40 EIAB Cc1csc([C@@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)n1 74666155 UMIWDMVRXOELCS-HNNXBMFYSA-N 347.509 4.338 0 40 EIAB C[C@@H](Cc1ccsc1)N(C)C(=O)Cc1csc(-c2ccoc2)n1 81402794 PPZQSELKTJUBMM-LBPRGKRZSA-N 346.477 4.097 0 40 EIAB CCc1nnc([C@@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1 96014088 IHYNLKUXOTZSAR-NWDGAFQWSA-N 329.400 4.107 0 40 EIAB CC(C)(C)CN(C(=O)c1csc(-c2ccoc2)n1)c1cccnc1 96412527 NQEURTSRKMSSRP-UHFFFAOYSA-N 341.436 4.491 0 40 EIAB C[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)c1ccncc1 96446955 LSNFPAUVZMAPMO-HOTGVXAUSA-N 346.434 4.265 0 40 EIAB COc1ccc(C(C)=O)c(O[C@@H](C)c2nnc(-c3cccs3)o2)c1 96449274 HMIJCUQJCQWUNB-NSHDSACASA-N 344.392 4.149 0 40 EIAB CC[C@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccs1 96474157 MPPUJKYAEABUDZ-QWHCGFSZSA-N 336.482 4.044 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1C 113960658 IZOSWSDYGNMNGI-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccccc1OC 223081078 XTEKOURFAOMDTI-YJBOKZPZSA-N 327.424 4.038 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 224284612 WYLLIACBMCGUOO-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB CCCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OC 224410528 IZDXCQCOQWTKKN-UHFFFAOYSA-N 331.456 4.242 0 40 EIAB O=C(NCC1=CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 224532102 WSKWKDZDWRDQMP-UHFFFAOYSA-N 346.902 4.169 0 40 EIAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COC(C)C 224713553 DLOWQRVASPGJHC-UHFFFAOYSA-N 341.451 4.249 0 40 EIAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)cc1 225616906 GSMOFLQABDZBRI-FQEVSTJZSA-N 337.463 4.311 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2)cc1C(C)C 225678844 ABUKODQJTGUDDC-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Cc1ccnc(NC(=S)NCCCc2cccc3ccccc23)c1 225809517 MOEKTBSKFUPFMI-UHFFFAOYSA-N 335.476 4.462 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(N)cc1Cl 227145487 RQICTGAJEAGMCJ-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1ccc(NC(=O)C2=C[C@@H]3Oc4ccccc4[C@H]3C=C2O)cc1C 255188151 IRYVECFMTPEKEI-UZLBHIALSA-N 333.387 4.169 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)cn1 257213006 CFUYBXGWKNPWOO-SFHVURJKSA-N 345.446 4.033 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]21 408623789 RZZJKSBUQYFXAX-XEQNPHJVSA-N 348.229 4.251 0 40 EIAB Clc1nccc2oc(CN3CCC(OC4CCCC4)CC3)cc12 585136460 HENYQGMFRSIOIU-UHFFFAOYSA-N 334.847 4.405 0 40 EIAB CC(C)COc1ncc(C(=O)N2CCC[C@@H](C(C)C)C2)cc1Cl 622542945 USHBLZLSXUQXOS-CQSZACIVSA-N 338.879 4.278 0 40 EIAB CC(C)(C)OC(=O)CSc1ncnc2sc3c(c12)CCCC3 90178 XNUHFDOBGTVUGT-UHFFFAOYSA-N 336.482 4.004 0 40 EIAB Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 190296 VTVUGDDDEFFQEK-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(OC(F)F)c1 374296 DSFYKYQFHZZARA-UHFFFAOYSA-N 343.276 4.450 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2cccnc12 2543371 AHLJNJRWGRXEIR-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CSc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1 4060085 KLCTYOKSMNQXPF-QHCPKHFHSA-N 340.473 4.173 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2Cl)c1 4120202 ORSUKJUIJIMHCB-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 4974083 LJBOBFXTXNQJOL-KBAYOESNSA-N 332.440 4.156 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1cccs1 5256502 DECHDCSDJCOPET-KRWDZBQOSA-N 341.411 4.326 0 40 EIAB O=C(Nc1ccsc1C(=O)N1CCCCCC1)c1ccccc1 5899704 VRVVWOADWFMCEW-UHFFFAOYSA-N 328.437 4.017 0 40 EIAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(F)cc1 6035561 AEVOJSFFSANDMZ-JTQLQIEISA-N 344.367 4.458 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(=O)O)c(Cl)c1 6251265 FBXOHYBZZZVIBO-FPYGCLRLSA-N 336.174 4.344 0 40 EIAB Fc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 6584516 PRDNNQLUOHGMFU-HZPDHXFCSA-N 328.778 4.217 0 40 EIAB O=C(Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1)c1ccco1 6710095 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CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc(C)s2)c1 12818198 AABVNOPBXNYHPH-VAWYXSNFSA-N 342.464 4.190 0 40 EIAB CCCC(=O)Nc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 12859852 MUUBGKCEWSVHOR-HNNXBMFYSA-N 340.423 4.140 0 40 EIAB COc1ccccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21 12908052 MIPNTVBGMXPWKI-ZDUSSCGKSA-N 332.400 4.193 0 40 EIAB Cc1nc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc2o1 12987584 KVXXLHOZIQDYHZ-UHFFFAOYSA-N 348.402 4.227 0 40 EIAB CCOc1ccc(CNC(=S)Nc2cccc(F)c2)cc1OCC 13754892 DXDTZYXOSZMLLQ-UHFFFAOYSA-N 348.443 4.110 0 40 EIAB Fc1cc2c(c(CN3CCCCC3)c1)O[C@H](c1ccsc1)OC2 16699037 LOHCBPQXJSTLRX-GOSISDBHSA-N 333.428 4.481 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)c1 17370438 NTCWKDSIJUPCRK-ASJRZHAZSA-N 345.826 4.248 0 40 EIAB COc1ccc([C@@](C)(O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 21169967 PUNVHTFMJIWTCK-FCHUYYIVSA-N 339.479 4.172 0 40 EIAB CC(=O)N(c1nnc(SCc2ccc(Cl)s2)s1)C1CC1 22520715 YSNOSULCLBLPGC-UHFFFAOYSA-N 345.902 4.061 0 40 EIAB NC(=O)c1ccc(Nc2nc(-c3ccsc3)nc3ccccc23)cc1 22797357 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Cc1ccc2c(CN3CCc4sccc4C3)cc(=O)oc2c1C 32879820 ABFBEEFLWDEILI-UHFFFAOYSA-N 325.433 4.030 0 40 EIAB COc1cc(C)ccc1OC(=O)c1csc(-c2ccc(C)o2)n1 32922805 RBXXUJGHBOPTAL-UHFFFAOYSA-N 329.377 4.248 0 40 EIAB CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccc(F)cc12 38486587 JBZPLVSPGRFARX-UHFFFAOYSA-N 340.354 4.303 0 40 EIAB COc1cc(NC(=O)N[C@@H](c2cccs2)C(C)C)cc(OC)c1 40024001 ZQGJDWLFWRWVME-MRXNPFEDSA-N 334.441 4.284 0 40 EIAB COc1ccc([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 44847673 VWRQPKDALLJQHE-AWEZNQCLSA-N 347.842 4.385 0 40 EIAB CCc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1 47375294 SZEAQVAYXGDSTG-UHFFFAOYSA-N 325.412 4.031 0 40 EIAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(C(C)(C)C)no1 48333185 ZSLWANZPKCNBFS-SECBINFHSA-N 347.419 4.145 0 40 EIAB CC[C@@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 58412829 VVGVNWDKCJRHEI-CYBMUJFWSA-N 329.450 4.399 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1csc(Nc2ccccn2)n1 62022539 OKPQXKZARJCPBT-UHFFFAOYSA-N 348.790 4.327 0 40 EIAB CCCc1cc(N2CCC[C@H]2c2ccc(C)c(C)c2)n2ncnc2n1 63859325 WNBWMOGNGYFVKK-SFHVURJKSA-N 335.455 4.035 0 40 EIAB CC[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)c1c(C)noc1C 69491195 LCCGWRPMUJORKK-LBPRGKRZSA-N 338.810 4.236 0 40 EIAB C[C@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccn1 69616999 QYFNXCIYILTTAU-NSHDSACASA-N 338.436 4.451 0 40 EIAB CN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc2ccccc2n1 72290484 WXFOPAAUQPZPSQ-UHFFFAOYSA-N 334.206 4.157 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccn(-c2ccccc2)n1 72292589 QYVPCWMODSVWJC-SFHVURJKSA-N 349.438 4.272 0 40 EIAB CCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CCCCC2)CC1 72393564 JTQICMVNZYFHNV-UHFFFAOYSA-N 342.527 4.188 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(OCc3cccc(F)c3)c(F)c2)o1 79030588 QDEJPWUCKWKSFK-LLVKDONJSA-N 345.349 4.408 0 40 EIAB CC1(C)CC(NC(=O)N2CCC[C@H]2C2CCCCC2)CC(C)(C)N1 84673225 SZJXFIRFPHXCQS-KRWDZBQOSA-N 335.536 4.050 0 40 EIAB CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CSc3ccccc32)c1 89292076 OMQPKZMUDJIPTP-CYBMUJFWSA-N 331.824 4.371 0 40 EIAB COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 92868529 PHVMJQCNJLRFHF-MRXNPFEDSA-N 342.443 4.184 0 40 EIAB CCOc1cc(CO)c(Cl)cc1OCc1ccccc1Cl 95095053 DZEIFHYILZJFQF-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB CC(C)(C)C(=O)C[C@]1(O)Oc2ccccc2N=C1/C=C(\O)C(C)(C)C 100122021 CGQTWEVSBYOEHG-VZEGMYIASA-N 345.439 4.333 0 40 EIAB CCc1cc(O)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 102717997 NIXADOIPVGYLCU-UHFFFAOYSA-N 329.403 4.255 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108868662 JVPLYRPRJVNTFD-YTFOTSKYSA-N 344.480 4.249 0 40 EIAB CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC)c(OC)c1 219949619 MNMLRQKSYNIDEJ-HNNXBMFYSA-N 339.391 4.331 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2ccccc2c1 222796072 POQLFJXNCSSEFB-HXUWFJFHSA-N 337.394 4.453 0 40 EIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)c1 224222804 RISRFELEGQLTMR-MSOLQXFVSA-N 335.432 4.160 0 40 EIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224323057 TZFUCTYXUXRPRJ-OALUTQOASA-N 349.459 4.414 0 40 EIAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592344 LLKULEUXVSKDPL-IYBDPMFKSA-N 332.488 4.028 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCC1)c1cc2ccccc2s1 225594261 OWQZOKFAHAIYQK-HNNXBMFYSA-N 342.489 4.140 0 40 EIAB Cc1cccnc1NC(=S)N[C@@H](C)CC(C)(C)c1ccccc1 225661667 LLOWUBMWLDBWLS-HNNXBMFYSA-N 327.497 4.433 0 40 EIAB C[C@H]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)N1Cc1ccccc1 238856599 WJXVFKYBSHGCGK-CVYDXHPNSA-N 332.488 4.199 0 40 EIAB C[C@]12CCC3(C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12)OCCO3 253596343 QGISYVREUUQQKE-QHLWVNNFSA-N 332.484 4.341 0 40 EIAB CCn1c(Sc2ccc(C=O)o2)nnc1-c1cccc(Cl)c1 408559211 YBJPOYFNJVAFLF-UHFFFAOYSA-N 333.800 4.175 0 40 EIAB COc1cnccc1-c1noc(C(C)(C)Oc2ccc(Cl)cc2)n1 565472539 FANIROYMHNPGHX-UHFFFAOYSA-N 345.786 4.108 0 40 EIAB Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@@H](C)C(C)(C)C 585087498 YIWNSULFNVRYOB-KDOFPFPSSA-N 326.440 4.092 0 40 EIAB COc1ccc(Cl)cc1NC(=O)COc1cccc(Cl)c1 148558 FGXSTBHDBKBKAH-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1ccccc1 1436405 AXSDIOPDPNYYIS-UHFFFAOYSA-N 340.382 4.007 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cccc(F)c1 3906480 FZNWHLKFMQZVJF-UHFFFAOYSA-N 331.350 4.393 0 40 EIAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 4248204 WCFSZVBWSXIDEE-HNNXBMFYSA-N 338.388 4.038 0 40 EIAB CCCCCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 4379148 FPRNUYYJFRSNRJ-HNNXBMFYSA-N 345.418 4.162 0 40 EIAB COc1ccccc1-c1nc(-c2ccc(C)cc2)c(CC(=O)O)s1 4616468 DBLFSOANWZXFBO-UHFFFAOYSA-N 339.416 4.421 0 40 EIAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887766 HGGPSNUYMCSXLD-CEWLAPEOSA-N 336.431 4.342 0 40 EIAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCCC[C@@H]32)C(=O)C1 4915253 LHWIAYCZRJYJRB-MRXNPFEDSA-N 345.870 4.200 0 40 EIAB Cc1ccc([C@@]2(CC(=O)N3CCCCC3)CCO[C@@H](C(C)C)C2)cc1 5024934 ATVIILYCGCSENE-IRLDBZIGSA-N 343.511 4.470 0 40 EIAB CSc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12 5299304 MZMOOIJJMMEPCF-UHFFFAOYSA-N 332.425 4.339 0 40 EIAB CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1 5908867 MVZCTJPTNLVOJC-INIZCTEOSA-N 330.453 4.126 0 40 EIAB COc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)c(OC)c1 7208954 LIRKHQZWJJDUMC-UHFFFAOYSA-N 345.464 4.193 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(Br)c(C)c3)cc2n1 8798723 BUAUYGXUPGEYAP-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(F)cc2)no1 8877058 YORNCJPFQKHEMW-UHFFFAOYSA-N 343.383 4.062 0 40 EIAB COc1cc(Cl)cc2cc(-c3nc4cc(C)ccc4[nH]3)c(=O)oc12 9294962 LLFISSWWBUIIIQ-UHFFFAOYSA-N 340.766 4.307 0 40 EIAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccccc1F 9419179 YHMYHFNPDDHHTI-UHFFFAOYSA-N 337.354 4.007 0 40 EIAB CCOc1cccc2cc(C(=O)Nc3ccccc3CC)c(=O)oc12 10384431 XAKGBCWCKMUQFD-UHFFFAOYSA-N 337.375 4.006 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1Cl 11637264 VQOLUSRNFXTRHI-GOSISDBHSA-N 331.843 4.431 0 40 EIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 11948113 UYPARAAJUANHSU-HZPDHXFCSA-N 339.391 4.308 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1)O[C@H](C)C2 12975608 RUSCSBGRQSRWBP-LLVKDONJSA-N 331.799 4.314 0 40 EIAB Cc1cccc(CNC(=O)Cc2csc(-c3ccsc3)n2)c1 13020745 JRSYSRAGKIWEDF-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB COc1ccc2cc(CNc3ccc4ccccc4c3)c(=O)[nH]c2c1 13086643 OLVUARWITKWYLY-UHFFFAOYSA-N 330.387 4.302 0 40 EIAB Fc1ccccc1-c1nn2c(-c3cc4ccccc4[nH]3)nnc2s1 13689255 GAGNNFDGGYBNEQ-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB CCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1OCC 14724919 ZGJISJBLJMGUSB-JLHYYAGUSA-N 341.407 4.145 0 40 EIAB c1ccc2c(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c[nH]c2c1 15083496 VBGDJXCDANGXMS-UHFFFAOYSA-N 345.431 4.366 0 40 EIAB C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1ccc(-n2ccnc2)cc1 17796288 DURBBTVUYBLPOW-SJORKVTESA-N 333.435 4.243 0 40 EIAB COc1ccc(-n2c(SC)nnc2-c2c[nH]c3ccccc23)cc1 18062108 JRZKLHUIUYTDEY-UHFFFAOYSA-N 336.420 4.146 0 40 EIAB aggregator Cn1nc([C@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21 19289498 JLZUWBNJRWTKLQ-HNNXBMFYSA-N 340.858 4.001 0 40 EIAB c1cncc([C@@H]2CCCCN2CN2CCCC[C@@H]2c2cccnc2)c1 19318743 KFIPVCUMEJOXQF-OYRHEFFESA-N 336.483 4.188 0 40 EIAB biogenic CCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635866 SJKWSIHAZVYOGY-UHFFFAOYSA-N 348.431 4.276 0 40 EIAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc(C)sc1C 22931852 CNQCVZKWTORICY-HXUWFJFHSA-N 343.540 4.246 0 40 EIAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 30872762 IWOMRQLKLWKVRO-UHFFFAOYSA-N 343.379 4.419 0 40 EIAB COc1ccccc1OS(=O)(=O)c1ccccc1-c1ccccc1 32755055 AHXZQJJORQJDIP-UHFFFAOYSA-N 340.400 4.130 0 40 EIAB Fc1cccc(Cl)c1CNc1cccc(-c2nnnn2C2CC2)c1 32770361 NFGXHBSBCVIPNB-UHFFFAOYSA-N 343.793 4.080 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCCc2ccccc21 32817767 NBCORUQNTUELOY-OAQYLSRUSA-N 330.431 4.214 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2cc(F)ccc2F)C1 36352620 CXNUOSYINZSJKF-CQSZACIVSA-N 343.308 4.413 0 40 EIAB CC(=O)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 41637456 HQDLCVNINFEFQL-UHFFFAOYSA-N 333.185 4.296 0 40 EIAB Cc1ccc2c(CN3CC=C(c4ccc(O)cc4)CC3)cc(=O)oc2c1 53814990 FVNLQKRLQCIBLJ-UHFFFAOYSA-N 347.414 4.096 0 40 EIAB Cc1occc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 55646987 XVGDBBAKMYFEKR-CQSZACIVSA-N 336.391 4.053 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 58153145 DCMDHHAIYYZFAG-SJLPKXTDSA-N 332.488 4.232 0 40 EIAB COc1ccc2oc(C)c(C(=O)Nc3ccc4nc(C)oc4c3)c2c1 71801102 YQWSLSTUZQGYSK-UHFFFAOYSA-N 336.347 4.452 0 40 EIAB CC(C)c1nc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 71819606 LAHUIJYGVVCZPU-LBPRGKRZSA-N 329.469 4.002 0 40 EIAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cccc(NC(C)C)c1 71897938 JLXZCFOTBPPWCK-UHFFFAOYSA-N 349.438 4.107 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N[C@H](C)c3ccncc3)cc2)n1 72076354 QMXDUGCBRHRVLD-CYBMUJFWSA-N 338.436 4.396 0 40 EIAB O=c1[nH]c(COc2ccccc2)nc2sc(-c3ccccc3)cc12 77491256 PLONPOVHPHXPLK-UHFFFAOYSA-N 334.400 4.231 0 40 EIAB O=C(CN(CC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 79275187 MNSGQGDKPYZIGH-UHFFFAOYSA-N 343.426 4.254 0 40 EIAB CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)OCc1cccc(OC)c1 84721660 XHKRSZJGNUYAIM-FRQCXROJSA-N 333.472 4.028 0 40 EIAB CCCc1cc(N[C@@H](C)c2oc3ccccc3c2C)n2ncnc2n1 84758979 LSWSGLZLSCDZLS-ZDUSSCGKSA-N 335.411 4.305 0 40 EIAB CN(Cc1ccncc1)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 88787369 INEGUZBLQNVZIN-HXUWFJFHSA-N 349.409 4.152 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2o1 95993806 HWYYHOCLZNHQGK-GFCCVEGCSA-N 336.395 4.285 0 40 EIAB CO[C@@](C)(CNC(=O)Nc1ccccc1Cl)c1ccccc1F 96123662 FIMANMSAAHLNJZ-KRWDZBQOSA-N 336.794 4.162 0 40 EIAB Fc1ccccc1-c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193791 DKLTVRZEYAYHJM-UHFFFAOYSA-N 336.351 4.405 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@](C)(CC)c1nccs1 96418002 NIBDMJKVYKHWSS-QGZVFWFLSA-N 333.457 4.127 0 40 EIAB O=C(O)Cc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 97139604 CIFFXVSLEGBYFO-UHFFFAOYSA-N 343.766 4.201 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(C)cc1)C2 100424121 TWNAMEXKIKSNAF-QZTJIDSGSA-N 331.529 4.077 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSc1ccccc1 216280324 MXZUGQFSDSFKJI-LJQANCHMSA-N 343.492 4.369 0 40 EIAB CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219277264 ZUMFQKUFGFUQDM-SFHVURJKSA-N 341.451 4.131 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1C 225753514 ILFJDZOEJCUAHS-CQSZACIVSA-N 342.464 4.138 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3ccccc3o2)cc1 226284633 MZXBJOHTHDHKRN-UHFFFAOYSA-N 334.297 4.410 0 40 EIAB CC(C)Oc1nn(C)c2ccc(NC(=O)CCC3CCCC3)cc12 227164710 HGIJTLCIFQBMIV-UHFFFAOYSA-N 329.444 4.269 0 40 EIAB CC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257282747 OVCSTHJMXVGERX-HNNXBMFYSA-N 344.430 4.157 0 40 EIAB CCc1noc(C)c1NC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 570207473 LAXHLDMSILPFGK-LJQANCHMSA-N 345.418 4.314 0 40 EIAB C[C@@H](c1ccc(Cn2c3ccccc3c(=O)n2C)cc1)C(F)(F)F 585133510 KAWFNSNPISWNSW-LBPRGKRZSA-N 334.341 4.054 0 40 EIAB O=C(c1ccc(F)cc1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646676231 CWEZCBYCAUPSGN-UHFFFAOYSA-N 337.316 4.159 0 40 EIAB Cc1cc(CCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)no1 1535918582 AUSNKPVJMKYATF-OALUTQOASA-N 340.467 4.394 0 40 EIAB Cc1cccc(N2C(=O)CC(=O)N(c3cccc4ccccc34)C2=O)c1 1086666 IDZIAJPIYWZMRV-UHFFFAOYSA-N 344.370 4.038 0 40 EIAB O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccncc1 1788377 OXCNWEKLHLONGF-UHFFFAOYSA-N 343.338 4.074 0 40 EIAB Cc1cc(O)ccc1C1(c2ccc(O)cc2C)OC(=O)c2ccccc21 4127837 DAJCDIIIZOFNEG-UHFFFAOYSA-N 346.382 4.177 0 40 EIAB CC1CCN(C(=O)c2cccnc2-c2nc3ccccc3s2)CC1 5451311 SYOXQSMABPKBML-UHFFFAOYSA-N 337.448 4.230 0 40 EIAB Cc1ccccc1OCCC(=O)OCc1nc2ccccc2s1 6078756 NQGSRXHSBHNBJN-UHFFFAOYSA-N 327.405 4.117 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 8391321 JQKBUUCOMKZXNU-UHFFFAOYSA-N 349.839 4.248 0 40 EIAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC1CCCC1 8706518 QLWHCKHSSGQQDG-UHFFFAOYSA-N 341.480 4.036 0 40 EIAB CCC(=O)Nc1cccc(OC(=O)c2ccccc2Br)c1 8722994 SXIRJPOQCPNWIQ-UHFFFAOYSA-N 348.196 4.017 0 40 EIAB Cc1csc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 9049859 DKTSZTCZYXVYBW-UHFFFAOYSA-N 344.461 4.267 0 40 EIAB CC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 9465784 MEGUYBUIQRLBQU-UHFFFAOYSA-N 336.416 4.194 0 40 EIAB CCc1sc(-c2nnc(CN3CCc4ccccc43)o2)cc1C 9617137 KUGKGFMUZHYIRA-UHFFFAOYSA-N 325.437 4.232 0 40 EIAB Cc1cccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1C 9907338 UVUQYRYICLIFIR-UHFFFAOYSA-N 337.463 4.164 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1 12945353 LWMPCDCZZGVGLV-UHFFFAOYSA-N 341.436 4.108 0 40 EIAB Cc1cccc([C@@H](Nc2ccc(C)c(Cl)c2)P(=O)(O)O)c1 12950419 FRUOVBNOHOPBKA-HNNXBMFYSA-N 325.732 4.245 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccc(C)cc2)cc1 12972612 FSJOFAAUJLVNRS-HNNXBMFYSA-N 327.449 4.458 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)n1 13002449 BSOTWQNYMFXYIJ-OAHLLOKOSA-N 331.419 4.081 0 40 EIAB CC(C)c1ccc(-c2nc(C(=O)N3C[C@H](C)O[C@H](C)C3)cs2)cc1 13015394 TWVLHMKQKQAIKK-OKILXGFUSA-N 344.480 4.183 0 40 EIAB COCc1ccc(CN(Cc2cccnc2)Cc2cccs2)o1 13569761 RXTMBJIDPVWYBT-UHFFFAOYSA-N 328.437 4.085 0 40 EIAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 14654431 WVRKAJHJYMUZDE-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB O=C1CN2CC[C@H]1C/C2=C\c1ccnc2c(Cl)cc(Cl)cc12 16951268 NBRSVMAOMQHCGU-CBJCJLNRSA-N 333.218 4.177 0 40 EIAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1N[C@@H](C)CCc1ccccc1 19907709 PILDCWFKZJVIIB-LAUBAEHRSA-N 340.511 4.436 0 40 EIAB Clc1ccc([C@@H](Cc2ccccc2)N[C@@H]2CN3CCC2CC3)cc1 20358201 MQPKSHNJHJHMPA-NHCUHLMSSA-N 340.898 4.308 0 40 EIAB O=C(O)/C=C/c1ccccc1OCc1cccc(Br)c1 20526591 VRMAVMYHDUTYGJ-CMDGGOBGSA-N 333.181 4.126 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 22520727 RSSXWGGBEWNDHY-ZDUSSCGKSA-N 345.464 4.386 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1C 27664447 YEDKZUSNUKYKEE-HNNXBMFYSA-N 336.391 4.364 0 40 EIAB CCOc1ccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 27970836 VYMVFDUNQDHICQ-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB COc1ccc(CSc2noc(-c3ccccc3)n2)cc1OC 32611977 NCRCWWNVXKKKHR-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB COC(=O)c1cc(NC(=S)Nc2ccc(C)cc2)ccc1Cl 44385415 RSEUGXCBJJAOOP-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB CSc1ccc(-c2ccc(=O)n(C/C=C/c3ccccc3)n2)cc1 44917713 YFWDHNDPVBLPKM-VMPITWQZSA-N 334.444 4.346 0 40 EIAB CCCC(=O)Nc1ccc(CNCc2ccc(SC)cc2)cc1 47719728 CUCOEVLNLFFSIZ-UHFFFAOYSA-N 328.481 4.437 0 40 EIAB C[C@H](NC(=O)c1ccc2nccn2c1)c1ccc(-c2ccccc2)cc1 58300416 GLSXZYSRYUNKED-INIZCTEOSA-N 341.414 4.492 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)o1 58391338 YZVBERHWTYXGFI-DYIUODAASA-N 333.391 4.241 0 40 EIAB O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccccc2)ns1 58434256 ATJUSZSAZPOVCU-UHFFFAOYSA-N 348.431 4.189 0 40 EIAB CCCn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67258675 HLFCBJKTRKTVRU-UHFFFAOYSA-N 346.402 4.377 0 40 EIAB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 69618716 AGCMKVLCNNBBLY-GOSISDBHSA-N 349.438 4.272 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)s1)c1nc(-c2ccncc2)cs1 69776113 LIROSDWVPOPXSY-VIFPVBQESA-N 349.868 4.411 0 40 EIAB Clc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1Cl 70461391 POWITLAXAANYRE-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CCN(CCC(F)(F)F)C(=O)c1cccc(Oc2nccs2)c1 71914735 JYQSSZIEYBOBRG-UHFFFAOYSA-N 344.358 4.350 0 40 EIAB C[C@@H](C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1)n1ccnc1 79073563 RDDBNXWRGRKCHJ-YWZLYKJASA-N 345.402 4.096 0 40 EIAB CSc1ncccc1C(=O)N(Cc1ccoc1)Cc1cccs1 90612133 QEAYORMTWMPGOG-UHFFFAOYSA-N 344.461 4.301 0 40 EIAB Cc1cc2occ(CC(=O)N[C@H]3CCO[C@H](CC(C)C)C3)c2cc1C 95991269 IPPPNLNYQMNISB-ZWKOTPCHSA-N 343.467 4.302 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccn(-c2ccc3ccccn23)n1 96038025 LDUPAKVBVGYQGI-UHFFFAOYSA-N 336.782 4.031 0 40 EIAB CCOC(=O)Cc1sc(Cc2cccc3ccccc23)nc1C 96345890 XJCSOOYRDJGMGP-UHFFFAOYSA-N 325.433 4.301 0 40 EIAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(Cl)c2)CC1 100809720 HJXTYXBRUADTPA-IYBDPMFKSA-N 338.879 4.266 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(Cl)cc1 222580488 QZPUVFHZZKMFFH-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB CCCC[C@H](CC)CNC(=O)CN1C(=O)c2cccc3cccc1c23 223828567 HZFTYCWQLZUWJZ-HNNXBMFYSA-N 338.451 4.133 0 40 EIAB Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 224927906 NRZLABPTBOAHMI-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)CC(C)(C)c1ccccc1 225598197 QGTZVJHKUYRYID-OAHLLOKOSA-N 349.471 4.169 0 40 EIAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)cc4)OCC[C@@]3(C2)[C@@H]1O 257247146 IXRXFZQINUCPFB-UTOHAZMKSA-N 341.495 4.162 0 40 EIAB CCn1c2c(s/c1=N\C(=O)c1ccccc1)CCc1ccccc1-2 408562512 QLLVPARRGFRKOE-MRCUWXFGSA-N 334.444 4.076 0 40 EIAB CC(C)c1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408708059 GMZPZMRCQBPVBD-UHFFFAOYSA-N 344.499 4.470 0 40 EIAB CCN(Cc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O 585289548 RKYYMCUIABLXET-BHDDXSALSA-N 339.479 4.178 0 40 EIAB CC(C)(CNC(=O)CCc1cccnc1)c1ccc2ccccc2c1 629450571 GPBFFOXUOCRPLS-UHFFFAOYSA-N 332.447 4.261 0 40 EIAB CCn1c(NC(=O)c2cc3cc(OC)ccc3[nH]2)nc2cc(C)ccc21 1632715838 RNSYHRFJELGHHZ-UHFFFAOYSA-N 348.406 4.107 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 253051 VTPXIDDXIWQDIO-UHFFFAOYSA-N 345.301 4.140 0 40 EIAB CC(C)C(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 372434 SVGDURXFSSYDHC-LLVKDONJSA-N 344.069 4.220 0 40 EIAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCCO3 517568 KKVPNFHWESZJMO-UHFFFAOYSA-N 328.751 4.193 0 40 EIAB biogenic Cc1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)cc1 560756 PWAZQMJFISWKGD-UHFFFAOYSA-N 334.419 4.427 0 40 EIAB CCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccc(C)cc3nc21 2605557 PTAWWBZBOCQQJC-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccc1F 3367226 JXKOWVVHDHWNEF-UHFFFAOYSA-N 327.138 4.172 0 40 EIAB O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 3445043 FTOPOGRYDGQDDB-UHFFFAOYSA-N 346.382 4.305 0 40 EIAB O=C(CSc1nc2ccccc2s1)Nc1c(F)cccc1F 3503949 TVBFCGPJGBMTCT-UHFFFAOYSA-N 336.388 4.305 0 40 EIAB Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2N)c1 3545798 GSSCNHVWEWXPHE-UHFFFAOYSA-N 344.871 4.221 0 40 EIAB O=C1O[C@@H]2[C@H]3c4ccccc4[C@H](c4cc(F)c5ccccc5c43)[C@H]2O1 5062768 LUKZZYYFPSQVQH-IYWMVGAKSA-N 332.330 4.474 0 40 EIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1C 6539839 VINUTHGBKBCQDN-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Br 6790278 JORIZXDWIQFWFR-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CCC[C@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6946054 NBRYRJMRADDNQM-FHHIAAGZSA-N 338.407 4.440 0 40 EIAB CCc1cccc(NC(=O)CNc2ccc(Br)cc2)c1 7277504 MUPKSWBNXJGFFY-UHFFFAOYSA-N 333.229 4.062 0 40 EIAB Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 7889942 OJCWNHHUUIHZHH-FQEVSTJZSA-N 337.444 4.341 0 40 EIAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 7928709 KBJVEJXLQQUQRT-CVEARBPZSA-N 337.419 4.159 0 40 EIAB O=C(c1ccccc1OCc1ccccc1)N1CCc2ccccc21 8101845 YPFRNZYYZIEXNC-UHFFFAOYSA-N 329.399 4.469 0 40 EIAB CCOCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 8253176 YZZNNMCUIZHAPS-UHFFFAOYSA-N 343.467 4.099 0 40 EIAB O=C(COc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 8709914 HPFSTOWTSOEYCN-UHFFFAOYSA-N 343.386 4.019 0 40 EIAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1C 9122310 NPDHBSSBYGNHTN-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)C1(C)C 11263110 QBTYTGNUKYWESL-APWZRJJASA-N 340.419 4.383 0 40 EIAB Cc1ccc(Nc2nc(CSc3nncn3C3CC3)cs2)cc1 11721123 QYGGDZFZNBYMRZ-UHFFFAOYSA-N 343.481 4.414 0 40 EIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1n[nH]c2ccccc12 12620700 RZXKNHJYKKOFAC-ZDUSSCGKSA-N 343.839 4.183 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 13061566 AZQHKXRGMAWIJK-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB COc1ccccc1-c1nc2cnccn2c1NCc1ccc(F)cc1 13564794 WGOBQKNNSABNQN-UHFFFAOYSA-N 348.381 4.156 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCc1c[nH]c2ccccc12 14227060 NQEUTWBNHSYHOM-UHFFFAOYSA-N 344.414 4.302 0 40 EIAB CCn1c2ccccc2c2cc(NC(=O)c3cnc(C)cn3)ccc21 14907944 ZPIIDVOABQICGS-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB Cc1sc2nc(-c3ccccc3)nc(Oc3cccc[n+]3[O-])c2c1C 15170967 ADHVAAHUTUBEQJ-UHFFFAOYSA-N 349.415 4.401 0 40 EIAB CC1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3)c(=O)c21 17056747 ZDMKWWPRYHXHDB-UHFFFAOYSA-N 334.444 4.396 0 40 EIAB Cc1ccc(-c2nnc(CNC(=O)c3ccc4ccccc4c3)o2)s1 19217934 SOTJMKUWGORNGO-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 22537963 AFJUPKPHTWFEST-HNNXBMFYSA-N 327.424 4.120 0 40 EIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1CCC1 26145282 NXARUCYCQBEAJI-UHFFFAOYSA-N 339.222 4.487 0 40 EIAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 26398565 HCKPPZMSOFBTOZ-PGUXBMHVSA-N 345.270 4.263 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@H](c2cccc(F)c2F)C1 31820397 WOWBKIHTMJMYGU-ZDUSSCGKSA-N 325.318 4.274 0 40 EIAB Cc1oc(Cn2ccc3cc(Br)ccc32)cc1C(=O)O 35432060 NGOBOFQNMFJKTP-UHFFFAOYSA-N 334.169 4.052 0 40 EIAB Cc1ccc(N2C(=N)S[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1 36635940 NXAMGLMRYGHIKV-HNNXBMFYSA-N 330.840 4.274 0 40 EIAB CC1CCC(NC(=O)CSCc2nc3ccccc3s2)CC1 36811957 LHGRIJYYIKWRIQ-UHFFFAOYSA-N 334.510 4.224 0 40 EIAB COc1ccccc1[C@@]1(O)C[C@@H](c2ccccc2)Oc2ccccc21 38338102 UAJMXURETQEZQJ-VXKWHMMOSA-N 332.399 4.455 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C 41095352 BBJDCDTVEBBBTM-YOEHRIQHSA-N 339.501 4.031 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 48287883 AJNWVANEWDYGDZ-NHYWBVRUSA-N 326.371 4.296 0 40 EIAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 50327584 CBFLIPVUSCVQDZ-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB Cc1ccc(-c2noc(-c3[nH]nc4c3CCc3ccccc3-4)n2)cc1 57509586 UASHWTAWQWMVDD-UHFFFAOYSA-N 328.375 4.201 0 40 EIAB Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)o1 57980100 KKRGQDGJQBEACO-UHFFFAOYSA-N 344.418 4.126 0 40 EIAB Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2)n1 58227001 OTTAMVZKZFHUHP-UHFFFAOYSA-N 342.402 4.045 0 40 EIAB O=C(c1ccc2c(c1)CCC2)N1CCC(Nc2ccc(F)cc2)CC1 65474494 FVWDSZQJXUGLPJ-UHFFFAOYSA-N 338.426 4.031 0 40 EIAB O=C(c1cc(Cl)ccn1)N(c1cccc2cccnc12)C1CCC1 65553753 JMZKXKLLRHYPJQ-UHFFFAOYSA-N 337.810 4.483 0 40 EIAB CS[C@@H](C)C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 69420833 KVAHUCAQJVPZOW-LRDDRELGSA-N 347.459 4.021 0 40 EIAB OCc1ccc(-c2cccc([C@@H]3CCCN(C4CCCC4)C3)n2)cc1 72348535 JXQWRCSXFVGUIB-LJQANCHMSA-N 336.479 4.363 0 40 EIAB Cc1nc(C)c(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)o1 89557985 WWMZWIIQTXBCLM-ZDUSSCGKSA-N 346.736 4.320 0 40 EIAB COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1Cn1cccn1 95419419 SCIFRFILUMUNJU-HZPDHXFCSA-N 339.439 4.253 0 40 EIAB COc1ccccc1[C@H](C)CN[C@@H](C)c1cccc(NC(C)=O)c1 95421651 KTSCLZSBZYGSNT-CABCVRRESA-N 326.440 4.108 0 40 EIAB Cc1ccc(CN[C@@H](C)c2cccs2)c(OC[C@@H]2CCOC2)c1 95969169 IQBBDRXDGINPRJ-JKSUJKDBSA-N 331.481 4.323 0 40 EIAB c1ccc(-n2ncc3c(N[C@@H]4CCCc5ccccc54)ncnc32)cc1 96346858 FMILEFMXRBJALL-LJQANCHMSA-N 341.418 4.305 0 40 EIAB CC[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F 96415077 QTGBMCXMJQYULT-ZBEGNZNMSA-N 346.377 4.098 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(C)C)c(C)c1 96659308 KSAOGXFXAKJBOJ-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB COc1ccc(NC(=O)NC[C@H](C)c2nc(C)cs2)c(Cl)c1 97113204 MUZNULOGAMQWFQ-VIFPVBQESA-N 339.848 4.039 0 40 EIAB C[C@H](NC(=O)CSc1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102181732 RVCQWVRRPPENEJ-XUXIUFHCSA-N 346.521 4.329 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1 219952340 WZNPZBMZDUEGSU-UHFFFAOYSA-N 329.465 4.057 0 40 EIAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C 238856908 XQHWJVYZQCZBNX-KONPQCLYSA-N 332.488 4.056 0 40 EIAB C[C@](O)(CCc1ccccc1)c1nc(Cc2cccc(Cl)c2)no1 585081643 WZSPDHPVOMUXRX-IBGZPJMESA-N 342.826 4.154 0 40 EIAB CCN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCCc2cccnc21 585083874 HMHNQRXNLZSASB-GOSISDBHSA-N 336.435 4.163 0 40 EIAB CCC(CC)CN1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1201528770 ZWIVMZIHESJIHY-UHFFFAOYSA-N 346.490 4.219 0 40 EIAB CC(C)[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 86839 MOWKPRHIVJNEAX-STQMWFEESA-N 329.223 4.459 0 40 EIAB Cc1cccc(OC(=O)COc2ccc(C)cc2Br)c1 510926 SIYROIFVLOMFNN-UHFFFAOYSA-N 335.197 4.050 0 40 EIAB Cc1cc(C)n([C@H]2CCCC[C@H]2OC(=O)CCc2ccccc2)n1 521956 QQKZHLKZHQGJCS-RBUKOAKNSA-N 326.440 4.160 0 40 EIAB C[C@@H](Oc1ccccc1)c1nn2c(-c3cccc(F)c3)nnc2s1 1018180 HQUFEJYTKMWFKX-LLVKDONJSA-N 340.383 4.132 0 40 EIAB CC(C)(C)c1nc(SCC(=O)NC2CCCC2)c2ccccc2n1 1342457 FCECGAZXBVSKDJ-UHFFFAOYSA-N 343.496 4.078 0 40 EIAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)c1ccc(Cl)cc1 3234679 BXWWALGQMCWWNO-UHFFFAOYSA-N 345.128 4.311 0 40 EIAB S=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1Cl 3336563 RFPSUSUMEUNPRC-HNNXBMFYSA-N 349.887 4.057 0 40 EIAB Cc1cc(C)c(OCCNCc2ccccc2)c(Br)c1 3363319 AAROURQIOGMSMI-UHFFFAOYSA-N 334.257 4.235 0 40 EIAB COc1cc(SC)ccc1C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1 3513489 REIFEAJMKNUFLF-ZDUSSCGKSA-N 344.432 4.154 0 40 EIAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1F 4679279 DKHUJUGQVOEQON-UHFFFAOYSA-N 343.377 4.087 0 40 EIAB O=C1C[C@@](O)(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 4799813 KAEAITWIXLBOTC-YTFSRNRJSA-N 328.411 4.415 0 40 EIAB COc1cc2nc(NC(=O)c3ccc(C)cc3C)sc2cc1OC 5187478 GVTLPZHTDCEMDC-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB O=C(NCCOc1cccc2ccccc12)c1cccc(Cl)c1 5876639 JHDHMNABJQCJEC-UHFFFAOYSA-N 325.795 4.302 0 40 EIAB Sc1nnc(COc2cccc3ccccc23)n1Cc1ccccc1 5999330 LFJWRVSQJQBNJF-UHFFFAOYSA-N 347.443 4.347 0 40 EIAB COc1ccccc1/C=C1\N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 6043683 YOBUHVAQIHCXDS-MFOYZWKCSA-N 337.419 4.208 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)n2cc(C(C)=O)c3ccccc32)cc1 6958071 UWLZPRRLTMYNED-CYBMUJFWSA-N 336.391 4.052 0 40 EIAB CC(=O)Nc1ccc(SCC(=O)c2ccc(Cl)s2)cc1 7028484 ZPLMRJBCEOGBPF-UHFFFAOYSA-N 325.842 4.335 0 40 EIAB COc1ccc(Nc2ccc(-c3nc4ccccc4[nH]3)cn2)c(OC)c1 7735872 AHOGKJZSZIMVDI-UHFFFAOYSA-N 346.390 4.386 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)cc1 7922045 PIRWVSCTYYESAY-LBPRGKRZSA-N 343.427 4.067 0 40 EIAB CC1=C(c2ccc(NC(=O)C(C)(C)C)cc2)N2CCCN=C2S1 8133594 JYLKHVMKLYHTDY-UHFFFAOYSA-N 329.469 4.168 0 40 EIAB CC(C)(C)c1cc(NC(=O)CSc2ccc3c(c2)CCC3)on1 8389443 XGKVIVQAZDBGDI-UHFFFAOYSA-N 330.453 4.192 0 40 EIAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(Cl)cc1 8496585 LXOWSRWILACDPO-UHFFFAOYSA-N 346.843 4.013 0 40 EIAB COc1ccccc1NC(=O)Cc1csc(-c2ccc(C)cc2)n1 9112980 ZGAHEWJJKMDROE-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB O=C([C@H](Nc1ccc(N2CCCC2)cc1)c1ccccc1)N1CCCC1 9549301 IDZNIACNFGLHHM-OAQYLSRUSA-N 349.478 4.062 0 40 EIAB Cc1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)c(C)c1 9669153 OFHRANYWYPDSTE-UHFFFAOYSA-N 340.814 4.182 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1C 12475485 DXOZXMMRVDIYSI-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 12792072 GNPKKJWREUJYIH-OAHLLOKOSA-N 325.408 4.166 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(C)c1 12945003 MIKPWBMQFIRGDM-INIZCTEOSA-N 325.408 4.114 0 40 EIAB C[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2Cl)no1 13494852 INAMBEWGYJGZAZ-JTQLQIEISA-N 345.761 4.020 0 40 EIAB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(C)cc3)nc2c1 14200679 KBEBTOAOJZWHSB-DHZHZOJOSA-N 327.405 4.100 0 40 EIAB O=C(Nc1ccc(F)cc1)c1cccc(OCc2cscn2)c1 16200879 MUUBVGDMWFQHBA-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB O=C(OCCOc1cc(Cl)ccc1Cl)c1cccnc1Cl 16694871 HEEZVBMFPXIGQM-UHFFFAOYSA-N 346.597 4.278 0 40 EIAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCC2)cc1 17112786 FWITUZJSTKONGK-SFHVURJKSA-N 333.516 4.236 0 40 EIAB CCCCN(CC)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17270313 OAKIDXKDFMYRDO-UHFFFAOYSA-N 343.862 4.404 0 40 EIAB CCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 17289087 NJUKWUJPKDIMHY-UHFFFAOYSA-N 346.789 4.031 0 40 EIAB O=C(c1ccccc1F)N1CCCC[C@H]1CCN1CCCCCC1 21170925 UYAYCYGSGNDPHU-KRWDZBQOSA-N 332.463 4.087 0 40 EIAB CCCOc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)c1 21595355 SFDXKWVALTWILF-UHFFFAOYSA-N 347.827 4.386 0 40 EIAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 23718385 NXNJMTVZEKUHTB-GWCFXTLKSA-N 334.872 4.312 0 40 EIAB C[C@H]1CCc2nc(NC(=O)CCCC(=O)c3cccs3)sc2C1 24843021 AWAQAEZAGDJXEX-NSHDSACASA-N 348.493 4.321 0 40 EIAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 25629104 VGIBLOMXKRYQHG-NQXCMVSKSA-N 330.468 4.140 0 40 EIAB CC1=Nn2c(nnc2C(F)(F)Cl)S/C1=C\c1ccc(C)s1 26465078 OZPCNAIPFXKTKU-UITAMQMPSA-N 346.815 4.307 0 40 EIAB O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 30943985 YRZXQJKBSUWRHC-IBGZPJMESA-N 328.500 4.128 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 32025251 DOARSCQLVBVVKH-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB CC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)s1 32903509 GNYOAZOGFPJMJS-HNNXBMFYSA-N 330.453 4.047 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2ccc(F)c(F)c2)C1 36357382 NGRRTVBQIKSMSN-ZDUSSCGKSA-N 343.308 4.413 0 40 EIAB CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 37151479 ATRVTFWJOWSDRT-OAQYLSRUSA-N 347.458 4.284 0 40 EIAB C[C@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 38545678 RBCKIFIDZCUQEN-CLVYIJIMSA-N 331.500 4.033 0 40 EIAB biogenic O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cn2ccnc2)cc1 38849822 NUKWFBBLKVKKIQ-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1 44949097 TUQMUVSTKAOJMH-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(C)nc2)cc1 47623747 RLPLTBALCIUCTG-FQEVSTJZSA-N 338.451 4.085 0 40 EIAB COC(=O)c1ccc(Nc2ccnc3c(OC)ccc(Cl)c23)cc1 64874715 PBKIDAXIFWSVPQ-UHFFFAOYSA-N 342.782 4.427 0 40 EIAB CC(C)c1ccc([C@H](O)Cn2nc(N3CCCC3)sc2=S)cc1 65511776 OHEZMBHULNSAOG-OAHLLOKOSA-N 349.525 4.131 0 40 EIAB CCN(CC)c1cc(NC(=O)c2ccccc2C)c(Cl)cc1N 72229048 DUVJYAWXKBGFNE-UHFFFAOYSA-N 331.847 4.329 0 40 EIAB Cc1noc(C)c1CN(C)Cc1csc(-c2ccccc2F)n1 77361329 KYIGISPVVSTXLR-UHFFFAOYSA-N 331.416 4.186 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 82333772 MPNFGHVLEXEUNH-UHFFFAOYSA-N 327.771 4.032 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 84023038 PMEOLXJHEQITJR-SNVBAGLBSA-N 347.390 4.245 0 40 EIAB FC(F)(F)c1ccccc1-c1noc(-c2ccc(Cl)nc2)n1 89262799 TWPOVILUJQESPV-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB O=C(c1cc2c(nc3sccn32)s1)N1CCC[C@H]1C1CCCC1 89885401 ACGPFSDATBJUMW-LBPRGKRZSA-N 345.493 4.405 0 40 EIAB COc1ccc(-n2ccc(CNc3ccc4ccccc4n3)n2)cc1 95395445 HXJZDBZSPLLKGE-UHFFFAOYSA-N 330.391 4.041 0 40 EIAB O=[S@@](Cc1csc([C@@H]2CCCO2)n1)c1ccc(F)c(Cl)c1 95976103 PQUPACGJBGTNDK-YEJXKQKISA-N 345.848 4.095 0 40 EIAB Cn1c(CSc2ncc(-c3ccc(F)cc3)o2)nnc1C1CCC1 96501458 WWWULRBXFONDQU-UHFFFAOYSA-N 344.415 4.169 0 40 EIAB CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 96699126 NLABCCONHIEJTA-UHFFFAOYSA-N 349.761 4.184 0 40 EIAB Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CCCC2)c1 100424276 QOHOHNUNUKJMDQ-WOJBJXKFSA-N 341.499 4.445 0 40 EIAB Cc1cc(C)c(OCC(=O)n2cc(CO)c3ccccc32)c(Cl)c1 216795184 JIYKMHWBGFSBAB-UHFFFAOYSA-N 343.810 4.123 0 40 EIAB Cc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c(C)cc2N)cc1 216867494 VDLAKSNHMUHMQK-UHFFFAOYSA-N 337.467 4.374 0 40 EIAB CCCCCO[C@@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217810459 CXKVSHBMHUIBLO-OAHLLOKOSA-N 330.302 4.012 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccccc1OC 222577069 BTBLDXZZRPFIND-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB CCCSc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 222677158 GYOMEZYVLKHGKB-UHFFFAOYSA-N 347.509 4.491 0 40 EIAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1Cl 222894361 HLOYREIABXBTJM-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 224284295 AACYJYARBFWWNZ-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 224421848 DLOYHDPBVMVBEO-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C)cc1C 248141637 CGBCRBYNAHLMOW-GVDBMIGSSA-N 329.440 4.166 0 40 EIAB Cc1cncc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)n1 257288559 PURIAHICGQFXRG-UHFFFAOYSA-N 337.448 4.020 0 40 EIAB Cc1ccc(NC(=O)NCC[C@H](CCO)c2cccs2)cc1C 575606820 JSFVVGPLQJHSRA-OAHLLOKOSA-N 332.469 4.043 0 40 EIAB CCC[C@@]1(CO)CCN(C(=O)c2sc3ccc(C)cc3c2C)C1 585085226 XYSZXMZOTVPODI-LJQANCHMSA-N 331.481 4.143 0 40 EIAB O=C(NCC(c1ccco1)c1ccco1)Nc1c(F)cccc1F 675007647 CSUXJWOYXKRECY-UHFFFAOYSA-N 332.306 4.104 0 40 EIAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 427421 YWSXVZXLEJDLJP-CRAIPNDOSA-N 344.798 4.118 0 40 EIAB COc1ccccc1[C@@H]1Nc2ccccc2[C@@H](OC(C)=O)C1(C)C 576532 LLXWSMOOHBWXTE-RBUKOAKNSA-N 325.408 4.492 0 40 EIAB c1ccc(-c2nnc(-c3ccccn3)nc2NC2CCCCC2)cc1 1397973 LKAMDZUYTXTHDM-UHFFFAOYSA-N 331.423 4.345 0 40 EIAB C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12)OCCO3 2135078 USGKSIJYOHEDEV-SQIBXOBRSA-N 330.468 4.261 0 40 EIAB biogenic Fc1ccc(CSc2cc(-c3ccccc3)nc3ncnn23)cc1 2581608 RDRMDCQUHSPFHR-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCN(c2ccccc2Cl)CC1 2663902 CJDWLSPYPPAPQZ-UHFFFAOYSA-N 340.810 4.049 0 40 EIAB CCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1OCC 2729880 WWTWHLPWLZEBDH-UHFFFAOYSA-N 342.420 4.346 0 40 EIAB COc1cnc(N(C)C)nc1Oc1ccc(Cl)c2ccccc12 3051102 HZFLEGZDTRBQGN-UHFFFAOYSA-N 329.787 4.150 0 40 EIAB CC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586265 ZRZXNOXNJBGCBL-UHFFFAOYSA-N 334.327 4.174 0 40 EIAB biogenic CC(C)CC[C@H](C(N)=O)[C@H]1NC2(CCCCC2)Cc2ccccc21 5832595 IEYQENFPCJVEIG-OALUTQOASA-N 328.500 4.114 0 40 EIAB O=C(COc1cccc(Cl)c1)NCc1ccc(Cl)cc1Cl 5868956 FIPPZBHQPNEXJO-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB CCCn1c(NC(=O)c2ccc(OC(C)C)cc2)nc2ccccc21 6153889 XNFGGJRGGQOCNR-UHFFFAOYSA-N 337.423 4.486 0 40 EIAB COc1cc(NC(=O)[C@H](C)Oc2ccccc2C)c(OC)cc1Cl 6208021 OKULCJFPNQDONY-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB CO[C@]1(c2ccccc2)O[C@H]2OCC[C@H]2[C@@H]1c1ccc(Cl)cc1 6403254 UCARDUKNNKSRCJ-INDMIFKZSA-N 330.811 4.316 0 40 EIAB CCn1c(SCCc2ccccc2)nc2sc(C)c(C)c2c1=O 6508523 UTNKKUNTNFZEJU-UHFFFAOYSA-N 344.505 4.430 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccco1 6879214 DMVHHKFWLVGWQW-UHFFFAOYSA-N 342.439 4.285 0 40 EIAB CN(Cc1ccc(F)cc1)C(=S)Nc1ccc(OC(F)F)cc1 7585143 OMPXWINVECCEBI-UHFFFAOYSA-N 340.370 4.256 0 40 EIAB Cc1cc(-c2csc(-c3cccc(F)c3)n2)c(C)n1-c1ncn[nH]1 7786900 AJUWVQUJMCXYCG-UHFFFAOYSA-N 339.399 4.142 0 40 EIAB C[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 8332514 DSEODQXZUVXQIX-INIZCTEOSA-N 345.446 4.283 0 40 EIAB COc1cccc(-c2cc(CNC(=O)c3cc4ccccc4o3)no2)c1 11613515 MNXHJTHRZIKNOM-UHFFFAOYSA-N 348.358 4.026 0 40 EIAB CCc1n[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)n1 11714637 AXRHHCYIDYIVSH-UHFFFAOYSA-N 336.873 4.436 0 40 EIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1ccc3c(c1)OCO3)N2 13123873 XSGCILQLXJLOOK-FQEVSTJZSA-N 333.391 4.176 0 40 EIAB O=C(Nc1ccc2cc[nH]c2c1)c1ccc2nc(C(F)(F)F)[nH]c2c1 13732838 VHOXKQYITNARKM-UHFFFAOYSA-N 344.296 4.315 0 40 EIAB CCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@H]1CCCO1 17148329 RWQXCROPEVOBED-JWTNVVGKSA-N 326.477 4.397 0 40 EIAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC)cc1 18131798 PVQRICZUGPSCGX-OAQYLSRUSA-N 349.430 4.495 0 40 EIAB O=C(CSC12CC3CC(CC(C3)C1)C2)N1CCc2ccccc2C1 18758567 RVGDNDJCOXASCZ-UHFFFAOYSA-N 341.520 4.273 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1Cl)NCC2 20506890 LBGFRIPGHHILSE-LJQANCHMSA-N 331.843 4.373 0 40 EIAB COc1ccc(-c2cc(-c3ccccc3)nc3nc(SC)nn23)cc1 20635823 ZGOMBRZMZICWKD-UHFFFAOYSA-N 348.431 4.189 0 40 EIAB CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 22134966 VOBUZOQUQPJIFR-SFHVURJKSA-N 327.399 4.251 0 40 EIAB Cc1ccc(CN(C)C(=O)CCc2cnn(-c3ccccc3)c2)c(C)c1 23040674 JFIXNLDSWPPBPH-UHFFFAOYSA-N 347.462 4.080 0 40 EIAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3CN(C)C)cc2C1 24812745 CJWKOGGZWLRRRF-CYBMUJFWSA-N 328.481 4.187 0 40 EIAB Cc1ccc(Cc2cnc(NC(=O)c3cccnc3)s2)cc1Cl 24969762 LECZOYMNTVHQFF-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Fc1ccc(-c2nc(CSc3nnc(NC4CC4)s3)co2)cc1 25577970 UCKLBNJIVIPWBE-UHFFFAOYSA-N 348.428 4.199 0 40 EIAB COc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2c1 25955712 OWASMAMPBXXGGS-LBPRGKRZSA-N 338.382 4.182 0 40 EIAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 27463825 ZHBNFMGIXSDJOD-CQSZACIVSA-N 329.444 4.097 0 40 EIAB COc1ccc(OC)c(NC(=O)Nc2nc(C(C)(C)C)cs2)c1 28221338 PAYBFNAQHGGBPX-UHFFFAOYSA-N 335.429 4.102 0 40 EIAB CCCc1noc(CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 30800043 GFCFCXOJGQSOBT-UHFFFAOYSA-N 347.418 4.165 0 40 EIAB O=C(c1cccs1)N(Cc1cccc(Br)c1)C1CC1 32796516 DPLFRIQIVBGRDG-UHFFFAOYSA-N 336.254 4.315 0 40 EIAB Cc1ccc(C(=O)N2CCc3c4n(c5ccccc35)C(=O)CC[C@H]42)cc1 36559117 AUUBUKSCUDJRBW-LJQANCHMSA-N 344.414 4.123 0 40 EIAB biogenic CCOc1ccc(-c2noc(CNc3ccc(C)cc3F)n2)cc1 40071582 ZGSKJZVNKHUYSL-UHFFFAOYSA-N 327.359 4.195 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Oc3cnccn3)cc2)sc1C 40112519 DSCNAMZQUURKHT-UHFFFAOYSA-N 325.393 4.200 0 40 EIAB C[C@@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccc(Cl)c1 44087144 PRAJCBLUZWLEFB-LLVKDONJSA-N 342.786 4.273 0 40 EIAB COc1ccc(CSCC(=O)N[C@H]2CCCc3ccccc32)cc1 44880227 BNTYZKKOTBDBJD-IBGZPJMESA-N 341.476 4.122 0 40 EIAB O=[S@](Cc1cccc(F)c1)Cc1coc(-c2cccc(F)c2)n1 58045740 AHEOISCGPOTQHI-QHCPKHFHSA-N 333.359 4.069 0 40 EIAB COCC(=O)Nc1cc(-c2ccc(C)cc2)cc(-c2ccccc2)n1 58368985 NVGKWXGDSBVEPY-UHFFFAOYSA-N 332.403 4.309 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCC(C)(C)c1ccccc1F 60338157 KNYDIJHDTYYENX-UHFFFAOYSA-N 335.806 4.195 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 65535899 CWDTVQHOFJQRRN-INIZCTEOSA-N 332.444 4.277 0 40 EIAB CN(C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212626 NLDGTIRVEZWDRN-SFHVURJKSA-N 339.439 4.011 0 40 EIAB Cc1nc(CN(C(=O)[C@H]2CCCS2)c2ccc(F)cc2)cs1 74245256 QKWIGEVYDXINBS-OAHLLOKOSA-N 336.457 4.019 0 40 EIAB Clc1ccc([C@H](NCc2c[nH]nc2-c2cccnc2)C2CC2)cc1 97159437 QVARZPCMDMVMGY-GOSISDBHSA-N 338.842 4.366 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(C)cc1 113960776 GNECPGXTRVJTDG-MSOLQXFVSA-N 341.451 4.429 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2F)cc1C 225789729 HWMHKROHQLLQEE-AWEZNQCLSA-N 332.444 4.196 0 40 EIAB Cc1ccc(C)c(NC(=S)NC2(c3ccncc3)CCCC2)c1 225842217 KNODTVFNAYWHMV-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB COc1ccc(NC(=S)NC2(C(C)C)CCCC2)c2cccnc12 225877455 VKLMWTRMBFDPGO-UHFFFAOYSA-N 343.496 4.499 0 40 EIAB CN(C[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 253531675 RSPXLQCWKIXQLM-RDPOXOKHSA-N 337.548 4.233 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)cc3)N21 260786582 YJUBCOGPGQIXLE-OLMNPRSZSA-N 339.464 4.070 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCCSc2ccc(Cl)cc2)c1 408706074 UQTNUZNFJOBQAE-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cncc2ccccc12 536249825 RLXPIIDJMBKGLO-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1Cc2cccnc2C1 585392641 JVPFWWXRNIRVSC-UHFFFAOYSA-N 341.370 4.046 0 40 EIAB Cc1ccc(Oc2ccc(I)cn2)cc1C 685937855 XGDHUGSZTWSYBZ-UHFFFAOYSA-N 325.149 4.095 0 40 EIAB Cc1cc2ncn(C[C@@H](O)COc3cccc4ccccc34)c2cc1C 243051 WISMTFRRXIIKAV-GOSISDBHSA-N 346.430 4.246 0 40 EIAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1F 424015 MWNIXVPHLMJYIU-OAHLLOKOSA-N 325.767 4.397 0 40 EIAB Cc1ccc2c(c1)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)O2 1328430 YGUKOTNNCWZZHS-GFCCVEGCSA-N 335.325 4.328 0 40 EIAB Fc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2471856 DOUNKNPLRLVWTH-LSDHHAIUSA-N 346.768 4.356 0 40 EIAB CC(C)CN(CC(C)C)C(=O)NC(C)(C(F)(F)F)C(F)(F)F 3103658 IFKMGFACGFGOKZ-UHFFFAOYSA-N 336.320 4.193 0 40 EIAB c1ccc(-c2nc(COc3ncnc4sccc34)cs2)cc1 3381435 ASAYIUPPSRGUCE-UHFFFAOYSA-N 325.418 4.394 0 40 EIAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2c(c1)CCCC2 4059544 RCXWEEQINPOWDA-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1 4570717 PBCHPJUKGKKMJJ-UHFFFAOYSA-N 328.462 4.153 0 40 EIAB COc1ccc(CCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 4827940 QLSQZEOBMUENQH-UHFFFAOYSA-N 331.415 4.335 0 40 EIAB Cc1cc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)ccc1Cl 5235900 XMKLSDRKWQDAEN-CYBMUJFWSA-N 339.826 4.056 0 40 EIAB COc1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)cc1 5570137 ONQUFTJDSQDXPH-UHFFFAOYSA-N 346.430 4.366 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 5672281 OBODEJNLGCZOTF-UHFFFAOYSA-N 337.297 4.134 0 40 EIAB COc1ccc([C@@H]2OC[C@@]3(COC(C)=O)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 5912140 WSCCZHJZVDZUSC-HLYJZUKSSA-N 344.451 4.164 0 40 EIAB biogenic CC(C)CN(CC(C)C)C[C@@H](O)c1ccc(Br)cc1 5962659 IFPHFRSLRPFJOV-MRXNPFEDSA-N 328.294 4.097 0 40 EIAB N#Cc1ccc(COC(=O)c2ccc(COc3ccccc3)o2)cc1 6125427 CDNXJMHOFOZDES-UHFFFAOYSA-N 333.343 4.087 0 40 EIAB Cc1ccc(NC(=S)N2C[C@H](O)Cc3ccc4ccccc4c32)cc1 6507976 HKHMEUIONZGRLU-GOSISDBHSA-N 348.471 4.269 0 40 EIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F 7587718 GGEMQDSZHYOLBE-LBPRGKRZSA-N 334.341 4.095 0 40 EIAB Cc1cc(COC(=O)c2cc3c(s2)-c2ccccc2CC3)no1 7834906 ZSRQXQBXJDPGDV-UHFFFAOYSA-N 325.389 4.167 0 40 EIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)o1 7884986 RAGHYPRXYQSHNX-LJQANCHMSA-N 348.358 4.088 0 40 EIAB Cc1ccc2nc(CSc3cc(C)c4ccccc4n3)cc(=O)n2c1 7980488 PVFCETLYGWZLNB-UHFFFAOYSA-N 347.443 4.152 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccc(Br)cc2C)s1 7995419 MYFSFQMZURPSJL-UHFFFAOYSA-N 325.231 4.083 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2ccccc2s1 8315309 ZSLDDRYUFVHVHC-OAHLLOKOSA-N 340.448 4.061 0 40 EIAB O=c1[nH]nc(Cc2ccc(-c3cccc(Cl)c3)o2)c2ccccc12 8649096 QPCBIBMHGMBTEM-UHFFFAOYSA-N 336.778 4.427 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc(F)c2)cc1 9141894 UVOXTIUTFBUDJW-UHFFFAOYSA-N 348.377 4.259 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1 10383183 GKVSXFLBEVITEC-UHFFFAOYSA-N 342.414 4.408 0 40 EIAB Cc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12618333 CIFHYZSWBQDRAI-UHFFFAOYSA-N 335.382 4.061 0 40 EIAB Cc1c(C(=O)N[C@@H](c2ccccc2)C2CC2)cnn1-c1ccccc1 12899208 QVCOPBJTUNQIQD-FQEVSTJZSA-N 331.419 4.062 0 40 EIAB CC(C)c1ccc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1 13003711 YJRYOVODTQAPLX-OAHLLOKOSA-N 339.435 4.349 0 40 EIAB CCc1cccc2c(C(=O)C(=O)Nc3nc4ccccc4s3)c[nH]c12 13858144 WMLQTSNYODBNFQ-UHFFFAOYSA-N 349.415 4.161 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCSc1ccc(C)cc1 14803605 BQPOVOLRXLYUHA-UHFFFAOYSA-N 335.856 4.179 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)c1 15883119 AOWFFQGLNGNKRB-UHFFFAOYSA-N 346.430 4.020 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(Br)cc1C 18180810 LCNOLAGALYRORF-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB COc1ccccc1NC(=O)NCCSc1ccc(Cl)cc1 18182299 BBYVQCQNODYBHA-UHFFFAOYSA-N 336.844 4.262 0 40 EIAB Cc1cc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)no1 18199876 SYWNQNUBNQJOCX-CYBMUJFWSA-N 329.208 4.068 0 40 EIAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3ccccc3)o2)s1 19217757 CXOJDVUZSXHXFM-OAHLLOKOSA-N 325.437 4.444 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1 20025658 QCUIARYFHPKYMF-SECBINFHSA-N 340.167 4.218 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(NC(C)=O)c1 20481267 IFRXSHNMOWTSQL-GOSISDBHSA-N 340.423 4.058 0 40 EIAB CN(C(=O)c1cccc(OC(F)F)c1)c1nc2ccccc2s1 26955511 LVWKFZKZBVNNLM-UHFFFAOYSA-N 334.347 4.174 0 40 EIAB CCn1cc(Cl)c(C(=O)Nc2ccccc2Cc2ccccc2)n1 28222692 KMLIXTKRKQOFPA-UHFFFAOYSA-N 339.826 4.400 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 28575736 FKQVKPRBBFBAKO-KBPBESRZSA-N 331.387 4.116 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(F)cccc1F 30856272 FHFXQTYGBUDZPO-ZDUSSCGKSA-N 325.742 4.414 0 40 EIAB Cc1ccc(-c2nc(COc3ccc4ccc(=O)oc4c3)cs2)o1 32316737 SWHRVCOUDUCHIT-UHFFFAOYSA-N 339.372 4.397 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)C1CCCCCC1 32858120 DGYNJUVTKNJMJK-UHFFFAOYSA-N 338.879 4.250 0 40 EIAB Fc1cccc(OCc2nnc(-c3ccccc3C(F)(F)F)o2)c1 36395711 HWORZHGXXLJJGF-UHFFFAOYSA-N 338.260 4.474 0 40 EIAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl 36620614 IICJGEWYENTLHA-MRXNPFEDSA-N 335.856 4.174 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Nc1nc(CSC)cs1 36662237 XXCZKGXEZVSQQG-UHFFFAOYSA-N 343.861 4.312 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1OC 39631980 YVUXELDWZDJQPP-QGZVFWFLSA-N 347.842 4.131 0 40 EIAB CCCCCN(C(C)C)S(=O)(=O)c1ccc(C)c2ncccc12 40119111 BIRWWKWMKLONMS-UHFFFAOYSA-N 334.485 4.133 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 40460668 NXCRAYXPFLFGND-SFHVURJKSA-N 335.407 4.082 0 40 EIAB O=Cc1ccc(OCc2cccc(Br)c2)c(Cl)c1 43488933 FRKAPOHOYODRKK-UHFFFAOYSA-N 325.589 4.494 0 40 EIAB O=C(CS[C@H]1CCCc2ccccc21)N1CCc2ccccc2C1 48355792 IZQJJDWNQQLCKK-FQEVSTJZSA-N 337.488 4.382 0 40 EIAB Cc1nn(C)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 49547978 LICVOMVNZWXNST-ZDUSSCGKSA-N 342.251 4.460 0 40 EIAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(C)C3=O)o2)cc1 59137808 IFQZWQOTVMEKIA-UKTHLTGXSA-N 331.418 4.405 0 40 EIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(c2ccc(O)cc2)CC1 65623566 AHHMBQNPABXZPR-OAHLLOKOSA-N 348.446 4.324 0 40 EIAB COC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F 66489242 LSKMRHMTIDISST-UHFFFAOYSA-N 340.713 4.049 0 40 EIAB Cc1ccsc1-c1nnc(S[C@@H](C)c2nc(C3CC3)no2)o1 69374447 QYQBLOYFCFTCIW-QMMMGPOBSA-N 334.426 4.220 0 40 EIAB CC(C)Oc1ccccc1NC(=O)N(Cc1cccnc1)C(C)C 69380847 UFLIOHRODCFFND-UHFFFAOYSA-N 327.428 4.311 0 40 EIAB O=C(C[C@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1 69418811 MTLTXPLGBZDJDF-HUUCEWRRSA-N 333.478 4.177 0 40 EIAB Cc1ccccc1-n1cnnc1S[C@H](C)c1nc(C(C)(C)C)no1 69597135 CBSRKAOVSZFREL-GFCCVEGCSA-N 343.456 4.110 0 40 EIAB COc1ncccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1 72271033 VDDHBUZKPBDFMN-UHFFFAOYSA-N 347.418 4.175 0 40 EIAB CC(C)c1csc([C@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72297268 QEEZDNVGCUURBQ-AWEZNQCLSA-N 332.469 4.198 0 40 EIAB Cn1cccc1[C@@H]1CCCCN1c1ncnc2c1oc1ccccc12 72310213 YFYPGFHCXHWTHP-INIZCTEOSA-N 332.407 4.446 0 40 EIAB C[C@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccncc1 76083725 AWXRNVNMFHCTGY-AWEZNQCLSA-N 336.395 4.169 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 78579374 YEBUDLHOEKZICZ-UHFFFAOYSA-N 345.870 4.419 0 40 EIAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2Cl)no1 95998841 WPJGLMPFZRYDET-AWEZNQCLSA-N 334.807 4.181 0 40 EIAB Cc1cnc(CN[C@H](c2ccc(Br)cc2)C2CCC2)cn1 96476668 FYYKIAOMBVUMTQ-KRWDZBQOSA-N 346.272 4.179 0 40 EIAB CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)/C=C/c1ccccc1)C2 100425687 LSGJJWILUVPJIQ-OKLSWEBGSA-N 326.484 4.002 0 40 EIAB CCCCOc1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 100811285 GCHXKYZIHFNQSM-VXPUYCOJSA-N 340.448 4.160 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@@H]1C2 100868085 ARZVELAWNXFNEU-ABKXIKBNSA-N 326.223 4.327 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC(C)C)cc1 113959913 YAMKROGROOJEDF-GOSISDBHSA-N 345.414 4.087 0 40 EIAB Cc1nc(CCCC(=O)N2CC[C@H](C)c3cccc(O)c32)cs1 186284205 AVLHFGRILVGTBV-LBPRGKRZSA-N 330.453 4.020 0 40 EIAB COc1ccccc1CN(C)C(=O)CSCc1ccc(Cl)cc1 216300977 PJOWQMSOWXKRLG-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222956933 UTLGDCWAOOTAFL-INIZCTEOSA-N 337.463 4.384 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 222999002 AMITYUKNNJQIJU-JKSUJKDBSA-N 325.452 4.456 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223201054 FTDMFOCMHBWQBC-ZDUSSCGKSA-N 349.883 4.009 0 40 EIAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccncc1 223915151 TUBSZOYWDZTAOU-UHFFFAOYSA-N 343.839 4.482 0 40 EIAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccccc1Cl 224474843 VKZAXZQQDACYPC-UHFFFAOYSA-N 345.826 4.210 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)c(C)c1 225437200 NFHSCLSXOGXPFF-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB CCCOC(=O)c1ccc(N[C@@H](C)CCc2ccccc2)c(N)c1 225448763 YUNKYBRLOUXDOK-HNNXBMFYSA-N 326.440 4.269 0 40 EIAB Cc1ccnc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225570084 KARKGWURZZUYQT-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB Cc1ccc(C2(NC(=S)Nc3ccc(C)cn3)CCCC2)cc1 225872436 ZAKNPJBTRIFQNT-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OC)c(C)c1 225896029 IVPQWNAIMUBOIO-UHFFFAOYSA-N 336.476 4.205 0 40 EIAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)nc1 225906390 CGAANOHRBRJRKA-UHFFFAOYSA-N 336.476 4.286 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccccc2F)n1 225917547 DVVBUKNQAFHOQK-UHFFFAOYSA-N 336.370 4.228 0 40 EIAB CO[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 248149808 VNBQJFAKIYBISH-NUJGCVRESA-N 343.467 4.144 0 40 EIAB Cc1cc(CC[C@H]2CCCN2C(=O)CCc2cccs2)ccn1 257258791 KVONVYVKUYIVRI-QGZVFWFLSA-N 328.481 4.008 0 40 EIAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCc3ccccc32)cc1 260408714 KDSSEBLOISMXHT-YYWHXJBOSA-N 346.474 4.168 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccn(C(C)C)c3)N21 260775223 PUBOYEXAIIQHAV-NXHRZFHOSA-N 340.496 4.443 0 40 EIAB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409102144 YDJTXQGALRDUGD-SFQUDFHCSA-N 339.416 4.322 0 40 EIAB C[C@@H]1CC[C@@H](Cc2nc(-c3ccc(OC4CCOCC4)cc3)no2)C1 545792589 RSHNHNVNYDCAPZ-HUUCEWRRSA-N 342.439 4.273 0 40 EIAB Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(Cl)c2ccncc12 614157774 QOWHWFLUWWNCBA-UHFFFAOYSA-N 340.814 4.142 0 40 EIAB CC1(C)CCC=C(c2cc3c(cc2OC(C)(C)C(=O)O)OCC3)C1 1615055474 NRDULCZVJMAFHW-UHFFFAOYSA-N 330.424 4.457 0 40 EIAB Cc1cc(OCCCn2nc(C(=O)O)cc2C2CC2)cc(C)c1Cl 2037873710 NYIFLCJDDDLBBF-UHFFFAOYSA-N 348.830 4.198 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccs1 357259 AJAQEOYRLNGEPS-UHFFFAOYSA-N 328.437 4.063 0 40 EIAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 514114 IPMQFAWEXYRJEA-UHFFFAOYSA-N 343.423 4.019 0 40 EIAB COC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12 1356037 URTUFFMZYJYPRE-UHFFFAOYSA-N 330.453 4.018 0 40 EIAB CN(C)c1nc(SCc2ccccc2Cl)nc2c1CCCC2 1403599 FXWAORWTZYSEBU-UHFFFAOYSA-N 333.888 4.367 0 40 EIAB C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)c1ccccc1 1581125 CGZUGJGJUVSIIS-FQQGMQMYSA-N 349.474 4.189 0 40 EIAB c1ccc(CCNCc2ccc(CNCCc3ccccc3)cc2)cc1 1726069 XLKOHAAAFHSBGQ-UHFFFAOYSA-N 344.502 4.351 0 40 EIAB Nn1c(SCc2cccc3ccccc23)nnc1C1CCCCC1 2388086 YGNXFXPULXPWIL-UHFFFAOYSA-N 338.480 4.485 0 40 EIAB Cc1ccccc1NCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 3015070 XRZBRFLOEPAALP-YBEGLDIGSA-N 342.395 4.240 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=O)Nc2ccccc21 3212126 JSGLRNRIHMRPBC-LFIBNONCSA-N 335.794 4.327 0 40 EIAB COc1ccc(CN2C(=O)C(F)(F)[C@H]2c2cccc(Cl)c2)cc1 3231188 AOWKGNYZPOAYFH-OAHLLOKOSA-N 337.753 4.067 0 40 EIAB Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4028179 DYBNZLJIMZQRMD-CQSZACIVSA-N 348.398 4.240 0 40 EIAB biogenic Cc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c(C)c1 4286648 KGJXSAAAGWWYHS-UHFFFAOYSA-N 335.403 4.143 0 40 EIAB Cc1nc2cc(NC(=O)CSc3ccc(F)cc3)ccc2s1 4496720 KKOXXUOBRCFOHQ-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)NC2CCCCCC2)c1 5062417 USYYUDFLESMJFJ-UHFFFAOYSA-N 342.439 4.323 0 40 EIAB COc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1 5321526 QFJHJZOCDXGFPL-UHFFFAOYSA-N 348.446 4.271 0 40 EIAB COc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 5552744 PRNUEXCPOXIIRR-RPGBBNPCSA-N 327.361 4.085 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c(C(=O)O)c1 6926210 JQXCLKVXSBODOR-FPYGCLRLSA-N 336.174 4.344 0 40 EIAB O=C(Cc1cccc(F)c1)Nc1ccc(Br)cc1Cl 7748097 ZWNNXLAYKSWVPA-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB COc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1OC 8320924 LDUKKSFKYWMVII-VQHVLOKHSA-N 335.359 4.121 0 40 EIAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccccc1O 8997494 LFFQZCOPXCSQJT-UHFFFAOYSA-N 349.209 4.017 0 40 EIAB Cc1cccc2nc(CSCc3ccc(Cl)cc3)cc(=O)n12 10276777 PVCWIMNRCROEAX-UHFFFAOYSA-N 330.840 4.090 0 40 EIAB CCc1ccc(N2C[C@@H](c3nc(-c4cccc(C)c4)no3)CC2=O)cc1 10336559 HCXWILKDQCUPGV-KRWDZBQOSA-N 347.418 4.128 0 40 EIAB Cc1ccsc1-c1nnc2sc(-c3ccc4ccccc4n3)nn12 12389000 LXFURNULPASKFH-UHFFFAOYSA-N 349.444 4.438 0 40 EIAB CCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccc2nccnc2c1 12389218 XURDEOSIRHIHCU-FQEVSTJZSA-N 344.418 4.026 0 40 EIAB Cc1cc(C)n(-c2cc(Oc3cccc(C(F)(F)F)c3)nc(C)n2)n1 12408953 VSHBNDIPQKUANU-UHFFFAOYSA-N 348.328 4.399 0 40 EIAB CC(C)c1nnc(SCc2cn3cc(Cl)ccc3n2)n1C1CC1 12531361 XSBWYCALLSVHOW-UHFFFAOYSA-N 347.875 4.330 0 40 EIAB O=C(NCC1CC1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 12972395 IWPWPYLCCLMSEZ-MRXNPFEDSA-N 339.464 4.071 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2Cl)no1 13494850 INAMBEWGYJGZAZ-SNVBAGLBSA-N 345.761 4.020 0 40 EIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc2nc(C(F)(F)F)[nH]c2c1 13686169 JPQKBPFHRZUZNC-UHFFFAOYSA-N 344.296 4.315 0 40 EIAB Cc1ccc(O)c(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 13693219 MBISOAIGXFINJA-UHFFFAOYSA-N 349.415 4.353 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 14258434 TZFLYXXHHBBCAH-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB COc1cc(C(=O)NCC(C)C)ccc1OCc1ccccc1Cl 17127645 NZWWMBNULNSFRO-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 20110782 LQHQDBJIJCFWJL-CVEARBPZSA-N 329.415 4.396 0 40 EIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 21596384 KGGPGUQOGJEGHI-UHFFFAOYSA-N 338.782 4.218 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1 23818802 ROJHDQNITXTYCH-AWEZNQCLSA-N 335.403 4.348 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)[C@@H]1CCc2ccccc21 24837952 IMEJMDLWSAKNRI-QGZVFWFLSA-N 349.459 4.273 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1O 24987328 BMGRRCDYURZABE-UHFFFAOYSA-N 346.745 4.400 0 40 EIAB Cc1occc1C(=O)Nc1ccc(Br)c2cccnc12 27930148 VEUSKPUHWYUPHB-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)oc2c1 28291343 DMTWTLDRJMRJPY-SFHVURJKSA-N 336.435 4.082 0 40 EIAB COc1ccc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc1OC 30952909 DFWWJHNJUKOQHI-SFHVURJKSA-N 341.798 4.193 0 40 EIAB CCc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1 32741322 GIPKKXAZPGSURG-OAQYLSRUSA-N 349.430 4.483 0 40 EIAB O=C(N[C@H]1CCc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 32769198 JAKQIMWXOKKSEO-FQEVSTJZSA-N 343.430 4.167 0 40 EIAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccccc1F 36359781 VUOSRTDVCDBLLO-ZDUSSCGKSA-N 337.354 4.144 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 38771919 LMCJBGBFKCLVGM-CQSZACIVSA-N 325.742 4.414 0 40 EIAB CC(=O)c1c(C)cc(C)c(CNc2ccc(C(=O)N(C)C)cc2)c1C 40473366 IZPOGGHRPBOKNO-UHFFFAOYSA-N 338.451 4.128 0 40 EIAB Cc1cccn2c(NC(=O)CC[C@H]3CCCO3)c(-c3ccccc3)nc12 46163852 PGQBOMZPHBZCGS-QGZVFWFLSA-N 349.434 4.207 0 40 EIAB O=C(CCc1ccc2ccccc2c1)NC[C@@H]1COc2ccccc2C1 54131317 YMKCSZHGPJSVIV-GOSISDBHSA-N 345.442 4.140 0 40 EIAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl 57529607 HLAMDRGKWMQGOB-FZKQIMNGSA-N 328.843 4.011 0 40 EIAB Cc1oc(-c2ccccc2)nc1CNC1(c2ccccc2)CCOCC1 71907428 RQCRSRZYFLAYPH-UHFFFAOYSA-N 348.446 4.446 0 40 EIAB COc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1Cl 72229476 KDVQNRSRFFIZPV-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccccc2CN2CCc3ccccc32)o1 72301023 DCISKMOMDOLKFE-UHFFFAOYSA-N 347.418 4.106 0 40 EIAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)n1ccc(C(F)(F)F)n1 75147263 PKKJQIHSTJQCOX-QMMMGPOBSA-N 342.708 4.215 0 40 EIAB O=Cc1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 78532608 MFNYDDQMXQMNHO-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB CCc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)sc1C 79336475 CYFIQXSQMIHXQP-UHFFFAOYSA-N 328.359 4.223 0 40 EIAB COc1ccc(N2C[C@@H](c3nc4cc(Cl)ccc4o3)CC2=O)cc1 82087155 MEQOFQDBQOWYRO-NSHDSACASA-N 342.782 4.010 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1cnn(-c2ccc(Cl)cc2)c1 84598148 TYXLNWVYHUAGBK-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB CC(C)NC(=S)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 84620667 YSJIBNGIBBCZIM-MRXNPFEDSA-N 336.863 4.441 0 40 EIAB CC(C)Oc1ccccc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 89890908 UNMOVIPXXMHMEZ-UHFFFAOYSA-N 347.418 4.207 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cc(OCc2ccccc2)no1 90610023 PJVYHCFBJZJVBC-UHFFFAOYSA-N 342.782 4.468 0 40 EIAB Cn1c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc2ccccc21 95981378 DZKOBYMKYJNZHB-UHFFFAOYSA-N 335.190 4.443 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1ccncc1N1CCCCC1 96012126 UVXFLILIUOYRSV-UHFFFAOYSA-N 347.821 4.046 0 40 EIAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)c(F)c1 96296176 WLCXEEZJSATXFB-SFHVURJKSA-N 347.409 4.061 0 40 EIAB biogenic,in-vitro Oc1cc(Cc2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn12 103897121 GZDSUODXURSUIO-UHFFFAOYSA-N 335.794 4.346 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H](O)[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)OCCO4 119280838 IDOHVJIGNBUAFN-NRVHICEFSA-N 334.500 4.133 0 40 EIAB Cc1cccc(CSCC(=O)N[C@@H](C)COc2ccccc2C)c1 222744723 YDWNSQOREWPBLE-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1cccc(OC)c1 225395277 NRYHSEWMGCEJQM-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCCC1 225658556 UKDPFLYRPJWFTB-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB CC1CCN(C(=O)CCc2nc(-c3cccc4ccccc34)no2)CC1 225829347 ZMCOOHZFUVYLIV-UHFFFAOYSA-N 349.434 4.081 0 40 EIAB CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C 226277465 NVHPICYXZWINBQ-INIZCTEOSA-N 326.440 4.423 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@H]2C)c(C)c1 226284831 SKZCNVJRRBSYFK-CYBMUJFWSA-N 328.378 4.289 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 408779067 QCGRHAPFWJVGSS-CQSZACIVSA-N 343.448 4.124 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2cccs2)o1 575607649 AXXHHHVNVHZHAS-ZDUSSCGKSA-N 327.405 4.092 0 40 EIAB O=C(O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 585164873 PTDSILAKCXNFDJ-UHFFFAOYSA-N 332.346 4.056 0 40 EIAB O=C(CCc1ccccc1F)NC[C@@H](c1ccsc1)c1ccco1 675008072 VBPHKCMLJTWPQC-INIZCTEOSA-N 343.423 4.361 0 40 EIAB CCCCOC(=O)OCCCC(F)(F)C(F)(F)Br 1083809808 LYAZEUGAIAABEC-UHFFFAOYSA-N 339.123 4.343 0 40 EIAB CC(C)Cn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 200876 FJRBJBCPZLEGLN-INIZCTEOSA-N 335.451 4.112 0 40 EIAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 213957 NNIDFDGGXNCJLZ-LBPRGKRZSA-N 332.494 4.080 0 40 EIAB COc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 508127 FSTLCGGCVFGNLM-UHFFFAOYSA-N 342.358 4.237 0 40 EIAB CC(C)[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 523670 LUMMOJVVZFNNRB-NSHDSACASA-N 332.256 4.325 0 40 EIAB O=c1oc2cc3occ(-c4ccc5c(c4)OCO5)c3cc2c2c1CCC2 525745 HJOFPQFQONWRFF-UHFFFAOYSA-N 346.338 4.424 0 40 EIAB biogenic Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1Cl 819140 GFEYXUJSCXPUGN-UHFFFAOYSA-N 341.798 4.081 0 40 EIAB COc1cnc(-c2ccccn2)nc1Sc1ccc(Cl)cc1 1401643 LZZXJXVVDIPROL-UHFFFAOYSA-N 329.812 4.352 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1)CO3 2159476 GJEXXYIVHRVWKF-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic O=C(Cc1ccccc1F)Nc1nc(-c2ccc(F)c(F)c2)cs1 2639365 SQJBBXKCKHRTEL-UHFFFAOYSA-N 348.349 4.409 0 40 EIAB Cc1cccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)c1 2694161 LMJZTXKZAITUMY-UHFFFAOYSA-N 343.434 4.243 0 40 EIAB Cc1ccccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 2787506 FLJLLICSYWVMMO-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB CC(=O)Nc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1 3080206 HNNGFKFHGIXOCZ-UHFFFAOYSA-N 325.393 4.218 0 40 EIAB C[C@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCCC1 3207161 YWYIJPAYNZMWDV-SUMWQHHRSA-N 347.459 4.234 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1 3392461 SQWMEZOEQKVFEU-AWEZNQCLSA-N 341.407 4.004 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Br)c1 3445754 DNNWIBOTPJNDIS-UHFFFAOYSA-N 347.208 4.106 0 40 EIAB O=[S@@](Cc1cc(Cl)nc(-c2ccccc2)n1)c1ccccc1 4060066 YXOAJQDUIOYQCQ-JOCHJYFZSA-N 328.824 4.105 0 40 EIAB Cc1nc(SCC(=O)N2CCCc3ccccc32)c2ccccc2n1 4241246 CYKPRGCBXDOYRC-UHFFFAOYSA-N 349.459 4.010 0 40 EIAB Cc1cc(C)cc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c1 4313375 PZQVRWGCNATEJC-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 4482372 QFAIHEZZKXAUHZ-UHFFFAOYSA-N 339.464 4.360 0 40 EIAB CCOc1ccccc1CNc1ncc(-c2ccc(OC)cc2)n1C 4678565 BPBRQTSLTYFPOJ-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB CCCCN(C(=O)C1CCC1)c1nnc(-c2cccc(F)c2)s1 4982568 RBDGLPVAVZJNOY-UHFFFAOYSA-N 333.432 4.277 0 40 EIAB CCCC(=O)N(CCC)c1nnc(-c2ccc(OCC)cc2)s1 4982603 HGGDFRKFTZBFHC-UHFFFAOYSA-N 333.457 4.147 0 40 EIAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 5885533 VNAONBQLMDHGDP-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 6392621 PKYZKUHVCATWMB-SNVBAGLBSA-N 327.277 4.251 0 40 EIAB CCC(CC)NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 6973318 DECNXBNRZXBMDH-UHFFFAOYSA-N 337.533 4.402 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)c1 8269860 VLTHDICAZQPVHZ-CYBMUJFWSA-N 331.437 4.132 0 40 EIAB Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C)cc1Cl 8697866 REXKNJBFLYAUGA-UHFFFAOYSA-N 346.839 4.306 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1C 8944609 GEIAILPOUXXNQR-INIZCTEOSA-N 325.408 4.114 0 40 EIAB COc1ccc(SCCCC(=O)Nc2ccc(F)cc2F)cc1 10218012 BWZAUDVCFJRDAT-UHFFFAOYSA-N 337.391 4.484 0 40 EIAB CCOc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 10311584 UUMOKMJDFNTSKH-UHFFFAOYSA-N 340.383 4.058 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1ccccc1 12311507 FJRVLNHAHKUKFS-QRQLOZEOSA-N 346.467 4.166 0 40 EIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCCCC3)c(C)c12 12733789 RXKKCRVJZSTBOP-UHFFFAOYSA-N 331.485 4.232 0 40 EIAB O=C(Nc1nc(SCc2ccccc2)ns1)c1ccccc1F 12771649 CXOKKADTWDWTTM-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CSc2ccccc2Cl)c1 12950536 RTGHPVDHFVSOID-UHFFFAOYSA-N 334.828 4.029 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1nc2ccccc2o1 12989404 UVIBLFQYNCUJQT-KIUWMYQTSA-N 338.432 4.439 0 40 EIAB O=C(c1ccc(OC(F)F)cc1)N1CCCSc2ccccc21 12997233 VGROMAFZWHDFEN-UHFFFAOYSA-N 335.375 4.431 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710337 XYUPDXRUFPVLSX-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB c1ccc(-c2cnc(CSc3nnc(-c4ccncc4)o3)o2)cc1 14094861 UUJLBEDCERQDDM-UHFFFAOYSA-N 336.376 4.079 0 40 EIAB FC(F)(F)c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1 14307336 XBRBYFJNVRVASY-UHFFFAOYSA-N 346.356 4.361 0 40 EIAB Cc1nc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)sc1C 15356173 MIHJKOLHDAFCPB-UHFFFAOYSA-N 338.436 4.075 0 40 EIAB CC(C)(C)SCCNC(=O)CSCc1cccc(Cl)c1 16322958 NZAQVFLCROQRIN-UHFFFAOYSA-N 331.934 4.221 0 40 EIAB O=C(Nc1nnc(S)s1)N(c1ccccc1)c1ccccc1 16488003 GBZPQUMYSAGSPH-UHFFFAOYSA-N 328.422 4.197 0 40 EIAB CC(C)(C)c1ccc(-c2nc3cc(NC(N)=S)ccc3o2)cc1 20154512 DISCLJUAZAMQNU-UHFFFAOYSA-N 325.437 4.448 0 40 EIAB C[C@@H](NCc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 20876099 DSRKQIASIFNRRG-RWLLOJOVSA-N 327.468 4.152 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccccc2)c1 26316041 PVHMMEUUGPTEIB-CABCVRRESA-N 339.439 4.109 0 40 EIAB COc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccccc3)o2)cc1F 27211251 UCVTUIDVEUPJCM-ZDUSSCGKSA-N 341.386 4.077 0 40 EIAB CCOCc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C1CC1 28347363 YJOGYWLBJWWTIO-FQEVSTJZSA-N 338.451 4.174 0 40 EIAB O=C(NCc1ccc(Cl)s1)c1ccc(Br)cc1 29170285 RHEBTKSHJGCLDV-UHFFFAOYSA-N 330.634 4.094 0 40 EIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl 32603637 QCLQEXKRUXPUTH-UHFFFAOYSA-N 344.263 4.204 0 40 EIAB O=C(Cc1cccc(F)c1)NCC(c1ccccc1)c1ccccc1 36764539 WHTLHIOEAPAEQE-UHFFFAOYSA-N 333.406 4.317 0 40 EIAB COc1ccc(OC)c(C(=O)c2ccc(Br)cc2C)c1 36829413 WEFYSDNIEBHYCG-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB COc1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2Cl)cc1 40144341 ZVPCHXLKYQNKGV-UHFFFAOYSA-N 328.799 4.102 0 40 EIAB CSc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40266136 NJGYUTUSYLKRFD-OAHLLOKOSA-N 336.420 4.113 0 40 EIAB O=C(NCc1ccc(F)cc1)Nc1ccc(SC(F)F)cc1 43119278 LVUWOBUJQNIIPY-UHFFFAOYSA-N 326.343 4.462 0 40 EIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccoc1 47089936 CCHFKQBBGNLATE-JTQLQIEISA-N 327.211 4.489 0 40 EIAB CC(=O)Nc1cc(NC(=O)N[C@@H]2CCCc3ccccc32)ccc1C 48363220 ALWISPQRYJDTTQ-GOSISDBHSA-N 337.423 4.153 0 40 EIAB COc1ccc(Br)cc1NC(=O)c1ccc(C)cc1C 48444672 PQPILHNWQNWFNP-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB O=C(NOCc1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1 63914897 PGEBWJQMOPAYJB-UHFFFAOYSA-N 332.812 4.258 0 40 EIAB CCCCCNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 72302624 JRTBFUIVSRCCLU-RDJZCZTQSA-N 348.487 4.195 0 40 EIAB O=C(c1cc(C2CC2)on1)N(Cc1ccsc1)Cc1ccco1 75170172 NPLRDBKOLFYEOI-UHFFFAOYSA-N 328.393 4.049 0 40 EIAB CCn1cc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cn1 81279688 HYHCCBAXWVONJY-MRXNPFEDSA-N 333.435 4.403 0 40 EIAB CSc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)cc1 85651245 NHXXFKZVRFDKHM-UHFFFAOYSA-N 343.517 4.188 0 40 EIAB CC(=O)N(C)c1cccc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)c1 86302081 BSHXMVNJUMLLDF-CYBMUJFWSA-N 341.411 4.020 0 40 EIAB C[C@H]1CC(CCN(C)C2CCN(C3CCOCC3)CC2)C[C@H](C)C1 89123511 ZFWGKUIBXXMISA-QZTJIDSGSA-N 336.564 4.024 0 40 EIAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl 95417743 RADUDUOUFXCBLR-IAQYHMDHSA-N 338.234 4.235 0 40 EIAB C[C@@H](NCc1ccnc(-n2cccn2)c1)c1cccc(C(F)(F)F)c1 95420079 JPZINYSOEDKREJ-CYBMUJFWSA-N 346.356 4.137 0 40 EIAB COc1ccccc1/C=C/CNc1cccc(C[S@@](C)=O)c1C 95429141 MEJNQFCXKRJYOX-KXOMFBTKSA-N 329.465 4.007 0 40 EIAB CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1C 96104991 QGEAFVUUZBRDJB-KRWDZBQOSA-N 343.492 4.372 0 40 EIAB C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 96477594 XKJGTGKOJDMYJT-ZIAGYGMSSA-N 348.487 4.260 0 40 EIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCc1ccco1 97021718 QFTDOCVJXSNQPR-ZDUSSCGKSA-N 335.473 4.113 0 40 EIAB O=C(O)CCc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 97166008 PVFVFUZBNDQCHN-UHFFFAOYSA-N 341.338 4.077 0 40 EIAB COc1ncccc1C(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 97166834 IINNUGMEUZKHBV-LBPRGKRZSA-N 330.815 4.109 0 40 EIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)N5CCCC5)(C4)C2)C3)cc1 100872920 WKTNCQQIXKWCBE-HTAFUYNTSA-N 338.495 4.391 0 40 EIAB CCc1nc(C)c([C@@H](C)NCc2ccc(-n3cccn3)cc2)s1 178089595 YDZQZOMMEFMCHJ-CYBMUJFWSA-N 326.469 4.050 0 40 EIAB Cc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1Cl 216955198 ZOHJCBAFTIYHGW-UHFFFAOYSA-N 327.767 4.298 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccccc1F 223736463 JXTBILPTLZVKTI-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccc(OC)c(C)c1 225765110 VLJVQSBUHNHZRO-QGZVFWFLSA-N 328.412 4.285 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@H]3CCC[C@@H](C)C3)no2)C1 390833114 CFKJAJQYJDHQNB-UGUYLWEFSA-N 333.476 4.115 0 40 EIAB CCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(F)cc1 408562488 QBZNMWAWMKSWEX-ZZEZOPTASA-N 344.411 4.272 0 40 EIAB O=C1N[C@H](c2cccs2)Nc2c1sc(=S)n2-c1ccccc1 51790 RWOVYKGCCMDWEU-GFCCVEGCSA-N 345.474 4.184 0 40 EIAB O=C(C[C@@H](SC1CCCCC1)C(=O)O)c1ccc(Cl)cc1 122074 XEMPCCOMITUYOD-OAHLLOKOSA-N 326.845 4.432 0 40 EIAB CCc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2nc1CC 217447 YVXQCOUDRHLMED-AWEZNQCLSA-N 333.435 4.246 0 40 EIAB COc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 320062 WYHQXEGQEZLHIH-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB CCCc1nn(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 385494 POKNVWONCBDCMP-UHFFFAOYSA-N 345.752 4.297 0 40 EIAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1cccc(C)c1 426369 MPGVOWMWTMWKFD-UHFFFAOYSA-N 345.406 4.266 0 40 EIAB Cc1ccc2oc(-c3cc(Br)ccc3O)cc(=O)c2c1 950325 ALGFQPMFHIDLFQ-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccccc1 3171993 IVVYITXRAYWUAQ-NRFANRHFSA-N 349.817 4.189 0 40 EIAB COc1ccc(-n2c(SCCC(C)=O)nc3ccccc32)cc1 5113463 KDHFPTSJSAPMQF-UHFFFAOYSA-N 326.421 4.105 0 40 EIAB COc1cc(C2=NO[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)ccc1OCc1ccccc1 5205304 SJQAZNABLBLTPC-WEMWZYORSA-N 349.430 4.423 0 40 EIAB Cc1cc(N2C(=O)c3cccc4cccc(c34)C2=O)c2ccccc2n1 5394213 KMNHZEPMLCPVCS-UHFFFAOYSA-N 338.366 4.497 0 40 EIAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1C 7602770 BMJBQMQNTBIIJP-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 7652752 RLDYCSNQOIOQLU-MRXNPFEDSA-N 348.446 4.307 0 40 EIAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1Cc1cccs1 8132140 RXHUENPSCDQALU-UHFFFAOYSA-N 349.459 4.447 0 40 EIAB COc1cccc(CCC(=O)Nc2ccc(C)c(Cl)c2)c1OC 8275792 FFPFVGVLZUGGEG-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2C)cc1 8415731 UZCGHLGAODDRHA-UHFFFAOYSA-N 336.435 4.275 0 40 EIAB COc1ccc(C)cc1NC(=O)c1oc2c(c1C)[C@@H](O)CC(C)(C)C2 9484431 HVTFHYOABUSGBA-AWEZNQCLSA-N 343.423 4.163 0 40 EIAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1cc(Cl)ccc1F 10340287 ZHEUHWPKKNWNKT-KRWDZBQOSA-N 332.806 4.255 0 40 EIAB Cc1cc(C)c(NC(=O)CSCc2nc3ccccc3[nH]2)c(C)c1 12445076 QEGLHXGOGDVYNL-UHFFFAOYSA-N 339.464 4.360 0 40 EIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2o1 12783430 UTXSBAKQZJJXQE-JTQLQIEISA-N 329.787 4.229 0 40 EIAB Cc1c([C@@H](C)NC(=O)C(C)C)cnn1-c1cccc(C(F)(F)F)c1 12913763 DANOWBQLUPYAGR-LLVKDONJSA-N 339.361 4.033 0 40 EIAB CCN(Cc1cc2ccccc2nc1O)C(=O)c1cccc(Cl)c1 13483417 OQLSJPDLQZXAMW-UHFFFAOYSA-N 340.810 4.256 0 40 EIAB Fc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1Cl 13690110 BMGOHTFPGWNVGG-UHFFFAOYSA-N 336.804 4.374 0 40 EIAB CC[C@@H]1CCCCN1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 15256482 KCCXMAVTDNUQDR-GOSISDBHSA-N 331.504 4.124 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(OC)ccc1OC 19933387 LJTLEZYGFVXLFZ-INIZCTEOSA-N 349.814 4.153 0 40 EIAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(Br)c1 20029687 WJPXCZVLOISWQY-VIFPVBQESA-N 340.167 4.218 0 40 EIAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(C)cc1 22073021 ULIQNIZQHPOXTD-UHFFFAOYSA-N 347.418 4.072 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1cc(C)cc(C)c1 25079080 AIPFRZOSADPYSV-MRXNPFEDSA-N 343.492 4.423 0 40 EIAB COc1ccc2cc(CN(C)C[C@H](O)c3ccc(F)cc3)ccc2c1 25233947 ZTYGYUPNRBOFLG-NRFANRHFSA-N 339.410 4.153 0 40 EIAB COc1ccc(CN(C)[C@H](C)c2nnc(-c3ccccc3)o2)cc1F 27211255 UCVTUIDVEUPJCM-CYBMUJFWSA-N 341.386 4.077 0 40 EIAB O=C(NCC1CC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29648568 OAZQNTFHSRFHGT-UHFFFAOYSA-N 336.366 4.288 0 40 EIAB O=C(Nc1ccc(N2CCCC2)cc1)c1csc(-c2ccco2)n1 31303524 MKVLYZMPSZNXPQ-UHFFFAOYSA-N 339.420 4.256 0 40 EIAB CC(=O)Nc1ccc(OC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1 32426525 KEGGEFHORMWLNI-UHFFFAOYSA-N 348.402 4.224 0 40 EIAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1cccs1 32469697 FFXJJQIWUIADII-UHFFFAOYSA-N 345.445 4.019 0 40 EIAB CCN(CC)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 32903718 BYOWJTXLMWDINX-UHFFFAOYSA-N 335.407 4.194 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2c(C)cccc2C)CC1 39744873 MFKJCWKCKGBXDM-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB Cc1c(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)cnn1C 40033816 HEBGQUOJJGYABR-IBGZPJMESA-N 327.472 4.054 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)c1ccc(O)cc1 40071994 XCGBYDLLNNJPHB-UHFFFAOYSA-N 326.783 4.179 0 40 EIAB C[C@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@@H]1CCCO1 40072574 NQQVHHNBDOLNJV-WFASDCNBSA-N 325.437 4.338 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccccc1F 40116467 KDGNCPUWVOYGDT-NSHDSACASA-N 341.304 4.101 0 40 EIAB CC[C@H](C)c1noc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 40714427 RZJJDQNYCRCVCK-ATOWBYMVSA-N 339.439 4.003 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(C)s2)cc1 43408662 WYEDZYOQIWWGEX-HNNXBMFYSA-N 346.456 4.004 0 40 EIAB CCC(=O)Nc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1 44106611 IHMOUNJYQPKEAQ-UHFFFAOYSA-N 331.803 4.010 0 40 EIAB CC[C@H](CNC(=O)Nc1cc(OC)ccc1OC)c1ccccc1 48331912 CAKOZQNDDIULEQ-CQSZACIVSA-N 328.412 4.019 0 40 EIAB O=C(CCc1ccc2ccccc2c1)NC[C@H]1COc2ccccc2C1 54131315 YMKCSZHGPJSVIV-SFHVURJKSA-N 345.442 4.140 0 40 EIAB O=C(O)c1cnc(/C=C/c2csc(-c3ccc(F)cc3)n2)s1 58382128 GPWZOLTYRDWDKZ-AATRIKPKSA-N 332.381 4.274 0 40 EIAB CSc1nnc(CNC(c2ccccc2)c2ccccc2)s1 58411600 PNSJBIZVDJVEEN-UHFFFAOYSA-N 327.478 4.139 0 40 EIAB O=C(Nc1ccc(O)cc1)c1nn(-c2ccccc2)c2c1CCCCC2 60481021 HQMATWAZAURFOJ-UHFFFAOYSA-N 347.418 4.099 0 40 EIAB O=C(Nc1nnc(C2CCCCC2)s1)c1noc2c1CCCCC2 61721641 VTKNGJSVPGPIDH-UHFFFAOYSA-N 346.456 4.095 0 40 EIAB Cn1c([C@@H](NCc2cccc(O)c2)c2ccccc2)nc2ccccc21 71792621 OHVYJPGVCLFGFB-NRFANRHFSA-N 343.430 4.158 0 40 EIAB CCOc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72211810 DTYPSXPVSFTOKK-GOSISDBHSA-N 340.423 4.344 0 40 EIAB Cc1ccccc1-c1cnc(CNc2ccc(C(N)=O)c(Cl)c2)o1 72911500 UGFPSWJEDMBZHR-UHFFFAOYSA-N 341.798 4.014 0 40 EIAB Cc1ccc(-c2cnc(Cn3cnc4cc(F)c(F)cc43)o2)cc1 75109786 CHGHPHMONQNIIT-UHFFFAOYSA-N 325.318 4.326 0 40 EIAB CCc1ccc(CN(Cc2nc(O)c3sccc3n2)C2CC2)cc1 83823659 PMSDWJZCXVFPSL-UHFFFAOYSA-N 339.464 4.124 0 40 EIAB O=C(c1ccc(OC2CCCC2)cc1)N1CCc2sccc2C1 84387953 LCGCOAOCLPTMRT-UHFFFAOYSA-N 327.449 4.268 0 40 EIAB CC1CCC(N(C)C(=O)Nc2cccnc2N2CCCCC2)CC1 95954176 MRFSKGMXRIVUQE-UHFFFAOYSA-N 330.476 4.114 0 40 EIAB Cc1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1Cl 96182465 IJEVMRXNHDWTGF-UHFFFAOYSA-N 338.860 4.276 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ncc(C(C)(C)C)o1 96471548 PGEJWIAFAPJCSI-NSHDSACASA-N 341.860 4.302 0 40 EIAB O=C1[C@@H]2[C@H]([C@@H]3[C@H]4C[C@@H]([C@@H]5[C@H]6C=C[C@@H](C6)[C@@H]45)[C@@H]13)[C@@H]1C[C@@H]2[C@H]2[C@H]3C=C[C@@H](C3)[C@H]12 102936124 NCVGHTNYYDKVAM-IXJRPHOWSA-N 344.498 4.210 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N(CC(F)(F)F)c2ccccc2)c1C 117655318 KFRYYIJJGUVCFH-UHFFFAOYSA-N 338.329 4.043 0 40 EIAB CC(C)Oc1ccccc1NC(=O)Cc1cccc(Br)c1 154180218 YVEWJUICMYIQHR-UHFFFAOYSA-N 348.240 4.418 0 40 EIAB Cc1cccc(OCC(=O)NCCOc2ccccc2C(C)C)c1C 223828326 DILBDDSRPSVXCZ-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CC(C)c1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1 224285009 FKYZPSHRUFEISZ-UHFFFAOYSA-N 325.452 4.326 0 40 EIAB COc1cc(C)c(C(=O)Nc2cccc(NC(C)=O)c2)cc1C(C)C 225664734 QHZMQEJTEGHFFI-UHFFFAOYSA-N 340.423 4.338 0 40 EIAB O=C(COc1ccccc1F)N[C@@H](c1ccsc1)c1cccs1 390827104 UCQHBJHTQLRPDI-KRWDZBQOSA-N 347.436 4.233 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 408763886 LCFYRDVBSLFRFU-CPLUKWAASA-N 329.399 4.055 0 40 EIAB O=C(O)[C@H]1CN[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 408979477 QZHKKSSRRKMXLP-OLZOCXBDSA-N 344.219 4.042 0 40 EIAB COc1cccc(F)c1NC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 529064073 JNPAMJVKGODYHR-QWRGUYRKSA-N 340.345 4.018 0 40 EIAB CCc1ccc([C@H](CN[C@@H](C)c2cncnc2C)N(CC)CC)cc1 578247248 PHWSUKXVKIEQJO-KKSFZXQISA-N 340.515 4.081 0 40 EIAB O=C(COC(=O)/C=C/c1cccc2ccccc12)Nc1ccc(F)cc1 148018 MGENKNXKLZBCSQ-MDWZMJQESA-N 349.361 4.174 0 40 EIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)c1 505895 ZRZGCMFVASHPMA-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB Cc1ccc(-c2noc(-c3c(C(F)(F)F)nn(C)c3Cl)n2)cc1 1385385 JQGGLWBKTGUHOS-UHFFFAOYSA-N 342.708 4.118 0 40 EIAB CCCC[C@H](CC)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 2061777 DZOBKGDYCGSMHA-AWEZNQCLSA-N 347.484 4.292 0 40 EIAB CCOc1ccc(Nc2cc(C)nc3c4c(C)cc(C)nc4nn23)cc1 2208300 LTMKBIALZKJSBT-UHFFFAOYSA-N 347.422 4.345 0 40 EIAB CCOc1ccc2c(c1)[C@@H](SCC(=O)O)CC1(CCCCC1)O2 2944860 KDGKBABKPKPYHD-INIZCTEOSA-N 336.453 4.430 0 40 EIAB CCc1cc2c(=O)c(-c3csc(C)n3)c(C)oc2cc1OC(C)=O 3177497 GYNAIQLZEOCHGE-UHFFFAOYSA-N 343.404 4.021 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3192561 HNPZTKSXABCZII-UHFFFAOYSA-N 346.434 4.232 0 40 EIAB CC(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12 3896062 ZODWBVWZFCNLDY-UHFFFAOYSA-N 328.412 4.202 0 40 EIAB Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NC3CCCC3)nc21 4374909 XBFQWDYVALKAOM-UHFFFAOYSA-N 342.834 4.115 0 40 EIAB CSc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 4517686 NHPOQQNTEWCKAD-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1 4994962 XPVMZXXDWURXGZ-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc21 5136349 OIFPKRGKLFEJDD-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1nc2c(s1)CCc1ccccc1-2 5268283 SBEYYDPFEFFAOS-UHFFFAOYSA-N 338.407 4.229 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CCCOc1ccc(C)cc1 5575698 LGBGCMXZSDOTOZ-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB COc1ccccc1CNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 6288740 BJYNPZGEVJQZME-GOSISDBHSA-N 331.843 4.405 0 40 EIAB O=C1O[C@H](C(=O)Nc2ccccc2-c2ccccc2)Cc2ccccc21 6609516 OIHQFWMATNTHNQ-FQEVSTJZSA-N 343.382 4.074 0 40 EIAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccco4)nc3c12 6764385 FINKCQKYLPZKGR-UHFFFAOYSA-N 335.411 4.461 0 40 EIAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 6811310 WNGRTIBLAVAHER-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB O=S(=O)(Nc1c(F)cccc1F)c1cccc(Cl)c1Cl 7405362 WQGHBTCSLVOUKD-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1C1CC1 7618664 HBAKXCQCGNZGEP-UHFFFAOYSA-N 341.480 4.029 0 40 EIAB O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1cccc(Cl)c1 8071242 BXYYUWMRVMMKFY-UHFFFAOYSA-N 342.704 4.093 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 8389570 NFLOEMVYNFYCPG-UHFFFAOYSA-N 347.798 4.071 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 8429549 ZNZYUMSJROFFER-UHFFFAOYSA-N 327.355 4.048 0 40 EIAB CN(C)Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 8726602 PCFHTFUNKQCZAL-UHFFFAOYSA-N 337.448 4.124 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)s3)o2)c(C)c1 10061017 VGCADOICEXSQCH-UHFFFAOYSA-N 347.827 4.250 0 40 EIAB Cc1csc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)n1 11332641 YSSDHGXZLXIBLR-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB CCn1/c(=N\C(=O)c2ccc(OC(C)C)cc2)sc2ccccc21 12180883 UYQHGOXEQPLWOO-FMQUCBEESA-N 340.448 4.251 0 40 EIAB COc1cc(CN(C)Cc2cccc3ncccc23)c(Cl)cc1O 12191746 IONFWQAHZUBWRJ-UHFFFAOYSA-N 342.826 4.234 0 40 EIAB Cc1ccc(C)c(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)c1 12415616 FWLFGEUZSLPINP-UHFFFAOYSA-N 347.509 4.140 0 40 EIAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl 12553159 DZPQCKKIYSLPAB-MEDUHNTESA-N 332.806 4.083 0 40 EIAB CCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 12859842 MUUBGKCEWSVHOR-OAHLLOKOSA-N 340.423 4.140 0 40 EIAB CC(C)(C(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 12865548 CTYMHLZTNCEMLI-UHFFFAOYSA-N 348.402 4.448 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1cccnc1SCC(F)(F)F 12900426 FNJWYKGLBBYTRH-UHFFFAOYSA-N 348.296 4.267 0 40 EIAB O=C(Nc1ccccc1)N1CCCC[C@H]1CCN1CCCCCC1 13721257 RQWKKFZNTQLDCG-IBGZPJMESA-N 329.488 4.339 0 40 EIAB CC(=O)Nc1ccc(OCc2ccc(F)cc2Br)cc1 14276059 SUIPNQCWUATHOG-UHFFFAOYSA-N 338.176 4.126 0 40 EIAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1 15089183 GVBHVXHMUOCZSE-CYBMUJFWSA-N 343.448 4.201 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ccc3nsnc3c2)c1 15841289 KNVXVCXGCNPTBI-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 16437322 ARKAEEBUOVPKKU-SAPNQHFASA-N 348.402 4.196 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(Cl)c1 22558517 PRJSRZURHUEKCH-UHFFFAOYSA-N 327.815 4.199 0 40 EIAB COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCCC2 22673034 ZMQKKQQZOKYKEA-UHFFFAOYSA-N 349.477 4.046 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)c1occc1COc1ccccc1 23135179 WTACRAFSIYFLBM-UHFFFAOYSA-N 340.404 4.445 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 29266690 GQNWKDIXDBPYRV-UHFFFAOYSA-N 348.446 4.054 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)NCCC1=CCCCC1 31868082 DZQHJPBLHPPROH-UHFFFAOYSA-N 327.453 4.134 0 40 EIAB Cc1ccc(-c2ccsc2C(=O)Nn2cnc3ccccc32)cc1 32903964 IUJVZOCVNPTROY-UHFFFAOYSA-N 333.416 4.457 0 40 EIAB CC(C)c1nnc2n1N1C(=CS[C@@H]1c1c[nH]c3ccccc13)S2 36353250 ODCBUFNOPDCCGV-OAHLLOKOSA-N 341.465 4.171 0 40 EIAB Cc1cc2ncn(C[C@H](O)COc3c(C)ccc(C)c3C)c2cc1C 36866442 MPUBRYJCQQDHCV-SFHVURJKSA-N 338.451 4.018 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@H]1CC=CCC1 40024688 NHPGGINZESDPEI-LBPRGKRZSA-N 326.421 4.040 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117430 GZMRUQKGJBIENQ-LJQANCHMSA-N 330.403 4.021 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H](C)SCc2ccccc2)c1 44471328 GBKKRGUJFMBQGC-LBPRGKRZSA-N 346.427 4.045 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c1C 44844946 WYSOMKMZZVZJKU-MRXNPFEDSA-N 345.870 4.473 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 44847677 VWRQPKDALLJQHE-CQSZACIVSA-N 347.842 4.385 0 40 EIAB O=C(c1ccc(-c2nc3ccc(F)cc3s2)cc1)N1CCCC1 59843075 ZZTFAEMHUPIFSA-UHFFFAOYSA-N 326.396 4.338 0 40 EIAB Cn1cc(-c2nc(CSC/C=C/c3ccccc3)cs2)cn1 64612209 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CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3ccn(C)n3)c2)n1 91695750 SPZIFXCLMRYSEX-UHFFFAOYSA-N 346.356 4.234 0 40 EIAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCCCc2ccccc21 95364934 XVVZHFRUVBYEEA-UHFFFAOYSA-N 339.460 4.146 0 40 EIAB CCOCCC1(C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)CCCC1 95418563 HIMDWMIFVJYMKC-UHFFFAOYSA-N 346.471 4.187 0 40 EIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cn3cc(Cl)ccc3n2)C1 101515145 HYYJOSJJVPAYDW-SCLBCKFNSA-N 331.847 4.029 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(N2CC=CC2)CC1 101646283 ANOVETRQWPZQIB-UHFFFAOYSA-N 347.462 4.222 0 40 EIAB O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@@H]2CC[C@@H]4CCCC[C@H]4[C@H]23)C1 104294086 URACDKFMGOHETL-GXUNQHPWSA-N 334.525 4.364 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 218810294 ORMOYUMYMAVJTH-GOSISDBHSA-N 341.451 4.131 0 40 EIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 222236212 FPFRIIVGTRKFAQ-OJXGSEEGSA-N 348.229 4.251 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C(C)C)N21 222704331 OVGICUDSZNVISO-FHLIZLRMSA-N 340.496 4.443 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 222827619 KBCBPIVETUMCQV-QGZVFWFLSA-N 339.435 4.101 0 40 EIAB COc1cccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225099230 HAXPWGDEWAPMGB-GOSISDBHSA-N 328.408 4.067 0 40 EIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225610386 JBVCHYTWWWWVAK-HXUWFJFHSA-N 327.424 4.409 0 40 EIAB O=C(Nc1ccccc1Cl)c1cc2cccc(Cl)c2oc1=O 226039436 VNUPKKSJWVOCHO-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2ccccc21 408713287 RNDCOXBBBCCRQF-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB O=C(Cn1cnc2ccccc21)N[C@H](CC1CCCC1)c1ccccc1 1623575486 ACFPIQGOGCRFRL-HXUWFJFHSA-N 347.462 4.474 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CCCC2 106326 JJNHZZHGEWMOLA-UHFFFAOYSA-N 328.437 4.146 0 40 EIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 411129 GMYAXSQRKXJXNV-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(C)cc3)noc1-2 426651 JNUSJSWPAMOZAB-UHFFFAOYSA-N 334.375 4.010 0 40 EIAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c(C)c1 534039 BFBGBQOUZUPNIM-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB CC(C)=C[C@H]1[C@@H](CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 549838 BGKRMYAOMQFLJM-ZWKOTPCHSA-N 339.483 4.135 0 40 EIAB CC(C)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 1004757 PZKRHDFROJTOHK-ZVQQDINOSA-N 346.474 4.447 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2F)cc1 2616523 VUZPOBQRMXKNAC-UHFFFAOYSA-N 349.789 4.479 0 40 EIAB CCc1ccc(C(=O)COc2ncnc3sc(C)c(C)c23)cc1 2634081 WSNIWXZPFZQWOE-UHFFFAOYSA-N 326.421 4.132 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C(C)=O)cc1 2653869 LSWLZXIDBUOQRJ-AWEZNQCLSA-N 325.408 4.420 0 40 EIAB CCc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 2692775 QFKMMGXTZKTXKD-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB CC(C)(C)c1csc(NC(=O)Cc2c(F)cccc2Cl)n1 3354567 VZBMYVWHXTVVSF-UHFFFAOYSA-N 326.824 4.414 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc2ccccc2c1 3435428 OSYYHBPDEIKXHW-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 3602970 POYUNNZUFFNRPV-INIZCTEOSA-N 338.234 4.467 0 40 EIAB O=C1CCC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 4726508 AHENCLFHHZTCCL-UHFFFAOYSA-N 341.410 4.128 0 40 EIAB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC3)cc1 4769680 RRNOQPUVCPIIEM-UHFFFAOYSA-N 333.478 4.088 0 40 EIAB O=C(CNC1CCCCCC1)NC(c1ccccc1)c1ccccc1 4894465 JNIRWFAYLATOTR-UHFFFAOYSA-N 336.479 4.205 0 40 EIAB CCCCN[C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5615016 VAKGUDWFEDDYTI-IBGZPJMESA-N 349.430 4.497 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 6151754 ODGQAJVBSQWTGQ-UHFFFAOYSA-N 349.333 4.106 0 40 EIAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1F 6461173 YQOBODBXOKTSAY-UHFFFAOYSA-N 349.361 4.340 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCSc2ccccc21 7735769 PIBUMIBQUOJEHE-UHFFFAOYSA-N 347.823 4.211 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F 7968321 LPQOWCFAHJGOGA-MRVPVSSYSA-N 329.705 4.163 0 40 EIAB CCn1cccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 8091025 ZFKJKYMRDLHBLY-GXDHUFHOSA-N 332.812 4.402 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Cl 8492273 NVJGXFZMQIYHMC-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 9061670 MQUBOJOBYKGXFI-UHFFFAOYSA-N 335.407 4.431 0 40 EIAB Cc1ccc(NC(=O)c2cc(Cl)ccn2)c(Br)c1 9479882 LCEDWJWPQAQCPT-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2)cc1 9516564 CKDLYQSFBUOTHA-AWEZNQCLSA-N 346.858 4.342 0 40 EIAB CCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10544502 KZVXNALFSIUZLD-QGZVFWFLSA-N 333.435 4.145 0 40 EIAB c1ccc(CCN2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 12113175 WSPJJMBORWKIRM-UHFFFAOYSA-N 343.474 4.437 0 40 EIAB O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(F)c(F)c1F 12422275 APCCXCUVHNQHPI-UHFFFAOYSA-N 338.310 4.002 0 40 EIAB Cc1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1 12476144 BGZSWNSEDYLNKW-UHFFFAOYSA-N 332.432 4.294 0 40 EIAB COc1ccc(CC(=O)Nc2cccc(OC3CCCC3)c2)cc1 12905389 PWIRJXXTJLYVQK-UHFFFAOYSA-N 325.408 4.198 0 40 EIAB CC(C)c1c(C(=O)NC2CCCC2)cnn1-c1ccc(Cl)cc1 12972629 FSRQYPHHHZUERK-UHFFFAOYSA-N 331.847 4.322 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 14013607 WRNTZIUDMBIJJW-INIZCTEOSA-N 333.815 4.453 0 40 EIAB CC(C)c1ccc(CN(C)CC(=O)N[C@H](C)c2cccs2)cc1 15299593 IVVYTQDZUGFWNA-OAHLLOKOSA-N 330.497 4.181 0 40 EIAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCCCCC3)ncnc21 15880930 AFRYFFSSYHVMRY-UHFFFAOYSA-N 341.846 4.158 0 40 EIAB CC(=O)Nc1ccc(CNCCSc2ccc(Cl)cc2)cc1 17316471 ODWMVSRVKXBRGC-UHFFFAOYSA-N 334.872 4.180 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1cc(Cl)ccc1C 17340648 FQCYUUHALFOTCJ-UHFFFAOYSA-N 327.815 4.199 0 40 EIAB CNC1CCC2(CC1)CN(CC1=CCCCC1)Cc1ccccc1O2 19591983 BTRCVMDRNSTGIH-UHFFFAOYSA-N 340.511 4.282 0 40 EIAB Clc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1 20389976 UTDQCPMNVLEOIN-UHFFFAOYSA-N 343.883 4.272 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 20549833 BDYRFKUOMMXBGG-UHFFFAOYSA-N 340.379 4.098 0 40 EIAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(NC3CC3)s2)c1 22173690 YHSCOMCTTOIANW-LLVKDONJSA-N 333.482 4.093 0 40 EIAB Cc1cc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)c(C)c1 22886069 APEIMTRZEOIMKH-CYBMUJFWSA-N 347.361 4.074 0 40 EIAB COc1c(N)cc(-c2nc3cc(C)ccc3o2)cc1Br 26509113 LEOGRWVIJQBVKV-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB CCCc1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1 33027665 NIILUFVPRMSUPN-UHFFFAOYSA-N 341.436 4.322 0 40 EIAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C\c1cccs1 35647101 LZUIACZUTOLSCX-GHXNOFRVSA-N 338.816 4.432 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@@H](c2ccc(O)cc2)C1 36360837 WGHCJQDBVPGXBJ-OAHLLOKOSA-N 339.782 4.355 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2sccc2C)cc1OC 40042893 CLXLNWZOHDQEQT-AWEZNQCLSA-N 331.437 4.051 0 40 EIAB CC(C)C[C@H](CNC(=O)c1occc1-c1ccccc1)N1CCCC1 40092491 UIKQYTVULNMBIU-GOSISDBHSA-N 340.467 4.187 0 40 EIAB COc1cc([C@@H](C)NC(=O)c2ccoc2)ccc1OC1CCCC1 40121429 XJZCIWJSBXJQRU-CYBMUJFWSA-N 329.396 4.101 0 40 EIAB CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1C 42714063 ANFGVTSZZKHZOS-UHFFFAOYSA-N 325.456 4.491 0 40 EIAB COc1ccc(N(C)C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)cn1 58270241 AWUSQHFVLBGVQG-UHFFFAOYSA-N 338.451 4.082 0 40 EIAB O=C(O)C1=NN(c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)C1 71979043 YMEFJDDWAXNMDN-AWEZNQCLSA-N 335.190 4.385 0 40 EIAB CCc1ccccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1 72282505 PZOPCOOBONOFSM-UHFFFAOYSA-N 339.439 4.484 0 40 EIAB C[C@@H](COCc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 72285825 CMCLYCLMFXIHLM-RDJZCZTQSA-N 344.480 4.050 0 40 EIAB Cn1c(C(=O)N2CCC(c3ccccc3)CC2)cc2cc(F)ccc21 72404160 SDTRHWIFIONZKC-UHFFFAOYSA-N 336.410 4.337 0 40 EIAB CC(C)COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cn1 79049884 KJGTXWIWHNUKGJ-APWZRJJASA-N 338.451 4.135 0 40 EIAB CC[C@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc2cc(OC)ccc2c1 90455300 RPHKIPVTOCSYTP-ICSRJNTNSA-N 335.451 4.170 0 40 EIAB O=C(c1ccnnc1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 95440892 VFKPFCVHXXRHBI-UHFFFAOYSA-N 348.233 4.103 0 40 EIAB CC1(C)Cc2cccc(CNc3ccc(-c4ccccn4)cn3)c2O1 95945589 VSRHRDHBEFZNTL-UHFFFAOYSA-N 331.419 4.469 0 40 EIAB Cc1ccc(CCCCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1C 96013605 VRGXURSHABTVBV-GOSISDBHSA-N 343.433 4.261 0 40 EIAB CCc1nc(C[S@](=O)Cc2csc(C3CCCC3)n2)cs1 96402803 CJQAJYKNANNJJS-OAQYLSRUSA-N 340.539 4.269 0 40 EIAB CCCOc1cccc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 97324296 WCDOQQLKOJZBAC-HNNXBMFYSA-N 344.430 4.074 0 40 EIAB CC(C)Oc1cccc(CNC(=O)c2ccccc2OC(C)C)c1 219737783 SFYORNPAXJDTST-UHFFFAOYSA-N 327.424 4.191 0 40 EIAB CC(C)(C)OC(=O)Nc1c(OC(F)(F)F)cccc1[Si](C)(C)C 219784610 LKJVIXXTDPYKAH-UHFFFAOYSA-N 349.425 4.477 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccco2)cc1 222879372 GUIAXLWPBFKRHJ-GOSISDBHSA-N 347.480 4.049 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 222973621 PICSFONUXFEZBC-ROUUACIJSA-N 342.512 4.237 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1 224220731 FSJMFGXAMNJRGV-CQSZACIVSA-N 343.854 4.303 0 40 EIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 224287519 VKLYTPRZDHGCDI-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(F)cc2F)cc1 225774419 KZKMEKQQCJYTBZ-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB CC(C)Oc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1 225783852 DIMBYEZUODHLHO-HNNXBMFYSA-N 344.480 4.228 0 40 EIAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)nc2C)CCC[C@@H](C)C1 225910979 NTYMPYFEHXZTJD-KUHUBIRLSA-N 334.460 4.103 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c(N)c1 226348157 FWSWPKFWORJSPG-UHFFFAOYSA-N 340.354 4.319 0 40 EIAB CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(C(=O)O)cc1 254678069 MKOWFEMGYHWEKT-UHFFFAOYSA-N 338.432 4.476 0 40 EIAB O=C(CCC(F)(F)F)Nc1ccc(-n2ncc3ccccc32)cc1 537216498 HPJFCBAZBZAJJQ-UHFFFAOYSA-N 333.313 4.307 0 40 EIAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)c(C)o1 575609780 GYNUJHFCHMOVCB-GOSISDBHSA-N 341.432 4.088 0 40 EIAB Oc1cccc(NCCCC(F)(F)C(F)(F)Br)c1 1083811776 OFRVKOLLISQYKA-UHFFFAOYSA-N 330.119 4.207 0 40 EIAB C[C@H](O)[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccc1F 1644392600 KRSPYWRWWFLHQG-BTYIYWSLSA-N 349.405 4.345 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 53050 QWQABDQXMSDRSZ-AAEUAGOBSA-N 342.222 4.003 0 40 EIAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)c1 121723 JMEIASXKFJCQKC-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1OCC 147430 ZSWHYADXWSWTBL-GRNBYLDVSA-N 339.435 4.375 0 40 EIAB Cc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1 186951 LLHKPMXCYCNHRC-UHFFFAOYSA-N 326.399 4.285 0 40 EIAB COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 533446 DFWTZRRIVNVWEW-DLBZAZTESA-N 340.814 4.086 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 568295 JINWJYOZBWPWOY-UHFFFAOYSA-N 346.858 4.443 0 40 EIAB Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 1424857 NCNJBWRSFAGLDB-CYBMUJFWSA-N 341.407 4.318 0 40 EIAB COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1 1683572 GUYTUSFKHTZPST-UHFFFAOYSA-N 329.488 4.269 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc2ccccc2n1 3430734 DVVIEEYVQMNDQN-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB Cc1ccc(CN(CCCOC(C)C)C(=O)Nc2ccccc2)o1 4556356 HYKSNUVEZDABII-UHFFFAOYSA-N 330.428 4.437 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCCC3)c1 6342628 SFZHXKKFPUUGGX-UHFFFAOYSA-N 344.480 4.471 0 40 EIAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCSc2ccccc21 6558758 VCRKSPHKFRDGSN-CYBMUJFWSA-N 331.462 4.064 0 40 EIAB Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc2n1 6623386 PWQMVIPDJLTZNE-UHFFFAOYSA-N 340.448 4.467 0 40 EIAB CCOc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1 6870384 DENKLCGLJSEIIE-UHFFFAOYSA-N 342.464 4.419 0 40 EIAB CCCCn1nnnc1NCc1ccc(-c2cccc(Cl)c2C)o1 7262191 FPQRAAJXWKPSSB-UHFFFAOYSA-N 345.834 4.307 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2c2ncnc3sccc23)c1 7470179 IUSCJWKFNZCTHX-OAHLLOKOSA-N 341.436 4.050 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(OC)c1 8852678 ALQAOXIQJHOGLL-UHFFFAOYSA-N 343.398 4.293 0 40 EIAB CC1CCC(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 9792680 QXGKHLNGHBWQPY-KJXMEXGPSA-N 346.471 4.033 0 40 EIAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc2cccnc12 12890739 VNVBQRIPFAKWGC-UHFFFAOYSA-N 346.308 4.063 0 40 EIAB Cc1ccc(-n2cnn(CN3CCC(C)CC3)c2=S)cc1Cl 13069576 IWIOUMICRUXIOI-UHFFFAOYSA-N 336.892 4.055 0 40 EIAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(Cl)cc1 14136819 CRJAHTDMLHCIHW-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 14255293 JLXIQNXVICPWCG-UHFFFAOYSA-N 337.404 4.045 0 40 EIAB O=C(Nc1ccccc1C(=O)NCCC1=CCCCC1)c1ccco1 17334991 RMMKSFFBYZXQML-UHFFFAOYSA-N 338.407 4.152 0 40 EIAB Cc1nc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2ccccn12 19240668 NQECFMXEILSPFW-INIZCTEOSA-N 341.405 4.301 0 40 EIAB Cn1ccc([C@@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 19291008 IHSPRVZKURKHOO-ILCGBQQYSA-N 341.499 4.080 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccc(OC)cc1 20106661 MZVUCAOHIKTZQA-HXUWFJFHSA-N 341.451 4.128 0 40 EIAB CC1CCN(Cc2csc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)n2)CC1 22291577 GWTBKBBXVPMIIU-ARFHVFGLSA-N 347.528 4.140 0 40 EIAB COc1ccc(CN[C@H](C)c2ccccc2Cl)c(OC)c1OC 22781157 QWBQVNHVNXXLCE-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB COc1cc(OC)c(OC)cc1CNCc1ccc2ccccc2c1 22793431 BCUWOTNVVMAPBF-UHFFFAOYSA-N 337.419 4.155 0 40 EIAB CC(C)(C)C1CCC(C(=O)Oc2ccc(-c3nnco3)cc2)CC1 23006007 DSFBVJZZBHMKSF-UHFFFAOYSA-N 328.412 4.495 0 40 EIAB CC(C)c1cc(NC(=O)CNC(c2ccccc2)c2ccccc2)on1 24219433 PYBMUXXTWMWXMH-UHFFFAOYSA-N 349.434 4.116 0 40 EIAB Cc1ccc(CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 24712539 IQGQAIQRQSPUTI-UHFFFAOYSA-N 329.469 4.466 0 40 EIAB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)no1 24877654 BOQQVEVSDNNIFU-IBGZPJMESA-N 332.359 4.249 0 40 EIAB Cc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)sc1C 26383388 BEJNJZULHSOYJO-SFHVURJKSA-N 345.464 4.263 0 40 EIAB Cc1ccc(OC(=O)CCCc2nc(-c3cccs3)no2)c(C)c1 31694430 QKXFFOVGBDEKMO-UHFFFAOYSA-N 342.420 4.343 0 40 EIAB O=C1c2ccc3ccccc3c2CC[C@H]1[C@H]1NCCc2ccccc21 31938402 FIWNZTBJFYHZIL-VXKWHMMOSA-N 327.427 4.472 0 40 EIAB Cc1cc(C)cc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 32642830 SLDPHSFGUCDNIK-UHFFFAOYSA-N 346.434 4.099 0 40 EIAB CC[C@@H](C(=O)N(CC)Cc1ccc2c(c1)OCCO2)c1ccccc1 32978469 PDOKFOFSPWBKFE-GOSISDBHSA-N 339.435 4.000 0 40 EIAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)OCO4)c2cc1Cl 39892765 KMQPTSOQMYZXKY-UHFFFAOYSA-N 343.766 4.305 0 40 EIAB COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1OC(F)F 40120454 ZGBKBPVTYGYBLY-HNNXBMFYSA-N 347.361 4.056 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 41096824 XYELCZIBTAIUDV-UHFFFAOYSA-N 347.480 4.049 0 40 EIAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccc3ccccc23)[nH]n1 44839240 QCLQEPGMFWQGRT-UHFFFAOYSA-N 345.377 4.299 0 40 EIAB CSc1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)cc1 48308567 XMUCICFMOGTSBY-UHFFFAOYSA-N 339.464 4.014 0 40 EIAB CCOc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)n[nH]2)cc1 51315532 UCMPFLKFECQOFL-AWEZNQCLSA-N 347.418 4.067 0 40 EIAB CC(C)NC1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 65609608 OZVVQHCUWDYCHF-UHFFFAOYSA-N 345.487 4.002 0 40 EIAB CN(Cc1nnc(Cc2ccccc2)o1)Cc1cccc2ccccc12 65610704 RPEFIEWVBYYSLZ-UHFFFAOYSA-N 343.430 4.446 0 40 EIAB O=C(Nc1ccc[nH]c1=O)c1cc2sc3ccccc3c2s1 69416179 YVHQSVJFMLNOBS-UHFFFAOYSA-N 326.402 4.057 0 40 EIAB Cc1ccsc1-c1nnc(SCc2cn3cccc(C)c3n2)o1 69560917 OUIUQVHZHRMSMN-UHFFFAOYSA-N 342.449 4.355 0 40 EIAB O=C(NC(c1cccs1)c1cccs1)[C@@H]1C[C@@H]1c1cccnc1 71915266 AZGHLNJRCXUBQZ-ZIAGYGMSSA-N 340.473 4.214 0 40 EIAB Nc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2F)n1 71977728 QLPBVSMUOWGCOG-UHFFFAOYSA-N 344.187 4.294 0 40 EIAB CC(C)[C@H](C)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 72055408 PNGMEXBGUQZSSX-AWEZNQCLSA-N 343.496 4.477 0 40 EIAB CC(C)n1nccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1 72728831 CRVDYCRXPHRIQY-UHFFFAOYSA-N 346.843 4.493 0 40 EIAB O=C(NCC[C@H](O)c1cccs1)Nc1cccc(C(F)(F)F)c1 77116112 FMUKOOZRMRBXCH-LBPRGKRZSA-N 344.358 4.012 0 40 EIAB C[C@H](NC(=O)CN(C#N)c1ccccc1)c1ccc2ccccc2c1 79055877 HKPBJICDEDFBJW-INIZCTEOSA-N 329.403 4.005 0 40 EIAB CCOC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 85398403 BSPQFTWRPNXPMH-UHFFFAOYSA-N 345.196 4.169 0 40 EIAB COc1ccc(SCC2CCN(C(=O)c3cccs3)CC2)cc1 85472338 MRYVNVKCKUWFLH-UHFFFAOYSA-N 347.505 4.401 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cc(Cl)cn2C)c1 89905240 XRIHOWNTCCPHGU-GFCCVEGCSA-N 335.835 4.050 0 40 EIAB CC(C)Cn1ncc(C(=O)Nc2ccc3ncccc3c2)c1C1CC1 92217412 XJSBURTZTSUBMH-UHFFFAOYSA-N 334.423 4.217 0 40 EIAB CC1=CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4CO3)c3cccc1c32 95115712 GOYQVEVXSLQGII-OAQYLSRUSA-N 332.403 4.024 0 40 EIAB Cc1ccccc1-c1nc(C[S@@](=O)[C@@H](C)c2ccc(F)cc2)no1 96471488 CVISHJYCBKGXMF-RZFZLAGVSA-N 344.411 4.194 0 40 EIAB O=C(OCCOc1ccccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 97496412 WPHDVBLOLCBWEU-NEPJUHHUSA-N 334.309 4.116 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)CC2=O 100190185 GYENTNGSTLNTHQ-IRXDYDNUSA-N 339.357 4.429 0 40 EIAB O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@@H]2CC[C@H]4CCCC[C@@H]4[C@H]23)C1 104294100 URACDKFMGOHETL-JZCOGDJRSA-N 334.525 4.364 0 40 EIAB O[C@@H](COc1cccc2ccccc12)CN1CC[C@H](c2ccccc2)C1 107347165 OWLWGTWFFKUJNX-LEWJYISDSA-N 347.458 4.069 0 40 EIAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107493889 IRKQIWIKQRNWIM-GMXVVIOVSA-N 340.345 4.039 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc(C)cc1 113960769 GNECPGXTRVJTDG-ZWKOTPCHSA-N 341.451 4.429 0 40 EIAB CCOCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 130338729 RIWNINDOSVAIHD-UHFFFAOYSA-N 340.798 4.072 0 40 EIAB CCSc1ccccc1C(=O)N[C@@H](C)COc1ccc(C)cc1 219649304 GSJMQGYQNOBGOM-HNNXBMFYSA-N 329.465 4.304 0 40 EIAB CC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 223076077 JZQHFUGBTXNLJQ-FQEVSTJZSA-N 343.492 4.136 0 40 EIAB Cc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 223980842 JWKQBYGONXVINP-UHFFFAOYSA-N 343.471 4.328 0 40 EIAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COC(C)C 224713355 DXMIPGPOPYHYNS-UHFFFAOYSA-N 333.472 4.463 0 40 EIAB Cc1nc(-c2cccc(NC(=S)NCc3cccnc3)c2)cs1 225180237 WSHVVFAZKZMGPX-UHFFFAOYSA-N 340.477 4.000 0 40 EIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4F)OCC[C@@]31C2 257227344 FOWHBYNNSLOXCP-HSZHVBGHSA-N 345.458 4.234 0 40 EIAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(CC2CC2)C1 257242526 ICYUFKKSBBULQQ-FQEVSTJZSA-N 328.431 4.168 0 40 EIAB Cc1ccc(CSCC(=O)N[C@H](C)CCc2ccccc2)cc1 408577341 ZHRZFAJOZMEVPV-QGZVFWFLSA-N 327.493 4.366 0 40 EIAB OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2OCCC[C@H]12 601008689 RROYEMKQPPGUAQ-AKWBHNSASA-N 330.255 4.418 0 40 EIAB c1ccc2oc(-c3nnc4n3CCCC[C@@H]4C3CCOCC3)cc2c1 1616038519 OOEMSHBBUVYMEX-MRXNPFEDSA-N 337.423 4.385 0 40 EIAB CNC(=O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 49565 CYBYQULEGXMUPV-UHFFFAOYSA-N 342.483 4.154 0 40 EIAB Cc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C 483843 BPZHAZUUHVNVAN-UHFFFAOYSA-N 331.437 4.491 0 40 EIAB CC(C)c1nc(SCC(=O)N2CCCC[C@H]2C)c2ccccc2n1 1342881 UBAJZYFXHPDGMA-CQSZACIVSA-N 343.496 4.246 0 40 EIAB Cc1c([C@H](C)OC(=O)Nc2cccc(Cl)c2)sc2ncnn12 1404964 WZEXJASVGJIFHC-VIFPVBQESA-N 336.804 4.062 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CCc1c[nH]c2ccccc12 2618109 JRHSDWZPZWCKQK-UHFFFAOYSA-N 328.799 4.401 0 40 EIAB C[C@H](NCc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 3284441 UZAQKDSLSVVUPR-VIFPVBQESA-N 329.252 4.172 0 40 EIAB COc1ccc(Nc2nc(C)nc3sc4c(c23)CCC4)cc1OC 3333316 RXPOWVIBJCTXFT-UHFFFAOYSA-N 341.436 4.249 0 40 EIAB O=C(O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(O)cc1 4226198 HYPTUCMTUGNONW-UHFFFAOYSA-N 348.280 4.401 0 40 EIAB C=C=Cn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 5234784 LFKFCSQZTORGME-KRWDZBQOSA-N 343.430 4.429 0 40 EIAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc(C(F)(F)F)cc1 5399501 WPCLEAZZDCDFNV-UHFFFAOYSA-N 348.299 4.117 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1Cc1ccccc1 6647892 LWFDYLDXMMIJFX-UHFFFAOYSA-N 335.432 4.259 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 6800790 HIZBUBKZHVGQOP-UHFFFAOYSA-N 345.342 4.003 0 40 EIAB CCc1cc2c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)ncnc2s1 8394800 FQJQYDOCFNTAKD-SMDDNHRTSA-N 349.525 4.041 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 8478636 KDEDWMITRTWFEK-OAHLLOKOSA-N 327.424 4.444 0 40 EIAB c1coc(-c2cc(CSc3nc(-c4cccs4)n[nH]3)no2)c1 8528166 QQLWZTMJPUEKMC-UHFFFAOYSA-N 330.394 4.074 0 40 EIAB COc1ccc(-c2noc(-c3ccc(NC(=O)C(C)C)cc3)n2)cc1 8559109 QXLSXRAPHBTSLR-UHFFFAOYSA-N 337.379 4.007 0 40 EIAB Cc1cc(C)cc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c1 8769804 USSVOSQWSLFQGI-UHFFFAOYSA-N 337.448 4.424 0 40 EIAB Cc1cc(Nc2ccc(C)c(C)c2)n2nc(-c3ccccc3)nc2n1 9185299 DTBJDSLMLVGHAL-UHFFFAOYSA-N 329.407 4.460 0 40 EIAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cnccn1 12097916 IGWIRAFYOQSIOC-UHFFFAOYSA-N 333.435 4.197 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N(C)C)cc1 12554192 XDKWBZSMUBMLCJ-UHFFFAOYSA-N 331.419 4.375 0 40 EIAB COc1cc(C)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 12931102 XPZPBDREKQPXTJ-CQSZACIVSA-N 339.391 4.006 0 40 EIAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)cc1 13931713 FFGQIQAHHNFBJT-HNNXBMFYSA-N 328.437 4.161 0 40 EIAB Cc1cccc(-c2nc(C)c(CCNC(=O)c3ccccc3)s2)c1 17135515 ZMBVBWGRZKIJGP-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17296748 PABWYYBFFHTZRL-UHFFFAOYSA-N 348.385 4.130 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccccc1Cl 20451324 JBPFRKRGSRRQQG-INIZCTEOSA-N 347.842 4.213 0 40 EIAB Cc1nc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2nc1C 22282676 QGHGASOSFKHXFP-UHFFFAOYSA-N 345.446 4.098 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)SCc2ccccc2)c1 22533048 BOULHVNJHYPILQ-OAHLLOKOSA-N 329.465 4.023 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1ccccc1C(C)(C)C 23530625 BVZKRKOKALEQMT-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB CCc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)sc1C 23981377 WKDOSCVFEXZHEX-MRXNPFEDSA-N 346.496 4.169 0 40 EIAB C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(-n2cncn2)cc1 26314659 LVKUEJBSVINMKM-GFCCVEGCSA-N 347.249 4.425 0 40 EIAB O=C1c2ccc3ccccc3c2CC[C@@H]1[C@@H]1NCCc2ccccc21 31938397 FIWNZTBJFYHZIL-FGZHOGPDSA-N 327.427 4.472 0 40 EIAB CCOC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(C)cc2)cs1 32616123 MXLFWRLNUGAYSG-UHFFFAOYSA-N 342.424 4.181 0 40 EIAB CCSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 38695940 JHIDFKZMFZAACM-UHFFFAOYSA-N 340.448 4.178 0 40 EIAB Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1N1CCCC1=O 38697210 MVPXREBOGOFPKR-UHFFFAOYSA-N 343.814 4.419 0 40 EIAB Cc1nc(CSCCC(=O)Nc2cccc3ncccc23)cs1 40069578 CKYKOSHEUALGNF-UHFFFAOYSA-N 343.477 4.262 0 40 EIAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 44848323 PQWLWFFFOAJEQR-KXBFYZLASA-N 329.415 4.497 0 40 EIAB C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1 47906681 TXIYQVWRVMIJLN-SECBINFHSA-N 342.292 4.449 0 40 EIAB CCOC(=O)c1cc2cc(NC(=O)OCC(F)(F)F)ccc2s1 48326078 OHAMEARLIIVVLM-UHFFFAOYSA-N 347.314 4.189 0 40 EIAB O=C(CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)N1CCCCC1 48332851 WZBQICWUMITONN-INIZCTEOSA-N 341.282 4.143 0 40 EIAB Fc1ccc2[nH]c([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)nc2c1 49169009 UHRVBZWUBQZZKL-ZDUSSCGKSA-N 334.398 4.173 0 40 EIAB biogenic,in-vitro O=c1sc2c(n1Cc1csc(C3CCCCC3)n1)CCCC2 69529705 BXJKBDCXDDVNDB-UHFFFAOYSA-N 334.510 4.341 0 40 EIAB CC(C)Cc1nnc([C@H](C)N(C)Cc2nc3ccccc3s2)o1 69657669 MVLOBBVJMVBFEP-LBPRGKRZSA-N 330.457 4.071 0 40 EIAB COCc1ccc(C(=O)Nc2scnc2-c2ccc(F)cc2)cc1 69696384 TUNQGTOTOOZDHY-UHFFFAOYSA-N 342.395 4.348 0 40 EIAB CCCC1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 72193658 APMZNTQUCHYISM-UHFFFAOYSA-N 330.472 4.068 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](O)(C(C)(C)C)C(F)(F)F 72208726 KIDZDHFKDMCSRI-XHDPSFHLSA-N 339.398 4.116 0 40 EIAB CC(=O)Nc1cccc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)c1C 72291991 CXKPIDUGFRNEDO-NSHDSACASA-N 345.468 4.076 0 40 EIAB O=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1 72303696 UBORIIIYXWULCE-HNNXBMFYSA-N 349.228 4.098 0 40 EIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C(C)C)C1CCC1 78184540 WRVQKYZZKDDUEM-UHFFFAOYSA-N 346.452 4.305 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc2[nH]ncc2c1 84016843 YRJFEXXCSSYRRC-UHFFFAOYSA-N 335.386 4.117 0 40 EIAB Cc1cc([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)c(C)s1 95420601 WXPQCUQOTUIGKA-CYBMUJFWSA-N 326.469 4.105 0 40 EIAB CC(C)n1ccc2cc(C(=O)NCCc3nc4ccccc4[nH]3)ccc21 96223732 KTAMQIRUGPGTLS-UHFFFAOYSA-N 346.434 4.071 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@H]1c3ccccc3OC[C@@]1(C)CO2 96306227 SYRZSOPNMJQENZ-CTNGQTDRSA-N 332.403 4.104 0 40 EIAB C[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 96484918 IPNDSAQBGIQIQT-QWRGUYRKSA-N 347.352 4.084 0 40 EIAB COc1ccc(-c2csc(C3=C(O)CN(CC(C)C)C3=N)n2)cc1 102733287 KVEPTQZOPSVJHE-UHFFFAOYSA-N 343.452 4.037 0 40 EIAB CSC[C@@H](C)N(C)Cc1cccc(CN(C)[C@H](C)CSC)c1 106914397 QTDYXQVFJCIBQA-HZPDHXFCSA-N 340.602 4.053 0 40 EIAB CN(c1nc(Cl)nc(Nc2cccc(F)c2)n1)C1CCCCC1 199800833 PGCLADYRYBQEGQ-UHFFFAOYSA-N 335.814 4.177 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1C[C@H](C)C[C@@H](C)C1 216866836 IKYLGVJUUVKRAF-HUUCEWRRSA-N 337.467 4.312 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1)CC(C)(C)O2 219489455 UMHHVOCKBHNIJK-CRAIPNDOSA-N 339.435 4.181 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3CC)N21 222718724 AJVIWDBHCLEBAW-BMGDILEWSA-N 340.496 4.191 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Oc1ccc(C)c(C)c1)C(=O)O 225121156 MHLHBUIMJXVOAP-QGZVFWFLSA-N 334.799 4.040 0 40 EIAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225359045 ILBGSFWESZGAJU-UHFFFAOYSA-N 325.408 4.353 0 40 EIAB CSc1ccccc1NC(=O)c1snnc1-c1cccs1 225790387 AXXHAAPTSUEMNO-UHFFFAOYSA-N 333.463 4.241 0 40 EIAB CCC[C@H](C)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225829882 WPFRBSLJWGZAGC-AWEZNQCLSA-N 337.423 4.127 0 40 EIAB CCCCOc1ccc(NC(=O)C(C)(C)OCC)c2cccnc12 225892657 ZEETYVZOCKMNLV-UHFFFAOYSA-N 330.428 4.167 0 40 EIAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2cnc(C3CC3)nc2)o1 514776726 HBHYZDJRYNETSX-KRWDZBQOSA-N 339.439 4.267 0 40 EIAB C[C@@H]1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)[C@@H]1CO 561689502 QAVZJPFEWMMZFK-RFAUZJTJSA-N 326.774 4.033 0 40 EIAB Clc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)cc1 425610 AFXMEJKYKOQKHY-UHFFFAOYSA-N 327.819 4.214 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Br)c(C)c2)c1C 429443 ZJFHJDVOJUZCNV-UHFFFAOYSA-N 349.228 4.157 0 40 EIAB CC(C)Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 572333 QSSIKWICFNUCSA-INIZCTEOSA-N 333.435 4.213 0 40 EIAB COc1cc2c(cc1OCc1ccccc1)C(CC(C)C)=[N+](C)CC2 1656172 VNAFFMNLTRQXGH-UHFFFAOYSA-N 338.471 4.308 0 40 EIAB Cc1cc(C)c2c(n1)nn1c(Nc3ccc(N(C)C)cc3)cc(C)nc21 2348426 CTNROCVUOFWWQU-UHFFFAOYSA-N 346.438 4.012 0 40 EIAB CC(=O)[C@H]1C[C@H](CC(=O)Nc2ccc(Br)cc2)C1(C)C 3172129 SRWPMVQYSMVHQE-BXUZGUMPSA-N 338.245 4.029 0 40 EIAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(F)c(F)c1F 3187851 MRALMAXQOYLXPU-QHHAFSJGSA-N 346.102 4.111 0 40 EIAB CCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1F 3290367 PFIHBMMLWMNQAM-UHFFFAOYSA-N 334.347 4.056 0 40 EIAB COc1cccc(C(O)(c2cccc(C)c2)c2cccc(OC)c2)c1 4255582 BLAQVLXXHLPVBC-UHFFFAOYSA-N 334.415 4.296 0 40 EIAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 4305119 VUKGXDXUOZUXQE-HXUWFJFHSA-N 346.430 4.122 0 40 EIAB Cc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)s1 4555329 OUCDBOWNMSMXBO-HNNXBMFYSA-N 347.509 4.313 0 40 EIAB Cc1noc(C)c1CSc1nnc(-c2ccccc2F)n1C1CC1 4596925 SGWXSEFFPUHHQX-UHFFFAOYSA-N 344.415 4.316 0 40 EIAB CCOc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 4742731 AVJHUCZIOBUUFZ-UHFFFAOYSA-N 327.405 4.039 0 40 EIAB O=C(CSc1ncnc2c1oc1ccccc12)c1ccc(F)cc1 5218826 FNJDUDRIJAQBRS-UHFFFAOYSA-N 338.363 4.490 0 40 EIAB COc1cc(OC)cc(-c2nnc(SCc3ccc(C)cc3)o2)c1 5435349 HWFRRWVFDHWYKQ-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB CCc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 5478117 CAZUCKMBCNQLBA-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)cc1OC 6018694 PFOARMALXZGCHY-UHFFFAOYSA-N 342.391 4.051 0 40 EIAB biogenic,in-vitro Cc1cc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1Br 6332781 IVDFAQJGBZGLFB-WDMOLILDSA-N 339.302 4.233 0 40 EIAB c1ccc2sc(CSc3nnc4[nH]c5ccccc5n34)nc2c1 6506961 WJGOHINRJNKKKL-UHFFFAOYSA-N 337.433 4.113 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ccc(Br)cc2F)c1 6761668 VDXBPOWIAUVKFU-UHFFFAOYSA-N 336.160 4.043 0 40 EIAB O=c1c(SCc2cccc(Cl)c2)nccn1-c1ccccc1 6915156 XUZQQKQSZOIXOG-UHFFFAOYSA-N 328.824 4.178 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)c1 8234174 WXRVFYZMBFONQX-CYBMUJFWSA-N 339.420 4.164 0 40 EIAB O=C(CC[C@](O)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 8642393 QYPUBGAJWJVFES-HSZRJFAPSA-N 344.410 4.420 0 40 EIAB CSc1ccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 12039838 AQWFPPMGULKWIO-UHFFFAOYSA-N 331.485 4.059 0 40 EIAB CCCCC(=O)Oc1ccc2cc(-c3csc(C)n3)c(=O)oc2c1 12322167 KRPDVRNMIPHQHQ-UHFFFAOYSA-N 343.404 4.321 0 40 EIAB CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1 12627556 GJYOIVXSJGFSNZ-MRXNPFEDSA-N 345.805 4.483 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12761308 HJEKIHWUYZBPMJ-MRXNPFEDSA-N 343.810 4.089 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1Cl 12905558 MFFZYJHUTZUGKO-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1CCc1ccccc1 13637353 IIUURTXOLCBRST-UHFFFAOYSA-N 344.389 4.445 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1Cl 14125223 DBQCPIHRTPVFPN-XJKSGUPXSA-N 334.847 4.475 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 14737971 AVVDJBYGRLMUQZ-SIHNGCNOSA-N 327.468 4.095 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 14790008 ADJOLGXJPDUXDG-CYBMUJFWSA-N 337.341 4.098 0 40 EIAB O=C(CSc1ccccc1)Nc1ccc(N2CCCCC2)cc1 15326584 ONUJWMGFMOHUML-UHFFFAOYSA-N 326.465 4.408 0 40 EIAB c1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)o2)cc1 16626148 CCUFZBWSRAMYCS-UHFFFAOYSA-N 334.404 4.215 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 16643926 NSFADKJLCQIRCH-UHFFFAOYSA-N 348.855 4.170 0 40 EIAB Cc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc1C 19213947 WQMOLPCGCDZGTG-UHFFFAOYSA-N 348.450 4.128 0 40 EIAB CCCn1nc(C)c(-c2cncn2[C@H](CC)CN2CCCCC2)c1C 19654600 XDPRNGCYVGPDHJ-GOSISDBHSA-N 343.519 4.210 0 40 EIAB COc1ccc(CCN2COc3cc(C)c(Cl)c(C)c3C2)cc1 19848815 IIYXSLXOXJHZMU-UHFFFAOYSA-N 331.843 4.360 0 40 EIAB COc1cc(NC(=O)c2cccc(C)c2)ccc1-c1ccc(CO)o1 20137480 CLJKVOIIMXLPOH-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCCC1 22245670 ZOYWIAQZJYSXQT-UHFFFAOYSA-N 333.432 4.397 0 40 EIAB CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 25122806 SMPWCUOVEUNXDP-UHFFFAOYSA-N 325.799 4.397 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1 28244634 AUEANFUWOCRLLF-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB Cc1cc(-c2cc(C(=O)OC(C)C)c3c(C)noc3n2)c(C)s1 28478297 XBBHJHRLXAUJIY-UHFFFAOYSA-N 330.409 4.442 0 40 EIAB Cc1ccc(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 32768055 PNGHTUMDJJDZCJ-UHFFFAOYSA-N 342.782 4.237 0 40 EIAB Cc1cc(C)cc(OCCN(C)Cc2coc(-c3ccccc3)n2)c1 32806082 GMYFUCZZASJPCY-UHFFFAOYSA-N 336.435 4.469 0 40 EIAB COc1ccccc1-n1c(SCc2ccncc2)nc2cccnc21 35289493 FJQJGOKCGUIXJG-UHFFFAOYSA-N 348.431 4.116 0 40 EIAB O=C(/C=C/c1cccs1)OCc1cc(-c2ccc(F)cc2F)on1 38767322 DVIPMZCKMPCFMG-GQCTYLIASA-N 347.342 4.438 0 40 EIAB O=C(Nc1ccc(F)c(F)c1F)c1cc(F)cc(Br)c1 40128440 CCOUOHMYFGQXJR-UHFFFAOYSA-N 348.093 4.258 0 40 EIAB CCOCc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 42227119 PUEHKUPWZJDFHX-UHFFFAOYSA-N 339.414 4.042 0 40 EIAB COCc1ccccc1NC(=O)c1occc1COc1ccccc1 44549921 ASUXXKXIEQLBOO-UHFFFAOYSA-N 337.375 4.257 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)c(OC)c1 44848093 PPRXZHGBXGDDKW-AWEZNQCLSA-N 349.814 4.153 0 40 EIAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 45679955 RQAROPBHBJPITN-JOCHJYFZSA-N 348.490 4.432 0 40 EIAB c1ccc(Cc2noc(CN3CCC[C@@H]3c3ccsc3)n2)cc1 46088208 NSVJYVAYFBQGHJ-MRXNPFEDSA-N 325.437 4.059 0 40 EIAB Cc1ccsc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 48242072 KGBRFJMYCXKJQR-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc2c(c1)OCO2 58365278 SMSFISZEMLRJOF-UHFFFAOYSA-N 338.407 4.412 0 40 EIAB CCC(C)(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C 65411616 DMMQNJUVVSTWBY-UHFFFAOYSA-N 336.432 4.088 0 40 EIAB CNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 65478270 IRPGTMHVXBQSGK-VAWYXSNFSA-N 343.386 4.045 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N(C)Cc3ccco3)cc2)n1 69918242 OPJMTWKXHTZQIX-UHFFFAOYSA-N 327.409 4.375 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1 71760706 MBUZEMBQMAJYFC-UHFFFAOYSA-N 328.437 4.406 0 40 EIAB CN(Cc1ccco1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 71857109 AKJXGACEDQYTRC-UHFFFAOYSA-N 345.399 4.291 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2CC2)c(C(F)(F)F)c1 71857418 YAVYKMXUCUFWCT-UHFFFAOYSA-N 344.333 4.401 0 40 EIAB C[C@@H](NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccc(F)cc1 72328869 YAGNBUXREXFJQG-LLVKDONJSA-N 343.789 4.360 0 40 EIAB Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4cc[nH]c4c3)c2)n1 72404520 QNQNINNYJLXIMV-UHFFFAOYSA-N 330.391 4.223 0 40 EIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1 72747857 AXKXHPIBNWDLGM-BJMVGYQFSA-N 346.352 4.305 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F 73982727 CSVFTAMZPPWASV-LLVKDONJSA-N 342.374 4.104 0 40 EIAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@@H]1CC1CCCCC1 75126257 CVWUASITCNZPFM-MRXNPFEDSA-N 325.456 4.067 0 40 EIAB Cc1ccc(-c2nsc(NC(=O)c3cc(F)ccc3F)n2)cc1 82087265 KWEBSYSRUHSDQM-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB CCc1c(C(=O)Nc2ccc(-c3ccccc3)cn2)[nH]c(C)c1C(C)=O 95367579 IKGKPHALSISHKU-UHFFFAOYSA-N 347.418 4.402 0 40 EIAB CC(C)(C)c1cnc([S@@](=O)Cc2ncc(-c3ccccc3)o2)s1 95413807 CZVJLJUGVLOTOO-HSZRJFAPSA-N 346.477 4.403 0 40 EIAB Cc1ccc(C(=O)Nc2cc(-c3c(F)cccc3F)no2)cc1F 95448259 IEVWQCCQZUMBBG-UHFFFAOYSA-N 332.281 4.320 0 40 EIAB CC[C@H](C)CN(C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 95958293 UBDGCTWKKUVZPP-ZDUSSCGKSA-N 329.400 4.042 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCc3ccccc3F)nnc12 100265517 WBAULZQHPJPEKM-SGTLLEGYSA-N 329.444 4.478 0 40 EIAB C[C@H](NC(=O)CCc1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102221283 JZXITSBQMHMWES-ZQDZILKHSA-N 328.481 4.170 0 40 EIAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C1CCCC1 102721088 RCNFJPHKEKTITD-UHFFFAOYSA-N 325.437 4.315 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)c1 103683151 APDPTEZNIIDUGX-XPGWFJOJSA-N 347.414 4.489 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 113970244 UVVFHJXJEKOWRO-IBGZPJMESA-N 341.451 4.176 0 40 EIAB CCC[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 191197849 ISPHZOSQQGYCCD-QGZVFWFLSA-N 332.469 4.077 0 40 EIAB COc1ccc(-c2nc3cc(OC)cc(Br)c3[nH]2)cc1 216916663 ZOFHEZRMSLCJNZ-UHFFFAOYSA-N 333.185 4.010 0 40 EIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1C 223444845 QTOVZAZBDXZLDQ-KRWDZBQOSA-N 331.481 4.101 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C 223500007 MCHDCGJKWCZDDJ-SFHVURJKSA-N 347.462 4.348 0 40 EIAB Cc1nc(NC(=S)NC2CCCC2)c(Cl)cc1Br 224033173 AVSIPCOHAIYABY-UHFFFAOYSA-N 348.697 4.035 0 40 EIAB Cc1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1Cl 224172125 WTIZTHJHBKWFAB-UHFFFAOYSA-N 329.783 4.203 0 40 EIAB O=C(CCSCc1ccccc1)NCCOc1ccc(Cl)cc1 224277423 DTDWGNNZGYVISQ-UHFFFAOYSA-N 349.883 4.159 0 40 EIAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225565793 GLNDCGDIOXBHPK-UHFFFAOYSA-N 339.435 4.081 0 40 EIAB CCOc1ccc(NC(=S)NCCCN2CCCC[C@@H]2CC)cc1 225581006 FMFKGDVBHGHQFY-KRWDZBQOSA-N 349.544 4.026 0 40 EIAB CCN(Cc1ccccn1)c1ccc([S@](=N)(=O)C(F)(F)F)cc1 585092706 JSXJCTFYHBEQNC-QHCPKHFHSA-N 343.374 4.034 0 40 EIAB CC1(C)CC(NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)N1 178497 LRBSJNXQSWXUMT-UHFFFAOYSA-N 329.271 4.032 0 40 EIAB Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 422674 HNZVPIWVOPQWPL-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB Cc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1 1255885 LGCCTRUFSUQBLC-UHFFFAOYSA-N 333.317 4.107 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)c2c(C)cc(C)nc2OCC(C)C)c1 1401774 HJYWPZAQCRZCSS-UHFFFAOYSA-N 347.480 4.183 0 40 EIAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)CN5CCCC5)(C4)C2)C3)cc1 1506831 FFAIDMIJFPVFBB-MGAZVUHYSA-N 337.507 4.498 0 40 EIAB C[C@H](Cc1ccc2c(c1)OCO2)[C@H](C)Cc1ccc2c(c1)OCO2 1564825 QEFJURUMSHPMTC-ZIAGYGMSSA-N 326.392 4.201 0 40 EIAB biogenic,in-vitro O=C(CN1CCCc2ccccc21)Nc1c(Cl)cccc1Cl 2630470 RULFVGFQGHVRFW-UHFFFAOYSA-N 335.234 4.385 0 40 EIAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCc2ccccc21 3323505 MONRFQUCCZUTLC-LLVKDONJSA-N 335.234 4.383 0 40 EIAB Cc1cccc(C2=N/C(=C\c3ccc(Br)s3)C(=O)O2)c1 4471184 FFPMOGQOPKUHAT-WQLSENKSSA-N 348.221 4.164 0 40 EIAB CCc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 5516265 LFVULAPAFQTXRP-UHFFFAOYSA-N 347.414 4.201 0 40 EIAB CCOc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 5568992 LXGYKYLBYLYUKR-UHFFFAOYSA-N 341.436 4.013 0 40 EIAB CCCCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1 5807081 AEAUWPHSUNAFFA-UHFFFAOYSA-N 337.427 4.071 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 6386504 JVRPLJQYYLEAKS-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB Cc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1 6786207 QIKYMFOOYVAGPC-UHFFFAOYSA-N 328.441 4.121 0 40 EIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C)cc1)CO3 6900574 KKYCBCKEJUKVDK-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1F 7263883 NSVHZBXZOGDDMC-UHFFFAOYSA-N 327.277 4.170 0 40 EIAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c(F)cccc12 7717922 FEVXFWVNOQVLNT-UHFFFAOYSA-N 336.366 4.334 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2F)c1 7968835 GRJBWCWUWBOQAB-UHFFFAOYSA-N 336.160 4.043 0 40 EIAB Cc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)sc1C 7996124 VVSIQQMIUAUGBN-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 8558643 UVJZQELPOCITFV-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccccc1 8708044 GLCKOMXNYWYKKG-SNVBAGLBSA-N 326.343 4.220 0 40 EIAB Cn1c(=O)c(-c2nc3ccccc3[nH]2)c(Cl)c2cc(Cl)ccc21 8715804 PQKVRQRLTDRAKY-UHFFFAOYSA-N 344.201 4.389 0 40 EIAB Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccsc3)no2)C(C)C)cc1 8986365 ZXBAATKQRKZKDM-OAHLLOKOSA-N 341.436 4.234 0 40 EIAB Cc1nc2ccc(NC(=O)c3cncn3-c3ccccc3)cc2s1 10556500 HGNCVCVZIZOTOK-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB CCCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C 11565969 RGVIXIGNHVCCNF-UHFFFAOYSA-N 339.501 4.175 0 40 EIAB CC(=O)Nc1c(C)cccc1C(=O)OCc1c(F)cccc1Cl 11810966 FXOHGRILSJTJHL-UHFFFAOYSA-N 335.762 4.103 0 40 EIAB O=C(CCC(=O)c1cccs1)OCc1cc(-c2ccccc2)no1 12774848 UFQUCMQQUAVIOG-UHFFFAOYSA-N 341.388 4.109 0 40 EIAB COc1cccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 12856757 CAFZXEVYKBNFDA-OAHLLOKOSA-N 333.840 4.316 0 40 EIAB Cc1cc(OCc2nnc(S)n2Cc2ccccc2)ccc1Cl 13426529 MMUDNTQFHBQCHQ-UHFFFAOYSA-N 345.855 4.156 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 20035656 GCMGWYOICAIORL-PMACEKPBSA-N 341.451 4.429 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSc1ccccc1 20038564 CCMCCHLQVPDKJN-GOSISDBHSA-N 329.465 4.061 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 20495325 ZUASIRYLTMTPJD-KXBFYZLASA-N 329.415 4.477 0 40 EIAB COc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12 20745106 GHCWTHSCGIOMJI-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1nc2ccccc2o1 23764685 MEZLKCNIPXLNTC-BZYZDCJZSA-N 342.345 4.339 0 40 EIAB Cc1cc(C)c2cc(C(=O)Nc3ccc(N4CCCC4)cn3)[nH]c2c1 25665158 IBAUZQVOSBIIPO-UHFFFAOYSA-N 334.423 4.032 0 40 EIAB COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1nnc(-c2ccccc2)o1 25692644 NPEUOOJCDCSIKQ-HUUCEWRRSA-N 337.423 4.465 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2ncccn2)c1 28106584 DNHPOBQZCGQJBC-UHFFFAOYSA-N 342.761 4.265 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCC/C(=N/O)c1ccccc1 30795176 GZFGTCILHQXMOF-FLFQWRMESA-N 346.430 4.157 0 40 EIAB C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccc2c(c1)OCCO2 32784670 WDUYYIOBOVFEBT-AWEZNQCLSA-N 349.386 4.209 0 40 EIAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccccc1Cc1ccccc1 33117427 APBXWKJYYIALJK-FQEVSTJZSA-N 343.426 4.011 0 40 EIAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N(CC)CC 34925902 KVFYZXNHYSDLPG-UHFFFAOYSA-N 340.345 4.277 0 40 EIAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccccc1Cl 38940031 ORLRMTVXXKGMGX-UHFFFAOYSA-N 344.842 4.210 0 40 EIAB C[C@@H](NC(=O)Cc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 40025777 HXUFUEVLORFAIQ-LRYXAPPNSA-N 348.490 4.498 0 40 EIAB Cc1nc(CSCCC(=O)N[C@H](C)c2cccc(F)c2)cs1 40069632 XEGQZMGRJBMHLV-LLVKDONJSA-N 338.473 4.091 0 40 EIAB Cc1ccc(CN(C(=O)Nc2cn[nH]c2)[C@@H]2CCc3ccccc32)cc1 58005821 GAILYJUSDFYBEC-HXUWFJFHSA-N 346.434 4.440 0 40 EIAB CCCCS[C@H](C)C(=O)Nc1ccccc1NC(=O)N1CCCC1 58230529 OHWBICNSZXNLBI-CQSZACIVSA-N 349.500 4.175 0 40 EIAB CN(CCc1ccccn1)c1ncnc2scc(-c3ccccc3)c12 58365849 UKTZMMMNHZIZDY-UHFFFAOYSA-N 346.459 4.432 0 40 EIAB Cc1nc(NCCc2ccccc2)sc1C(=O)NC1CCCCC1 71326466 WSNBCNJJCCIYDG-UHFFFAOYSA-N 343.496 4.169 0 40 EIAB Cc1cc(C)n(-c2cccc(C(=O)Nc3cccc4[nH]ccc34)c2)n1 72404021 JYUGBTTVLKHLIM-UHFFFAOYSA-N 330.391 4.223 0 40 EIAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(Cl)cc1 74467848 HANPLPUGFGAWNS-UHFFFAOYSA-N 348.777 4.016 0 40 EIAB O=S(=O)(NCc1cc2ccccc2o1)c1ccc2ccccc2c1 84606036 YNQXNEHLUQDTAI-UHFFFAOYSA-N 337.400 4.065 0 40 EIAB CN(Cc1cccc(NCc2cccc(O)c2)c1)Cc1cscn1 89361115 GBCCAELQOBELRT-UHFFFAOYSA-N 339.464 4.093 0 40 EIAB C[C@@H](OC(=O)CCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 95468924 BWDJRPHDBVRKQY-NQIIRXRSSA-N 337.463 4.073 0 40 EIAB CCCn1c(C)nnc1CSc1nc(C)c(C)n1C1CCCC1 95978033 KINAVSNLGWOEQP-UHFFFAOYSA-N 333.505 4.217 0 40 EIAB Cc1noc(C)c1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96118691 DGSRMLCKRMCTDX-OAHLLOKOSA-N 343.814 4.234 0 40 EIAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1C[C@H]2CC[C@H]1C2 102606354 GCLRGSOQPXHGPU-JUFZMCDQSA-N 345.826 4.001 0 40 EIAB CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(Br)c1 166622704 BFZPQUAFFBAVMG-UHFFFAOYSA-N 331.213 4.015 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223217556 ZCPOTPLXBNXUCN-UONOGXRCSA-N 343.854 4.473 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 225507108 QZKLDIMXMADCFH-UHFFFAOYSA-N 338.451 4.029 0 40 EIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225884737 JHEBPCCQZWOXKU-FQEVSTJZSA-N 344.455 4.413 0 40 EIAB COc1ccccc1NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917819 JGKCOWOHJGYGAL-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB O=C(NCc1cccs1)NCc1nc(C2CCCCC2)cs1 390830728 MXSBHWIEZCBIHN-UHFFFAOYSA-N 335.498 4.252 0 40 EIAB COC(C)(C)/C=C/C/C(C)=C/COc1ccc2ccc(=O)oc2c1 514287900 HSQQMAPGYSIBOS-SZCVXIABSA-N 328.408 4.489 0 40 EIAB biogenic,in-vitro CC(=O)Nc1cc(N)cc(C)c1OCc1ccc(Cl)cc1Cl 584904527 MEXAVAUHNSHBQV-UHFFFAOYSA-N 339.222 4.421 0 40 EIAB Cc1cccc(Nc2nc3nonc3nc2Nc2cccc(C)c2)c1 75929 MWPGAWLCQJOIFT-UHFFFAOYSA-N 332.367 4.117 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 151322 QAMBWISRRFSUTJ-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB Cc1sc2ncnc(SCC(=O)N(C)c3ccccc3)c2c1C 3362370 GXYWXYIWCIAKNF-UHFFFAOYSA-N 343.477 4.063 0 40 EIAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 4023126 LDIFWCUQQYZOLG-KMPVGCBOSA-N 346.511 4.020 0 40 EIAB biogenic CCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2)cc1C 4517637 QCHSUTVCEJVDRB-UHFFFAOYSA-N 335.450 4.207 0 40 EIAB CSc1ccc2nc(Nc3nnc(-c4ccco4)o3)sc2c1 5122885 QZGRCVBRYIFJKM-UHFFFAOYSA-N 330.394 4.405 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl 6051495 AHYATNDADNIRJP-NSHDSACASA-N 336.218 4.350 0 40 EIAB Cc1c(Cl)cnn1[C@@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 6413287 PUIVAPHRKNSZIW-IWERZKIRSA-N 346.862 4.305 0 40 EIAB Cc1noc(C)c1CN1CCC(c2nc3ccccc3s2)CC1 6552742 GWURZUGUMBMBEU-UHFFFAOYSA-N 327.453 4.281 0 40 EIAB COc1cc(SC)ccc1C(=O)Nc1ccc(N2CCCC2)cc1 6821360 RMXAHKXWFDVRMU-UHFFFAOYSA-N 342.464 4.270 0 40 EIAB CN(Cc1ccc(F)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 6976628 OBJDAGDJRGEQJD-UHFFFAOYSA-N 331.778 4.161 0 40 EIAB Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)nc(C)c1C 7253509 QVTFAUMNDKCRIX-UHFFFAOYSA-N 337.448 4.286 0 40 EIAB Cc1cccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 7914624 CFMKYVPGFFREJI-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccsc1 7926903 SIFXZFYIQMPNLB-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1 8083388 TXQPQVMUNXYHQX-UHFFFAOYSA-N 329.371 4.134 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)CCC2 8240988 URBFUHPJLQRANL-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB CC(C)[C@@H](NC(=O)NC1CCCCCC1)c1ccc2c(c1)OCCO2 10409727 VOFYJVYSZLLCBW-LJQANCHMSA-N 346.471 4.177 0 40 EIAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(C(C)(C)C)cc2)C1 10542859 SAFCROCOINQTEZ-IRXDYDNUSA-N 330.516 4.082 0 40 EIAB CCCCOc1c(Br)cc(/C=C/C(=O)O)cc1OCC 11954800 JQKBDTVAAAPKKC-VOTSOKGWSA-N 343.217 4.125 0 40 EIAB Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 12080454 WWJVOGUSXDDUAQ-TZIWHRDSSA-N 345.377 4.463 0 40 EIAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 12780256 JLRHRXMBQHEXMX-IFXJQAMLSA-N 327.424 4.472 0 40 EIAB CSc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1 12853179 MKTNGOOMPOMOHB-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB CC(C)C(=O)Nc1ncc(Cc2ccccc2Br)s1 13001256 HCALTSAAOSDPSO-UHFFFAOYSA-N 339.258 4.091 0 40 EIAB Clc1ccccc1-c1nnc2ccc(NCCc3ccccc3)nn12 13629719 BJHRKVIBHRRPQM-UHFFFAOYSA-N 349.825 4.099 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSC1CCCCC1 13709829 HJLRHJDFKBNHLH-CYBMUJFWSA-N 341.904 4.289 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 17193728 MOXNGQHQTURADE-CQSZACIVSA-N 343.854 4.475 0 40 EIAB CCOC(=O)/C(=C\c1ccc(C)cc1)P(=O)(OCC)OCC 17381114 JGCLOKQRUSPYRU-NTCAYCPXSA-N 326.329 4.165 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Br 20104419 LAKOZPDRDDCIGZ-LBPRGKRZSA-N 348.240 4.418 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(OC(C)C)c1 20493440 HAVUTHBYQYSUMX-LJQANCHMSA-N 343.423 4.279 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(C)cc2)c1 26198492 OOFAQJMAIWQVHQ-UHFFFAOYSA-N 349.839 4.166 0 40 EIAB CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](c2ccccc2)C1 30029043 WIHYVDVFVRXVAO-KRWDZBQOSA-N 349.261 4.122 0 40 EIAB Cc1ccccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1N 32932508 DMNASYQEWNPLLO-UHFFFAOYSA-N 338.436 4.020 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)c1 36620531 GEUBZADPCWFDSM-GOSISDBHSA-N 329.465 4.138 0 40 EIAB COc1ccc(CCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 36633476 FWLMHZZZIFWFIF-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB Cc1ccccc1CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 40114901 NQDVCDJLPXKEML-UHFFFAOYSA-N 339.435 4.024 0 40 EIAB COc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 40135194 IBUHDBBZTBXPBQ-UHFFFAOYSA-N 325.383 4.154 0 40 EIAB C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 65564739 FAYQCTPDKHVNEW-YPMHNXCESA-N 325.334 4.072 0 40 EIAB CCc1nc2cc(NC(=O)Cc3csc(C(C)C)n3)ccc2o1 69389923 UAUGCZNTEPVOJB-UHFFFAOYSA-N 329.425 4.151 0 40 EIAB O=C(CCc1ccccn1)Nc1cccc(CSc2ccccn2)c1 69488811 JTOSHCRSRQLMOT-UHFFFAOYSA-N 349.459 4.340 0 40 EIAB Cc1ccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)cc1 72229058 QRYQMMZXJVEDSF-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB CCCC(=O)Nc1ccc(Cl)c2nc(-n3nc(C)cc3C)sc12 72229819 LPMDMROKRAWMKL-UHFFFAOYSA-N 348.859 4.491 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc2ccccc2n1 78880144 TZSUFQPPCWEUTK-LJQANCHMSA-N 334.467 4.354 0 40 EIAB Cc1noc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)n1 79018159 HMVLZIINEJXVLR-KRWDZBQOSA-N 331.778 4.050 0 40 EIAB O=C(CC1CCCC1)NCc1ccc([C@@H](O)c2cccs2)s1 85562169 VFVARJZZLMOHOU-KRWDZBQOSA-N 335.494 4.088 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)cc1Cl 85651286 GEFBZFKRYIRXFT-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3)c2Cl)c1 95117428 WAPYJLVYGXBIHK-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB CC(C)(C)OC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 95929857 UAYISMIQJYNJAB-HNNXBMFYSA-N 325.836 4.021 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1c(F)cccc1OC 96440875 MZSHWWSLFRYNJG-XJKSGUPXSA-N 345.418 4.083 0 40 EIAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102324675 KNWNEBVCQGFQPM-UHXUCMFUSA-N 327.346 4.140 0 40 EIAB O=C1[C@H]2Nc3ccccc3N=C2O[C@@H]1c1ccc(Cl)c(Cl)c1 104239947 XQHPFUBUOSOHLZ-UKRRQHHQSA-N 333.174 4.158 0 40 EIAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]312 118936218 VGIBLOMXKRYQHG-KMSCCEEJSA-N 330.468 4.140 0 40 EIAB Cc1c(NC(=O)c2cccc(OC(F)F)c2)cnn1-c1ccccc1 129157068 HBCUUHGWQDYPKR-UHFFFAOYSA-N 343.333 4.034 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219288306 MWKRBSBUMOYTTO-DOTOQJQBSA-N 339.435 4.181 0 40 EIAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1C 222995424 UBMKHDNSTKJHSK-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)C)o2)cc1 224905933 YRFAKLFASWOXKX-UHFFFAOYSA-N 336.391 4.155 0 40 EIAB COc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1 225308268 FPCNIEYEIPJLHO-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCCO[C@@](C)(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)C1CC1 225857393 DZCZYWZOMPENGP-MRXNPFEDSA-N 345.361 4.248 0 40 EIAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nc2c1 248382682 XSTKPWRQUPPZCW-QZWWFDLISA-N 339.483 4.053 0 40 EIAB Clc1ccc2c(c1)N=C(N1CCCCC1)[C@@H](N1CCCCC1)O2 255189622 RDOILNSWDFNASB-SFHVURJKSA-N 333.863 4.060 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc(F)cc2Cl)O[C@@H]2CCCC[C@@H]12 257270484 MUJSWOFEGIMZKP-RKTXRCNFSA-N 325.811 4.004 0 40 EIAB Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)c2cn(C)nc2C)cc1 266731589 BJBGXKNCVIYYGA-BEFAXECRSA-N 340.471 4.035 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c(C)c1 408677428 CTJOJBMOGPIWEM-INIZCTEOSA-N 327.424 4.497 0 40 EIAB CCOc1ccc2cc(C(=O)N[C@H](Cc3ccccc3)C3CC3)[nH]c2c1 522941997 ZWBDCVLPLARWGH-LJQANCHMSA-N 348.446 4.318 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cn1)[C@H](c1ccccc1)n1cccc1 575443220 PFQGZAPPMOAAJE-INIZCTEOSA-N 345.324 4.130 0 40 EIAB C[C@H](c1ccccc1)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]21 1857793335 UUSBFMLVGPMZAK-BPQIPLTHSA-N 330.472 4.079 0 40 EIAB COc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)cc3)c2)cc1 62606 XJFSZOOMKOVVLD-UHFFFAOYSA-N 346.382 4.166 0 40 EIAB CC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 414199 NVLLNYVQGQWUQE-UHFFFAOYSA-N 348.446 4.002 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@]1(C)C(=O)C2 1432749 GYENTNGSTLNTHQ-DLBZAZTESA-N 339.357 4.429 0 40 EIAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 3342376 OADBGAHJNNOUNU-SNVBAGLBSA-N 327.277 4.215 0 40 EIAB CCc1c(C)sc2nc(C)nc(SCC(=O)NC3CCCC3)c12 4888797 HAWMGEYIHOIFML-UHFFFAOYSA-N 349.525 4.021 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2)cc1OCC 6309238 ITTUATBFSQZDTH-OAHLLOKOSA-N 327.424 4.283 0 40 EIAB CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 6593921 GGWFICRCOOENLX-UHFFFAOYSA-N 336.284 4.337 0 40 EIAB CC(C)(C)c1cc(C(F)(F)F)c2c(n1)sc1c(O)cc(=O)[nH]c12 6855508 CKPXCNKKTRNDTH-UHFFFAOYSA-N 342.342 4.160 0 40 EIAB Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)n1 7616294 YZDCNUNTIBOMMV-NSHDSACASA-N 326.227 4.397 0 40 EIAB COc1ccc(C)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 7950682 JNBBDRPWNHXBGB-UHFFFAOYSA-N 343.471 4.044 0 40 EIAB Cc1nc2ccc(Br)cc2c(O)c1CN1CCC(C)CC1 8714161 ABWPREUABAEAHU-UHFFFAOYSA-N 349.272 4.243 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 8762555 OHNQBPXTWIHZKK-CQSZACIVSA-N 334.419 4.378 0 40 EIAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccccc3F)n2)cc1 9196443 QCNSBFWUFMPAFL-UHFFFAOYSA-N 339.370 4.146 0 40 EIAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1 11613448 KIIIQGUIIBPJGL-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 12138833 MLHHGBRWROPZBS-UHFFFAOYSA-N 340.423 4.176 0 40 EIAB Cn1cc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)cn1 12186581 FACFPZPLWYCIID-INIZCTEOSA-N 342.468 4.254 0 40 EIAB O=C(CSc1ccc2ccccc2c1)Nc1nc2ccccc2[nH]1 12499050 MPBKSISDPKDPER-UHFFFAOYSA-N 333.416 4.447 0 40 EIAB C[C@@H](NC1CCCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 12864598 OTXVYYWGBQIITR-GFCCVEGCSA-N 328.378 4.345 0 40 EIAB Cc1ccc(/C=C/C(=O)N(C)Cc2nc3ccccc3s2)s1 12897512 ABGYUFNBKNNAEI-MDZDMXLPSA-N 328.462 4.338 0 40 EIAB Cc1ccc(C)c2nc3c(cc12)CN(CCOc1ccccc1)CCO3 13563775 BMTDPRGXWZRRFR-UHFFFAOYSA-N 348.446 4.125 0 40 EIAB Cc1ccc2cc3c(nc2c1C)OCCN(CCOc1ccccc1)C3 13563793 ZFQPRYUZOWDTLV-UHFFFAOYSA-N 348.446 4.125 0 40 EIAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccc1Cl 14185733 AGJFZVMLTYENQL-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB O=C(CSCc1ccccc1)Nc1ccc(N2CCCC2)cc1 15801053 WNUZCSKHQVLDPL-UHFFFAOYSA-N 326.465 4.159 0 40 EIAB COc1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 15838527 CZFNKPQKZBSLLI-UHFFFAOYSA-N 327.767 4.277 0 40 EIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3C)[C@H]3CCCC[C@H]32)cc1 19239551 WHHIBUCIOMXLPE-MLNNCEHLSA-N 336.479 4.461 0 40 EIAB C[C@H](Cn1cncc1-c1cnn(C2CCCCC2)c1)N1CCCCC1 19719930 RRGLMRKLLFIOJU-QGZVFWFLSA-N 341.503 4.126 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(N)ccc1F 19736572 HSFUFMSTWKXSFC-MRVPVSSYSA-N 343.185 4.121 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSc1ccccc1 20489535 YMBDDLXEWGJHLA-QGZVFWFLSA-N 329.465 4.061 0 40 EIAB Cc1cccc(Nc2nc(C)c3ncn(-c4cccc(C)c4)c3n2)c1 21776993 OXYAQCMGITVRBD-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB COc1ccc(NC(=O)c2cccnc2Nc2cccc(C)c2)cc1 22072061 WSMNEOOERYLSHK-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(s1)CCCC2 25109938 LVXGFLGRWXWANR-ZDUSSCGKSA-N 329.465 4.469 0 40 EIAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(cc12)CCCC3 35325544 OAXOEMMQASWSOK-UHFFFAOYSA-N 326.396 4.127 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1c1cccs1 39995494 OLIKDPDEXXXRLI-QGZVFWFLSA-N 345.512 4.124 0 40 EIAB CCSc1nnc(NC(=O)CCCc2ccc(Cl)cc2)s1 40140237 CNUQXZLLJWMCDI-UHFFFAOYSA-N 341.889 4.265 0 40 EIAB CCOc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ccsc2)n1 55995278 RBQWPIYNFRZFDW-CYBMUJFWSA-N 336.844 4.173 0 40 EIAB O=C(Nc1ncccc1OC(F)F)c1cccc(Cl)c1Cl 57698283 MWSWMMPXLRDWLK-UHFFFAOYSA-N 333.121 4.242 0 40 EIAB O=C(Nc1ccc(NCc2ccccn2)cc1)c1ccc(F)cc1F 58244711 OMGPMKXNKNEETP-UHFFFAOYSA-N 339.345 4.224 0 40 EIAB CN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 58568442 XOSQJMSTGYEDTC-ZRDIBKRKSA-N 336.366 4.153 0 40 EIAB O=C(Nc1nnc(SCc2cccs2)s1)c1ccsc1 60934332 KAILKOSWYDGAGS-UHFFFAOYSA-N 339.492 4.206 0 40 EIAB CCN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1C 62580536 FKNHRACMQDPALP-FQEVSTJZSA-N 336.479 4.055 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)Nc1nc(C(C)C)cs1 69513569 PXHLLZKGKNUXQX-UHFFFAOYSA-N 331.397 4.004 0 40 EIAB CN(C(=O)[C@@H]1Cc2ccccc2O1)C(c1ccccc1)c1ccccc1 69599697 YKLSFGRYQNCABE-NRFANRHFSA-N 343.426 4.238 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1c1cccnc1 71911040 IKHKYSYHGCEIMI-KBPBESRZSA-N 330.815 4.264 0 40 EIAB COC(=O)c1cccc(C(=O)Nc2cc(-c3ccncc3)ccc2C)c1 72077678 CKIVZYZPODXUCG-UHFFFAOYSA-N 346.386 4.096 0 40 EIAB CC[C@@H](NC(=O)N[C@@H](C)c1c(C)noc1C)c1cc(F)ccc1F 76019953 UQVGDOZWQYWLFB-BJOHPYRUSA-N 337.370 4.081 0 40 EIAB Cc1c([C@@H](C)NC(=O)N(C)Cc2nccs2)oc2ccc(F)cc12 78967793 CTNGWNNMKUNKOA-LLVKDONJSA-N 347.415 4.239 0 40 EIAB Cc1cn2c(/C=C3/C(=O)Nc4cc(Cl)ccc43)c(C)nc2s1 84652727 DGQKXYPKKFYYLD-WUXMJOGZSA-N 329.812 4.159 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N1CCc2c([nH]c3ccccc23)C1 89916271 GPOGTRLKJKSKHK-UHFFFAOYSA-N 343.430 4.167 0 40 EIAB biogenic CCN(C(=O)NCc1ccc(Cl)cc1OC)[C@H](C)c1cccnc1 89960790 VJBXIVNTDXRREI-CYBMUJFWSA-N 347.846 4.036 0 40 EIAB CCN(CC)c1nc(-c2c(C)cc(C)cc2C)c(CC(=O)O)s1 95097127 ARUGYDHALVIVGB-UHFFFAOYSA-N 332.469 4.209 0 40 EIAB Fc1cc(OC(Cl)(Cl)Cl)cc(F)c1Br 95215508 YCFRALFSKCOULF-UHFFFAOYSA-N 326.351 4.434 0 40 EIAB C[C@@H](NCc1cc(C(N)=O)cs1)c1cc(F)c(Cl)cc1Cl 95427493 GCFKDCMWTOFIJR-SSDOTTSWSA-N 347.242 4.144 0 40 EIAB Cc1nc(C(C)C)c(-c2nn3c(C(F)(F)Cl)nnc3s2)s1 95472464 VGABGZXYDQLCFY-UHFFFAOYSA-N 349.819 4.029 0 40 EIAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(C(C)(C)C)n1 96024850 XWVHTPWFJUPAFI-UHFFFAOYSA-N 327.211 4.399 0 40 EIAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 113943598 YPUJALFZMYDVNB-CQSZACIVSA-N 347.842 4.211 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC)c1 113970549 IMOQHXLTNVROJM-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB CO[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1Cl 128259534 WTAUADSINRHXLV-KRWDZBQOSA-N 347.817 4.015 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(C)c1 218984353 JHAFPZBCYWDXCD-UHFFFAOYSA-N 341.407 4.211 0 40 EIAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2)cc1C(C)C 223303833 KWRFRMXEDLLEDI-HNNXBMFYSA-N 347.480 4.167 0 40 EIAB CCCc1ccc(OCCNC(=O)CSCc2ccccc2)cc1 223396867 PHMNHWFRUSXASF-UHFFFAOYSA-N 343.492 4.068 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)C 223788702 QAUMVDARPYGCLF-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSC1CCCC1 224820627 VIRQKGYSDZPYBB-OAHLLOKOSA-N 335.513 4.369 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccccc2)c1C 225280886 WPJXZEFOCHOWPQ-AWEZNQCLSA-N 342.464 4.219 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCC1(CC1)CO2 225364884 RIDBRDWGBZNYAH-UHFFFAOYSA-N 329.783 4.144 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2ccccc12 225813299 QMTSIOUYRHYAHM-FQEVSTJZSA-N 327.424 4.382 0 40 EIAB CCc1ccc(-n2c(C)nnc2SCCOc2ccccc2)cc1 409101324 XVMJGFPRLWBLKZ-UHFFFAOYSA-N 339.464 4.309 0 40 EIAB CCCCOc1ccc(-c2nnc([C@@H]3CCCCO3)o2)cc1OC 521393897 NETPHCUVIYSNFV-HNNXBMFYSA-N 332.400 4.166 0 40 EIAB O=C(N1CC[C@H](C2CCOCC2)C1)C1(c2cccs2)CCCCC1 534430314 XKOXNDNINNYDCH-KRWDZBQOSA-N 347.524 4.225 0 40 EIAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 189064 BXDBQMKCMZBKFJ-QGZVFWFLSA-N 343.224 4.147 0 40 EIAB CC(C)CCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 548649 JAHVSGXKAPWEDS-CQSZACIVSA-N 325.412 4.166 0 40 EIAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc(Cl)c1 570038 UZIPRWIFWKXFES-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 1421314 UVGFPVDJCRFIPE-IIDMSEBBSA-N 347.455 4.172 0 40 EIAB CC(=O)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 1426049 JTGACLKYHWCHOU-UHFFFAOYSA-N 329.399 4.409 0 40 EIAB O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCC3 3240154 CEYOGXWGSYWISG-ZDUSSCGKSA-N 339.247 4.398 0 40 EIAB CCOC(=O)c1nc(NCc2cccc(Cl)c2)c2ccccc2n1 4106939 YDGBSWWEWLOMGS-UHFFFAOYSA-N 341.798 4.072 0 40 EIAB C/C(=C\c1ccccc1)[C@H]1NC(=O)c2c(sc3c2CC[C@@H](C)C3)N1 4543373 IIGCSMMYJZAWAD-MKGRGECFSA-N 338.476 4.458 0 40 EIAB N=C1NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)S1 5631929 INYUBKMKEYWDEA-OQLLNIDSSA-N 344.823 4.058 0 40 EIAB Cc1ccc(C)c(Nc2nc3nonc3nc2NC2CCCCC2)c1 5798785 GUIMMEVVMSVJKA-UHFFFAOYSA-N 338.415 4.118 0 40 EIAB CCc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(C)cc1)=N2 6134985 ZOYUKRKAESVTMG-UHFFFAOYSA-N 340.430 4.386 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(Cl)c2)c1 6169674 FYGJOXOQESZODG-UHFFFAOYSA-N 339.178 4.424 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccncc2)c2ccccc2)c1 6831176 AGIIBNLAXJTNOW-NRFANRHFSA-N 345.446 4.168 0 40 EIAB Cc1cc(C)c(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(C)c1 7788394 GZXGKCAHJRRYTD-UHFFFAOYSA-N 340.442 4.354 0 40 EIAB Fc1cc(Br)ccc1NC(=S)NCc1cccs1 7982984 VWDVCVDCZIOWJU-UHFFFAOYSA-N 345.262 4.136 0 40 EIAB CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 8084308 NTAXCZFZBTUIEX-KEBDBYFISA-N 347.798 4.125 0 40 EIAB Cc1cccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)c1C 9330961 GKWOGPBCJVCUFZ-UHFFFAOYSA-N 331.379 4.227 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 9884705 JSBUWBPLKGHUDU-UHFFFAOYSA-N 328.755 4.297 0 40 EIAB Cc1cc2ccccc2n1CC(=O)OCc1cc(-c2ccccc2)on1 10622260 UULGUYGTSKROHR-UHFFFAOYSA-N 346.386 4.348 0 40 EIAB COc1ccc(-c2nc(COc3ccc(C)cc3OC)co2)cc1 12752739 CWQDKPHJCYWEKI-UHFFFAOYSA-N 325.364 4.246 0 40 EIAB C[C@H](NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 12784952 YLMKJKRDXUETRG-ZDUSSCGKSA-N 325.799 4.017 0 40 EIAB Cc1ccsc1CN(C)[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 14115046 CXIWLBDIIBUALA-LLVKDONJSA-N 347.509 4.164 0 40 EIAB O=C(NCCCSc1ccc(F)cc1)c1cc(F)cc(F)c1 14167547 IUYNEKKZHLWUQW-UHFFFAOYSA-N 325.355 4.016 0 40 EIAB Cc1ccc(CSc2nc(=O)n(C3CCCC3)c3c2CCC3)cc1 15840366 JKWCSQXNBVYHRF-UHFFFAOYSA-N 340.492 4.448 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)c(C)c1 16047607 ILVAXZGURJAYSG-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2C)cc1 20492686 FEQSCSPDZSXGJL-APWZRJJASA-N 341.451 4.429 0 40 EIAB O=C(O)[C@@H](NCc1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12 20739142 QFOPLAWJPQIGOL-FQEVSTJZSA-N 346.386 4.343 0 40 EIAB O=C(CCn1ccc2ccccc21)NCc1cccc(C(F)(F)F)c1 21872930 KWACNXSSTNZJAJ-UHFFFAOYSA-N 346.352 4.367 0 40 EIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(F)c3)c2C1 23990138 BPWCQWHVLXJNLW-UHFFFAOYSA-N 349.409 4.004 0 40 EIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(C(F)(F)F)c1 25263858 LLHHNJJJVLOXGG-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1C 30866869 KEOQDFIBDDKMFS-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB Cc1cc2oc(C(=O)N3CCOC34CCCCC4)c(C)c2cc1C 35671088 SUERVSMMQLIIMI-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB O=C(CCc1cccc(F)c1)NCc1ccc(F)cc1C(F)(F)F 36392505 GDJHOSNNZDYRFR-UHFFFAOYSA-N 343.295 4.233 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2ccnc2)cc1 38835046 IMMDSTSBPKROEK-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1cccc(O)c1 40312635 SQFHJDMBVMHIEG-OAHLLOKOSA-N 348.358 4.005 0 40 EIAB biogenic Cc1nc(Cc2nc(-c3ccc4c(c3)OCCCO4)cs2)cs1 46814883 DADAKKMWKZXJCG-UHFFFAOYSA-N 344.461 4.327 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc2ccccc2n1 48242148 YFCAMUZHKINIBD-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 58231034 CANUIGALHIAZRZ-MAUKXSAKSA-N 337.467 4.144 0 40 EIAB CC(=O)c1c(C)cc(C)c(CN(C[C@H](C)O)c2ccccc2)c1C 65575252 RCPGVSYWZVANHR-INIZCTEOSA-N 325.452 4.202 0 40 EIAB Cc1nnc(Sc2ccc(NC(=O)c3ccoc3C)c(C)c2)s1 69558765 HOISOCJTBOCJKY-UHFFFAOYSA-N 345.449 4.460 0 40 EIAB CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2c(C)noc2C)cc1 69587364 DAPRPQRVRHMZII-GFCCVEGCSA-N 347.484 4.306 0 40 EIAB Cc1c([C@H](C)NC(=O)N(C)Cc2ccncc2)oc2ccc(F)cc12 69770467 QYHMEPYOMDTGPU-ZDUSSCGKSA-N 341.386 4.178 0 40 EIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](C2=Cc3ccccc3OC2)S1 71287339 OSHJFOAAVHTRMO-INIZCTEOSA-N 341.436 4.483 0 40 EIAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)cnc1N1CCCC1 72218837 DYOQMFTYOWEJIT-HXUWFJFHSA-N 349.478 4.358 0 40 EIAB CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2nccs2)cc1 72272038 KIFMIZDBLCKRLH-KRWDZBQOSA-N 344.480 4.228 0 40 EIAB Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3F)C2)n1 72298729 VUTUWMYMQLCZQA-FVQBIDKESA-N 344.455 4.100 0 40 EIAB CC(C)(C)c1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1 85436391 YVOAMJUQIJSIRH-UHFFFAOYSA-N 340.471 4.125 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2cc(Cl)ccc2Cl)no1 89263132 JYBQEQWGOPTPMH-UHFFFAOYSA-N 341.223 4.312 0 40 EIAB CCOC(=O)Cc1csc(Nc2ccc(C(F)(F)F)cc2)n1 90471126 WDKPKGFNTPCZAN-UHFFFAOYSA-N 330.331 4.011 0 40 EIAB CCOc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 95481398 FDSGNWGDOUSHEL-HNNXBMFYSA-N 346.224 4.126 0 40 EIAB FC1(F)CCN(Cc2cccs2)C[C@]12CCN(c1ccccc1)C2 96051095 LMQARNNWBIZAER-SFHVURJKSA-N 348.462 4.486 0 40 EIAB Cc1ccc(NC(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)cc1 96182171 JSZAJLWRIQQOTI-UHFFFAOYSA-N 337.423 4.201 0 40 EIAB c1ccc(-n2ncc3c(N[C@H]4CCCc5ccccc54)ncnc32)cc1 96346859 FMILEFMXRBJALL-IBGZPJMESA-N 341.418 4.305 0 40 EIAB CCSc1ccc(NC(=O)N(CC)[C@H](C)c2cccnc2)cn1 96406978 IKXZBMXKZVCMNS-CYBMUJFWSA-N 330.457 4.204 0 40 EIAB Cc1ccc(-c2noc(-c3c(N)sc4c3CC[C@@H](C)C4)n2)cc1 100102361 MEZBZJARSZPMFX-LLVKDONJSA-N 325.437 4.481 0 40 EIAB Cc1nc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 102402554 QGQSBGRKTHGBMP-CPWXYTRJSA-N 325.861 4.073 0 40 EIAB CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)OCc1cccc(OC)c1 107353124 XHKRSZJGNUYAIM-TXPKVOOTSA-N 333.472 4.028 0 40 EIAB CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(OCC)c2)cc1 107879726 OEKGCKBICYVHSH-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB Cc1ccc(CC(=O)NCCOc2cccc3ccccc23)cc1C 223542911 WAYVQGOZOVKJDK-UHFFFAOYSA-N 333.431 4.194 0 40 EIAB Cc1cc(NC(=S)NCc2ccc(Cl)cc2)ncc1Cl 223929221 XMLJWWFQFBFVLW-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(F)cc2)on1 224069124 IGVFDWVZKYNVBV-AWEZNQCLSA-N 338.382 4.232 0 40 EIAB Cc1ccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225090407 YMHUKPFHIUGXBF-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CCCOC(=O)c1ccc(Nc2cc(Cl)ccc2OC)c(N)c1 225434469 SJLHFNGGAOEOHB-UHFFFAOYSA-N 334.803 4.241 0 40 EIAB C[C@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)c1cccs1 225621731 NOZJOIHHDWPESE-SFHVURJKSA-N 343.473 4.114 0 40 EIAB COc1ccccc1CNC(=O)c1cc(C(C)C)c(OC)cc1C 225656963 PZEKMPZBVMCROR-UHFFFAOYSA-N 327.424 4.066 0 40 EIAB C[C@@H]1C[C@H](O)[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 253388206 XWKYXEIGWQYOCY-AEDWNXJWSA-N 332.440 4.047 0 40 EIAB biogenic,in-vitro CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Cl)c4)OCC[C@@]31C2 257335552 YKQSIMHOHKLHMR-ILCCUAOLSA-N 347.886 4.359 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccc(OC)c3)N21 260753021 AVGZLDJGSSZSAZ-OLMNPRSZSA-N 339.464 4.070 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(-n2cccc2)cc1 585402910 FEJFWUVNQTXUIK-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB COC1CC(c2nc(CCCOc3cccc4ccccc34)no2)C1 624505920 BYMWATGJZVOJPU-UHFFFAOYSA-N 338.407 4.127 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 147268 NSMDVTDHRIBQMV-VQHVLOKHSA-N 325.408 4.281 0 40 EIAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1 190359 FTJCLBDUACOUGY-UHFFFAOYSA-N 339.420 4.081 0 40 EIAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1 328315 UMNNFZCODSZUSX-UHFFFAOYSA-N 340.762 4.154 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 354343 KIQLUMVBJRWUED-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB COC(=O)c1ccccc1OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 364001 JSLDFKUIJRNGOL-HNNXBMFYSA-N 340.419 4.381 0 40 EIAB COc1ccc(-c2nnc(NC(=O)CCC3CCCC3)s2)cc1 416559 DKKZSPFJLBZKJP-UHFFFAOYSA-N 331.441 4.123 0 40 EIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(F)cc1 430341 CDJSWASMXYKJID-VGOFMYFVSA-N 336.149 4.477 0 40 EIAB O=C(c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1723195 VWCUNOQQIDRICG-FQEVSTJZSA-N 336.412 4.085 0 40 EIAB O=C1Cc2c([nH]c3cc(Br)ccc23)-c2ccccc2N1 1856446 IGYURNWXVFOIOW-UHFFFAOYSA-N 327.181 4.092 0 40 EIAB CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCC2 2641139 BBZIYVYLCGNZMP-UHFFFAOYSA-N 335.469 4.322 0 40 EIAB CC[C@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1ccccc1 2756923 OUYBQSYLQMOFRM-MRXNPFEDSA-N 342.439 4.155 0 40 EIAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 2801649 CAXMIUKDTMCXDN-NWDGAFQWSA-N 342.222 4.379 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccccc1Cc1ccccc1 3322024 JSQYUKKJLJXHJF-QZTJIDSGSA-N 336.479 4.479 0 40 EIAB O=C(CCc1ccccc1)NCCSCc1ccccc1Cl 4723840 FYUCPDASCSGESQ-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 4854212 QBLNIPUQGYRLHC-IBGZPJMESA-N 335.382 4.264 0 40 EIAB COc1cc(CNCc2ccco2)ccc1OCc1ccccc1F 5019452 BHKIQMVEUSGSBK-UHFFFAOYSA-N 341.382 4.296 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c2ccccc12 6667912 ZEENWVIQNBKDIF-PBHICJAKSA-N 347.480 4.096 0 40 EIAB O=c1c(SCc2ccc(F)cc2Cl)nccn1-c1ccccc1 6915190 SQIDVTKNUZMWJI-UHFFFAOYSA-N 346.814 4.317 0 40 EIAB O=c1[nH]c(CSc2ccc(F)cc2F)nc2c1oc1ccccc12 6997719 HNUXMKMPSYMNQN-UHFFFAOYSA-N 344.342 4.240 0 40 EIAB Cn1cccc1[C@H]1NC(=O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 7660687 ZSTBQKWZKLTCTE-BZNIZROVSA-N 343.496 4.092 0 40 EIAB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCCCC1 7911348 PHHVPJOZQGGCIL-UHFFFAOYSA-N 345.446 4.225 0 40 EIAB COc1ccccc1CNC(=O)c1csc(-c2ccc(C)cc2)n1 8061211 WEUKZPUVMGIROO-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB O=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063368 GNOLHPXYPDZETK-UHFFFAOYSA-N 328.843 4.191 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 9988378 GWQWUDOKKAGNAU-UHFFFAOYSA-N 347.458 4.301 0 40 EIAB CC(C)[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1 10405717 FSCSCEHPDAOIDQ-KRWDZBQOSA-N 342.830 4.340 0 40 EIAB CC[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 11266549 HWWVDTCGWMCXKM-VQTJNVASSA-N 340.442 4.195 0 40 EIAB C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc12)[C@@H]1CCCO1 12929919 YQLNPRVKGHYXJQ-WBMJQRKESA-N 325.437 4.338 0 40 EIAB O=C(O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 15083777 AMVRJANYNHWTDN-UHFFFAOYSA-N 339.366 4.116 0 40 EIAB Nc1c(-c2n[nH]c(=S)n2C2CCCCC2)sc2ncccc12 19894311 HNWUHNAHQKRUMC-UHFFFAOYSA-N 331.470 4.305 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)CCc1ccccc1 20042649 TXRUTKIOFTXQRT-XLIONFOSSA-N 325.452 4.290 0 40 EIAB O=C(c1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 20369450 XOWDWEDDNUUOQB-UHFFFAOYSA-N 345.148 4.155 0 40 EIAB c1ccc(-c2cc3cn[nH]c3nc2-c2ccnn2-c2ccccc2)cc1 20448950 FSYDLXOKJHGWQI-UHFFFAOYSA-N 337.386 4.478 0 40 EIAB O=C(Oc1ccccc1Cl)C1=C(c2ccccc2)SCCO1 20739975 KBNLBWQMHASWMD-UHFFFAOYSA-N 332.808 4.378 0 40 EIAB O=C(c1ccc(COc2ccccc2)o1)N1CCc2sccc2C1 22597372 IZDGYTROHORCJE-UHFFFAOYSA-N 339.416 4.119 0 40 EIAB O=C(NC1(c2ccccc2)CCC1)c1ccc(F)cc1Br 25044635 XNLUMIIDCBEEKS-UHFFFAOYSA-N 348.215 4.397 0 40 EIAB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1OC(F)F 27358969 AIWYZKLPLMRURD-OAHLLOKOSA-N 335.350 4.178 0 40 EIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)c1ccccc1 32642772 CTKPOBFMMSOQBT-UHFFFAOYSA-N 340.423 4.458 0 40 EIAB COc1ccccc1NC(=O)Cc1ccc(-c2csc(C)n2)cc1 32815645 GPYREABNYQDGGH-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB C[C@@]12CC3CC(NC(=O)COc4ccccc4F)(C1)C[C@](C)(C3)C2 41107589 GUTREOVHCMJDDZ-ODNNXGBQSA-N 331.431 4.070 0 40 EIAB O=C(CCCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 47073677 CJIWOOVLZZMZCR-LJQANCHMSA-N 333.435 4.249 0 40 EIAB O=C(O)c1cnc(Cc2ccc(Cl)cc2)nc1Nc1ccccc1 49469683 KTYPPLYLLRZCCT-UHFFFAOYSA-N 339.782 4.163 0 40 EIAB O=c1ccc(-c2ccccc2)nn1CCOc1ccc2ccccc2c1 54657967 ZQTGUDHTHGVOSR-UHFFFAOYSA-N 342.398 4.143 0 40 EIAB Cc1cc(C)n(-c2nc3ccc(N4CCC(C)CC4)cc3s2)n1 57332330 BMJFRXHPTONIMY-UHFFFAOYSA-N 326.469 4.335 0 40 EIAB Cc1ccc(C)n1C1CCN(C(=O)Nc2ccc(F)cc2F)CC1 58195028 JPMBKGOIPCXDPA-UHFFFAOYSA-N 333.382 4.252 0 40 EIAB COCCCCc1nc2cc(-c3ccccc3Cl)sc2c(=O)[nH]1 58478007 ZTJCCURINNMXGZ-UHFFFAOYSA-N 348.855 4.274 0 40 EIAB CC(C)(CC(=O)O)CC(=O)Nc1ccc2nc(C3CC3)sc2c1 63897956 MROVXIQLVACFDC-UHFFFAOYSA-N 332.425 4.003 0 40 EIAB CC[C@@H](C)n1nccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 66661689 BPYADIGHEXHBLS-LLVKDONJSA-N 344.802 4.415 0 40 EIAB FC(F)(F)[C@@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 69323112 ADIROIMBGJGWKP-LLVKDONJSA-N 345.752 4.164 0 40 EIAB COc1cc(OC)cc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1 71282997 YFMHEVZCVBVLEB-INIZCTEOSA-N 341.411 4.139 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1N1CCCC1 72216011 VKSPKLXTLCOCFX-INIZCTEOSA-N 331.460 4.144 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 72291530 YDFARVQEWUXWFW-IUODEOHRSA-N 342.826 4.211 0 40 EIAB c1ccc(Oc2cncc([C@H]3CCCN3Cc3cccnc3)n2)cc1 72361890 IBYKBFNWCFAOGQ-LJQANCHMSA-N 332.407 4.001 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCc2nnc(-c3ccccc3)o2)cc1 75358894 PNQZDAMRZCJYNZ-UHFFFAOYSA-N 349.434 4.007 0 40 EIAB Cc1sc(CCNC(=O)CCc2ccco2)nc1-c1ccccc1 76042044 DEQIIDJGGOFRSJ-UHFFFAOYSA-N 340.448 4.003 0 40 EIAB Cc1cnc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cn1 84258316 IJOBEULLOYQOAN-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CC(C)(C)c1nnc(CSCc2ccn(-c3ccc(F)cc3)n2)o1 95412924 FJPIAQXZWHKTOJ-UHFFFAOYSA-N 346.431 4.125 0 40 EIAB CC(=O)Nc1cccc(CNCc2cc(Cl)cc3cccnc23)c1 95418506 CVUVAPRWRFTYCS-UHFFFAOYSA-N 339.826 4.136 0 40 EIAB COc1cc(F)c(NCc2ccc(-c3cccnc3)o2)cc1OC 95448781 RQXZBGPVGQDQAH-UHFFFAOYSA-N 328.343 4.110 0 40 EIAB COP(=O)(OC)C(C)(C)C/C(C)=N/Nc1ccccc1[N+](=O)[O-] 95951330 RKLNYTNGQLFKMV-RVDMUPIBSA-N 343.320 4.037 0 40 EIAB Cc1ccsc1-c1cccc(NC(=O)N(C)C[C@H]2CCOC2)c1 95964202 RTXMWZQAWHCTRR-CQSZACIVSA-N 330.453 4.224 0 40 EIAB Cc1ccc(CN2CCCC3(CCN(Cc4ccoc4)CC3)C2)cc1 96047373 DLWQZDBWVAOXCT-UHFFFAOYSA-N 338.495 4.466 0 40 EIAB Cc1csc([C@@H](NC(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)n1 96437459 XLEKPBZVRZXBJJ-ABAIWWIYSA-N 333.432 4.102 0 40 EIAB O=C(Nc1cc(Cl)cc2c1OCC2)c1ccc(F)cc1Cl 97145616 VOBCXJLMKXIYDQ-UHFFFAOYSA-N 326.154 4.320 0 40 EIAB Cc1nccn1-c1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn12 100880927 MXSBVRIRAGTFCX-UHFFFAOYSA-N 331.423 4.188 0 40 EIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@H](c2cccs2)C1 102558270 JFNNVHXBXRIYSL-SCLBCKFNSA-N 348.431 4.405 0 40 EIAB COc1cccc2c1O[C@@H](C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 102767954 OVYZWXVFOUTKAI-MEDUHNTESA-N 328.799 4.238 0 40 EIAB Cc1cc2oc(=O)cc(CN[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C 103414896 SVPQALSVIUZZSG-MUQADHOPSA-N 325.452 4.324 0 40 EIAB CCC[C@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1cc(F)ccc1C 107543083 XDSHYHWFEAJAAR-DNVCBOLYSA-N 343.446 4.329 0 40 EIAB Fc1cccc(Nc2nc(Cl)nc(NCC3CCCCC3)n2)c1 199800932 YITBJJSHDXJSLJ-UHFFFAOYSA-N 335.814 4.400 0 40 EIAB Cc1ccccc1NC(=O)NCc1ccc([C@H](O)c2ccco2)s1 206688564 MTHUHKKWBNDDSD-QGZVFWFLSA-N 342.420 4.053 0 40 EIAB COC(=O)c1c(C)n(C(=O)c2ccc(C)cc2Cl)c2ccccc12 216955555 KALNBQITABYQTL-UHFFFAOYSA-N 341.794 4.387 0 40 EIAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)COc1ccc(C)cc1 219393031 DNECFXRLTUECIN-INIZCTEOSA-N 349.430 4.354 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 223442106 FGXHQNUIVHATHB-HZPDHXFCSA-N 329.415 4.396 0 40 EIAB CCOc1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 225447045 TVDXAXGMJBOWCI-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cn1 225904531 UGZQMBJNDVZIGA-LJQANCHMSA-N 336.476 4.430 0 40 EIAB Fc1cc(Br)cc(F)c1OCc1nc2ccccc2[nH]1 226072813 FLUFFFLLBUUVDB-UHFFFAOYSA-N 339.139 4.183 0 40 EIAB CCCCOc1ccc(C(=O)NCc2ccccc2)cc1OCC 255939265 JDGWSJVNTNARLI-UHFFFAOYSA-N 327.424 4.194 0 40 EIAB O=C(COCc1ccccc1)N[C@H](c1ccsc1)c1cccs1 390826317 IBDOEHLYVGKOJL-GOSISDBHSA-N 343.473 4.232 0 40 EIAB CC(C)c1ccc(C(=O)Nc2cncc(Br)c2)s1 546889102 PINYPUDIWFQXGV-UHFFFAOYSA-N 325.231 4.281 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 1547139857 NCMZQTLCXHGLOK-OVDOOKCHSA-N 330.468 4.450 0 40 EIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1 90615 SYKGNAHGICGDQU-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CC3)cc2c1 413063 JERJYRYSWOVPSL-UHFFFAOYSA-N 347.418 4.033 0 40 EIAB Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)ccc1Br 515028 CAEIWPQUDVDMJB-UHFFFAOYSA-N 349.228 4.192 0 40 EIAB Cc1ccccc1-c1nnc2sc(-c3ccccc3Cl)nn12 532380 KBTOWXCJFOSBET-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn12)[C@H](C)CCC3 2328174 VCGPFEVZMUYTGI-SNVBAGLBSA-N 335.436 4.149 0 40 EIAB COc1ccc(CN(C)C(=O)Nc2ccc(Br)cc2)cc1 3153219 NQRNDMIMPZNVRG-UHFFFAOYSA-N 349.228 4.122 0 40 EIAB CC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(Br)cc2)cc1 3288031 LFVGIXBPHSDWCT-GFCCVEGCSA-N 347.208 4.302 0 40 EIAB O=C(NCCc1ccccc1)c1cccnc1Sc1ccccc1 3422794 QTIPDUMVGZSUHH-UHFFFAOYSA-N 334.444 4.205 0 40 EIAB CCc1cccc(C)c1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 3548548 VBSLLIXQMXNQTN-IBGZPJMESA-N 339.435 4.368 0 40 EIAB CCc1ccccc1NC(=O)c1cc(OC)ccc1Br 3557621 MCQUSPHIEAKKGC-UHFFFAOYSA-N 334.213 4.272 0 40 EIAB COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 5661903 CAPIXNYGZXEHKG-QGZVFWFLSA-N 349.839 4.136 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 6265022 CPTCFTZECKYYHU-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1ccc(Br)s1 6559256 PCYCXMKHXWRVEV-UHFFFAOYSA-N 330.634 4.094 0 40 EIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1c(F)cccc1F 6788376 MZZFYJQMKXGZIF-CSKARUKUSA-N 344.748 4.272 0 40 EIAB CN(C(=S)NC(=O)/C=C/c1ccccc1Cl)C1CCCCC1 8374555 BNEAXTQWHXGKBT-VAWYXSNFSA-N 336.888 4.019 0 40 EIAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2c(Br)c1N 8728935 GLHZJIZQWQCOLH-UHFFFAOYSA-N 345.244 4.197 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1 9062990 TWQVYFQHGVDTHT-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB CCCCCC(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 9140754 FGQLQWWLWOHLKO-UHFFFAOYSA-N 335.498 4.306 0 40 EIAB O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccccc1 9894937 NINXJXDNJRATHT-MRXNPFEDSA-N 330.225 4.426 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)s1 10556444 WKGYEOZVWPWKNV-UHFFFAOYSA-N 340.433 4.309 0 40 EIAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cccc(C)c2)cc1Cl 10943578 VJTITRPXAXOVGD-LBPRGKRZSA-N 345.830 4.046 0 40 EIAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)c1ccc2c(c1)CCCC2 12375056 RYRYOBLOSMHMBQ-UHFFFAOYSA-N 341.794 4.010 0 40 EIAB O=C(NCCCCc1ccccc1)NCc1ccc(OC(F)F)cc1 12877474 YVOIMAQZNSUOOA-UHFFFAOYSA-N 348.393 4.110 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12)OCCO3 13399647 FYVKKXPWOJKVKR-FLIUJYPFSA-N 334.500 4.133 0 40 EIAB biogenic O=C(c1cnc2cc3c(cc2c1)OC1(CCCC1)O3)c1ccccc1O 14128756 MTZKGFRFMZWADW-UHFFFAOYSA-N 347.370 4.213 0 40 EIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(C)(C)C 16780144 SFZYGKZHXKHIND-CQSZACIVSA-N 347.480 4.032 0 40 EIAB Cc1ccc(CC(=O)NCC(c2ccccc2)c2ccccc2)cc1 17910619 NISCJPJUCJWUJQ-UHFFFAOYSA-N 329.443 4.486 0 40 EIAB O=S(=O)(Cc1cccc(Cl)c1)c1ccc(Br)cc1 19821982 YHDQXKXIOVUVQC-UHFFFAOYSA-N 345.645 4.076 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC 20037863 PYPMXRLOJWULOI-KXKDPZRNSA-N 339.435 4.211 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(NC(C)=O)cc1 20042225 MMRUNJMTTRUHBB-GOSISDBHSA-N 340.423 4.058 0 40 EIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)cc1 20137515 WRUPOCLHOOHILO-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21170721 VSKHTSNEOFXCKY-HXUWFJFHSA-N 328.500 4.256 0 40 EIAB Cc1ccc(-c2nc(COC(=O)Cc3c(C)noc3C)cs2)cc1 21493550 GIJUPWCMHAPWHM-UHFFFAOYSA-N 342.420 4.009 0 40 EIAB C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1F 23544448 KWWPQEWTKIUACI-AWEZNQCLSA-N 349.409 4.380 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)n1 25447324 ITYDFKQPDJZXAO-UHFFFAOYSA-N 344.415 4.222 0 40 EIAB CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C)c1ccccc1 26084478 IFKAUEFSEVGOQK-UHFFFAOYSA-N 336.439 4.067 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2OC(F)F)s1 26930914 VAGLETJVAAZROH-UHFFFAOYSA-N 339.363 4.260 0 40 EIAB C[C@@H]1Cc2ccccc2N1C[C@@H](O)COc1ccc2ccccc2c1 27529403 LJBKFUJLECHTRB-OXQOHEQNSA-N 333.431 4.031 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)N(CC)CC)c2ccccc12 28251858 HBEYWYIHJKKHFM-UHFFFAOYSA-N 349.496 4.439 0 40 EIAB Clc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cn1 29829000 NAUKXAYEYYKPNS-AWEZNQCLSA-N 327.815 4.256 0 40 EIAB CCN(CC)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 32901433 MXQQPOSVMXGJET-UHFFFAOYSA-N 329.425 4.050 0 40 EIAB Cc1c(C(=O)Nc2ccc(NC(N)=O)cc2)sc2cccc(F)c12 32901857 SIZQRBKNIGPLBC-UHFFFAOYSA-N 343.383 4.092 0 40 EIAB COc1cccc2cc(/C=C/C(=O)N(Cc3cccnc3)C3CC3)oc12 32970090 NWHVLQVPAOONGE-MDZDMXLPSA-N 348.402 4.041 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1cccc2cccnc12 32983132 CNAUAKMUPQDYSI-UHFFFAOYSA-N 336.391 4.041 0 40 EIAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(OC(F)F)c1 36395031 RDZAQCUTEDPDDS-SECBINFHSA-N 327.277 4.057 0 40 EIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC[C@@H]3CCCO3)n2)s1 36613615 FCUITVQCHXOMGD-JTQLQIEISA-N 343.374 4.123 0 40 EIAB O=C(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 37519052 ANPYTZAQTYHWEI-UHFFFAOYSA-N 335.075 4.426 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 38772560 OPRVNWSKUOIYSJ-IAGOWNOFSA-N 325.452 4.154 0 40 EIAB CC[C@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(C)cc1 49581002 SIACTIUKZPZONZ-INIZCTEOSA-N 341.842 4.126 0 40 EIAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl 57529602 HLAMDRGKWMQGOB-SCLBCKFNSA-N 328.843 4.011 0 40 EIAB CC(C)c1cc(C(=O)N2CCC[C@H]2C(C)C)c2cnn(C(C)C)c2n1 58363298 JVWMREXAJOESGE-SFHVURJKSA-N 342.487 4.396 0 40 EIAB O=C(Nc1nnc(C(F)F)s1)c1ccc2[nH]c3c(c2c1)CCCC3 65547756 DRZBYCFMILIUBH-UHFFFAOYSA-N 348.378 4.088 0 40 EIAB FC(F)c1nc(Oc2ccc(-c3nnco3)cc2)c2ccccc2n1 66450869 QBYIVMZRDCFWFS-UHFFFAOYSA-N 340.289 4.410 0 40 EIAB COc1ccc(-c2n[nH]c(SCc3ccc(Cl)s3)n2)cc1 68870982 LBWFDVFWTCLKME-UHFFFAOYSA-N 337.857 4.488 0 40 EIAB Cn1c(=O)c([C@H]2SCC(O)=Nc3ccsc32)cc2ccccc21 71279391 LZIGYUMHIODUEJ-OAHLLOKOSA-N 342.445 4.024 0 40 EIAB O=C(Nc1ccccc1COc1ccccc1)[C@H]1Cc2ccccc2O1 71818532 AMWLJTIEPNINKG-OAQYLSRUSA-N 345.398 4.208 0 40 EIAB Cc1ccoc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 71884316 FCXDLGRWVDQZSY-UHFFFAOYSA-N 340.404 4.083 0 40 EIAB COc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 77270390 ZPNICKIKMXJXOR-VSHGRSIOSA-N 342.435 4.123 0 40 EIAB in-vitro Cc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345248 MWMQZXLBQXQFBQ-ZIAGYGMSSA-N 343.810 4.162 0 40 EIAB Cc1ccc([S@@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)cc1C 84180906 RIICPXYYCDDLGU-HSZRJFAPSA-N 346.839 4.315 0 40 EIAB CCS(=O)(=O)c1ccc([C@@H](C)NC(C)(C)Cc2ccccc2)cc1 95462736 FQJGSGQCOHMUDB-MRXNPFEDSA-N 345.508 4.152 0 40 EIAB COc1cccc2cc(C(=O)Nc3c(C)cccc3Cl)c(=O)oc12 95470713 RBXGXNZZMZQJAU-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB C[C@]12C[C@@H](NC(=S)N1c1ccccc1)c1cccc(Cl)c1O2 101170062 XXHILIDXRKYVAM-PBHICJAKSA-N 330.840 4.275 0 40 EIAB C[C@]12C[C@@H](C(=O)O)[C@@](C)(C1=O)C(c1ccccc1)=C2c1ccccc1 104262908 FMCRQNULZBIBDZ-KNXBSLHKSA-N 332.399 4.297 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 113955593 OKELOFFMOYQMTP-MRXNPFEDSA-N 338.234 4.467 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)o1 162104930 BZXNDCUQWJTZBQ-OAHLLOKOSA-N 334.803 4.448 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(COC)c1 176029981 BOVLPXXTFBEVGA-MRXNPFEDSA-N 333.815 4.283 0 40 EIAB CC(C)n1ncc2cc(CNc3cc(C(F)(F)F)ccn3)cnc21 192148460 LGQBKLFOECUEOS-UHFFFAOYSA-N 335.333 4.038 0 40 EIAB C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1nnc(C2CC2)n1C1CC1 194543674 MWTCUXROCHDMAR-QVQLBTGDSA-N 349.887 4.154 0 40 EIAB Cc1ncsc1C(=O)Nc1ccccc1-c1cn2ccsc2n1 206894742 KYGLUKSGQOTOKO-UHFFFAOYSA-N 340.433 4.080 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222935416 UZFJACGXPBXJFJ-CYBMUJFWSA-N 349.883 4.258 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1 223179675 JBEKZOWMVFQGPD-AWEZNQCLSA-N 347.842 4.222 0 40 EIAB Cc1cccc(OCCNC(=O)CCSc2ccc(Cl)cc2)c1 223418014 IOVWTBJNDKIJDS-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB Cc1nc(NC(=S)NCc2ccccc2Cl)ccc1Cl 223932693 PYUKUYQPBWLPBC-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CC(C)c1ccc(CCC(=O)NCCOCc2ccccc2)cc1 224597315 XEKAVTOZLQFHBM-UHFFFAOYSA-N 325.452 4.076 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1C 224833555 DMKAKYBCPLXHSU-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB C[C@@H](NCc1cccc2c1CCNC2)c1nc(-c2ccccc2)cs1 635010411 KNMBMJGETASJPA-OAHLLOKOSA-N 349.503 4.307 0 40 EIAB CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@](C)(O)CC1(C)C 225612 OIFCIQXNZMBGTG-OAHLLOKOSA-N 331.243 4.133 0 40 EIAB CCOc1ccc(-c2nn3c(-c4ccccc4C)nnc3s2)cc1 533401 MSIGRUDLFXOXEV-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CC(C)(C)C(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 1912347 YLILNUSTSFYDJM-UHFFFAOYSA-N 349.434 4.298 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)CCSc3ccccc3)sc2C1 2642248 RSLHFNPFIYIRQZ-GFCCVEGCSA-N 332.494 4.389 0 40 EIAB COc1cccc(CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 2652506 LJVBCXIUNMIIHN-SFHVURJKSA-N 331.843 4.405 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)n1 3302514 QVQYQHDSDPPFGJ-UHFFFAOYSA-N 339.826 4.073 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)CCc1ccccc1 3893255 FLZTZXJVQYKHQN-UHFFFAOYSA-N 339.416 4.259 0 40 EIAB CC(C)Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033488 UIXMEILPPRHPHN-SFHVURJKSA-N 347.462 4.208 0 40 EIAB Cc1cc(C)c2[nH]c3nc(SCC(=O)c4ccccc4)nnc3c2c1 4349661 GRMAJEKOQIEEHA-UHFFFAOYSA-N 348.431 4.098 0 40 EIAB CCN(c1ncnc2c1cnn2-c1ccc(C)cc1)C1CCCCC1 4354995 UCVQCUROELEYHI-UHFFFAOYSA-N 335.455 4.283 0 40 EIAB CC[C@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 4404531 SPEXSRJGEOVWTM-UFYCRDLUSA-N 327.468 4.154 0 40 EIAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 4667011 MMIRJOKAHDIIIE-UEXGIBASSA-N 339.479 4.071 0 40 EIAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(Cl)cc2)cc1 4928721 NLKDPOSFRMMDOO-SFHVURJKSA-N 337.810 4.430 0 40 EIAB CSc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 5872075 OLODDQGZDFROJS-MRVPVSSYSA-N 335.479 4.105 0 40 EIAB C[C@@H](O)c1nc2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 6025055 ZWDYYHUGIACZJP-SECBINFHSA-N 335.190 4.085 0 40 EIAB CCCCN1C(=O)S[C@@H](Cc2ccc(Cl)cc2Cl)C1=O 6647653 YAFRSJGXZQYHNE-LBPRGKRZSA-N 332.252 4.400 0 40 EIAB CCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7262331 HIFSTFFNONBMLW-UHFFFAOYSA-N 325.861 4.489 0 40 EIAB Cc1sc(CC(=O)NCc2ccccc2)nc1-c1ccc(F)cc1 8103361 IFZDQXXVVPSFCU-UHFFFAOYSA-N 340.423 4.117 0 40 EIAB C[C@@H](NC1CCCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 8186458 YTHSGZOZDBJQFU-QGZVFWFLSA-N 343.515 4.316 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1 8475625 DBEILIUORIMYKE-UHFFFAOYSA-N 347.418 4.050 0 40 EIAB C[C@H]1Sc2ccc(C(=O)OCc3ccccc3Cl)cc2NC1=O 8716465 CUNIWPLMBQKIQP-SNVBAGLBSA-N 347.823 4.130 0 40 EIAB Cc1ccccc1C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 8990154 DVKDUOZRXMMCGI-UHFFFAOYSA-N 333.391 4.176 0 40 EIAB O=C1CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2N1 9134384 JHRMPWBEECLKSJ-UHFFFAOYSA-N 342.398 4.491 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 9204329 SIJYOWDIPPRNJY-UHFFFAOYSA-N 341.432 4.257 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 9978062 JCNPMHRYUZENKF-WBVHZDCISA-N 348.450 4.213 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1ccccc1)c1ccccc1Cl 11915261 DTUDUCDZOUAWQJ-SFHVURJKSA-N 330.859 4.153 0 40 EIAB COc1ccc([C@@H]2CN(CC3CCCCC3)C[C@H]2c2cc[nH]n2)cc1 12128479 MURYACHFMLDPRP-VQTJNVASSA-N 339.483 4.182 0 40 EIAB O=C1c2ccccc2C(=O)N1CSc1cccc(C(F)(F)F)c1 12264102 YWVNZVILIUOQEK-UHFFFAOYSA-N 337.322 4.051 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1F 12796370 LBXFZOCUXVMLQW-QWHCGFSZSA-N 335.806 4.432 0 40 EIAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)C)cc1 12896462 XRRUYPRMGLFUMT-UHFFFAOYSA-N 340.398 4.003 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3cc4ccccc4o3)cc12 12917580 UXGNFCJWWNILMM-LLVKDONJSA-N 339.420 4.180 0 40 EIAB O=C(NCc1cccs1)c1ccc2noc(-c3ccccc3)c2c1 12979797 LKFHMYBVNCYTBK-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1Cl 13284264 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COc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C(C)C)cc1 32744677 PKRUTURDMKONIP-OXJNMPFZSA-N 341.451 4.284 0 40 EIAB CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(Oc2ccccc2)cc1 32960825 USEVFGBXFDSJRU-RDJZCZTQSA-N 325.408 4.118 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC(c2nc3ccccc3o2)CC1 36623845 ONTAGPCVIYKFDO-UAGQMJEPSA-N 338.451 4.360 0 40 EIAB CCc1nc(NC(=O)c2nc(-c3ccccc3)oc2C)sc1C 44701737 WTBZFKZKRJZOGA-UHFFFAOYSA-N 327.409 4.230 0 40 EIAB CC(C)CCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 49466779 WZTNSUYHOMDNFL-RTBURBONSA-N 337.419 4.098 0 40 EIAB Fc1ccccc1NC(=S)NCc1coc(-c2cccs2)n1 54301041 VPGXNLWLERCMPK-UHFFFAOYSA-N 333.413 4.029 0 40 EIAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCCc2ccccc21 57412421 UZYORKQCYYVMMM-UHFFFAOYSA-N 337.810 4.323 0 40 EIAB CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)c(C)c1 58326057 XFLKQYUVWWACSP-ZBFHGGJFSA-N 348.512 4.083 0 40 EIAB CC(C)CCC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 65554149 XTWHJBJRCTXTRH-INIZCTEOSA-N 327.428 4.226 0 40 EIAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 65623649 UVRCHJLMLBDUGI-ZWKOTPCHSA-N 326.827 4.030 0 40 EIAB CC1=NN(c2ccc(C(=O)N(Cc3ccsc3)C3CC3)cc2)CC1 67075108 LDTBYODXIQPMEK-UHFFFAOYSA-N 339.464 4.139 0 40 EIAB Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccn2)n1 69696721 FGIGYCAQVUYYEN-QGZVFWFLSA-N 331.419 4.189 0 40 EIAB O=C(/C=C/c1ccccn1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 69704951 NYEWQQRXBXWDSS-DBTPVHCXSA-N 347.418 4.028 0 40 EIAB Cc1ccsc1-c1nnc(S[C@H](C)c2nc(C(C)C)no2)o1 69773508 XUUJSRJOYPCJKE-SECBINFHSA-N 336.442 4.466 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288651 DUQDHHJTGJMBOK-LRDDRELGSA-N 331.847 4.440 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)cc1 72328936 GISYBRCGYUVYOT-UHFFFAOYSA-N 343.789 4.108 0 40 EIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccco2)n1 72366750 MHQCXMYZJXQRCY-SFHVURJKSA-N 336.439 4.321 0 40 EIAB C[C@@](O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 75155370 JXCPSRVCILRUTK-HXUWFJFHSA-N 337.444 4.053 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccoc1)Cc1cccs1 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EIAB Cc1ccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)cc1C 223412914 SZOLSFQWZJIXCP-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 223748911 WDOFDDJQTYSTEG-UHFFFAOYSA-N 345.508 4.422 0 40 EIAB Cc1ccc(Nc2ccc(NC(=S)NCc3cccnc3)cn2)cc1 223941386 UGIONYATGYPQCY-UHFFFAOYSA-N 349.463 4.015 0 40 EIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 224323149 TZFUCTYXUXRPRJ-RBUKOAKNSA-N 349.459 4.414 0 40 EIAB CC(C)c1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 225726616 WIPAEMLHDNSGBY-IRXDYDNUSA-N 347.572 4.464 0 40 EIAB Cc1cccc2c(C[C@@H](C)NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)c[nH]c12 248339609 TXEHMLKZUFDAAC-SKWUIDRYSA-N 334.463 4.126 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccc(Cl)c2)S1 260759396 GLFJGAVLFDYZGY-HFBAOOFYSA-N 329.856 4.324 0 40 EIAB CCO[C@H](C)c1ncc(-c2nc(-c3ccc(F)c(OC)c3)no2)s1 390833678 LIAXIDMQOHISQU-SECBINFHSA-N 349.387 4.105 0 40 EIAB CCc1nc2ccccc2n1Cc1noc([C@H]2C[C@@H]2c2ccccc2)n1 576968005 MIENWDFKPXZYFO-CVEARBPZSA-N 344.418 4.301 0 40 EIAB Cc1ccc(C(=O)c2cn(CC3CC3)c3ccc(F)cc3c2=O)cc1 1889053498 GLWJMJZMSOXZJV-UHFFFAOYSA-N 335.378 4.090 0 40 EIAB Cc1cnccc1OCC1CCN(Cc2csc(C3CC3)n2)CC1 1889108847 NRBUNUPSSHWFGU-UHFFFAOYSA-N 343.496 4.015 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)c(C)c1 184021 VXYHZELVPLIEFS-UHFFFAOYSA-N 343.477 4.226 0 40 EIAB O=C(c1ccc(Br)o1)N(Cc1ccccc1)CC1CCC1 359161 XXGNOJAXMKVFKH-UHFFFAOYSA-N 348.240 4.485 0 40 EIAB CCCOc1cc(C)c(C(=O)OCC[C@@H](C)N2CCCC2)c(C)c1 1712421 GWKHMNYCAUJWBJ-QGZVFWFLSA-N 333.472 4.123 0 40 EIAB Cc1ccc(-c2nn(-c3ccc(C)cc3)[n+](-c3ccc(C)cc3)n2)cc1 2527996 SJPNPKQNWJJRPX-UHFFFAOYSA-N 341.438 4.136 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2ccccc2OC(F)F)c(C)c1 2641469 VHXYJGKAFCLULJ-UHFFFAOYSA-N 335.350 4.231 0 40 EIAB CC(C)C(=O)Nc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 2729943 HYTDGYWIEZQVPH-INIZCTEOSA-N 338.451 4.032 0 40 EIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 4026844 YAZNTOPQJPATQT-YSNDBMGOSA-N 331.544 4.466 0 40 EIAB biogenic COc1cc(C)c(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC 5616928 PQMQPMRXGWQFSY-UHFFFAOYSA-N 341.741 4.196 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 6010580 QCMVAICAEWYSDB-HNNXBMFYSA-N 333.387 4.448 0 40 EIAB O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1 6270471 IOUXHDURCQLLKJ-UHFFFAOYSA-N 340.429 4.250 0 40 EIAB COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 6608625 XYFICDLVOWHDDM-UHFFFAOYSA-N 333.391 4.011 0 40 EIAB O=S(=O)(NCc1cccs1)c1ccc(C2CCCCC2)cc1 7213628 RXDCRXAJZFJCAJ-UHFFFAOYSA-N 335.494 4.274 0 40 EIAB COc1ccc(CN(CC(=O)c2c(C)[nH]c3ccccc23)C2CC2)cc1 7662027 JVZREJXHIHGEDE-UHFFFAOYSA-N 348.446 4.332 0 40 EIAB CC(=O)Nc1ccc(OC(=O)COc2cc(C)ccc2C(C)C)cc1 7797590 BUXVMLXSXYFUQK-UHFFFAOYSA-N 341.407 4.061 0 40 EIAB CC[C@@]1(c2ccccc2)NC(=O)N([C@H](C)c2ccccc2Cl)C1=O 8187408 WITLVFKLGVTDPQ-YJYMSZOUSA-N 342.826 4.258 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1cc2ccccc2o1 8237506 ZYPCDTGZOYVPCP-LBPRGKRZSA-N 327.405 4.335 0 40 EIAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 8327437 WVNOCKDZGMOKKP-WMZOPIPTSA-N 349.478 4.402 0 40 EIAB Cc1ccc(CCCNC(=O)c2cc(Cl)c3c(c2)OCO3)c(C)c1 8405598 XYLUPQLQPUPVQN-UHFFFAOYSA-N 345.826 4.048 0 40 EIAB CCCCOc1ccc(NC(=O)C(=O)NC[C@H](CC)CCCC)cc1 9232647 ZOOGBLGEXAJSCM-MRXNPFEDSA-N 348.487 4.137 0 40 EIAB COc1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1OC 10323951 ZBTYSMCZMYJFHN-UHFFFAOYSA-N 327.424 4.399 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 10339722 TXWWDYBOLGTKRI-NHCUHLMSSA-N 334.463 4.017 0 40 EIAB COc1ccc(NC(=O)[C@@H](Sc2ccc(OC)cc2)C(C)C)cc1 10974706 MDGLMWIFCHWIRK-SFHVURJKSA-N 345.464 4.459 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 11917206 JBPYRYPEXGSKIM-UHFFFAOYSA-N 345.449 4.306 0 40 EIAB Cc1ccc(CNC(=O)N(C)Cc2ccc(Br)cc2)cc1 13004937 BBSAOOZITMOZLL-UHFFFAOYSA-N 347.256 4.099 0 40 EIAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl 13055722 OIWCBYBVRZEGJY-QWHCGFSZSA-N 341.282 4.444 0 40 EIAB COc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1 13124385 CDRIVDZETXIUJQ-HXUWFJFHSA-N 344.418 4.049 0 40 EIAB COc1cccc2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)oc12 13701265 UUIFNYKZHJNXQF-UHFFFAOYSA-N 347.374 4.188 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13709684 GHDGPWONBKGKBQ-CQSZACIVSA-N 349.883 4.324 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 14219578 JDPOZFMHDUSWIZ-LJQANCHMSA-N 325.433 4.269 0 40 EIAB O=C(c1ccc2ncsc2c1)n1cccc/c1=N\C1CCCCC1 14903735 RTYAVLMQLLBLNS-DYTRJAOYSA-N 337.448 4.020 0 40 EIAB CN1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19588878 YPHCYKYMOIWUBO-IBGZPJMESA-N 345.450 4.439 0 40 EIAB CN(Cc1ccccc1)Cc1c(-c2cccnc2)[nH]c2cccnc12 19717972 CFRWYJLRSRMEKQ-UHFFFAOYSA-N 328.419 4.257 0 40 EIAB COCCOc1cccc(NC[C@H](C)Oc2cc(C)ccc2C)c1 19737576 WNEGJYCQETUENW-KRWDZBQOSA-N 329.440 4.208 0 40 EIAB Cc1cccc(-c2nnc(SCc3cccc(C(=O)O)c3)o2)c1 19927437 IHIZFCFIPTYNBJ-UHFFFAOYSA-N 326.377 4.036 0 40 EIAB CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(C)cc1 20112677 JJRNLJUKNIZUSU-KRWDZBQOSA-N 337.872 4.219 0 40 EIAB CCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 22623684 PFVJIODFSGCADG-CRAIPNDOSA-N 346.515 4.043 0 40 EIAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 23115966 DJRWKFHCYNOAIQ-OAHLLOKOSA-N 341.451 4.076 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cc3cc(Br)ccc3[nH]2)o1 24757176 VSCGFHITZNAOIE-UHFFFAOYSA-N 347.212 4.104 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)c1 25425840 UGEBINYSIAGVRJ-GFCCVEGCSA-N 325.437 4.352 0 40 EIAB CN(Cc1ccc(F)c(F)c1)C(=O)c1cc2ccccc2cc1O 32760770 YJMCYXGELPZFNM-UHFFFAOYSA-N 327.330 4.096 0 40 EIAB O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1ccc(Cl)c(Cl)c1 40165607 LSBCZZFOHWYLKD-JTQLQIEISA-N 346.217 4.390 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(NC(C)=O)cc1 44948087 PPWLQBCOZAHIGD-LJQANCHMSA-N 340.423 4.058 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccsc1)Nc1cc(Cl)ccc1F 48355861 RZTSVJXUPRGCGJ-OAHLLOKOSA-N 338.835 4.316 0 40 EIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)o1 58391339 YZVBERHWTYXGFI-YBZQBRCDSA-N 333.391 4.241 0 40 EIAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cnns1 69349978 OHAGWCMEARKTFT-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CC[C@H]2CCCC[C@H]2C1 71847955 RAEBRTNCRWLDCF-CVEARBPZSA-N 326.440 4.189 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCC2)nc1 72213875 XBUVDBBQOGHUBF-IBGZPJMESA-N 335.451 4.413 0 40 EIAB CC1=NN(c2ccc(C(=O)NCC3CCCCCCC3)cc2)CC1 84677942 CIMFQKHJMXNFMD-UHFFFAOYSA-N 327.472 4.363 0 40 EIAB Cc1ccc(NC(=O)c2occc2Br)c2cccnc12 95409111 SIIYPFGISNCCGM-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB COC(=O)Nc1ccc(CN[C@H](C)c2nc3ccccc3s2)cc1 95420437 UCDGMBCBHXXQIL-GFCCVEGCSA-N 341.436 4.325 0 40 EIAB FC(F)(F)SCCCNCc1cccc(Br)c1 95918381 IWVZSVDVHMRWIJ-UHFFFAOYSA-N 328.197 4.182 0 40 EIAB CO[C@@H](CNC(=O)Cc1cccc2ccccc12)c1cccc(F)c1 96388141 FJJVQCMJJFAAFG-FQEVSTJZSA-N 337.394 4.025 0 40 EIAB O=C(/C=C/c1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423398 ZIWBTGSKTDNGHQ-RXYACCJXSA-N 346.474 4.012 0 40 EIAB O=C(c1ccnc(Cl)c1F)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 108147278 SXDLYHISRGTLHZ-XDQVBPFNSA-N 336.838 4.305 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 224220022 VRIAVZVKQIKNDZ-OALUTQOASA-N 348.475 4.204 0 40 EIAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COC(C)C 224425809 DJSGFESQCINGNU-UHFFFAOYSA-N 335.350 4.151 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224836582 VRRNMSNNMCQUOO-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB CC(C)CSc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 225007016 LUQYHWIZDKLLJK-UHFFFAOYSA-N 345.852 4.331 0 40 EIAB CC[C@H](CNC(=S)Nc1ccc(OC)cc1)Cc1ccccc1 225630121 BONAURVHGOQMPG-HNNXBMFYSA-N 328.481 4.251 0 40 EIAB O=C(/C=C/c1cccs1)N1CCc2cc(-c3ccncc3)ccc21 225638171 VDEJUZUMPAHRHJ-GQCTYLIASA-N 332.428 4.413 0 40 EIAB CN(C(=O)CCc1ccsc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273333050 URFXUYYOTCQXDW-ROUUACIJSA-N 347.455 4.199 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)c(Cl)c1 409237982 KQKVFUAVVUGOKB-VQHVLOKHSA-N 335.762 4.148 0 40 EIAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H](CF)C1 881591709 UOFODNFBVUUGEF-KRWDZBQOSA-N 325.427 4.417 0 40 EIAB CC(C)c1nc2ccccc2n1C1CN(C(=O)CCc2ccccc2)C1 1888947720 QTCFZRZYDSDOJS-UHFFFAOYSA-N 347.462 4.176 0 40 EIAB Cc1ccccc1C1=N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 85151 DUBOBXZVOSUROP-XNTDXEJSSA-N 331.293 4.358 0 40 EIAB Cc1cccc(OC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1 144894 YWTHNVGEAPFZHF-UHFFFAOYSA-N 348.185 4.051 0 40 EIAB Cc1ccc2c(c1)C(=O)N(C(c1ccccc1)c1ccccc1)C2=O 994271 HEEJOGHYXAWZJX-UHFFFAOYSA-N 327.383 4.381 0 40 EIAB CSc1ncc(Br)c(Nc2ccccc2Cl)n1 1678983 MJPBKBVXNDMCAQ-UHFFFAOYSA-N 330.638 4.358 0 40 EIAB COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2365646 XIZHTVBHGRHLID-UHFFFAOYSA-N 345.855 4.436 0 40 EIAB COC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 3286967 KWONYMDDUIPMLW-CQSZACIVSA-N 340.419 4.421 0 40 EIAB CC(=O)[C@H](Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 3846268 MLDOKSZBQXTHTP-XFWGSAIBSA-N 330.468 4.438 0 40 EIAB biogenic CCOC(=O)c1cc(O)c2c(ccc3[nH]c(-c4ccccc4)cc32)n1 4626515 QZLPVSPLBKZIQE-UHFFFAOYSA-N 332.359 4.265 0 40 EIAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 4816494 CDSJKPYQZWHOFL-RTBURBONSA-N 346.434 4.064 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc3ccccc23)cc1 5545922 UIHDWDWOZXUPIA-OAHLLOKOSA-N 325.433 4.188 0 40 EIAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 5998878 OVWYYBVSQXUHFG-UHFFFAOYSA-N 329.812 4.100 0 40 EIAB O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccccc2)CC1 6124620 CATSCFAZEUAQPD-UHFFFAOYSA-N 342.442 4.316 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)[nH]c2c1 6292180 NDZXEAVXECABOO-BFHYXJOUSA-N 331.485 4.047 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 6931497 IXTYSNYUEFIIOH-MRXNPFEDSA-N 341.426 4.074 0 40 EIAB CCOc1cc(C)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1C(C)C 6958311 GWEUSOGZDZHVTD-BOPFTXTBSA-N 340.467 4.483 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc2ccccc2c1 7405587 JFYWCCJTBPQXDT-UHFFFAOYSA-N 335.787 4.433 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Br)cc1 7645573 JUJDOLOQJCNRDV-SECBINFHSA-N 340.167 4.218 0 40 EIAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)C1CCC1 7924009 CHPRXZSKNAHEQB-UHFFFAOYSA-N 343.271 4.373 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2c3c(cccc13)CC2 8768006 KIUKITHIPKMEDO-CQSZACIVSA-N 331.415 4.438 0 40 EIAB O=C1COc2ccc(-c3csc(-c4cccc(Cl)c4)n3)cc2N1 9314211 PPRLKBHMMONGSW-UHFFFAOYSA-N 342.807 4.461 0 40 EIAB O=C(NCCCN1CCCCCC1)c1ccc(-c2ccccc2)cc1 10111116 RZXHHNAJIMFLID-UHFFFAOYSA-N 336.479 4.350 0 40 EIAB Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 10351410 YKBYCKPRRQPDIL-SCLBCKFNSA-N 344.405 4.341 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cl)cc1Cl 10543014 OABYXKBQJKTLII-AWEZNQCLSA-N 343.298 4.378 0 40 EIAB Cc1ccc(CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1 12188087 DOWGVQMCRMCPPN-NRFANRHFSA-N 344.458 4.492 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc2ccccc2c1 12803082 DUIPZCRAPQMOTE-UHFFFAOYSA-N 346.430 4.161 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2F)c(OC)c1 12816746 KMIHJFXZEMQXLD-XBXARRHUSA-N 335.762 4.148 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)SCc2ccccc2)c1 13632725 LXCJJHPKIFXILX-KRWDZBQOSA-N 327.493 4.366 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1 13989476 QTMMEXYUEBKZBL-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1c(F)cccc1F 15011106 VELAORSAGFLRJK-RMKNXTFCSA-N 325.261 4.218 0 40 EIAB Fc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 16283037 QXFAGQNAMXHBQN-UHFFFAOYSA-N 328.334 4.331 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20141462 LWQGBQOFLRXCBN-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 20851753 OCYISIKZMCKLQA-UHFFFAOYSA-N 329.450 4.125 0 40 EIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(Cl)ccn1 22581229 RCVMXDASTUBRPY-UHFFFAOYSA-N 340.814 4.063 0 40 EIAB CCSc1ccccc1C(=O)OCc1cc(-c2ccco2)on1 22768984 MBTMWCKTNVXZJR-UHFFFAOYSA-N 329.377 4.404 0 40 EIAB O=C(CSCc1ccccc1F)N[C@@H]1CCCc2ccccc21 23410958 CWMBJUHMLQGRHY-GOSISDBHSA-N 329.440 4.253 0 40 EIAB CC(C)OCc1ccccc1CNC(=O)c1ccc2ccccc2n1 31340606 FKVJRKPOPQUZKQ-UHFFFAOYSA-N 334.419 4.090 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)C1=Cc2ccc(C)cc2OC=C1 33324426 KMDUQVGRTCMTMT-UHFFFAOYSA-N 349.386 4.100 0 40 EIAB CCC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccccc1 39975793 UVOMUXWMUUXPKV-NCUBBLFSSA-N 337.419 4.129 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)CCC2CCCC2)cc1OC 40042745 XVOLYVHDQYSQSM-QGZVFWFLSA-N 331.456 4.338 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)ccc2o1 40135214 YNFCUURAQWRQST-UHFFFAOYSA-N 338.411 4.217 0 40 EIAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c2ccccc12 41095624 XQQFCWUNDIOSPY-UHFFFAOYSA-N 337.872 4.446 0 40 EIAB NC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 41127427 YYPLWWIGODYGEY-UHFFFAOYSA-N 328.371 4.190 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 44901506 RNRLEFVRQLOEFB-YJBOKZPZSA-N 327.424 4.038 0 40 EIAB COc1ccccc1N1C(=O)/C(=C\c2ccc(C)s2)SC1=S 47080726 URNPDKVRLNJCGB-NTEUORMPSA-N 347.486 4.471 0 40 EIAB COc1ccc(OC)c(-c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 48057033 QQQXKYKTPGSYCP-UHFFFAOYSA-N 330.767 4.439 0 40 EIAB biogenic CCCCCOc1ccc([C@H](C)NC(=O)c2ccncc2)cc1OC 48518143 CMEHIQZEBGBCBE-HNNXBMFYSA-N 342.439 4.150 0 40 EIAB Cn1c([C@H]2CCN(Cc3cc4ccccc4o3)C2)nc2ccccc21 49171211 XZXQQHOTJSWXRX-INIZCTEOSA-N 331.419 4.309 0 40 EIAB biogenic,in-vitro COc1ccc(CCC(=O)N2CCC[C@H]2c2ccccn2)cc1Cl 55520193 GTXMSTVKDWVXJM-KRWDZBQOSA-N 344.842 4.040 0 40 EIAB Cc1cc2cc(NC(=O)c3ccc4nc(C)c(C)nc4c3)ccc2[nH]1 58005019 ZHYFGGQLDCWWAI-UHFFFAOYSA-N 330.391 4.289 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 58780595 JIRQCPHRCUEVBE-UHFFFAOYSA-N 325.408 4.154 0 40 EIAB CCC(=O)Nc1ccc2nc(SCc3ccccn3)sc2c1 59417554 ROZSHKKLRDJVJN-UHFFFAOYSA-N 329.450 4.332 0 40 EIAB COc1nc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc2ccccc12 69350243 ZZAGEFZEEBBWFN-ZDUSSCGKSA-N 346.386 4.481 0 40 EIAB COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)c(F)c1 69414258 WHSJGBZWKAMYCJ-HNNXBMFYSA-N 348.399 4.043 0 40 EIAB Cc1ccc(-n2nnnc2SCc2ccc(Cl)s2)cc1C 69640227 UGSFDVCURBXOPL-UHFFFAOYSA-N 336.873 4.286 0 40 EIAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccccc1 71326680 YBFSBLNQBRAMCK-UHFFFAOYSA-N 329.469 4.126 0 40 EIAB c1ccc(-n2cc(CCNCc3cccc4ccccc34)cn2)cc1 71844488 PYEIQLBWBYORFD-UHFFFAOYSA-N 327.431 4.358 0 40 EIAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1F 75126335 ZQAMZMOUOOUQIV-UHFFFAOYSA-N 339.370 4.153 0 40 EIAB CCOC[C@H]1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 81607906 HUOJQGBSXXTOFK-AWEZNQCLSA-N 338.407 4.476 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 89262311 GHDFYDUUPGACHP-UHFFFAOYSA-N 334.253 4.121 0 40 EIAB O=[S@](Cc1cccc(NCc2cccc(O)c2)c1)c1ccccc1 95429125 VIMKJLVCCJWBOL-DEOSSOPVSA-N 337.444 4.312 0 40 EIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222858980 ZJCFISJJUORPEJ-KGLIPLIRSA-N 337.901 4.179 0 40 EIAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223151457 MEFKKNKFGAHDSA-HNNXBMFYSA-N 325.477 4.453 0 40 EIAB Fc1ccc(C2(CNC(=S)Nc3ccncc3)CCCC2)cc1 223982582 IHBHLTDATJFXBP-UHFFFAOYSA-N 329.444 4.019 0 40 EIAB CCCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224273487 VCLZFSCUPIHQJM-UHFFFAOYSA-N 341.451 4.339 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 224338825 GMVBDYNBUNKYOW-ZDUSSCGKSA-N 349.883 4.188 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccc(Cl)cc1 224433178 ZKUMJHBURWBUKI-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(C)cc1C 224527702 CYDXLPQFOSMGHS-IBGZPJMESA-N 325.452 4.430 0 40 EIAB Cc1cccc(OCCNC(=O)CCc2ccc(C(C)C)cc2)c1 224596952 WCRDZDFWIPIIKW-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1C 224602238 JCGYDCWLJCHCOG-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB Cc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 224737358 ZSHIVTVCJLAMLL-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(SC)cc1 224973407 GRNRGXPBZIGELI-UHFFFAOYSA-N 335.494 4.186 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccccc1Cl 253473507 VRHFWFAIKCHLQC-ZDUSSCGKSA-N 327.811 4.376 0 40 EIAB CCc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1 257209375 BQDFLUOXGJRJPP-MMXRJIGESA-N 341.495 4.268 0 40 EIAB O=C(CCc1ccsc1)N(Cc1ccc(F)cc1)C1CCOCC1 277147170 PQNQNGGRADRGNL-UHFFFAOYSA-N 347.455 4.028 0 40 EIAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 408901016 BNGSXLIDMBTWFH-NTEUORMPSA-N 331.780 4.287 0 40 EIAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 531248728 TXXPVFWRGZYPPV-UHFFFAOYSA-N 341.310 4.252 0 40 EIAB CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 1180902693 YDPOBPNVFKJQMF-HNNXBMFYSA-N 339.435 4.034 0 40 EIAB CC(C)(C)c1cc(C(=O)O)n(Cc2ccc(Cl)cc2Cl)n1 128351 VQNZMDMWUNBVGO-UHFFFAOYSA-N 327.211 4.234 0 40 EIAB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nncs2)cc1 148490 ZOBQDGATRFNQSQ-UHFFFAOYSA-N 347.484 4.269 0 40 EIAB CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@@H]2C 518318 KPUIORAMYKZOGW-DFMFOVPYSA-N 329.440 4.489 0 40 EIAB O=C1O[C@H](CC(=O)c2ccc(Cl)c(Cl)c2)C(Cl)=C1Cl 1622430 HFXAUIWUJBKNPR-SECBINFHSA-N 339.989 4.181 0 40 EIAB CCN(CC)CCOC(=O)C1[C@H]2c3ccccc3-c3ccccc3[C@H]12 1699487 IEEYLWQONYFJSB-PMACEKPBSA-N 335.447 4.049 0 40 EIAB CCCOc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2126901 AIOZFGZKEWRHJS-UHFFFAOYSA-N 348.354 4.355 0 40 EIAB biogenic CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 3336802 CGSWSCOHXRDJCZ-UHFFFAOYSA-N 342.464 4.143 0 40 EIAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccc(C)cc2)C1 4713213 UCYWDXGWUDLHAW-LJQANCHMSA-N 342.826 4.106 0 40 EIAB Cc1noc(C)c1COC(=O)c1cc(-c2ccco2)nc2ccccc12 4871072 IDTPUPPLPOQCRC-UHFFFAOYSA-N 348.358 4.457 0 40 EIAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3F)c2O1 6388559 JGCYUNLMNOENCV-UHFFFAOYSA-N 349.789 4.210 0 40 EIAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)c(F)c1 6623461 RXZMPZUMTLDFGK-UHFFFAOYSA-N 345.370 4.433 0 40 EIAB CC(=O)c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 7029380 QOUMDLMWFUNZEP-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB COc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 7053456 VRDXXGOQEXKWKB-UHFFFAOYSA-N 333.453 4.038 0 40 EIAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2)c(F)c1 7275097 BNHSCWDTOGUCNV-UHFFFAOYSA-N 340.398 4.106 0 40 EIAB Cc1cc(C)nc(NN=Cc2ccccc2OCc2ccccc2)n1 8306368 NWFHWIJRCYRLGB-UHFFFAOYSA-N 332.407 4.118 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1C 8326306 NXDZMLWPPGVODF-UHFFFAOYSA-N 342.483 4.123 0 40 EIAB Cc1cc(C)cc(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)c1 8742750 ARZXQXRYFQLUKD-UHFFFAOYSA-N 340.814 4.182 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(Cl)s1 11092138 MCDIOADBHYCTEQ-UHFFFAOYSA-N 331.872 4.494 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1 11171495 NBBVKDVHJFJDQA-HNNXBMFYSA-N 327.424 4.364 0 40 EIAB C[C@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12736484 WNNAXJRUAKSABZ-JTSKRJEESA-N 348.490 4.222 0 40 EIAB Cc1cc(Cl)ccc1NCC(=O)N1CCSc2ccccc21 12852341 DHBWCZHNTBGFNW-UHFFFAOYSA-N 332.856 4.199 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2c1 12978615 GWZPFFZIIUWFKD-CQSZACIVSA-N 337.394 4.407 0 40 EIAB C[C@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 13154050 XBQQSKDHKLLHLN-JTDSTZFVSA-N 341.476 4.156 0 40 EIAB Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1-c1nccs1 14229661 SCJHFLSCQHWRHG-UHFFFAOYSA-N 330.482 4.274 0 40 EIAB COc1ccc(-c2cc3ncnc(NCc4cccnc4)c3s2)cc1 15111910 CAGGRZWLQTVPDT-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1ccc(Cc2ccncc2)cc1 15941015 SNZYGOAJPOCQOJ-DHZHZOJOSA-N 344.414 4.333 0 40 EIAB CC(C)Oc1ccc(CNC(=O)COc2cccc3ccccc23)cc1 20452754 IPHAGSYHGRZVFK-UHFFFAOYSA-N 349.430 4.322 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccccc1OC 22527632 VPVMSSCNNOQFRP-LJQANCHMSA-N 341.451 4.128 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2sccc2C)c1 22703840 ZOXQOIXBEOBGGG-OAHLLOKOSA-N 331.437 4.051 0 40 EIAB O=C(Cc1ccsc1)Nc1cccc(NC(=O)c2cccs2)c1 24033197 XOAZYYZEHYCXHY-UHFFFAOYSA-N 342.445 4.243 0 40 EIAB Cc1cc2ccccc2n1CC(=O)OCc1coc(-c2ccccc2)n1 25191063 NEHMKBQSHXXSMY-UHFFFAOYSA-N 346.386 4.348 0 40 EIAB O=S(=O)(c1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 27562093 FBPXIPBEGVEVFB-UHFFFAOYSA-N 335.837 4.296 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)c1cccc2c3c([nH]c12)CCCC3 27602343 YQZKXFWPUHRHEM-IBGZPJMESA-N 346.430 4.300 0 40 EIAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)NC1CCCCC1 28234349 FQGVRLPLTQYILW-UHFFFAOYSA-N 332.835 4.039 0 40 EIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)[C@@H]1C[C@@H]1c1ccccc1 28241806 YXFOTMPWWXBDAU-QZTJIDSGSA-N 337.810 4.268 0 40 EIAB C[C@@H]1c2cccn2CCN1C(=O)c1cc2c(ccc3ccccc32)[nH]1 30799742 QOBZLEWVXKYENW-CQSZACIVSA-N 329.403 4.340 0 40 EIAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 32416178 OTBWSBUAAPVIJB-ROUUACIJSA-N 342.483 4.148 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccccc1 38754280 VKWLCFHFKLTVFL-QGZVFWFLSA-N 349.883 4.406 0 40 EIAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1C 50547860 QAGRYUNVCRUQBZ-YBEGLDIGSA-N 340.404 4.098 0 40 EIAB c1cncc(COc2ccc(CNc3ncnc4ccccc34)cc2)c1 52187213 TVGACOGQYCKVHK-UHFFFAOYSA-N 342.402 4.216 0 40 EIAB COc1cccc(CC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1 54672639 DTESJWXAVZDWIV-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB Cc1noc(Cl)c1CC(=O)Nc1ccc(SC(F)F)cc1 58342807 VVDQQHBPZXWNPP-UHFFFAOYSA-N 332.759 4.132 0 40 EIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c(C)noc1C 58923415 QJDRATJTPCMKMV-QUCCMNQESA-N 340.467 4.409 0 40 EIAB CCN(C(=O)c1cccc(C)n1)[C@@H](c1ccncc1)c1ccc(F)cc1 65531746 IDXYEGSNTAULJR-HXUWFJFHSA-N 349.409 4.176 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccc(CSc2ncn[nH]2)cc1 65548031 LIUPZXPNLXEIEX-UHFFFAOYSA-N 344.827 4.003 0 40 EIAB COc1nc(C(=O)Nc2ccc3ccccc3n2)cc2ccccc12 65552076 KDCROARGMKCJGD-UHFFFAOYSA-N 329.359 4.044 0 40 EIAB CCCc1noc(CCC(=O)N2CCCCC[C@H]2c2ccc(C)o2)n1 72291603 NFGZLHNAAOPFLP-HNNXBMFYSA-N 345.443 4.000 0 40 EIAB CC(C)(C)c1ccc(NC(=O)CN2CCC[C@H]2c2ccccn2)cc1 72311938 PLQZZCVBTKEHEP-IBGZPJMESA-N 337.467 4.155 0 40 EIAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccc(F)cc2F)C1 72404772 QLVJFMVDUALHGU-ZDUSSCGKSA-N 345.374 4.395 0 40 EIAB CC[C@H](NC(=O)Nc1c(C)noc1C)c1nc(C(F)(F)F)cs1 72941870 UJVXLCRGVJNWEV-QMMMGPOBSA-N 348.350 4.040 0 40 EIAB CC(C)(C)c1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1 77167379 PAAAKXVGNKGAIR-UHFFFAOYSA-N 338.436 4.150 0 40 EIAB CCn1cc(CC(=O)Nc2ccnn2[C@H](C)C2CC2)c2ccccc21 83843382 NISTYTGQQCXBKK-CQSZACIVSA-N 336.439 4.010 0 40 EIAB CC(C)CC(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 95461565 JUSHNMWPKVYQOI-HXUWFJFHSA-N 346.515 4.451 0 40 EIAB CS[C@@H]1CCCC[C@H]1NCC1(c2ccc(F)cc2)CCOCC1 95967432 MUNJNPOELPDDNT-QZTJIDSGSA-N 337.504 4.138 0 40 EIAB CCOc1c(Cl)cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc1OC 96939749 NPIPVQHMWJKFJC-XYOKQWHBSA-N 337.803 4.090 0 40 EIAB CCOc1ccc(N[C@@H](C(=O)N(CC)CC)c2ccccc2)cc1 98081134 FCOVQNAMXQTMHA-LJQANCHMSA-N 326.440 4.107 0 40 EIAB COc1cccc(CN2[C@H]3CC[C@H]2c2cnc(C(C)C)nc2C3)c1F 100205199 FUXJCRWCZHLDFK-YOEHRIQHSA-N 341.430 4.010 0 40 EIAB C/C(O)=C1/C(=O)N[C@@]23CCCC[C@@H]2[C@H]1c1c(ccc2ccccc12)O3 104909002 VNQCWSVDGGLWRJ-NYGHRBEISA-N 335.403 4.164 0 40 EIAB Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)o1 127589261 VZTGMAFFVRKRBC-YJLNNSPDSA-N 342.439 4.177 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)Cc3ccsc3)C2)cc1 206885653 AJQCMPNKLSXUIT-QGZVFWFLSA-N 329.465 4.096 0 40 EIAB Cc1ccc(SCCNC(=O)COc2ccc(C(C)C)cc2)cc1 218958528 ULHNEKMVNNWHDI-UHFFFAOYSA-N 343.492 4.406 0 40 EIAB Cc1ccccc1OCCNC(=O)CCSc1ccc(Cl)cc1 223418099 LBBWSVKTHMCQFT-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(COC)c1 224446199 SRSSUPITKRHSCU-QGZVFWFLSA-N 333.815 4.283 0 40 EIAB CCc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 224947963 HUWPNTCBQOWUOK-UHFFFAOYSA-N 337.448 4.257 0 40 EIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 225623736 ZIEGLDYGANETAC-LJQANCHMSA-N 337.460 4.026 0 40 EIAB CCn1c(-c2ccc(Oc3cnccn3)cc2)nc2ccc(F)cc21 502775694 CCWWNZJMFULHCR-UHFFFAOYSA-N 334.354 4.445 0 40 EIAB Cc1cccc(C)c1NC(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 585119407 GPSJFEKSOUQOEP-QAQDUYKDSA-N 338.455 4.243 0 40 EIAB COc1ccc([C@@H](C)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1 641902104 JPCDTLYFQNFBQN-CQSZACIVSA-N 346.858 4.289 0 40 EIAB O=C(CCC1CCCCC1)N[C@H]1CCc2ccccc2-n2ccnc21 1539798852 GTGZGXRGAHGKRI-SFHVURJKSA-N 337.467 4.336 0 40 EIAB C[C](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O 1560411710 ATPRQHADNBOPHU-UHFFFAOYSA-N 343.746 4.091 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(C)cc2Br)c(C)c1 38441 HJUCZDQAZOHOCY-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)c1 190703 JGYYEPUNADLSQD-XNTDXEJSSA-N 342.192 4.102 0 40 EIAB CCOC(=O)[C@@H](C)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 217524 OIJYVDPIXJLOFZ-CQSZACIVSA-N 346.423 4.020 0 40 EIAB CCSc1nnc(COc2cccc(C)c2)n1Cc1ccccc1 419612 WIWMRAPSUPOIEB-UHFFFAOYSA-N 339.464 4.326 0 40 EIAB CC(C)(C)C(=O)CSc1nnc(Nc2ccccc2F)s1 3464468 VHVIAPKPRCUTNJ-UHFFFAOYSA-N 325.434 4.128 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1ccccc1 4135297 UMWWBJCIPYLNCL-OUKQBFOZSA-N 335.359 4.261 0 40 EIAB COC(=O)c1ccsc1NC(=O)c1cc(Cl)sc1Cl 4281405 JAXCPSQMIRZIEA-UHFFFAOYSA-N 336.221 4.155 0 40 EIAB CC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 4826950 PFTHBILYDOUMPH-UHFFFAOYSA-N 333.840 4.415 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1nc2ccccc2s1 5062671 CIJCSNHYAHRNAI-OLZOCXBDSA-N 334.510 4.224 0 40 EIAB COc1cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2cc1OC 5346733 JZFPTZZYRWZVGU-UHFFFAOYSA-N 330.771 4.091 0 40 EIAB CO[C@@]1(c2ccccc2)O[C@H]2OCC[C@H]2[C@H]1c1ccc(Cl)cc1 5810601 UCARDUKNNKSRCJ-MANSERQUSA-N 330.811 4.316 0 40 EIAB CCCCCC(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 6263974 QNUAMLWXWCLECS-UHFFFAOYSA-N 341.889 4.343 0 40 EIAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 6383981 BBEFAKISIFKUDD-ZDUSSCGKSA-N 346.386 4.006 0 40 EIAB O=C(OCc1cn2cc(Cl)ccc2n1)c1cc2c(s1)CCCC2 6653584 UPUZUUNIFOTLIU-UHFFFAOYSA-N 346.839 4.285 0 40 EIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 6919774 JHVQUIMLCZXUTO-ZDUSSCGKSA-N 339.460 4.497 0 40 EIAB Cc1cc(=O)n2nc(CSc3ccc(C(C)(C)C)cc3)sc2n1 7359797 YPUOPPFYFAJLPB-UHFFFAOYSA-N 345.493 4.049 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1 8049025 CEYCSNHQLPPLLK-QGZVFWFLSA-N 347.455 4.033 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 8735801 RKBHKCZCGQVVDJ-KBPBESRZSA-N 335.831 4.070 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCc3cccs3)cs2)cc1 9306836 QXZKESZVMXSKMI-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB COc1ccc(C)cc1/C=C/C(=O)N1CCc2[nH]c3ccccc3c2C1 9902191 RUIGCTGPUTZYCR-CSKARUKUSA-N 346.430 4.083 0 40 EIAB O=C(NCCCN1CCc2ccccc21)c1ccc(Cl)cc1Cl 10113724 IMNJVPRGEPOBGW-UHFFFAOYSA-N 349.261 4.176 0 40 EIAB Cc1nc(/C=C/C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cs1 10260127 VGAMMWFXZRVJHA-ONEGZZNKSA-N 330.497 4.140 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 10429476 QXMUUFUIUZWQOA-UHFFFAOYSA-N 336.435 4.197 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C)cc2)c1 10445592 ZCEARHYBSSRNIF-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB CCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 11914981 GLKRLHLNQPIXHB-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3Cl)c12 12820464 WFHJDDFDVNTXKS-UHFFFAOYSA-N 327.771 4.314 0 40 EIAB CC(=O)c1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 12878618 MLWUVYLPFSPDLP-UHFFFAOYSA-N 328.418 4.327 0 40 EIAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc2c(s1)CCC2 12879049 ZRCBRBMVICUVPJ-UHFFFAOYSA-N 330.453 4.081 0 40 EIAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(C)cn3)s2)c1 13727681 XZNDIQBTDKIKPK-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB O=C(Nc1ccc(C2=NCCO2)cc1)Nc1cccc2ccccc12 16544983 PYTDQEWXZBZMLS-UHFFFAOYSA-N 331.375 4.261 0 40 EIAB Cc1ccc(C2(CNC(=O)c3ccc(C)c(C)c3)CCOCC2)cc1 16970714 GVGXCJIFEZXDEC-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1 20141917 MDUPQHJPPRJTGH-ZDUSSCGKSA-N 327.380 4.123 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 20450818 FKASIPXKWWPYQY-BEFAXECRSA-N 329.415 4.477 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C)cc1 20487072 GXPRCYBHHANCFO-HXUWFJFHSA-N 325.452 4.210 0 40 EIAB Cc1cccc(-n2ncc3c2C[C@@H](c2cc(F)cc(F)c2)CC3=O)c1 20632818 ACRLKPBDBPFCMD-CQSZACIVSA-N 338.357 4.372 0 40 EIAB Cc1ccc2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3)[nH]c2c1 22045989 MOAOVYSOTOYTSE-KGLIPLIRSA-N 339.464 4.229 0 40 EIAB CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 23154273 ITWUFOOHZOTECL-LJQANCHMSA-N 349.478 4.282 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@@H]21 25530095 WLTGVPPFUWPJRC-HIFRSBDPSA-N 330.453 4.127 0 40 EIAB Cc1nc(COc2cccc(/C=C/C(=O)N3CCCCC3)c2)cs1 29651658 LDTBIRVTNPLVAI-CMDGGOBGSA-N 342.464 4.056 0 40 EIAB COc1ccccc1CCC(=O)Oc1ccc(Cl)c2cccnc12 32666035 KPBATEJQABNIOP-UHFFFAOYSA-N 341.794 4.435 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2Cl)cc1F 32745004 UINJEVRQLOACNN-VIFPVBQESA-N 325.742 4.118 0 40 EIAB CCCC[C@H](CC)CNC(=O)N1CCN(c2ccccc2C)CC1 32801794 GJPCWDNPCIUNCL-SFHVURJKSA-N 331.504 4.043 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccccn1 32845906 MZZJIHWLTQBVSH-FQEVSTJZSA-N 328.371 4.347 0 40 EIAB COc1cccc(COCc2ccc(Cl)c(Cl)c2)c1C(=O)O 35973492 RIEKTCSRYICHDU-UHFFFAOYSA-N 341.190 4.417 0 40 EIAB COc1ccc(C(=O)NCCSCc2ccccc2)cc1Cl 41304026 FOUXZTMZJAXDLH-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB O=C(NCC1(c2ccccc2)CCCCC1)c1cccnc1S 48342788 BQCLENMTLRCXPW-UHFFFAOYSA-N 326.465 4.002 0 40 EIAB CC(C)Cc1csc2nc(-c3cnc4ccccc4c3)[nH]c(=O)c12 55191866 NHZGCTJRUOMQLC-UHFFFAOYSA-N 335.432 4.398 0 40 EIAB Cc1ccc2c(CN3CCC[C@@H]3c3ccc(O)cc3)cc(=O)oc2c1 58424495 CXFYSSWGYPELFQ-LJQANCHMSA-N 335.403 4.144 0 40 EIAB O=C(Nc1ccccc1OC1CCCC1)N[C@H]1COc2ccccc21 58629314 JNUBADSNLPWRMD-KRWDZBQOSA-N 338.407 4.263 0 40 EIAB CC(C)NC(=S)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 60544704 UCNUOCNKAWGIIO-JAGHRAMZSA-N 336.504 4.156 0 40 EIAB C[C@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H](c2ccccc2)O1 62515460 HCIAPUDCQYPYOG-KBXCAEBGSA-N 341.476 4.229 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)N(C)Cc3cccs3)c2)o1 66957875 GFGGQBGPJQDUAR-UHFFFAOYSA-N 327.409 4.375 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2cccnc2)S1 71285299 HVGXUNTUULBJDG-OAHLLOKOSA-N 328.441 4.375 0 40 EIAB O=C(C1=Cc2ccccc2OC1)N(Cc1ccco1)c1ccccc1F 71801108 XWKRACQPQSMINZ-UHFFFAOYSA-N 349.361 4.428 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccccc1C(F)(F)F 72331739 WXPFAWOSTJIKGI-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB CCn1cc(CC(=O)NCc2nc3ccccc3s2)c2ccccc21 83843379 PTZNTYMYVGWEDI-UHFFFAOYSA-N 349.459 4.130 0 40 EIAB C[C@H](c1ccc2ccccc2c1)N(C(=O)NCc1nccn1C)C1CC1 86392638 MQJUOPHGIABXNA-OAHLLOKOSA-N 348.450 4.009 0 40 EIAB COc1ccccc1[C@H]1CCCN1C(=O)Nc1cnn(C(C)(C)C)c1 93282995 CHLWFZDYEDAZAR-MRXNPFEDSA-N 342.443 4.016 0 40 EIAB CS[C@@H](C)CCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C 95995815 QHOWWSIOZPFLPP-AWEZNQCLSA-N 337.485 4.132 0 40 EIAB O=C(Cc1cccs1)N(Cc1cnc2ccccn12)c1ccccc1 96102997 BCLNBGQWRBLFIK-UHFFFAOYSA-N 347.443 4.172 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@@](C)(CC)c1nccs1 96418001 NIBDMJKVYKHWSS-KRWDZBQOSA-N 333.457 4.127 0 40 EIAB COC1CCC(N(C)C(=O)c2ccc(Oc3ccccc3)o2)CC1 96451308 HGYXRHKJGLPWBI-UHFFFAOYSA-N 329.396 4.102 0 40 EIAB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(CC)cc1 97105875 ZZZMJOOFQYBVTF-FQEVSTJZSA-N 336.435 4.345 0 40 EIAB Cc1cc(N(C)C)cc(C)c1NC(=O)Nc1ccc(O)c(Cl)c1 97117467 LTFSMMIUPNFMJU-UHFFFAOYSA-N 333.819 4.372 0 40 EIAB CCOc1ccc(CNc2ccc(OC)cc2)cc1Br 106979942 IWMGSTLDFHJEEO-UHFFFAOYSA-N 336.229 4.469 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CCCc2ccccc21 113950865 SXMVFWSPBPSMIQ-PMACEKPBSA-N 339.435 4.046 0 40 EIAB Cc1ccc(CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 218806714 GZJXPSKVNIGLMA-UHFFFAOYSA-N 339.479 4.382 0 40 EIAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccccc2)cc1C(C)C 223303771 KWRFRMXEDLLEDI-OAHLLOKOSA-N 347.480 4.167 0 40 EIAB COc1ccc(C(=O)NCCSCc2ccccc2C)cc1Cl 223307934 XVAOMHJJEMETHD-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=S)Nc2ccc(F)cc2)cc1 223661092 DLWYUZSODPBVIV-UHFFFAOYSA-N 346.471 4.489 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 224923794 AQBDEVVCZOHCSS-MRXNPFEDSA-N 338.451 4.255 0 40 EIAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccs1 225139133 CSKXYXXEXRNISK-UHFFFAOYSA-N 336.265 4.270 0 40 EIAB CCCc1occc1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 225603689 CISIFLKVHZICPP-UHFFFAOYSA-N 329.400 4.014 0 40 EIAB O=C(COc1cccc2c1CCCC2)Nc1ccc(F)c(Cl)c1 225677899 YORUDDXPWPNLDZ-UHFFFAOYSA-N 333.790 4.375 0 40 EIAB COc1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)cc1 225702551 CFRSGTLLGOMNPR-SFHVURJKSA-N 342.464 4.068 0 40 EIAB Nc1cc(Cl)ccc1-c1ccc(C(=O)N2CCc3ccccc32)o1 226304278 QIHGIZJOANNHOM-UHFFFAOYSA-N 338.794 4.385 0 40 EIAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(C2CCC2)CC1 306144098 YWDGQFJDYQHYMW-UHFFFAOYSA-N 337.467 4.367 0 40 EIAB Cc1ccc(N2C(=N)S/C(=C/c3cccc(F)c3)C2=O)cc1C 408974480 AHKXLNMVMTZGJV-MSWOZKQMSA-N 326.396 4.498 0 40 EIAB C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 1136576640 LVSMHJHGKNRLHE-GOSISDBHSA-N 348.446 4.221 0 40 EIAB CN(Cc1cccc(O)c1)C(=O)c1cc(-n2cccc2)ccc1Cl 1588150148 KGRLLHUCNODBRJ-UHFFFAOYSA-N 340.810 4.109 0 40 EIAB O=C(Nc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975389 FZRIWNLKKGIIQD-GJZGRUSLSA-N 348.809 4.076 0 40 EIAB CC(C)(C)C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888856766 DCJFZQJCJPGEEA-UHFFFAOYSA-N 331.847 4.035 0 40 EIAB CC(C)(C)C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889664878 NOENOKGOIVCWQD-UHFFFAOYSA-N 337.467 4.259 0 40 EIAB CCOc1cccc2sc(NCC(=O)c3ccc(C)cc3)nc12 151676 XZLVUVRMXKGQAC-UHFFFAOYSA-N 326.421 4.298 0 40 EIAB Cc1nn(Cc2cccc(C(=O)Nc3ccccc3)c2)c(C)c1Cl 1069220 ULSUTWURFVJEFR-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB FC(F)(F)c1cccc(Cn2nnnc2-c2ccc(Cl)cc2)c1 1405209 LRNADKBFOHKUNF-UHFFFAOYSA-N 338.720 4.061 0 40 EIAB COc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 2426708 XEPONGAGERMXIZ-LSDHHAIUSA-N 336.218 4.221 0 40 EIAB COc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1 2658469 IKLKRZNNBRANIY-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB Cc1nn(C)cc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 2799066 ATHXWEZIELENDS-UHFFFAOYSA-N 348.781 4.210 0 40 EIAB COc1ccc(OC(F)(F)C(=O)Nc2ccc(C)c(Cl)c2)cc1 3116787 LAGWRHGECJNRAR-UHFFFAOYSA-N 341.741 4.267 0 40 EIAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1Cl 3529732 SQWBNDFSODLCJT-MRVPVSSYSA-N 344.219 4.239 0 40 EIAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2CCCC[C@@H]2C)CCCC1 3648938 NMVJJEDURJILIY-ZWKOTPCHSA-N 340.511 4.064 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1C(F)(F)F 4079005 KBYNWDSDBYWGIF-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccco3)o2)c1 4107288 APFXJWGEKQGRAA-UHFFFAOYSA-N 341.367 4.151 0 40 EIAB Fc1ccc(-c2nnc(Nc3nc4ccc(F)cc4s3)o2)cc1 4137791 XLFLLJKXDVPFRF-UHFFFAOYSA-N 330.319 4.368 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 4314908 DHASWEGXXIFJKR-UHFFFAOYSA-N 333.435 4.200 0 40 EIAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 4854174 PPAFAOPHTZRXQW-HXUWFJFHSA-N 331.419 4.434 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 5616248 AGAPRTHFTOFNDX-SFHVURJKSA-N 325.408 4.059 0 40 EIAB CCc1ccc(C2=C(C)SNC(NC3=NCCCCC3)=N2)cc1 5667384 YEGJAKDAGDHRLP-UHFFFAOYSA-N 328.485 4.107 0 40 EIAB CCOc1ccc2nc(NC(=S)NC3CCCCC3)sc2c1 6554592 GVUYIDQLYITTSY-UHFFFAOYSA-N 335.498 4.314 0 40 EIAB COc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 6759879 JTFLZUVBPOBZEX-UHFFFAOYSA-N 336.269 4.311 0 40 EIAB CCOC(=O)c1sc2cccc(F)c2c1CSc1ncccn1 6986859 UVLXGKDYQIRKHK-UHFFFAOYSA-N 348.424 4.299 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(Cl)ccc1F 7116771 LWUJMDXCNUWZIZ-UHFFFAOYSA-N 334.803 4.361 0 40 EIAB COc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 7802639 YZCOPASJLURWCE-SOFGYWHQSA-N 336.218 4.332 0 40 EIAB O=C(COc1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1 7890133 KSEBEQCAWFPHLA-LJQANCHMSA-N 341.407 4.172 0 40 EIAB CC[C@]1(c2ccccc2)NC(=O)N([C@H](C)c2ccccc2Cl)C1=O 8187414 WITLVFKLGVTDPQ-BFUOFWGJSA-N 342.826 4.258 0 40 EIAB COc1ccc([C@H](N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9547871 VAHZNFBZMLURDU-AZUAARDMSA-N 325.452 4.332 0 40 EIAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccnc1 9659962 YMVNXKRPIGMZKU-UHFFFAOYSA-N 342.354 4.107 0 40 EIAB biogenic COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C(C)C)cc2)c1 10338692 DGVBACZDRXABMS-UHFFFAOYSA-N 339.435 4.476 0 40 EIAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 12284621 ARDWJMAHNFRPJJ-INIZCTEOSA-N 328.843 4.191 0 40 EIAB O=C(O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1F 12397980 MHVJPRUXXAACMH-UHFFFAOYSA-N 337.354 4.013 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cnc21 12882522 RHOBNOAVYNGFPM-LBPRGKRZSA-N 342.830 4.157 0 40 EIAB CCc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1 15669579 XYMZLINIZALLAE-UHFFFAOYSA-N 341.436 4.322 0 40 EIAB COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(C)c(C)c1)CC3 15842137 OJOIMQFGVMEPMH-UHFFFAOYSA-N 332.403 4.063 0 40 EIAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 18016269 HTENJDIHICUSAF-JTQLQIEISA-N 333.313 4.073 0 40 EIAB Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2-c2cccnc2C)on1 19124038 KOBUWRJRFNMFHG-CYBMUJFWSA-N 349.438 4.047 0 40 EIAB CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(OC)nc2ccccc12 19502091 JJVVIYJJQDJSJM-LJQANCHMSA-N 349.434 4.042 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C)ccc1OC 20104457 PREZMTIURIHHCV-KRWDZBQOSA-N 327.424 4.417 0 40 EIAB CSc1nc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)n2n1 21005772 VAQZNSXJEWOHPV-UHFFFAOYSA-N 332.432 4.489 0 40 EIAB Cc1ccc2[nH]c(C(=O)O)c/c(=N\c3ccc(C)c(Cl)c3)c2c1 21657769 MNORLUNZHQKDRY-UHFFFAOYSA-N 326.783 4.369 0 40 EIAB CC(C)c1ccc(-c2noc(CCC(=O)N(C)c3ccccc3)n2)cc1 23680112 SANNDHCQFGZVPC-UHFFFAOYSA-N 349.434 4.456 0 40 EIAB O=C(CSCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 25061823 PVAFROUYIYYMOX-UHFFFAOYSA-N 329.509 4.047 0 40 EIAB CCCc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)sc1C 25329455 NWNLKSNGSMJAPA-HNNXBMFYSA-N 336.526 4.103 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccsc1 25330016 PVKCEKGPNTZONJ-ZDUSSCGKSA-N 343.279 4.088 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 25879469 PYBHRBGLGUKZST-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F 26295555 LMHGMIDPLUOYBX-TUAOUCFPSA-N 332.341 4.307 0 40 EIAB CCOc1ccccc1-c1n[nH]c(SCc2ccc(F)cc2)n1 26505495 IAADEIIFMSKMLE-UHFFFAOYSA-N 329.400 4.302 0 40 EIAB COc1ccccc1Oc1ccc(N[C@@H](C)c2nc(C)no2)cc1 26985498 NRUGIXWNKJCIMD-LBPRGKRZSA-N 325.368 4.352 0 40 EIAB C[C@@H](NC(=O)CC1(C(=O)O)CCCCCC1)c1cc2ccccc2o1 29010821 WKESLHLKYOXSTN-CQSZACIVSA-N 343.423 4.425 0 40 EIAB COc1ccc2c(C)cc(S[C@H](C(=O)O)c3ccccc3)nc2c1 30822748 VVFRPMHKPJSCIB-SFHVURJKSA-N 339.416 4.470 0 40 EIAB Cc1nc(C2CC2)nc2sc(C(=O)N3CCCC[C@@H]3C)c(C)c12 32908086 KLAPJLXJHSDKEC-JTQLQIEISA-N 329.469 4.200 0 40 EIAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C3CC3)nc21 36617265 BMJXLMMXXSWEEU-UHFFFAOYSA-N 325.384 4.069 0 40 EIAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCc1cccc2ccccc12 40721371 NOFLJKXPSONMRP-NRFANRHFSA-N 344.414 4.107 0 40 EIAB CCCSc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 41018853 VIRHVZRYGIISGT-UHFFFAOYSA-N 341.889 4.265 0 40 EIAB CCCCOc1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 48332964 YSIYTPYGSDLGBL-UHFFFAOYSA-N 336.435 4.206 0 40 EIAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C(F)(F)c1ccccc1 52449429 NVUNQWSAPKMLHA-UHFFFAOYSA-N 345.374 4.265 0 40 EIAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1nccc2ccccc12 58433831 VEYHAVQUVRBVSX-SFHVURJKSA-N 348.402 4.045 0 40 EIAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1)C3 58979789 MNHYCZIUCPUTQL-UHFFFAOYSA-N 349.430 4.488 0 40 EIAB biogenic CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2cnn(C)c2)S1 71284651 NNQSHEPMIUZNIM-OAHLLOKOSA-N 345.472 4.104 0 40 EIAB Cc1ccc(NC(=O)COc2ccnc3cc(F)c(F)cc23)cc1C 72311164 TWRUKARYAWYRKK-UHFFFAOYSA-N 342.345 4.147 0 40 EIAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccc(C)cc4)C3)n2)cc1 72369919 QRJOOWAONKNQRP-SFHVURJKSA-N 349.434 4.043 0 40 EIAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccccc1C(F)(F)F 78597091 TVQAKAWAWPHMIA-IUODEOHRSA-N 348.368 4.073 0 40 EIAB Cc1occc1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 89540639 QRFLVFYMJCEYCL-KRWDZBQOSA-N 326.783 4.156 0 40 EIAB Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 95423623 NBFIHKAHJDGCBP-QWHCGFSZSA-N 344.484 4.147 0 40 EIAB C[C@H](Nc1ccc(N2CCOC2=O)cc1)c1ncc(-c2ccccc2)o1 96437010 PXBBCBPCVPPCEM-AWEZNQCLSA-N 349.390 4.471 0 40 EIAB Cc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)ccc1F 96725061 LHMNIDQDHZLLQC-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB O=C1OC(c2ccccc2Cl)=N/C1=C/C1=Cc2ccccc2OC1 96935625 LKANMRKQAAGEBN-MHWRWJLKSA-N 337.762 4.003 0 40 EIAB CC(C)c1ocnc1C[S@](=O)Cc1cccc(Br)c1 97047718 ZPPAXTQMFGOIKD-IBGZPJMESA-N 342.258 4.009 0 40 EIAB Cc1c(O)nc(SCc2nccn2C(F)F)nc1-c1ccccc1 97141243 GASXHFNSWZXAHS-UHFFFAOYSA-N 348.378 4.042 0 40 EIAB CCN(C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 101213915 YOJGDBUKZJWVEZ-ROPHOZQPSA-N 337.548 4.233 0 40 EIAB C[C@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(-c2ccccc2)o1 126332689 YBSGJJCOHXGWMK-NSHDSACASA-N 336.317 4.274 0 40 EIAB CC(C)c1ccccc1OCC(=O)NCCCc1ccc(F)cc1 222808746 BAFBSDWYIFIZIY-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(OC)c(C)c1 223228655 LIQLMJSQNNSPRR-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)CCc2ccc(Cl)cc2)c1 224112596 RWRSHBDPYMEUJW-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2cccc(C)c2C)cc1 225761687 CJJVAXLBMRXIHH-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)CC2 226862189 NAZICFUICSJOFB-UHFFFAOYSA-N 337.444 4.154 0 40 EIAB COc1ccccc1/C=C/CN1[C@H]2CC[C@H]1c1cnc(C3CC3)nc1C2 248259455 VGCVQVFKXOAJHX-MQBKADHPSA-N 347.462 4.138 0 40 EIAB CCOC(=O)c1nc(Nc2ccccc2C(F)(F)F)sc1C 317205058 QONUABHZUDYOAW-UHFFFAOYSA-N 330.331 4.391 0 40 EIAB CCn1cc(C(=O)Nc2c(C)cccc2C)c(=O)c2cc(C)ccc21 408713226 OOCMNRHXSISWRE-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB CC(C)(CNCc1cc(C(N)=O)cs1)c1ccc2ccccc2c1 623784690 FMEBTMVQLFLYSW-UHFFFAOYSA-N 338.476 4.068 0 40 EIAB Cc1ccc2cc(CN3CCC(n4cccn4)CC3)c(Cl)nc2c1 1138861363 DEDKMONMAMPPEU-UHFFFAOYSA-N 340.858 4.230 0 40 EIAB Cc1cc(C)cc(C2=CCN(Cc3n[nH]cc3Br)CC2)c1 1657723731 VOLFHTBVLKUAHM-UHFFFAOYSA-N 346.272 4.078 0 40 EIAB Clc1ccccc1-c1nnc(-c2ccc(Br)o2)o1 39024 CLWMEXAREIAPGM-UHFFFAOYSA-N 325.549 4.413 0 40 EIAB CC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)nc1C 193508 LHLXMBFSMLYAJD-UHFFFAOYSA-N 329.208 4.213 0 40 EIAB Cc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 367032 QFOSKOLZSHUMSJ-UHFFFAOYSA-N 328.824 4.346 0 40 EIAB Cc1sc2nc(C(C)C)nc(SCC(=O)OC(C)C)c2c1C 414685 CLEMELOCUVGWEO-UHFFFAOYSA-N 338.498 4.475 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc(Cl)c1 1993496 KUQYLWZHYNTBGR-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCn1ncc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 2765817 IQGKZMHUGHXLSS-UHFFFAOYSA-N 341.242 4.182 0 40 EIAB Cc1csc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)n1 3353519 RWJFZWSJASURPT-UHFFFAOYSA-N 348.280 4.193 0 40 EIAB CCCn1c(S[C@@H](C)C(=O)Nc2nccs2)nc2ccccc21 3400588 SSOVDTQKYQJGST-NSHDSACASA-N 346.481 4.022 0 40 EIAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1cccnc1Cl 3473810 DJIOHOZUCNTOOY-UHFFFAOYSA-N 346.761 4.485 0 40 EIAB O=C(COc1cc(Cl)cc(Cl)c1)NCCCc1ccccc1 3476914 DTEZBTYGIGXTAL-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB C[C@H]1CCc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2C1 4137814 KWEXMWNVGDQOCC-QMMMGPOBSA-N 345.449 4.350 0 40 EIAB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)c1c[nH]c2ccccc12 4332187 UZFNOCXXEHGEBI-GFCCVEGCSA-N 333.343 4.342 0 40 EIAB Clc1ccc(Cl)c(-c2nn3c(-c4ccco4)nnc3s2)c1 4511795 KWFWSRFITLGAMG-UHFFFAOYSA-N 337.191 4.420 0 40 EIAB O/N=c1\oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)cs1 4550307 YVLWJFUNRQUICN-JZJYNLBNSA-N 336.372 4.219 0 40 EIAB O=C(/C=C/c1ccccc1)n1cnnc1SC/C=C/c1ccccc1 4837562 MYVJOINBZKGSRB-MZXMXVKLSA-N 347.443 4.437 0 40 EIAB Cc1cc(OCc2nnc(S)n2-c2ccccc2)ccc1Cl 5687708 ABXFBYZHLPJPTH-UHFFFAOYSA-N 331.828 4.097 0 40 EIAB CSc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 5872072 OLODDQGZDFROJS-QMMMGPOBSA-N 335.479 4.105 0 40 EIAB CCN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 5966811 GZRBRGXQPBQKMD-UHFFFAOYSA-N 345.855 4.362 0 40 EIAB Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1Cl)S[C@@H](C)C(=O)N2 6679369 CAYCNNAUTLTMPL-MADCSZMMSA-N 342.251 4.188 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc3c(c2)CCC3)c1C 6879340 WIAZBUUARULNRO-UHFFFAOYSA-N 327.449 4.298 0 40 EIAB CCOc1ccc(CC(=O)Nc2nnc(C(CC)CC)s2)cc1 6942296 FZURXTORUMBPLR-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB Cc1cc2occ(CC(=O)N[C@@H]3CCOc4ccccc43)c2cc1C 7218249 KGJKSJYZRKZBQJ-GOSISDBHSA-N 335.403 4.232 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 7405365 KFEDWEQXAOIRAP-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)c1 7615822 JCEORFYGCXZTKF-MRXNPFEDSA-N 347.418 4.182 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](C)c2ccccc2)c1 7794358 QSXHXECNHKAOEQ-KRWDZBQOSA-N 325.452 4.417 0 40 EIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882488 BSTAEFYPMJSEHV-KRWDZBQOSA-N 344.414 4.140 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSC1CCCCC1 8040862 YSYSAXZTAKNCSD-INIZCTEOSA-N 339.476 4.165 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2OC)cc1 9140463 UCANVCJLHHATTA-UHFFFAOYSA-N 348.855 4.038 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2cccc(Cl)c2)c(F)c1F 9141605 LDSKXHOIFUZDQQ-UHFFFAOYSA-N 333.668 4.157 0 40 EIAB COc1ccc(-n2nc(CSc3ccc(C)cc3)cc2O)cc1 9939646 ICTJANMXCQNLBQ-UHFFFAOYSA-N 326.421 4.187 0 40 EIAB COc1cccc2sc(NC(=O)Cc3ccc(SC)cc3)nc12 10252234 YIYJLIOMZFQMPA-UHFFFAOYSA-N 344.461 4.208 0 40 EIAB CCN(CC)C(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 10434135 HYVLAYIDBAIATM-UHFFFAOYSA-N 338.451 4.048 0 40 EIAB CCc1cc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)on1 12222262 WEXNANMYSMPCMX-UHFFFAOYSA-N 349.434 4.113 0 40 EIAB O=C(Nc1ccc(OC(F)F)cc1)c1sccc1-n1cccc1 12874151 WXBJDBSFFHYFPN-UHFFFAOYSA-N 334.347 4.393 0 40 EIAB O=C1Nc2cc(Cl)ccc2/C1=C\c1cnn(Cc2ccccc2)c1 14229199 BPPKDHILBTWVAZ-CAOOACKPSA-N 335.794 4.078 0 40 EIAB Cc1nc(Nc2ccccc2)nc2c1nc(S)n2-c1ccccc1 16266330 YWGOPKFYTACAES-UHFFFAOYSA-N 333.420 4.156 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)cc1Cl 17070806 FSQDRWFOJNBSTP-JTQLQIEISA-N 336.844 4.050 0 40 EIAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 19523546 BDVMDFVEWODATH-PKOBYXMFSA-N 339.483 4.062 0 40 EIAB CC(C)c1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1 19910811 HGILEILPWYTTDH-UHFFFAOYSA-N 340.814 4.296 0 40 EIAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc(C(=O)O)c1O 20145129 CGJSYZGNGHIBOJ-RMKNXTFCSA-N 339.391 4.174 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1Cl 20897363 FPDSJCUGBXZIMN-SECBINFHSA-N 336.844 4.182 0 40 EIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc2cnccc12 21220239 UJFZSOCSJWZEGV-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB CCCCN(CC)c1ncnc2c1cnn2-c1cccc(Cl)c1 21661448 PCVDWFPEHPMEQY-UHFFFAOYSA-N 329.835 4.095 0 40 EIAB NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 21811803 QZUWGSTWDIGMRY-AWEZNQCLSA-N 327.280 4.113 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(OC)cc1 23649753 HGDRWPKYMYRBCS-ACJLOTCBSA-N 347.842 4.383 0 40 EIAB Cc1cccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C)c1 24769008 QUYQHQJSANVJIA-AWEZNQCLSA-N 337.398 4.119 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)NCCC(c1ccccc1)c1ccccc1 32936952 IOVXVWOFMNIDNO-UHFFFAOYSA-N 348.450 4.370 0 40 EIAB Cc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)c(C)c1 35616448 NTCYFEGVWOGRFS-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB O=C(NCCSc1ccccc1)Nc1ccc(F)c(F)c1F 40097361 YOBKLTLSLPDZAS-UHFFFAOYSA-N 326.343 4.018 0 40 EIAB C[C@H](NC(=O)c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 40108631 KVZOFBMXEYOCMC-LBPRGKRZSA-N 348.431 4.177 0 40 EIAB COc1ccc(NCc2n[nH]c(=S)n2-c2cc(C)ccc2C)cc1 40163741 HQGJLZITGNWWSR-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCc1cccc2ccccc12 40721372 NOFLJKXPSONMRP-OAQYLSRUSA-N 344.414 4.107 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 44884134 HQQWZKKXQABCQO-FZKQIMNGSA-N 347.842 4.383 0 40 EIAB CCCCc1ccc(Nc2nc(N3CCCC3)c3nc[nH]c3n2)cc1 49029872 WMQHBUIEBZNQCZ-UHFFFAOYSA-N 336.443 4.039 0 40 EIAB CCOC(=O)c1c(CN(C)Cc2ccccc2)nc2ccccc2c1C 57439232 DJGXFDVNORQJGE-UHFFFAOYSA-N 348.446 4.352 0 40 EIAB Cc1cccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)c1 58413932 LSAASAURDMKHCA-ZRDIBKRKSA-N 349.478 4.100 0 40 EIAB O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCCC1 65515824 GDKMNQQLYMESPA-UHFFFAOYSA-N 326.343 4.065 0 40 EIAB CC(C)c1noc([C@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 69659877 PAPZDTQULAEQII-ZDUSSCGKSA-N 339.443 4.010 0 40 EIAB O=C(c1ccccn1)N1CCC(c2nc(-c3ccccc3)cs2)CC1 69951988 SHNZVRDBXLEWKC-UHFFFAOYSA-N 349.459 4.225 0 40 EIAB Cc1cc(C)c(NC(=O)COc2c(C)cc(C)cc2Cl)c(N)c1 70462926 IGTDENBMSJEBGO-UHFFFAOYSA-N 332.831 4.173 0 40 EIAB CC[C@H](C)Nc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72213578 DYFLAPOKGGZJSL-AWEZNQCLSA-N 349.475 4.170 0 40 EIAB COc1cccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 72332443 NLKVUNQWEWGQCC-RBUKOAKNSA-N 334.423 4.050 0 40 EIAB CCn1c(C)cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 73766688 UTXHFSBUWUKTCR-UHFFFAOYSA-N 336.439 4.180 0 40 EIAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1nnc(-c2ccsc2)s1 83559409 JLICEOAGMTWGPD-MDZLAQPJSA-N 348.497 4.452 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@H]1c1c(F)cccc1F 89768099 RLQXYMSQSLMRSA-KFWWJZLASA-N 349.421 4.066 0 40 EIAB CCOc1cc(Cl)ccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 89990954 RYWMFYWOEXKGTA-AWEZNQCLSA-N 348.834 4.221 0 40 EIAB Cc1cc([C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 95419430 OOGUYISZOWZHQH-KBPBESRZSA-N 326.469 4.357 0 40 EIAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccccc1)SCC(O)=N2 95474944 ZYBZKNZUAALQMK-INIZCTEOSA-N 343.452 4.106 0 40 EIAB C[C@H]1CN(C(=O)Nc2cccc3[nH]ccc23)C[C@@H](c2ccsc2)O1 95965907 ZPLYABLGEGUCBY-SJCJKPOMSA-N 341.436 4.223 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2OC)o1 97094893 WEHCDLFEEPTDJB-INIZCTEOSA-N 344.411 4.112 0 40 EIAB Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 101277025 LBFBXXOKNBPIOF-CYBMUJFWSA-N 349.217 4.046 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@@H]2CCCO2)c1 104677042 UZPJQMKWIOVIIQ-FPXQBCRKSA-N 329.440 4.009 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106757782 NIGRCUVWJIUNBB-LGMDPLHJSA-N 339.416 4.110 0 40 EIAB c1ccc(-c2cc3c(N4CCO[C@@H]5CCC[C@H]54)ncnc3s2)cc1 107070480 KIJFFUDOOALQJH-HZPDHXFCSA-N 337.448 4.116 0 40 EIAB O=C(c1ccnc(Cl)c1F)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 108147289 SXDLYHISRGTLHZ-FQUUOJAGSA-N 336.838 4.305 0 40 EIAB CCOC(=O)c1cn([C@@H](C)CC)c2cc(C(F)(F)F)ccc2c1=O 199741109 SXEHXTMLXRBMIF-JTQLQIEISA-N 341.329 4.168 0 40 EIAB O=C(c1c[nH]c2ccccc12)N1CCS[C@@H](c2ccccc2)CC1 208040577 UCLIZARLNJFOSE-LJQANCHMSA-N 336.460 4.488 0 40 EIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224151295 MQLPWORCYQHDEV-QZTJIDSGSA-N 335.432 4.160 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(OC)cc1 225395333 VBNPJFMXLWSFDQ-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB O=C(N1CCc2cc(Br)ccc21)C1(c2ccccc2)CC1 225988592 RJSBHDDGDUJTHB-UHFFFAOYSA-N 342.236 4.070 0 40 EIAB CSc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O 226035629 LABDLUMPBSQADG-UHFFFAOYSA-N 325.389 4.076 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccco2)nc2ccccc21 245281271 ALCVBCDCPZJHOE-VKJFTORMSA-N 349.434 4.116 0 40 EIAB O=C(CCc1cscn1)NC1CCC(c2ccc(F)cc2)CC1 272709417 AMFBYFNRIUAJMZ-UHFFFAOYSA-N 332.444 4.057 0 40 EIAB Cc1noc(C)c1CCN[C@H](C)Cc1cccc(C(F)(F)F)c1 281261526 OPLXXFDZBWFQAC-LLVKDONJSA-N 326.362 4.074 0 40 EIAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1 408530612 PSAAWURPAQJAOP-UHFFFAOYSA-N 328.730 4.155 0 40 EIAB COc1cccc2cc(C(=O)NCc3ccc(-c4ccco4)o3)oc12 575608183 JEDYNQCRESFDFS-UHFFFAOYSA-N 337.331 4.224 0 40 EIAB Cc1nccnc1[C@@H](C)NCc1cc(Cl)ccc1Br 580713800 LEGXPEDDFZYEBX-SNVBAGLBSA-N 340.652 4.052 0 40 EIAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2C(=O)[C@@H]1C 106075 YXCWRLCZWVCEDO-UONOGXRCSA-N 332.403 4.256 0 40 EIAB Cc1cc(C)c2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 189366 KNXJXGAWOIQVOJ-UHFFFAOYSA-N 325.437 4.231 0 40 EIAB CC(=O)Oc1cc2c(C(=O)N3CCCC3)c(C)oc2c2ccccc12 1236048 JSZXKJWFNPTBOP-UHFFFAOYSA-N 337.375 4.056 0 40 EIAB Clc1nc(Cl)c(Cl)c(I)c1Cl 2173327 BTABLTRRNRROBK-UHFFFAOYSA-N 342.778 4.300 0 40 EIAB O=C(CSc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 2618371 MSXVODBAXGTDKF-UHFFFAOYSA-N 346.761 4.485 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1ccccc1Br 3603990 NSVJJDMJUDIWRJ-UHFFFAOYSA-N 340.604 4.120 0 40 EIAB Clc1ccc(-c2cn(-c3ccccc3)c3ncn4ncnc4c23)cc1 3852035 PIHHAKFRZOVVIJ-UHFFFAOYSA-N 345.793 4.389 0 40 EIAB biogenic COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cccnc3)c(C)c2c1 4000498 KLTQAXGPJYPQGP-LJQANCHMSA-N 349.434 4.247 0 40 EIAB biogenic Cc1cc(C)cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1 4070417 FJIOPYPDBWMBTO-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB CCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1 4357750 DCDOJYXANFXQHC-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 4664516 ISLZQOUNUXFPIZ-UHFFFAOYSA-N 327.468 4.076 0 40 EIAB CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C 5177249 HCHOAVZFFAVLDZ-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc[nH]1 5780823 FFMQIWLNMFWSGH-UHFFFAOYSA-N 337.219 4.314 0 40 EIAB Cc1ccc(S(=O)(=O)CCCCCC(=O)c2ccccc2)cc1 5929349 YEUUNRBSAIFVIW-UHFFFAOYSA-N 330.449 4.212 0 40 EIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3ccc[nH]3)c2n1 6039035 OCNLONMDYMEKJE-UHFFFAOYSA-N 335.190 4.440 0 40 EIAB Cc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1 7466566 RTCUOPZDJSGIFA-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB O=C(COc1ccc(Cl)cc1)OCc1cc(-c2cccs2)on1 7551580 JRZSAGSQTRISCW-UHFFFAOYSA-N 349.795 4.179 0 40 EIAB C[C@H]1C[C@@H](Sc2ncnc3sc(-c4ccccc4)cc23)C(=O)O1 8278527 XSTPNUFRDUMSFH-IINYFYTJSA-N 342.445 4.154 0 40 EIAB Clc1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 8583030 NBRQHULULZMCCP-UHFFFAOYSA-N 349.825 4.124 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 9314027 GKRYCIFICFXHEW-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB C[C@@H](SCc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 9882910 MJLVFKAEHAMAKD-GFCCVEGCSA-N 337.847 4.417 0 40 EIAB CCCC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 10119485 FMHJMSBJRLTGIY-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB Cc1csc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)n1 11985220 GBXDEMMWIANOOB-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB CN(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12747893 IQWCYWMBSMDYBP-LJQANCHMSA-N 336.460 4.334 0 40 EIAB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)c1ccc(F)cc1 12823944 ZCUJSFIHFBQBFV-TZIYXEQSSA-N 349.361 4.202 0 40 EIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc(F)c1 12975581 BPFBSVPPJJGSKX-UHFFFAOYSA-N 341.411 4.288 0 40 EIAB COc1ccccc1-n1nnnc1S[C@@H](C)c1ccccc1Cl 12978721 GJIZIGHACAGJJN-NSHDSACASA-N 346.843 4.178 0 40 EIAB O=C(CCc1ccco1)Nc1cccc(NC(=O)Nc2ccccc2)c1 12981995 XNACKBHXBBFKIJ-UHFFFAOYSA-N 349.390 4.495 0 40 EIAB O=C(Nc1ccccc1)Nc1cccc(C(=O)N2CCCCCC2)c1 14555601 YHLZTVINDLDNMX-UHFFFAOYSA-N 337.423 4.347 0 40 EIAB COc1ccccc1-c1nn(C)c(-c2ccccc2OC)c1Cl 17067394 HKJMLBNHEAYWFM-UHFFFAOYSA-N 328.799 4.425 0 40 EIAB C[C@H]1CCC[C@@H](C)N1Cc1csc(-c2ccc3c(c2)OCO3)n1 17067854 AFCRRNYVMAZKBE-BETUJISGSA-N 330.453 4.302 0 40 EIAB C[C@@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 17242177 ACIHXFGAEPNSCL-CYBMUJFWSA-N 333.370 4.128 0 40 EIAB CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccc(OC)cc1)C3 19523034 XNMLHJRIUZUNIW-UHFFFAOYSA-N 348.402 4.320 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1C 19736752 SKFVGSIPDTWVLB-UKRRQHHQSA-N 326.440 4.497 0 40 EIAB O=C(Oc1ccc(Cl)cc1)C1=C(c2ccccc2)SCCO1 20745202 RVRKCMALOGECRD-UHFFFAOYSA-N 332.808 4.378 0 40 EIAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccncc1 22131439 MFRKORUZDRYZPK-UHFFFAOYSA-N 339.464 4.258 0 40 EIAB Cc1cc(C(=O)N2CCc3sccc3C2)c(C)n1Cc1ccco1 22328893 HJNHRFQIQCHFPY-UHFFFAOYSA-N 340.448 4.006 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccccc1Br 25061216 PVCRGNTXWINZTA-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB COc1ccc(OCCOc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 25823245 VVSJMTZMSRRSOB-AWEZNQCLSA-N 326.392 4.151 0 40 EIAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccccc3C)c2)c1 27920328 KFGFXBCPWXOQRD-UHFFFAOYSA-N 348.406 4.086 0 40 EIAB CC[C@H](C(=O)Nc1cnn(Cc2ccccc2F)c1)c1ccccc1 28220425 SJXBUENNGMCFTI-SFHVURJKSA-N 337.398 4.203 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 32585610 BEMZQXXOLRNACO-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2cc(F)ccc2[nH]1 33138216 ZLLHCAHXHGIHNY-UHFFFAOYSA-N 348.337 4.142 0 40 EIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC(C)C 38756924 JNCJFEGJBZEZFH-OAHLLOKOSA-N 329.893 4.142 0 40 EIAB O=C(OCc1noc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2 39554184 BFBPSLGJVGLWCK-UHFFFAOYSA-N 344.436 4.058 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 41285684 HKLJZVKLDYGHGL-NSHDSACASA-N 339.313 4.120 0 40 EIAB CCOc1ccc(CCC(=O)NCc2ccccc2C)cc1OCC 44884691 IPTDHZUMJHMUSD-UHFFFAOYSA-N 341.451 4.041 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)C(c1ccccc1)c1ccccc1 46407913 XMUDNFJEFVLMTD-UHFFFAOYSA-N 334.419 4.082 0 40 EIAB O=C(/C=C/c1ccccn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 47517955 DNCVCICVGKXAME-FNORWQNLSA-N 343.358 4.135 0 40 EIAB Fc1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1 54981833 HXZJGKSLBGXWES-UHFFFAOYSA-N 326.371 4.127 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(N)ccc1C 57340187 OKTUKGDWWGEGPY-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB Nc1nnc(SCc2ccc(OCc3ccc(F)cc3)cc2)s1 58344314 BWNMYLTZVYRJJS-UHFFFAOYSA-N 347.440 4.131 0 40 EIAB Cc1ccc(OC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)cn1 64701581 QOJJJIILBXLZAE-UHFFFAOYSA-N 347.418 4.064 0 40 EIAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)C2(C)C)no1 67889850 QCYXLICAEBJZHY-QAPCUYQASA-N 332.488 4.281 0 40 EIAB biogenic,in-vitro C[C@@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 75155372 UUKKDJKBYWBSGJ-HXUWFJFHSA-N 337.444 4.053 0 40 EIAB Cc1cccc2c(CC(=O)NCC3(c4ccccc4F)CC3)c[nH]c12 78116652 JFVIGQSJLKCTNV-UHFFFAOYSA-N 336.410 4.006 0 40 EIAB Cc1nc([C@H](C)NC(=O)N(C)Cc2cc3ccccc3o2)cs1 84272037 HHIMWMGKUGZRNJ-NSHDSACASA-N 329.425 4.100 0 40 EIAB NNc1cc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1 89263551 FJFOZQGWCOZJLR-UHFFFAOYSA-N 337.235 4.465 0 40 EIAB Fc1ccc(Br)cc1CSC1=N[C@@H]2CCCC[C@@H]2N1 95956236 KQYYUANLRDPNOY-BETUJISGSA-N 343.265 4.092 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1CCCC1=C1CCC[C@@H]12 100548600 KFWBPLWYFUKRBD-XSLAGTTESA-N 341.838 4.356 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(Cl)cc1 113970408 WMZWRRARGNWAFX-QGZVFWFLSA-N 331.843 4.431 0 40 EIAB COc1cccc(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 211140738 RRCRNPUWSRUXGB-SFHVURJKSA-N 327.449 4.016 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccccc1OC 222577123 BTBLDXZZRPFIND-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB COc1ccc(OC)c(NC(=O)CCc2cccc3ccccc23)c1 222659117 ILUWGCUHTJWFHH-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB CC1(C)C[C@@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2O1 224147673 HDUFECQUZMFPFY-QGZVFWFLSA-N 327.399 4.177 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(COC)c1 224468953 MNVHBOJZLMMMKU-SFHVURJKSA-N 327.424 4.246 0 40 EIAB O=C(Cc1ccccc1Cl)NCc1ccnc(-c2cccs2)c1 225650360 CZEOTUHSNJFMOV-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCCOCC)cc2)CCCCC1 225657719 FAXVDQYLSUBHPU-UHFFFAOYSA-N 349.471 4.170 0 40 EIAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(F)c(F)c1 225754527 KZLFWBJXZLVXHO-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2CCCC[C@@H]12 257266376 MCSKLJUKWVEYGJ-YLFCFFPRSA-N 341.373 4.230 0 40 EIAB O=C(O)c1ccccc1-c1ccc(CNC(=O)C2CCCCC2)cc1 257330654 XPIOVRMMWJKQNI-UHFFFAOYSA-N 337.419 4.248 0 40 EIAB Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 409096613 GENWHESDGBPOAE-UHFFFAOYSA-N 346.459 4.028 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)N[C@H](C)Cc1csc2ccccc12 575620763 LZOYOSMABYTEKZ-CABCVRRESA-N 339.460 4.416 0 40 EIAB CCc1c(NC(=O)N2CC[C@H]2C2CCCC2)cnn1-c1ccccc1 1548453704 JOVIULIDRZXNBA-IBGZPJMESA-N 338.455 4.231 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C[C@H]1COc2ccccc2O1 1652826231 QIEIHPOXJKTZHA-ZDUSSCGKSA-N 338.234 4.265 0 40 EIAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)C2CCC2)s1 1345363 ZABLDHCEGHMBIX-UHFFFAOYSA-N 329.469 4.303 0 40 EIAB Cc1ccc(C)c(Cn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1 1927058 QRJADWXVZZVISJ-UHFFFAOYSA-N 349.478 4.364 0 40 EIAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](O)c1ccncc1 3063505 IOXPMDDEAPUIQK-GOSISDBHSA-N 341.303 4.424 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCCC2)s1 3264904 WSZYXNJFDLZEKL-BBRMVZONSA-N 334.510 4.073 0 40 EIAB Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3s2)n1 3286986 QBBYTWAQFHMTJN-UHFFFAOYSA-N 340.433 4.104 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 3560984 CFZAHNWCRXFUAY-UHFFFAOYSA-N 329.705 4.420 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)cc2Cl)c1C 3587623 SCPSXBIJRNPIPY-UHFFFAOYSA-N 340.206 4.403 0 40 EIAB Cc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c(C)c1 4357754 IYKLRMZYWIGGRN-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N1CCCC1 4516956 CUYPRMXCCGCBSH-UHFFFAOYSA-N 338.885 4.178 0 40 EIAB Cc1c(F)cccc1NC(=O)c1cc(Cl)c(Cl)cc1C(=O)O 4686996 ROMPHKHVGVIUMC-UHFFFAOYSA-N 342.153 4.391 0 40 EIAB Cc1occc1-c1nnc(SCCOc2ccccc2Cl)n1C 4947646 HRYCIBTTXMCOOC-UHFFFAOYSA-N 349.843 4.208 0 40 EIAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(Cl)c1 4969541 UYEIBYPJHZNSJX-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB Fc1ccccc1CSc1ccc2nnc(-c3cccs3)n2n1 5055855 SFINBZLBSFEPNG-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB Cc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1 5453620 MSALKFSPKOMYMV-UHFFFAOYSA-N 334.242 4.321 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2O)n[nH]1 5928577 ULWMACHIYBUITP-UHFFFAOYSA-N 347.296 4.053 0 40 EIAB COc1ccc(/C=C/c2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 6810744 UAPGOCOUENOGNM-KPKJPENVSA-N 348.431 4.340 0 40 EIAB CCN(C(=O)CCc1nc(-c2ccc(C)cc2)no1)c1ccccc1 6820603 JPIJWZHLXDOFBV-UHFFFAOYSA-N 335.407 4.031 0 40 EIAB COc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)cc1 7871768 NGJCOQCAVNDQCY-UHFFFAOYSA-N 335.856 4.099 0 40 EIAB O=C1Cc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc2N1 8042172 MLXHDTNZZLYPKT-UHFFFAOYSA-N 325.368 4.187 0 40 EIAB Cc1cc(NC(=O)C(F)(F)F)ccc1-c1cc2ccccc2oc1=O 8071264 MCHYCCQNROTKKV-UHFFFAOYSA-N 347.292 4.269 0 40 EIAB COc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)s1 8277215 CFHNEAAWCNVOCJ-UHFFFAOYSA-N 341.407 4.493 0 40 EIAB C[C@H](NC(=O)COc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 9142053 KCHKNTCQYNXIJJ-IVKJLDKCSA-N 347.886 4.440 0 40 EIAB CC(C)(C)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 9596493 FDIPEZXCTFFWKS-UHFFFAOYSA-N 336.317 4.233 0 40 EIAB COc1ccc(Cl)cc1CSCC(=O)N[C@H]1CCCC[C@@H]1C 9938578 MLRFUFLLFNZAMT-WFASDCNBSA-N 341.904 4.277 0 40 EIAB CC(C)c1ccc([C@@H](C)NC(=O)CN2CCc3sccc3C2)cc1 10093591 BNTCYQYNWSIWKC-OAHLLOKOSA-N 342.508 4.107 0 40 EIAB CCCN1CCCc2cc(CCNC(=O)c3ccccc3C)ccc21 11612957 SMDIMAURRILNTH-UHFFFAOYSA-N 336.479 4.130 0 40 EIAB COc1ccc2cnc(C3CCN(Cc4cccnc4)CC3)cc2c1C 12222769 QAYVEIGQFLECFH-UHFFFAOYSA-N 347.462 4.326 0 40 EIAB CC(C)Sc1nc2ccccc2n1CC(=O)N1CCCCCCC1 12520361 OGPQMMNSPIMVFP-UHFFFAOYSA-N 345.512 4.330 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 12971789 JFDOQFIEQKBSPJ-LJQANCHMSA-N 343.430 4.167 0 40 EIAB Cc1cccc(OCc2nn3c(-c4cccc(C)c4)nnc3s2)c1 13945100 HPSMARIHKVVKOR-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB CCn1cnn(CN(C)C(c2ccccc2)c2ccccc2)c1=S 14198067 MNMLRQSGMOMULR-UHFFFAOYSA-N 338.480 4.113 0 40 EIAB CCOC(=O)Nc1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 15607453 WIGOCYXTXJVUBW-UHFFFAOYSA-N 347.440 4.261 0 40 EIAB Cc1ccc(Cn2cc(C(=O)Nc3cccc(C)c3C)ccc2=O)cc1 15883141 NRKBTEAYTSMUHM-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc2n1 18839916 MWBJRMGUIGDCPJ-UHFFFAOYSA-N 331.419 4.396 0 40 EIAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1C 19736771 CPVBPROXDWRAPQ-DZGCQCFKSA-N 326.440 4.497 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)N[C@H]1CCCC[C@@H]1C 20428223 QXNLYXJKQWJCTK-BBRMVZONSA-N 344.480 4.339 0 40 EIAB O=C(CCc1ccccc1O)N1CCC(c2c[nH]c3ccccc23)CC1 22283396 KHGXEVSQBHMFFA-UHFFFAOYSA-N 348.446 4.212 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)s1 27922409 UOXLCXAKGKNKJO-UHFFFAOYSA-N 343.427 4.310 0 40 EIAB Cc1ccccc1CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 29338096 RKYGDQYIZMUEKP-OAQYLSRUSA-N 345.446 4.021 0 40 EIAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 30938439 NOAGZZNPXDQWOU-UHFFFAOYSA-N 344.405 4.449 0 40 EIAB Cc1ccc(-n2nc(C)c(NC(=O)Cc3ccc(F)cc3)c2C)cc1 31025856 SKGMXHITOCIKGT-UHFFFAOYSA-N 337.398 4.118 0 40 EIAB Cc1cccc(OCC(=O)Nc2cccc(OC3CCCC3)c2)c1 32769542 CZCBSKWNRHOYFT-UHFFFAOYSA-N 325.408 4.334 0 40 EIAB CCCCCNC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 32802757 VHGPSNBEYGIXGZ-LJQANCHMSA-N 336.439 4.142 0 40 EIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cccc(F)c2)no1 36394259 BPLVALBWYSXPNG-GFCCVEGCSA-N 342.345 4.453 0 40 EIAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccco1 39553340 JPCJYVLNNOVFTB-GFCCVEGCSA-N 340.404 4.084 0 40 EIAB Cc1nc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)ccc2[nH]1 40311900 LWJKEDGTAJTGLB-UHFFFAOYSA-N 341.440 4.023 0 40 EIAB CCc1ccc(NC(=O)CCCNc2ncnc3ccccc23)cc1 41504699 NNVOLJVLYCCWFX-UHFFFAOYSA-N 334.423 4.023 0 40 EIAB CC(C)Oc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 43750524 JUYFYCBQKYACBZ-UHFFFAOYSA-N 348.240 4.166 0 40 EIAB CCCCOc1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1 55104094 UWTQKIATBCIBQD-UHFFFAOYSA-N 328.412 4.121 0 40 EIAB Cc1sc(CNC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1 55426720 DZTQRBIRVZBFMY-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)NCc2cccc(C(F)(F)F)c2)cc1 58161292 LLYXFXHPGPYIAR-CYBMUJFWSA-N 336.357 4.131 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351946 VBMVTGABRQWPIC-BEFAXECRSA-N 327.424 4.038 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccccc1C(F)(F)F)CC(O)=N2 61719523 MOFGPAWNMRTHSK-QMMMGPOBSA-N 327.331 4.327 0 40 EIAB COc1cccc2c1ccn2CC(=O)Nc1cccc(SC)c1 61720992 SSBTVNBFPNMKRL-UHFFFAOYSA-N 326.421 4.011 0 40 EIAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68756307 XIGFGPGVBNVZJQ-KGLIPLIRSA-N 335.234 4.151 0 40 EIAB CCc1ccc(CNC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 71798761 QCSQSLXFZOLVSA-QFIPXVFZSA-N 338.495 4.184 0 40 EIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1cnn(C)c1 71854036 UBEQOISHMSFGLZ-UHFFFAOYSA-N 346.500 4.283 0 40 EIAB Cc1sc(NC(=O)c2ccsc2)c(C(N)=O)c1-c1ccccc1 71854175 BVWFEBITNKFENJ-UHFFFAOYSA-N 342.445 4.136 0 40 EIAB Cc1ccc(NCc2cn3cc(Br)ccc3n2)c(F)c1 72312437 STDSLYJLIJRLPA-UHFFFAOYSA-N 334.192 4.156 0 40 EIAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1 78848851 GCDRXYGDMAFIPV-KUHUBIRLSA-N 343.471 4.309 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2cc(-n3cccc3)ccc2F)c1C 78937037 DDQSWKCFZTUZRM-UHFFFAOYSA-N 341.390 4.094 0 40 EIAB CCc1nc(NC(=O)c2cccn2Cc2cccs2)sc1C 83820184 JFQBTYJGVPRMOY-UHFFFAOYSA-N 331.466 4.178 0 40 EIAB O=C(CCc1cnn(-c2ccccc2)c1)O[C@H]1CCCc2ccccc21 84573029 ZNSYJRCLNCDKGJ-NRFANRHFSA-N 346.430 4.426 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)OCC(F)(F)F 89887945 QXNCBORBVVAPAS-SECBINFHSA-N 339.741 4.033 0 40 EIAB C[C@@H](NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)c1cnccn1 95420753 SOALOQDCJYUZLI-MRXNPFEDSA-N 338.499 4.094 0 40 EIAB CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1csc(CC)n1)CCO2 95422312 VFAPVHSTEIGESD-SWLSCSKDSA-N 332.469 4.279 0 40 EIAB COc1ccc2c(c1)[C@H](N[C@H](c1ncccc1C)C(C)C)CCO2 95422488 QIVMZPLCSIVGGT-MJGOQNOKSA-N 326.440 4.209 0 40 EIAB CC(C)n1cc(CNc2nnc(Cc3ccc4ccccc4c3)o2)cn1 95992322 BOLXWTFVYZOMGR-UHFFFAOYSA-N 347.422 4.203 0 40 EIAB CSc1ncccc1C(=O)NCc1ccccc1-c1ccsc1 96122890 MDWKAWIGOOSMMM-UHFFFAOYSA-N 340.473 4.462 0 40 EIAB Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100864357 SPTDNUYDNPCVID-KJWHEZOQSA-N 329.490 4.397 0 40 EIAB CCC1=CC(c2c(O)c3ccccc3n(C)c2=O)=Nc2ccccc2N1 102914353 ZWQZGKZNWICTOE-UHFFFAOYSA-N 345.402 4.084 0 40 EIAB CCCCC[C@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C/CCCC(=O)O 206550072 NNPWRKSGORGTIM-HUYFTORHSA-N 336.472 4.158 0 40 EIAB Cc1ccccc1-c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 216756803 RQJXJRPLDMEFGS-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1 223226735 JEJBIHOHLHNLMX-SJORKVTESA-N 337.463 4.437 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 224223051 RPRDEXMFYCPLRS-OALUTQOASA-N 349.459 4.469 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1Cl 224535635 HDEKYLITSZNGBA-UHFFFAOYSA-N 349.789 4.227 0 40 EIAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(F)cc3)oc12 226270712 FNPSKQKTXJYZOV-UHFFFAOYSA-N 338.260 4.443 0 40 EIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253596891 XNJOZXWLEFEFEX-NRVHICEFSA-N 334.500 4.133 0 40 EIAB COc1ccc(CN[C@@H](c2cccc3ccccc23)C(F)(F)F)nn1 330032279 LBWDFUZDEQYJBR-KRWDZBQOSA-N 347.340 4.032 0 40 EIAB Cc1nn(CCNC(=O)Nc2cccs2)c(C)c1-c1cccs1 575612972 QYSQZPULRXJMRA-UHFFFAOYSA-N 346.481 4.112 0 40 EIAB Cc1cc(CCCC(=O)Nc2c[nH]nc2C(F)(F)F)c(C)s1 1558332422 BWTXOIFIWACQPT-UHFFFAOYSA-N 331.363 4.068 0 40 EIAB COc1cccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)c1 110303 TYDUWABGDUYDSP-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1nc2sc(C(=O)c3cccs3)c(N)c2c2c1CCCC2 125804 FGVZNYRIJHMXJV-UHFFFAOYSA-N 328.462 4.358 0 40 EIAB Cc1nn(C(=O)c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 553080 ASQQSCCVCDUPNF-IUODEOHRSA-N 334.341 4.195 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 999099 BQVVNHNVSVPUGQ-UHFFFAOYSA-N 336.435 4.310 0 40 EIAB O=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 1005057 CHGABYVNUNQKCL-OQLLNIDSSA-N 345.807 4.243 0 40 EIAB NC(=O)[C@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl 1385500 PJHDOOIJJSHQST-LLVKDONJSA-N 349.139 4.024 0 40 EIAB CCCOc1ccc([C@@H](O)[C@@H](c2ccccc2)N2CCCC2)cc1 2250657 ZQANJCYEINMFHT-NHCUHLMSSA-N 325.452 4.346 0 40 EIAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(F)cc1 3229433 GCOPPVJAMIRJMV-UHFFFAOYSA-N 348.373 4.456 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 3279792 TYHVHQIEYOFZDT-VAWYXSNFSA-N 343.448 4.286 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1Cl 3382485 MYRWDXUHEBWHOQ-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB CCOc1cc(C(=O)Nc2cccc(C)c2)cc(OCC)c1OCC 3481225 WWYFIAKDALFGLM-UHFFFAOYSA-N 343.423 4.443 0 40 EIAB O=C(Nc1nc(COc2ccccc2)cs1)c1ccccc1F 4165579 QFIZWLHOOMPEPD-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB CCCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 4664713 SCUACRWOZWCWSR-CYVLTUHYSA-N 333.435 4.128 0 40 EIAB COc1ccc(Cl)cc1C(=O)OCc1ncc(-c2ccccc2)o1 5245223 AYTZLMZCDUYJEW-UHFFFAOYSA-N 343.766 4.361 0 40 EIAB C[C@@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 5626861 QAIAEZKCSTVLAE-HNNXBMFYSA-N 336.460 4.247 0 40 EIAB COc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 5661775 ATAZYYILBPPDPV-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)[nH]c2c1 6506754 RDAALDMDZZYDFI-SNVBAGLBSA-N 346.843 4.039 0 40 EIAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCCC1 6997069 IDOUBYFVRWWWAL-ZHACJKMWSA-N 349.459 4.236 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C(F)(F)F 7343501 CGJKYDNEGNQQFK-UHFFFAOYSA-N 339.704 4.384 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2ccc(C)c(C)c2)c(C)n1 7915296 RDZJEMPFKPUFKK-UHFFFAOYSA-N 329.469 4.003 0 40 EIAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(SC(F)F)cc1 8704664 FRHRRQALQGLSAT-UHFFFAOYSA-N 335.375 4.117 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 8793932 DKCIGBOIDFHXRD-UHFFFAOYSA-N 347.802 4.179 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)N3CCCCCCC3)c(=O)oc2c1 9366234 RWVNKEAAXZLVBK-UHFFFAOYSA-N 341.451 4.135 0 40 EIAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl 9494266 XRIWATPFUSSVAR-JTQLQIEISA-N 326.824 4.172 0 40 EIAB O=C(/C=C/c1cccs1)OCc1c(F)c(F)c(F)c(F)c1F 9638433 BTAPFZUDDFTZPU-ONEGZZNKSA-N 334.265 4.200 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 11690665 LGIDKBYHTIXVGY-UHFFFAOYSA-N 337.297 4.119 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COc1ncnc2ccccc12 12622520 HRBKKVPIEDQUTM-RKVPGOIHSA-N 342.439 4.013 0 40 EIAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OC(F)F 12749127 SRSYJLRBMVOPDF-UHFFFAOYSA-N 341.741 4.131 0 40 EIAB C[C@@H](NC(=O)COc1ccc(F)c(F)c1)c1ccc2ccccc2c1 12792775 HSNXWUNIWRUQNJ-CYBMUJFWSA-N 341.357 4.374 0 40 EIAB Cc1ccc2cc(CN(C)C(=O)c3ccc(Cl)cc3)c(O)nc2c1 13470659 VRSFBLSCMGDTIK-UHFFFAOYSA-N 340.810 4.174 0 40 EIAB CC(C)C(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc12 14130313 QBQYRSVCSKJYFT-IYBDPMFKSA-N 340.467 4.270 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2Cl)cc1C 14221972 WYTBZCASPDONTE-ZDUSSCGKSA-N 335.806 4.352 0 40 EIAB COc1cc(CNC(=O)C2CCCC2)ccc1OCc1ccccc1 14247114 UNJYLMPDKYTLOB-UHFFFAOYSA-N 339.435 4.081 0 40 EIAB C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1cccc2ccccc12 15814826 WINPWHFRDXXJGL-OAHLLOKOSA-N 329.399 4.493 0 40 EIAB Cc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2Cl)cc1 20049828 HQSPMJFFFBOXNO-UHFFFAOYSA-N 338.234 4.339 0 40 EIAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(F)c(F)c1F 22468843 RXCANFKSVMQLDA-LLVKDONJSA-N 348.368 4.422 0 40 EIAB CN(C(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCCc2ccccc21 29258786 ZXPDGLWMUCUODR-LJQANCHMSA-N 332.403 4.491 0 40 EIAB O=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCCC1 32477252 SQNQQLNLGDZRKB-UHFFFAOYSA-N 331.419 4.165 0 40 EIAB Cc1ccccc1CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 38773190 DVHGRIILFUBPFC-UHFFFAOYSA-N 336.479 4.157 0 40 EIAB COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC 44816096 NMCPXHILOVVYAY-VXGBXAGGSA-N 331.334 4.011 0 40 EIAB C[C@H](Nc1ccc2c(c1)OCCCO2)c1nnc(-c2ccccc2)o1 44874342 MYLXUTASRANYBG-ZDUSSCGKSA-N 337.379 4.071 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1 44886190 RFFXRFKCJUHQIU-LJQANCHMSA-N 343.492 4.202 0 40 EIAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1cccc(Cl)c1 45888968 LGQTXEWHHVWGFF-UHFFFAOYSA-N 346.843 4.104 0 40 EIAB CN(C)c1ccc2cc(NC(=O)c3cccc4cccnc34)ccc2n1 58044682 DBUVBYVIXJOGSV-UHFFFAOYSA-N 342.402 4.101 0 40 EIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 58160879 KSBCFFWZULJDPG-UHFFFAOYSA-N 334.394 4.143 0 40 EIAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cccc2ncccc12 65538281 KJOGIDXRCBVMIT-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C(F)(F)F)C1 65566252 IPBPUCPVWHBYGT-UWVGGRQHSA-N 331.363 4.133 0 40 EIAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 65623648 UVRCHJLMLBDUGI-MSOLQXFVSA-N 326.827 4.030 0 40 EIAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1cccs1 72289082 FWNJZLGOTPIYPG-OAHLLOKOSA-N 336.432 4.111 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1 78404108 ZGNAPQOPULATBM-CQSZACIVSA-N 344.480 4.187 0 40 EIAB C[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1nc(C2CCCCC2)no1 80573878 NKSJIHLQFGQETD-CYBMUJFWSA-N 346.475 4.010 0 40 EIAB Cc1cc(C(=O)N[C@H](CC(C)C)c2cccs2)c2c(C)noc2n1 84083194 NYHMPNMDLPKEHC-CQSZACIVSA-N 343.452 4.418 0 40 EIAB CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 87141252 CEEAWLGXCIQQJA-KRWDZBQOSA-N 346.858 4.359 0 40 EIAB C[C@H](c1ccncc1)N(C)CC(=O)Nc1cccc(Cl)c1Cl 89910228 WCKYRCPUVMJZCF-LLVKDONJSA-N 338.238 4.020 0 40 EIAB C[C@@H](NC(=O)N(C)C[C@H]1CCCOC1)c1ccc(Cl)cc1Cl 107724942 LNQADWKVRANEBI-VXGBXAGGSA-N 345.270 4.122 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccc(C)cc1 216346619 QJHCONPYLDXSOR-SFHVURJKSA-N 347.455 4.200 0 40 EIAB CC1(C)C[C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2O1 225032578 BCVYAZOJLPSLII-MRXNPFEDSA-N 329.827 4.301 0 40 EIAB CCN(CC)[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225150392 HRIHGWHVZRDLOZ-QGZVFWFLSA-N 329.465 4.175 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(Cn2ccnc2C)cc1 225298716 XSHCTSZOXYECEV-INIZCTEOSA-N 333.435 4.039 0 40 EIAB CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1ccc(Cl)s1 225709277 PVHGKKKKQDIELT-JTQLQIEISA-N 346.786 4.189 0 40 EIAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1C 225717516 AJPSKSMICDMTFS-OAHLLOKOSA-N 329.469 4.145 0 40 EIAB O=C(CSc1ccc(F)cc1)NCCCc1cc2ccccc2o1 390829859 HCKXDTUXOMBPFG-UHFFFAOYSA-N 343.423 4.413 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccc(Cl)c(C(=O)O)c3)cc2c1 409186564 DUSXXAINQVITDR-UHFFFAOYSA-N 345.738 4.045 0 40 EIAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cncs1 641992994 WXCDCTQZLFJJKZ-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB CCOc1ccc2nc(C)cc(Nc3ccc(C(=O)OC)cc3)c2c1 71883 XQKFHGOIIFFBBZ-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cccs1)CSC2 190360 FBSHBRTWPDCKJI-UHFFFAOYSA-N 341.461 4.241 0 40 EIAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 272405 UMSNFBVWXMOESM-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB COc1ccc(-c2nc3c(C)cccn3c2NC2CCCC2)cc1O 411915 LAHVYFQBLOVBNQ-UHFFFAOYSA-N 337.423 4.378 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1 1934213 HROUMCBDLATOQU-UHFFFAOYSA-N 331.799 4.259 0 40 EIAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 4322968 RUPOAWILIAWVMJ-UHFFFAOYSA-N 333.370 4.261 0 40 EIAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cccs2)c1 4854574 ABDYGHOVGSYLMM-SFHVURJKSA-N 337.448 4.495 0 40 EIAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 5093614 RCDLMGVHXHOYJU-HUUCEWRRSA-N 348.402 4.005 0 40 EIAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 5098234 PUKRBRHXTDIWEJ-DVECYGJZSA-N 347.395 4.020 0 40 EIAB O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1ccco1 5425368 APHSMRAPUNDCSE-UHFFFAOYSA-N 338.340 4.334 0 40 EIAB CCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 6400679 ZCBRJEZSTSGLSN-WJDWOHSUSA-N 327.767 4.083 0 40 EIAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3c[nH]c4ccccc34)ccc12 6421303 YSILZAYCOMKFEO-ZDUSSCGKSA-N 347.370 4.233 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2nc3ccccc3o2)cc1C 7155944 ACXCTAJUUUJNOM-CMDGGOBGSA-N 349.386 4.192 0 40 EIAB c1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)o2)cc1 7161285 SZJMQJYLACWRHN-UHFFFAOYSA-N 342.405 4.140 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1F 7742991 PIQMXLBEZQODDO-UHFFFAOYSA-N 330.359 4.264 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccs2)no1 7947219 XRURVVVTPVXRPH-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB COc1cccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1 9047187 REGRBXYZKKCBJB-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc12 11476817 TUBJHHIQJPKEIH-ZDUSSCGKSA-N 348.431 4.112 0 40 EIAB CN(C)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 12585852 KWMRTYFRXZXNCM-UHFFFAOYSA-N 343.477 4.119 0 40 EIAB Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12604139 RQHXBABKEVNKJI-HYSAVQALSA-N 331.419 4.248 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(C)cc2)cc1 20484630 SNKOTQSUNRGIHY-INIZCTEOSA-N 343.492 4.233 0 40 EIAB Cc1ccc2c(NC(=O)C(c3ccccc3)c3ccccc3)noc2n1 23128143 BZCVUDDXUSLEAI-UHFFFAOYSA-N 343.386 4.302 0 40 EIAB CC[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1OC(F)F 27358755 SNUHQQGIKZCTLI-OAHLLOKOSA-N 337.341 4.237 0 40 EIAB COc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1Cl 28287501 GDIXMIVDFWVBHR-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB Cn1cc(CCCN2CCc3sccc3[C@H]2c2cccs2)cn1 40151484 VZJKLSMYFVYJSU-SFHVURJKSA-N 343.521 4.123 0 40 EIAB CCN(C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)cc1C 45510801 BBUNKPLKJDQIJU-UHFFFAOYSA-N 336.435 4.097 0 40 EIAB Clc1snnc1CN(Cc1ccco1)Cc1cccs1 52916680 PTUVJRDIEOHZSB-UHFFFAOYSA-N 325.846 4.048 0 40 EIAB C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H](c2ccccc2)O1 63581665 LEVAYHYETPBUAI-KBXCAEBGSA-N 340.448 4.365 0 40 EIAB CC(C)(C)c1cnc(CSc2nnc(Cc3ccccc3F)o2)o1 67954815 GRRIYILEWBTEJM-UHFFFAOYSA-N 347.415 4.377 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2C)c1 71761167 GTJYYFYWNCOQLH-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2ccc(F)cc2n1 71802744 WCVCCXUQBYOIRJ-NSHDSACASA-N 340.320 4.097 0 40 EIAB O=C(Nc1cccc2ccccc12)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344730 ZDEABBAHRCGTOK-MSOLQXFVSA-N 345.398 4.353 0 40 EIAB Cc1cc(C)nc(Sc2ccc(NC(=O)CC(F)(F)F)cc2)n1 84114662 QQMPKQFVOPEIBQ-UHFFFAOYSA-N 341.358 4.136 0 40 EIAB O=[S@](Cc1cccc(NCc2cscn2)c1)c1ccccc1 89847820 YUAGJWKBIKDDKU-QFIPXVFZSA-N 328.462 4.063 0 40 EIAB COc1cc(CNc2ccc(NC(=O)C3CC3)cc2)ccc1SC 95428530 QJWRBFXJSLIJAF-UHFFFAOYSA-N 342.464 4.378 0 40 EIAB Cc1nnc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)s1 96183810 PWUPJGIWJPWRLH-UHFFFAOYSA-N 335.772 4.138 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 113970211 XSWLFDLJWFKSGA-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB COC[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O 118930973 WACMAERIMWMBMZ-PFJVNDLRSA-N 348.527 4.222 0 40 EIAB COc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 170564445 CGNVMEJRDSJHOJ-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 219499454 NSLWZLQPTNDXBT-WMZOPIPTSA-N 341.451 4.366 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2ccc(C)cc2C)cc1 222823814 BJJQXLNQWOTOPB-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223217860 VQIFNSJACZBEAO-JKSUJKDBSA-N 337.463 4.382 0 40 EIAB Cc1ccccc1Nc1ccc(NC(=S)NCc2cccnc2)cn1 223941240 FSKLUVJOQRRMKN-UHFFFAOYSA-N 349.463 4.015 0 40 EIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 224421615 KYBZNOKVRKCHSB-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB Cc1cc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)ccc1Cl 225061102 WSZHEVDWUIORAD-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CC(C)CSc1nnc(NC(=S)Nc2ccc(F)cc2)s1 225461660 UUGJLBSTVMDNSU-UHFFFAOYSA-N 342.490 4.234 0 40 EIAB CC[C@H](NC(=S)Nc1cccc(C)c1)c1ccc(OC)c(OC)c1 225717617 QUXAGGMZDMEBGD-INIZCTEOSA-N 344.480 4.450 0 40 EIAB Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccccc2)n1 411577 XHCGIAYRSQQIBD-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB CSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 413192 YVRAYUQORPIMFR-QMMMGPOBSA-N 330.482 4.063 0 40 EIAB O=C(Nc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1 2632678 LYVVEHRXYPXJRS-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1 4077317 QDGYCGFPTJMMMY-UHFFFAOYSA-N 349.459 4.109 0 40 EIAB Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 4293505 GAZMCGHPHRQBPT-SFTDATJTSA-N 349.455 4.482 0 40 EIAB biogenic Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)cc1 5446626 YTJILCCPFZPZBS-HKUYNNGSSA-N 340.854 4.097 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CCn1c(=O)sc2ccccc21 5451556 DHOSBOIEDNVWRD-UHFFFAOYSA-N 346.839 4.054 0 40 EIAB CCOC(=O)n1c(SCc2cccc(F)c2)nc2ccccc21 5607951 ZDRDOESTJWKDAS-UHFFFAOYSA-N 330.384 4.472 0 40 EIAB COc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1 5880404 FKEDVMOFFJHVGJ-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB Cc1noc(C)c1COc1ccc(C(=O)NC2CCCCCC2)cc1 6284167 DWYUZAYXVHUKQZ-UHFFFAOYSA-N 342.439 4.323 0 40 EIAB Cc1ccc(C2=Nc3ccc(C)cc3C(c3cccnc3)=NN2)cc1 6533801 KBKADOJPAJQQHT-UHFFFAOYSA-N 326.403 4.132 0 40 EIAB Cc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)cs2)cc1 6881232 FTAYQTHIRQGETE-UHFFFAOYSA-N 329.446 4.092 0 40 EIAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1nccs1 7401144 ZURUQLOJLDTDBM-UHFFFAOYSA-N 335.841 4.101 0 40 EIAB COc1ccc(NC(=O)c2sc3ccccc3c2C)c(OC)c1 7461881 HZQSMPWFWJTDQP-UHFFFAOYSA-N 327.405 4.479 0 40 EIAB COc1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 8035493 HEKQKRWRTRIRJB-UHFFFAOYSA-N 335.403 4.204 0 40 EIAB Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)s1 8103596 DCBLRMKAMFWJBC-UHFFFAOYSA-N 342.489 4.347 0 40 EIAB O=C(COc1ccc(Cl)c2cccnc12)NCCC1=CCCCC1 8394359 IGOJEZARVCNUQX-UHFFFAOYSA-N 344.842 4.274 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(Br)cc3C)cc2n1 8798715 KMUOKJTXQPAEPG-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccccc1Br 11201421 GHQIIAAQVBYANJ-INIZCTEOSA-N 330.225 4.330 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ncccc1Cl 11250978 DAWMXSKQOIPPTD-LLVKDONJSA-N 336.844 4.171 0 40 EIAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)c(Cl)c1 12775631 VYBNKKCGUGCPCB-UHFFFAOYSA-N 328.843 4.497 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3occc3C)n2)cc1F 12779627 YIGMRLSXRNPARP-UHFFFAOYSA-N 332.356 4.112 0 40 EIAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1 13617746 IHNXTLZQWXHAEJ-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB CCCCOCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 13692098 VSGPSWBNWMMAAD-INIZCTEOSA-N 331.456 4.296 0 40 EIAB C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 15340109 XFMAMRAFJOLZCA-MRXNPFEDSA-N 329.399 4.409 0 40 EIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccccc2F)c1C 19558099 VCMCCADDKVTICR-KRWDZBQOSA-N 340.402 4.158 0 40 EIAB Cc1cccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20111106 WLHPBEGSBWOLDN-UHFFFAOYSA-N 336.479 4.157 0 40 EIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1C(F)(F)F 24889905 MHVGOBGDXLVHCI-UHFFFAOYSA-N 331.297 4.348 0 40 EIAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 26637983 DGOXWLXVSXBMKX-AWEZNQCLSA-N 338.382 4.291 0 40 EIAB Cc1nn(-c2ccc(NC(=O)c3cccs3)cc2)c(C)c1Cl 28247440 JZDBMNHCEWPJPR-UHFFFAOYSA-N 331.828 4.456 0 40 EIAB CCc1cc(C(=O)OC)c(NC(=O)Nc2ccc(F)cc2F)s1 32610919 HWCFKCOMRQKBHG-UHFFFAOYSA-N 340.351 4.019 0 40 EIAB CCN(CC)[C@@H](CNC(=O)C(C)(C)c1ccccc1)c1ccccc1 32903886 LYYDTACEWCLSHC-FQEVSTJZSA-N 338.495 4.164 0 40 EIAB COc1ccccc1-n1c(SCc2cccnc2)nc2cccnc21 35289492 ZRDCIMLUBRXRPK-UHFFFAOYSA-N 348.431 4.116 0 40 EIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 35476423 YMLZPLVWQFPJLC-IBGZPJMESA-N 343.492 4.446 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@@H](c2ccc(O)cc2)C1 36357350 ULFAADPOFHYTCX-CYBMUJFWSA-N 339.782 4.355 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N[C@H]1CCCC[C@H]1C 36396272 KEDBRAGCGPOSJY-VYDXJSESSA-N 328.456 4.121 0 40 EIAB CC[C@H]1CN(CCCc2ccc(COc3ccccc3)cc2)CCO1 38792281 RRLSRCWBXFIFHP-NRFANRHFSA-N 339.479 4.309 0 40 EIAB biogenic OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2cccc(F)c2)C1 40287461 MZYSSDWGTUQBBA-ZDUSSCGKSA-N 343.308 4.413 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC[C@H](c1ccsc1)N(C)C 43340280 NNMZIVCWJBOSGM-QGZVFWFLSA-N 345.512 4.297 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 48344247 XIBKNQWCQVERKE-KRWDZBQOSA-N 332.419 4.267 0 40 EIAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1Cc1ccccc1Cl 55524104 XLIJHLNPMVEXQO-OAHLLOKOSA-N 339.826 4.064 0 40 EIAB Cc1ccoc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O 69417891 BEFAYBKDMGUXLB-UHFFFAOYSA-N 332.425 4.048 0 40 EIAB CC(C)n1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O 70666367 VUHNNCKEHJIAKA-UHFFFAOYSA-N 345.402 4.316 0 40 EIAB biogenic O=C(CCc1cccnc1)NC1c2ccccc2Oc2ccccc21 89857847 MMEZSQIONMRCIL-UHFFFAOYSA-N 330.387 4.026 0 40 EIAB COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1Cn1cccn1 95419418 SCIFRFILUMUNJU-HOTGVXAUSA-N 339.439 4.253 0 40 EIAB CNC(=O)c1cccc(CN[C@@H](C)c2ccc(OC)c3ccccc23)c1 95420958 MCDUPVXZZYQSPG-HNNXBMFYSA-N 348.446 4.059 0 40 EIAB O=C(c1ccc(Cl)o1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95434235 PGQSRWLOXXITKX-CHWSQXEVSA-N 337.803 4.035 0 40 EIAB COc1ccccc1Oc1ccc(CN[C@@H](C)c2cnccn2)cc1 95967873 ZANBYDZPEWZJRD-HNNXBMFYSA-N 335.407 4.128 0 40 EIAB Cc1sc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1-c1ccc(F)cc1 95992231 VBXHNTFCGKOVBG-TXEJJXNPSA-N 333.428 4.112 0 40 EIAB COCCCCOC(=O)c1cc2cc(C)cc(Br)c2o1 96013410 YLACRWJWDOLPRT-UHFFFAOYSA-N 341.201 4.087 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSC(C)(C)C 113954306 GISXZQUWVMOIKN-ZDUSSCGKSA-N 329.893 4.145 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 219543549 UDBLFRPAZGHPLD-SFHVURJKSA-N 325.452 4.128 0 40 EIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1cccc(F)c1 224290794 KFWGBLKPIACMRL-UHFFFAOYSA-N 342.305 4.191 0 40 EIAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COCc2ccccc2)c1 224355922 LAZYRYINJJDDLW-MRXNPFEDSA-N 341.451 4.330 0 40 EIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1ccccc1Cl 225598550 HIHOUQMTDPQYNT-RCQQVGEISA-N 341.838 4.036 0 40 EIAB CN(C(=O)CCc1ccsc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273333044 URFXUYYOTCQXDW-MSOLQXFVSA-N 347.455 4.199 0 40 EIAB O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cc2ccccc2c(O)n1 577928695 BDQMQGMZXFIMET-FUHWJXTLSA-N 346.430 4.397 0 40 EIAB ClC1(Cl)C[C@@H]1c1noc(Cc2coc(-c3cccs3)n2)n1 585120625 YHEVYXHEZLTJLI-MRVPVSSYSA-N 342.207 4.038 0 40 EIAB COc1ccc(-c2nnc(-c3ccccc3C)o2)cc1Br 359177 ZQWGEKFEBUASTE-UHFFFAOYSA-N 345.196 4.483 0 40 EIAB CCSc1nnc(COc2ccccc2C)n1Cc1ccccc1 419613 LUOCDRHEDJSFCI-UHFFFAOYSA-N 339.464 4.326 0 40 EIAB CC(C)Oc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 529953 LRGOIYRIKPHRNJ-KRWDZBQOSA-N 342.464 4.268 0 40 EIAB Cc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)n1N 530509 RDRKYKAGCZTQSD-UHFFFAOYSA-N 348.834 4.052 0 40 EIAB CCOc1ccc([C@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1 531683 XORDCRPUQVSDOW-RTBURBONSA-N 334.423 4.132 0 40 EIAB Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 2248735 WXEWSZXEKYFIBD-UHFFFAOYSA-N 326.399 4.420 0 40 EIAB Cc1nn2c(C(F)(F)F)cc(C(C)(C)C)nc2c1Br 2786692 BHRNUTPBMNSXMK-UHFFFAOYSA-N 336.155 4.117 0 40 EIAB CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 3503720 YEUDDWZBPPZZDZ-UHFFFAOYSA-N 325.437 4.417 0 40 EIAB CCCC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3512034 APNGNOYTNKMLNG-UHFFFAOYSA-N 327.405 4.159 0 40 EIAB O=c1c2oc3ccccc3c2ncn1Cc1cccc(C(F)(F)F)c1 3908586 PZOYGWSEYPXBII-UHFFFAOYSA-N 344.292 4.210 0 40 EIAB Cc1nc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2nc1C 4717571 SLDADTZKVQKFJF-UHFFFAOYSA-N 347.752 4.431 0 40 EIAB CC1(C)C2=C[C@@H]3N(CC(=O)N2c2ccccc21)c1ccccc1C3(C)C 5261055 DTSHYNRAYNNFJW-IBGZPJMESA-N 344.458 4.375 0 40 EIAB Cc1ccc(Cl)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 5342522 NZTBXUUHYGLZFT-UHFFFAOYSA-N 333.859 4.112 0 40 EIAB Fc1ccccc1OCCSc1ncnc2sc3c(c12)CCC3 6112450 DQIUDBINICLXAM-UHFFFAOYSA-N 346.452 4.490 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 6168277 LOQGKAZXHSLWRT-NVXWUHKLSA-N 342.483 4.320 0 40 EIAB O=c1[nH]c(/C(Cl)=C/c2ccc(F)cc2)nc2cc(Cl)ccc12 6382865 ZBFZEKPWQVCVEV-QPEQYQDCSA-N 335.165 4.453 0 40 EIAB C[C@H](NC(=O)CN1CCCCCC1)c1ccc(Cl)cc1Cl 6602164 WIZSQNWCIBHXEW-LBPRGKRZSA-N 329.271 4.047 0 40 EIAB Cc1sc(NC(=O)Cc2ccc(F)cc2)nc1-c1ccccc1 6968803 QFNNKSSLHVZKHW-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB CC(C)Cn1cnc2c(NC(=O)c3ccco3)nc3ccccc3c21 9060637 WZZQULAGSXLKKY-UHFFFAOYSA-N 334.379 4.086 0 40 EIAB O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 11009105 DGRVTWXQVREJEI-INIZCTEOSA-N 340.814 4.169 0 40 EIAB C[C@@H](CN1CCC[C@@H](n2c(=O)oc3ccccc32)C1)c1ccccc1 12119143 QZBANVDLACHLEC-FUHWJXTLSA-N 336.435 4.035 0 40 EIAB Cc1cc(C(=O)c2cc3cc(Br)ccc3o2)c(C)n1C 12750088 DWZVZGUBVGPMHL-UHFFFAOYSA-N 332.197 4.382 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)CCNC(=O)c1cccs1 12927012 UTDYTOYCPJWNMY-ZDUSSCGKSA-N 330.453 4.020 0 40 EIAB CCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 14257063 SVLQUUIFKKWEJN-UHFFFAOYSA-N 339.844 4.102 0 40 EIAB Cc1ccc(O)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 15616020 JYMWCAWQOQIBQF-UHFFFAOYSA-N 344.461 4.124 0 40 EIAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1 15836303 PXRUNHYDVXLHCT-QGZVFWFLSA-N 349.521 4.472 0 40 EIAB Cc1nn(-c2ccc(C(=O)N(C)Cc3ccco3)cc2)c(C)c1Cl 17790360 PZWNLSDKRFWWQJ-UHFFFAOYSA-N 343.814 4.008 0 40 EIAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)C(C)C)c2)cc1 19691389 KRLUWTLIFIDJLX-FQEVSTJZSA-N 338.451 4.385 0 40 EIAB c1coc(-c2noc(CSC3=Nc4ccccc4CS3)n2)c1 23007272 AHGIVYRRCAVYJD-UHFFFAOYSA-N 329.406 4.497 0 40 EIAB Cc1cccc(C)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 24014433 OTJISIDVNRPJCE-UHFFFAOYSA-N 349.434 4.300 0 40 EIAB Cc1cnc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)s1 24679556 SQVYPURMNFLBRW-UHFFFAOYSA-N 344.415 4.152 0 40 EIAB O=C(Nc1ccccc1)[C@H]1CCCN1Cc1cccc2ccccc12 28074346 FWYDSGLISKZDDH-OAQYLSRUSA-N 330.431 4.443 0 40 EIAB COc1ccccc1-c1csc(NC(=O)c2ccccc2F)n1 31991329 DLJSSTWOIYSHHN-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB Cc1c(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)nn1C 32611682 DTMZFEZCUZOLQK-UHFFFAOYSA-N 325.799 4.301 0 40 EIAB CC(=O)NCc1ccc(-c2cn3c(n2)sc2cc(C)ccc23)s1 39978420 WQWJPUDPMJXLOW-UHFFFAOYSA-N 341.461 4.222 0 40 EIAB Cc1ccsc1CNC(=O)CCSc1nc2ccccc2s1 40071042 LMOZIOZLAWWXBN-UHFFFAOYSA-N 348.518 4.465 0 40 EIAB Cc1ccc(NC(=S)NCc2cccc(CN3CCCC3)c2)cc1 46106373 RDAHUHPWCQINBM-UHFFFAOYSA-N 339.508 4.077 0 40 EIAB Cc1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)cc1C 59471925 ZAPSZDQHQLORKR-CSKARUKUSA-N 329.827 4.165 0 40 EIAB CCc1nc(C[S@@](=O)Cc2nc(-c3ccccc3)oc2C)cs1 64823782 DCVGGVURPVYPNR-QHCPKHFHSA-N 346.477 4.118 0 40 EIAB COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(C)C)C3(C)C)no2)cc1 67890051 KDLFMHJYXDXKQO-BEFAXECRSA-N 328.456 4.305 0 40 EIAB biogenic,in-vitro CCc1nc(CN(C)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cs1 67990253 PMEIXFWFBZFMTJ-UHFFFAOYSA-N 347.871 4.041 0 40 EIAB CC[C@@H](C)Sc1ccc(NC(=O)NCc2ccnc(C)n2)c(C)c1 69570566 VMOLHXYCFZTGKI-CYBMUJFWSA-N 344.484 4.306 0 40 EIAB Cc1ccnc(-c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)n1 71909236 LMHNMBDRQWCUHW-UHFFFAOYSA-N 344.418 4.042 0 40 EIAB CC(C)CCO[C@@H]1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 75107285 KTKCJRJEHUBAFY-MRXNPFEDSA-N 349.519 4.039 0 40 EIAB CCO[C@H](CCNC(=O)CSc1ccc2ccccc2c1)C(C)C 76092848 PQGDQSPYDUGIGO-LJQANCHMSA-N 345.508 4.499 0 40 EIAB O=C(CC(c1ccccc1)c1ccccc1)NCC[C@@H](O)c1ccco1 77111317 YYHMBPFFJYOICE-HXUWFJFHSA-N 349.430 4.042 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C 78912557 KMGDCBDJKGAFHV-HOCLYGCPSA-N 325.412 4.222 0 40 EIAB COC(=O)[C@]1(C)CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 89893478 LIDQKTMVGDEGAK-HXUWFJFHSA-N 346.471 4.350 0 40 EIAB O=C(O)c1ccc(/C=C/C(=O)c2ccc(F)cc2Br)cc1 95418366 NYLHFGXCLNYXET-FPYGCLRLSA-N 349.155 4.183 0 40 EIAB c1coc(CNc2nnc(S[C@@H]3CCc4ccccc4C3)s2)c1 95941657 UTLDGLJYCFOFPO-OAHLLOKOSA-N 343.477 4.393 0 40 EIAB CN(C)C(=O)Cc1ccc(NCc2csc(C3CCCC3)n2)cc1 95964697 GNYXLZSBMNISEW-UHFFFAOYSA-N 343.496 4.044 0 40 EIAB Cc1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c2ncccc2c1 97113537 PTQVOEQVJUPRNB-KRWDZBQOSA-N 335.411 4.025 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1 113960326 ZBEOKRIOLANFHG-VQIMIIECSA-N 341.451 4.347 0 40 EIAB Fc1ccc(Nc2ncc(Br)c(Cl)n2)cc1Cl 143656338 QUPOYEXYLGGOHX-UHFFFAOYSA-N 336.979 4.429 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccccc2C)c1 223600541 VLEYZNQCJKYICH-MRXNPFEDSA-N 325.452 4.204 0 40 EIAB Cc1cccc(OCCNC(=O)CCSCc2ccccc2)c1C 223937569 VIENVWJTJDETTO-UHFFFAOYSA-N 343.492 4.122 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)c1ccccc1 224444720 VQOQAYDZZUOSQZ-KSSFIOAISA-N 331.843 4.417 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccccc2C)c1 225753370 ZXPYIFKCKSEIIG-CQSZACIVSA-N 342.464 4.138 0 40 EIAB O=C(Oc1ccccc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1Cl 408528109 RONGVIBVNWFPSI-BQYQJAHWSA-N 338.146 4.460 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1c[nH]c2ccccc2c1=O 408713025 HAJFTHKAWIXNMD-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB CCn1cc(C(=O)Nc2c(C)cc(C)cc2C)c(=O)c2ccccc21 408713191 NNQOZNBSKOBOSQ-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB CC(C)(CO)[C@@H](NC(=O)c1cc2occc2s1)c1cccs1 616856266 CPNAJGCTSIDLNT-AWEZNQCLSA-N 335.450 4.045 0 40 EIAB O=C(Nc1ccc2c(c1)CCCCC2)c1cccc(Cn2ccnc2)c1 1585357674 JQMHKOBAVFGOGH-UHFFFAOYSA-N 345.446 4.453 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)O)c1 45789 AAMUMZIWCNQAPC-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 89850 SRHOZZVOGMCUTA-UHFFFAOYSA-N 349.839 4.319 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 364665 NVFIZKVNBHDUPA-GFCCVEGCSA-N 334.213 4.164 0 40 EIAB COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 511952 VQKQXVRZPZTWII-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB O=C(COc1cccc2ccccc12)Nc1ccccc1N1CCCC1 543741 QDJGXBQCFZEHAD-UHFFFAOYSA-N 346.430 4.458 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 573745 NOPWFNUFMNOQQI-GJZGRUSLSA-N 338.451 4.024 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)cc2)c1 574418 IHCRDDYPDXEBLG-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1C 1085172 CGBCRBYNAHLMOW-ULQDDVLXSA-N 329.440 4.166 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 3148975 DQQURHNJTWFSNQ-SNVBAGLBSA-N 330.236 4.033 0 40 EIAB Fc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1 3338449 JJPUUUNXCNSNJX-UHFFFAOYSA-N 330.366 4.443 0 40 EIAB Cc1cc2oc(=O)cc(CSc3nncs3)c2cc1C(C)C 3413168 JJFOWGZJAYNIEE-UHFFFAOYSA-N 332.450 4.369 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1COc2ccccc2O1 3559607 WYYZQMGCFNBMAG-HXUWFJFHSA-N 331.371 4.132 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccncc1 3560619 ZCMKIABAILBBDT-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1 4356429 KVIUWUKCDXKEIK-UHFFFAOYSA-N 342.370 4.397 0 40 EIAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1cccs1 5358464 WUAWLZHRRXXQJP-UHFFFAOYSA-N 347.490 4.378 0 40 EIAB Cc1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 6035631 PEHJUWOYCTVAFO-UHFFFAOYSA-N 326.377 4.066 0 40 EIAB Cc1ccccc1OCCOC(=O)c1c(-c2ccccc2)noc1C 6790115 IRBACGKLNDLBLX-UHFFFAOYSA-N 337.375 4.194 0 40 EIAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3F)c2)cs1 7109242 GTENWEDAUNLTSI-UHFFFAOYSA-N 348.424 4.058 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCc2ccc(F)cc2)c1 7208950 FKYWRJXULSRZPP-UHFFFAOYSA-N 331.456 4.035 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2)cc1 7267335 BKCGPRHWXSXFIX-ZDUSSCGKSA-N 344.842 4.002 0 40 EIAB COC(=O)c1ccc(-c2ccc(CNCc3ccc(C)cc3)o2)cc1 7539340 YDKJFSFBLQGUMD-UHFFFAOYSA-N 335.403 4.331 0 40 EIAB CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 7969773 PVDCDPAPMMLEOF-AUUYWEPGSA-N 327.424 4.472 0 40 EIAB O=C1CCc2cc(-c3csc(COc4ccccc4)n3)ccc2N1 8042381 QXHYTMRDSBLWLI-UHFFFAOYSA-N 336.416 4.274 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1 9064158 GTSCMYUHRSDGIX-UHFFFAOYSA-N 326.465 4.499 0 40 EIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccc(C)c1 11952510 IJOCBRHQXLRCAQ-VOTSOKGWSA-N 332.783 4.334 0 40 EIAB Cc1ccc(-c2nc(NC3CCCC3)ncc2-c2ccncc2)cn1 12232702 OMZDSBDONQULSN-UHFFFAOYSA-N 331.423 4.264 0 40 EIAB O=C(NC1CC1)[C@@H](Sc1nc(-c2ccccc2)c[nH]1)c1ccccc1 12794627 AIHVHTLDVIMPIN-SFHVURJKSA-N 349.459 4.189 0 40 EIAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc2ccccc12 14077804 BQTSQOFYEIYTMJ-HNNXBMFYSA-N 342.398 4.294 0 40 EIAB c1ccc(-c2nc(CSc3nnc(NC4CC4)s3)co2)cc1 14184025 KWJUBTZSMLYNMX-UHFFFAOYSA-N 330.438 4.060 0 40 EIAB COc1ccccc1-c1cc2nc(C)cc(NCc3ccccc3)n2n1 15670913 QLZCDNNHMUOWCT-UHFFFAOYSA-N 344.418 4.325 0 40 EIAB COc1cccc(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 16356318 UVYWEQXFGQJWIG-UHFFFAOYSA-N 343.814 4.031 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)CCCCC(=O)N1[C@@H](C)CCC[C@@H]1C 17070790 UFQWQGQEWQONBQ-XSLAGTTESA-N 336.520 4.126 0 40 EIAB C[C@H](NC(=O)NCCc1ccccc1)c1ccccc1Br 17115801 QBPLWODEXTXSIE-ZDUSSCGKSA-N 347.256 4.052 0 40 EIAB O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCCCC1 19933412 QJSUZASEMMIFGB-UHFFFAOYSA-N 334.463 4.266 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(OC)cc1 20456530 RLVGTSWPXKZLLR-IBGZPJMESA-N 341.451 4.128 0 40 EIAB O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc2cccnc12 21552346 DDHVHHSJTRPZSU-UHFFFAOYSA-N 328.318 4.017 0 40 EIAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 23975970 KGIQVLXKHJECNL-JTQLQIEISA-N 325.742 4.432 0 40 EIAB CCC(CC)c1nnc(NC(=O)CCC(=O)c2ccc(C)cc2)s1 26561844 HVYZKJNOYOCKSO-UHFFFAOYSA-N 345.468 4.352 0 40 EIAB Cn1ccnc1[C@H](NCc1ccc2ccccc2c1)c1ccccc1 30643384 QYKFJHXEZIHLAK-OAQYLSRUSA-N 327.431 4.453 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Br)o2)c2cccnc12 31092018 SONUHKSSCFRVJA-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB Cc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccncc4)c23)cc1 36618479 MJDQBIRWGWSJIU-UHFFFAOYSA-N 344.374 4.154 0 40 EIAB O=C(Nc1ccc2ccccc2c1)[C@H]1CC(c2cccc(F)c2)=NO1 36832988 FECWAALVFMDSSH-LJQANCHMSA-N 334.350 4.111 0 40 EIAB Cc1nc2ccccc2nc1COC(=O)Cc1cccc2ccccc12 40158953 UQNHNVJAUBDLOL-UHFFFAOYSA-N 342.398 4.377 0 40 EIAB Cc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)c(C)c1 43142701 FYSOILIFPJTEAW-UHFFFAOYSA-N 337.217 4.323 0 40 EIAB COc1cccc(Cn2c(C)c(C3CCNCC3)c3ccccc32)c1 49453612 KOQRVEMJXZMTRG-UHFFFAOYSA-N 334.463 4.474 0 40 EIAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc23)c1 58218353 BLGRQINMYLHBOA-BLLLJJGKSA-N 333.391 4.015 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H]1c1ccccn1 58308758 IXRMHCSRIDKMBI-JFIYKMOQSA-N 326.827 4.202 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)o1 65533880 KRWGGACGYUIXMT-RDTXWAMCSA-N 347.418 4.132 0 40 EIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C=C(C1CC1)C1CC1 65566637 ICTOCPHVDSLUMA-UHFFFAOYSA-N 335.407 4.262 0 40 EIAB Cc1noc(C)c1C[S@@](=O)C(c1ccccc1)c1ccccc1 69521230 PMJZUWSVYTWUPF-QHCPKHFHSA-N 325.433 4.330 0 40 EIAB CSc1nnc(SC[C@H]2CC(C3CCCCC3)=NO2)s1 69743621 IIDULGGEFZDAMV-SNVBAGLBSA-N 329.516 4.077 0 40 EIAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 70008683 SBZYUUGJHIROPT-CYBMUJFWSA-N 343.427 4.023 0 40 EIAB Clc1ccccc1-n1ncc2c(NCc3cccs3)ncnc21 71195154 ZDOBGFKCUHGZEV-UHFFFAOYSA-N 341.827 4.143 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 71861488 PRISEDVYPMYQLO-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB CSc1ccc(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1 72294173 MPPMOVXKWZOPLL-KRWDZBQOSA-N 330.453 4.044 0 40 EIAB Cc1ccc(OCCCCNC(=O)c2cccc3cccnc23)cc1 78480285 SLGIRFMGNREBFX-UHFFFAOYSA-N 334.419 4.132 0 40 EIAB O=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccccc1Cl 84595021 BIGGWWHSLGJGCV-CQSZACIVSA-N 331.824 4.018 0 40 EIAB CCC[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)sc2C1 89950015 UJUNZKSXDGBDCI-YUELXQCFSA-N 341.480 4.185 0 40 EIAB Cc1nn(C)c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C 95438221 OTOIKGWHXXCURR-UHFFFAOYSA-N 340.814 4.005 0 40 EIAB Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 100864354 SPTDNUYDNPCVID-QMIVOQANSA-N 329.490 4.397 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102299667 KRBRJHDNAYUDKD-WFXMFSGNSA-N 329.484 4.304 0 40 EIAB CC1CCN(Cc2csc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)n2)CC1 102686076 GWTBKBBXVPMIIU-BZUAXINKSA-N 347.528 4.140 0 40 EIAB CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3nccs3)C2)cc1F 184440791 FUPUJQDSDSUPCM-OAHLLOKOSA-N 349.431 4.011 0 40 EIAB C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 194429747 SXRANUOJLBQLQR-BIBXISHDSA-N 327.902 4.332 0 40 EIAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222589111 APLYOUDTQPHMQJ-XKQJLSEDSA-N 326.469 4.053 0 40 EIAB Fc1ccc(CNC(=S)Nc2ncc(Cl)cc2Cl)cc1 223945410 YBLXIGVZOAALMK-UHFFFAOYSA-N 330.215 4.014 0 40 EIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCC1 223948185 HURGGWBIRINYBW-OAHLLOKOSA-N 343.492 4.399 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)c(C)c1 224130369 CUTQWEPWFZYYPN-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COC(C)C 224422227 ZEEHJSFMSSLIBJ-UHFFFAOYSA-N 347.842 4.204 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NC(C)(C)Cc1ccccc1 224949508 NXJDEUTYTNMWQR-IBGZPJMESA-N 325.452 4.290 0 40 EIAB Cc1cc(Cl)ccc1C[C@H](Oc1ccccc1Cl)C(=O)O 225073357 CYYPDXUBGUWCIF-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CC(C)n1ncc(NC(=O)[C@H]2CCc3cc(F)ccc32)c1C1CC1 1615558167 RMSAICRRNMHNOX-INIZCTEOSA-N 327.403 4.149 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)[C@@H]1O[C@H]1C(Cl)(Cl)Cl 160257 LDPFEPGGLUKXDY-DTWKUNHWSA-N 334.413 4.314 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1 253047 WBSFSIDIHCGDMR-UHFFFAOYSA-N 327.311 4.001 0 40 EIAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 284095 JUWAGZALCAMHJW-UHFFFAOYSA-N 349.839 4.319 0 40 EIAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C)C 372383 HYPLTPUQBDHASB-UHFFFAOYSA-N 331.437 4.413 0 40 EIAB C[C@@H]1CN=C(N(Cc2ccccc2)C(=S)Nc2ccccc2)S1 497770 SVFGJAXABSDAJX-CQSZACIVSA-N 341.505 4.377 0 40 EIAB O=C(Nc1ccccc1C(=O)OCc1ccc(F)cc1)c1ccccc1 564080 KUGFOGZNLUYEGR-UHFFFAOYSA-N 349.361 4.435 0 40 EIAB Cc1cccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1C 2159783 ACKPEDAZXKZBMA-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic O=C(CCCc1nc2ccccc2s1)N1CCc2ccccc2C1 2642756 JDBZHWZRKPCJEK-UHFFFAOYSA-N 336.460 4.204 0 40 EIAB CCNc1ccc(C(=O)OCC)cc1NC(=O)Nc1ccc(F)cc1 3254853 ZFTGYOIMKFGWBM-UHFFFAOYSA-N 345.374 4.078 0 40 EIAB Cc1ccc(-c2nsc(SCC(=O)N3CCCCCC3)n2)cc1 4167316 OFYNWDLTWITUOI-UHFFFAOYSA-N 347.509 4.008 0 40 EIAB C[C@@]12COc3ccc4ccccc4c3[C@H]1c1sc(=O)[nH]c1SC2 4337614 MVCHNDAEFUUZBT-KSSFIOAISA-N 341.457 4.226 0 40 EIAB Fc1ccc(-c2[nH]ncc2CNC23CC4CC(CC(C4)C2)C3)cc1 4385520 FNOZTRYIYVBALR-UHFFFAOYSA-N 325.431 4.274 0 40 EIAB CCCCCC1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(C(F)(F)F)C1 4904977 VRFMZBCRZDBOJV-INIZCTEOSA-N 342.361 4.028 0 40 EIAB Cc1cc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)ccc1Cl 5235901 XMKLSDRKWQDAEN-ZDUSSCGKSA-N 339.826 4.056 0 40 EIAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3c(C)cccc3C)[nH]n2)c1 5343590 BIZQRBJIRZQJQT-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB Cc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 5814509 SSSBOYZKMRDGSI-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB O=C1S/C(=C/c2ccccn2)C(=O)N1Cc1ccc(F)cc1Cl 6393644 MMPHGJYXVWYKAE-RIYZIHGNSA-N 348.786 4.111 0 40 EIAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCC[C@H]2C)o1 7525111 JPBKLXZSHIGGHI-CYBMUJFWSA-N 338.411 4.074 0 40 EIAB CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1C1CC1 7618717 GLHANURTBGZDQX-LLVKDONJSA-N 341.440 4.079 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(F)cc1F 8073879 DDXKQXVKIDRQBV-LLVKDONJSA-N 342.345 4.419 0 40 EIAB CCC(CC)C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1 8189402 GQZMLSLIBQACMO-UHFFFAOYSA-N 340.423 4.328 0 40 EIAB CCOCCCNCc1cc(Cl)ccc1OCc1ccccc1 8253162 QHIBZSUYYICFDC-UHFFFAOYSA-N 333.859 4.435 0 40 EIAB CCOCc1ccc(C(=O)Nc2ccc(C)cc2Br)o1 8328029 DXPQENSTBYOJAD-UHFFFAOYSA-N 338.201 4.139 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 8569203 NUGQIXLFGSXSPK-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@H](C)O)c1 8714216 VRGAXDURPYISGQ-STQMWFEESA-N 333.815 4.108 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3ccccc3c2C1 8762389 OJGLRZYZPMTZBA-UHFFFAOYSA-N 343.430 4.167 0 40 EIAB biogenic CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 9454247 RGKMCQDBSSZXAD-CYBMUJFWSA-N 331.799 4.257 0 40 EIAB CCn1c(C)cc(C(=O)CSc2nnc(-c3cccs3)o2)c1C 9762228 KBDBWNFPKSHKGG-UHFFFAOYSA-N 347.465 4.211 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 10260386 SLROEMGZQGQSQO-UHFFFAOYSA-N 338.386 4.114 0 40 EIAB Cc1cn2c(CC(=O)Nc3cccc(Cl)c3Cl)csc2n1 12520711 OXOLDDPBTJLFBP-UHFFFAOYSA-N 340.235 4.192 0 40 EIAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl 12553165 DZPQCKKIYSLPAB-ZBEGNZNMSA-N 332.806 4.083 0 40 EIAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 12679720 RFCTZAXSJUEOCI-RISCZKNCSA-N 343.452 4.143 0 40 EIAB Cc1ccc(C)c(-n2c(S)nnc2COc2ccccc2C)c1 13535152 NOKUBEIYIOEQLV-UHFFFAOYSA-N 325.437 4.060 0 40 EIAB COc1ccc(OC)c2c(C)cc(SCc3cccnc3)nc12 15083443 YWQOZRFVHXJISI-UHFFFAOYSA-N 326.421 4.248 0 40 EIAB Cc1ccc(/C=C2/S[C@@H](N3CCc4ccccc4C3)N=C2O)cc1 16996386 OFZPNSKIPYIDCU-VOMPUTFMSA-N 336.460 4.381 0 40 EIAB COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)cc1 20671955 JPBLREFJVISUMX-CQSZACIVSA-N 347.418 4.390 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(C)C 22259079 ZPBQFJNYPHHYFB-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1)C1CC1 22551519 GLYJNZHERCOAIX-LJQANCHMSA-N 334.419 4.012 0 40 EIAB Cc1cccc(OCCNC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 23391638 OSUPTKFIMQEOGQ-AWEZNQCLSA-N 348.393 4.055 0 40 EIAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(O)c(Cl)c1 24208741 JZSGBCGUDUBUBM-ZDUSSCGKSA-N 337.803 4.152 0 40 EIAB Cc1ccnc(NC(=O)COC(c2ccccc2)c2ccccc2)c1 27648065 BUOXXMVQXOOIDZ-UHFFFAOYSA-N 332.403 4.135 0 40 EIAB CC[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 27680332 GBMBIDADYYCRLI-OXQOHEQNSA-N 333.435 4.243 0 40 EIAB CCN(c1ccc(NC(=O)c2cn3c(C)cccc3n2)cc1)C(C)C 30675408 HMKFKWOUGLIIKH-UHFFFAOYSA-N 336.439 4.130 0 40 EIAB O=C(/C=C/c1ccc2ccccc2n1)NCc1nc2ccccc2s1 30972180 NOPURIVFIKHHLL-VAWYXSNFSA-N 345.427 4.174 0 40 EIAB Cc1cc(S(=O)(=O)Nc2ccccc2SC(F)F)c(C)s1 32532551 YNYGUQIPMIRBGR-UHFFFAOYSA-N 349.449 4.480 0 40 EIAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOc2ccccc21 32624477 IAWZPPVXDHRORH-UHFFFAOYSA-N 340.766 4.034 0 40 EIAB O=C(OCc1coc(-c2cccs2)n1)c1cccc2ncccc12 32872081 BHQWSGIFNRYALC-UHFFFAOYSA-N 336.372 4.308 0 40 EIAB COc1ccc(-c2nc3cnccn3c2Nc2cccc(OC)c2)cc1 35616551 VCAVKEFXRANFAP-UHFFFAOYSA-N 346.390 4.157 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C[C@H](O)c2ccccc2)cc1 37218963 CNUZOMJKZZDSHE-SFTDATJTSA-N 325.452 4.346 0 40 EIAB CCOC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)sc2C)cc1 40072748 WGBKFGDLVTWXCE-GFCCVEGCSA-N 346.452 4.424 0 40 EIAB O=C(Nc1cccc2c1CCCC2)N1CCC[C@H](C(F)(F)F)C1 40098192 WRBVASWGCCTVQD-ZDUSSCGKSA-N 326.362 4.372 0 40 EIAB CCC[C@H](C(=O)Nc1nnc(-c2ccccn2)s1)c1ccccc1 40145853 VKBCIECCUBOFQB-AWEZNQCLSA-N 338.436 4.123 0 40 EIAB CN(C)[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccco1 40160658 NCFZYXJGSGJJGK-LLVKDONJSA-N 333.741 4.062 0 40 EIAB Cc1cccc2nc(CS[C@H](C)c3ccc(F)cc3)cc(=O)n12 45091114 PRBBTGQBAZAVDJ-CYBMUJFWSA-N 328.412 4.136 0 40 EIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(OCCc2ccccc2)cc1 49544388 SGOGNQPIVNHDHB-GOSISDBHSA-N 347.418 4.165 0 40 EIAB CN(CCc1ccncc1)c1ncnc2scc(-c3ccccc3)c12 58357449 YRMGHDGDDXYZDR-UHFFFAOYSA-N 346.459 4.432 0 40 EIAB CCCN(CCC)CN1C(=O)S/C(=C/c2cccc(C)c2)C1=O 59419008 LKBWCJXCPDAGKL-FOWTUZBSSA-N 332.469 4.111 0 40 EIAB COc1cc(NC(=S)Nc2cccc(Cl)c2F)cc(OC)c1 71760625 UKHADXRJATXMPM-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB CC(C)n1c([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2ccccc21 79308070 UUPOIMFQBCMZPY-QGZVFWFLSA-N 348.450 4.032 0 40 EIAB O=C(NCc1nc2ccccc2s1)[C@H]1SCCc2sccc21 79432001 XUBVSDICSYAGBT-HNNXBMFYSA-N 346.502 4.005 0 40 EIAB COc1ccccc1CCC(=O)Nc1ccc2[nH]c(C3CC3)nc2c1 79476815 GXWBRDSQXFBVTC-UHFFFAOYSA-N 335.407 4.020 0 40 EIAB CC(C)n1cc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)cn1 86397529 HDFYSOSKSIGMPI-ZIAGYGMSSA-N 330.432 4.053 0 40 EIAB C[C@H](NCCCc1nc(-c2ccncc2)cs1)c1cncc(F)c1 89669091 FDJQGEMCRRPTSU-ZDUSSCGKSA-N 342.443 4.023 0 40 EIAB O=C(c1ncoc1-c1ccco1)N1CCC(=Cc2ccccc2)CC1 89828166 FESBXJLCWMHHMM-UHFFFAOYSA-N 334.375 4.254 0 40 EIAB Fc1cc(Br)c(NCc2noc3c2CCCC3)cc1F 95444421 UEONNPFACXNULD-UHFFFAOYSA-N 343.171 4.206 0 40 EIAB CCOCc1ccccc1NC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 95965227 WPEZBRZRLONFAI-HZPDHXFCSA-N 336.501 4.361 0 40 EIAB Cc1ocnc1CNC(=O)Nc1ccc(SC2CCCC2)cc1 95984733 QJAXJFDFNRPDFF-UHFFFAOYSA-N 331.441 4.339 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)NCc1cc(Cl)ccc1OC 96415241 LXGJJDJPBNORBU-INIZCTEOSA-N 347.846 4.036 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 113956047 FOSXTPLJXKFSLH-OAHLLOKOSA-N 325.742 4.414 0 40 EIAB Cc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 137874450 ACEPTCTXSOGEKD-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4F)nc3c2)C[C@H](C)O1 216790780 IMNXTSOEVDWOQW-KBPBESRZSA-N 340.398 4.243 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(F)cc1 219588048 DGZLRIIRGHJDJS-LJQANCHMSA-N 329.415 4.041 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(OC)c(C)c1 223049233 YBVYZFADEUCKAM-KBXCAEBGSA-N 345.414 4.178 0 40 EIAB CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 223450930 CEVLYZJVRYWVCF-HFBDAHEESA-N 349.471 4.058 0 40 EIAB CCc1ccc(CC(=O)NCCOc2ccccc2C(C)C)cc1 223832817 AFQOGLJLNITIRL-UHFFFAOYSA-N 325.452 4.110 0 40 EIAB COc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1Cl 225123805 VBCMQPPVVNSYIA-KRWDZBQOSA-N 334.799 4.040 0 40 EIAB COc1ccc(OCC2=CC(C)(C)N(C(C)=O)c3ccccc32)cc1 2033970412 UZACYZUBTPRJET-UHFFFAOYSA-N 337.419 4.303 0 40 EIAB CCc1ccc(C(=O)CNc2nc3c(OC)cccc3s2)cc1 151659 CWPUZZQQQRJNDV-UHFFFAOYSA-N 326.421 4.162 0 40 EIAB Cc1ccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)N3CCCN23)cc1 546619 AXKJDISEYVHZNG-KRWDZBQOSA-N 327.815 4.210 0 40 EIAB CCN(CC)C(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N 1342933 LXSTZUXARCIHBJ-UHFFFAOYSA-N 327.453 4.131 0 40 EIAB Cc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1398443 HVRYCWAARFUFCN-UHFFFAOYSA-N 347.418 4.081 0 40 EIAB CCc1cccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)c1 2112656 CLGURCHTOBHDAQ-UHFFFAOYSA-N 335.403 4.274 0 40 EIAB biogenic CC[C@@H](C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1 2161202 GGNAKHXMYIEERM-GOSISDBHSA-N 336.435 4.029 0 40 EIAB biogenic C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCCC1 3211538 GCGQKWVEEUIHKE-PBHICJAKSA-N 329.469 4.095 0 40 EIAB Cc1cccc(NC(=S)NC[C@@H](c2ccco2)N2CCCC2)c1C 3439471 XDOHMSOZBVLIAS-KRWDZBQOSA-N 343.496 4.020 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 4314929 JIGCPLFQKYBUQB-UHFFFAOYSA-N 339.826 4.236 0 40 EIAB CCOc1cccc2sc(NC(=O)CSc3ccccc3)nc12 4496623 ZDRJUFGOCIWSQN-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB COc1ccc(N(C)C(=O)Nc2ccc3nc(C)sc3c2)cc1 4705181 QOEMPDOLUKRSSH-UHFFFAOYSA-N 327.409 4.282 0 40 EIAB Cc1ccc2cccc(OCC(=O)N[C@H](C)CCc3ccccc3)c2n1 5198605 RYSRPEUJJVNCHJ-MRXNPFEDSA-N 348.446 4.060 0 40 EIAB CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN12 5215493 MPGFHMWXMINLQJ-HKUYNNGSSA-N 342.439 4.448 0 40 EIAB CCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C 5269613 RGPZIRPMOXCGBS-UHFFFAOYSA-N 340.810 4.207 0 40 EIAB COc1cccc(C(=O)Nc2nc3ccc(SC)cc3s2)c1 5299094 MRCSWDYBCAWQPC-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)c1 5563129 JRXMHEQUTXSRRM-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB CCOC(=O)[C@H](Cc1ccc(Cl)cc1)P(=O)(OCC)OCC 5575499 VHFAWKBEYCWBFW-AWEZNQCLSA-N 348.763 4.080 0 40 EIAB NC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 5734436 DOVIBCPHDNLZGU-KQXORWHBSA-N 331.419 4.362 0 40 EIAB O=c1c(Cc2ccccc2)c(O)cc(-c2ccco2)n1-c1ccccc1 6557633 PBGSUMRMSPGVHV-UHFFFAOYSA-N 343.382 4.394 0 40 EIAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cn1 6560052 ZEDKWTCJFSIFOD-UHFFFAOYSA-N 346.761 4.485 0 40 EIAB COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CCO[C@@H]21 6950723 BCHTUWOKUZEXKR-HFTRVMKXSA-N 343.810 4.371 0 40 EIAB Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)c(Cl)c1 7060247 JTRALDFBIZLRBV-UHFFFAOYSA-N 326.227 4.277 0 40 EIAB Cc1ccccc1SCC(=O)OCC(=O)c1ccc(Cl)s1 7783304 OJBZOUIFSJVCGS-UHFFFAOYSA-N 340.853 4.228 0 40 EIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N1CCCCCC1 8135598 FHTHSGYDOLXKOO-NSHDSACASA-N 337.876 4.100 0 40 EIAB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)O 8367861 CWBRBWVVBJZPMU-AWQFTUOYSA-N 347.798 4.179 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)c(Cl)c1 8477760 KNMQPUWGMKNDLZ-AWEZNQCLSA-N 337.778 4.284 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C 9062872 GNSLQLGWLVZDOC-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1OC 9114168 UJHOYWWWIFJSNX-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB O=C1C[C@H](c2cccs2)Cc2nc(N3CCc4ccccc43)ncc21 9264512 XSNPLVKXWRJPOD-CQSZACIVSA-N 347.443 4.145 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 9454216 HJPVQPBHXXWYMD-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB Cc1cccc(OCCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 10406951 KYXDTEGXWZFJIC-UHFFFAOYSA-N 327.468 4.097 0 40 EIAB Cc1cccc(CSCC(=O)Nc2ccc(N3CCCC3)cc2)c1 10428844 JEXPWORIMWUXFG-UHFFFAOYSA-N 340.492 4.467 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 11999882 DXDNEDPWTIISFY-ZHACJKMWSA-N 332.403 4.247 0 40 EIAB Cn1/c(=N/C(=O)CCCSc2ccccc2)sc2ccccc21 12563863 VEZAAKZGNGUPON-HNENSFHCSA-N 342.489 4.240 0 40 EIAB COc1ccccc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 12618595 HLQNSMPOCXZLOS-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 12821576 UUYYRYNFKUNYNK-LJRGRFNSSA-N 347.764 4.008 0 40 EIAB CC(C)c1ccc(N2C[C@H](c3nc(-c4ccccc4)no3)CC2=O)cc1 13036978 FIHSEIUBUSXSCL-QGZVFWFLSA-N 347.418 4.381 0 40 EIAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1C(=O)O 13171845 JIQZDBVGWRUECT-UHFFFAOYSA-N 347.798 4.423 0 40 EIAB COc1ccc(CNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 14162195 WGQNTRWZALUGTM-UHFFFAOYSA-N 349.386 4.088 0 40 EIAB COc1ccccc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832467 CSKMBQVMYCEHNS-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1cccs1 17909508 UDBXHOHEVBXXLO-JTQLQIEISA-N 344.263 4.181 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)C(C)C)cc1 19310907 SRNJQXPLJFBHOB-LIRRHRJNSA-N 345.414 4.115 0 40 EIAB COc1cc(C(C)=O)ccc1OCc1cccc(Br)c1 19430616 KJQRHLZMLUBBLP-UHFFFAOYSA-N 335.197 4.239 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1F 20137739 GOGMUOYTLROZNX-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(OC)cc1 20482994 HBWSKXZAISURLD-APWZRJJASA-N 341.451 4.347 0 40 EIAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1Cl 22087880 FMMYKTPSQBAQCH-UHFFFAOYSA-N 337.810 4.267 0 40 EIAB C[C@H]1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2S1 22192112 IMSZTGVBTHXQOP-HZMBPMFUSA-N 330.280 4.488 0 40 EIAB COc1ccc(-n2ccnc2S[C@H](C)c2nc(C(C)C)no2)cc1 23053631 CBYSCRZYPNBNPR-GFCCVEGCSA-N 344.440 4.241 0 40 EIAB O=C(CSCc1ccc(F)cc1Cl)NCc1cccs1 23413430 YOFMZOKNEUKWBK-UHFFFAOYSA-N 329.849 4.090 0 40 EIAB C=C1c2ccccc2NC(=O)N1C[C@H](c1ccc(CC)cc1)N(C)C 25049773 KALJBNVTWCRNBW-HXUWFJFHSA-N 335.451 4.370 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 25051220 SVGSUUTVFGKEAI-UHFFFAOYSA-N 336.439 4.269 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2C)c1 26379265 WKZUOJZEVLTDAD-GJZGRUSLSA-N 339.439 4.075 0 40 EIAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 27680320 GBMBIDADYYCRLI-OXJNMPFZSA-N 333.435 4.243 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(F)cc2)no1 27993984 XYDNNRPAWGNFIN-UHFFFAOYSA-N 340.354 4.115 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2ccccc21 28643082 YNDWYUORORUDOR-SCLBCKFNSA-N 329.827 4.301 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1ccccn1 30819552 QMYVHPMPYJBOEA-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)CSc2cccs2)cc1 32809959 JNUDQNLBBXWJLE-UHFFFAOYSA-N 349.521 4.333 0 40 EIAB O=C(Nc1cccc2cn[nH]c12)c1ccccc1SC(F)(F)F 32816540 FIKBQCXWRAZHGI-UHFFFAOYSA-N 337.326 4.427 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cn1 32904230 NLPKZHCSEMLLKH-UHFFFAOYSA-N 337.467 4.407 0 40 EIAB CCCCOc1nnc(C)c2c(C)n(-c3ccccc3Cl)nc12 36646308 VLFTUANDZWJFBV-UHFFFAOYSA-N 330.819 4.265 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1Cc1nc(Cc2ccccc2)no1 40153678 OKIBOXSHOGYCQG-IBGZPJMESA-N 333.435 4.306 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2CC)cc1 44839241 LWGGAGLFGCMNAX-CVEARBPZSA-N 341.451 4.292 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)s2)c(C)c1 65083068 XTJMOAYHSMWPSZ-UHFFFAOYSA-N 345.374 4.352 0 40 EIAB Cc1nccc(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)n1 69351299 HMJCYXMQCKQGSS-LLVKDONJSA-N 349.356 4.170 0 40 EIAB FC(F)n1ccnc1CSc1nnc(-c2c[nH]c3ccccc23)o1 73121822 KVNNVLRXYWCXSL-UHFFFAOYSA-N 347.350 4.102 0 40 EIAB COc1cccc(-c2nsc(NC(=O)c3cc(C)ccc3C)n2)c1 77306426 HUVOKYDCLHKKLO-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB O=C1[C@@H](Sc2nc3ccccc3[nH]2)CCN1c1ccccc1Cl 78602065 NUSDMBSAPBLNTK-HNNXBMFYSA-N 343.839 4.114 0 40 EIAB CCN(CC)[C@H](CNc1ncccc1C(F)(F)F)c1ccco1 78612970 IRGOUBPDCGUZQM-CYBMUJFWSA-N 327.350 4.188 0 40 EIAB COc1cc(C)c(CN[C@H](C)c2csc(C3CC3)n2)cc1OC 89570339 QEEXCXXOLRPDSB-GFCCVEGCSA-N 332.469 4.197 0 40 EIAB Cc1ncc([C@@H](C)NCc2cccc(NC(=O)c3ccco3)c2)s1 90401442 JBFVJSQRKSOUPZ-GFCCVEGCSA-N 341.436 4.148 0 40 EIAB Cc1csc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3o2)n1 96477944 XZPRTHWPZYNCKH-UHFFFAOYSA-N 341.358 4.244 0 40 EIAB CC(C)(C)[C@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1F 97017304 YYYDTODYKOXIQK-QGZVFWFLSA-N 346.412 4.371 0 40 EIAB CCn1c([C@@H](C)N[C@@H](C)Cc2ccc(F)cc2)nc2ccccc21 97032873 AJERHQAKKGVZLF-LSDHHAIUSA-N 325.431 4.477 0 40 EIAB CCc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 223439236 DOEQLPRVRXAWAS-INIZCTEOSA-N 343.492 4.233 0 40 EIAB COc1ccc(CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 224198204 QLNWTPXFDFZAOW-IBGZPJMESA-N 325.452 4.450 0 40 EIAB Cc1ccc(Cl)cc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225076866 HUJIHLKEYMNZOO-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCn1c(=O)sc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 225120674 LWLCGJUJKDXYMO-UHFFFAOYSA-N 347.827 4.380 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1 225309076 LOPBARZDUNONBG-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCOc1ccccc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039809 JFFRXRKWFUEALP-UHFFFAOYSA-N 343.766 4.097 0 40 EIAB Cc1ccccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408597138 XBFFLLITWJNRDL-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB CCc1nc(C)cc(N2CCC(c3nc4cccc(C)c4o3)CC2)n1 585082540 GINXTYBCPGGLNH-UHFFFAOYSA-N 336.439 4.181 0 40 EIAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148048 MWXGBDJHJGLFEB-VQTJNVASSA-N 349.430 4.290 0 40 EIAB O=C(Nc1cc(Cl)cc2cccnc12)[C@@H]1CCOc2ccccc21 590452688 AGNNVTBIBKYSNI-OAHLLOKOSA-N 338.794 4.393 0 40 EIAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc3ccccc23)N1 408724 VZLUBLQTLIFDKP-WOJBJXKFSA-N 342.398 4.009 0 40 EIAB biogenic O=C(CSc1nccn1-c1ccccc1)Nc1cccc(Cl)c1 427349 BZRMJJCROVWJTC-UHFFFAOYSA-N 343.839 4.257 0 40 EIAB CCOC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 491189 WUKMQLRVZIRZAL-UHFFFAOYSA-N 340.331 4.004 0 40 EIAB biogenic COc1ccccc1CCNc1ncnc2c1[nH]c1ccc(C)cc12 501489 VJIQGEDNDBREMI-UHFFFAOYSA-N 332.407 4.083 0 40 EIAB Cc1cc(OCC(=O)Nc2cccnc2Cl)cc(C)c1Cl 527243 ASHSZUJMBCBBRN-UHFFFAOYSA-N 325.195 4.023 0 40 EIAB COc1ccc(CC(=O)Nc2c(C)cc(Br)cc2C)cc1 1015673 JVRZAXDFGJWCTR-UHFFFAOYSA-N 348.240 4.256 0 40 EIAB O=C(COC(=O)CCC1CCCC1)Nc1cc(Cl)ccc1Cl 3314736 AOEIGDJZLIJQRO-UHFFFAOYSA-N 344.238 4.446 0 40 EIAB O=C(CSCc1ccccc1)Nc1cccc(Br)c1 3601974 FFUFFPYSJXLUMC-UHFFFAOYSA-N 336.254 4.321 0 40 EIAB CCCN(CCC)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 4144457 VGWHYDHPBLEXST-FQEVSTJZSA-N 340.467 4.497 0 40 EIAB C[C@]12Cc3conc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4198996 NSYTUNFHWYMMHU-DGWDJNBYSA-N 329.484 4.383 0 40 EIAB COc1cccc2sc(NC(=O)CSc3ccccc3)nc12 4496609 WMZRIBMPTRPUTM-UHFFFAOYSA-N 330.434 4.036 0 40 EIAB C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)[C@@H]1C 5656987 LIYBYTFQYGQACE-GYSYKLTISA-N 328.428 4.399 0 40 EIAB Cc1cc2oc(=O)cc(COC(=O)Cc3ccsc3)c2cc1Cl 5657755 CTNKOCSSLOCYAI-UHFFFAOYSA-N 348.807 4.102 0 40 EIAB S=C(N[C@H]1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2 6229547 YRNAWIBJVWKYCO-IXYLRAAXSA-N 340.536 4.497 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccccc2)o1 6496261 HVDMZTXLRGGRHK-UHFFFAOYSA-N 329.359 4.071 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)OCc1nc2ccccc2o1 7339379 OZUZHAHUARVFRI-UHFFFAOYSA-N 334.375 4.375 0 40 EIAB Clc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1 7979974 OYAQLWBFUGENMD-UHFFFAOYSA-N 337.854 4.210 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1CNc1ncnc2sccc12 8325658 YAZFHBVVRWQDIX-UHFFFAOYSA-N 349.463 4.165 0 40 EIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCCCC1 9061964 XDBYRYYWAQWEQL-UHFFFAOYSA-N 339.501 4.082 0 40 EIAB C[C@@H](Sc1nnc(NC2CC2)s1)c1nnc(-c2ccccc2)o1 10028059 VBGKKFQJAHJJMG-SECBINFHSA-N 345.453 4.016 0 40 EIAB Cc1occc1-c1nc(N2CCC[C@H](C)C2)ncc1-c1ccncc1 12222827 WYVDKOGEWYSEIH-AWEZNQCLSA-N 334.423 4.343 0 40 EIAB CCn1ncc2c(C(=O)Nc3ccccc3)cc(-c3cccs3)nc21 12618001 UHLYMTJDCPBZLO-UHFFFAOYSA-N 348.431 4.432 0 40 EIAB Cc1ccc(OCc2nc(C)c(C(=O)NC3CCCCC3)s2)cc1 12777143 KHSFMFBRLFIGCQ-UHFFFAOYSA-N 344.480 4.401 0 40 EIAB O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCCCCC1 13731947 NNYUVKRHKZLMIF-UHFFFAOYSA-N 347.414 4.476 0 40 EIAB CCOc1ccccc1-c1nn2c(-c3cccc(C)c3)nnc2s1 13945098 XVLUSFGECKWJTE-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CCCCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)cc(O)c12 14586098 DCXAKCWKFHIXOT-NSHDSACASA-N 332.396 4.166 0 40 EIAB biogenic,in-vitro CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccn1 19315283 VJFYEDULTCLIMT-GOSISDBHSA-N 340.423 4.089 0 40 EIAB Cc1ccc(-c2nn3c(Cc4ccccc4F)nnc3s2)c(C)c1 19910009 CJRPWHHWZVLRNQ-UHFFFAOYSA-N 338.411 4.200 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(C)cc2)cc1 20453129 LZDFTTUQJMAMQF-HXUWFJFHSA-N 325.452 4.450 0 40 EIAB CCCn1c(C)c(C(=O)NCc2cccs2)c2cc(OC)ccc21 23596636 WPDROBHIPGTVJC-UHFFFAOYSA-N 342.464 4.360 0 40 EIAB CCc1c(C)sc2nc(Cl)n3nc(Cc4ccccc4)nc3c12 32106463 IWCGKHAXZMKJJK-UHFFFAOYSA-N 342.855 4.454 0 40 EIAB O=C(c1ccccc1)N1CCc2nc(-c3cccc(F)c3)sc2C1 36752079 YDPVXQUUSSKRNT-UHFFFAOYSA-N 338.407 4.148 0 40 EIAB COc1ccccc1OCc1ccc(C(=O)N2CCc3ccccc32)o1 42198326 PKCKNJSGYUWZKJ-UHFFFAOYSA-N 349.386 4.070 0 40 EIAB c1ccc(Cc2noc(CN3CCC[C@H]3c3ccsc3)n2)cc1 46088210 NSVJYVAYFBQGHJ-INIZCTEOSA-N 325.437 4.059 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccc[nH]3)s2)o1 48326103 GBKFFCROWOGMAQ-CQSZACIVSA-N 341.436 4.325 0 40 EIAB Cc1cccc(OCCCOC(=O)c2ccc(-c3cnco3)cc2)c1 62384420 BUASRJTWGSZVCC-UHFFFAOYSA-N 337.375 4.276 0 40 EIAB CC[C@H](NC(=O)CCc1ccccn1)c1ccc(Br)cc1 62582218 VWOASKQYOMQXDR-INIZCTEOSA-N 347.256 4.044 0 40 EIAB O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccccc1 66447514 ABOUTEARRJHLNW-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB CC(C)(C)c1nc(CNCc2cn3cc(Cl)ccc3n2)cs1 69564087 KLNOTLSWLCROPW-UHFFFAOYSA-N 334.876 4.032 0 40 EIAB COC1CCC(N(C)C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1 71908559 RYNVMHWBBPNAHU-UHFFFAOYSA-N 348.468 4.050 0 40 EIAB O=C(Nc1cccc(OCc2nccn2C(F)F)c1)c1ccsc1 95409165 VKWMAYDYFOIEEZ-UHFFFAOYSA-N 349.362 4.171 0 40 EIAB COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 95419360 XYKWCHDODVTSRF-HUUCEWRRSA-N 340.423 4.064 0 40 EIAB C[C@]1(CCCO)CCCN1Cc1cc(Br)ccc1Cl 95454740 ZZQGHIGTKZGUPA-OAHLLOKOSA-N 346.696 4.230 0 40 EIAB O=C(NCC1(Sc2ccccc2)CCOCC1)Nc1ccccc1 96331347 KZNKFGRTMFPTRZ-UHFFFAOYSA-N 342.464 4.150 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ncc(C(C)(C)C)o1 96447849 CZTQFBHLYSMYAR-GFCCVEGCSA-N 342.443 4.429 0 40 EIAB Cc1ccn(-c2ccccc2N[C@@H](C)c2ccc([S@@](C)=O)cc2)n1 97038709 IYDINLAJXPDRFX-OWJWWREXSA-N 339.464 4.091 0 40 EIAB Cc1nc(C[S@@](=O)[C@H](C)c2cccc(Br)c2)oc1C 97083666 MYBZZXYOPQZSBF-WYRIXSBYSA-N 342.258 4.064 0 40 EIAB CC(=O)c1ccc(NC(=S)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 102194770 LIUFSBYWYOJUCK-APWZRJJASA-N 330.497 4.487 0 40 EIAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccco2)CCC1 102681497 TXUIQPXLXNYXJB-QGZVFWFLSA-N 347.374 4.385 0 40 EIAB COCc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 193978630 KWNRVWDLHMFQEG-OAHLLOKOSA-N 335.403 4.392 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCCc1ccccc1Cl 216313284 QBDVTQISMHXFAR-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 223340849 OYSFGSQYAYQVLS-SFHVURJKSA-N 337.463 4.391 0 40 EIAB S=C(Nc1ccc(Cl)cc1)NC1(c2ccncc2)CCCC1 225845168 RZQQVWAPRVVPGY-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(F)c2)cc1N 226266446 RUCQVYCCMYYPDY-ZDUSSCGKSA-N 327.403 4.039 0 40 EIAB Nc1cc(Br)c(NC2CCCC2)c(Br)c1 226317067 UPCRVTSZKPSQDU-UHFFFAOYSA-N 334.055 4.148 0 40 EIAB Cc1ccc(OCCCC(=O)NCCSC2CCCCC2)cc1 408706250 YOCKSXVRTCGSEO-UHFFFAOYSA-N 335.513 4.336 0 40 EIAB Cc1ncsc1CCN(C)Cc1cc(F)cc(C(F)(F)F)c1 1529092613 VQDZMDAZDSNWIC-UHFFFAOYSA-N 332.366 4.284 0 40 EIAB CCC(=O)c1cc(C(=O)NCC[C@H]2CCc3ccccc32)ccc1F 1595853306 NQNXSRHHVGACPT-OAHLLOKOSA-N 339.410 4.268 0 40 EIAB COC(=O)c1nc(NNc2ccccc2)sc1-c1ccccc1 537452 BDAQMNGLZJBQKA-UHFFFAOYSA-N 325.393 4.036 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(F)cc3s2)c1 1267328 AGLPRVGVEUPNRL-UHFFFAOYSA-N 330.384 4.070 0 40 EIAB CCCc1nc(SCC(=O)N2CCCC[C@H]2C)c2ccccc2n1 1342706 XYKKQPQTLHRQEV-CQSZACIVSA-N 343.496 4.075 0 40 EIAB O=C(O)/C=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 3349706 PVMKJLHSQVMCQM-ZHACJKMWSA-N 338.794 4.350 0 40 EIAB Cc1cccc(C(=O)OCC(=O)Nc2cccc3ccccc23)c1C 3452066 YIGAXTJIMHQIQA-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB Cc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1C 3481982 ZQALDKQBDLEMOK-SFHVURJKSA-N 325.408 4.114 0 40 EIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccccc1 4033219 AFVDSIMRBKLUMA-UHFFFAOYSA-N 343.390 4.349 0 40 EIAB O=C(O[C@@H]1c2ccccc2C(=O)N1Cc1cccs1)c1ccccc1 4108827 KLIQUGFAHATDBM-LJQANCHMSA-N 349.411 4.260 0 40 EIAB Fc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 4664965 BKYRRIFVTQDJCJ-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4720643 CUZYYBBWGOTCTF-PZVFOTJXSA-N 343.442 4.279 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1C 5678779 AFLUAOZWIIQFGO-UHFFFAOYSA-N 336.204 4.386 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 6217480 WGFJVHJZXIGCCL-UHFFFAOYSA-N 339.313 4.220 0 40 EIAB COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccccc2)ccc1Cl 6455513 ILJDMCLESPXRSH-LLVKDONJSA-N 349.839 4.246 0 40 EIAB Cc1nnc(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)O)o1 7365718 CDYHZXQRSQQCEI-NVNXTCNLSA-N 343.408 4.131 0 40 EIAB Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3o2)c(C)c1 7748051 WYQDZSNDFDEOCC-UHFFFAOYSA-N 340.448 4.195 0 40 EIAB O[C@@H](CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1 10340027 ZNDKQGSLKIFYKI-AWEZNQCLSA-N 342.489 4.396 0 40 EIAB COc1ccc2cc(CNC(=S)Nc3ccccc3F)ccc2c1 11083636 WLSGGHSNEMEVSX-UHFFFAOYSA-N 340.423 4.474 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc2c1CCC2=O 11100760 RKOTUJNSCFMTOM-LBPRGKRZSA-N 343.810 4.183 0 40 EIAB COc1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1 12515779 MCOPYDJWNPLRFQ-UHFFFAOYSA-N 346.430 4.337 0 40 EIAB C[C@H](NC(=O)c1ccccc1[S@@](C)=O)c1ccc2ccccc2c1 12752360 IHKDEQYLJHEGPM-BSEYFRJRSA-N 337.444 4.068 0 40 EIAB C(=C/c1nn2c(-c3ccc4ccccc4n3)nnc2s1)\c1ccco1 13682746 UIZRXZPPKFJMDX-CSKARUKUSA-N 345.387 4.164 0 40 EIAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 15836305 PXRUNHYDVXLHCT-KRWDZBQOSA-N 349.521 4.472 0 40 EIAB Cc1ccc(-n2c3c(c(SCc4ccccc4)nc2=O)CCC3)cc1 15840415 HZIHBCAFESHKCH-UHFFFAOYSA-N 348.471 4.322 0 40 EIAB O=C(Nc1ccc2ccccc2c1)c1ncn(-c2ccc(Cl)cc2)n1 17193717 PWQCZXMACVKCEJ-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB CCOc1ccc(C(=O)NCCSc2ccccc2)cc1OCC 18214521 LYZSJJJZHSGIIT-UHFFFAOYSA-N 345.464 4.006 0 40 EIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 20104122 XMKGIJMZQGPGLZ-GOSISDBHSA-N 325.452 4.346 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCCC1 20428180 PNFJFAJDMSFCQV-UHFFFAOYSA-N 330.453 4.093 0 40 EIAB CCc1cccc(CC)c1NC(=O)Cn1c(CC)nc2ccccc21 22558424 TZQAVFOLYQDEDM-UHFFFAOYSA-N 335.451 4.362 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 23113968 IGXRSOSDGCCFQV-STQMWFEESA-N 326.362 4.061 0 40 EIAB CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 23985894 OOCYUBMAVJWNLM-UHFFFAOYSA-N 329.371 4.346 0 40 EIAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2ccccc2[nH]1 30313823 QRRAJZSWWXGSHZ-UHFFFAOYSA-N 348.324 4.339 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(OCc2cccnc2)cc1 32063894 HJILTUMOKWJVOB-UHFFFAOYSA-N 344.414 4.402 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nnco2)c1 32777332 JMNVOCYFIGYPJE-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB Cc1nc(CSCC(=O)NC[C@H](c2ccccc2)C(C)C)cs1 32914601 JFAMZJJLGTXUQI-KRWDZBQOSA-N 348.537 4.241 0 40 EIAB C[C@H](Cc1ccco1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 33208341 SMXPQSWOCXFJGI-CQSZACIVSA-N 331.843 4.492 0 40 EIAB CSc1ccc2nc(NC(=O)c3ccn(C(C)C)n3)sc2c1 36701814 LRQLMSOYXNMICD-UHFFFAOYSA-N 332.454 4.048 0 40 EIAB CCCCCCc1ccc(C(=O)O)cc1I 39951787 BDZGKJOJQZXNHJ-UHFFFAOYSA-N 332.181 4.112 0 40 EIAB Cc1ccc(-c2nc(C[S@](=O)Cc3ccccc3F)co2)cc1 66299684 QYAKDFRFTZZPNT-QHCPKHFHSA-N 329.396 4.238 0 40 EIAB O=c1[nH]c(Cc2cccc(F)c2)nc2ccc(-c3ccccc3)cc12 72051994 USSHAMPEQBNHKF-UHFFFAOYSA-N 330.362 4.320 0 40 EIAB CC(C)n1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 76556407 FMPZXLJURRYNJJ-SFHVURJKSA-N 347.462 4.176 0 40 EIAB O=C(Nc1ccc(Cl)nc1)c1cnc(-c2ccccc2F)s1 78494338 BIIFQJQXIJRCDI-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB C[C@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccs1 88233144 NTJITOHBIIQNGH-NSHDSACASA-N 339.420 4.418 0 40 EIAB Cc1ccc(Oc2ccc(NCc3nnc(-c4ccco4)o3)cc2)nc1 89652317 KAZMQACERHDDNG-UHFFFAOYSA-N 348.362 4.437 0 40 EIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3oc(C)nc3C)n2c1 95407156 MBNPGPAGCLFSTR-UHFFFAOYSA-N 346.390 4.167 0 40 EIAB c1cc(CN2CCCC2)ccc1CNCc1cnc(C2CCC2)s1 95415396 SRAHKXWWFIXZOT-UHFFFAOYSA-N 341.524 4.296 0 40 EIAB CCc1ccsc1CN[C@@H](C)c1cccc(N2CCOC2=O)c1 95969173 TVTOAWNJMJTCBP-ZDUSSCGKSA-N 330.453 4.118 0 40 EIAB CO[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)s1 96104714 OFWPXGPUJASUQT-CYBMUJFWSA-N 344.263 4.481 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 96402363 TUZPIPCWFHOHPZ-ZWKOTPCHSA-N 345.446 4.073 0 40 EIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H]1CCCS1 97021727 HHNILSYVIMOIAD-OLZOCXBDSA-N 341.546 4.173 0 40 EIAB C[C@H](NC[C@@]1(CCO)CCOC1)c1cc2c(ccc3ccccc32)o1 97034660 DUHKCAMTTOUQPZ-YCRPNKLZSA-N 339.435 4.026 0 40 EIAB Cc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C1=O 102681922 RIZSTACIMQUWKD-CPLUKWAASA-N 333.431 4.177 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1C 224271830 IZFVOBUNUJMKTH-QGZVFWFLSA-N 325.452 4.208 0 40 EIAB O=C(c1ccccc1Cl)N1CC[C@@H]2[C@@H](CCCCN2CC2CC2)C1 257203447 AQCKYOVHKOQCEI-QFBILLFUSA-N 346.902 4.067 0 40 EIAB Cc1cc(NC(=O)[C@H]2CCCC(F)(F)C2)nc(-c2ccccc2)n1 331769463 BSMXXRJRYFTETQ-AWEZNQCLSA-N 331.366 4.216 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccccc1 408866044 FHFZPGVYTQECJP-INIZCTEOSA-N 345.533 4.358 0 40 EIAB O=C(Nc1ccc(-c2ccc(Cl)cc2)oc1=O)c1cccs1 1392443 FBLKYKHZWQPCBS-UHFFFAOYSA-N 331.780 4.274 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)OC/C=C\c2ccc3c(c2)OCO3)C1(C)C 1747010 URWLGILKUJFTEN-RBVSRTDUSA-N 328.408 4.210 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 1972476 YWZMNDOLPWIJKO-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 1986198 ADZJIPPOIGDZLK-RMKNXTFCSA-N 331.799 4.318 0 40 EIAB CCCCN1C(=O)[C@](Cl)(c2ccccc2)C(=O)c2ccccc21 2144989 NZYAECGZQIFRAS-IBGZPJMESA-N 327.811 4.150 0 40 EIAB COc1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 2416070 CCGNLGHDKRJKFR-UHFFFAOYSA-N 348.431 4.116 0 40 EIAB S=c1nc(-c2ccccc2)n(C[C@H]2CCCO2)c2c1CCCC2 2550725 XILRRKJQOJWTJM-OAHLLOKOSA-N 326.465 4.337 0 40 EIAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1ccc(C(C)(C)C)cc1 2627746 BAZGFMYMIVQKRU-CYBMUJFWSA-N 339.464 4.390 0 40 EIAB COc1cccc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 3331130 NBQCIBUBKQWKGV-UHFFFAOYSA-N 337.448 4.446 0 40 EIAB CSc1ncccc1C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 3333501 YQLWZIIVZLZOEO-AWEZNQCLSA-N 328.481 4.493 0 40 EIAB CC1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 4026247 FESUANMRRQPJBN-YAOJWGSESA-N 331.500 4.033 0 40 EIAB biogenic O=C(c1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1 4120622 MHOIADADILJCTN-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 4496441 ZQHLVADDCGYSLG-GFCCVEGCSA-N 332.494 4.307 0 40 EIAB CC(=O)c1c(C)cc(C)c(COC(=O)c2[nH]nc3ccccc23)c1C 5827445 WWJHBPXHZRYMTE-UHFFFAOYSA-N 336.391 4.048 0 40 EIAB COc1cccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c1 6624456 ITNCHSZVTBOMMN-OAQYLSRUSA-N 340.467 4.476 0 40 EIAB biogenic C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)c1c[nH]c2ccccc12 7471727 PMXVFLRYSBBEGR-LBPRGKRZSA-N 348.431 4.317 0 40 EIAB CCOc1ncccc1C(=O)N(C)C(c1ccccc1)c1ccccc1 7986325 VGZDIPHBZWYBRX-UHFFFAOYSA-N 346.430 4.342 0 40 EIAB O=C(Cc1c(Cl)cccc1Cl)NCCCOc1ccccc1 8115426 FTDXBMLZESHFEC-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB CC(C)CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C 8958990 JJSCBBGUMMMBDB-UHFFFAOYSA-N 346.471 4.079 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 10332815 ZHQVGJMVZWNNAE-INIZCTEOSA-N 338.451 4.095 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 10893705 CYCZVWKSDRCIPH-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2[nH]1 12599524 CBCWQDROVXVCCP-UHFFFAOYSA-N 331.828 4.256 0 40 EIAB Cc1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)n1 12692399 CNRONPZXEWZPPO-GOOCMWNKSA-N 348.537 4.331 0 40 EIAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNc2ncccn2)cc1 12784042 BONYGPDPULXHKF-UHFFFAOYSA-N 345.381 4.081 0 40 EIAB COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c(OC)c1 12927899 BYUAEFZJJUXZET-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12933502 ORDNCZIQCKSMDD-CQSZACIVSA-N 340.423 4.455 0 40 EIAB CCOc1ccc(OCC(=O)N(C)Cc2ccc3ccccc3c2)cc1 12972891 SHJYXFHMCGNHMM-UHFFFAOYSA-N 349.430 4.276 0 40 EIAB COc1cc(O)cc(CCc2ccc(OC)c(O)c2CC=C(C)C)c1 13383072 NGQFSSVGVDXEOE-UHFFFAOYSA-N 342.435 4.409 0 40 EIAB biogenic Cc1ccc2cccc(NC(=O)COc3cccc(Cl)c3)c2n1 15835308 BJPQLZQYPPTKHO-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB CC(=O)Nc1cccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)c1 15859132 WDGTUNGXDJXEOP-UHFFFAOYSA-N 332.407 4.462 0 40 EIAB Clc1ccccc1COc1cccc(CNC[C@H]2CCCO2)c1 16450048 GQOQQZGCSFACES-GOSISDBHSA-N 331.843 4.188 0 40 EIAB O=C(NCCc1cccs1)N(Cc1ccco1)Cc1cccs1 17698153 DVLVJIDQNIFNJG-UHFFFAOYSA-N 346.477 4.357 0 40 EIAB CCC(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 19498687 NAQOKGSBOOKIBH-MRXNPFEDSA-N 333.435 4.346 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(Cl)c1 20138079 WVELAXMYXOLECK-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB Cc1ccc(OCCN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 21710469 CBBZCBNCFHWVIF-UHFFFAOYSA-N 336.435 4.244 0 40 EIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCCCCC1 22245964 QDEDGOZUHPGUEA-UHFFFAOYSA-N 333.432 4.350 0 40 EIAB CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccccc2)C(C)C)n1 27632006 OSUASSCYIMYOTF-CYBMUJFWSA-N 349.887 4.022 0 40 EIAB Cc1cc([C@@H](C)NC(=O)N[C@H]2CCOc3ccccc32)c(C)s1 28358540 ADTXQGSXOWUHLD-WBMJQRKESA-N 330.453 4.249 0 40 EIAB C[C@@H](Oc1ccccc1)c1nnc(SCc2ccccc2)n1C 32604428 QWOSKDLEJGBUJI-CQSZACIVSA-N 325.437 4.247 0 40 EIAB Cc1nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2nc1C 32740742 FHVNLSZGHXKTEJ-UHFFFAOYSA-N 339.826 4.172 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)[C@@H]1C 32908541 DPLXMHAMUMQAIC-NQBHXWOUSA-N 346.418 4.291 0 40 EIAB Cc1cccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)c1 33741922 HKVVEBWAQVGCON-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB COc1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc(OC)c1 40097731 OIOKZJMUQXFLND-LLVKDONJSA-N 334.803 4.240 0 40 EIAB CCCCN(CCCC)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104593 HEKZGABDDVTRBY-UHFFFAOYSA-N 345.487 4.357 0 40 EIAB COc1ccc(CN(C)C(=O)Nc2ccccc2OCC(C)C)cc1 40152302 FEPPXEVGPZKXSG-UHFFFAOYSA-N 342.439 4.394 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@@H](c2cccc(F)c2)C1 40267159 ZBTCGUSJPOFGHX-OAHLLOKOSA-N 325.318 4.274 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1Cl 40478369 DCHMLCQQLIRIED-UHFFFAOYSA-N 345.761 4.130 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N3CCc4ccc(Cl)cc43)c2)cs1 58932575 SYXTWNJAGOTLMD-UHFFFAOYSA-N 343.839 4.303 0 40 EIAB Cc1cc2sc(NC(=O)N(C)[C@@H](C)c3cccnc3)nc2s1 83580859 WUFHINWXXIOUHY-JTQLQIEISA-N 332.454 4.286 0 40 EIAB CC[C@H](c1ccccc1)N(CC(C)C)C(=O)NCc1ccncc1 84734650 MGHBMHRCNTYAQI-LJQANCHMSA-N 325.456 4.401 0 40 EIAB Cc1cc(C)n2cc(CNc3cccc(CC(F)(F)F)c3)nc2n1 88534157 HIKWZLDUWYOVGW-UHFFFAOYSA-N 334.345 4.063 0 40 EIAB Cc1nc(C)c(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)o1 89557988 WWMZWIIQTXBCLM-CYBMUJFWSA-N 346.736 4.320 0 40 EIAB COCc1nc(CNc2cc(Cl)ccc2N2CCCC2)cs1 95409870 HTPBVIRTJBCARP-UHFFFAOYSA-N 337.876 4.155 0 40 EIAB COc1ccc(CN(C)c2ccccc2)cc1OCc1cccnc1 95456990 JLZPJEKVIMNELP-UHFFFAOYSA-N 334.419 4.306 0 40 EIAB C[C@H](CSC(F)(F)F)NCc1ccc(Br)cc1 95918387 CCLJFQIPQSGNNK-MRVPVSSYSA-N 328.197 4.180 0 40 EIAB FC(F)(F)SCCCNCc1ccc(Br)cc1 95918391 OGGMBHDTCQGXBG-UHFFFAOYSA-N 328.197 4.182 0 40 EIAB FC(F)(F)c1ccnc(Nc2ccc(NCc3ccccn3)cc2)n1 95959055 KVQTVFZCQZMWJE-UHFFFAOYSA-N 345.328 4.246 0 40 EIAB COc1ccc([C@@H](C)NC[C@H](C)Cc2cccs2)cc1NC(C)=O 95968548 RUMQEPFCFYFTMR-ZIAGYGMSSA-N 346.496 4.245 0 40 EIAB Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F 96659726 JUPMOWSTTJOKOP-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB CC(C)Nc1cc(F)ccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 97230091 OSLNSVIWHMGJAY-AWEZNQCLSA-N 349.431 4.206 0 40 EIAB C[C@@]12CC3CC(NC(=O)COc4ccccc4F)(C1)C[C@@](C)(C3)C2 101213025 GUTREOVHCMJDDZ-YVVLLZSASA-N 331.431 4.070 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)[C@H](C)C(=O)c2ccccc2)c(C)c1 104274266 CRNGFJBFERIWPV-INIZCTEOSA-N 337.419 4.110 0 40 EIAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 106558355 HCKPPZMSOFBTOZ-FIXISWKDSA-N 345.270 4.263 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1cccnc1 107332121 DTKGIZRBYWMKMO-XPYUAMARSA-N 337.467 4.044 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 219528037 HKGVDHOYJPKHOQ-GOSISDBHSA-N 325.452 4.128 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1cccc(C)c1 219575090 VTKSDSMKEBKQPG-GOSISDBHSA-N 329.415 4.041 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 222999833 UFAVSGWDKPXCMU-INIZCTEOSA-N 337.463 4.302 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCc2ccccc21 223023903 XHZVOVAAQALKFO-GOSISDBHSA-N 329.827 4.395 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1 224055950 ZBBLOIKJZLMUQD-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB COc1ccc(NC(=S)NCc2ccccc2C)c2cccnc12 225310860 OLGZTYPKLMFEEN-UHFFFAOYSA-N 337.448 4.038 0 40 EIAB CCc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225793118 KWDMVPFMSYQTOL-UHFFFAOYSA-N 331.419 4.191 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1 225931557 FKYXGSZBCPCGAS-UHFFFAOYSA-N 343.426 4.371 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 226301384 DGOYBGXXWSKNPS-TXEJJXNPSA-N 332.831 4.300 0 40 EIAB CCn1nc(C)c2nc(C(C)C)nc(Nc3cccc(OC)c3)c21 226688487 ICKVDJWIIQJMPK-UHFFFAOYSA-N 325.416 4.030 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)NC2(c3cccs3)CCCC2)c1 390828627 SKQKCEDWNRZOLW-UHFFFAOYSA-N 335.494 4.113 0 40 EIAB CC(C)CC1(C)CCN(C(=O)N[C@H](c2nccs2)C2CC2)CC1 585085309 MCORVKRHPLGQBZ-HNNXBMFYSA-N 335.517 4.452 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1 415812 XYAAEBVCKAXWOE-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(O)cc1 814185 GVEASZXTPIWSBV-FQEVSTJZSA-N 346.386 4.172 0 40 EIAB O=S(=O)(NC1CCCCC1)c1cc(Cl)c(Cl)cc1Cl 855895 LHKIJUGCLCCDAT-UHFFFAOYSA-N 342.675 4.258 0 40 EIAB CC(=O)c1ccc(OC(=O)CCCOc2ccc(C)cc2C)cc1 1914170 YIZVMGDDWSAKHC-UHFFFAOYSA-N 326.392 4.271 0 40 EIAB CCc1ccc(C(=O)CSc2nc3ccc(OC)cc3[nH]2)cc1 2625443 KSHXDMHLRSEIKR-UHFFFAOYSA-N 326.421 4.109 0 40 EIAB CCCC(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2667178 XMAAIXPCMMRPKL-LLVKDONJSA-N 344.069 4.365 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cccc(Br)c1 3192512 LEAPLZWBJUUCDK-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB COc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 3911087 IRMIRJNDEISCCL-UHFFFAOYSA-N 340.404 4.189 0 40 EIAB CCc1ccccc1NC(=O)CNc1ccc(Br)cc1 5090148 JKWUQVOVLOSPFL-UHFFFAOYSA-N 333.229 4.062 0 40 EIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1 5136199 CIKLRZLWXMIRPE-UHFFFAOYSA-N 346.386 4.125 0 40 EIAB CC1(C)CC(=O)c2cc3c([n+](-c4ccccc4)c2C1)CC(C)(C)CC3=O 5415246 IAKAVRREWHVFJP-UHFFFAOYSA-N 348.466 4.274 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 5558494 YQZZIKURLJXFPJ-FNORWQNLSA-N 325.408 4.363 0 40 EIAB Cc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6627327 VBDGQNATAQFYIV-UHFFFAOYSA-N 343.224 4.351 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 7006903 FYFAGWQDVLVJAZ-UHFFFAOYSA-N 344.263 4.123 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)CCC(=O)c1ccccc1 11766399 GCFDTYMXLKPVDH-UHFFFAOYSA-N 336.435 4.197 0 40 EIAB CCOc1ccc2oc(C)c(C(=O)Nc3ccccc3OC)c2c1 11866435 OTRKQPNJOAIAHW-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB biogenic CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(C)C)c3)nc2c1 12539850 ZSDFUCWZVRGKJZ-UHFFFAOYSA-N 344.436 4.488 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(Br)cc2Cl)n1 12861651 YOYPBNLOUSJLPG-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1ccc(C)c(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c1 15017827 TXHJJACKDWVLKK-INIZCTEOSA-N 344.252 4.369 0 40 EIAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1C 16780586 XRKSAZNBFJGFKQ-UHFFFAOYSA-N 337.872 4.168 0 40 EIAB O=C(NC1CCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 17173095 QHJHNOQBAAKAEQ-UHFFFAOYSA-N 327.811 4.243 0 40 EIAB O=C(CCc1ccc(F)cc1)Nc1ccc(Br)cc1F 18115892 YKTZXDFKVSGGJQ-UHFFFAOYSA-N 340.167 4.299 0 40 EIAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccc(OC)cc1 20625035 DWTARXZWTDTPOZ-QGZVFWFLSA-N 330.453 4.142 0 40 EIAB Cc1nn(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c(C)c1Cl 21895432 CLBOYURDGPWRSZ-CHWSQXEVSA-N 345.874 4.261 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)c1cc(Cl)cc(Cl)c1 24743868 CVHAZEYEKKSMJN-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 25286992 HOKIJXYJWVPTDY-UHFFFAOYSA-N 344.777 4.010 0 40 EIAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)[C@@H]1CCCO1 25301885 VLDZGHMUIGGYSA-KRWDZBQOSA-N 349.789 4.176 0 40 EIAB C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(-n2cncn2)cc1 26314663 LVKUEJBSVINMKM-LBPRGKRZSA-N 347.249 4.425 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)s1 30956767 GDWHNOOTFRKIMH-UHFFFAOYSA-N 328.437 4.112 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1OC 31819372 MKYALHGYPIDMEB-HNNXBMFYSA-N 349.390 4.013 0 40 EIAB O=C(Nc1cccnc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 32769308 PQQFCKSZLBQASA-FQEVSTJZSA-N 342.402 4.028 0 40 EIAB CC(C)Oc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 32800796 ROQXCRWLIFFVHY-UHFFFAOYSA-N 337.341 4.423 0 40 EIAB Cc1ccc(-c2ccccc2NC(=O)c2cccc3nccnc23)o1 35311246 CMAFLYBQYJPPCG-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CC(C)[C@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1 36416301 HSSZUDBDTGUJAR-BEFAXECRSA-N 330.497 4.254 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1C 36620762 GJIACFDNMSGRAR-LJQANCHMSA-N 343.492 4.446 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 36621065 BQHUCWHSURNHDW-LJQANCHMSA-N 347.455 4.475 0 40 EIAB O=C(NCc1ccc(F)cc1)c1ccc(CN2CCCCCC2)cc1 44932112 WFKFKELHBMTDDS-UHFFFAOYSA-N 340.442 4.132 0 40 EIAB COc1ccc(C2(NC(=O)/C=C/c3ccc(C)o3)CCCC2)cc1 64314555 KHCWOQJLAKNFDB-VAWYXSNFSA-N 325.408 4.196 0 40 EIAB Cc1c([C@H](C)NC(=O)/C=C/c2cccc(-c3ccccc3)c2)cnn1C 71820861 MXAPQDMTCVVRCO-DBTPVHCXSA-N 345.446 4.286 0 40 EIAB Cc1ccc2cccc(NC(=O)c3ccn(-c4ccccc4F)n3)c2n1 72090869 IAAXILNYXROIIT-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB Cc1cccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)c1C 72229508 SNMQYALTEXGOKZ-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Oc1ccc(O)c(-c2ccnc3cc(-c4ccc(Cl)cc4)nn23)c1 72403794 MYIOTKWGYLWAML-UHFFFAOYSA-N 337.766 4.128 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)on2)cc1 73841249 IPLHTPAXEDDAAS-UHFFFAOYSA-N 332.281 4.320 0 40 EIAB CC(C)C(=O)OC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78822719 UPXITFPVTSHUBP-GDBMZVCRSA-N 343.389 4.288 0 40 EIAB CC(C)n1nccc1NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 83063530 JLNKKKWRKJDRPP-HNNXBMFYSA-N 349.438 4.409 0 40 EIAB Cc1nnc(CSCCCc2ccccc2Br)o1 96009505 DQQQYWJHXLXENP-UHFFFAOYSA-N 327.247 4.007 0 40 EIAB O=[S@@](CCc1ccccc1)Cc1csc(-c2cccs2)n1 96404272 TVMMVPJRVTZYTD-OAQYLSRUSA-N 333.503 4.363 0 40 EIAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(OC(F)F)c1 96404444 MALOSUVOIPQDQK-RKFFSXRUSA-N 328.355 4.437 0 40 EIAB Cc1nc(C[S@](=O)[C@H](C)c2cccc(Br)c2)oc1C 97083667 MYBZZXYOPQZSBF-NSPYISDASA-N 342.258 4.064 0 40 EIAB C[C@H](Cn1cccn1)N[C@H]1CCCOc2c1ccc(Cl)c2Cl 97162454 NTNPVXVTTRAYEL-RISCZKNCSA-N 340.254 4.082 0 40 EIAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1OC 102726957 FYDRMRYXWMIXSK-QGZVFWFLSA-N 340.379 4.214 0 40 EIAB O=C(c1ccsc1)c1ccc(CNC(=O)c2ccccc2F)s1 211083411 CCSGNCGAVATESA-UHFFFAOYSA-N 345.420 4.110 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCc1cccc2ccccc12 222871589 LTHXEOCFPSJJJW-MRXNPFEDSA-N 333.431 4.486 0 40 EIAB Cc1cccc(OCCNC(=O)[C@H](C)SCc2ccccc2)c1C 223900002 WAYZKNMSYAWHJB-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CC(C)Sc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 225312775 LNXZOHOCHJXLTN-UHFFFAOYSA-N 341.889 4.263 0 40 EIAB CCOc1cccc(NC(=S)NCCCc2cccc(C)c2)c1 225392861 MVSCUPVLSHSDJF-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ncccc2C)cc1 225501547 CFDCSIWKELGINH-QGZVFWFLSA-N 343.496 4.472 0 40 EIAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1Cl 225799347 SDSMOAGUKIPXIY-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CCc1nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2n1C 225896694 DKOCDYDCLRKYDR-UHFFFAOYSA-N 347.340 4.407 0 40 EIAB O=C(Cc1cccc2ccccc12)NCc1ccc(-c2ccoc2)nc1 390830137 IZKSSWFPTPCTME-UHFFFAOYSA-N 342.398 4.354 0 40 EIAB CCCCN1CCC[C@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 585099948 ATXMBVMHOLAAKB-NRFANRHFSA-N 328.500 4.142 0 40 EIAB CSc1cccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)c1 585149424 RHEZFIXPTCCVNQ-QGZVFWFLSA-N 347.505 4.368 0 40 EIAB CC(C)n1ncc2cc(N[C@@H]3CC[C@@H](C)C[C@@H]3n3cncn3)ccc21 1117713806 XTBOIIRLWYIQKY-BJZITVGISA-N 338.459 4.051 0 40 EIAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 1623618706 QBZSITVBHKYDRA-UHFFFAOYSA-N 347.374 4.082 0 40 EIAB CCCC[C@@H](CC)Cn1nc2c(Br)ccc(C=O)c2n1 1776010933 IGWAQZSPRWJOJO-LLVKDONJSA-N 338.249 4.223 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1ccc(Br)cn1 36036 LIWJUIACYHCENE-UHFFFAOYSA-N 341.208 4.179 0 40 EIAB CC(C)CC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 52487 BMRUOQRGUNHWSC-UHFFFAOYSA-N 347.484 4.399 0 40 EIAB Cc1sc2ncn(Cc3ccc(Cl)cc3Cl)c(=O)c2c1C 98419 OCVMQUVTPNLTTF-UHFFFAOYSA-N 339.247 4.430 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)Cc4ccccc4)ccc1c23 381366 RNAUSYNZIYJVAO-UHFFFAOYSA-N 330.387 4.001 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccccc2C)c1 429419 SGLBPPVEWKFEJU-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB O=Cc1cn(CCOc2ccccc2)c2ccc(Br)cc12 555401 JXMWOAQNYRBYDV-UHFFFAOYSA-N 344.208 4.295 0 40 EIAB Cc1ccccc1SC[C@@H]1CSc2nc3ccccc3c(=O)n21 1405449 NXFKUKHWQRXXPF-CYBMUJFWSA-N 340.473 4.144 0 40 EIAB CCCn1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)oc1=O 1422723 CSDHWSPMXPDRKI-UHFFFAOYSA-N 339.391 4.203 0 40 EIAB Cc1noc(C)c1COC(=O)C1c2ccccc2Oc2ccccc21 2658977 CWYQXIGHZNEFPP-UHFFFAOYSA-N 335.359 4.272 0 40 EIAB CC(C)Nc1nnc(SCCOc2ccccc2Cl)s1 3383230 WOBIVHHAGZOMSK-UHFFFAOYSA-N 329.878 4.183 0 40 EIAB CC[C@H](C)Oc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050119 CFJQVOPJMUWCBQ-HNNXBMFYSA-N 333.453 4.017 0 40 EIAB COc1ccc([C@H]2CC(=O)c3c(oc(C(=O)OC(C)C)c3C)C2)cc1 4087549 UHFXMPVUNSPYSV-AWEZNQCLSA-N 342.391 4.075 0 40 EIAB biogenic Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1 4293506 GAZMCGHPHRQBPT-NHCUHLMSSA-N 349.455 4.482 0 40 EIAB biogenic Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1 4295434 KEXCHHRAUMHICJ-UHFFFAOYSA-N 348.859 4.466 0 40 EIAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2 4322458 FSIXZPXLTWNCOO-SCRDCRAPSA-N 347.480 4.178 0 40 EIAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)cc1C 4329916 ZCZWKHJCZKPDFU-FQEVSTJZSA-N 346.434 4.137 0 40 EIAB COc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)o2)cc1 5032899 VECUVOOTONIXFO-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB Cc1cc(C(=O)COC(=O)c2cccc(-n3cccc3)c2)c(C)s1 5280540 PIXONYVXHMUYJU-UHFFFAOYSA-N 339.416 4.195 0 40 EIAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 5359598 HHOJNHXGGXWXNO-UHFFFAOYSA-N 344.581 4.082 0 40 EIAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 5555582 PLSXINGHDFOHDL-GOSISDBHSA-N 329.465 4.307 0 40 EIAB Cc1ccc2nc([C@@H](NC(=O)c3ccc(F)cc3)C(C)C)[nH]c2c1 5626085 GKTZGFZFUFKXLJ-KRWDZBQOSA-N 325.387 4.138 0 40 EIAB CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(C)cc1 5643070 UEZUJIKAUISELV-MLGOLLRUSA-N 345.468 4.033 0 40 EIAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1 6514554 RKTZKVKYRBHOFG-UHFFFAOYSA-N 325.220 4.120 0 40 EIAB COc1cccc(OCCCN2CCCC[C@H]2c2cccnc2)c1 6624524 BIJAOTQPTHIZPE-FQEVSTJZSA-N 326.440 4.086 0 40 EIAB biogenic CSc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 6947604 XTMPSWWGRYANGG-INIZCTEOSA-N 343.448 4.219 0 40 EIAB O=C(CSCc1ccccc1Cl)Nc1ccc(F)c(F)c1 7094257 ZSUIQNRIRMONBX-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB COc1ccc(-c2noc(CSc3ccccc3F)n2)c(OC)c1 7501694 YZQVOORBWOZTDF-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB Cc1ccc(NC(=S)NCCSCc2ccco2)cc1Cl 7661348 NTGJJURVDZXQCS-UHFFFAOYSA-N 340.901 4.461 0 40 EIAB C[C@@H]1C[C@@H](Sc2ncnc3sc(-c4ccccc4)cc23)C(=O)O1 8278524 XSTPNUFRDUMSFH-QMTHXVAHSA-N 342.445 4.154 0 40 EIAB O=C1CCCN1c1cccc(-c2csc(NC3CCCC3)n2)c1 8295859 VJOBRFNLQXUKOO-UHFFFAOYSA-N 327.453 4.291 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)oc1C 8300267 KFKXOCAKMNVOPE-HNNXBMFYSA-N 336.391 4.364 0 40 EIAB CCc1cccc(C)c1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 9690220 ZRUZLYWVUCJSTM-BQYQJAHWSA-N 341.382 4.215 0 40 EIAB Cc1nc2sc3c(c2c(-c2ccco2)c1C(N)=O)CC[C@@H](C)C3 9884513 BBHKTBBFOXKABX-SECBINFHSA-N 326.421 4.088 0 40 EIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3)c12 11610295 QTTZRWJHPXHSPS-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 11703210 GDUHYSRBDYYHJL-OXJNMPFZSA-N 341.451 4.366 0 40 EIAB Brc1cccc(OCCSc2nc3ccccc3[nH]2)c1 12563567 VPUUBMOZYCHKBX-UHFFFAOYSA-N 349.253 4.497 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(C)c1 12866251 DHOVLDNJWMXLHO-HNNXBMFYSA-N 343.448 4.431 0 40 EIAB C[C@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1ccncc1 13565467 WSPMMDZMJDJSRR-AWEZNQCLSA-N 343.386 4.381 0 40 EIAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccnc1 13690159 DZPVFPQFNXEDQB-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)c1 13714080 ARYICECFIFQCLU-UHFFFAOYSA-N 348.446 4.416 0 40 EIAB C[C@H]1CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 14171410 KXYHHYSZXVORTQ-OKILXGFUSA-N 347.499 4.237 0 40 EIAB CCc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)c1 17067332 BFEYFIYQQCSLKY-UHFFFAOYSA-N 328.462 4.161 0 40 EIAB Cc1nc(C(=O)Nc2ccc3c(c2)OCO3)cc2c1[nH]c1ccccc12 18190354 APIBEYJKAAETFH-UHFFFAOYSA-N 345.358 4.006 0 40 EIAB COc1ccc(C)cc1CN1CCC[C@H](c2nc(C)n3ccccc23)C1 19133431 QWPYQCXNDVLZIO-SFHVURJKSA-N 349.478 4.339 0 40 EIAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 20411466 ZFHLHNBAXLBFRA-UHFFFAOYSA-N 344.392 4.099 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1CCOc1ccc2ccccc2c1 28961507 YLWLCQMOHOUSCA-UHFFFAOYSA-N 348.427 4.291 0 40 EIAB O=C(CCC1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 32817315 PJHNIQGFKCUVHG-UHFFFAOYSA-N 349.496 4.312 0 40 EIAB O=C(CCc1ccco1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904206 NHKIGRFGVMYBSP-UHFFFAOYSA-N 349.390 4.495 0 40 EIAB CN(C(=O)COc1ccc2ccccc2c1)[C@H]1CCc2ccccc21 32905621 UIYQUPAWHZWUHU-NRFANRHFSA-N 331.415 4.365 0 40 EIAB CCCN(CCC)C(=O)c1sc(COc2ccccc2)nc1C 36107944 JUYFADDOODVUNT-UHFFFAOYSA-N 332.469 4.293 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccsc2)c1 36366287 PJWQOOLLCHQNOB-CQSZACIVSA-N 325.393 4.066 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(F)cc(F)c2)n1 36763540 LVBMJDWVLGCIFE-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cc(C)sc2C)c1 40151749 ROHFMZSGJLCQRA-LLVKDONJSA-N 347.440 4.426 0 40 EIAB CCC(C)(C)c1ccc(O[C@@H]2CCCNC2)c(Br)c1 42775247 QYWVWLFQWAKBIJ-CYBMUJFWSA-N 326.278 4.268 0 40 EIAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cn1 44759003 JEXPMQSFLAIESB-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB CCN(CC)CCCOc1nn(Cc2ccccc2)c2ccccc12 48056677 UZNJSMFIGONURK-UHFFFAOYSA-N 337.467 4.195 0 40 EIAB in-vitro CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 48239901 RMDPYNMNZMEWGX-CYBMUJFWSA-N 329.400 4.111 0 40 EIAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H]1CCCO1 61799680 WVZMKRXQRZVQIS-NRFANRHFSA-N 347.462 4.150 0 40 EIAB Cc1nnc([C@@H](C)Nc2cccc(OCc3cccc(F)c3)c2)o1 71902531 PQVCLVLTYWYGLC-GFCCVEGCSA-N 327.359 4.269 0 40 EIAB Cc1cccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)c1 72229057 PKRNQMIRYQLLGY-UHFFFAOYSA-N 343.858 4.473 0 40 EIAB COc1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1O 72271304 MSZUNLOQFUSGQL-ZDUSSCGKSA-N 340.448 4.375 0 40 EIAB O=C1[C@H](Sc2nc3ccccc3[nH]2)CCN1c1ccccc1Cl 78602064 NUSDMBSAPBLNTK-OAHLLOKOSA-N 343.839 4.114 0 40 EIAB Clc1ccc2c(N(C[C@H]3CCCO3)C3CCCC3)ncnc2c1 78903415 CXWITYULZIEOFR-OAHLLOKOSA-N 331.847 4.211 0 40 EIAB Cc1ccc(O)c(CNc2cc(C(C)(C)C)nn2-c2ccccc2)n1 79073323 ODQSOEVOTVAOOP-UHFFFAOYSA-N 336.439 4.191 0 40 EIAB Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccc(F)cc1 84013664 WWHDBTYQDUGQEF-UHFFFAOYSA-N 343.333 4.051 0 40 EIAB O[C@@H](c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl 95079916 FDRODISLZBQQCO-IBGZPJMESA-N 347.805 4.427 0 40 EIAB Cc1csc(CCCN[C@@H](C)CC(=O)Nc2cccc(C)c2C)n1 95421641 XQZHBISIXRBLHA-AWEZNQCLSA-N 345.512 4.008 0 40 EIAB COc1ccc(C(Br)(C(F)(F)F)C(F)(F)F)cc1 95864976 WKIGVRDDIHQZJR-UHFFFAOYSA-N 337.057 4.410 0 40 EIAB c1ccc(COc2ccccc2-c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)cc1 107352434 CTGFOYKRHIJLRC-HHXXYDBFSA-N 348.402 4.351 0 40 EIAB O=C(Cc1cccs1)N1CCC[C@H]1c1nc(C2CCCCC2)no1 193168534 WHXBBWTWDHVBDU-HNNXBMFYSA-N 345.468 4.085 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C 223395422 OASMOGUHKDFLBE-IQIBNGDESA-N 337.419 4.231 0 40 EIAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)C1CCCCC1 224340041 GYFITIGALRUOLR-UHFFFAOYSA-N 325.412 4.405 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(C)c1 224537505 JNQFBFWPHBJMSE-OAQYLSRUSA-N 337.463 4.348 0 40 EIAB CCOc1ccc(C(=O)NC2CC2)cc1CSc1ccccc1 224649114 VALFVAREBBTRIB-UHFFFAOYSA-N 327.449 4.270 0 40 EIAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224905880 JBIZIDMKPCMZJR-UHFFFAOYSA-N 336.391 4.157 0 40 EIAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224920325 KPICWKBEGAJYBV-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)Cc1ccccc1 225287886 CIXSAIRWUZLTAQ-CQSZACIVSA-N 331.843 4.245 0 40 EIAB Fc1cccc(F)c1NC(=S)NCCSCc1ccccc1 225289920 JOBYEBQJCMJYQL-UHFFFAOYSA-N 338.448 4.185 0 40 EIAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1 225373607 SEKMMXORUWYFSU-UHFFFAOYSA-N 326.198 4.382 0 40 EIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225603952 OONIILILAKOWAL-FQEVSTJZSA-N 327.424 4.328 0 40 EIAB COc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1C 225681620 CJOIWQNCXCDIHX-UHFFFAOYSA-N 325.452 4.490 0 40 EIAB CCc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)cc1 225714403 JIEZCMCVGIVESU-UHFFFAOYSA-N 333.884 4.353 0 40 EIAB COc1ccc(-c2cc3nc4c(c(C(F)(F)F)n3n2)CCCC4)cc1 408891846 CRNLBPHAMSZSPJ-UHFFFAOYSA-N 347.340 4.303 0 40 EIAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(C(C)C)C1=O 409051413 CIPOUQBDHUELDH-WZUFQYTHSA-N 346.235 4.447 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccsc1 618256326 QYCIDRUFIHBUCS-NSHDSACASA-N 335.475 4.002 0 40 EIAB O=C(CCc1cncs1)NCCc1ccc(-c2ccccc2)cc1 644958755 UDASCIYSZYFWAW-UHFFFAOYSA-N 336.460 4.102 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 147264 SDBWRASUMYXKAA-XYOKQWHBSA-N 325.408 4.479 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc1 411516 AJPBRFFFKUBASM-UHFFFAOYSA-N 332.425 4.013 0 40 EIAB CCC[C@H](N[C@@H](CCC)[C@H](O)c1ccccc1)[C@H](O)c1ccccc1 2062712 BCXARWAGLICOTL-FNAHDJPLSA-N 341.495 4.381 0 40 EIAB COc1ccc(CCNC(=O)c2oc3c(Cl)cccc3c2C)cc1 2632508 ZJOLTWOXVPTSHJ-UHFFFAOYSA-N 343.810 4.376 0 40 EIAB CC1=C(C)C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C(=O)O)C1 2801651 CAXMIUKDTMCXDN-RYUDHWBXSA-N 342.222 4.379 0 40 EIAB Cc1nc(NC[C@H](O)c2ccccc2)c2c3c(sc2n1)CCCC3 3282926 PKRGXEINZCWTHP-HNNXBMFYSA-N 339.464 4.024 0 40 EIAB O=C(COc1ccc(Nc2ccccc2)cc1)NCc1ccccc1 3480366 YDRVEWGXYFMFPX-UHFFFAOYSA-N 332.403 4.125 0 40 EIAB Cc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccnc1)=N2 4130004 LRANSWNIXNSJCX-UHFFFAOYSA-N 346.821 4.477 0 40 EIAB CC(C)n1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4225254 KBCCYZKNDDAUCD-QGZVFWFLSA-N 333.435 4.133 0 40 EIAB Fc1cc(F)c2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 4568157 VEKDCFUZAYZPMX-UHFFFAOYSA-N 347.328 4.242 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2C)c1C 6215404 VEXZDKVSQFWRJI-UHFFFAOYSA-N 334.803 4.022 0 40 EIAB O=c1[nH]c(/C=C/c2cccc(O)c2)nc2sc3c(c12)CCCCC3 6509863 GHENAVPDGPNEBE-MDZDMXLPSA-N 338.432 4.130 0 40 EIAB O=C(/C=C/c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 7447520 HTQSIIMYOPWNSI-BUHFOSPRSA-N 334.463 4.002 0 40 EIAB Cn1cccc1[C@@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 7855516 UIRLCRUHWYJUAJ-INIZCTEOSA-N 342.830 4.066 0 40 EIAB O=C1/C(=C/c2cccc3ccccc23)NC(=S)N1C1CCCCC1 7916049 YDWQZVVIPPEXPL-AQTBWJFISA-N 336.460 4.230 0 40 EIAB COc1ccc(C)cc1NC(=O)c1sc(-c2ccccn2)nc1C 8986771 BADWOSWLTVPJMC-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3cc(C)ccc3C)ccc21 9107194 GYSOPGUUCKCHMD-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccccc1 10310941 UCUCWPMRHLQUQF-SFHVURJKSA-N 328.843 4.424 0 40 EIAB Cc1cc(C)nc(Oc2cccc(NC(=O)c3ccccc3C)c2)n1 12089929 DVVCSYUKHDZGQT-UHFFFAOYSA-N 333.391 4.446 0 40 EIAB Cc1sc2ncnc(NCCCc3nc4ccccc4[nH]3)c2c1C 12506860 OCKXSRGFXPRLNG-UHFFFAOYSA-N 337.452 4.229 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1Cl 12793433 LJYIBGCGVWAXKE-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl 13055724 OIWCBYBVRZEGJY-CHWSQXEVSA-N 341.282 4.444 0 40 EIAB CN(Cc1ccc2ccccc2c1)Cc1nc(O)c2sccc2n1 14137383 RXIZAPROFRIFMM-UHFFFAOYSA-N 335.432 4.182 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1ccccc1C(C)C 15966707 JGAFBBHCSSGTRV-HNNXBMFYSA-N 327.424 4.075 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2ccccc2C1 17322000 SMXRXLMSAMHLCX-UHFFFAOYSA-N 334.444 4.317 0 40 EIAB COc1ccc(-c2csc(N3CCCC3)n2)cc1Br 19542501 RCRAZZPKLBCFPZ-UHFFFAOYSA-N 339.258 4.181 0 40 EIAB CC1CCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 20483302 OSDHDGDMROIGLY-UHFFFAOYSA-N 348.556 4.180 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1Cl 20488092 PBUGXVVBVCZNBI-SFHVURJKSA-N 331.843 4.431 0 40 EIAB CCCc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 22255078 NCBXVKAZPNGSMW-UHFFFAOYSA-N 332.450 4.050 0 40 EIAB COCc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1Cl 26390821 YUAHIUBDEFCTFQ-ZDUSSCGKSA-N 332.831 4.047 0 40 EIAB CCOc1ccc(NC(=O)C[C@H]2COc3cc(C)cc(C)c32)cc1 27345154 QROCPJTXQMJLPF-HNNXBMFYSA-N 325.408 4.207 0 40 EIAB CCSc1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 27995612 QNKWZWSVBXXQTR-UHFFFAOYSA-N 332.816 4.267 0 40 EIAB COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 28758304 ZEKBNMFDVLSPAC-LLVKDONJSA-N 338.329 4.153 0 40 EIAB Cc1cc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc2[nH]1 31721891 ISYLBFSJXUEFFA-UHFFFAOYSA-N 340.448 4.156 0 40 EIAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccccc1Cl 36391184 NGRSYEUMTHENFR-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 38756297 UMMUIWQBJSNCHM-KRWDZBQOSA-N 341.451 4.348 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3ccccc3Cl)CC2)cc1 40119703 NFCXZQFTLGFFTL-UHFFFAOYSA-N 327.811 4.278 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NO[C@H](c2ccccc2)C1 40155423 SSUNBTINVDBDDU-UGSOOPFHSA-N 342.826 4.377 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl 44903988 XXKKPHZDXZXDNY-MRXNPFEDSA-N 338.234 4.467 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 44933085 QOBKHXOBFDEIEE-NRFANRHFSA-N 345.446 4.047 0 40 EIAB O=C(CCc1ccc(F)c(F)c1)Nc1cccc(-c2cnco2)c1 48204434 WGHWLENVDINJOG-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB CC(C)OCc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 48341532 GFKKXCQRRXVOMM-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB O=C(O)c1cnc(-c2ccc(Cl)cc2)nc1NCc1ccccc1 49469819 XIZZDKNSSXJSOE-UHFFFAOYSA-N 339.782 4.107 0 40 EIAB O=Cc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc12 51319001 ZHPIGRUWTSXWLI-UHFFFAOYSA-N 346.308 4.111 0 40 EIAB CCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2C1 57172548 GBLFGPOHVQCYIX-UHFFFAOYSA-N 335.403 4.330 0 40 EIAB biogenic Cc1c(F)cccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412738 STSXNEMZKIEKIQ-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)NC3CCCCCC3)cc2)n1 61110495 ZZVLJLIIRMCCFF-UHFFFAOYSA-N 325.456 4.001 0 40 EIAB CCn1c(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc2ccccc21 65476573 WYWPRAKRFZVLQQ-UHFFFAOYSA-N 348.381 4.238 0 40 EIAB CC[C@H]1c2ccsc2CCN1CCCn1c(=O)oc2ccccc21 65592127 HXNKWYVGTBECBT-HNNXBMFYSA-N 342.464 4.056 0 40 EIAB O=C(CCCOc1cccc2ccccc12)N1CCCc2ncccc21 71818681 AQQLDRWRFSCXGR-UHFFFAOYSA-N 346.430 4.373 0 40 EIAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2c2cccnc2)o1 71916075 ZOBKBGDOCLCIIY-QRVBRYPASA-N 338.451 4.484 0 40 EIAB Fc1ccc(CN2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1 72376211 AIUVCZRMJFDCJQ-SFHVURJKSA-N 349.413 4.091 0 40 EIAB Cc1ccccc1CN1CCC[C@H]1c1nnc(-c2ccsc2)o1 72390170 FFNHGOUBCGPOQO-INIZCTEOSA-N 325.437 4.444 0 40 EIAB O=C(Nc1nc2c(s1)CCC2)c1cc(-n2cccc2)ccc1Cl 79494295 FVEWOEXDEQXBTD-UHFFFAOYSA-N 343.839 4.328 0 40 EIAB Cc1cc(C)cc(C(=O)c2ccc(CN3CCSCC3)cc2)c1 85651269 CHZDACCGCXFEJZ-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB CN(C(=O)OC(C)(C)C)C1CCN(c2nsc3ccccc23)CC1 91351483 RTVSDUOASWHAHC-UHFFFAOYSA-N 347.484 4.132 0 40 EIAB O=C(NCc1cccnc1)c1ccc(Oc2ccccc2Cl)o1 96183866 YZURKYACJSAERX-UHFFFAOYSA-N 328.755 4.050 0 40 EIAB COc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1Cl 96586359 DPDTXQMIPKEYTQ-UHFFFAOYSA-N 345.826 4.245 0 40 EIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1c1ncnc2c1oc1ccccc12 97162099 FARTZHDGMGADER-AWEZNQCLSA-N 333.395 4.057 0 40 EIAB C[C@H](NC(=O)c1cc2ccccc2nc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102134683 QBWRBKVNLZLQCG-PWNZVWSESA-N 328.843 4.443 0 40 EIAB COc1nc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc2ccccc12 107343276 MUWOQKSQYHCFPK-QOKNQOGYSA-N 338.451 4.284 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 216351380 XNTLYRNIHKUOJV-XAPRQVHKSA-N 331.431 4.068 0 40 EIAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(C)cc1 216828785 HJSSSKVPVPXVOA-UHFFFAOYSA-N 334.799 4.413 0 40 EIAB Cc1ccc(SCCNC(=O)COc2cc(C)cc(C)c2C)cc1 218964511 IHYJZURGKBCLNC-UHFFFAOYSA-N 343.492 4.208 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 218969606 YFMWAKGCMJUAAV-SFHVURJKSA-N 325.452 4.485 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc2ccccc2c1 222797064 MHQQEQHKDMGTLF-OAQYLSRUSA-N 349.430 4.322 0 40 EIAB Cc1cccc(Nc2ccc(NC(=S)NC3CCCC3)cn2)c1 224036224 QXHZSEQAOJMXFE-UHFFFAOYSA-N 326.469 4.363 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c(C)c1 225358941 DPDWKPHYPMAYQQ-UHFFFAOYSA-N 325.408 4.353 0 40 EIAB CS(=O)(=O)c1ccc(CSC2=Nc3ccccc3CS2)cc1 225439042 OLAPPMVFQIWQMH-UHFFFAOYSA-N 349.502 4.258 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)cc2)cc1C 225789769 TYUJKPCUNVDIGD-AWEZNQCLSA-N 332.444 4.196 0 40 EIAB O=C(NCc1cccc2ccccc12)c1cnn(Cc2ccccc2)c1 225888688 MBZXBFFTKWYZMK-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn(Cc2ccccc2)c1 225889609 NLBFHDFLWVMFAE-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2c1 226037866 PDAAOMXADCFKHA-GFCCVEGCSA-N 341.794 4.246 0 40 EIAB CCOc1ccccc1N=c1[nH]c2c(s1)Cc1cc(OC)ccc1-2 408891810 VSAUIRCNVFQDDQ-UHFFFAOYSA-N 338.432 4.287 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(OCC)c2)C1=O 409314175 FCIWCPBMJGLOAE-LFIBNONCSA-N 349.452 4.319 0 40 EIAB CCOc1ccc(C(=O)NCc2ccc(-c3ccsc3)o2)cc1 575610521 PGKYDCWXCFIXJG-UHFFFAOYSA-N 327.405 4.337 0 40 EIAB CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@H](CO)C[C@@H]3C)o2)c1 585085603 FXHPSLXRXLDSLO-HOTGVXAUSA-N 341.451 4.303 0 40 EIAB O=C(O)C/C(=C/C1=Cc2ccccc2OC1)c1nc2ccccc2o1 588349259 IGVUDABEMGTUEH-GDNBJRDFSA-N 333.343 4.162 0 40 EIAB CC(C)Cn1ncc(NC(=O)NC[C@@H]2CCCC23CC3)c1C(C)C 626467114 CYZYHXYTVNTPQF-HNNXBMFYSA-N 332.492 4.364 0 40 EIAB Cc1cc(C)cc(OCCN(C)C(=O)Cc2ccccc2Cl)c1 1615565931 MCNZOXFSWFDRLR-UHFFFAOYSA-N 331.843 4.037 0 40 EIAB c1ccc(Nc2nc([C@H]3CCCN3Cc3cncs3)cs2)nc1 2037846343 OLOXXCUBBRVUIZ-CQSZACIVSA-N 343.481 4.075 0 40 EIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3ccccc3c2)CC1=O 60170 LHHHXEJAOGTQEO-SFHVURJKSA-N 344.414 4.140 0 40 EIAB c1coc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c1 530687 MUDFYFVKOSJWMK-UHFFFAOYSA-N 332.388 4.049 0 40 EIAB CCCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCC2 541223 SYVSUMNDYFTTGZ-UHFFFAOYSA-N 338.480 4.281 0 40 EIAB O=C1CSC2=NC(c3ccc(Cl)cc3)=C[C@H](c3ccccc3)N12 3210352 SJSOCOIXCCYEKC-MRXNPFEDSA-N 340.835 4.367 0 40 EIAB COc1ccc(/C=C2/SC(=N)N(c3cc(C)ccc3C)C2=O)cc1 3901478 DURNUFXUOGQRPD-OEQLELKQSA-N 338.432 4.368 0 40 EIAB CCc1ccccc1Nc1nnc(Cc2ccccc2Cl)c(O)n1 4225155 VEDUJNHXCMHIDF-UHFFFAOYSA-N 340.814 4.127 0 40 EIAB N=c1sc2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 4718339 UUUIDRKMWAVFMJ-CYBMUJFWSA-N 339.247 4.223 0 40 EIAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 4912047 NDCBMQWFBWYBLK-ZDUSSCGKSA-N 329.396 4.176 0 40 EIAB aggregator COc1cc(NCCN(C)[C@@H](C)Cc2ccccc2)c2ncccc2c1 5929465 CJTZZCAWDWSSRS-KRWDZBQOSA-N 349.478 4.218 0 40 EIAB CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc([N+](=O)[O-])c1O 6354871 LUVSBWHFYMVTCN-OQLLNIDSSA-N 343.360 4.029 0 40 EIAB CC(=O)Nc1ccc(SCC(=O)c2c(C)[nH]c3ccccc23)cc1 6919819 ZAQPNTDTPFZERW-UHFFFAOYSA-N 338.432 4.410 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccncc1 12622250 WETLDPPTJVWZQA-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB Cc1cnccc1-c1cnc(NCc2ccccn2)nc1-c1ccco1 12668152 JASNFDZQCOMMLO-UHFFFAOYSA-N 343.390 4.114 0 40 EIAB CSCc1nnc(SCCOc2ccc(C(C)(C)C)cc2)o1 12862449 OCYGPLWBQBIHQX-UHFFFAOYSA-N 338.498 4.401 0 40 EIAB Cc1ccc(F)c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 12892995 KYOVGTKWSWOWAO-UHFFFAOYSA-N 346.789 4.167 0 40 EIAB C[C@@H](C(=O)Nc1cccc(F)c1)N(C)Cc1ccc2ccccc2c1 12986147 PYBUIPIJBCMQFU-HNNXBMFYSA-N 336.410 4.438 0 40 EIAB C[C@H]1CCC[C@H](C)N1Cc1csc(-c2ccc3c(c2)OCO3)n1 17067856 AFCRRNYVMAZKBE-STQMWFEESA-N 330.453 4.302 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(C)=O)c1 20454098 RETBRKKQIXPEBV-GOSISDBHSA-N 325.408 4.302 0 40 EIAB O=C(c1ccc(F)c(F)c1F)N1CCC(Cc2ccccc2)CC1 22333228 KFZNTHIXVXHWRH-UHFFFAOYSA-N 333.353 4.199 0 40 EIAB Cc1nc(NC(=O)Cc2csc(-c3cccs3)n2)sc1C 32073497 BMSRWBNABKRBHC-UHFFFAOYSA-N 335.479 4.126 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(C)C)cc12 32666643 WPFQMUALAZJWFS-UHFFFAOYSA-N 332.400 4.347 0 40 EIAB Cc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1Cl 32691443 GKMFGMVBHMFTIN-KRWDZBQOSA-N 345.826 4.036 0 40 EIAB Cc1ccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1 32865749 JPIPDFXVRSEXKF-NRFANRHFSA-N 339.410 4.365 0 40 EIAB Cc1c(Cl)cccc1N1C(=O)C[C@H]([C@H](C)c2ccccc2)C1=O 35142051 RWCOEDHENPOZRT-IUODEOHRSA-N 327.811 4.332 0 40 EIAB CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(CSC)c2)c1 40106898 XOLBGVXSQAQXJB-UHFFFAOYSA-N 342.464 4.459 0 40 EIAB CCCc1cc(Br)ccc1OCC[C@@H]1CCCNC1 42770280 VKSPMHBFLYXAMQ-ZDUSSCGKSA-N 326.278 4.170 0 40 EIAB CCc1ccccc1Nc1nc(C)c(C(=O)n2nc(C)cc2C)s1 57352039 UXSDGOOOQVVPHW-UHFFFAOYSA-N 340.452 4.259 0 40 EIAB O=C(C1CCCCC1)N1CCC(Nc2ccc3ccccc3n2)CC1 57996249 JWIGPQTUYCVPMA-UHFFFAOYSA-N 337.467 4.218 0 40 EIAB Cc1noc([C@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)n1 58367115 ZSPIQSKHTWPUPJ-NSHDSACASA-N 344.802 4.179 0 40 EIAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 63850978 XWJDIBWLGAJFQG-UHFFFAOYSA-N 339.416 4.304 0 40 EIAB CC(C)n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C(F)(F)F 65604546 RYCVIESOHFLJCZ-UHFFFAOYSA-N 348.328 4.283 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N[C@@H](C)c3cccnc3)cc2)n1 69973205 IBMHWNQPWUZVFD-ZDUSSCGKSA-N 338.436 4.396 0 40 EIAB CC(C)NC(=S)NC[C@H]1CC2c3ccccc3C1c1ccccc12 70006741 UCNUOCNKAWGIIO-WPUWVODUSA-N 336.504 4.156 0 40 EIAB Cc1ccc(-c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2)o1 72243332 HGOLZBSARKMEPW-UHFFFAOYSA-N 345.402 4.072 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c(C)c1 72427502 RYRSBLMMFWQREX-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB CC(C)n1cc(CCCC(=O)NCc2ccccn2)c2ccccc21 79479261 LUNUHFLKGCHUBT-UHFFFAOYSA-N 335.451 4.256 0 40 EIAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccnc2ccccc12 84028603 MNZHKGPSXMWGHE-UHFFFAOYSA-N 345.377 4.161 0 40 EIAB CO[C@H](C)c1nc(CSCc2cn3cccc(C)c3n2)cs1 84495949 PRYUVJWKFTZCLX-GFCCVEGCSA-N 333.482 4.240 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)o1 89558229 CLQXZRISJYZFQV-UHFFFAOYSA-N 347.374 4.276 0 40 EIAB C[C@@H](NCc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1 89909881 XXCINKABCYJGMA-CQSZACIVSA-N 338.480 4.447 0 40 EIAB Cc1cnc2ccccc2c1NC(=O)COc1cccc(Cl)c1 95997558 DQBLBCFNZTUANW-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccccn1 96118009 VKQZMWPMATVJTE-AWEZNQCLSA-N 325.799 4.024 0 40 EIAB CC[C@@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F 96476585 KJJGCEQDVCEFQJ-MLGOLLRUSA-N 335.398 4.497 0 40 EIAB C[C@@H](Nc1ccc(CN2CCCC2)cc1)c1ccc([S@](C)=O)cc1 97037130 JJCCIMQMVZPTNK-VOIUYBSRSA-N 342.508 4.193 0 40 EIAB CN(Cc1ccc(Cl)s1)C(=O)C(C)(C)c1cccc(F)c1 97212546 LXEYIHBZMAQQHF-UHFFFAOYSA-N 325.836 4.477 0 40 EIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2ccccc2s1 102181725 VJBKPCAJJMVXSS-FRRDWIJNSA-N 334.510 4.329 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102235519 KMGBJUJLCHILAK-YCCFLXJFSA-N 335.875 4.357 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)CCc2ccccc2F)cc1 223033151 AUUKHLOLUAJOTG-UHFFFAOYSA-N 343.442 4.295 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccc2ccccc2c1 223621309 MIZUYYSLFBPMFA-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1F 223831104 LMUURLOYQLJUKC-UHFFFAOYSA-N 349.833 4.340 0 40 EIAB Cc1cnc(NC(=S)NCCCc2ccc(F)cc2)c(Cl)c1 223966064 KYPUPFQUKPVNHV-UHFFFAOYSA-N 337.851 4.102 0 40 EIAB S=C(Nc1ncc(Br)cc1Cl)NC1CCCCC1 224036546 ILYRNSNNQKAQBN-UHFFFAOYSA-N 348.697 4.117 0 40 EIAB Cc1ccc(CSCCNC(=S)Nc2cccc(F)c2)cc1 225292941 KJEJGVRLBXHXBW-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccccc1 225480383 WFLKVMKNGJOYJW-MRXNPFEDSA-N 342.464 4.219 0 40 EIAB COc1cc(C)c(S(=O)(=O)NC(C(C)C)C(C)C)cc1C(C)C 225729320 XHYNYLFWZGJCEV-UHFFFAOYSA-N 341.517 4.086 0 40 EIAB CCCOc1ccc(NC(=O)c2cn(C)nc2-c2ccoc2)c(C)c1 390835296 JQDFKSHFEOYWAJ-UHFFFAOYSA-N 339.395 4.030 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408708513 JFWFDNBGLRUDSA-OAHLLOKOSA-N 332.488 4.255 0 40 EIAB CCOc1cccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c1O 409094307 DDBIPRVLDPDPLX-JYRVWZFOSA-N 349.308 4.302 0 40 EIAB C[C@@H](NCC1(c2ccccc2Cl)CC1)c1cn2ccccc2n1 556264392 NMPBMTRJPYKBJX-CQSZACIVSA-N 325.843 4.370 0 40 EIAB Cc1ncc(CN[C@H](c2ccc(Br)cc2)C2CCC2)n1C 570293951 SXLUXYHQSUNLCV-KRWDZBQOSA-N 348.288 4.122 0 40 EIAB COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 354641 VYLAUBPVQFNHMX-OVCLIPMQSA-N 348.185 4.347 0 40 EIAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCC3)c2c1C 414687 WQKHYXFCSXGLEE-UHFFFAOYSA-N 349.525 4.146 0 40 EIAB Fc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 526258 TZKNYNZUQAYZSG-HOTGVXAUSA-N 328.778 4.217 0 40 EIAB Cc1ccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)c(C)c1 541558 BOOSBCBOLJFAND-UHFFFAOYSA-N 346.438 4.128 0 40 EIAB O=C(COc1cccc2ccccc12)Nc1ccc(N2CCCC2)cc1 1101315 JUEIMJRWRRQWLT-UHFFFAOYSA-N 346.430 4.458 0 40 EIAB Cc1ccc(N2C(=O)[C@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc1 1394084 OMOXCNHOHLCAAM-RTWAWAEBSA-N 334.463 4.185 0 40 EIAB CC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 2092808 VLJBAHSCBUFIGT-HKUYNNGSSA-N 335.488 4.496 0 40 EIAB biogenic O=C(c1ccc(Cl)cc1)c1ccccc1I 2392537 SIZXQQBPUBGFCC-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB O=C(c1ccc(Br)cc1)c1cccc(CN2CCCC2)c1 2515061 JOMIDXITRZUFCX-UHFFFAOYSA-N 344.252 4.276 0 40 EIAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 2614190 MFGACVUQAVSPNQ-LLVKDONJSA-N 342.489 4.294 0 40 EIAB COc1ccccc1-c1nc(S)c2c(n1)Oc1ccc(C)cc1C2 2691567 OCKCUZKSLNMHKT-UHFFFAOYSA-N 336.416 4.446 0 40 EIAB CCOc1ccc(-c2cnc(NCCC(C)C)n2CCOC)cc1 4679232 JHKAHGHPUPYRKP-UHFFFAOYSA-N 331.460 4.053 0 40 EIAB CC[C@@H](O)c1ccccc1NC(=O)c1ccccc1Br 4733149 JNMQHUCDECAELN-OAHLLOKOSA-N 334.213 4.145 0 40 EIAB C[C@H](Sc1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1 5627606 MDESDGVKKSZFDC-LBPRGKRZSA-N 333.416 4.325 0 40 EIAB CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 6721915 XNHPNRGFEWVBFY-UHFFFAOYSA-N 325.799 4.210 0 40 EIAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@@H](C)C1 7386014 GVLDSEQXKJISGZ-UTUOFQBUSA-N 329.271 4.298 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 7709451 BSJFXNVCTIKKIH-UHFFFAOYSA-N 340.448 4.333 0 40 EIAB Cc1ccc(SCCC(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1 7740736 IDKRNRJCGHDGGE-OAHLLOKOSA-N 343.448 4.048 0 40 EIAB CC(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)s1 7947537 KHBIMHQDPZCIAP-UHFFFAOYSA-N 327.449 4.046 0 40 EIAB c1coc(-c2nnc(SCc3cc(-c4cccs4)on3)o2)c1 8324855 SQDNQHQOEINUEM-UHFFFAOYSA-N 331.378 4.338 0 40 EIAB COc1ccc2nc(N3C(=O)CS[C@H]3c3ccccc3)sc2c1 8715613 ABPQOPJBBOETLR-INIZCTEOSA-N 342.445 4.084 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccc1 8734470 JZOPDSSQVMNAPV-CYBMUJFWSA-N 340.423 4.369 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)Nc1ccccc1 8862970 DFMOPFNYPCFQEC-GOSISDBHSA-N 343.496 4.487 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1ccccc1F)c1ccc2c(c1)OCCO2 9977296 XQEFWQCRVDCJEA-GOSISDBHSA-N 344.386 4.116 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 10276684 AVMPOZOMDNNIOF-MRXNPFEDSA-N 345.508 4.473 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@H](c2cccs2)C2CC2)c(C)c1 10683038 IETOHPANKSCAIS-INIZCTEOSA-N 335.494 4.103 0 40 EIAB c1ccc2oc(CSc3nnc(-c4ccncc4)n3C3CC3)nc2c1 10718096 VQWPOFFQCNNTKY-UHFFFAOYSA-N 349.419 4.109 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1C 11903232 ANGBFULXJBRRTD-CYBMUJFWSA-N 325.437 4.299 0 40 EIAB Cn1cncc1CN[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 12087517 CDJGIYHFOCMFSK-YRXWBPOGSA-N 329.875 4.136 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2cc(C(C)=O)ccc2OC)cc1 12915413 FOUBXFLQEKTNTG-FQEVSTJZSA-N 339.435 4.244 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccccc2)c1 13646531 IIZDYNLNQCUBQD-AWEZNQCLSA-N 343.448 4.291 0 40 EIAB COc1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc(OC)c1 15857949 NQVQUSITXGKOFZ-CMDGGOBGSA-N 349.430 4.033 0 40 EIAB CC(C)Oc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 15977025 SYNMIOIYATYBRC-UHFFFAOYSA-N 337.341 4.423 0 40 EIAB CCCCc1ccc(NC(=S)NCCc2ccc(O)cc2)cc1 17067343 XUNAGZXISMNQJK-UHFFFAOYSA-N 328.481 4.264 0 40 EIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccco1 17178263 OANJVJVTMNYRQZ-UHFFFAOYSA-N 346.386 4.125 0 40 EIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 20050660 AIPLRVQFKXAIHN-SFHVURJKSA-N 327.424 4.498 0 40 EIAB CCOc1ccc(Cl)cc1CNCCc1ccc(OC)c(OC)c1 22074386 WWHSZRNZQFUMAI-UHFFFAOYSA-N 349.858 4.088 0 40 EIAB Cc1c(C(=O)Nc2cccc3c2CCCC3)cnn1-c1ccc(F)cc1 24442670 GGRYZOBXCAJJNV-UHFFFAOYSA-N 349.409 4.451 0 40 EIAB Cc1cc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)on1 24510335 INIFABXFOGNYLK-MHWRWJLKSA-N 343.379 4.468 0 40 EIAB CC[C@H](C(=O)Nc1cnn(Cc2cccc(F)c2)c1)c1ccccc1 28220546 JBCIFWMYHNBSII-IBGZPJMESA-N 337.398 4.203 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)cc2c1C 28243993 WZTLEXFNFPDETG-UHFFFAOYSA-N 330.391 4.427 0 40 EIAB Cc1cccc(-c2noc(CN3CCc4sccc4[C@H]3C)n2)c1 29708028 FFTLIXKNHYGWFV-CYBMUJFWSA-N 325.437 4.226 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)s1 29765917 FHNCWBZOBDXZMO-UHFFFAOYSA-N 330.434 4.430 0 40 EIAB COc1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C 31273478 YYCRIYLHKDJSRL-UHFFFAOYSA-N 328.393 4.281 0 40 EIAB COc1ccccc1C(=O)Nc1cccc(-c2nc3cnccc3o2)c1 32072298 OLRFJGWDAAZOCH-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB O=C(c1cc(-c2ccccn2)nc2cc(F)ccc12)N1CCCCCC1 32102241 FTHDTNIMAHWNEG-UHFFFAOYSA-N 349.409 4.452 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccccc2Cl)c1 32820683 GZIHNYKMMCFDAL-QGZVFWFLSA-N 345.826 4.335 0 40 EIAB Cc1cccc(-c2nc(CSc3nc4ccccc4n3C)no2)c1 32913791 FZGNTLSQGHKXDM-UHFFFAOYSA-N 336.420 4.224 0 40 EIAB CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccccc1 38771406 FYFSQUSSLVRAGU-SFHVURJKSA-N 335.444 4.033 0 40 EIAB CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38835314 RPGXWPJBSPQYJA-SFHVURJKSA-N 340.442 4.239 0 40 EIAB COc1cc(OC)c(NC(=O)N(C)Cc2ccc(C)cc2)cc1Cl 40103508 QRZQXKFCWGFJCF-UHFFFAOYSA-N 348.830 4.330 0 40 EIAB CCC(=O)Nc1cccc(C(=O)N[C@H](C)c2cc(C)sc2C)c1 48234981 UMEAFRDBWDMYOK-GFCCVEGCSA-N 330.453 4.204 0 40 EIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1OCCc1ccccc1 49546357 QMPYEMIMAYXZPR-QGZVFWFLSA-N 347.418 4.165 0 40 EIAB Cc1noc(C)c1COc1ccc(/C=C2/SC(=S)N=C2O)cc1 56663990 UISFZXJHDUFEGV-VGOFMYFVSA-N 346.433 4.200 0 40 EIAB COc1c(Br)cc(C(C)C)cc1C(=O)NC1CCCC1 57339394 DKFBOWWUIDVPDQ-UHFFFAOYSA-N 340.261 4.254 0 40 EIAB C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1 58345330 VLOQQAOSZMHKHR-DNVCBOLYSA-N 342.870 4.182 0 40 EIAB Cc1csc(-c2ccc(NC(=O)NCc3csc(C)n3)cc2)n1 69844367 FUWLMLKERROEFR-UHFFFAOYSA-N 344.465 4.205 0 40 EIAB O=C(Nc1ccccc1Br)c1coc(-c2ccccc2)n1 78024014 ORZKMJNHXXOGCT-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 84689576 WDVCWHUDBXTGIM-MUKKUYKPSA-N 341.430 4.257 0 40 EIAB CCCN1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 85554778 YJLJVVFOCHHTQG-UHFFFAOYSA-N 329.494 4.375 0 40 EIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 95401972 MLRXYOFCYPMGIW-OKZBNKHCSA-N 341.838 4.426 0 40 EIAB C[C@@H](Sc1nnc(-c2cccnc2)o1)c1ncc(C(C)(C)C)o1 95406426 JZFCDZMNTJNNFA-SNVBAGLBSA-N 330.413 4.270 0 40 EIAB c1ccc(N2CCC(N[C@@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1 95420312 GJSNSKXDTNLZLY-LJQANCHMSA-N 349.478 4.087 0 40 EIAB CC1=C(C(=O)N[C@H](c2ccncc2)c2cc3ccccc3o2)CCCO1 95439519 WKYSPJXPLGFVBG-HXUWFJFHSA-N 348.402 4.118 0 40 EIAB CCc1ccc(CCC(=O)NCC2(c3ccncc3)CCCC2)cc1 95453019 LRGPBHYUAMPZEN-UHFFFAOYSA-N 336.479 4.205 0 40 EIAB CC(C)n1ccc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc21 95480592 XZJOGGZOVHDFMM-OAQYLSRUSA-N 348.446 4.436 0 40 EIAB Cc1ccc(C)c(NC(=O)N2CCCCC[C@H]2c2noc(C)n2)c1 95998786 GUXBXKYUEHYKBV-INIZCTEOSA-N 328.416 4.144 0 40 EIAB Cc1ccc(N(C(=O)c2cc(C3CC3)on2)C2CCCCC2)nc1 96483141 LQGASNJBDYCVSN-UHFFFAOYSA-N 325.412 4.235 0 40 EIAB N=C1O[C@@H](c2c[nH]c3ccc(OCc4ccccc4)cc23)C(O)=C1O 100134583 HYTXQSQZJYMUOT-SFHVURJKSA-N 336.347 4.123 0 40 EIAB in-vitro O=C(Nc1ccc2c(c1)CCCN2)c1sccc1Br 111533966 DNJPIFKROXHKSD-UHFFFAOYSA-N 337.242 4.121 0 40 EIAB Cc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccsc2)s1 207964128 FZMCFSVKSCFWAK-QGZVFWFLSA-N 343.473 4.130 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2cc(C)ccc2C)cc1Cl 216285918 KZAINYHHCQNRSG-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB Cc1cnc(NC(=S)NCc2ccc(Cl)cc2)c(Cl)c1 223928759 WKJXRAWBNANNOD-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CCc1ccc(CCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224168547 MBXJHIMNWJGKSW-UHFFFAOYSA-N 345.870 4.339 0 40 EIAB CC[C@H](Sc1nnc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)O 224975897 HLUGOWBQZVHJHJ-HNNXBMFYSA-N 339.420 4.094 0 40 EIAB CCN(c1ccccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225051336 XHIIRGUOTKHBGZ-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccccc3)ccc21 225133426 AOGVUHTWVBTLBA-UHFFFAOYSA-N 340.448 4.215 0 40 EIAB S=C(NCCOc1ccccc1Cl)Nc1ccccc1Cl 225779352 SNMSYHLNWLNOJP-UHFFFAOYSA-N 341.263 4.359 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OC(F)(F)F)cc1 245225360 TUBKTVQKUHUFJP-UHXUCMFUSA-N 327.346 4.199 0 40 EIAB CCc1ccccc1Nc1nc([C@H]2CCCNC2)c2sccn12 257267820 MIXCZGUVQBEPSG-AWEZNQCLSA-N 326.469 4.169 0 40 EIAB CC(C)(CC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)C1CC1 552412619 HQWYQNKGPKJAKT-HNNXBMFYSA-N 331.460 4.217 0 40 EIAB O=C(c1ccc(OC2CCCC2)nc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257414 VOPHSLRXRRBLSP-ROUUACIJSA-N 338.451 4.260 0 40 EIAB CCOC(=O)c1ccc(-c2cncc(NC(=O)OC(C)(C)C)c2)cc1 1772715253 IQFUWPTYSJYQEA-UHFFFAOYSA-N 342.395 4.272 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 298361 PWUCNJOEROUNMR-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cc1nc(SCC(=O)NC2CCCCC2)c2c(C)c(C)sc2n1 414758 PVOUCHRRDRZDQF-UHFFFAOYSA-N 349.525 4.158 0 40 EIAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccnc3Cl)c2C1 426621 GVTWEMHABDZZQX-SNVBAGLBSA-N 333.819 4.126 0 40 EIAB OC1CCC(Nc2ncnc3sc(-c4ccccc4)cc23)CC1 3377110 UNJQLRIUYYKBCA-UHFFFAOYSA-N 325.437 4.074 0 40 EIAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)s1 4242438 HUAJNJKTZKDNDT-UHFFFAOYSA-N 327.192 4.060 0 40 EIAB Cc1ccc(-n2ncc3c(NCCC(C)C)ncnc32)cc1Cl 4354675 RAGCGOYWWKNXIH-UHFFFAOYSA-N 329.835 4.235 0 40 EIAB COC(OC)C12c3ccccc3C(c3ccccc31)c1ccccc12 5049071 RWEONYJWRQWDLB-UHFFFAOYSA-N 328.411 4.447 0 40 EIAB Fc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1 5266568 LGNZEZSSYNHVLR-UHFFFAOYSA-N 326.356 4.044 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1ccccc1 5415767 FJRVLNHAHKUKFS-BHIYHBOVSA-N 346.467 4.166 0 40 EIAB COc1cccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OC 5445707 MNWVJYSOXHRMMQ-BUBBNXEVSA-N 343.467 4.039 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)/C=C/c2ccccc2Cl)cc1 5483356 XTJDCDNSLFDDQI-ZHACJKMWSA-N 339.782 4.350 0 40 EIAB COCc1c(C(=O)Nc2ccc(OC(F)F)cc2)oc2ccccc12 5512164 NGEWPXJKHRCJQI-UHFFFAOYSA-N 347.317 4.433 0 40 EIAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccco2)c1C 6747367 UHLCKRLKMTXHBL-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB CC(C)[C@H](NC(=O)c1cccc(F)c1)c1ccc2c(c1)OCCCO2 6789988 AQRSOSKZIZNIOS-IBGZPJMESA-N 343.398 4.114 0 40 EIAB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccnc1 6962585 MCMUQELTSSOFDM-IBGZPJMESA-N 334.448 4.186 0 40 EIAB Cc1ccc(OCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 7661111 ULGHBMGZCOFBDC-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccc(Br)cc1Cl 7748439 IOJIBWKIPNPGPP-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Cl 7750042 MLRZSLSATXLQOM-GOSISDBHSA-N 340.810 4.243 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 7871790 XRZRTBKNRFTSTK-OAHLLOKOSA-N 329.465 4.143 0 40 EIAB Cc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccccc1 8332480 IXPFKZWLNINWET-ZZEZOPTASA-N 342.851 4.457 0 40 EIAB Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)no1 8343651 NWVKLYJIJMSCDB-CQSZACIVSA-N 340.448 4.318 0 40 EIAB Cc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)nc3ncccn23)cc1 8766625 HFYUFPYZIZHSCA-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 9255840 GRQJXTIOWFVQIV-UHFFFAOYSA-N 336.416 4.248 0 40 EIAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)cc1 9365289 FLNRNVHTCUUHKP-UHFFFAOYSA-N 337.206 4.133 0 40 EIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1F 11523998 SUPXERHDITVTRI-UHFFFAOYSA-N 341.411 4.288 0 40 EIAB Cc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)o1 11917375 IHMWOJSRXWBVRJ-UHFFFAOYSA-N 326.783 4.483 0 40 EIAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12 12486796 QIDGXUMBRJBSKY-UHFFFAOYSA-N 348.402 4.069 0 40 EIAB COc1ccc(C(=O)N(c2ccccn2)C2CCCCC2)c(OC)c1 12541310 HOBJTLGMBYMLQH-UHFFFAOYSA-N 340.423 4.078 0 40 EIAB O=C(Nc1ccccc1F)Nc1ccccc1C(=O)NC1CCCC1 12569098 VXZDWOUYPYFCOG-UHFFFAOYSA-N 341.386 4.142 0 40 EIAB COc1ccc2cc(CN(C)C(=O)COc3ccc(C)cc3)ccc2c1 12883525 JSCAFOJJSOGOTL-UHFFFAOYSA-N 349.430 4.194 0 40 EIAB COc1cccc(CC(=O)Nc2cccc(OC3CCCC3)c2)c1 12884855 GJXDFWOYEIQLPE-UHFFFAOYSA-N 325.408 4.198 0 40 EIAB CCOc1ccc(CN(C)Cc2cc(=O)oc3cc(C)ccc23)cc1 12921242 NYYSBJHDLXZDPF-UHFFFAOYSA-N 337.419 4.132 0 40 EIAB Cc1cc(NC(=O)c2nc3ccccc3s2)n(-c2ccccc2)n1 13701126 ANRBKFKPFFWUKV-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 14094079 XPJUKBPWBHKOEI-VIFPVBQESA-N 341.841 4.187 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 15307286 UVGFPVDJCRFIPE-RVKKMQEKSA-N 347.455 4.172 0 40 EIAB CCCOc1ccccc1C(=O)Nc1ccc(OC)c2ncccc12 15840707 XRQYTIRAGDKFRU-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB CN(CCc1ccccc1)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 19586211 RCBHZACSLJCUJW-IBGZPJMESA-N 335.451 4.089 0 40 EIAB CCN(CC)CCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 19872535 NFDHQWVZZRYFDU-UHFFFAOYSA-N 336.863 4.040 0 40 EIAB CCOc1ccc(CCC(=O)NCc2cccc(C)c2)cc1OCC 20108778 APDAKBFPXPRHRG-UHFFFAOYSA-N 341.451 4.041 0 40 EIAB COc1ccccc1Cn1c(-c2ccccc2)nc2ccccc2c1=O 20799239 LZJPPNRPCCWSTK-UHFFFAOYSA-N 342.398 4.120 0 40 EIAB O=C(Nc1nc2c(s1)CCCCC2)c1cc(-c2cccs2)on1 22326170 GJIYHVXRJOKXDO-UHFFFAOYSA-N 345.449 4.381 0 40 EIAB O=C(Nc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12)C1CC1 23128144 MPAJLQMQYTTZSB-UHFFFAOYSA-N 347.296 4.257 0 40 EIAB COc1ccc(C)cc1CCNC(=O)c1occc1-c1ccccc1 24988946 QZRGTCLVONGZIL-UHFFFAOYSA-N 335.403 4.236 0 40 EIAB O=C(NCCSCc1ccccc1)C1(c2ccccc2)CCC1 26064180 SYGAUZYKTBDKHF-UHFFFAOYSA-N 325.477 4.158 0 40 EIAB CN(Cc1ccccc1Br)c1cnc2ccccc2n1 26135378 MVSVCMBUNXNNHX-UHFFFAOYSA-N 328.213 4.029 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC)cc1 30855276 XTLZJCUSJQPDTQ-HXUWFJFHSA-N 349.430 4.322 0 40 EIAB Cc1cnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 31876943 XNUQZNMXBVMTGZ-UHFFFAOYSA-N 330.434 4.344 0 40 EIAB Cc1c(C(=O)Nc2ccccc2F)cnn1-c1ccc(Cl)cc1 32901292 LRASUIRKKZFMOW-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB Cc1cc(C)n(CCC(=O)Nc2ccccc2Oc2ccccc2)n1 32906161 YIFARJUSRKFYHW-UHFFFAOYSA-N 335.407 4.321 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NC[C@H](C)N1CCCC[C@@H]1C 36847536 WESHCXQQFSZURC-STQMWFEESA-N 339.936 4.198 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccccc1N(C)c1ccccc1 40114530 DHYRPJRJUGEHGH-UHFFFAOYSA-N 335.407 4.241 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCC[C@@H]1c1cccs1 48085055 VSTTVJUZWNURTQ-OAHLLOKOSA-N 342.468 4.112 0 40 EIAB Cn1c(SCCc2ccccc2)nnc1-c1ccc(Cl)cc1 57516679 HAEKIZNITHFCEZ-UHFFFAOYSA-N 329.856 4.470 0 40 EIAB Cc1[nH]c2ccc(C(=O)NC[C@@H](C3CCCCC3)N(C)C)cc2c1C 58475477 ZFJSZMVSWPRNGK-FQEVSTJZSA-N 341.499 4.025 0 40 EIAB COc1ncccc1NC(=O)N(C)C1CCC(c2ccccc2)CC1 65491246 QLCYJIFVVCACMM-UHFFFAOYSA-N 339.439 4.280 0 40 EIAB COc1cccc2cc([C@@H](C)NCc3nc4ccccc4n3C)oc12 66970978 STNIOSDIWAJKJL-CYBMUJFWSA-N 335.407 4.179 0 40 EIAB COc1cccc2c(C)c(C(=O)Nc3ccc(-c4nnco4)cc3)oc12 69770919 XOKVAXZTNOXEBI-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB Cc1nc([C@@H](C)NC(=O)N(Cc2ccc(F)cc2)C2CC2)cs1 72271617 URJAHUZAZQSXDT-LLVKDONJSA-N 333.432 4.026 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccccc1SC(F)F 72283373 JOBZFBXOFXBBME-QMMMGPOBSA-N 341.383 4.489 0 40 EIAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CC2 72296048 YHMJYBDCBCOKBD-UHFFFAOYSA-N 337.423 4.015 0 40 EIAB Cc1sc2nc([C@@H](C)Sc3nccn3C3CC3)nc(N)c2c1C 73395918 BBENNHHSJIMACE-SNVBAGLBSA-N 345.497 4.275 0 40 EIAB Cc1ccccc1NC(=O)c1cn(Cc2cccc(Cl)c2)nc1C 75093749 MBNVGFCSKRJPMS-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB O=C(/C=C/c1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2 96099213 UKIQIUVWDXLQOU-CCEZHUSRSA-N 349.478 4.207 0 40 EIAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccccn1 96118008 VKQZMWPMATVJTE-CQSZACIVSA-N 325.799 4.024 0 40 EIAB O=C(Nc1ccc(NCc2cccc(O)c2)cc1)N1CCCCCC1 96482832 CGHYAKCDSIWCMT-UHFFFAOYSA-N 339.439 4.412 0 40 EIAB Cc1noc(-c2sccc2NC(=O)/C=C/c2ccccc2Cl)n1 207958327 XMBCKYXTOICZPX-VOTSOKGWSA-N 345.811 4.412 0 40 EIAB Cc1ccc(CNC(=S)Nc2nc(C)c(Cl)cc2Cl)cc1 223941842 VTCPRJBRMRRDPN-UHFFFAOYSA-N 340.279 4.492 0 40 EIAB CCCSc1nnc(NC(=O)c2cc3cccc(OC)c3o2)s1 224192485 XZKQWIDBBRFUOX-UHFFFAOYSA-N 349.437 4.047 0 40 EIAB CCN(c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224933586 NAMMJQPVLHTMDF-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB CCO[C@@](C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 225722570 UUPYACJDTHLPSE-OAQYLSRUSA-N 339.435 4.409 0 40 EIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225818242 RDIBUGVWGXRODD-MRXNPFEDSA-N 347.377 4.494 0 40 EIAB Cc1noc(C)c1-c1cc(C2CCN(Cc3ccncc3)CC2)ccn1 257290444 QCZFWHCENWCUON-UHFFFAOYSA-N 348.450 4.128 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2ccc3cnccc3c2)CC1 257299755 RRKQQGGIESLYAO-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB Cc1ccc(N(C(=O)c2cnc3ccccc3n2)C2CCCCC2)nc1 329359131 GJDDQOBSNMBFHS-UHFFFAOYSA-N 346.434 4.313 0 40 EIAB CCCCc1ccc(C(=O)[C@@H](Br)CBr)cc1 382674238 JGLHXRJRFDHREX-LBPRGKRZSA-N 348.078 4.370 0 40 EIAB Cc1cccc(-c2ccc(CNC(=O)c3cc(C4CC4)[nH]n3)cc2)c1 522857589 CLMGBNJTMHMLPP-UHFFFAOYSA-N 331.419 4.193 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccsc2)o1 575610419 MKUQIZOAZPBDQX-UHFFFAOYSA-N 347.823 4.357 0 40 EIAB O=C(CCCC(=O)c1ccccc1)NCc1cncc(-c2ccoc2)c1 575619439 FTKRYYKPGYEDKS-UHFFFAOYSA-N 348.402 4.011 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](C)Oc1ccccc1 575620768 LZOYOSMABYTEKZ-LSDHHAIUSA-N 339.460 4.416 0 40 EIAB O=C(c1ccc(Br)cc1)N1CC[C@H](c2ccsc2)C1 667373779 JFYPVNQLZKZHJD-LBPRGKRZSA-N 336.254 4.140 0 40 EIAB C[C@@]1(c2ccccc2)CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1 1559534554 QCUBRLQSVIFIPU-JOCHJYFZSA-N 349.430 4.052 0 40 EIAB CCOc1ccccc1C(=O)N[C@H](c1cccs1)C1CCOCC1 1565523552 QMPJTFULFXGDKQ-SFHVURJKSA-N 345.464 4.045 0 40 EIAB Fc1cc(Cl)ccc1-c1nnc2n1CCCC[C@@H]2C1CCOCC1 1616038060 GMYCKEZEQDIUDV-CQSZACIVSA-N 349.837 4.432 0 40 EIAB COc1ccc(CCC(=O)NCc2cc(-c3ccco3)cs2)cc1 1888970070 PYXVUUYUNKWADD-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)cc1C 121779 WATBFCDLLHSZKY-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1)CSC2 189424 YBQVWZZIOMMGPE-UHFFFAOYSA-N 335.860 4.291 0 40 EIAB O=C(Nc1cccc2ccccc12)c1cncc(Br)c1 255990 NUXNMGIJXXNCPC-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@H]1C2 352935 ARZVELAWNXFNEU-FVMDXXJSSA-N 326.223 4.327 0 40 EIAB CSc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)c1 422975 DFQHEZFHBUPLCX-CRAIPNDOSA-N 326.421 4.178 0 40 EIAB COc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1OC 496520 ZLURKVTUNOVVQC-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CCn1nc(NC(=O)c2ccccc2C)c2cc3cc(C)ccc3nc21 1270831 OXNVHOXUTKQEQQ-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB C[C@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 2766343 KTIVGPVAPGTPPW-LBPRGKRZSA-N 330.255 4.411 0 40 EIAB COC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC 2773023 CKRYHKZGIUAHNZ-UHFFFAOYSA-N 325.773 4.033 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1cccc(F)c1 3224654 HPYBEXPEGGJHPO-ZHACJKMWSA-N 341.382 4.144 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccc(C)cc2Br)c(C)c1 3410909 DWGOCRUHHNUMTA-UHFFFAOYSA-N 347.256 4.425 0 40 EIAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1cccc(F)c1 4167234 JBHIXFCUIFAREQ-UHFFFAOYSA-N 345.424 4.075 0 40 EIAB COC(=O)CCCCCCCCCCNC(=O)c1cccs1 4610393 LQNBAYQYNQTXJT-UHFFFAOYSA-N 325.474 4.162 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 4660357 FVAOBAAJFRWURS-JTNHKYCSSA-N 330.255 4.456 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 5676466 MPIHOQNZPGKBCZ-UHFFFAOYSA-N 325.742 4.414 0 40 EIAB COc1ccc2c(c1)C(c1ccccc1)=NNC(c1cccs1)=N2 6556082 ZFYQMBAJAXKDGL-UHFFFAOYSA-N 333.416 4.191 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2ccccc2C)c(C)c1 6629917 QSKZIYOXHKDWHG-UHFFFAOYSA-N 326.440 4.167 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc(Cl)c3)oc2c1C 6811344 UGOIAGBHTYDNJZ-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 7918914 NOIOACYXYGILBF-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB COc1cc(CNC2CCCCCC2)cc(Br)c1OC 8469806 CIIQERFPTAPXSH-UHFFFAOYSA-N 342.277 4.279 0 40 EIAB COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2F)cc1Cl 8744814 HYJQUYYXZGRATI-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccc(OC[C@@H]2CCCO2)cc1 12935593 QUSZBHLJFKAHCL-KRWDZBQOSA-N 348.402 4.045 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc(OC)c1 12975480 FFDAPFZZVQLMHC-IWAYRVGRSA-N 327.449 4.306 0 40 EIAB CCCc1noc([C@@H](C)Sc2n[nH]c(/C=C/c3ccccc3)n2)n1 12978069 PPFVZLMJYZCGDF-HCRIHEDKSA-N 341.440 4.164 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(C)c(F)c1 15123090 DSMVZWVWIZKXCM-UHFFFAOYSA-N 336.794 4.155 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2F)s1 15840077 VCIIZWBXZFSDMH-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB Cc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2)no1 16362220 RZQKNOFINZEQKD-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Cc1cccc(Cl)c1NC(=O)CSC(=S)N1CCCCC1 16362302 BCMNFVQTTOMGOG-UHFFFAOYSA-N 342.917 4.091 0 40 EIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1)C3 19890873 ZVHSZXJOKYNMHG-UHFFFAOYSA-N 349.430 4.113 0 40 EIAB biogenic CCOc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 20106503 IRPIZBRJXOKCIF-KRWDZBQOSA-N 341.451 4.267 0 40 EIAB CC1=C(C(=O)OC2CCCCC2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20375191 YUVXZYVLQAHIBD-JXFKEZNVSA-N 327.424 4.022 0 40 EIAB Cc1ccc(S(C)(=O)=O)cc1NCc1ccccc1C(F)(F)F 23627063 NJSSUFYTBLXYJL-UHFFFAOYSA-N 343.370 4.029 0 40 EIAB Cc1cccc(OCCNC(=O)CSCc2ccccc2Cl)c1 23733690 OQXJJXMLMOXAFY-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB O=C(CCCc1cccs1)N[C@H](c1ccccc1)c1ccccn1 23996943 RIGGKLWZMFGMIR-HXUWFJFHSA-N 336.460 4.372 0 40 EIAB O=C(c1cccc2cn[nH]c12)N1CCC[C@@H]1c1nc2ccccc2s1 24584954 BAGGELSAXUBTQA-OAHLLOKOSA-N 348.431 4.150 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1Cl 32585724 SBUIZRSPIWTJPO-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21 38846318 WCPSZOGARLDLBV-UHFFFAOYSA-N 339.402 4.189 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 40116466 NZESECWYTOJIJD-LLVKDONJSA-N 341.304 4.101 0 40 EIAB CCc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 44845437 WDLHYWLCLULMFI-ZDUSSCGKSA-N 328.412 4.149 0 40 EIAB Clc1ccccc1[C@H]1CCCN1Cc1nc(-c2cccnc2)no1 52211344 XXMSZCNEFSPTKA-MRXNPFEDSA-N 340.814 4.122 0 40 EIAB CCc1cccc(CC)c1NC(=O)CNCc1ccccc1Cl 58160397 PLNBAECVXXOVHO-UHFFFAOYSA-N 330.859 4.193 0 40 EIAB Cc1ccc(-n2cnnc2SCc2nc(C)c(C)o2)cc1Cl 58192718 FJKHLYMQFMMJQT-UHFFFAOYSA-N 334.832 4.126 0 40 EIAB CCCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OC 60481579 ICLQVBYDZAGCQN-WUXMJOGZSA-N 341.407 4.232 0 40 EIAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1nc2c(s1)CCCC2 69618657 SMFOWRAJCGDZRH-SECBINFHSA-N 338.835 4.305 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](c1ccccc1)C1CC1 69779631 MMZPEUFZHNMHMS-SFHVURJKSA-N 348.406 4.318 0 40 EIAB CC(C)c1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c2ccccc2n1 71796550 QYMSAJZUZDPENJ-MRXNPFEDSA-N 348.450 4.032 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)CCc2ccco2)c1 71846968 YWTAFHYIHVMNJF-UHFFFAOYSA-N 334.419 4.145 0 40 EIAB CCSCC[C@H](C)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 72305340 VSPYRXCJWRUCSS-HNNXBMFYSA-N 344.565 4.097 0 40 EIAB Cc1cc2oc(=O)cc(CN3CC[C@H](c4ccccc4)C3)c2cc1C 84128964 AQZOIWPKADJPLD-SFHVURJKSA-N 333.431 4.399 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C 84291114 ONHDZISBUHMLLJ-PKOBYXMFSA-N 337.467 4.035 0 40 EIAB CCOc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)ccc1O 85384654 BTQGDSVYXAEMHV-UHFFFAOYSA-N 349.312 4.262 0 40 EIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccccc1F 85431256 UDGWUWZSCLSDPI-UHFFFAOYSA-N 349.321 4.215 0 40 EIAB C[C@@H](NCc1cnc(C2CCC2)s1)c1cccc(-n2cccn2)c1 89905374 UHFRQVOCARRGDR-CQSZACIVSA-N 338.480 4.447 0 40 EIAB O=C(/C=C/c1ccco1)N(CCc1cccs1)Cc1ccoc1 90612287 WJSIORIKWDSYFG-AATRIKPKSA-N 327.405 4.219 0 40 EIAB FC(F)(Cl)Oc1ccc(Br)cc1Br 95215673 HQSPIWKTANYBTR-UHFFFAOYSA-N 336.357 4.380 0 40 EIAB CC(C)C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccccn1 95420487 XBCLLRVVKXUBFU-HXUWFJFHSA-N 338.499 4.344 0 40 EIAB CN(Cc1ccco1)[C@@H]1CCC12CCN(Cc1cccs1)CC2 96051546 ILZKYFXQHSASMM-GOSISDBHSA-N 330.497 4.218 0 40 EIAB COc1cccc2cc([C@@H](C)N[C@@H](C)Cc3c(C)noc3C)oc12 96493404 RMBHCHRJRQYDGM-WCQYABFASA-N 328.412 4.328 0 40 EIAB COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1Cl 96654477 NGBSBBYSGSUENB-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 97143468 ZBIZWGDBOBWZJX-GJZGRUSLSA-N 343.515 4.496 0 40 EIAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 101277093 MPEDKWNDLWTRPG-AWEZNQCLSA-N 349.217 4.046 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1C 219510390 FJRBLRDRQDIHOM-INIZCTEOSA-N 345.870 4.473 0 40 EIAB Cc1ccc(COC(=O)c2snnc2-c2ccc(F)cc2)cc1 223842675 NULAAZQXVGOECA-UHFFFAOYSA-N 328.368 4.010 0 40 EIAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccc(Cl)cc1 224160996 OBQHXUJNRRBGLQ-UHFFFAOYSA-N 345.826 4.164 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1OCC 225064216 HXHOCDUJHUCVSZ-UHFFFAOYSA-N 341.451 4.155 0 40 EIAB C[C@H](NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccccc1 225769014 GKTLFSKEWOTJFS-NSHDSACASA-N 343.839 4.350 0 40 EIAB C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 245240766 SLODIKZFXFILEX-LQYQHUGMSA-N 332.484 4.341 0 40 EIAB Cc1cc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c(C)o1 302977926 DZANGEKOCJMWAH-SFHVURJKSA-N 335.407 4.271 0 40 EIAB CCOC(=O)c1nc(Nc2cccc(C(F)(F)F)c2)sc1C 317091913 BEQFADCPYILMJK-UHFFFAOYSA-N 330.331 4.391 0 40 EIAB CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cccc(Cl)c2)C1 409412841 REVIUPJJWOONRD-APHBMKBZSA-N 336.863 4.397 0 40 EIAB Cc1nc(-c2ccc(C(=O)N3CCC[C@H]3C(F)(F)F)cc2)cs1 585127630 FZKXUOXQHURAST-AWEZNQCLSA-N 340.370 4.285 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)Nc1ccccc1 1775967117 GFYLHYJBPOPGPN-AWEZNQCLSA-N 344.461 4.332 0 40 EIAB COc1ccccc1/C=C1/N=C(c2ccc(C(C)(C)C)cc2)OC1=O 55332 FFNXZKXWPJKNMM-GHRIWEEISA-N 335.403 4.337 0 40 EIAB CC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 292803 ZQCMJLKOUUYGSA-UHFFFAOYSA-N 344.414 4.416 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1O 364409 ZYTIXPTZSAQEBZ-UHFFFAOYSA-N 326.179 4.025 0 40 EIAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c2c1C 422604 QWEFXCZNLYDPKO-GXFFZTMASA-N 349.525 4.095 0 40 EIAB CCOc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1 568401 KZNGHCXJXAIPLJ-UHFFFAOYSA-N 326.440 4.492 0 40 EIAB Cc1nc2ccccc2nc1OCC(=O)Nc1ccc2ccccc2c1 2645255 PENLYMXMVSJXMZ-UHFFFAOYSA-N 343.386 4.109 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2Br)c1C 3330416 BBGJEYUHOWOEBI-UHFFFAOYSA-N 349.228 4.157 0 40 EIAB COc1ccccc1C(=O)OCc1csc(-c2ccc(C)cc2)n1 3336124 LTKRWPNHFKWRSW-UHFFFAOYSA-N 339.416 4.484 0 40 EIAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)c1cccc(Cl)c1 3454759 ZMPQCPOFNBYKQM-VIFPVBQESA-N 334.784 4.347 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 3581328 QDVCJRBYAXFXMF-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2ccc(C)c(C)c2)c1 4120181 XQFPKSZMQRFZGJ-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB c1coc(-c2nnc3sc(Cc4cccc5ccccc45)nn23)c1 4511803 COKMAWNUQZLQMG-UHFFFAOYSA-N 332.388 4.190 0 40 EIAB CCn1c(NC(C)=O)c(-c2ccccc2Cl)c(=O)c2ccccc21 5245966 CSFHFTJVQBLDOH-UHFFFAOYSA-N 340.810 4.300 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(C(C)C)cc2)c1 5749831 AXRPTMINIVHGNY-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB O=C1CCCC[C@H]1Sc1nnc(-c2ccco2)n1-c1ccccc1 5887326 HETDPLLKMRKGKD-MRXNPFEDSA-N 339.420 4.131 0 40 EIAB CC(C)[C@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 6083553 LXFDGPTYBJLMPS-NSHDSACASA-N 338.473 4.202 0 40 EIAB COc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccccc1 6229951 WGZUSCHSYFDEEE-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)NC3=O)c1 6753313 WMCRPUMBZWTVPG-GOSISDBHSA-N 347.418 4.042 0 40 EIAB O=Cc1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12 6757580 SQTMZXSNKVQUIO-UHFFFAOYSA-N 328.371 4.246 0 40 EIAB CCc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1cccnc1)=N2 6844079 XNHKCWLADZYTMK-UHFFFAOYSA-N 340.430 4.386 0 40 EIAB Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[nH]c2c1 6908891 BYLMGVZLYNYRBM-UHFFFAOYSA-N 349.818 4.395 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F 7007631 DLOSYSWCBHGRKL-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1Cl 7242310 ACCVFYLBGOLZBZ-NSHDSACASA-N 332.806 4.407 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 7294557 UIQJWLZAOLLICG-CYBMUJFWSA-N 329.421 4.017 0 40 EIAB Cc1ccc(C)n1-c1sccc1C(=O)Oc1ccc2c(c1)OCO2 7737851 ZNYVMOCZVKHQGZ-UHFFFAOYSA-N 341.388 4.104 0 40 EIAB CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1cc(C)on1 9114767 CEXIWUGQSVJIRG-CQSZACIVSA-N 327.409 4.041 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ncc(-c2ccccc2)o1 9321383 JTIKNNQYWIRXKS-UHFFFAOYSA-N 343.180 4.356 0 40 EIAB CCc1ccc(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)cc1 9631591 IFGHIUAKOMOYJR-BUHFOSPRSA-N 345.398 4.237 0 40 EIAB S=C(Nc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 10184324 HICKZHYETAYAGG-UHFFFAOYSA-N 336.464 4.139 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)c1C 10683009 QWRYQTHFYOWNLR-QGZVFWFLSA-N 349.521 4.411 0 40 EIAB Cc1cccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11072238 NPPTWHYBXKCOAD-UHFFFAOYSA-N 346.430 4.171 0 40 EIAB CCOc1cccc2s/c(=N/C(=O)c3ccc(C)cc3)n(CC)c12 12378111 MSILZKPDJXYANW-FMQUCBEESA-N 340.448 4.171 0 40 EIAB Cc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)c1 12756416 BUYCIMMQGQALPF-GASCZTMLSA-N 343.496 4.182 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1Cl 12917682 PQDJRKFGDPFCTC-NSHDSACASA-N 344.263 4.174 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(C(F)(F)F)cc1 13200327 CNWPJPKQXNLPHC-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB C[S@](=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 14350391 YVCDEFWUTQXEGC-RUZDIDTESA-N 347.439 4.248 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1OCC 15435781 ZCOAAWBIBVMPJE-UHFFFAOYSA-N 334.803 4.175 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc2c(c1)OCO2 18183908 LNXVJKICFGAXJC-UHFFFAOYSA-N 332.359 4.038 0 40 EIAB CC(C)COc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20142072 JOUKDJMPXWEYED-UHFFFAOYSA-N 347.798 4.325 0 40 EIAB COc1c(Cl)cc(C(=O)N2CCc3sccc3C2)cc1Cl 21628393 VOYSMQJMHRDDSP-UHFFFAOYSA-N 342.247 4.262 0 40 EIAB COc1ccc(C)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 23143388 BTGNEOSKALMIBE-UHFFFAOYSA-N 337.419 4.094 0 40 EIAB Cc1sc2nc(CN(C)[C@H](C)c3cccs3)nc(N)c2c1C 23731756 BJKKDCMAWSFKNY-SNVBAGLBSA-N 332.498 4.145 0 40 EIAB CC(=O)c1ccccc1OCCn1c(C(F)(F)F)nc2ccccc21 23985533 XPHNZDFDLHUWBR-UHFFFAOYSA-N 348.324 4.337 0 40 EIAB O=C(CCSc1ccccc1)NCCOc1ccc(Cl)cc1 24650879 SLOGBJGVEZIHIK-UHFFFAOYSA-N 335.856 4.017 0 40 EIAB COc1ccc([C@H](NC(=O)c2ccc(-n3cccn3)cc2)C(C)C)cc1 24770050 ZEULAEKPXJTGQA-HXUWFJFHSA-N 349.434 4.008 0 40 EIAB C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 26245090 XNLBXRAPOJRBSQ-SNVBAGLBSA-N 344.358 4.207 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1cnn(Cc2ccccc2Cl)c1 27920828 NFQLSFIXNXWBDY-ZHACJKMWSA-N 337.810 4.237 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)cc1C 28577703 MNALIARTKSSXOJ-UHFFFAOYSA-N 346.477 4.331 0 40 EIAB Cn1ccnc1[C@H](NCc1ccc(Cl)s1)c1ccc(F)cc1 30644116 PSZFPCHGSLKGAE-OAHLLOKOSA-N 335.835 4.153 0 40 EIAB Cc1noc(C)c1COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 31448042 ORRLISOIQKERGW-UHFFFAOYSA-N 326.396 4.427 0 40 EIAB c1ccc(CSc2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1 32922502 GULNECZTYRJAFY-UHFFFAOYSA-N 336.376 4.079 0 40 EIAB Cc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c(C)c1 35622498 KDGIJNDLQFJJHF-UHFFFAOYSA-N 335.455 4.243 0 40 EIAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 36395153 AFTCZMDVYJXYRJ-BBRMVZONSA-N 348.899 4.243 0 40 EIAB Cc1ccc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)cc1 36395397 UKSMCSVURRXPSA-INIZCTEOSA-N 325.437 4.444 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12 36636350 KYWZXZDOXCUTRC-OAHLLOKOSA-N 347.480 4.192 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)cc1OC 42664174 SLDXPEKLXLQGBB-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB CCc1nc(NC(=O)Cc2csc(-c3ccccc3)n2)sc1C 44701581 JKUDSINNZHCGIH-UHFFFAOYSA-N 343.477 4.319 0 40 EIAB CC(C)CCN1C(=O)c2ccccc2[C@H](C(=O)O)C12CCCCC2 49466978 HFMXPARRMAOOEK-QGZVFWFLSA-N 329.440 4.060 0 40 EIAB Cc1cccc2c(=O)[nH]c(CN[C@H](C)c3ccc4ccccc4c3)nc12 49609460 MDPQYJCHDUETOF-OAHLLOKOSA-N 343.430 4.236 0 40 EIAB C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C\[C@H]3CCC[C@@H](C)N3C)[C@@H]12 52429252 FMPNFDSPHNUFOS-VALWZWAMSA-N 345.527 4.419 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(F)c1 57412346 YPSIUDGFZCPBMS-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCc1nnc([C@H]2Cc3ccccc3CN2c2nc3ccccc3o2)o1 58433935 IOOFNLOFBIEQAX-MRXNPFEDSA-N 346.390 4.077 0 40 EIAB CCN(C(=O)c1cc(C)on1)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 69700258 QVIGTPLEWUDIJX-FQEVSTJZSA-N 349.434 4.247 0 40 EIAB Cc1n[nH]c(C)c1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O 69841698 QIVQZCBZOYAYPL-JLHYYAGUSA-N 333.391 4.150 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 71186280 QCFAAOIKUAOOKA-JSGCOSHPSA-N 347.846 4.142 0 40 EIAB CCCCC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 71909309 GFQZJVHSKNIARQ-HSZRJFAPSA-N 329.465 4.264 0 40 EIAB O=C(c1cccn1Cc1cccs1)N1CC[C@@H](c2ccccc2)C1 84525533 DJCTUMCWEBVUOU-QGZVFWFLSA-N 336.460 4.228 0 40 EIAB Cc1nnc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)s1 97057261 RDXPDTHMXCTUOQ-SNVBAGLBSA-N 330.482 4.129 0 40 EIAB C[C@@H](c1ccccc1)N1CC(=O)N[C@@H]1c1c(Cl)cccc1Cl 98091205 SJWBYRMAJLBSCX-GTNSWQLSSA-N 335.234 4.185 0 40 EIAB O=C1N[C@@H]2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C=CC=C[C@H]2[C@@H]13 101036574 IDCLPJDWZLYUIR-GPHNJDIKSA-N 325.411 4.084 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NC12CC3CC(CC(C3)C1)C2 216398628 BNXDNQVAAWEJJP-IGDKPHCXSA-N 327.468 4.237 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccccc1Cl 220018279 ZPSHKKHHPAJODP-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223197357 OYJIXMUFSPSJTB-KGLIPLIRSA-N 343.854 4.473 0 40 EIAB CC[C@H](NC(=O)CCc1ccccc1F)c1ccc(OC)c(OC)c1 223562464 SJVUIEDMYYVRCF-KRWDZBQOSA-N 345.414 4.043 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224118504 LMAPBOAEAVYZSA-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB Cc1ccc(OCCCC(=O)NCCOc2ccc(Cl)cc2)cc1 224143016 VPIGGWNIIYGUEX-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB CCc1ccccc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225359190 ZCSDYHVRFZOKSO-UHFFFAOYSA-N 325.408 4.299 0 40 EIAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)N2CCCC2)cc1 225453198 QUQWZCPSPCQPQW-UHFFFAOYSA-N 339.464 4.040 0 40 EIAB COc1cccc(CCCNC(=S)Nc2ccc(C)cc2C)c1 225552227 BPRDWYHEDMKFCU-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)c1 225727225 FFPDOQMCVIKSGQ-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB Cc1ccc(C2(NC(=S)Nc3ncccc3C)CCCC2)cc1 225871918 BVQBWQLPGGKIBC-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1c(F)cccc1F 390830040 IJHXMDJYOADUGC-NSHDSACASA-N 330.334 4.464 0 40 EIAB Cc1csc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)n1 546752020 ONFKKRAXGRMTDX-UHFFFAOYSA-N 343.408 4.223 0 40 EIAB Cc1ncc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)o1 583650999 DXJXEXGFQVHZAL-UHFFFAOYSA-N 328.416 4.003 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)c1cccc(Br)c1 190948 AAAHVCCQJOYQGA-UHFFFAOYSA-N 337.242 4.037 0 40 EIAB COc1ccc(Nc2nc(C)nc3sc(C)c(C)c23)c(OC)c1 215536 MKTGFBRHCFSRNP-UHFFFAOYSA-N 329.425 4.377 0 40 EIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)c(C)c1 568418 UPHYEYZPWUGFRP-UHFFFAOYSA-N 347.509 4.030 0 40 EIAB Cc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c1C 2713210 RPXLGGMQDFXXTO-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCSc1ccccc1 3105120 UEHOBRAYORVEAW-UHFFFAOYSA-N 340.275 4.444 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 3237098 ZAKLNOFSEJURKD-GOSISDBHSA-N 339.435 4.287 0 40 EIAB O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(Cl)cc1 3278320 FXMLYLUFNYVZBU-MDZDMXLPSA-N 328.824 4.279 0 40 EIAB COc1cccc(CN(C)C(=O)/C=C/c2ccc(SC)cc2)c1 3446048 VXAZUEGMTYVXKB-FMIVXFBMSA-N 327.449 4.089 0 40 EIAB Cc1cccc(-c2nc(CCNC(=O)c3cccc(F)c3)cs2)c1 4570813 DRAMAHXSPCAQQY-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB CCCN(C(=O)CC(C)C)c1nnc(-c2ccc(OC)cc2)s1 4881086 PVDFEHMJNPLVQJ-UHFFFAOYSA-N 333.457 4.003 0 40 EIAB COc1ccccc1OCCCN1CCCC[C@@H]1c1cccnc1 6624649 ADUGBERARZJNJN-GOSISDBHSA-N 326.440 4.086 0 40 EIAB biogenic Cc1ccc(C)c(-c2nn(Cc3cc(C)on3)c(=O)c3ccccc23)c1 8222220 XKQGOUAWFOSXJV-UHFFFAOYSA-N 345.402 4.025 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C)on2)cc1 8723839 QSQDONPXILIXDQ-MRXNPFEDSA-N 329.400 4.141 0 40 EIAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 8782329 RJCFJYOCJCCNOV-KRWDZBQOSA-N 342.483 4.149 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1 9063031 HKXBOCCHDMHOOQ-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB O=C(Nc1nnc(CCCc2ccccc2)s1)c1ccccc1F 9227161 DYCJWHDTVNAFDD-UHFFFAOYSA-N 341.411 4.105 0 40 EIAB CCSc1nc2ccccc2c2nc(-c3ccccc3OC)nn12 9939929 CEGSBMCBBZIRPT-UHFFFAOYSA-N 336.420 4.065 0 40 EIAB CN(C)[C@@H](CNC(=O)Nc1ccccc1)c1cccc2ccccc12 10330375 HEPMHEYRJKFWNH-FQEVSTJZSA-N 333.435 4.264 0 40 EIAB CC[C@@H](NC(=O)c1c(-c2ccncc2)noc1C)c1ccc(F)cc1 12199717 BGPSTMQLZINSNE-MRXNPFEDSA-N 339.370 4.065 0 40 EIAB C[C@H]1c2ccsc2CCN1Cc1ccc(Oc2ncccn2)cc1 12241138 QVRCEZNYQUYZCZ-AWEZNQCLSA-N 337.448 4.450 0 40 EIAB CC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1 12906031 BFSIWEKXJQQHLI-UHFFFAOYSA-N 335.359 4.314 0 40 EIAB CN(Cc1ccsc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 12971649 IBRUMDBZNBVLAG-AWEZNQCLSA-N 336.457 4.266 0 40 EIAB CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCCc4ccccc43)c2C1 13363812 ZVKYXDTXVCLQCA-HNNXBMFYSA-N 338.451 4.419 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSc1ccccc1 13709680 VZBFVWQRWILHDY-CYBMUJFWSA-N 335.856 4.016 0 40 EIAB C[C@@H]1CC(C)(C)N2C(=O)/C(=C3\SC(=S)N=C3O)c3cccc1c32 13768304 FGBZFYGJDSKZGE-KXVPCBDSSA-N 344.461 4.018 0 40 EIAB S=C(Nc1ccc(Br)c(Cl)c1)NC1CCCC1 13840882 RFLQWXCEPZFBMP-UHFFFAOYSA-N 333.682 4.332 0 40 EIAB COc1ccc2nc(SCCOc3ccccc3Cl)[nH]c2c1 15042591 FIVXXCJBDPVCJR-UHFFFAOYSA-N 334.828 4.396 0 40 EIAB CCCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OCC 15636714 NVBAAGYGKMSJDW-UHFFFAOYSA-N 346.452 4.072 0 40 EIAB Cc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)c1 15831538 RGYWTEXKJPCOPQ-HXUWFJFHSA-N 328.500 4.256 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1C 18365405 IEUZRKIBOLETEK-LBPRGKRZSA-N 327.409 4.045 0 40 EIAB O=C(O)c1ccc(N2CCN=C2SCc2ccc(Cl)cc2)cc1 20366006 SIGPCEVMMBMMEN-UHFFFAOYSA-N 346.839 4.148 0 40 EIAB CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(OC)cc1 20490854 KHJOFFVTMBLWGY-GOSISDBHSA-N 329.465 4.196 0 40 EIAB COc1ccc(-n2nc(Nc3ccc(C)cc3)c3c2CCCC3=O)cc1 20796766 WWNHBHZRYUCJDR-UHFFFAOYSA-N 347.418 4.452 0 40 EIAB Cc1ccc2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc2c1 21796589 YBURSBCQCPLERO-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c1 22524119 TWHMQOGTMDLBDB-GOSISDBHSA-N 327.424 4.498 0 40 EIAB CCNc1nc(SCc2nc(C(C)(C)C)no2)nc2ccccc12 24048203 ZZGGCCBQORMGDD-UHFFFAOYSA-N 343.456 4.034 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccccc1Cl 24937716 AHNVZOORGMYSEU-CYBMUJFWSA-N 349.883 4.459 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC[C@@H](c1ccccc1)S3 27532954 AFBHSEYHUFXCHE-ZDUSSCGKSA-N 328.462 4.312 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1F)c1ccc(-n2cccc2)cc1 28221174 PGIAXCJXBJTSMB-ZDUSSCGKSA-N 326.346 4.247 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2C2CC2)o1 29757817 XSYRAGPQDWJXOH-UHFFFAOYSA-N 349.434 4.232 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)OCc1cc(-c2ccccc2)no1 29867531 SDMPYAZFEAOCQX-UHFFFAOYSA-N 332.359 4.109 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)NC2CCCCCCC2)cc1 30944119 RYJFMTIQUWURRA-UHFFFAOYSA-N 325.456 4.083 0 40 EIAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3cccs3)sc2n1 32903396 UMSVVMGJLWUWFO-UHFFFAOYSA-N 345.493 4.204 0 40 EIAB CCOc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 33191900 NGUZZPUKVLBPAD-LLVKDONJSA-N 339.844 4.056 0 40 EIAB CC(C)(C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832340 JRANSPULKLYABR-ZDUSSCGKSA-N 343.298 4.120 0 40 EIAB CCCOc1ccc(C(=O)NCCSCc2ccccc2)cc1 41008012 LRIRBUYCWDCYSX-UHFFFAOYSA-N 329.465 4.139 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCSc3ccccc32)on1 43167642 YGXOYZALZBINNP-LSDHHAIUSA-N 343.452 4.067 0 40 EIAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCCCC3)c12 46760082 GDQRTEGFEDBXGD-UHFFFAOYSA-N 327.428 4.069 0 40 EIAB CCCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 49179286 RBSGZSFLXRUMGY-KRWDZBQOSA-N 332.241 4.455 0 40 EIAB Cc1ccccc1SCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 58378337 YMUROJBCRYIPTJ-PXNSSMCTSA-N 341.476 4.124 0 40 EIAB CCC[C@H]1CCCN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)CC1 58424296 PZTNKADJDHGHSA-LBPRGKRZSA-N 345.468 4.040 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(n2cccc2)CC1 58632087 GOOLZIIBZRYPEX-UHFFFAOYSA-N 341.455 4.453 0 40 EIAB O=C(Cc1cccs1)Nc1ccc(Br)c(Cl)c1 59289526 DGWDEWAGSLAKKR-UHFFFAOYSA-N 330.634 4.345 0 40 EIAB O=C(OCc1cccc(F)c1F)c1cccn1Cc1cccs1 62584130 JPWFBKURTYXFQF-UHFFFAOYSA-N 333.359 4.233 0 40 EIAB COc1cc2c(Nc3ccc(C(=O)O)cc3)ccnc2cc1Cl 64874611 RDXWAPPYUPBSDT-UHFFFAOYSA-N 328.755 4.339 0 40 EIAB COc1ccccc1-c1c[nH]cc1C(=O)N[C@@H](C)CCc1ccco1 65620736 QLKSUPDGCHEQGT-AWEZNQCLSA-N 338.407 4.034 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 66310895 RRNREZBBGITYMO-ZWKOTPCHSA-N 346.430 4.338 0 40 EIAB CCC[C@H](c1ccccn1)N(C)C(=O)c1csc(-c2ccco2)n1 69348778 LJISIQYESOTEIF-OAHLLOKOSA-N 341.436 4.412 0 40 EIAB COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1cccs1 72405561 UXVKOELGQSUAEM-AWEZNQCLSA-N 339.420 4.125 0 40 EIAB O=C(CC/C=C/c1ccccc1)Nc1ccc2c(c1)NC(=O)CS2 78048645 PKLXDNMYIBHHAJ-XBXARRHUSA-N 338.432 4.163 0 40 EIAB C[C@H](c1ccco1)N(C(=O)c1cnc(-c2ccncc2)s1)C1CC1 95401178 KZLOZFMLPPRDQO-GFCCVEGCSA-N 339.420 4.164 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2F)[C@H](c2ccccc2)SC1 95479429 NVZOXARXYIZKDW-KRWDZBQOSA-N 339.395 4.436 0 40 EIAB COc1cc(CN(C/C=C/c2ccccc2OC)C2CC2)ccc1O 97165663 HWYBKNUWWAXZSI-FNORWQNLSA-N 339.435 4.087 0 40 EIAB FC(F)(F)c1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100869368 QOIUJFYYLWCDMR-ZDUSSCGKSA-N 348.353 4.414 0 40 EIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 102451000 PFJIIIZGBHEFKC-GMTAPVOTSA-N 337.345 4.347 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 123386126 YQMXIAABFQDHTC-VNMDENKTSA-N 334.500 4.322 0 40 EIAB Nc1nnc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)o1 216853096 XPXYSQOEKJHITC-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)o1 216893997 XDTHUXBFGIFTQR-XBXARRHUSA-N 345.761 4.194 0 40 EIAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(Br)cc1 216954253 JLIFDOURCGOESO-UHFFFAOYSA-N 342.192 4.213 0 40 EIAB CCOCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCC 224693697 OVQXBGDMLYRJDI-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CSc1cccc(NC(=O)c2snnc2-c2ccc(F)cc2)c1 225780379 SBCGTTXBAFBUCC-UHFFFAOYSA-N 345.424 4.318 0 40 EIAB CCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c2cccnc12 225902737 OZPIZDDGCVWHDJ-FQEVSTJZSA-N 342.439 4.167 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(F)cc3)oc2c1 226270964 LMIIQDGLBQGPMC-UHFFFAOYSA-N 338.260 4.159 0 40 EIAB CCc1ccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226355838 PSOIRCBQUNWZAU-UHFFFAOYSA-N 335.359 4.460 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(N)cccc1Cl 226359181 LLCXZGMTQAPPJJ-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2C)c1 408702053 AJKLYPPOWPNILI-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CC(C)c1c(NC(=O)NCC[C@@H]2CC2(F)F)cnn1-c1ccccc1 621459534 HEWFGDLVKBALPZ-CYBMUJFWSA-N 348.397 4.163 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C(C)C)cc3)oc2c1 558359 IUMLBPLRDADNJW-UHFFFAOYSA-N 337.379 4.162 0 40 EIAB O=C(c1cccc(Cl)c1)c1ccccc1I 2392536 ZRRWPZYNBSTGAM-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB O=C(c1ccc(Cl)cc1)c1cccc(CN2CCSCC2)c1 2515285 TVLRPINHYNXHMQ-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1 2655317 UQBKRZVBFJWHGZ-DJJJIMSYSA-N 342.439 4.179 0 40 EIAB FC1(F)C2CC3(Br)CC1CC(Br)(C2)C3 3123051 GTGGZCUBZDRXRB-UHFFFAOYSA-N 330.010 4.113 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)s1 3384444 CEEOVCUCXQPUHY-UHFFFAOYSA-N 331.437 4.150 0 40 EIAB CC(=O)[C@H](Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846266 MLDOKSZBQXTHTP-GEALJGNFSA-N 330.468 4.438 0 40 EIAB biogenic Cc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4072172 OPJDPTJXZURMRC-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 4974050 WXLOZQOKGCOYEN-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1cccc(Br)c1 5419841 OMTDDVRTZUTRCJ-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1 5558596 BRIOKSBDFFLUQN-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 6126305 YJKYOULSARLDOJ-UHFFFAOYSA-N 337.400 4.454 0 40 EIAB Cc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)c(O)c1 6453951 UAPGYPRLFWPUAC-UHFFFAOYSA-N 331.462 4.432 0 40 EIAB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccco1 6508254 FEXWCNXOBHMMMM-ZZXKWVIFSA-N 329.705 4.281 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 6963639 PZCPNRKJAPWKHE-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1nn(C)c(C)c1Nc1ncnc2sc(-c3ccccc3)cc12 7337626 CMOOJTXIFQXOEW-UHFFFAOYSA-N 335.436 4.452 0 40 EIAB Cc1nc2ccc(C(=O)OCc3c(F)cccc3Cl)cc2nc1C 7557401 SHYQZXRYMDTLSJ-UHFFFAOYSA-N 344.773 4.396 0 40 EIAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C=C(c1ccc(F)cc1)N2 8570197 KIIDYTCXPKLERV-KRWDZBQOSA-N 342.324 4.060 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 8943430 IKBREGNZBFOPCK-UHFFFAOYSA-N 333.265 4.064 0 40 EIAB Cc1ccc(C)c(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1 9113683 IJKQRTPBWIEMMU-UHFFFAOYSA-N 330.472 4.107 0 40 EIAB Cc1ccc(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c(C)c1 9114277 IMSPVYOIQFXFKG-UHFFFAOYSA-N 330.472 4.107 0 40 EIAB Cc1cccc(-c2nnc3sc([C@@H](C)Oc4ccccc4)nn23)c1 9227243 XPIHAKGEFYRKEH-CYBMUJFWSA-N 336.420 4.301 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1OC(F)(F)F 9499530 NLBGLZNWGGBFOC-UHFFFAOYSA-N 334.297 4.248 0 40 EIAB O=C(NC1CC1)[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 11154975 IVXHUADJXVFPDQ-MRXNPFEDSA-N 336.769 4.050 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13709686 GHDGPWONBKGKBQ-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB FC(F)(F)Oc1ccc(-c2noc(COc3ccccc3)n2)cc1 13725504 IVCDRBWRKARING-UHFFFAOYSA-N 336.269 4.214 0 40 EIAB Cc1oc2ccccc2c1CN(CCN(C)C)Cc1cccs1 19581937 GMZKBSYNGNSOMF-UHFFFAOYSA-N 328.481 4.367 0 40 EIAB CCCc1nnc(SCc2nnc(-c3ccccc3Cl)o2)o1 20033913 XUMQWMXYPAQWHJ-UHFFFAOYSA-N 336.804 4.018 0 40 EIAB COc1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1 20240081 AQPUQKIDUJJYLI-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20460663 BIKZPIBVQGIYDA-CQSZACIVSA-N 343.423 4.233 0 40 EIAB Cc1cc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c(C)c1 22886073 APEIMTRZEOIMKH-ZDUSSCGKSA-N 347.361 4.074 0 40 EIAB O=C(Nc1ccccc1NC(=O)c1ccoc1)c1ccc(Cl)cc1 24640995 CFXZVYIVLWMNDK-UHFFFAOYSA-N 340.766 4.438 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc(C)n(CC(F)(F)F)c1C 27079812 MGJUMWDIQNBRTM-UHFFFAOYSA-N 328.309 4.367 0 40 EIAB Cc1nn(C)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 28923016 ZVAFGTLKTJTLPN-IBGZPJMESA-N 349.825 4.371 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc2ccccc2n1 32817571 TVIUDUZIGVRNGB-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)on1 32932473 WKRDWRGVYONYHM-CYBMUJFWSA-N 325.195 4.267 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1ccc2ncsc2c1 33028405 QRSZVQCPVZJTLC-UHFFFAOYSA-N 335.432 4.071 0 40 EIAB Cc1ccccc1N[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 36635847 AAGGPQCNJWWWJA-CYBMUJFWSA-N 349.217 4.046 0 40 EIAB CCC(=O)Nc1ccc(C)c(NC(=O)CCc2cccc(F)c2)c1 40106899 IEUCYFJRWQZBJO-UHFFFAOYSA-N 328.387 4.054 0 40 EIAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccc(F)cc2)[nH]n1 40478357 WPVBOPVOFIPWGT-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB Cc1cc(OCC(=O)N2C[C@H](C)Oc3ccccc32)cc(C)c1Cl 41155812 DRHLZLDCMLICMA-AWEZNQCLSA-N 345.826 4.150 0 40 EIAB Brc1cc(-c2ccccc2)ccc1OC[C@H]1CCCNC1 42774747 ATPAZUVNAOIACA-AWEZNQCLSA-N 346.268 4.495 0 40 EIAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccccc2)ccc1Cl 44073768 RCRYIYNYOUGELH-NSHDSACASA-N 348.855 4.174 0 40 EIAB CN(CCCCc1ccccc1)C(=O)Nc1ccccc1-n1cccn1 48362390 ZDXYULMWEWYEGY-UHFFFAOYSA-N 348.450 4.359 0 40 EIAB O=C(NCc1ccc2ccccc2c1)c1ccc(Cn2ccnc2)cc1 60615998 XSVKAJATYDLBJM-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB c1ccc(-c2noc(NCc3cccnc3OC3CCCC3)n2)cc1 65591779 WELHCBOHDRNPSU-UHFFFAOYSA-N 336.395 4.065 0 40 EIAB CCN(C(=O)Nc1ccc(OC)c(F)c1)[C@H](C)c1cccc(O)c1 71911771 JPMPDIXOBMHRIC-GFCCVEGCSA-N 332.375 4.155 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72214990 AEMGWQQDLITIAF-INIZCTEOSA-N 333.476 4.438 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n1 72298555 ZZQKGZJAIRXDOU-OAHLLOKOSA-N 336.407 4.026 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccccc2Cl)C1 72404821 XKPMNVAEBVEZLG-CYBMUJFWSA-N 327.771 4.301 0 40 EIAB Cc1csc(C(=O)NCC[C@@H](O)c2cccc3ccccc23)c1 77116384 HVAOYJOILDPAOM-QGZVFWFLSA-N 325.433 4.063 0 40 EIAB Cc1ccc(-c2ncco2)cc1NC(=O)c1ccn(-c2ccccc2)n1 89428712 QYJDYEWJVDSSSM-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB CC(=O)c1csc(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)c1 95965449 DKXWAAIMVACZIY-INIZCTEOSA-N 337.391 4.356 0 40 EIAB CC(C)c1ocnc1C[S@@](=O)Cc1cccc(Br)c1 97047717 ZPPAXTQMFGOIKD-LJQANCHMSA-N 342.258 4.009 0 40 EIAB CC(=O)c1ccc(NC(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1C 97117534 JWCLNCOSRPJSLG-UHFFFAOYSA-N 328.416 4.153 0 40 EIAB CN(C)[C@@H](CC(=O)C[C@H](c1cccs1)N(C)C)c1cccs1 104830328 UVFYSKQUMURGMT-GASCZTMLSA-N 336.526 4.065 0 40 EIAB COc1cccc2cc(C(=O)NCc3cccc(OC(C)C)c3)oc12 113942057 WXLSXTOJPGSTHA-UHFFFAOYSA-N 339.391 4.159 0 40 EIAB CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 113953987 NAAOLZJZDLGGDQ-INIZCTEOSA-N 327.424 4.417 0 40 EIAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 223735797 GORAXSMHJJBIQN-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224425162 VBPVDTACWNWHSX-FUHWJXTLSA-N 325.452 4.299 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c(C)c1 224605505 MHDUMUYFQMLGKS-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB COc1cccc(CCCNC(=O)CCc2ccc(Cl)cc2)c1 225308347 CJNVWZKRAPNTPR-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)cc1 225308797 OJZRXOZANNVFQS-SFHVURJKSA-N 336.907 4.043 0 40 EIAB CC1(C)C[C@@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2O1 225576276 AMAGHVOFUJERIB-OAHLLOKOSA-N 330.428 4.415 0 40 EIAB Fc1cc(Br)ccc1NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 250886267 IXWVPOWWXUNOCG-RVBZMBCESA-N 343.265 4.063 0 40 EIAB O=C(c1ccc(Br)c(Cl)c1)C(F)(F)Br 307324268 JPGLXHFHXIDIDE-UHFFFAOYSA-N 348.368 4.273 0 40 EIAB CSc1cccc(C(=O)N[C@H](c2cccs2)C2CCOCC2)c1 585149423 RHEZFIXPTCCVNQ-KRWDZBQOSA-N 347.505 4.368 0 40 EIAB c1ccc(-c2cnc(Nc3cccc([C@@H]4CCCNC4)n3)s2)cc1 585263122 MQRORSLTCHQJHZ-OAHLLOKOSA-N 336.464 4.416 0 40 EIAB COc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1OC 189729 WCKOSBHBMLBGSD-UHFFFAOYSA-N 343.766 4.125 0 40 EIAB COc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 530908 HNUCDPOXNDABRN-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB O=C(COc1cccc2ccccc12)Nc1cccc2cccnc12 556626 QRFBNCDUCRSFTJ-UHFFFAOYSA-N 328.371 4.406 0 40 EIAB O=C(OCc1ccccc1CN1CCCC1)c1ccc(Cl)cc1 1716172 ROVFWEJBXNQFDJ-UHFFFAOYSA-N 329.827 4.293 0 40 EIAB COc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 2709818 UASOBPWPVHFFDY-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB Clc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 3235898 JSFATXXNPXBLCX-UHFFFAOYSA-N 344.871 4.372 0 40 EIAB O=C(COc1ccc(Oc2ccccc2)cc1)NCc1cccs1 3437306 XXUVBRDFDQHQLZ-UHFFFAOYSA-N 339.416 4.236 0 40 EIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccccc3Cl)o2)c1 4479477 GHCOGARVPNLRHU-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB CCOC(=O)c1cc(=O)c2ccc(-c3ccc(Cl)cc3)cc2[nH]1 4878269 ODYFUWKQCJZFIM-UHFFFAOYSA-N 327.767 4.025 0 40 EIAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 5137287 AWNIMBAGYWFKME-UHFFFAOYSA-N 334.872 4.312 0 40 EIAB CCn1cc(NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 5266184 DZXFKFKRSBQQJQ-UHFFFAOYSA-N 337.379 4.076 0 40 EIAB CCCCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O 6034785 NYFPKUWMLAPSEE-UHFFFAOYSA-N 343.452 4.094 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 6153136 FXIFYKABWNUGJJ-JTQLQIEISA-N 340.206 4.408 0 40 EIAB C[C@@H](Oc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 6553618 YFNQXSGHWQVTDQ-SECBINFHSA-N 335.190 4.370 0 40 EIAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1Cl 6811214 WSWMFRPDDSOWDG-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc(-c2csc(C)n2)cc1 7438271 QYBZILLYWPXXKF-UHFFFAOYSA-N 327.409 4.230 0 40 EIAB Cc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)s1 7785439 OSMNNCHXEVWCKE-UHFFFAOYSA-N 327.449 4.455 0 40 EIAB CC(C)CCSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 7997176 PTMUTEVUUJBURO-LBPRGKRZSA-N 341.477 4.280 0 40 EIAB O=C(O)c1ccc(Cl)c(NC(=O)c2cc3c(s2)CCCC3)c1 8274431 MUOAYJMNGJCZMM-UHFFFAOYSA-N 335.812 4.231 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 9978064 JCNPMHRYUZENKF-NVXWUHKLSA-N 348.450 4.213 0 40 EIAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 10542684 ILGCFQDMBQFMCZ-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB COc1ccc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)cn1 11002965 BOXOSXUWLBWWGO-UHFFFAOYSA-N 346.386 4.228 0 40 EIAB CCC(=O)c1ccc(OCc2nnc(-c3ccc(F)cc3)o2)cc1 12623077 VTUBXIHXNSOKQF-UHFFFAOYSA-N 326.327 4.047 0 40 EIAB CC(C)c1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12873407 JTDTUMBFVPETHW-NRFANRHFSA-N 336.479 4.262 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(CC)cc1)O[C@@H](C)C2 12978468 HMAJNVICOWNKQY-ZDUSSCGKSA-N 325.408 4.223 0 40 EIAB CCCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 13331558 MPCUPSRFRUWOEV-UHFFFAOYSA-N 348.899 4.316 0 40 EIAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1 13750780 DENSVQVHRLGIBZ-UHFFFAOYSA-N 340.467 4.237 0 40 EIAB CCc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 14200695 FSSQEAZECPMWRR-UHFFFAOYSA-N 343.473 4.443 0 40 EIAB COc1ccccc1OCCC(=O)Nc1c(C)cc(C)cc1Cl 14669642 YYMZJKXXTMZYSL-UHFFFAOYSA-N 333.815 4.373 0 40 EIAB O=C1C[C@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 15110006 WYDDATYYOZKJBO-CQSZACIVSA-N 339.395 4.500 0 40 EIAB CC(C)C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 16498880 RUIYLTREZKTITH-IBGZPJMESA-N 335.451 4.399 0 40 EIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccco1 17178198 WDXFGBOOVWMANA-UHFFFAOYSA-N 346.386 4.125 0 40 EIAB CCOC(=O)c1ccc(NC(=S)N(C)[C@H](C)c2cccs2)cc1 17456039 GWTXMMUPCVEGTE-GFCCVEGCSA-N 348.493 4.315 0 40 EIAB COc1ccccc1CN[C@@H](Cc1cccs1)c1nccs1 19570844 GQUSBPXQCUGEOS-HNNXBMFYSA-N 330.478 4.287 0 40 EIAB COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 19926850 JOESIOYWPVDURC-INIZCTEOSA-N 337.803 4.266 0 40 EIAB Cc1ccoc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 21669161 OEMYSGFODSQBJJ-UHFFFAOYSA-N 341.367 4.356 0 40 EIAB O=c1ccc2ccc(OCc3csc(-c4ccco4)n3)cc2o1 25434289 BKYZDOIASNNNAB-UHFFFAOYSA-N 325.345 4.089 0 40 EIAB CCCC(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623053 KBODMPAESQTWAJ-UHFFFAOYSA-N 325.343 4.281 0 40 EIAB CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 32927436 LVQZEAAPFGYURU-MRXNPFEDSA-N 347.480 4.084 0 40 EIAB O=C(O)CC/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 33670722 QVUIHLRLVUWZMV-RAXLEYEMSA-N 325.389 4.407 0 40 EIAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccsc1 36740316 XJIWOCXNRSVTTN-UHFFFAOYSA-N 341.480 4.046 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(OC(C)C)cc2)c1 40869042 OCSRLVVXROUGDB-UHFFFAOYSA-N 327.424 4.417 0 40 EIAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ccncc2)cc1Cl 42797838 RWGXJXRIHAFWII-KRWDZBQOSA-N 344.842 4.040 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2ccc(O)cc2)SC1 44894192 DMYZCXVCOLRTQZ-QGZVFWFLSA-N 337.404 4.002 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 44900739 BUNUPXODPBBSCH-OAHLLOKOSA-N 325.742 4.414 0 40 EIAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(Cl)cc1 45888981 HQIWCLVBQZVYNB-UHFFFAOYSA-N 346.843 4.104 0 40 EIAB O=C(N1CCC(Oc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 49706082 GDVCFSZQNTZDND-UHFFFAOYSA-N 339.479 4.273 0 40 EIAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(OCc2ccccn2)c1 55645326 VRRHRNTYPDYXHZ-IRXDYDNUSA-N 336.435 4.194 0 40 EIAB O=[S@](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1Cl 58131375 LYHZIZUHSUJDJA-QFIPXVFZSA-N 344.810 4.336 0 40 EIAB Cc1cccc(C)c1-n1nnnc1S[C@@H]1CCCc2ccccc21 58377201 AOWGFDNDKZNZSR-QGZVFWFLSA-N 336.464 4.449 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 58423616 BITTYKSTNRNJDG-PFXAWQMLSA-N 330.472 4.070 0 40 EIAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(SC(F)F)c1 66554677 LBCIPPUDFCGNJH-AWEZNQCLSA-N 349.358 4.242 0 40 EIAB COc1cc(NC(=O)Cc2cccc(Cl)c2)c(OC)cc1Cl 67791927 UHYHACDPUMSMTJ-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB c1ccc(-c2nc(CSc3nnc(-c4ccccc4)o3)no2)cc1 69662190 PBVMAJNZSXKGBA-UHFFFAOYSA-N 336.376 4.079 0 40 EIAB O=C(O)c1cc2ccc(Br)cc2n1Cc1ccccc1 71976877 BHVJHCQSEKAWEY-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 72306824 LKXRYZBNTPSNQQ-UHFFFAOYSA-N 334.778 4.104 0 40 EIAB O=C(O)/C=C/c1cnc(/C=C/c2cccc(Br)c2)s1 72312326 MOVPUKNRCQOHNI-YDFGWWAZSA-N 336.210 4.174 0 40 EIAB Fc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72358575 FEWNBQXSSHAZST-GOSISDBHSA-N 348.425 4.057 0 40 EIAB CC(C)(C)[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1cccs1 84169268 PYZVIXRXAGVXND-KRWDZBQOSA-N 339.464 4.451 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2nnc(C3CC3)o2)c1 86209079 DNELAVLMBKRYCP-UHFFFAOYSA-N 348.378 4.045 0 40 EIAB CN(CCCn1ccnc1)C(=O)Nc1ccccc1-c1cccs1 89346142 RUTNPJLQIPDRSB-UHFFFAOYSA-N 340.452 4.166 0 40 EIAB OC1=Nc2ncn(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)SC1 95473719 OQOFVQKACZAHPC-QGZVFWFLSA-N 337.404 4.002 0 40 EIAB Oc1nnc(-c2ccccc2)cc1Cc1cccc(OC(F)F)c1 95477356 BEKXISBSKGZURS-UHFFFAOYSA-N 328.318 4.041 0 40 EIAB CC(C)n1ccc2c(C(=O)NCc3nc4ccccc4n3C)cccc21 95478826 DPODNJGFXVHYMO-UHFFFAOYSA-N 346.434 4.039 0 40 EIAB Cc1ccc(C(=O)N2CCC(N[C@H](C)CSC(C)(C)C)CC2)cc1 95967637 ZMGDVAVTUYFAKM-MRXNPFEDSA-N 348.556 4.109 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(OC(C)C)c1 113959858 MFJPVWDSVHABCD-FQEVSTJZSA-N 341.451 4.256 0 40 EIAB O=C(Nc1ccccc1)O[C@@H]1[C@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 169297081 WALSPJVXZJWMIB-OQIJWPOYSA-N 328.456 4.278 0 40 EIAB Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 169678389 SPTDNUYDNPCVID-XPABHHOTSA-N 329.490 4.397 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc2ccccc2c1 222794961 KKGUZHVVDQDWJZ-MRXNPFEDSA-N 333.431 4.486 0 40 EIAB Cc1cc(NC(=O)C(C)(C)Br)ccc1OCC(C)C 225595458 UGQYCMRAGVWZSK-UHFFFAOYSA-N 328.250 4.142 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NC2(CC)CCCC2)c(C)c1 225864854 COVDJPUPOVIEQV-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB C[C@H](CN[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1nccs1 248742709 AIDCRVKUMDYKPU-OQIJWPOYSA-N 341.524 4.032 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCCCCC1 408700625 JCLRKKOMMCIOLT-UHFFFAOYSA-N 339.501 4.210 0 40 EIAB Cc1cccc(CN(C)C(=O)Nc2cc3c(cc2Cl)CCC3)n1 529285814 PSNSQSDGVLFHOV-UHFFFAOYSA-N 329.831 4.196 0 40 EIAB Cc1nnccc1C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 533576925 NFOBSDVWJOWNKY-KRWDZBQOSA-N 329.831 4.100 0 40 EIAB CCCOc1ccc(NC(=O)[C@@H]2CSCCS2)cc1C(C)C 1132979610 DYUNGVUMXOSHQT-INIZCTEOSA-N 339.526 4.386 0 40 EIAB O=C(c1ccccc1Cl)N1CCc2cc(Br)ccc21 32150 XFIBNULTXGHKEZ-UHFFFAOYSA-N 336.616 4.305 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1C 150374 VIEBBYAJJTUULL-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]1C2 352949 HYKBGASCLFWFJV-BDJLRTHQSA-N 325.330 4.039 0 40 EIAB CCCn1c(SCc2ccccc2F)nc(C(F)(F)F)cc1=O 1383393 FJZPSBNNVFCBLD-UHFFFAOYSA-N 346.349 4.104 0 40 EIAB CCCC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2 1440190 QFXRGRSDRPWYIR-UHFFFAOYSA-N 339.391 4.001 0 40 EIAB Cc1cc2c(=O)cc(-c3ccc(Cl)cc3)oc2c(C(=O)O)c1C 1618459 TYSPKARFBULHDA-UHFFFAOYSA-N 328.751 4.428 0 40 EIAB COc1cc2c(cc1OC)[C@H]1CC(C)=C(c3ccccc3)CN1CC2 1721514 LNSRYPKSYOWOPL-HXUWFJFHSA-N 335.447 4.480 0 40 EIAB Cc1cc(Cl)cc2sc(NC(=O)COc3ccccc3)nc12 2713984 NWDXJSVJOKVFED-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1cccc(F)c1 3192245 UGBQTVJXSXDUSX-UHFFFAOYSA-N 349.283 4.363 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(C(F)(F)F)cc1 3403644 VGMVBNXADIYTBR-GFCCVEGCSA-N 334.341 4.095 0 40 EIAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)c1cccc(Cl)c1 3504363 XKQCWDJIBINVIE-LBPRGKRZSA-N 343.839 4.284 0 40 EIAB CCCCCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1 5152246 BFQRVBASYUKYSG-UHFFFAOYSA-N 337.419 4.294 0 40 EIAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc2ccccc2c1 5256300 XNOMWFYVXAJBQN-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O 5875815 NWDNXVPTAWHZDO-HKJJFUAXSA-N 326.421 4.312 0 40 EIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Br)o1 6250564 AIZHEQQBGRHMOD-SECBINFHSA-N 338.176 4.163 0 40 EIAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ccccc2)cc1 6467805 OPCBLPNNVWVGDL-AWEZNQCLSA-N 340.423 4.205 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1c(F)cccc1Cl 8128283 GHNZZQZSJSSHAJ-GFCCVEGCSA-N 335.806 4.216 0 40 EIAB O=C(NCCc1ccc(F)cc1)c1cc(C2CC2)nc2ccccc12 8231508 PRYNULNCERDIDF-UHFFFAOYSA-N 334.394 4.224 0 40 EIAB Cc1nn(C[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 8714359 AKSBGZKYCVKEDK-SECBINFHSA-N 340.254 4.390 0 40 EIAB O=C(NC1CCCCCCC1)C1CCN(Cc2ccccc2F)CC1 9063548 UHQVXTFXVDYAGR-UHFFFAOYSA-N 346.490 4.267 0 40 EIAB CCCSc1ccccc1C(=O)Nc1ccc(C(=O)OC)cc1 9426674 BQYNBMZVLPNBFI-UHFFFAOYSA-N 329.421 4.228 0 40 EIAB COc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11071504 VAKMCUSMPDWWCE-UHFFFAOYSA-N 332.403 4.106 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1F 11373017 YFZQNAWAYRTDEY-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB COc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1 12062965 AMUCDVDFZHYVSD-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)o1 12223317 DXEPAARFVSTMPH-UHFFFAOYSA-N 332.363 4.312 0 40 EIAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)c1ccc(F)cc1 12823942 ZCUJSFIHFBQBFV-BRADTZPFSA-N 349.361 4.202 0 40 EIAB O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1C(F)(F)F 12870914 OKUUBVMODKNIHX-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB CSc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc1 12938596 OHVDRJOHVGTZHD-UHFFFAOYSA-N 338.476 4.481 0 40 EIAB Cc1cccc(CSCCNC(=O)Cc2ccc(C)c(C)c2)c1 13683179 IETAOFVTUUACFC-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB Cc1c(Cl)c(-c2cc(C)n(-c3ncn[nH]3)c2C)nc2ccccc12 15453932 PCTBZGWMKWUFJB-UHFFFAOYSA-N 337.814 4.389 0 40 EIAB CCOc1ccccc1NC(=S)NCCCOC1CCCCC1 18168153 KENXHKRBHHPESZ-UHFFFAOYSA-N 336.501 4.111 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3cc(F)ccc3F)ccc2s1 20029750 LOTIPMIXVGXZBG-UHFFFAOYSA-N 347.342 4.218 0 40 EIAB CCOc1ccccc1CNC(=O)CSCc1cc(C)cc(C)c1 20110292 JNKYGNLESQFZPN-UHFFFAOYSA-N 343.492 4.252 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCc1ccc(F)cc1 20459269 IFBVUFGNHRZUEF-MRXNPFEDSA-N 343.442 4.465 0 40 EIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(F)cc1Cl 20816985 ISEZAJUVFNXJKF-UHFFFAOYSA-N 347.798 4.341 0 40 EIAB CCCCC(=O)Nc1cc(C)c(I)c(C)c1 21596110 JDACETRXYNBQFN-UHFFFAOYSA-N 331.197 4.037 0 40 EIAB COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)Cc2ccccc2)c1 22050978 BDLHYNRDCFWMAA-IRLDBZIGSA-N 339.479 4.205 0 40 EIAB in-vitro COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1ccc(C)cc1 22912976 HZUWZYGIHQPFJK-CABCVRRESA-N 329.465 4.362 0 40 EIAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cn1 23490491 DAVHIUXDGNRWKI-UHFFFAOYSA-N 335.432 4.025 0 40 EIAB Cc1c(C(=O)NCC2(N(C)C)CCCCC2)oc2ccc(Cl)cc12 27664247 JEWBLGOARSGHBZ-UHFFFAOYSA-N 348.874 4.389 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2cc(Cl)cn2)cc1 28247516 QNQSLDGXMRUXLV-UHFFFAOYSA-N 346.217 4.360 0 40 EIAB CC(C)(C)c1nc2cc(NC(=O)Cc3ccccc3F)ccc2[nH]1 32721223 CFTKXVUEUINIOT-UHFFFAOYSA-N 325.387 4.181 0 40 EIAB Cc1cc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c(C)o1 38667159 UJOHKDZCCRMQKU-UHFFFAOYSA-N 344.411 4.132 0 40 EIAB CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38833658 ZQUAHHRAKCPHJT-GOSISDBHSA-N 340.442 4.239 0 40 EIAB CSc1ccc(Cl)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 39975682 CKDZPWFURBHNIT-VIFPVBQESA-N 337.794 4.476 0 40 EIAB COc1cc(NC(=O)N(C)Cc2ccccc2Cl)cc(OC)c1 40097737 UXSISCXBBYDQMX-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccncc2)c(Br)c1 43328475 AWENQQVUXXFWOJ-NSHDSACASA-N 334.217 4.035 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(-c2ccccc2F)s1 58086744 IPWNRONASUYGMK-CYBMUJFWSA-N 333.428 4.053 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCCc2ccccc2)c1 58969952 NLAZPDAXTRUSED-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB Cc1ccc(C)c(OCc2nnc(SCC3(O)CCCCC3)o2)c1 65169897 XWPXGDQIKKUZJO-UHFFFAOYSA-N 348.468 4.053 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)cc1C 65409620 GNDIKVBSWFSQCV-ZDUSSCGKSA-N 343.427 4.436 0 40 EIAB CC(C)n1c([C@H]2CCCN(C(=O)c3ccco3)C2)nc2ccccc21 69780524 AXVWBSOCPFMVFT-HNNXBMFYSA-N 337.423 4.230 0 40 EIAB CSc1cccc(NC(=O)N[C@@H](CCCO)c2ccccc2)c1 75145537 HTOQZZOPLHGXQD-KRWDZBQOSA-N 330.453 4.044 0 40 EIAB COc1cccc(N2C[C@H](c3nc4cc(Cl)ccc4o3)CC2=O)c1 76555364 OUALNLOECPVUEW-LLVKDONJSA-N 342.782 4.010 0 40 EIAB O=C(/C=C/c1ccc2ccccc2n1)Nc1cnc2ccccc2c1 84595073 NDPCGRVAUFKGFC-VAWYXSNFSA-N 325.371 4.435 0 40 EIAB CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 84597188 XELYCLQJAVBNSR-QGZVFWFLSA-N 341.459 4.013 0 40 EIAB CC[C@@H](C)[C@@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 84721597 NPDPGKLGWITRKF-IEBWSBKVSA-N 331.500 4.265 0 40 EIAB O=C(c1cc2c(s1)CCOC2)N(CC(F)(F)F)c1ccccc1 89841177 RIUUQVVGTNRYTL-UHFFFAOYSA-N 341.354 4.030 0 40 EIAB O=C(Cn1ncc2c1CCCC2)Nc1ccc(Oc2ccccc2)cc1 95976405 FSUGLECRTGMBIC-UHFFFAOYSA-N 347.418 4.193 0 40 EIAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)c(C)c1 96308973 LNXSGKSWDQLVHG-OAHLLOKOSA-N 342.826 4.009 0 40 EIAB Cc1c(C[S@](C)=O)cccc1NC(=O)CCc1cccc(Cl)c1 96408323 YEDWBRWGHWYESH-HSZRJFAPSA-N 349.883 4.098 0 40 EIAB O=C(CSc1ccccc1)NCCOc1cccc2ccccc12 223508307 HDINUQNMJXVJCN-UHFFFAOYSA-N 337.444 4.127 0 40 EIAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1COc2ccccc2O1 223744024 DHFZDOYJGLMCFO-HXUWFJFHSA-N 345.354 4.365 0 40 EIAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2ccccc2c1 225058418 ALDSMVWAOAZZFO-UHFFFAOYSA-N 347.386 4.333 0 40 EIAB CCCCc1ccc(C[C@@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225128887 MQLNPJOWIPTBKP-LJQANCHMSA-N 328.408 4.113 0 40 EIAB CO[C@@H](CNC(=O)c1ccccc1SC)c1ccc(Cl)s1 225701552 ZDTZWGPSXVUGIK-NSHDSACASA-N 341.885 4.241 0 40 EIAB O=C(Cn1ccc2ccccc21)NCc1ccnc(-c2ccsc2)c1 225756049 JCUHLHRATVRGMM-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB C[C@H]1CCC[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)C1 1127038194 POMCZMIVPKYVSF-RYUDHWBXSA-N 348.512 4.127 0 40 EIAB COc1cc(-c2nc3ccc(C)cn3c2NC(C)(C)C)ccc1O 411927 FHFWNQWDMYHWOG-UHFFFAOYSA-N 325.412 4.234 0 40 EIAB COc1ccc(CCNc2ncnc3c2[nH]c2ccc(C)cc23)cc1 554098 ZLZIWKAPWKXODS-UHFFFAOYSA-N 332.407 4.083 0 40 EIAB Clc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(N3CC3)n2)cc1 1667222 KIMHJPFQVQVUAM-UHFFFAOYSA-N 343.217 4.332 0 40 EIAB O=C(CNCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 2633038 WMHBCHCQKFJMIX-UHFFFAOYSA-N 348.796 4.467 0 40 EIAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 3230406 TYMJYOJIIUAOJI-UHFFFAOYSA-N 325.389 4.280 0 40 EIAB COc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c(OC)c1 3341729 QHDRYQYSFVMAOK-UHFFFAOYSA-N 341.190 4.368 0 40 EIAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1 3379207 CAGWNCLGKJMXKZ-UHFFFAOYSA-N 347.414 4.223 0 40 EIAB Cn1c(SCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 4138447 YRQSEPVCEZIQKU-UHFFFAOYSA-N 338.411 4.395 0 40 EIAB Cc1ccc(C(=O)NCCNc2nc3cc(C)c(C)cc3cc2C)cc1 4848605 INLVGDOETIFUOM-UHFFFAOYSA-N 347.462 4.310 0 40 EIAB COc1ccc(Cl)c2sc(NC(=O)c3ccc(F)cc3)nc12 5256566 AHNHZPDCRDKULW-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB Nc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6276744 BPQOZPWHBVINLR-UHFFFAOYSA-N 343.736 4.263 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c1 6426344 HOQAKNXFQVVSIK-HNNXBMFYSA-N 344.414 4.444 0 40 EIAB c1ccc(-c2cc(CSc3nnc(NC4CC4)s3)no2)cc1 7535439 QJFYNJCJSCVBBD-UHFFFAOYSA-N 330.438 4.060 0 40 EIAB CC(C)[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(F)cc1 8003819 OADWDRGVDFXMNN-SFHVURJKSA-N 336.357 4.029 0 40 EIAB COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 8209206 GPZPSXPMTBPYDJ-UHFFFAOYSA-N 336.416 4.370 0 40 EIAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1c1cccs1 8342814 CDUJGEUIJPADSR-HKMNZKMDSA-N 349.459 4.311 0 40 EIAB Cc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)c1 8612134 MRUJCXRMJYBPIL-UHFFFAOYSA-N 332.403 4.002 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCC(C)C)cc2s1 9049726 CTVHZXFNONNDDV-UHFFFAOYSA-N 341.480 4.480 0 40 EIAB CCOC(=O)c1oc2cc(NC(=O)C3CCCCC3)ccc2c1C 9659892 WLIFRTQUUIRHQG-UHFFFAOYSA-N 329.396 4.437 0 40 EIAB biogenic Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1F 11052676 ZVLCHHWEKZWNRC-ZDUSSCGKSA-N 341.382 4.150 0 40 EIAB Cc1ccc(-c2nc(N3CCCCCC3)ncc2-c2cc(C)no2)cn1 12155271 OBTKDKXMRXOFTQ-UHFFFAOYSA-N 349.438 4.191 0 40 EIAB Cc1cccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)c1 12462738 FMIONIPANVJNFX-NEFAXPCMSA-N 327.468 4.099 0 40 EIAB O=C(CSc1ccncc1)Nc1ccc2c(c1)Cc1ccccc1-2 12527142 WNMVLLSVLSKKQL-UHFFFAOYSA-N 332.428 4.384 0 40 EIAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCc1ccc(F)cc1 12537152 LPOVCQDHHLNHJM-MDZDMXLPSA-N 340.785 4.357 0 40 EIAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccccc3F)n2)C1 12791849 FVWQKFXLNFINTP-CHWSQXEVSA-N 347.459 4.012 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)c1csc(-c2ccccc2)n1 12983052 YFJBOWGMXLOHQW-ZDUSSCGKSA-N 338.432 4.310 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 15975086 OQBCRMMXJXMVLO-WDEREUQCSA-N 329.466 4.182 0 40 EIAB COCCNC(=S)Nc1ccc(Oc2ccccc2Cl)cc1 17460609 YDWAGGDIBGFXQE-UHFFFAOYSA-N 336.844 4.065 0 40 EIAB CCN(CC)[C@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1 18179946 ITWRHJPFYUJFSK-GOSISDBHSA-N 347.409 4.169 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1C 20036211 KXMSMXPLZUDRPS-QGZVFWFLSA-N 333.815 4.453 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1Cl 20042270 AEMKCCCCKOAIMS-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccnc2)on1 20137632 UYGHZDZVNJTUMP-UHFFFAOYSA-N 333.269 4.008 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)cc1 20453568 GYRSRPBPSKZLSQ-RDTXWAMCSA-N 329.465 4.443 0 40 EIAB CN(C)CCNCC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 20590018 OQOVZVDROYLCSG-IBGZPJMESA-N 334.866 4.152 0 40 EIAB O=C(O)C/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2o1 21743288 ICRKLNWOZCCQDT-XFXZXTDPSA-N 345.301 4.445 0 40 EIAB CN(CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccco1 22199009 CRKKQIHHTFMPDN-UHFFFAOYSA-N 334.419 4.407 0 40 EIAB Cc1nc(/C=C/C(=O)N2CC[C@H](C)Sc3ccccc32)cs1 23493022 ZKHUWNXXQGYDMZ-GUOLPTJISA-N 330.478 4.382 0 40 EIAB CCCCC[C@@H](C)NC(=O)c1ccccc1SCc1noc(C)n1 24431122 FPGWOBRSYBFVAD-CYBMUJFWSA-N 347.484 4.369 0 40 EIAB C=C1c2ccccc2NC(=O)N1C[C@H](c1cccs1)N1CCCC1 25057160 HWZCTTUNRVLBSU-QGZVFWFLSA-N 339.464 4.403 0 40 EIAB Cc1nccn1-c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 28306054 LNEXHNANLBWJJN-UHFFFAOYSA-N 328.322 4.103 0 40 EIAB Cn1ccnc1[C@@H](NCc1ccccc1Cl)c1ccc(F)cc1 30644307 ZKJDGWXURFSCAZ-KRWDZBQOSA-N 329.806 4.092 0 40 EIAB CC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(C)cc1 30863085 PCBFTCAWCFGWDQ-QGZVFWFLSA-N 337.872 4.219 0 40 EIAB O=c1ccc2ccc(OCc3cc(-c4cccs4)on3)cc2o1 32857641 FZKDAGSHHHXDMS-UHFFFAOYSA-N 325.345 4.089 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 38772861 YPALDAPDPSZYGR-PMACEKPBSA-N 341.451 4.429 0 40 EIAB O=C(c1csc(NCc2ccccc2Cl)n1)N1CCCCCC1 40287259 DJXWKZNUKQKUFN-UHFFFAOYSA-N 349.887 4.425 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc(Br)c(N)c2)c(C)c1 40296090 AMDQFSLRWFFARM-UHFFFAOYSA-N 333.229 4.209 0 40 EIAB CC(C)C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cccs1 56134325 IZHLEPXDJPEJRM-OAHLLOKOSA-N 340.448 4.107 0 40 EIAB COc1ccc(N(C)C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)cn1 58270230 AQEHYLJXTYOMOX-UHFFFAOYSA-N 337.423 4.146 0 40 EIAB O=C(c1[nH]c2ccccc2c1Br)N1CCCCCCC1 58367778 FMFPMCNJCPJBGT-UHFFFAOYSA-N 335.245 4.337 0 40 EIAB C[C@@H](CC[C@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 58417634 STAQJLYYZSFGBZ-GOEBONIOSA-N 336.435 4.399 0 40 EIAB O=C1C[C@@H](c2ccco2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 61719007 MFLINBFISKNCJW-NSHDSACASA-N 339.372 4.180 0 40 EIAB C[C@@H](c1cccc2ccccc12)N1CCN(Cc2cscn2)CC1 68333699 QGLHNWNOHBZDGX-INIZCTEOSA-N 337.492 4.175 0 40 EIAB O=C(C[C@H]1C=CCC1)N[C@H](c1ccncc1)c1cc2ccccc2o1 69898088 QUURXKZVUMHTCK-YCRPNKLZSA-N 332.403 4.390 0 40 EIAB Cc1ccccc1NC(=O)NCCc1nc(-c2ccccc2)oc1C 71855119 WRQVOFRWWKBDDN-UHFFFAOYSA-N 335.407 4.323 0 40 EIAB CN(C)[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 72111956 ZGMBBQLRRAZKBR-AWEZNQCLSA-N 343.780 4.469 0 40 EIAB Cc1cc2oc(C(=O)Nc3ccccc3C)cc(=O)c2cc1Cl 72238571 XUOOPZWUQWCPLN-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1ccc2c(Cl)c(C(=O)NCC[C@@H](O)c3ccco3)sc2c1 72243138 RTVDOVIWWONVSD-GFCCVEGCSA-N 349.839 4.310 0 40 EIAB Cc1cccc(CSCC(=O)N2CCCC[C@@H]2c2cccn2C)c1 76093558 CPDJALLKTWOZED-LJQANCHMSA-N 342.508 4.321 0 40 EIAB C[C@H](Nc1ncc(Cl)cc1F)c1cccc(N2CCOC2=O)c1 79297217 KKKQDLPFGLCBLU-JTQLQIEISA-N 335.766 4.004 0 40 EIAB C[C@@H](NCc1ccc([S@](C)=O)cc1)c1csc2ccccc12 85313456 GIJUIGHJKVNOFQ-MCMMXHMISA-N 329.490 4.490 0 40 EIAB c1csc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)c1 96047187 MWIFRLOTDRZZGE-UHFFFAOYSA-N 347.553 4.083 0 40 EIAB Cc1ccccc1C(=O)/N=c1/sc2c3ccccc3ccc2n1C 100842369 DPJKZZMXIYCBKG-QZQOTICOSA-N 332.428 4.443 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1C(C)C 103114756 LPLBSHKIEAEEOC-XLSPSMHOSA-N 329.484 4.438 0 40 EIAB CCOC(=O)c1cc2cc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)ccc2s1 103130317 KSFFSQCJTJBOPO-HUBLWGQQSA-N 341.432 4.229 0 40 EIAB Cc1nc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)no1 181598273 QYILMSLXJXAJFW-QGZVFWFLSA-N 327.815 4.105 0 40 EIAB Cc1ccn2c(-c3nnc(Cc4ccc(Cl)cc4)o3)c(C)nc2c1 216616070 RDVROHIAJXXBPH-UHFFFAOYSA-N 338.798 4.245 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C 222632586 HQYBIVMBQBWMSU-INIZCTEOSA-N 338.451 4.013 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccccc2)ccc1Cl 222850597 DTOOWQUTVANSKN-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Cl 223421991 UXZDZMJYNCTJOY-HNNXBMFYSA-N 345.826 4.381 0 40 EIAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 223465237 LUBXFDZWWJWUTG-GOSISDBHSA-N 327.424 4.283 0 40 EIAB CSc1cccc(C(=O)NCc2ccnc(-c3ccsc3)c2)c1 225756982 UXNUGAUQRVTOFL-UHFFFAOYSA-N 340.473 4.462 0 40 EIAB CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2cccnc12 225892119 TXDWZSBLFVQXRC-HXUWFJFHSA-N 342.439 4.167 0 40 EIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1C 225907271 PEISWEFLYLXREV-LJQANCHMSA-N 336.476 4.493 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 226301640 CVCZAYSILQJSHN-TXEJJXNPSA-N 332.831 4.300 0 40 EIAB c1ccc(CN2CC[C@@H](NCc3ccco3)[C@@H](c3ccccc3)C2)cc1 248085365 FCRZKCYWZIJWKU-DHIUTWEWSA-N 346.474 4.428 0 40 EIAB COc1cc2c(cc1NC(=O)c1cc(N)cc(N)c1)oc1ccccc12 255190782 ZJJMFWHVBFSARB-UHFFFAOYSA-N 347.374 4.011 0 40 EIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2ccccn2)o1 257264691 LVRDLDDJHGZKPX-IBGZPJMESA-N 348.402 4.377 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc(OC)c3)N21 260753020 AVGZLDJGSSZSAZ-JLSDUUJJSA-N 339.464 4.070 0 40 EIAB Cc1ccccc1CSCCNC(=O)CSCc1ccccc1 409024528 CQYIWVSUOLHVRU-UHFFFAOYSA-N 345.533 4.278 0 40 EIAB O=C(NCC[C@H](CCO)c1cccs1)c1cc2ccccc2s1 575619998 HJLRPFGIEHIGGL-CYBMUJFWSA-N 345.489 4.249 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc12 64049 ZAHIHWZVFPTGJS-RUDMXATFSA-N 340.762 4.374 0 40 EIAB c1cncc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 86980 AGMJZQSFAMHYAU-APWZRJJASA-N 333.416 4.385 0 40 EIAB O=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)C1(F)F 350844 YJYHIJKBJJDRHD-CYBMUJFWSA-N 338.151 4.172 0 40 EIAB CCc1cc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2cc1OC 490566 FZOMBVMQSCPNGZ-UHFFFAOYSA-N 348.354 4.137 0 40 EIAB biogenic CCCCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 2448080 AFKCAXMJAUWBDI-NSHDSACASA-N 329.466 4.184 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2sccc2C)cc1 3315576 DJZBELPXARBKQY-GFCCVEGCSA-N 331.437 4.366 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 3343556 LZQLSMCQWAZKCW-UHFFFAOYSA-N 346.452 4.051 0 40 EIAB Cc1ccccc1C1=N/C(=C\c2ccc(Br)s2)C(=O)O1 4471790 PSRPVJOTTOTHAO-WQLSENKSSA-N 348.221 4.164 0 40 EIAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 4814995 WBRYXGGTCDIRTB-RBUKOAKNSA-N 346.434 4.002 0 40 EIAB Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=O)CC(C)(C)C2 5324926 NHRGYYLVYRKIJT-UHFFFAOYSA-N 332.787 4.044 0 40 EIAB CCCCCCOCCOC(=O)[C@@H](C)OC(=O)OCCCCCC 5524029 JSEYJWWSVIDIDA-MRXNPFEDSA-N 346.464 4.249 0 40 EIAB CCOc1ccccc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 5559738 MRIWJELEZRAWAB-HILYYZTDSA-N 327.468 4.420 0 40 EIAB CCCCc1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1 5585056 UWZLHSUNFXBEML-CCEZHUSRSA-N 348.490 4.391 0 40 EIAB O=C(CSc1nc2ccccc2n1-c1ccccc1)c1ccc[nH]1 5623525 FYQOCCYLHAWROQ-UHFFFAOYSA-N 333.416 4.329 0 40 EIAB CCOc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1OC 5936216 WSDUSUHBYJOHCX-UHFFFAOYSA-N 339.391 4.112 0 40 EIAB Cc1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cs1 6549683 DYSLGYKHHNARHZ-UHFFFAOYSA-N 328.466 4.202 0 40 EIAB CCc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 6811272 IRNLECGIEMOSIR-UHFFFAOYSA-N 327.767 4.261 0 40 EIAB Cc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7216945 ACALLYBXNJSGRD-UHFFFAOYSA-N 344.263 4.123 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1C(C)C 7360565 GDFKYLDLBUYLJN-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB CC[C@H](C)[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 7657249 OFFYUEMCGVMBPC-KSSFIOAISA-N 325.408 4.242 0 40 EIAB COC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 8092325 UWYDHIBJQROMFU-XMHGGMMESA-N 347.370 4.246 0 40 EIAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccccc1-c1ccccc1 8719919 QTZCKFPPFKAKKL-CQSZACIVSA-N 337.448 4.206 0 40 EIAB CC(C)CC[C@]1(CCNC2CCN(C)CC2)CCO[C@@H](C(C)C)C1 8992494 UOPPJLUPPAPMDX-RTWAWAEBSA-N 338.580 4.318 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCCC2)cc1 10357774 QQGNUKMBOMCRAT-UHFFFAOYSA-N 332.806 4.327 0 40 EIAB Cc1ccc2c(CC(=O)N[C@@H](C)Cc3cccs3)c(C)[nH]c2c1C 12203928 AJVNVSQNBSVLSB-ZDUSSCGKSA-N 340.492 4.445 0 40 EIAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)cc1C 12462256 DBFLNQNOYXACHW-UHFFFAOYSA-N 326.783 4.435 0 40 EIAB biogenic,in-vitro Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1 12767080 BVAQRLZUHCALBW-GJZGRUSLSA-N 343.496 4.182 0 40 EIAB Clc1ccc(-c2nnc3sc(/C=C/c4ccco4)nn23)cc1 15083111 DFFNANACDLQOPP-BQYQJAHWSA-N 328.784 4.270 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C1(c2ccccc2)CCOCC1 16985217 RRVSPMVVJBKTBS-UHFFFAOYSA-N 329.827 4.335 0 40 EIAB COc1ccc(C)cc1CN1CCC[C@@H](c2nc(C)n3ccccc23)C1 19133427 QWPYQCXNDVLZIO-GOSISDBHSA-N 349.478 4.339 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1 20456892 YPANJTFNNFHCCK-LJQANCHMSA-N 337.394 4.453 0 40 EIAB CCN(CC)CCNCc1ccc(OCc2ccccc2Cl)cc1 22075065 OELCMOQMKOETCN-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB CC(C)Oc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 22513315 KODGNUJERPRQHV-UHFFFAOYSA-N 333.428 4.485 0 40 EIAB CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 26437522 XBOGALZWRXUYKL-ZDUSSCGKSA-N 338.432 4.235 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1 27580031 FYYPLQNMRNZDKM-UHFFFAOYSA-N 326.327 4.132 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 28199694 AXUSPFMWYLPGAG-KBPBESRZSA-N 332.444 4.152 0 40 EIAB CC[C@H](Sc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 30506361 JHVLERWICCNALK-LBPRGKRZSA-N 328.796 4.285 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2 32772202 UTRUHEFGBSVKRK-UHFFFAOYSA-N 342.464 4.410 0 40 EIAB CCn1c(C)nnc1SCc1nc(-c2cccc(C)c2)oc1C 33130644 CMYRCLAKIBNRRZ-UHFFFAOYSA-N 328.441 4.171 0 40 EIAB O=C(O)CCOc1cccc(/C=C/c2nc3ccccc3s2)c1 34214567 VARBPQGONSYEIA-CMDGGOBGSA-N 325.389 4.320 0 40 EIAB CC[C@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)NC 35458730 RNCWKUCWPBNWOH-MOHYCJJMSA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Br)cc2)c1 40868550 GRRLLCBBWSECPY-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB O=C(NCc1cccs1)N(Cc1ccsc1)CC(F)(F)F 44447761 WSEPDOKAPAGMEY-UHFFFAOYSA-N 334.388 4.084 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc2c(cc1C)OCCCO2 46077952 BXGFVLDIFBOURD-UHFFFAOYSA-N 347.798 4.071 0 40 EIAB Clc1ccc(-c2cnc(CN3CCC(c4cc[nH]n4)CC3)o2)cc1 58265348 BSZXXXVOOHPTFR-UHFFFAOYSA-N 342.830 4.098 0 40 EIAB CC(C)(NC(=O)Nc1cccc2cnccc12)c1ccc2c(c1)OCO2 58342543 VELBAQIHQQTBMV-UHFFFAOYSA-N 349.390 4.020 0 40 EIAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2ccccc2)cc1 58378146 PULOJXVAVZFVAQ-FQEVSTJZSA-N 344.414 4.479 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(F)ccc1N1CCCCC1 65500963 VKEYEVQNYBGILO-LBPRGKRZSA-N 345.418 4.163 0 40 EIAB CC(C)CNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 71279534 YLKNUFHUKRFMJE-CQSZACIVSA-N 344.282 4.277 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)ns1 72427757 FWLIMFGCQZHWRY-XCVCLJGOSA-N 343.358 4.135 0 40 EIAB CC(C)OCCN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 76093209 XAXBVADPFRALNZ-UHFFFAOYSA-N 334.460 4.063 0 40 EIAB C[C@@H](N[C@H](c1ccccc1)c1ccco1)c1ccc(-n2cncn2)cc1 95419553 VKEZCWVNJAYVBW-IIBYNOLFSA-N 344.418 4.301 0 40 EIAB Cc1ccc2cccc(C(=O)N3CCC[C@@H](O)c4ccccc43)c2n1 96012150 PODHTISOUURFOA-LJQANCHMSA-N 332.403 4.017 0 40 EIAB C[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H]1C[C@H]2CC[C@H]1C2 104735543 GVRYMCWOINWJNV-VPCSNGCSSA-N 345.442 4.453 0 40 EIAB C[C@H](Nc1ncncc1-c1nc(-c2ccsc2)no1)c1ccccc1 225579624 LQRASQLSCRKGQW-LBPRGKRZSA-N 349.419 4.428 0 40 EIAB Fc1ccccc1NC(=S)NCCCSCc1ccccc1 225597165 ZWUGZIPRYCGPBT-UHFFFAOYSA-N 334.485 4.436 0 40 EIAB S=C(Nc1cccnc1)NC1(c2ccccc2Cl)CCCC1 225873901 NVPLDXOLMKRHHM-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226311374 HDLUORMMMJWYQP-UHFFFAOYSA-N 347.827 4.183 0 40 EIAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 240886192 INQIVRNLMDHJOU-PZJWPPBQSA-N 349.434 4.117 0 40 EIAB O[C@@H]1CCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 248004269 SETGIDMDBVUFBQ-CBPXPLCBSA-N 339.454 4.345 0 40 EIAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc[nH]c3C3CC3)cc2)n1 252480281 BZHHRIQDLCQTAZ-OAHLLOKOSA-N 348.450 4.186 0 40 EIAB CC[C@@H](C(=O)NC[C@@H](OC)c1cc2ccccc2o1)c1ccccc1 253471953 GSMVVIURQNOOSA-YLJYHZDGSA-N 337.419 4.430 0 40 EIAB CCOP(=O)(OCC)C(F)(F)[C@H](CN)c1ccc(Cl)cc1 306145921 VYOJJPMHKHXEBL-GFCCVEGCSA-N 341.722 4.241 0 40 EIAB CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 498051274 FRSZKQRYCQUFHM-ZDUSSCGKSA-N 331.334 4.014 0 40 EIAB C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc2c(c1)CCOC2 598228584 XCOIBWGGDPYHCK-HNNXBMFYSA-N 341.476 4.267 0 40 EIAB CN(C)C1CCC2(CC1)CN(C1CCCCC1)Cc1ccccc1O2 1615152034 AJRJBYOWTGGFTI-UHFFFAOYSA-N 342.527 4.457 0 40 EIAB CC1(CC(F)(F)F)CN(C(=O)Nc2cccnc2-c2ccco2)C1 1615627642 RTGMVMYIKKGWRK-UHFFFAOYSA-N 339.317 4.148 0 40 EIAB O=C(Nc1ccc(OC(F)F)cc1F)N[C@H]1CCC12CCCC2 1616035389 WVCAPYHHXAWIBE-ZDUSSCGKSA-N 328.334 4.271 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)cc1C)NCC2 34546 XCIQZOZFZZVHLG-NRFANRHFSA-N 325.452 4.336 0 40 EIAB CCN1C(=O)c2cccc3c(NC(=O)c4cccc(F)c4)ccc1c23 180500 CKFIHBKZXTYDPD-UHFFFAOYSA-N 334.350 4.211 0 40 EIAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)NCC(C)C)n1 2224440 DTPVJPZNWHJIGK-UHFFFAOYSA-N 335.407 4.098 0 40 EIAB CC(C)NC[C@H](COc1cccc2ccccc12)OC(=O)C(C)(C)C 3118617 SLLKYDIVPRYTBW-QGZVFWFLSA-N 343.467 4.175 0 40 EIAB O=C(c1ccc(F)cc1)[C@H](O)Nc1cc(C(F)(F)F)ccc1Cl 3212857 GEOAWIDMZMOWMO-AWEZNQCLSA-N 347.695 4.111 0 40 EIAB CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 3831004 MXYUKLILVYORSK-NJYVYQBISA-N 337.463 4.236 0 40 EIAB biogenic,world Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccs2)cc1 4854554 BTSXBDYULTXUBZ-SFHVURJKSA-N 337.448 4.495 0 40 EIAB COc1cc(OC)cc(OCC(=O)Nc2c(C)cccc2C(C)C)c1 5497198 COLNKUDYXGLXKO-UHFFFAOYSA-N 343.423 4.153 0 40 EIAB O=C(c1cccnc1)n1cnc(-c2ccccc2)c1-c1ccccc1 5532036 ZQCVFOBYVDZBEQ-UHFFFAOYSA-N 325.371 4.301 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)cc1 6441597 BDIFQEOXONLMBP-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6960435 SNRXUMQDFGYXDI-KSMMKXTCSA-N 349.386 4.218 0 40 EIAB Cc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4[nH]3)nc2n1 8394111 HBCLCXLDKDCTDR-UHFFFAOYSA-N 343.843 4.168 0 40 EIAB Cc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C)cc1 8395437 TXQIJQLYURNIGO-UHFFFAOYSA-N 336.420 4.224 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCC2)cc1 10334826 IRAANZTZJRKMEK-UHFFFAOYSA-N 328.843 4.497 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc12 11237676 VCNBFHQVSLKZDR-MRXNPFEDSA-N 341.480 4.460 0 40 EIAB C[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 12797357 BSDOLIFWSADWTP-CYBMUJFWSA-N 343.398 4.307 0 40 EIAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3)n2)cc1 12857935 LEMLDEDNXKHBEG-UHFFFAOYSA-N 349.434 4.109 0 40 EIAB CCc1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 12975501 UCAZCQBVMJXYFW-FQEVSTJZSA-N 334.419 4.152 0 40 EIAB CSc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)O 12983532 CEMIGTYBAGKRDF-LLVKDONJSA-N 347.461 4.226 0 40 EIAB CCn1c(CNC2(c3ccccc3F)CCCC2)cnc1SC 13998301 CTGGQSMZGABBKR-UHFFFAOYSA-N 333.476 4.323 0 40 EIAB Cc1cc(-c2cc(C(=O)NC3CCCC3)c3c(C)noc3n2)c(C)o1 14267144 IPEMVIGVFSDTGD-UHFFFAOYSA-N 339.395 4.080 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccc(F)cc1 14899855 RIBAAOVMWBKFPW-ZDUSSCGKSA-N 338.382 4.209 0 40 EIAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc(SC(F)F)cc1 16018875 JZUWCXTXZAHOAC-CMDGGOBGSA-N 337.395 4.004 0 40 EIAB COc1ccccc1CCC(=O)Nc1nc(-c2ccccc2)cs1 16026376 CHDZPMWHFJUNMR-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB CCCCOc1cccc(C(=O)Nc2c(C)ccc3nsnc23)c1 16639355 DFUDEZLYMBVFAP-UHFFFAOYSA-N 341.436 4.431 0 40 EIAB COCCCn1c(N)c(-c2nc3ccccc3s2)sc1=S 16750150 PNFODLYWBCMNPQ-UHFFFAOYSA-N 337.495 4.174 0 40 EIAB CC(C)(C)c1n[nH]cc1CN(CCc1ccccc1)Cc1ccncc1 19083472 SXRXUVGATXDZDM-UHFFFAOYSA-N 348.494 4.347 0 40 EIAB CCCc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19525795 GPFKFJRURVSOHE-MXNKGDRCSA-N 335.495 4.491 0 40 EIAB Cc1c(-c2ccccc2)nn2c(O)cc(CSc3ccccn3)nc12 19557516 KNVKOZOERWQINO-UHFFFAOYSA-N 348.431 4.098 0 40 EIAB CCc1noc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 22751087 BDCCNDPVXFJWER-UHFFFAOYSA-N 344.440 4.272 0 40 EIAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1cccc(Cl)c1 22781617 RJORDFZYVWBMQC-GFCCVEGCSA-N 335.831 4.217 0 40 EIAB Cc1cc2c(cc1F)Sc1ccccc1C[C@@H]2N1CCN(C)CC1 22865721 WDCMRUBHRJXTRJ-SFHVURJKSA-N 342.483 4.130 0 40 EIAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccn1)c1ccccc1 23058423 RITBRYVTIQYLMQ-OAQYLSRUSA-N 341.414 4.277 0 40 EIAB COc1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 23233179 WNJHRPHULYGQIO-UHFFFAOYSA-N 345.487 4.006 0 40 EIAB Cc1cc2cc(NC(=O)c3cccc(NC(=O)[C@@H]4C[C@@H]4C)c3)ccc2[nH]1 25129500 YJZQDEQZESLUFT-KPZWWZAWSA-N 347.418 4.323 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CCC(=O)N1CCc2ccccc21 26925079 IMAQKGOLDAOMPC-INIZCTEOSA-N 348.446 4.405 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1cccs1)c1ccccc1Cl 27578783 JEIIFRYYKOCOBQ-HNNXBMFYSA-N 336.888 4.214 0 40 EIAB COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2ccsc2)cc1 35325483 XLOUBGPMIJYYDY-ZDUSSCGKSA-N 342.445 4.354 0 40 EIAB CCCc1c(C(=O)Nc2ccc3ccccc3n2)[nH]c(C)c1C(C)=O 48226718 VHNLUSDJXXLZBM-UHFFFAOYSA-N 335.407 4.279 0 40 EIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1C 54702616 NHELDOBNLGRAMS-FQEVSTJZSA-N 345.402 4.170 0 40 EIAB CCC(C)(C)NC(=O)c1ccc(NCc2cc(C)on2)cc1Cl 55879394 YKCZZOUTICWEQM-UHFFFAOYSA-N 335.835 4.167 0 40 EIAB CCn1c2ccccc2c2cc(/C=C/C(=O)NC[C@@H]3CCCO3)ccc21 58358074 LKLSYRSYRZLINM-JICACKBISA-N 348.446 4.123 0 40 EIAB CO[C@@H](CNCc1cn(-c2ccccc2)nc1C(C)C)c1ccccc1 60528554 NSLQESVKPRZTRQ-NRFANRHFSA-N 349.478 4.473 0 40 EIAB Cc1ccc(CSc2nc3ccsc3c(=O)n2C2CC2)cc1 67259742 CBCWPHTVEGMIPZ-UHFFFAOYSA-N 328.462 4.394 0 40 EIAB c1ccc2c(c1)CSC(SCc1noc(-c3ccoc3)n1)=N2 69538941 XJDUFVYFFSNASP-UHFFFAOYSA-N 329.406 4.497 0 40 EIAB COc1cccc2c1ccn2CCC(=O)Nc1cccc2[nH]ccc12 70666414 GNMFRXLJWPSVFP-UHFFFAOYSA-N 333.391 4.160 0 40 EIAB biogenic Fc1cc2c(c(CN3CC[C@@H]3c3ccc(Cl)cc3)c1)OCOC2 81605274 INBLKTWFBBIUSD-QGZVFWFLSA-N 333.790 4.293 0 40 EIAB Cc1ccc(NC(=O)NCc2nnc(-c3ccccc3)s2)c(C)c1 84133450 DXOAIFUXXNJYEE-UHFFFAOYSA-N 338.436 4.144 0 40 EIAB Cc1nc2ccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)cc2o1 84290309 QSMUNRFOMHVXKE-UHFFFAOYSA-N 340.766 4.204 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F 89526296 KTUCSNNFQHCQEB-AAEUAGOBSA-N 345.418 4.427 0 40 EIAB CC(=O)Nc1cc(NCc2nc3ccccc3n2C(C)C)ccc1F 95444832 DMAQXRABNAOAKJ-UHFFFAOYSA-N 340.402 4.327 0 40 EIAB C[C@H](N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccc(F)cc1 96286472 JJNXXPMAFUVGRU-ZDUSSCGKSA-N 335.382 4.160 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1ccc(Cl)cc1Cl)OC2=O 100261215 MTEKMBMHBCVBJU-HZPDHXFCSA-N 343.206 4.021 0 40 EIAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]([C@@H]3CO3)C[C@@]1(Cl)C2(Cl)Cl 100353238 ADYBGWQSWJHWDU-VRKNYLKOSA-N 342.864 4.237 0 40 EIAB Cc1cc2oc(=O)cc(CN[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C 103414894 SVPQALSVIUZZSG-NBOOPKSLSA-N 325.452 4.324 0 40 EIAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CC=CC[C@@H]12 103734875 CHFLANURWLKBDG-OSTYVCCYSA-N 344.065 4.230 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 108960268 DWXMVMPBFRTSFY-MPPDQPJWSA-N 340.236 4.143 0 40 EIAB O=C1N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 111381434 FQYAJBUTWHRDON-RIYZIHGNSA-N 333.174 4.091 0 40 EIAB Cc1ccc(N2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 219859915 CIHHMMMXUKSQNP-UHFFFAOYSA-N 334.463 4.191 0 40 EIAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 219863439 VDABACYOGPAQHZ-INIZCTEOSA-N 340.442 4.228 0 40 EIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 222907412 VOONRDYZKQSWIK-QZTJIDSGSA-N 342.512 4.093 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc2c(c1)CCC2 223209292 ABPIZLVXJYKDCR-UONOGXRCSA-N 343.854 4.473 0 40 EIAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Cl)cn1 223908552 NMVQPODKUAXVGJ-UHFFFAOYSA-N 343.839 4.482 0 40 EIAB COc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224897446 REUUXGYBANPNIM-UHFFFAOYSA-N 326.274 4.238 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC1=CCCCC1 225113599 RUYABUWAUQIVIK-INIZCTEOSA-N 327.468 4.339 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1 225309059 LOPBARZDUNONBG-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB Fc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)c(F)c1 225857363 NDKAYNJBGXAZEP-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB Fc1ccc(C2(CN[C@@H]3CCCC34CCOCC4)CC2)c(Cl)c1 502393264 PJQTVMOVSBPRDL-QGZVFWFLSA-N 337.866 4.450 0 40 EIAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)c(C)o1 585148264 UYPZKULSRMNUEL-CYBMUJFWSA-N 347.461 4.150 0 40 EIAB CSCc1cccnc1C(=O)N1[C@@H](C)[C@H](CC(F)(F)F)C[C@H]1C 602421364 KTEMUISDVGZOHI-MDZLAQPJSA-N 346.418 4.136 0 40 EIAB Cn1ncc(C2CCC2)c1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 614308631 MOFFXXAGFDWHMO-KOMQPUFPSA-N 343.858 4.017 0 40 EIAB O=C(NCC1(c2ccsc2)CC1)c1ccc(OC(F)(F)F)cc1 1889006668 BDJCJQPHFVJMOP-UHFFFAOYSA-N 341.354 4.108 0 40 EIAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)N1CCCCC1 420922 BUOVESQRDLOIJP-UHFFFAOYSA-N 328.481 4.265 0 40 EIAB COc1ccc(CSc2nc(N)c3c4c(sc3n2)CCC4)cc1 499806 HGAUYICAPVZCHR-UHFFFAOYSA-N 343.477 4.063 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)cc1 2622934 YPKPBWWSNROXKL-CQSZACIVSA-N 329.469 4.084 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1OC 2663363 XUOVADCRSSFXGH-WEVVVXLNSA-N 347.361 4.414 0 40 EIAB COc1ccc(OC)c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 3396332 VMTFQULQJPSLRT-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 3419747 SQFSEQVNCZMFRN-LLVKDONJSA-N 341.304 4.101 0 40 EIAB Cc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)s1 3511026 OQVHLHXGRTTYLG-UHFFFAOYSA-N 340.400 4.009 0 40 EIAB CCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)s1 3544085 VHADLVJROYFORK-SNVBAGLBSA-N 339.511 4.078 0 40 EIAB COc1ccc(CCSc2nnc3sc4ccccc4n23)cc1 3545574 PVDGOYZWMYWXSF-UHFFFAOYSA-N 341.461 4.287 0 40 EIAB CCN(CC)C(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 6139147 YENATAIVEZCFCV-UHFFFAOYSA-N 347.842 4.410 0 40 EIAB CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2ccccc21 6648174 VWSQRUYGMQXJDH-QLFBSQMISA-N 345.512 4.089 0 40 EIAB O=C(c1cnc2ccccc2n1)N(Cc1ccco1)Cc1cccs1 6651391 REWWIJYXYSUVDJ-UHFFFAOYSA-N 349.415 4.127 0 40 EIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Cl)c1 6938817 LFSSKZZSSJEZFQ-UHFFFAOYSA-N 334.891 4.259 0 40 EIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2ccccc2c1 7830928 NKORCWUORBVHTI-UHFFFAOYSA-N 341.414 4.298 0 40 EIAB COc1cccc(CCC(=O)Nc2ccc(Cl)cc2F)c1OC 8277289 PETOFVDWOWXORK-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1 8494622 DBDXXBLIBZCGNZ-IBGZPJMESA-N 343.492 4.202 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(C)=O)c1 8496021 BVEZWYMIJPCJPP-KRWDZBQOSA-N 331.799 4.339 0 40 EIAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc2ncsc2c1 8940278 JYAREKFHZOCXQE-UHFFFAOYSA-N 337.809 4.051 0 40 EIAB CCC(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164713 OVKGQZWXZFUKNC-UHFFFAOYSA-N 330.472 4.387 0 40 EIAB O=c1oc(-c2ccc(F)cc2F)nc2cc(C(F)(F)F)ccc12 12619787 SXMUMQRVPZEJAZ-UHFFFAOYSA-N 327.208 4.152 0 40 EIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(F)c(F)c1)N3 12641085 AJYBHKUJJANFNK-HNNXBMFYSA-N 345.374 4.045 0 40 EIAB Cc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(C)c1 12892579 KBYKNKHESUWQSV-SFHVURJKSA-N 325.408 4.114 0 40 EIAB O=C(O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 13094679 SHHPGWRDHYEURH-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB CC[C@H]1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C 13123077 UWOGKYPYXMSAKD-QGZVFWFLSA-N 344.418 4.419 0 40 EIAB Cc1cc(CS[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)on1 14196957 AONSYUWWWJKRKF-VIFPVBQESA-N 328.796 4.036 0 40 EIAB CCc1ccc(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)cc1 16742361 CXWGRHJCLPPORD-UHFFFAOYSA-N 347.509 4.085 0 40 EIAB COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(O)c2O3)cc1 20132930 PWOPARZECZIJII-UHFFFAOYSA-N 338.388 4.217 0 40 EIAB Cc1ccc(CN(C)C(=O)c2sc(-c3ccccc3)nc2C)o1 21913090 BXJJNGJPPGJURE-UHFFFAOYSA-N 326.421 4.292 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)NC[C@H](C)c1ccccc1 22018161 NOCJMNFPWUQURV-UONOGXRCSA-N 340.448 4.228 0 40 EIAB O=S(=O)(c1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 24573032 UCQFJNCADXXMKK-NRFANRHFSA-N 349.455 4.023 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Cl 27992561 GZVDCOJDACTOPE-UHFFFAOYSA-N 342.851 4.436 0 40 EIAB O=S(=O)(Nc1cccc2cnccc12)c1ccc2ccccc2c1 28248483 DWRHVJQYMHDLGK-UHFFFAOYSA-N 334.400 4.189 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 30850248 LHSCGHNCXHNQGF-UHFFFAOYSA-N 338.632 4.375 0 40 EIAB Cc1cc(=O)n(Cc2ccc(Br)cc2)c2ccccc12 32530307 OZRPGKJDDQWYHQ-UHFFFAOYSA-N 328.209 4.121 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)cc2C)c(OC)c1 32820700 IVALCJLQNGVQGS-LJQANCHMSA-N 339.435 4.298 0 40 EIAB C/C=C/c1cc(C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 32841383 PHCOKXGBAZBHQI-GPAKFWEMSA-N 337.419 4.328 0 40 EIAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@H]1c1ccsc1)C2 40107781 AWCUMYVCIDUQKQ-RDJZCZTQSA-N 329.490 4.437 0 40 EIAB CC(C)N(Cc1cnn(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 40157041 TYJAXDWEGIJQDF-UHFFFAOYSA-N 341.499 4.087 0 40 EIAB COc1c(Br)cc(C(C)(OC)OC)cc1C(C)(C)C 45329523 MBJORHGWENGNAR-UHFFFAOYSA-N 331.250 4.221 0 40 EIAB CCSc1ccccc1NC(=O)NC[C@@H](C1CCCCC1)N(C)C 58086297 HXRBXRQFAHKCOM-KRWDZBQOSA-N 349.544 4.431 0 40 EIAB Cc1cnn(CC2CC2)c1NC(=O)c1cc(F)c(Cl)cc1Cl 58329352 KGQBVTOIJSZNLQ-UHFFFAOYSA-N 342.201 4.300 0 40 EIAB Cn1ccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)n1 58377733 CCSCICGRTVSJGQ-UHFFFAOYSA-N 347.846 4.139 0 40 EIAB CCc1noc(C)c1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 69415261 OWRSFMGBJOUDJJ-UHFFFAOYSA-N 337.423 4.047 0 40 EIAB FC(F)(F)c1cccc(C2(c3nc(C4CC4)no3)CCOCC2)c1 69878112 NJDGRBVZFXISCX-UHFFFAOYSA-N 338.329 4.062 0 40 EIAB CC(C)Sc1ccc([C@@H](C)NC(=O)N(C)Cc2ccncc2)cc1 71803463 QSZYYSUPAFRUPV-OAHLLOKOSA-N 343.496 4.485 0 40 EIAB O=C(CCc1ccc2ccccc2c1)N1CCO[C@@H](c2ccccc2)C1 71817139 AMFDIJVKTTYNFK-JOCHJYFZSA-N 345.442 4.373 0 40 EIAB CC(C)=CCSc1ccccc1C(=O)NCc1c(C)noc1C 71921734 HDEWEYNBIZYTAV-UHFFFAOYSA-N 330.453 4.280 0 40 EIAB Fc1ccc(-c2nccnc2[C@@H]2CCCN(C3CCCC3)C2)cc1 72358318 DTGFISGOKOXIKG-MRXNPFEDSA-N 325.431 4.405 0 40 EIAB C[C@@H](NC(=O)CN(C#N)c1ccccc1)c1ccc2ccccc2c1 79055883 HKPBJICDEDFBJW-MRXNPFEDSA-N 329.403 4.005 0 40 EIAB CN(Cc1ccncc1)c1nc(-c2ccsc2)nc2ccccc12 83865663 JJZZASCQBXJOLH-UHFFFAOYSA-N 332.432 4.390 0 40 EIAB Cc1nnc2ccc(N[C@@H](CC(C)(C)C)c3ccc(F)cc3)nn12 84297137 GAUZCJAEXDEGPK-HNNXBMFYSA-N 327.407 4.161 0 40 EIAB CC[C@H](C(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1ccccc1 85471083 CIFIUKWHRADVGO-BDTNDASRSA-N 348.490 4.056 0 40 EIAB COC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccccc2F)c1 89401200 SQDFUGCOCUBBBA-UHFFFAOYSA-N 340.358 4.006 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C 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Cc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 430362 PXMYMSKBGFJVEF-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@]1(C)C(=O)C2 1056927 MUGZYQVSRITIFW-DLBZAZTESA-N 339.357 4.429 0 40 EIAB O=CN[C@@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 1580204 LJZMOJOZQPTPTJ-QFIPXVFZSA-N 331.415 4.295 0 40 EIAB COc1ccc(Nc2nc(N3CCCCC3)c3ccccc3n2)cc1 2633445 YJXVBAMNAUTWBU-UHFFFAOYSA-N 334.423 4.372 0 40 EIAB CCOc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1 3482980 ZTUPGMMDUBOUKV-CSKARUKUSA-N 336.185 4.093 0 40 EIAB CC(C)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1 4348703 UQMQAVHHHZTEON-UHFFFAOYSA-N 326.421 4.437 0 40 EIAB NC(=O)c1ccc(OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 6290113 MYOQHOOUNIXRHA-UHFFFAOYSA-N 337.419 4.095 0 40 EIAB Clc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccccc1)=N2 6534149 MSESIGLJJXHOAM-UHFFFAOYSA-N 332.794 4.169 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1cc(Cl)nc(Cl)c1 6649167 JHBUFSBYTPEHIR-NSHDSACASA-N 339.247 4.355 0 40 EIAB CCCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1OCC 6891113 KPMIPPJMSGYWDR-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB O=C(CCSc1ccccc1)Nc1ccc(N2CCCC2)cc1 10429754 WDCOSIGALACJSB-UHFFFAOYSA-N 326.465 4.408 0 40 EIAB Cc1ccc(-c2nnc(SCCOc3ccccc3C)n2C)cc1 11152929 ARUJADFCQADZMV-UHFFFAOYSA-N 339.464 4.270 0 40 EIAB COc1cccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)c1 11555874 NDIBVOFUWCAROX-UHFFFAOYSA-N 325.412 4.330 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 13011171 YZZDDKOIMRIFCI-AWEZNQCLSA-N 343.279 4.088 0 40 EIAB CN(Cc1ccccc1)C(=O)c1ccc2nc(-n3cccc3)sc2c1 13722025 UVVMYJNUGDVINN-UHFFFAOYSA-N 347.443 4.359 0 40 EIAB Cc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 14094304 XRYSXBQXZSKDJY-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 16846527 YOPUTAGJOPQBRR-UHFFFAOYSA-N 327.478 4.445 0 40 EIAB Cc1cc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2ccccc12 17967509 JDSBVMJNOQQRCC-OKILXGFUSA-N 328.481 4.140 0 40 EIAB O=C(CCc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 18114906 PIEFBWOBWJWSDV-UHFFFAOYSA-N 327.277 4.296 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(OC(C)C)c1 20041773 BGEBUKOAKGKGRK-GOSISDBHSA-N 331.387 4.409 0 40 EIAB O=C(Cc1csc(-c2ccccc2)n1)NCC1(c2ccccc2)CC1 21523621 XCZRWVKCBIQZBZ-UHFFFAOYSA-N 348.471 4.201 0 40 EIAB Cc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 22504255 GQERDOBMSPZSRI-UHFFFAOYSA-N 349.434 4.328 0 40 EIAB c1ccc(CN2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 25329121 MXJXDBQPBACLHB-UHFFFAOYSA-N 327.431 4.049 0 40 EIAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1c[nH]c2ccccc12)CC3 25543293 ZZAFMMXUBQBOGF-UHFFFAOYSA-N 343.430 4.085 0 40 EIAB COc1ccc(-c2c[n+](-c3ccc(C)cc3)c3n2CCCS3)cc1 27788711 BJKLUNFMCVSYAG-UHFFFAOYSA-N 337.468 4.245 0 40 EIAB CSCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1 29917342 ZHSUYBGESJDZBZ-SNVBAGLBSA-N 347.465 4.086 0 40 EIAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)cc1F 40024118 ILFXLDAUTGKUGJ-SNVBAGLBSA-N 347.390 4.135 0 40 EIAB COc1cc(C(=O)N2CCCc3ccc(F)cc32)cc(Cl)c1OC 40117228 NJHZIDNLRRXZSB-UHFFFAOYSA-N 349.789 4.089 0 40 EIAB CN(CC1CCCCC1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 44101894 NCKAVRHJHPFOGU-UHFFFAOYSA-N 329.444 4.079 0 40 EIAB 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CCOc1ccccc1C(=O)NCCc1ccc(-c2ccoc2)s1 390828145 ACYUTOZMGHQMMG-UHFFFAOYSA-N 341.432 4.379 0 40 EIAB CC(C)c1ccccc1C(=O)[C@H](Br)CBr 394502230 BTRRAMQVOOIBSN-LLVKDONJSA-N 334.051 4.151 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccccc1Cl 1775968754 UPVUAPIJOVFGGK-ZDUSSCGKSA-N 347.823 4.125 0 40 EIAB CSc1cccc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)c1 1888910710 XANRKUQEQOMITO-UHFFFAOYSA-N 340.452 4.001 0 40 EIAB COc1cc(C=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 162718 QWAUGMRTTSKXCG-UHFFFAOYSA-N 325.147 4.034 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 249173 MCKQUPAZZDMUBK-UHFFFAOYSA-N 335.407 4.088 0 40 EIAB Clc1ccccc1Cc1nn2c(Cc3ccccc3)nnc2s1 385282 DDGVVTVREVKEHZ-UHFFFAOYSA-N 340.839 4.021 0 40 EIAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NC(C)(C)C 412239 VLCRYWGOPHTFIY-UHFFFAOYSA-N 330.497 4.421 0 40 EIAB Cc1ccc(NC(=O)c2ccco2)c(NC(=O)/C=C/c2ccccc2)c1 470961 WFYLVYPGNRXZIM-ZRDIBKRKSA-N 346.386 4.492 0 40 EIAB CCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)cc2oc1=O 488590 NLOYUWUAIVLYRX-AWEZNQCLSA-N 336.387 4.314 0 40 EIAB biogenic COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c(OC)c1 818053 NESATCCBXNTDCE-NRFANRHFSA-N 349.434 4.465 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 2743473 CTQLVQNYETUSGU-UHFFFAOYSA-N 334.366 4.387 0 40 EIAB CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3215406 WZGKNCBGVAVRPJ-UHFFFAOYSA-N 337.398 4.160 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)n1 3236198 SWQKRGPTCSBVMY-OAQYLSRUSA-N 345.446 4.297 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 3608627 FUXMHOICMJTYDF-UHFFFAOYSA-N 333.387 4.450 0 40 EIAB Cc1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ncccn12 4033215 MCNNOUSVRQLKFG-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB Brc1cccc(CSc2nncn2-c2ccccc2)c1 4835259 SHPPMVJGASZSAN-UHFFFAOYSA-N 346.253 4.322 0 40 EIAB CCC[C@H](C)NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 5428888 ZWRCCSWQXBFQPG-VIFPVBQESA-N 337.514 4.013 0 40 EIAB Cc1cc(C)c(C(=O)CSc2nc(O)c3ccccc3n2)cc1C 5931830 WMWSFOASAIKFNV-UHFFFAOYSA-N 338.432 4.236 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1 6257072 FCHRKYVEEXNTPU-UHFFFAOYSA-N 333.478 4.111 0 40 EIAB CO[C@@]1(c2ccccc2)O[C@H]2OCC[C@H]2[C@@H]1c1ccc(Cl)cc1 6403118 UCARDUKNNKSRCJ-OKYOBFRVSA-N 330.811 4.316 0 40 EIAB CCN(CC(=O)NCCCc1ccccc1)c1cccc2ccccc12 6831749 GAUUIOSMAUCUEM-UHFFFAOYSA-N 346.474 4.415 0 40 EIAB CC(=O)Nc1ccc(SCc2nc(-c3cccs3)no2)cc1 7293656 IXKXNGOIZXYMSX-UHFFFAOYSA-N 331.422 4.049 0 40 EIAB COC(=O)c1cc(-c2ccccc2F)nc2onc(-c3ccco3)c12 8391742 BLXNOCZVVYURTN-UHFFFAOYSA-N 338.294 4.076 0 40 EIAB CC(C)(C)C(=O)NCc1ccc(-c2csc(N3CCCC3)n2)s1 8429449 XUYXMIIKCUWQAD-UHFFFAOYSA-N 349.525 4.134 0 40 EIAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2cc(Cl)ccc2o1 9306511 RPTGETUNBNICRG-UHFFFAOYSA-N 339.734 4.445 0 40 EIAB CC(C)CC[C@]1(CC(=O)NCc2cccnc2)CCO[C@H](C(C)C)C1 9423640 WKIGNWKCNUIPNI-FPOVZHCZSA-N 346.515 4.346 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCCc2ccccc21 10963314 BEUFSVMDTZNONU-CYBMUJFWSA-N 338.432 4.288 0 40 EIAB CCC[C@H](NC(=O)[C@@H](C)Sc1nccn1CC)c1ccccc1 11605684 BVWUNRLHANITHJ-ZBFHGGJFSA-N 331.485 4.041 0 40 EIAB CC(C)c1ccc(C(=O)N2CCC(n3cnc4cccnc43)CC2)cc1 12144605 GFRPZZBDPOPCKM-UHFFFAOYSA-N 348.450 4.032 0 40 EIAB CCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1cccs1 12200158 HMOXYEPKUSJFBZ-INIZCTEOSA-N 342.464 4.146 0 40 EIAB CCOCCSCc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 12598791 QUGNMGUROZETPT-UHFFFAOYSA-N 345.464 4.217 0 40 EIAB Cc1ccccc1OCCC(=O)N[C@@H]1CCSc2ccccc21 12695104 ZEDMABGIGPMCFA-MRXNPFEDSA-N 327.449 4.117 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cc1 12767076 BVAQRLZUHCALBW-GASCZTMLSA-N 343.496 4.182 0 40 EIAB CCCCN(C)Cc1nc(O)c2sc(-c3ccc(F)cc3)cc2n1 12921881 NSCHJUAQCWHUOF-UHFFFAOYSA-N 345.443 4.435 0 40 EIAB COc1ccccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 14241512 CEDXDAYUBGTISW-CQSZACIVSA-N 333.840 4.316 0 40 EIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(Cl)(Cl)Cl 20136964 XWFAUMDXEGYXTQ-UHFFFAOYSA-N 348.613 4.056 0 40 EIAB COc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20141189 LZKHVYUIIOHJFX-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CCOC(=O)c1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 22076220 LSDQICGPCUSBHA-UHFFFAOYSA-N 349.430 4.456 0 40 EIAB Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1F 22131391 VIOZKNSKGQJXDJ-UHFFFAOYSA-N 326.396 4.434 0 40 EIAB CCCOc1ccc([C@H](C)NC(=O)c2ccoc2)cc1OCCC 25065862 WBLRJLAQKUTMDT-AWEZNQCLSA-N 331.412 4.348 0 40 EIAB O=C(Nc1ccccc1F)c1cccnc1SCC(F)(F)F 25895693 MQWJWORHQMIACD-UHFFFAOYSA-N 330.306 4.127 0 40 EIAB Cc1cc(C(=O)CSc2ncnc3ccsc23)c(C)n1C1CC1 26958631 HHZUBQQSTQWTTO-UHFFFAOYSA-N 343.477 4.420 0 40 EIAB COc1ccccc1-c1nc(COC(=O)c2cc(Cl)c[nH]2)cs1 31002987 DBRCGMBJZWVQGY-UHFFFAOYSA-N 348.811 4.157 0 40 EIAB Cc1nc(Cc2ccccc2)sc1C(=O)NCC1CCCCC1 32648582 PBDVYGRUROGRRC-UHFFFAOYSA-N 328.481 4.352 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 44845146 WKYDCCNROUAPBP-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB CN(Cc1cccs1)C(=O)C1(c2cccc(Cl)c2)CCOCC1 52956731 RPBHHDPZAWGLDR-UHFFFAOYSA-N 349.883 4.108 0 40 EIAB Fc1ccc([C@@H](NCc2nc(C3CC3)no2)c2cccs2)cc1 55827775 JEGXWMHSDNOZGV-MRXNPFEDSA-N 329.400 4.027 0 40 EIAB CC(C)c1nnc(CN2CCc3sccc3[C@H]2c2ccccc2)o1 58246000 RKEVQGKKHRIKRZ-GOSISDBHSA-N 339.464 4.402 0 40 EIAB O=C(CCc1ccccc1O)N1CCC(c2cc3ccccc3[nH]2)CC1 58325681 HCLKGIWGQTXYOJ-UHFFFAOYSA-N 348.446 4.212 0 40 EIAB CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)c(C)c1 58326060 XFLKQYUVWWACSP-HOCLYGCPSA-N 348.512 4.083 0 40 EIAB Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 58357397 BQXOQCUWYRFXAZ-MAUKXSAKSA-N 327.424 4.139 0 40 EIAB CC(C)(C)OC(=O)N1CCC2(CCCCN2Cc2ccccc2)CC1 59111387 JVOCUYAQMDVMEQ-UHFFFAOYSA-N 344.499 4.442 0 40 EIAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CCCCCCC1 59849680 ZLNGWCQUAQAVQQ-UHFFFAOYSA-N 349.494 4.012 0 40 EIAB CC(C)Oc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1cccnc1 67295347 ZEHVOXSTPGNRCF-ZDUSSCGKSA-N 331.391 4.233 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)o1 71902613 ORDFKSLCBLLIDU-LLVKDONJSA-N 344.802 4.179 0 40 EIAB CCOc1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 72272037 KIFMIZDBLCKRLH-QGZVFWFLSA-N 344.480 4.228 0 40 EIAB O=C(C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)c1cccs1 75106618 HCZIYTPLSUPLHR-AWEZNQCLSA-N 333.840 4.279 0 40 EIAB CN(C(=O)C[C@H]1C=CCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F 78509903 KIKASDIMWZUVLS-XOBRGWDASA-N 342.389 4.264 0 40 EIAB COc1ccc(F)cc1C[S@](=O)[C@H](C)c1ncc(C(C)(C)C)o1 85224247 XGYKIVKLRMDUPD-QVQLBTGDSA-N 339.432 4.130 0 40 EIAB O=C(Nc1cccc(-c2nccs2)c1)c1ccc2c(n1)CCCC2 89780574 INKNFPFKWRUELE-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc2ncccc2c1 89878256 ZWCRDYJQAHIKMF-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB CCOc1ccc2nc(S[C@@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)[nH]c2c1 100951082 DMHROJCTYQWEMO-MOFZMDFASA-N 344.480 4.448 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c(C)c1 102606194 CWSOSCYIFYAMMI-FSAOVCISSA-N 345.442 4.233 0 40 EIAB Cc1cc2oc(=O)cc(COc3cc(C)c(C)nn3)c2cc1C(C)C 107079408 JTXUTDHHAAGSTJ-UHFFFAOYSA-N 338.407 4.211 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2O)[nH]1)c1ncc(C(C)(C)C)o1 194586419 GCPWVKQETQZIPH-SNVBAGLBSA-N 344.440 4.316 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195530174 JVPLYRPRJVNTFD-KHMAMNHCSA-N 344.480 4.249 0 40 EIAB O=C(c1ccncc1)N1CCS[C@@H](c2ccccc2Cl)CC1 206994109 JTBKNJFLLIKTEF-MRXNPFEDSA-N 332.856 4.055 0 40 EIAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)cc2)CCS1 219275330 YGORXZUVXAMROC-SFHVURJKSA-N 329.440 4.455 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219900 LZQNOIHLSGRTKN-JLTOFOAXSA-N 341.426 4.349 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=O)C1(c2ccccc2)CCCC1 224407722 APBQIQNAPDZCKI-FQEVSTJZSA-N 342.527 4.269 0 40 EIAB CCOCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OCC 224701865 MVRIQXVCDWNKIB-CQSZACIVSA-N 345.414 4.252 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(C)cc1 225394641 ZLHYYHUUHBTRCI-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB Fc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1 225579411 GPYPFPYIVVNUOL-UHFFFAOYSA-N 339.355 4.138 0 40 EIAB CCc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225779674 JGMGZKSWZBVUFX-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc(-c2nc3ccccc3s2)cc1 226280913 VEYWTBYJQDRLSW-UHFFFAOYSA-N 336.338 4.488 0 40 EIAB Cc1cc(Nc2nccs2)cc([C@H]2CCCN(CC(C)C)C2)n1 257257004 KNRJJRMCNYBQEG-HNNXBMFYSA-N 330.501 4.426 0 40 EIAB CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 409368703 IRTKZMOJJNVIRB-UHFFFAOYSA-N 339.313 4.365 0 40 EIAB O=C(Nc1ccc(NC[C@@H]2CCCCO2)cc1)N1CCCCCC1 585140222 AASKGNOETXWSKQ-SFHVURJKSA-N 331.460 4.076 0 40 EIAB NC1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1 629696268 XTCGAWAMMNCEDO-UHFFFAOYSA-N 334.385 4.296 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@H]1C2 109687 DTXQVARBXZLJMS-QFYYESIMSA-N 325.330 4.039 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C(C)C)c(C)c1 314993 VCONDVLLWPDJIC-UHFFFAOYSA-N 331.481 4.211 0 40 EIAB C[C@@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2c2c(Cl)cccc21 488289 RGOIRMSFDXYJFH-OTYXRUKQSA-N 327.767 4.247 0 40 EIAB biogenic c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 531667 GLEAWWBZGOVDFF-UHFFFAOYSA-N 337.404 4.472 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 568259 HRQYPIXSMNAVMI-UHFFFAOYSA-N 340.467 4.163 0 40 EIAB CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 807239 QNQDVYSCWBWNRB-UHFFFAOYSA-N 347.340 4.108 0 40 EIAB Cc1ccc(Nc2ncccc2C(=O)NCc2cccs2)c(C)c1 1340845 MNUHKAJKYNRNSN-UHFFFAOYSA-N 337.448 4.434 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(F)c(Cl)c1)C3 2124664 PHCGFHVONOJNPH-UHFFFAOYSA-N 345.757 4.250 0 40 EIAB biogenic O=C(Nc1ccc(O)c(Br)c1)c1cccc(Cl)c1 3075782 JGXDQECNXUSHNI-UHFFFAOYSA-N 326.577 4.060 0 40 EIAB CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1 4185928 QQCIYMYFZKHDED-UHFFFAOYSA-N 329.425 4.414 0 40 EIAB O=C(NC(=S)Nc1ccc(Nc2ccccc2)cc1)C1CCC1 4621588 UKIMYWYXOHFCMY-UHFFFAOYSA-N 325.437 4.043 0 40 EIAB COc1cc(-c2nc3ncccn3c2Nc2cccc(C)c2)ccc1O 4734137 LOYTZSJPHSAMHE-UHFFFAOYSA-N 346.390 4.163 0 40 EIAB CC(C)OC(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287873 XHOQFTRWOKAFJK-UHFFFAOYSA-N 344.461 4.402 0 40 EIAB O=C(c1ccccc1)[C@H]1Nc2cnccc2[C@H]2c3ccccc3C[C@@H]12 5582018 MABJQSJTJDPFNQ-NRSPTQNISA-N 326.399 4.063 0 40 EIAB COc1ccc(C(=O)CSc2ccc3ccccc3n2)c(OC)c1 5627154 SAHZEFNCXHYBHI-UHFFFAOYSA-N 339.416 4.227 0 40 EIAB COc1cc(NC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 6380827 ADNOHOTWTRWYJZ-UHFFFAOYSA-N 336.775 4.010 0 40 EIAB C[C@@H]1C[C@H](NC(=S)NC(=O)c2ccccc2Cl)CC(C)(C)C1 6437944 IBIVLKJURKYXDH-NEPJUHHUSA-N 338.904 4.159 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 6629556 UXLFDMIDKPDZFP-FOWTUZBSSA-N 348.443 4.262 0 40 EIAB CCCCN1CN(CCc2ccccc2)Cn2c1nc1ccccc12 7496201 HLYLLEHUJRPPTJ-UHFFFAOYSA-N 334.467 4.116 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 7603253 UIDSOKOJDPEQLK-RRCMXIFQSA-N 329.509 4.393 0 40 EIAB O=C(Nc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8280131 ULZBHAZQDVKMRP-KRWDZBQOSA-N 338.407 4.217 0 40 EIAB Cc1ccc2nc(CCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2c1 8772038 UXTXXHHJKPQCDA-UHFFFAOYSA-N 347.340 4.461 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 9062023 HRXJJJXSCRTMGL-NSHDSACASA-N 344.263 4.341 0 40 EIAB Cc1cccc(CNC(=O)c2c(C)c3cc(Cl)ccc3n2C)c1 9264122 DMWIIQCWJOFAEZ-UHFFFAOYSA-N 326.827 4.379 0 40 EIAB CCCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccn1 11565904 UIJQSKYABFTLSS-UHFFFAOYSA-N 348.468 4.185 0 40 EIAB O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1cccnc1 11854272 PCNKQSCVFRERQJ-UHFFFAOYSA-N 330.343 4.033 0 40 EIAB c1ccc(C[C@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 12777975 DNOIOFCZRLEFTP-OAHLLOKOSA-N 325.437 4.005 0 40 EIAB Cc1cc(-c2ccccc2)nc(SCc2nc(C(C)(C)C)no2)n1 12855691 NMHIXHWTPASVDC-UHFFFAOYSA-N 340.452 4.425 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)cc1 12893973 SLBVJRQUFQKUHP-SNVBAGLBSA-N 348.855 4.241 0 40 EIAB Cc1csc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)n1 13719110 LQGCWTGQEOJBNZ-UHFFFAOYSA-N 340.433 4.104 0 40 EIAB CCc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1 14258099 MDOFGTFPCWQYIO-UHFFFAOYSA-N 336.439 4.276 0 40 EIAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc2c1CCCC2 14849272 KFNNIYBLJUBDDI-QGZVFWFLSA-N 348.446 4.095 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2cccc(NC(C)=O)c2)c1 15421785 UVRLRFIYFDAEAN-UHFFFAOYSA-N 334.828 4.273 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1OC 20452122 ONZSKTOIALQQRR-KGLIPLIRSA-N 345.464 4.062 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 20452689 NHSHHLISQCQSDX-HILYYZTDSA-N 327.468 4.101 0 40 EIAB Cc1noc(C)c1C(=O)Nc1nc2c(C(F)(F)F)cccc2s1 21769336 WBFWEFUTDJMXBT-UHFFFAOYSA-N 341.314 4.172 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)c(C)c1 25439526 SFWPHDJFEPINOG-HXUWFJFHSA-N 336.479 4.257 0 40 EIAB Cc1ccccc1CNC(=O)CNc1cccc(OC2CCCC2)c1 29937315 DMEVPTZDAVVETO-UHFFFAOYSA-N 338.451 4.045 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)c1csc(Cc2ccccc2)n1 30643094 IOTPYJRDPQBVRU-UHFFFAOYSA-N 341.461 4.320 0 40 EIAB Cc1ccc(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)n1C 31381382 NJRHRBLWPRYZKN-KRWDZBQOSA-N 332.447 4.284 0 40 EIAB CC1(C)C[C@H](N[C@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 32124144 UNXPLMJNVBBABN-YLJYHZDGSA-N 339.435 4.052 0 40 EIAB biogenic Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C 38835197 QZQWIGFVIZUNRA-SFHVURJKSA-N 340.442 4.293 0 40 EIAB CC(C)CSCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 39983353 YNIHWSOSDDEZNR-KRWDZBQOSA-N 337.485 4.482 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCCCOC1CCCCC1 39985534 LQKXKKZRZSEIAR-UHFFFAOYSA-N 343.389 4.104 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)N[C@@H]1CCSc2ccccc21 45552109 USMNKRPVFNTAEV-HZPDHXFCSA-N 340.448 4.047 0 40 EIAB Cc1ccc(C(=O)NC2CCN(Cc3cccc4ccccc34)CC2)o1 51097685 BFKINUNOHHUHJZ-UHFFFAOYSA-N 348.446 4.136 0 40 EIAB Cc1nc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)cs1 56853396 DFPYCWVGVSWRDI-SECBINFHSA-N 343.374 4.031 0 40 EIAB CCN(CC)[C@@H](CNC(=O)Nc1c(C)cc(C)cc1C)CC(C)C 58209316 ZJKLFOQURVMXQV-GOSISDBHSA-N 333.520 4.490 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)C(C)(C)Oc1ccc(Cl)cc1 59344132 MEJUAQHHSHWFSX-ZDUSSCGKSA-N 329.827 4.475 0 40 EIAB C[C@H]1C(=O)CCN(CC(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 61931293 GIHFVUHAZSIUAO-OYHNWAKOSA-N 346.430 4.003 0 40 EIAB CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 79109635 GKVCLBCFBQHXGF-ROUUACIJSA-N 348.556 4.042 0 40 EIAB CCn1nc(C)c(NC(=O)N2CCC(C)(c3ccccc3)CC2)c1C 89479372 YVINLOKGYSUTCP-UHFFFAOYSA-N 340.471 4.105 0 40 EIAB O=C(CCc1ccccn1)NC1c2ccccc2Oc2ccccc21 89857846 DDMBVZDITYNDOQ-UHFFFAOYSA-N 330.387 4.026 0 40 EIAB CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(F)ccc2F)CCO1 95465796 JMBQOVQXTUNXCD-XJKSGUPXSA-N 326.387 4.070 0 40 EIAB CC[C@@](CNC(=O)Nc1ccc(C)c(C)c1)(OC)c1ccccc1 96123820 ZSZJIIPIGCDNQU-FQEVSTJZSA-N 326.440 4.377 0 40 EIAB COc1ccc(C)c(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)c1 96471012 INQVCCBEEVPGCA-CXAGYDPISA-N 346.452 4.059 0 40 EIAB Cc1ccccc1-c1nc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)no1 96471497 CVISHJYCBKGXMF-OZAJXLCCSA-N 344.411 4.194 0 40 EIAB COc1cccc(Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccn2)c1 96671417 POHMKUVXNPWVNJ-OAHLLOKOSA-N 347.418 4.325 0 40 EIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cccs1 96759157 HSYUTCFTSQLGOK-NTMALXAHSA-N 348.349 4.421 0 40 EIAB Cc1noc(CSc2nc(C)c(C)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 106556800 ASIGNLLVINEXRB-TUUVXOQKSA-N 346.500 4.481 0 40 EIAB Cc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 170564423 DDQZJRNHTYKASX-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB O=C([C@@H]1C[C@@H]2C=C[C@@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 195530071 INWYLJANKLYLOW-VDHUWJSZSA-N 349.434 4.002 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccccc2)cc1 223446900 CDTPIRPQOKWZCV-UHFFFAOYSA-N 325.452 4.112 0 40 EIAB CCOCc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OC 224405203 FCWJBKYSNIBAAL-UHFFFAOYSA-N 327.424 4.355 0 40 EIAB CCCOCc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 224415773 ZAUCPRRGWMMJCN-UHFFFAOYSA-N 343.423 4.191 0 40 EIAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224911709 WBRIFOBCLBZJHU-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB Cc1cc(Cl)ccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225074116 ZZPQYWQDCJLQQA-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCC1)c1cc2ccccc2s1 225594291 OWQZOKFAHAIYQK-OAHLLOKOSA-N 342.489 4.140 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(F)cc1F 225703585 SBRFAOQYOYUAPY-INIZCTEOSA-N 348.418 4.337 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1 408680924 UAYHTDXVOCXNAM-INIZCTEOSA-N 335.513 4.253 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(OC(C)C)c1 408702914 KBNTYYIXMRTZHP-LJQANCHMSA-N 343.423 4.279 0 40 EIAB CCN(C(=O)[C@H](C)n1cc(C(C)=O)c2ccccc21)c1ccccc1 409198948 MRWAXUNENAMBLD-HNNXBMFYSA-N 334.419 4.458 0 40 EIAB CC(=O)OC(C)(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360507 FHSGPECNWIWWJE-UHFFFAOYSA-N 342.235 4.249 0 40 EIAB CSCCC(=O)c1ccc(Br)cc1OC(F)(F)F 575362616 KHHKRBYDFNHJMM-UHFFFAOYSA-N 343.164 4.284 0 40 EIAB CSc1ncccc1C(=O)NCc1cc(-c2ccco2)cs1 1888944467 NWZPHTYNXUKVCI-UHFFFAOYSA-N 330.434 4.055 0 40 EIAB O=C1C[C@@H](c2ccc(F)cc2)Sc2nc(-c3ccc(F)cc3)nn21 79105 OCHJQRYEZZVSGC-AWEZNQCLSA-N 343.358 4.101 0 40 EIAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(Cl)cc1)CC2 319579 JFXDGHBDHUQAIP-GFCCVEGCSA-N 345.826 4.117 0 40 EIAB COC(=O)C1=C(C)Nc2nc3cc(C)c(C)cc3n2[C@@H]1c1ccccc1 386932 YZIVVMJSQLJZNQ-LJQANCHMSA-N 347.418 4.115 0 40 EIAB c1ccc2c(NC3C4CC5CC(C4)CC3C5)nc(N3CCCC3)nc2c1 529686 ZEQOXUZGKJREFX-UHFFFAOYSA-N 348.494 4.467 0 40 EIAB Fc1ccccc1-c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 1018230 FKJMQZDVNFIUCO-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 3283298 CVSISZNCFRDVQO-LBPRGKRZSA-N 349.261 4.379 0 40 EIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1c(Cl)cccc1Cl 3397912 JCLGEDITBPVMED-NSHDSACASA-N 335.234 4.383 0 40 EIAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2nccnc2c1 3419193 HWNCWUNSINKHHR-UHFFFAOYSA-N 339.398 4.473 0 40 EIAB COc1cccc(/C=C/C(=O)Oc2ccc(Br)cc2)c1 3550184 CTJFTVLFFUEYHM-BJMVGYQFSA-N 333.181 4.077 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)c1 4979729 XDTOZEPVXMWZFN-SZVBFZGTSA-N 346.467 4.464 0 40 EIAB Cc1nc(-c2ccccc2)cc(=O)n1Cc1c(F)cccc1Cl 5608679 LJZMAQRKIAIIQR-UHFFFAOYSA-N 328.774 4.060 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Nc1cccc2cnncc12 6026285 LBEPPZOFCQWVRS-UHFFFAOYSA-N 336.464 4.239 0 40 EIAB Cc1cc(Cl)nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 6948505 WQWNLBZSHSGEJY-UHFFFAOYSA-N 331.590 4.389 0 40 EIAB Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)on3)n2)c(C)c1 7796051 GJAUAVHITJQPTH-UHFFFAOYSA-N 327.409 4.284 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(Cl)cc1 8709309 LPKVTVITJMZBIJ-UHFFFAOYSA-N 340.810 4.244 0 40 EIAB CCN(CC)c1ccc2nc(C)c(CN3CCCC[C@@H]3C)c(O)c2c1 8717366 GRICOGBHJODKFU-HNNXBMFYSA-N 341.499 4.469 0 40 EIAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(N)c1 8783558 BVMLGIDRODFNIZ-VWKPWSFCSA-N 339.435 4.432 0 40 EIAB C[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 9468747 IDLXCXDNVUGXPU-HNNXBMFYSA-N 331.419 4.169 0 40 EIAB CN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 9827739 LQNPWICFMLGQJH-UHFFFAOYSA-N 336.435 4.145 0 40 EIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 10009825 DCBGMCWFNSGSEC-UHFFFAOYSA-N 338.451 4.013 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 11637001 RXXHOXFLBWWGJQ-INIZCTEOSA-N 349.814 4.153 0 40 EIAB O=C(Nc1nccs1)c1ncoc1-c1ccccc1C(F)(F)F 12144671 CSGJIQWNEBBHNL-UHFFFAOYSA-N 339.298 4.069 0 40 EIAB Clc1ccc([C@H]2C[C@H](c3ccco3)n3ncnc3N2)cc1Cl 12469117 WWHJTHRTEUEZHH-CHWSQXEVSA-N 335.194 4.324 0 40 EIAB Cc1nc(CSc2ccccc2C(=O)NC2CCCCCC2)no1 12888488 PBPFABZXWYVLCI-UHFFFAOYSA-N 345.468 4.123 0 40 EIAB Fc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 18130650 MCQQCENVQIISPH-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1 18131705 VOCXLCCRZBWXQS-LJQANCHMSA-N 327.424 4.365 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc2ccccc2o1 20139672 PHIXBXGIOACSAH-UHFFFAOYSA-N 333.343 4.437 0 40 EIAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3F)c2C)cc1 21555543 XHSMKIYPJHCHRV-UHFFFAOYSA-N 337.398 4.248 0 40 EIAB Cc1c(C(=O)OCc2nnsc2Cl)sc2cccc(F)c12 21605502 QZGLUEJWLRWTLV-UHFFFAOYSA-N 342.804 4.211 0 40 EIAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(Cl)cc(Cl)c1 22014701 NMXNAYGOUOQUPC-LLVKDONJSA-N 334.199 4.034 0 40 EIAB CSc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 25061496 RAFHKXXZIDNELY-UHFFFAOYSA-N 327.384 4.190 0 40 EIAB O=C(CSc1nccn1-c1ccccc1)c1ccc2c(c1)CCC2 26128004 SLPYVHREJDRYNT-UHFFFAOYSA-N 334.444 4.336 0 40 EIAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCCCCC1 27693192 DYISXFXAICAPHW-UHFFFAOYSA-N 347.462 4.030 0 40 EIAB COc1ccccc1-c1csc(NC(=O)c2cccc(F)c2)n1 32580462 FFXRETIJYXPPNL-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB O=C(Cc1ccc2ccccc2c1)Nc1cc2c(cc1F)CCC(=O)N2 32817682 CBVJPBBKMQYZHG-UHFFFAOYSA-N 348.377 4.045 0 40 EIAB C[C@]1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1(Cl)Cl 32818710 UFYLVLMLLIKTPB-CQSZACIVSA-N 325.195 4.228 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Br)cc2F)o1 40097439 REFNBSJVMINCPN-SECBINFHSA-N 341.180 4.372 0 40 EIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1 41089893 GGJHPSICLOMNJL-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB CC(C)c1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)cc1 41157532 OXHAYAXHJKFTKT-UHFFFAOYSA-N 347.842 4.037 0 40 EIAB COc1cccc2cc(CC(=O)c3ccc4ccccc4c3)c(=O)oc12 59474344 HPEPSRZQFZYNPS-UHFFFAOYSA-N 344.366 4.380 0 40 EIAB O=C(C1CCC1)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 69418959 JIHFSJKHERLFCG-KRWDZBQOSA-N 327.403 4.070 0 40 EIAB O=C(C1CCOCC1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 69738118 ZQUIVUDLLLOIHA-UHFFFAOYSA-N 343.467 4.004 0 40 EIAB CC[C@@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1nc(C)cs1 71856671 QWGLOHPAEDVGCE-CABCVRRESA-N 345.468 4.116 0 40 EIAB Cc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 71894099 RMJZIJPGSPGOSP-GHMZBOCLSA-N 325.195 4.340 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(CO)c1 72120254 QYLHWTOKBAOYHK-GJZGRUSLSA-N 326.440 4.132 0 40 EIAB COC(=O)c1sc(N)cc1O[C@H](C)c1ccccc1C(F)(F)F 85221429 ULUHOOMPDHUVSR-MRVPVSSYSA-N 345.342 4.276 0 40 EIAB C[C@@H](N[C@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 95421011 XZFXTRAPJWMCCJ-DYVFJYSZSA-N 342.464 4.433 0 40 EIAB c1ccc(CO[C@H]2COC3(CCN(Cc4cccs4)CC3)C2)cc1 96047844 ANXCOKLRNVCGLH-GOSISDBHSA-N 343.492 4.088 0 40 EIAB Cc1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)nn1Cc1ccc(F)cc1 100219564 HHTMCDYGMLPOFK-BRWVUGGUSA-N 341.430 4.144 0 40 EIAB Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 102165829 LJBOBFXTXNQJOL-RYQLBKOJSA-N 332.440 4.156 0 40 EIAB OC1=C2C(=Nc3nonc3N[C@H]2c2cc(Cl)ccc2F)CCC1 102747424 IDZPWXQCOOPRBD-ZDUSSCGKSA-N 334.738 4.097 0 40 EIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@@H]1CCCC[C@@H]1C 105877193 SSUDPGGFIUOSAD-OFQRWUPVSA-N 328.481 4.410 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1OCC 216253551 GSVDNUZQYQZWNV-UHFFFAOYSA-N 343.423 4.064 0 40 EIAB O=C(O)c1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12 216954558 BUSVZONNQXMSQG-UHFFFAOYSA-N 334.158 4.335 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(F)cc1 219588123 DGZLRIIRGHJDJS-IBGZPJMESA-N 329.415 4.041 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccccc1OC 222544241 CCYWQZRRMDVONE-WBVHZDCISA-N 327.424 4.038 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NC(C)(C)Cc1ccccc1 223071886 VNKOLLIDNWFFAT-INIZCTEOSA-N 325.452 4.154 0 40 EIAB CCCOc1ccccc1CCCNC(=O)CCc1ccccc1F 225026774 OCQISYGFIZDQDA-UHFFFAOYSA-N 343.442 4.296 0 40 EIAB Cc1nc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1C 225894022 NDAWXJXOOBKNRX-UHFFFAOYSA-N 334.206 4.441 0 40 EIAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c(C)n1 225896638 UKCGGCCHJJACSZ-IBGZPJMESA-N 336.476 4.493 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc3ncccc3c2)OC2(CCCCC2)C1 257270954 MWHGUQQSSPUAEV-UYAOXDASSA-N 338.451 4.294 0 40 EIAB Cc1ccc2nccc(N3CC[C@H](OCc4csc(C)n4)C3)c2c1 585083265 JSTOOHDCSMVOSP-INIZCTEOSA-N 339.464 4.104 0 40 EIAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148047 MWXGBDJHJGLFEB-UXHICEINSA-N 349.430 4.290 0 40 EIAB CN(C(=O)c1csc(C2CCCCC2)c1)C1CCC(CO)CC1 1137525643 BWJXSVLROHRBNN-UHFFFAOYSA-N 335.513 4.419 0 40 EIAB C[C@H]1CCCN(c2ccccc2OC(=O)N2CCc3ccccc32)C1 1661992169 KZGLDDSOEWRHPJ-INIZCTEOSA-N 336.435 4.484 0 40 EIAB CC(=O)Nc1cccc(Oc2nc(C)nc3sc4c(c23)CCC4)c1 107340 PGCVMNORJBZXKH-UHFFFAOYSA-N 339.420 4.239 0 40 EIAB CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@H](C)CC4 413195 FMAXCCSJAJAFHD-SECBINFHSA-N 344.509 4.453 0 40 EIAB COc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)C(C)C)cc1 553511 DIXALZSJTKUPDS-IBGZPJMESA-N 327.424 4.472 0 40 EIAB Cc1ccc(C)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 572050 LVHPBDOTUSVYRJ-UHFFFAOYSA-N 330.387 4.056 0 40 EIAB Clc1nc(NCCc2ccccc2)c2ncn(-c3ccccc3)c2n1 1562388 PQLMHGORCZEQRE-UHFFFAOYSA-N 349.825 4.124 0 40 EIAB in-vitro O=C(COc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3526058 NYLMZJJRTNVOAI-QFIPXVFZSA-N 346.382 4.233 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 3606555 XVYYEDTWUAMDBA-UGSOOPFHSA-N 329.827 4.301 0 40 EIAB C/C=C/[C@H]1OC[C@@]2(COC(=O)NCCCC)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 4024383 KQNWOQWLNRLDSK-MEQTWNLTSA-N 335.488 4.322 0 40 EIAB CCCCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1 4163620 NUJYZEMCMIVEME-UHFFFAOYSA-N 334.419 4.492 0 40 EIAB CNC(=O)c1ccsc1NC(=O)c1ccc(-c2ccccc2)cc1 4281743 JTLMPNZEXDWMHO-UHFFFAOYSA-N 336.416 4.027 0 40 EIAB Clc1cccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)c1 4540218 BECTYCJDPXFTBN-SNAWJCMRSA-N 339.811 4.072 0 40 EIAB COc1ccc([C@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1F 4772783 MYLHJWVTMYGUNH-RXVVDRJESA-N 343.442 4.137 0 40 EIAB O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 4934795 CVVXHUZYGHJZKJ-KBPBESRZSA-N 336.273 4.144 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1C(C)C 4970558 CUBRWSIZNNTHOU-UHFFFAOYSA-N 348.468 4.021 0 40 EIAB CC1(C)C2=C[C@H]3N(CC(=O)N2c2ccccc21)c1ccccc1C3(C)C 5261045 DTSHYNRAYNNFJW-LJQANCHMSA-N 344.458 4.375 0 40 EIAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)c1ccc(Cl)cc1 5454738 OGVGEZXCNMDZFC-UHFFFAOYSA-N 338.219 4.240 0 40 EIAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccccc3)c2n1 5576348 DZDMZEUZRUVVJW-HUUCEWRRSA-N 334.467 4.495 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCCc2ccccc21 6622663 YUOVWDJKCATUHS-ZDUSSCGKSA-N 344.842 4.128 0 40 EIAB O=C(Oc1ccccc1)c1ccccc1OCc1cn2ccccc2n1 7318801 AXTMIXHMIVCPPQ-UHFFFAOYSA-N 344.370 4.133 0 40 EIAB COc1ccc(CCC(=O)OCc2cc(-c3cccs3)on2)cc1 7733994 LJFNORGNCRYUQM-UHFFFAOYSA-N 343.404 4.088 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cc1C 7942222 DRMPBVVIRXMQSG-HXUWFJFHSA-N 334.419 4.206 0 40 EIAB Cc1cc(CN[C@H](C)c2ccncc2)c(C)n1-c1ccnn1C(C)C 7985281 DXTGKGHPWAFTDC-MRXNPFEDSA-N 337.471 4.117 0 40 EIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCCCC2 8192384 LXVRLRUBHGXXDK-UHFFFAOYSA-N 343.448 4.018 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 8209523 HVLKZJSESDAWIA-UHFFFAOYSA-N 336.416 4.370 0 40 EIAB COc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1Cl 8346715 NZGTYUBJZZNHSN-UHFFFAOYSA-N 335.762 4.089 0 40 EIAB CCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCCCCC(=O)OC 8602743 QZAJJEFYEVWODE-MLHJIOFPSA-N 326.477 4.395 0 40 EIAB CCCc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1 8774553 WIZSAXJAIFLJOA-UHFFFAOYSA-N 343.477 4.138 0 40 EIAB Cc1ccc(-c2cc(NC(=O)COc3cccc(C)c3C)on2)cc1 8868471 QCOVPGDXIWCPPT-UHFFFAOYSA-N 336.391 4.284 0 40 EIAB Cc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1 9315130 ZLBROHSOIVGZNS-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(OCc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1 9913261 ZCHWICJHQLAJHR-UHFFFAOYSA-N 346.308 4.248 0 40 EIAB Brc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 12931605 FLWXKFVPITXGGS-UHFFFAOYSA-N 346.253 4.331 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 14254971 IGJHRSUXLONIRC-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB O=C(/C=C/c1cccs1)Nc1ccnn1Cc1cccc(Cl)c1 15615265 RLWKHGUORZWCJM-VOTSOKGWSA-N 343.839 4.298 0 40 EIAB O=C(NCc1ccccc1)c1sc2ncccc2c1-n1cccc1 15786012 JZBFORWAYRLDJM-UHFFFAOYSA-N 333.416 4.017 0 40 EIAB Cc1ccc(CSCCNC(=O)/C=C/c2ccc(F)cc2)cc1 20240073 FWJDUXQEWIQQIR-DHZHZOJOSA-N 329.440 4.197 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 20450964 DFIGXKLHYYXWTP-DYVFJYSZSA-N 329.827 4.475 0 40 EIAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccn1 23484816 KVOADEZMPBMITP-MRXNPFEDSA-N 347.443 4.186 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1 25375212 BWTRTHZLMOJYHD-KBPBESRZSA-N 349.418 4.011 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1 27663900 QMLBBSUHCDRFOL-IBGZPJMESA-N 342.870 4.297 0 40 EIAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)n1 27970827 VLDRSJJFRXBELW-UHFFFAOYSA-N 345.446 4.289 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 30873465 MSUUQSMYZQLDRG-GFCCVEGCSA-N 348.240 4.418 0 40 EIAB c1cc(-c2noc(-c3ccco3)n2)cc(-c2noc(-c3ccco3)n2)c1 35323646 FEUPBIHJAAQRMY-UHFFFAOYSA-N 346.302 4.307 0 40 EIAB O=C(NCCCOC1CCCCC1)Nc1cc(Cl)ccc1F 40024028 OGXDVDVPAQNRFT-UHFFFAOYSA-N 328.815 4.340 0 40 EIAB O=C(Cc1noc2ccccc12)N1CCSc2ccc(Cl)cc21 40071146 KFETVICFNPAFPV-UHFFFAOYSA-N 344.823 4.163 0 40 EIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccoc3C)cn2)c1 40112485 YSBDLSSJCLGCQB-UHFFFAOYSA-N 336.391 4.322 0 40 EIAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccsc2)c(Cl)c1 48367019 NKFDCFIXTSIOMV-MRXNPFEDSA-N 334.872 4.486 0 40 EIAB CC1CCC(N2CCC(N(C)c3ncnc4sccc34)CC2)CC1 60874488 JQKRITFZFBGKMR-UHFFFAOYSA-N 344.528 4.171 0 40 EIAB Cc1cc2oc(=O)cc(CNc3ccccc3-n3cccn3)c2cc1C 68781150 UDYBVOLQFGLPDX-UHFFFAOYSA-N 345.402 4.208 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)N2Cc3ccccc3C2)c1 69656793 SSYJYHQYVYGFCT-UHFFFAOYSA-N 337.423 4.219 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(O)=Nc2c1cnn2C(C)C 71281417 ALWAXHPDWYBNFZ-INIZCTEOSA-N 349.438 4.390 0 40 EIAB CCNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213105 FKNHGNLIPACMRG-GOSISDBHSA-N 339.439 4.377 0 40 EIAB CCOc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc2occc12 72240111 VEKBGEFAFIIFRN-UHFFFAOYSA-N 341.411 4.478 0 40 EIAB Fc1cccc(-c2cncc(C3CCN(Cc4cccnc4)CC3)n2)c1 72359403 CJHFLFRFTIKGNM-UHFFFAOYSA-N 348.425 4.057 0 40 EIAB CCN(C(=O)NCc1ccc(OC(C)C)cc1)[C@H](C)c1cccnc1 76016532 BUEQERKXBOERGC-MRXNPFEDSA-N 341.455 4.162 0 40 EIAB C[C@H](C(=O)Nc1ccc(Sc2nncs2)cc1)c1cccs1 78080946 QYFJBWJOMAQZQS-JTQLQIEISA-N 347.490 4.493 0 40 EIAB CC(C)n1ccc2c(NC(=O)C[C@H]3NC(=O)c4ccccc43)cccc21 95472206 TXBZWZVTECAPHW-GOSISDBHSA-N 347.418 4.036 0 40 EIAB O=C(Oc1ccccc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 95949835 KTTVOZUZGFSXQY-AWEZNQCLSA-N 338.432 4.118 0 40 EIAB C[C@H](N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 95958772 JVVWCCXGHIASHJ-OXJNMPFZSA-N 332.451 4.055 0 40 EIAB C[C@@H](Nc1ccc(CN2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 97037134 JJCCIMQMVZPTNK-GYCJOSAFSA-N 342.508 4.193 0 40 EIAB Cn1nccc1CNc1nc2ccccc2n1CCCc1ccccc1 97162774 GFQWGVISSLWXPH-UHFFFAOYSA-N 345.450 4.015 0 40 EIAB C[C@]12C[C@@H](NC(=O)N1Cc1ccccc1)c1cc(Cl)ccc1O2 101084902 RLTCGGPMJODAEL-QAPCUYQASA-N 328.799 4.105 0 40 EIAB COc1ccc2c(CC(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)coc2c1 101739322 CXHLUZYNQNTTFT-CFCCAZDESA-N 341.451 4.315 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 113970455 LVYHUYSAGGCHHM-KXBFYZLASA-N 329.415 4.477 0 40 EIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CCOCC1 117128319 BZZPLAPURVDYJV-LLVKDONJSA-N 330.255 4.330 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccc(Cl)c(C)c2)cc1 218939079 XLITYSHQLPQFMZ-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccc(Cl)cc1 224153909 FHYCJRNJQZYUPC-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(Cl)cc1 224436132 IEGNKRFCRATBNG-SFHVURJKSA-N 331.843 4.165 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1 225182108 VYFBOJKPEIERTG-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB COC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225484682 OMFHGTXQRBWVES-UHFFFAOYSA-N 346.430 4.262 0 40 EIAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(Cc3ccccc3)oc12 226271293 JPVMKXPBVXBGAP-UHFFFAOYSA-N 348.324 4.252 0 40 EIAB Cc1nsc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 334031416 LJQTXNIZSYLNOA-CYBMUJFWSA-N 333.848 4.108 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 408706488 ZTNXDFAZBGIHPU-CQSZACIVSA-N 349.883 4.324 0 40 EIAB C[C@@H]1CCC[C@@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 521394011 HSNAAGPUGCCJQJ-VYCZESIESA-N 342.439 4.410 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc(-c2cccs2)o1 575609134 PDFYSCYAFRHSMO-ZRDIBKRKSA-N 345.445 4.098 0 40 EIAB FC(F)c1cc2c(I)cccc2nc1Cl 685936839 ARKGAUFFZMHJIA-UHFFFAOYSA-N 339.510 4.430 0 40 EIAB Cc1ccc(S[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 43119 ZEARPYKPHPYVAK-MRXNPFEDSA-N 334.824 4.467 0 40 EIAB Oc1cccc(Oc2c(F)c(N3CCCC3)nc(F)c2Cl)c1 552915 AOHODNLNRMAGQZ-UHFFFAOYSA-N 326.730 4.111 0 40 EIAB CCn1nc(NC(=O)c2ccccc2F)c2cc3ccc(C)cc3nc21 1275761 DNBNYEVWWQZLGY-UHFFFAOYSA-N 348.381 4.304 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1ccc(CN2CC=CC2)cc1 2514934 VWARPRJBEROZQV-UHFFFAOYSA-N 343.467 4.145 0 40 EIAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 3208628 FGVWCYMEMQAYGQ-YBEGLDIGSA-N 342.395 4.240 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Nc2cccc(Br)c2)c1 3347847 QMXRSFWMKPBRIC-GFCCVEGCSA-N 333.229 4.197 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 4120602 MPCVHDYKWYAYTD-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CCOC(=O)n1c(SCc2ccc(F)cc2)nc2ccccc21 5399075 OVHCPFUKVJDGAJ-UHFFFAOYSA-N 330.384 4.472 0 40 EIAB CCc1ccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)cc1 5552936 DPFVWJNTLOJKAN-BOPFTXTBSA-N 337.400 4.302 0 40 EIAB CCCc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 5597711 IIJHTAZATPNZHQ-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)COc1cccc2ccccc12 6053080 VKKWKSRKRFJXQK-QGZVFWFLSA-N 333.431 4.356 0 40 EIAB CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 6083549 LXFDGPTYBJLMPS-LLVKDONJSA-N 338.473 4.202 0 40 EIAB CC(C)(C)NC(=O)COc1ccc(CNC2CCCCCCC2)cc1 6882411 SOUHMNPDMGHXPX-UHFFFAOYSA-N 346.515 4.183 0 40 EIAB CC1CCN(CCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 7077864 SAZUMPIRYUNGAA-UHFFFAOYSA-N 336.479 4.205 0 40 EIAB NC(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1 7271570 SOHVYQZRFIXEOK-UHFFFAOYSA-N 346.415 4.201 0 40 EIAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc21 7343467 FDDUYPURTAZULR-UHFFFAOYSA-N 347.443 4.457 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 7650806 BJESLVDNAHDELQ-AWEZNQCLSA-N 349.789 4.155 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)cc1 8085524 QAPCMUIXGOLRBT-KRWDZBQOSA-N 330.453 4.142 0 40 EIAB CCOc1cc(CNCCOC)ccc1OCc1ccccc1Cl 8254693 RUQQWFQPLCLTEA-UHFFFAOYSA-N 349.858 4.054 0 40 EIAB FC(F)(F)c1cc(-c2ccco2)nc2c1cnn2Cc1cccnc1 8342525 BVWWOZAZQCDCPZ-UHFFFAOYSA-N 344.296 4.153 0 40 EIAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc2ccccc2o1 9170190 ZYEKGDHDVRWBLX-UHFFFAOYSA-N 345.314 4.481 0 40 EIAB COc1ccc(/C=C(/C(=O)N2CCC[C@H](C)C2)c2ccccc2)cc1 10541069 YSGGIVYPVYKEFE-LBSLPOPVSA-N 335.447 4.494 0 40 EIAB O=C(Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)C1CC1 12389770 ZJVWMXVYYHCPPC-UHFFFAOYSA-N 339.778 4.462 0 40 EIAB biogenic O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccccc1 12531702 UCLUUNWEBWNLLJ-UHFFFAOYSA-N 341.414 4.266 0 40 EIAB COc1cccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccco3)C2)c1 13128637 KPECWVAFTGRHHL-LJQANCHMSA-N 346.386 4.280 0 40 EIAB Cc1cccc2cc(CN(C(=O)C(C)C)c3ccccc3)c(=O)[nH]c12 13788270 BFVLZPVVUXUSER-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB C[C@H]1CCN(C(=O)c2cnc3ccccc3n2)c2ccccc2S1 14166535 ZPALBKXUWPXLLC-ZDUSSCGKSA-N 335.432 4.161 0 40 EIAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1nnc(-c2ccccc2)o1 15507042 SXQXZRHWNSEDOP-CQSZACIVSA-N 348.406 4.037 0 40 EIAB CCC(=O)c1ccc(OC[C@H](O)CN2C(C)(C)CCCC2(C)C)cc1 16739462 SJOWHVXZXVMLII-QGZVFWFLSA-N 347.499 4.062 0 40 EIAB CC(C)c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 20034573 BWUVVDAHQBMNFT-UHFFFAOYSA-N 336.804 4.189 0 40 EIAB Cc1ccc(OCCCC(=O)NCc2ccc(OC(C)C)cc2)cc1 20107419 LIYOANGSLFKVNJ-UHFFFAOYSA-N 341.451 4.258 0 40 EIAB CCc1nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2s1 22254779 JSTPJGHJNHODOH-UHFFFAOYSA-N 342.420 4.128 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 22521406 LBWNMHKFVBYJSM-OAHLLOKOSA-N 325.452 4.413 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cs1 23135852 IHCUOXNEDHQEPY-UHFFFAOYSA-N 337.448 4.437 0 40 EIAB CC(=O)N(c1nnc(S[C@@H](C)c2ccc(F)cc2)s1)C1CC1 25772396 XBXQIGQFVQESJX-VIFPVBQESA-N 337.445 4.046 0 40 EIAB COc1ccccc1[C@H](C)N(C)CCC(=O)Nc1ccccc1Cl 26334717 VSIBVZDRBWHSPF-AWEZNQCLSA-N 346.858 4.370 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccccc2Cl)c1 28306025 KAMRZPFKBHYJBS-NSHDSACASA-N 334.803 4.240 0 40 EIAB O=C1CSC(=O)N1c1nc(-c2ccccc2)oc1-c1ccccc1 28405747 ZOJYBJVGMKNZHX-UHFFFAOYSA-N 336.372 4.208 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 30872062 RDHJKHUCFQPPRS-JKSUJKDBSA-N 327.424 4.038 0 40 EIAB COC(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 32396475 FPCGVJQKOBSTAH-QGZVFWFLSA-N 343.448 4.196 0 40 EIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc2ccccc12 32721272 ZYEWZWRPWNWQIS-QFIPXVFZSA-N 344.458 4.407 0 40 EIAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(C)c1O 34897196 INZNNKCMTNMUIY-GDNBJRDFSA-N 325.389 4.250 0 40 EIAB COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)O)cc2c1 38342477 WYCWYJSWJWFDRO-UHFFFAOYSA-N 344.370 4.399 0 40 EIAB in-vitro COc1ccc(Cl)cc1NC(=O)NCC1(c2cccs2)CC1 38593170 MIMFRRKDQMQTRB-UHFFFAOYSA-N 336.844 4.263 0 40 EIAB CCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(C)ccc21 38652375 YZYWVVKJQMHDKP-UHFFFAOYSA-N 331.375 4.047 0 40 EIAB NC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1 41127400 LGPAXJDTQFQMTO-UHFFFAOYSA-N 328.371 4.190 0 40 EIAB Cc1nnc(SCCOc2ccccc2Cl)n1-c1ccccc1 49582783 LXUWLWFKQXJPOA-UHFFFAOYSA-N 345.855 4.400 0 40 EIAB O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ccccc2)CC1 58366634 MSFYUHYDKWPKIO-QFIPXVFZSA-N 348.490 4.057 0 40 EIAB Cc1noc(C)c1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 63447550 MGEPMUBTSNVFLH-UHFFFAOYSA-N 349.749 4.300 0 40 EIAB O=C(CCc1ccc2c(c1)CCO2)Nc1cccc(C(F)(F)F)c1 68741224 IEVBHNHREPJHTE-UHFFFAOYSA-N 335.325 4.212 0 40 EIAB COc1ccc(-c2nc3cc(C)cc(N)c3o2)cc1Br 70461446 OBJZAZVXMNLPAE-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H](C)Cc1ccsc1 72311343 NWSDVXBIRUQOKN-CYBMUJFWSA-N 326.465 4.170 0 40 EIAB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2ccccc2)cc1 72313273 BCNRYPZRWMBNLU-UHFFFAOYSA-N 343.492 4.304 0 40 EIAB C[C@H]1Oc2c(C(=O)Nc3ccc(-n4ccnc4)cc3)cccc2[C@H]1C 73751940 DWIZTOFITVJIHR-UONOGXRCSA-N 333.391 4.009 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)N(Cc1ccc(F)cc1F)C1CC1 84452461 MQEDWTKEUNKOPU-UHFFFAOYSA-N 341.401 4.187 0 40 EIAB O=C1C[C@H](c2ccccc2Cl)Cc2nc(Br)sc21 85389941 ZYQGUGPUIQCHMG-SSDOTTSWSA-N 342.645 4.472 0 40 EIAB C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@H]1COc2ccccc21 89894422 OIISKFOLMPAOMA-SUMWQHHRSA-N 349.390 4.028 0 40 EIAB CC1(OCC(=O)Nc2cccc(Cl)c2Oc2cccnc2)CCC1 89919241 JBVYGKPZIVHUDJ-UHFFFAOYSA-N 346.814 4.425 0 40 EIAB c1ccc(CO[C@H]2COC3(CCN(Cc4ccsc4)CC3)C2)cc1 96047848 RLZFCOIUXSHENL-LJQANCHMSA-N 343.492 4.088 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 107100935 WVLUDFTWPBAGMO-UHFFFAOYSA-N 345.826 4.036 0 40 EIAB COC[C@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3CC[C@@H]2CC1=O 118930974 WACMAERIMWMBMZ-JNIHKJRRSA-N 348.527 4.222 0 40 EIAB CCCCC[C@H](O)/C=C\[C@H]1CC[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 205204735 YRFLKMLJQWGIIZ-OJHULLPISA-N 338.488 4.072 0 40 EIAB O=C(COc1cccc2ccccc12)NCCSC1CCCCC1 218909556 JJVQVOITTJQHPF-UHFFFAOYSA-N 343.492 4.401 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COc1ccccc1C 219594583 MPCONXLBHRDYPC-PKOBYXMFSA-N 341.451 4.045 0 40 EIAB CSc1nnc(NC(=O)/C(=C/c2ccco2)c2ccccc2)s1 222705969 LTIGCSJLGBXHEV-JLHYYAGUSA-N 343.433 4.032 0 40 EIAB CC[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223126288 FGSRCVYPQVEXIA-HXUWFJFHSA-N 341.426 4.351 0 40 EIAB CCc1ccc(CC)c(CNC(=O)CCCOc2ccccc2)c1 223295861 KUWREGUMFFPPSV-UHFFFAOYSA-N 325.452 4.287 0 40 EIAB COc1ccccc1NC(=O)NCCOc1cccc2ccccc12 223579935 CTVUZHCKFCVPMC-UHFFFAOYSA-N 336.391 4.049 0 40 EIAB CCOCc1cc(C(=O)Nc2c(F)cccc2F)ccc1OCC 224695854 AHSWDSSPAYYJPP-UHFFFAOYSA-N 335.350 4.152 0 40 EIAB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 225043698 LHMRHNOLFMFIAE-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB Cc1c(Cl)cccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225070706 ZKUGFZGFKWWGIW-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB COc1ccccc1NC(=O)NCCSCc1ccccc1C 225766198 FITAWPBKOIJEHW-UHFFFAOYSA-N 330.453 4.059 0 40 EIAB CCN(CC)c1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 226260426 AXUFLZQRSZOQSN-KPKJPENVSA-N 343.858 4.420 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2Cl)c(Cl)c1 227158509 WNKKRZMJVLCLIX-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(C)c3C)N21 260756008 CWAUEIIJYLWWCO-OLMNPRSZSA-N 340.496 4.016 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccn(C(C)C)c3)N21 260775217 PUBOYEXAIIQHAV-NJAFHUGGSA-N 340.496 4.443 0 40 EIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 390831612 SWLMRPQYDFRTQO-GOSISDBHSA-N 344.524 4.404 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@H]1c1ccccc1 565873770 ZXGFGKFVJPDTOP-RBUKOAKNSA-N 345.446 4.277 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001305 KNBJHKHWQJVYSQ-GJZGRUSLSA-N 336.357 4.348 0 40 EIAB O=C(N[C@@H]1C[C@H](c2ccc(F)cc2)O[C@@H]2CCC[C@@H]12)c1ccccc1 2037844546 WWXROMUEDJMJAT-MTQWCTHYSA-N 339.410 4.254 0 40 EIAB CCN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 34183 OFUMMVWXZVSCDV-UHFFFAOYSA-N 332.451 4.120 0 40 EIAB Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)cc1 137129 SXCHFAQGMVSWLH-HZPDHXFCSA-N 333.435 4.219 0 40 EIAB COc1ccc(-n2ncc3c(Nc4cc(C)cc(C)c4)ncnc32)cc1 426391 BYALIOJHDUSAJW-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CCc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 571984 DYEKXSBMZDIQSD-UHFFFAOYSA-N 330.387 4.001 0 40 EIAB O=C1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 1624033 FNCDHQKMLISAQE-NRFANRHFSA-N 330.383 4.245 0 40 EIAB Cc1ccc(NC(=S)NCC2(N3CCCCC3)CCCCC2)cc1 3358219 ASHFGTGOSXXVMD-UHFFFAOYSA-N 345.556 4.470 0 40 EIAB Nc1c(C=Cc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 3844998 PXKGYNFOQKCZPM-UHFFFAOYSA-N 325.367 4.215 0 40 EIAB biogenic O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccccc1F 3906479 MRDBYTPEZKNLNT-UHFFFAOYSA-N 331.350 4.393 0 40 EIAB O=C(Nc1ccccc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4248105 XKZPLYGSIUAMQJ-FQEVSTJZSA-N 343.382 4.393 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1 4715686 NERZNHLAWIVQQE-UHFFFAOYSA-N 347.212 4.050 0 40 EIAB COc1ccc(Nc2c(-c3ccc(OC)cc3)nc3ncccn23)cc1 4735171 HGVKGZKKGIZWGG-UHFFFAOYSA-N 346.390 4.157 0 40 EIAB COc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1Cl 4942951 GLDJGAKFEPPVOA-UHFFFAOYSA-N 328.799 4.293 0 40 EIAB Cc1ccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 6087293 WIZNKPKYTRPKQH-UHFFFAOYSA-N 349.217 4.091 0 40 EIAB O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(F)cc1 6416364 DSRWIRKCAHLNBS-UHFFFAOYSA-N 339.391 4.198 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccnc1 7146975 QLUVBCBSHZQJAP-HNNXBMFYSA-N 344.480 4.169 0 40 EIAB CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(Cl)s3)n2)cc1 7148516 OTDPYWFXAMNMCD-UHFFFAOYSA-N 346.843 4.061 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](C)C3CC3)cccc2c1=O 8327839 YDGDLLRPILTZNN-CQSZACIVSA-N 347.414 4.297 0 40 EIAB O=C(CSc1cc(=O)oc2ccccc12)Nc1ccccc1Cl 8716911 GENCPJVOJMXBOV-UHFFFAOYSA-N 345.807 4.177 0 40 EIAB O=C(CN1CCc2sccc2C1)Nc1ccc(Cl)cc1Cl 10341080 JLQXIVBDGHFHPU-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 10372008 ZUGVKPHOGUYEKL-UHFFFAOYSA-N 338.451 4.322 0 40 EIAB CCN1C=C(c2csc(C)n2)[C@H](c2ccc(Cl)cc2)NC1=O 12321264 MTCWXQUHJZWVQT-HNNXBMFYSA-N 333.844 4.232 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1 12619067 RBIWEDBVMSIJBQ-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(F)ccc1F 12740889 NHAZLNKLVBOSMZ-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB CCn1c(SCc2nc(-c3cccs3)oc2C)nnc1C1CC1 12769012 RZFVRUZTMKLEIN-UHFFFAOYSA-N 346.481 4.493 0 40 EIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc2ccccc2oc1=O 12982832 GQVPKIQTCTZIIM-GFCCVEGCSA-N 341.794 4.280 0 40 EIAB Cc1sc2ncnc(Sc3nc(CC4CCCC4)n[nH]3)c2c1C 14321403 GNERQBBWWKHXQK-UHFFFAOYSA-N 345.497 4.310 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 14908615 XTPJWPKNKQBYFX-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB Cc1ccccc1OCCN(C)C(=O)N[C@H](C)CCc1ccccc1 17116364 DUCVOJTWTDTDSC-GOSISDBHSA-N 340.467 4.037 0 40 EIAB COc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 20238774 YUTONSAAUIEPIK-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(Cl)c1 20373251 FJYQVFUIHOGQEB-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB Cc1noc(C)c1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 21832166 NPZUBVRUSDTYTI-UHFFFAOYSA-N 346.390 4.167 0 40 EIAB Cc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 22504250 BDTBSSZNOQTHBE-UHFFFAOYSA-N 349.434 4.328 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 22520722 RSSXWGGBEWNDHY-CYBMUJFWSA-N 345.464 4.386 0 40 EIAB Cc1ccc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)cn1 23465183 ZPPGCTBJWKLKGB-UHFFFAOYSA-N 330.431 4.126 0 40 EIAB Cc1cc(=O)oc2cc(OCc3ccc(F)c4cccnc34)ccc12 24569644 KBSZVMARPINJCY-UHFFFAOYSA-N 335.334 4.368 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc3c(C)c(C)[nH]c23)c1 24914076 RVBLLIJVLJSMIF-CQSZACIVSA-N 349.434 4.234 0 40 EIAB CCCCc1noc([C@H](C)Sc2nccc(C(F)(F)F)n2)n1 32761088 PZEGLNLZEBKXKQ-QMMMGPOBSA-N 332.351 4.074 0 40 EIAB CCN(Cc1ccccc1Cl)C(=O)Cc1noc2ccccc12 45450847 QBBBIUZQCYYMHK-UHFFFAOYSA-N 328.799 4.072 0 40 EIAB CCCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 49179287 RBSGZSFLXRUMGY-QGZVFWFLSA-N 332.241 4.455 0 40 EIAB COc1cc(NCc2c(C)noc2C)ccc1NC(=O)OC(C)(C)C 55865959 JIBDGZXNTRHVOW-UHFFFAOYSA-N 347.415 4.259 0 40 EIAB Cc1noc(Cl)c1CCC(=O)N[C@@H](CC(C)C)c1ccccc1 58015881 GLOXWAFYNKUNSF-INIZCTEOSA-N 334.847 4.473 0 40 EIAB COc1cccc(C[C@@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 58424068 WDPPDHWKBUEPGW-NRFANRHFSA-N 347.462 4.088 0 40 EIAB O=C(CCOc1ccccc1-c1ccccc1)N1CCCSCC1 61897244 JXVGTHZSAVBINC-UHFFFAOYSA-N 341.476 4.088 0 40 EIAB CC1CCN(CCNC(=O)c2ccc(-c3ccccc3F)s2)CC1 71941712 CHJBDGBFGSTCBQ-UHFFFAOYSA-N 346.471 4.016 0 40 EIAB COc1cccc(NC(=O)N2CCC(c3cccs3)CC2)c1OC 75157088 RKANXURJTOKGFU-UHFFFAOYSA-N 346.452 4.177 0 40 EIAB O=C(N[C@H]1CCCc2occc21)N[C@@H](c1ccccc1)c1ccncc1 89827674 BMNAFHZMYQFYJH-ICSRJNTNSA-N 347.418 4.141 0 40 EIAB C[C@@H](c1ccco1)N(C(=O)c1cnc(-c2ccncc2)s1)C1CC1 95401177 KZLOZFMLPPRDQO-LBPRGKRZSA-N 339.420 4.164 0 40 EIAB CCS[C@@H]1CCCC[C@H]1NCc1nc(CCc2ccccc2)no1 97165596 WUMJHCRAWFMXRZ-IAGOWNOFSA-N 345.512 4.009 0 40 EIAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C[C@H](c2ccco2)C1 102744011 AHOFYAJZRCKICY-YVEFUNNKSA-N 348.362 4.292 0 40 EIAB CC(C)(C)OC(=O)Nc1cccc(OC(F)(F)F)c1[Si](C)(C)C 196034445 DVPGOOYYHIITRB-UHFFFAOYSA-N 349.425 4.477 0 40 EIAB Fc1cc(F)cc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1 199800756 UDSYOPSUVZVRMB-UHFFFAOYSA-N 339.777 4.291 0 40 EIAB COc1cccc2cc(-c3nnc(-c4ccc(F)cc4)o3)c(C)nc12 216605278 HFJCNGPTIRJBRA-UHFFFAOYSA-N 335.338 4.408 0 40 EIAB Cc1cc(C)c2c3c(c(=O)oc2c1C)[C@@H](c1ccccc1)CC(=O)O3 226763022 VYROLMIHXWVQHZ-OAHLLOKOSA-N 334.371 4.159 0 40 EIAB Cc1ccc2nc([C@@H]3CCCN3c3nc4cccc(F)c4o3)[nH]c2c1 624032405 KNUSKGDZJAWVAZ-INIZCTEOSA-N 336.370 4.493 0 40 EIAB Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)O[C@H](C)C2)c1F 1551360039 VQKIDQDJRYHWGV-CRAIPNDOSA-N 327.399 4.126 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)ccc1C)NCC2 34555 BQUZKRJMXYYSDY-OAQYLSRUSA-N 325.452 4.336 0 40 EIAB CC(C)N(Cc1ccccc1)C(=O)NC(=O)c1ccc(Cl)cc1 81908 QCAPVMOXVUFTCH-UHFFFAOYSA-N 330.815 4.100 0 40 EIAB COc1cc(/C=C/C(=O)Nc2ccccc2F)ccc1OC(C)C 148955 FSHFDMGXAGDFBK-PKNBQFBNSA-N 329.371 4.273 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCC(C)CC1 413591 ZBKSCOADTNZJPE-UHFFFAOYSA-N 342.508 4.456 0 40 EIAB CC(C)Cn1cnc2c(SCc3ccc(Cl)cc3)nc(N)nc21 1676150 ZKOICSACMUVLOK-UHFFFAOYSA-N 347.875 4.010 0 40 EIAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 3620150 OTZVVPORQNTIMH-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COc1ccc(Nc2cc(Nc3cc(C)ccc3OC)ncn2)cc1 6793963 QHUXVXOLIWJNKA-UHFFFAOYSA-N 336.395 4.289 0 40 EIAB O=C(CSc1ccc(-c2cccs2)nn1)Nc1cccc(F)c1 6859022 JKIVSLZFNNIADH-UHFFFAOYSA-N 345.424 4.075 0 40 EIAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 7308972 IJJFDLAIHWZLFF-QMMMGPOBSA-N 336.265 4.094 0 40 EIAB Cn1c(SCc2csc(-c3ccsc3)n2)nnc1C1CC1 7644617 HYHXRMYDUKBBBN-UHFFFAOYSA-N 334.495 4.170 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F 7946770 CPICGQMQAMFITE-UHFFFAOYSA-N 348.849 4.251 0 40 EIAB CCOc1ccc(NC(=O)CCSc2ccccc2)cc1OC 7976058 CZJLRIXEVJKQAQ-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(Br)s1 8276394 FRRAYDLVDBPFGJ-URGSKGIXSA-N 328.275 4.219 0 40 EIAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 8291163 BACFCNPGWPLZDN-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB Cc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccccc3)c2s1 8955059 NXCKNHNHFUEAOL-UHFFFAOYSA-N 347.443 4.071 0 40 EIAB CCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)s1 8986787 OAIPKYLLPZNQMY-UHFFFAOYSA-N 333.438 4.291 0 40 EIAB Oc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)c(O)c1 9496940 MJMLQJZOBSQNBQ-UHFFFAOYSA-N 340.429 4.422 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 11206826 HXDXLAWJPRYBAQ-UGSOOPFHSA-N 329.827 4.375 0 40 EIAB CCOc1cccc2s/c(=N/C(=O)c3cccc(C)c3)n(CC)c12 12378112 NFAHJFYMSMXRBD-FMQUCBEESA-N 340.448 4.171 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12530761 ZXMBDRGAYPXLAV-HNNXBMFYSA-N 349.434 4.007 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 12752372 CXJMDTRXORMHBP-CYBMUJFWSA-N 330.453 4.020 0 40 EIAB CCOC(=O)Nc1nc(CC(=O)Nc2ccccc2C(C)C)cs1 12881639 ZLFYNYSUZLCEJY-UHFFFAOYSA-N 347.440 4.016 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 12938062 MWKLIOMKWNXSKD-HNNXBMFYSA-N 345.826 4.459 0 40 EIAB COc1ccccc1NC(=O)CCN(C)Cc1ccc(C(C)C)cc1 12940791 KCBKXLOQOPDZKW-UHFFFAOYSA-N 340.467 4.279 0 40 EIAB Cc1nc2ccccc2nc1SCc1noc(-c2cccs2)n1 12948252 MWJQKGDVIMRFFE-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 13014692 KIIOMZVUVAOPIF-CQSZACIVSA-N 348.855 4.035 0 40 EIAB COc1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 13727385 ZOARZNOTYBNDMH-UHFFFAOYSA-N 336.269 4.311 0 40 EIAB CC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)N=C3O)o2)c1 16322035 DUMITMSQFCHZHK-ZSOIEALJSA-N 329.402 4.478 0 40 EIAB COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)cc1 16440212 FRHLHMGAVWKJDH-XNTDXEJSSA-N 344.823 4.431 0 40 EIAB S=C(c1nc2ccccc2nc1-c1ccccc1)N1CCCCC1 16492009 MVOSMUBTIZSFGI-UHFFFAOYSA-N 333.460 4.458 0 40 EIAB FC(F)(F)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 17071181 RQVBZPRYAABNNQ-UHFFFAOYSA-N 340.326 4.243 0 40 EIAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCC[C@H](C)C3)ncnc21 17121517 LUPOCCFKHGPJDX-LBPRGKRZSA-N 341.846 4.014 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1Cl 20490740 VGTFBEBXUGEUFA-KRWDZBQOSA-N 331.843 4.431 0 40 EIAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NC2CCCC2)c(C)c1 20983219 YUNNEHLKTZOSBR-OAHLLOKOSA-N 343.496 4.029 0 40 EIAB Cc1ccc(Cn2nc(C)c(C(=O)N(C)c3ccccc3)c2C)cc1 21555402 VTXLOULZNJSCRM-UHFFFAOYSA-N 333.435 4.133 0 40 EIAB CN(C)Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 23899123 HDVGUNXETADROK-UHFFFAOYSA-N 328.481 4.331 0 40 EIAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nnc(-c2ccccc2)o1 24250369 ITWMBWHCCASCCZ-GFCCVEGCSA-N 329.350 4.208 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(F)cc2)[nH]n1 24964966 DKZIYBXPLCHFBH-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc2ncsc2c1 24990112 GKJKSCPMBLFDNE-WDEREUQCSA-N 328.359 4.147 0 40 EIAB Cc1nc2cc(NC(=O)c3csc(Cc4ccccc4)n3)ccc2o1 31531370 RMZBEVJTFKCMKO-UHFFFAOYSA-N 349.415 4.436 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc2ccccc2c1 38755740 CYYWQYIUOBDTDL-INIZCTEOSA-N 349.430 4.322 0 40 EIAB CN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 40049952 UMLLBKQBIAYUPD-KRWDZBQOSA-N 333.353 4.394 0 40 EIAB CC(C)c1cccc(OCC(=O)Nc2ccnn2C2CCCC2)c1 40068575 WKTSLWMKSLICFO-UHFFFAOYSA-N 327.428 4.139 0 40 EIAB COc1cccc(NC(=O)Nc2ccc(Br)c(C)c2)c1 41064350 OHJCWCIKAZMPMR-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2c(c1)CCCC2 51529169 VSNCBIZTSAWYHQ-UHFFFAOYSA-N 348.446 4.054 0 40 EIAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3 57122045 JUMRFNMDDWDZOJ-UHFFFAOYSA-N 327.424 4.148 0 40 EIAB O=C(NCC1(c2ccccc2)CCC1)c1csc(-c2ccco2)n1 58061394 RGKKSKYGDAIOLL-UHFFFAOYSA-N 338.432 4.255 0 40 EIAB CCOCCCNC(=O)c1ccc(CSc2ccccc2)cc1 58133299 XPOYYPBMRARDIK-UHFFFAOYSA-N 329.465 4.135 0 40 EIAB CS[C@@H](C)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 58184770 GKBPIWYSHDKJAZ-YVEFUNNKSA-N 335.419 4.116 0 40 EIAB C[C@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 58428613 KQBFEYGNARGRLA-AWEZNQCLSA-N 332.444 4.296 0 40 EIAB CCC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 61306807 BALWLJHUOWKFRV-GFCCVEGCSA-N 340.261 4.197 0 40 EIAB COc1cc(C2SCCS2)ccc1OCc1c(C)noc1C 66059542 GWJAQXQIWGJLPD-UHFFFAOYSA-N 337.466 4.358 0 40 EIAB Cc1ccc(C2(CNc3snc(Cl)c3C#N)CCOCC2)cc1 68765708 MATHKKSOCIAHDU-UHFFFAOYSA-N 347.871 4.137 0 40 EIAB Cc1c(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cnn1C 69518280 IDRNFAPCMQVSNQ-UHFFFAOYSA-N 343.789 4.440 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2F)c1 71326071 CHFCNYGVQXIIEU-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CSc1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)cc1 72294174 MPPMOVXKWZOPLL-QGZVFWFLSA-N 330.453 4.044 0 40 EIAB CCc1cc2c(N[C@H](CC)[C@H](O)c3ccccc3F)ncnc2s1 72304144 DPUCJKPCUQBSID-HZPDHXFCSA-N 345.443 4.317 0 40 EIAB CCCCO[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C 72311071 LDNZDFORIZAXHW-IAGOWNOFSA-N 343.471 4.152 0 40 EIAB Clc1cc(CN2CC[C@H](c3ccccc3)C2)cc2c1OCCO2 84525546 QRXYHRNAZWUYMO-INIZCTEOSA-N 329.827 4.101 0 40 EIAB C[C@H](NCc1csc(-c2cnn(C)c2)n1)c1ccccc1Cl 84660587 XSOIWFHTRKGSSH-NSHDSACASA-N 332.860 4.048 0 40 EIAB CCN(CC)c1ccc(-c2nnc(S[C@@H]3CCCCC3=O)o2)cc1 84774025 CBHLRYTZYHFSRP-MRXNPFEDSA-N 345.468 4.187 0 40 EIAB Cc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)c(C)n1C1CC1 85292805 GAFUUWUPGSBSCS-UHFFFAOYSA-N 348.406 4.274 0 40 EIAB CCn1cc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)cn1 95449721 VQKBNODYTLTUKZ-IBGZPJMESA-N 325.456 4.394 0 40 EIAB CC(C)C(=O)Nc1ccc(N[C@H](C)c2ccc([S@](C)=O)cc2)cc1 95990523 DMBIXYFZXSHCFJ-JBEBIEQOSA-N 344.480 4.192 0 40 EIAB Cc1ncc([C@@H](C)NCc2ccnc(OC3CCCCC3)c2)c(C)n1 97016714 OUUHHJAXWSOZOP-CQSZACIVSA-N 340.471 4.051 0 40 EIAB CCn1c([C@H](C)N[C@@H](C)Cc2ccc(F)cc2)nc2ccccc21 97032874 AJERHQAKKGVZLF-GJZGRUSLSA-N 325.431 4.477 0 40 EIAB Clc1cccc([C@@H]2C=C(c3ccccc3)Nc3nnnn32)c1Cl 101151718 GMVMEMYRTOJXAZ-AWEZNQCLSA-N 344.205 4.036 0 40 EIAB Fc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 102568524 ZEINYODGJMZVMN-MRXNPFEDSA-N 326.762 4.127 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)C1 216265669 RLTXJOQHEGWIMG-AWEZNQCLSA-N 344.405 4.449 0 40 EIAB CCOc1ccc(C(N)=O)cc1COc1ccc(-c2ccccc2)cc1 224550427 YXQOROYEQCYZPJ-UHFFFAOYSA-N 347.414 4.430 0 40 EIAB Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 224639756 FYMSLEDHEHZHKO-UHFFFAOYSA-N 325.452 4.453 0 40 EIAB CCOc1ccccc1NC(=S)NCCCc1ccc(C)cc1 225387001 NXJZHRGDWAIQJB-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)c1 225727199 FFPDOQMCVIKSGQ-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(C(F)(F)F)c1 225812003 LGJWVBNEYNPHEY-GFCCVEGCSA-N 335.325 4.062 0 40 EIAB COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1nnc(C(C)C)o1 285360179 FDSXPMQCOPPKEQ-GDBMZVCRSA-N 329.444 4.175 0 40 EIAB C[C@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc3ccccc23)CC1 300536 XCNCPQPAEDAPFL-UWJYYQICSA-N 336.479 4.176 0 40 EIAB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)n1 342027 MBDKMTNWROYAPG-UHFFFAOYSA-N 347.443 4.184 0 40 EIAB COc1cc2c(cc1OC)-c1cs/c(=N\c3ccccc3)n1CC2 399020 PVJKFYVCQJDRJA-VXPUYCOJSA-N 338.432 4.022 0 40 EIAB COc1cc(Cl)c(CC(=O)c2c[nH]c3ccccc23)cc1OC 1686467 ODTNOZBHVIUBQB-UHFFFAOYSA-N 329.783 4.264 0 40 EIAB in-vitro CCc1nc(Nc2cccc(C)c2)c2cnn(-c3ccccc3)c2n1 1718489 WEQHHRXQAPVUQR-UHFFFAOYSA-N 329.407 4.430 0 40 EIAB CC(C)c1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 1773656 XVYWKWYRXAGDKT-UHFFFAOYSA-N 339.848 4.113 0 40 EIAB CCN(CC)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 3306604 FHUBFDGLPVMFDG-UHFFFAOYSA-N 332.831 4.204 0 40 EIAB COc1ccccc1/C=C/C(=O)OCC(=O)c1cc(C)c(C)cc1C 3333320 CUCOYVWZHBWJHW-MDZDMXLPSA-N 338.403 4.060 0 40 EIAB CN(Cc1cccc(Cl)c1)Cn1nc(-c2ccco2)oc1=S 3353326 MSQVUBKOTGFGEX-UHFFFAOYSA-N 335.816 4.208 0 40 EIAB CC(=O)c1cccc(OCCCCOc2cccc(C(C)=O)c2)c1 3388060 HSVRIPQAWOBSIT-UHFFFAOYSA-N 326.392 4.330 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1c(F)cccc1F 4166965 OIABQZYIVHFWLY-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB Cc1cc(C(=O)NCc2ccc(-n3cccc3)cc2)c2ccccc2n1 4708139 UMCUDUDYARDRRU-UHFFFAOYSA-N 341.414 4.264 0 40 EIAB COc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 4744408 VOGXXEJFUJNQMZ-UHFFFAOYSA-N 343.452 4.223 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Br)cn2)c(Cl)c1 5895530 GBVHROBROOZAQM-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB O=C(Nc1nc(-c2cccs2)cs1)c1n[nH]c2ccccc12 7138351 DYMLVEMNGPTEIK-UHFFFAOYSA-N 326.406 4.000 0 40 EIAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 7386008 GVLDSEQXKJISGZ-TUAOUCFPSA-N 329.271 4.298 0 40 EIAB CSc1cccc(Nc2ncc(F)c(N3CCC(C)CC3)n2)c1 7460655 KNCCJYKWLXAINH-UHFFFAOYSA-N 332.448 4.318 0 40 EIAB CCCCc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 7504969 KXTPKOVMJALVOJ-UHFFFAOYSA-N 338.451 4.118 0 40 EIAB COc1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 7526100 RZZNLJZWUWZDMS-UHFFFAOYSA-N 340.492 4.347 0 40 EIAB CC(=O)NCc1ccc(-c2csc(COc3ccccc3)n2)cc1 8042365 YMWCYRBACOMPQE-UHFFFAOYSA-N 338.432 4.025 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(Cl)ccc1OC 8496121 PWSVULHRORSDOJ-MRXNPFEDSA-N 333.815 4.453 0 40 EIAB O=C(CCN1CCSC1=O)Nc1ccc2oc3ccccc3c2c1 9058013 PFHLKRQSUZTFTP-UHFFFAOYSA-N 340.404 4.083 0 40 EIAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)cc1Cl 10310981 RNSUTFSTMOQXNR-GOSISDBHSA-N 328.843 4.424 0 40 EIAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1COc2ccccc2O1 12274764 AJHIXOSLPCJWMN-HXUWFJFHSA-N 346.386 4.209 0 40 EIAB Cc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)o1 12462522 QGVRQSQNPBPTDM-UHFFFAOYSA-N 346.393 4.042 0 40 EIAB Cc1ccccc1-c1noc(CSc2nc(C)c(C)c(C)n2)n1 12617944 RCJCYIQVHZECCW-UHFFFAOYSA-N 326.425 4.053 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 12856721 DWNZTBPMSKXMNZ-ZBEGNZNMSA-N 349.402 4.085 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 12924682 TVNMGOYEUHPSEM-INIZCTEOSA-N 336.218 4.392 0 40 EIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)cc1 12942214 MPOHJPZOZDHLBR-HXUWFJFHSA-N 338.451 4.088 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1cccc(OCc2cscn2)c1 12972339 DFCOJYBDQFIXMQ-UHFFFAOYSA-N 346.358 4.253 0 40 EIAB Cn1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 14087532 YFALZXGEMYXUNH-UHFFFAOYSA-N 345.855 4.340 0 40 EIAB C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 15085210 UJBJCNMGWPCYBR-ZWNOBZJWSA-N 341.432 4.076 0 40 EIAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(C)c(C)c1 15860745 WFSPXXLGNZXKKH-KRWDZBQOSA-N 338.451 4.046 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1 16301362 NQJXVJHHERBCEM-UHFFFAOYSA-N 336.338 4.245 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 16780257 JCMZJSREDHXIFR-OAHLLOKOSA-N 345.464 4.005 0 40 EIAB CCCN(CCC)c1ncnc2c1cnn2-c1cccc(Cl)c1 17271717 JQWHWQCVHDCZAA-UHFFFAOYSA-N 329.835 4.095 0 40 EIAB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1 20550314 ZUCQAMIRQJTNJN-UHFFFAOYSA-N 339.464 4.428 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1C 20899446 OSXPAHLXWPJHDU-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB O=C(Nc1cccc(F)c1)c1ccccc1NC(=O)[C@@H]1CC=CCC1 25045041 LYBXFMCGLXOGRB-CQSZACIVSA-N 338.382 4.373 0 40 EIAB CC(=O)[C@@H](Cc1ccc(Br)cc1)C(=O)c1ccccc1 25247237 VMPAGJVEGROIQD-MRXNPFEDSA-N 331.209 4.080 0 40 EIAB Cc1ccc(-c2csc3ncnc(NCCCn4cccn4)c23)cc1 30517780 GCULPIOALRJDTB-UHFFFAOYSA-N 349.463 4.365 0 40 EIAB COc1cccc(CCCNC(=O)c2cc3ccccc3cc2OC)c1 30757422 JUNGCQIADYABBL-UHFFFAOYSA-N 349.430 4.220 0 40 EIAB Cc1sc2nc(SC[C@@H]3CC3(Cl)Cl)nc(N)c2c1C 31822700 IXBKREKJXWFBDW-ZETCQYMHSA-N 334.297 4.176 0 40 EIAB O=C(c1c(F)cccc1F)N(Cc1ccc2[nH]ccc2c1)C1CC1 32070579 HZWQWPJFCDAHLZ-UHFFFAOYSA-N 326.346 4.251 0 40 EIAB C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1Br 32480246 BOCLIDSYOMIXMA-NSHDSACASA-N 343.224 4.421 0 40 EIAB O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCc2ccccc2C1 32873945 MTFSIQFNKQUEQA-KRWDZBQOSA-N 342.439 4.131 0 40 EIAB O=C(O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 35630172 JGSFCKHPCIOJSQ-UHFFFAOYSA-N 335.203 4.484 0 40 EIAB CCN(CC)c1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 36618565 CNNYNUVJQSLFSA-UHFFFAOYSA-N 325.334 4.017 0 40 EIAB O=C(CN1CCCCC1)Nc1ccc(Sc2ccccc2)cc1 36644036 SQYVHIATFNXQHE-UHFFFAOYSA-N 326.465 4.262 0 40 EIAB CC(C)c1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1 40024059 LDPLVGKBJBUNOT-UHFFFAOYSA-N 348.450 4.377 0 40 EIAB Cc1cc(C)c2ccc(NC(=O)c3c(F)cccc3Cl)nc2n1 40818263 ZLSBNVXEKGRCTA-UHFFFAOYSA-N 329.762 4.291 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1csc(-c2ccco2)n1 48204449 TUOUGXWSPMMTKG-UHFFFAOYSA-N 337.360 4.310 0 40 EIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H]1c1ccc(F)cc1 48325358 SIBQZZLRIOZVTP-SFHVURJKSA-N 326.346 4.423 0 40 EIAB COCCCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 49650853 ZRBBTECBWTWVBN-UHFFFAOYSA-N 344.358 4.194 0 40 EIAB Cc1csc2nc(CN[C@@H](c3cccs3)C(C)(C)C)cc(=O)n12 54417289 MIJGQYYIESBNNE-HNNXBMFYSA-N 347.509 4.003 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 59351956 NYVMNHYAICNSBN-YWZLYKJASA-N 341.451 4.292 0 40 EIAB Cc1cccc2c1N[C@H](c1csc(-c3ccsc3)n1)NC2=O 63495443 JXDSVBJRHKGUMK-AWEZNQCLSA-N 327.434 4.034 0 40 EIAB CCCc1noc([C@@H](C)N[C@@H](c2cccnc2)C2CCCCC2)n1 69443380 MGJUPBUIEZSHGX-RDTXWAMCSA-N 328.460 4.389 0 40 EIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1 69679465 RADWUCFYGCKYPE-OALUTQOASA-N 348.450 4.290 0 40 EIAB O=C(NCCCC1(C2OCCO2)CCCCCC1)Nc1ccccc1 72306179 SKYLKWIIJDFEPB-UHFFFAOYSA-N 346.471 4.302 0 40 EIAB CN(C(=O)C[C@H]1C=CCC1)[C@H](c1cccnc1)c1ccc(F)cc1F 78509906 KIKASDIMWZUVLS-VBKZILBWSA-N 342.389 4.264 0 40 EIAB CC1(C)CCc2cc(CC(=O)Nc3cccc4[nH]ccc34)ccc2O1 79191662 MAHLRJLKBQFPRI-UHFFFAOYSA-N 334.419 4.453 0 40 EIAB biogenic CC[C@@H]1CCCCN1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 95348675 ZTLZAZHIMOWUIT-CQSZACIVSA-N 332.835 4.322 0 40 EIAB Cc1nc(-c2ccc(CCN[C@@H](C)C3CCOCC3)s2)cs1 95419564 MUJSKCSQGIMDBN-LBPRGKRZSA-N 336.526 4.127 0 40 EIAB CCN(CC)CCSc1nnc(-c2cccc3ccccc23)o1 95468560 KQYKWFYJXGSJPG-UHFFFAOYSA-N 327.453 4.324 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1F 96402278 ZDPFMJGASHZKJV-DBXWQHBBSA-N 346.405 4.230 0 40 EIAB Cc1cccc(N2CCC(N[C@H](C)c3ccc4ccccc4n3)CC2)n1 96477889 VESCMSXMACLXQU-QGZVFWFLSA-N 346.478 4.258 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)n1c(C)c(C=O)c2ccccc21 216768790 CKZKAOJNUOPURP-UHFFFAOYSA-N 341.794 4.443 0 40 EIAB CSc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558384 SCIYBHMHFWTOKF-AFAVFJNCSA-N 341.505 4.393 0 40 EIAB CCc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222579615 GGFIHQWKDIKOQB-UHFFFAOYSA-N 335.382 4.406 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3OC)N21 222641642 ZDYPNXGLYOKFAH-MORSLUCNSA-N 339.464 4.070 0 40 EIAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc(OC)c(C)c1 222779289 UIWADZACUXHQST-SFHVURJKSA-N 341.451 4.267 0 40 EIAB CCCc1ccc(OCCNC(=O)CCc2ccc(CC)cc2)cc1 224596333 VLSUPLPNSDWVPH-UHFFFAOYSA-N 339.479 4.329 0 40 EIAB Cc1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224926633 XGBCLWAPUGHKNN-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)OCc1ccccc1 225087292 ICIFQDDSSWBECV-OAHLLOKOSA-N 325.191 4.206 0 40 EIAB CC(C)N(Cc1cccn1C)C(=O)c1ccc2nc(Cl)sc2c1 225984703 TYPDYWPSKUQJSE-UHFFFAOYSA-N 347.871 4.339 0 40 EIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](C(=O)O)C3 253389034 HITLMPHPGUZLGI-IVEVATEUSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 408558746 SSISCQNKDOKLFK-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CC[C@H](c1ccc(F)cc1)c1nnc([C@@H]2COc3ccccc3C2)o1 1615546491 OQEJXTZFUNZAFJ-DOTOQJQBSA-N 338.382 4.469 0 40 EIAB Cc1ccc(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 251534 YSHRUGUQDTYBJX-NSHDSACASA-N 337.678 4.266 0 40 EIAB O=C1N(c2cccc(Cl)c2)[C@@H](c2ccc(F)cc2)N2CCCN12 549741 VETMOGSCSAGQCA-INIZCTEOSA-N 331.778 4.041 0 40 EIAB Cc1ccc2oc(-c3ccc(Br)cc3)c(O)c(=O)c2c1 2549354 VYJMNNZFNJEWJN-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C 2632909 MPONUORKLAZGEY-STQMWFEESA-N 349.352 4.451 0 40 EIAB C[C@H]1CCc2c(sc3ncn4c(-c5ccc(F)cc5)nnc4c23)C1 2887017 OPHFBAPJFYBRBK-JTQLQIEISA-N 338.411 4.270 0 40 EIAB Cc1ccc(CN(C)C(=S)Nc2cccc(C(F)(F)F)c2)o1 3328436 BOHRNGALCZEDKX-UHFFFAOYSA-N 328.359 4.436 0 40 EIAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 3342318 BJHIBZUENZCQLH-UHFFFAOYSA-N 326.367 4.064 0 40 EIAB COc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1 3473911 FYUMQHYVDHPMLV-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4082036 DVBAEBPCDUVZPB-CWAYHHJTSA-N 342.479 4.245 0 40 EIAB biogenic CC1=N/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O1 4473580 OHANLYDOOLURFQ-YBEGLDIGSA-N 327.767 4.235 0 40 EIAB CC(C)c1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 4943276 RYMPOCREOHAYFU-UHFFFAOYSA-N 329.252 4.492 0 40 EIAB CCC(=O)C(CCN(CC)CC)(CCN(CC)CC)c1ccccc1 5698971 BHHIYSQGXVJWGB-UHFFFAOYSA-N 346.559 4.367 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c(Cl)c1 5961888 AWWHLHSBNKPJGJ-UHFFFAOYSA-N 330.815 4.495 0 40 EIAB CC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 6342715 AACVHOOZPLTSDN-UHFFFAOYSA-N 325.408 4.339 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 6477291 GDZRGQLJFFDXRJ-KBPBESRZSA-N 346.810 4.230 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nccs2)cc1 7684182 VXNCUSVOXKCQAW-UHFFFAOYSA-N 344.823 4.481 0 40 EIAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1F 7878417 QOMBCYYQVCANRF-SNVBAGLBSA-N 338.835 4.098 0 40 EIAB C[C@H]1CCc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2C1 8185323 NVZIORKRSCNNNF-VIFPVBQESA-N 338.835 4.242 0 40 EIAB CCCCCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 8327483 QDJLUHCZYNFUJT-UHFFFAOYSA-N 340.423 4.466 0 40 EIAB C[C@H](Sc1nccn1C1CC1)C(=O)Nc1cccc2ccccc12 8710170 VYKUWIVVDMRMQT-ZDUSSCGKSA-N 337.448 4.491 0 40 EIAB CCCc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)sc1C 8718359 XMGPZKDIZAWTGX-UHFFFAOYSA-N 331.437 4.423 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1nonc1-c1ccccc1 8869436 ZXGVZHCKENKGQV-UHFFFAOYSA-N 329.359 4.071 0 40 EIAB CC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 8944131 RTUVJKRQUPPYEP-MRXNPFEDSA-N 341.411 4.044 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 10995133 PHUGRKLFVYISEN-UHFFFAOYSA-N 335.403 4.047 0 40 EIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1 11948109 UYPARAAJUANHSU-HOTGVXAUSA-N 339.391 4.308 0 40 EIAB CCOc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1 12225362 FJQHFUVOOROTDM-UHFFFAOYSA-N 348.406 4.180 0 40 EIAB CCCN(CCC)C(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 12404166 VYDUTKWOCKOEQJ-UHFFFAOYSA-N 345.487 4.403 0 40 EIAB CC(C)Oc1cccc(CNC(=O)c2ccccc2Br)c1 13676456 LRSASJYWCWCHGK-UHFFFAOYSA-N 348.240 4.166 0 40 EIAB O=C1c2ccccc2[C@@H](NCc2cccs2)N1C1CCCCC1 13940219 AUPLZBORWJEQIZ-SFHVURJKSA-N 326.465 4.325 0 40 EIAB O=C(Nc1ccnn1C1CCCC1)c1ccc(Br)cc1 14514387 JPJSIWJTPFPXKZ-UHFFFAOYSA-N 334.217 4.013 0 40 EIAB c1cncc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 15016185 AGMJZQSFAMHYAU-VQIMIIECSA-N 333.416 4.385 0 40 EIAB O=C(NCCCCOc1ccccc1)c1ccc(Br)cc1 16699991 QLVRGQVCIRBTTN-UHFFFAOYSA-N 348.240 4.038 0 40 EIAB O=C(NCCSCc1ccccc1F)c1cccc2cccnc12 17604561 DVNFWTWGVIAUFM-UHFFFAOYSA-N 340.423 4.037 0 40 EIAB Cc1cccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 19234948 RUAIEUPIIGMCFC-OAHLLOKOSA-N 325.437 4.096 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12 19943761 KDDKTXRDWDTFLK-HNNXBMFYSA-N 347.480 4.049 0 40 EIAB CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCc2ccccc21 29483312 ZSYSLPDIBGIQLC-QGZVFWFLSA-N 348.368 4.263 0 40 EIAB CC(C)(C)c1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 30985027 CTBPGMXVVJUIBZ-UHFFFAOYSA-N 326.396 4.035 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1cccc(Oc2cnccn2)c1 32029272 MXKOSEAMKLLHIN-UHFFFAOYSA-N 339.782 4.104 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(F)c(F)c1 32754451 IYMNVDXTKBOHRE-GFCCVEGCSA-N 344.361 4.343 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 36620402 UEZWHRYTLNGCBW-QGZVFWFLSA-N 349.883 4.483 0 40 EIAB O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(F)cc2)[nH]n1 40478383 CNCDQYVEXJBYQL-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB CC(C)Oc1cccc([C@@H](C)NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 40536025 KHYKHFFUNHSGQR-NAZJXLNTSA-N 343.467 4.046 0 40 EIAB C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)n1cnc2ccccc21 43841640 DXKKXMSEKVUNCJ-CZUORRHYSA-N 325.437 4.023 0 40 EIAB Cc1cccc(C2=NC(C)(C)N(C(=O)c3cccc(F)c3)C2=S)c1 45933198 UWWYVKBECSMHTB-UHFFFAOYSA-N 340.423 4.143 0 40 EIAB O=C(CCCOc1ccccc1F)Nc1cccc(-c2ccn[nH]2)c1 48365406 NUWBYWQSFUSLHK-UHFFFAOYSA-N 339.370 4.014 0 40 EIAB CC(=O)Nc1ccc(-c2csc(Cc3csc(C)n3)n2)c(F)c1 48375154 GJDIDYHCRQACNR-UHFFFAOYSA-N 347.440 4.263 0 40 EIAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H](c1ccccc1)n1cccc1 49030857 BUIGZGXAYGBSHI-QGZVFWFLSA-N 349.415 4.433 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)OCc1csc(-c2ccccn2)n1 55151041 QSMPKVZCCDMMEV-UHFFFAOYSA-N 349.415 4.352 0 40 EIAB Cc1nc(NC2CCN(CC(C)C)CC2)c2c3c(sc2n1)CCC3 65513886 VOMOQSRXHGDRDQ-UHFFFAOYSA-N 344.528 4.021 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12 72027104 QHLFTGKBBVMHJC-UHFFFAOYSA-N 345.395 4.178 0 40 EIAB CCC(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C 72228545 AKDSTYXQIYDKMV-UHFFFAOYSA-N 328.441 4.064 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)NCc1csc(-c2ccsc2)n1 72274492 UARKUBBMAPKRPY-JTQLQIEISA-N 332.498 4.073 0 40 EIAB C[C@H](NC(=O)CCc1cscn1)c1ccc(-c2cccnc2)cc1 75091951 WRKKWDBIYNKWMB-AWEZNQCLSA-N 337.448 4.015 0 40 EIAB O=C(CC(c1ccccc1)c1ccccc1)NCC[C@H](O)c1ccco1 77111315 YYHMBPFFJYOICE-FQEVSTJZSA-N 349.430 4.042 0 40 EIAB CC(C)(C)C1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 78646893 JOHHTKYFFTVMDJ-HVERKPMGSA-N 347.474 4.013 0 40 EIAB C[S@](=O)Cc1ccc(Cl)c(NCc2ncc(C(C)(C)C)o2)c1 85277732 DABCPJYCBCRFSU-JOCHJYFZSA-N 340.876 4.116 0 40 EIAB C[C@H]1CCCC[C@@H]1OCCNc1nn2cc(C(C)(C)C)nc2s1 95356620 KKISLHSVAZUMFC-STQMWFEESA-N 336.505 4.096 0 40 EIAB CC(C)[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccccn1 95409951 CNNOFLIMJQRISO-KDOFPFPSSA-N 327.428 4.307 0 40 EIAB CC(C)C[C@@H](NCc1cccc2cccnc12)C(=O)OC(C)(C)C 95414166 HMHNQTKAHDLMEP-QGZVFWFLSA-N 328.456 4.081 0 40 EIAB Cc1ccc([C@@H](C)NC2CCN(C(=O)c3ccccc3Cl)CC2)o1 95419407 XZJJRNYRUBSTJE-CQSZACIVSA-N 346.858 4.197 0 40 EIAB CCN(C(=O)CN1CCCSc2ccccc21)c1ccccc1C 95469848 FNHDTMKJEUXTJW-UHFFFAOYSA-N 340.492 4.350 0 40 EIAB Cc1ccc([C@H](CC(=O)O)NCc2cnc(C(C)(C)C)s2)cc1 97235212 MQVQTGGVIIHBNQ-HNNXBMFYSA-N 332.469 4.055 0 40 EIAB CC1(C)[C@H]2C[C@@H](Sc3nnn(-c4ccccc4)n3)[C@](C)(Cl)C[C@@H]21 100098408 SSQSSYIXOVMRJG-SZOQZIPDSA-N 348.903 4.187 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CCOc1ccccc1C(=O)O 183913212 FHKKVACZVMIPHX-AWEZNQCLSA-N 339.391 4.203 0 40 EIAB COc1ccc(Cl)cc1C(=O)n1c(C)c(C=O)c2ccccc21 216955863 OMZDJFMJIOYSMB-UHFFFAOYSA-N 327.767 4.113 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1C 223371865 NDVFPBZJBBLURN-UHFFFAOYSA-N 338.234 4.419 0 40 EIAB CCOC(=O)c1sc(Nc2ccc(OC)c(Cl)c2)nc1C 223452913 LRIMHRZMWUGSHV-UHFFFAOYSA-N 326.805 4.034 0 40 EIAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1C 224376291 VBBBVZAZVDZPIY-UHFFFAOYSA-N 339.435 4.209 0 40 EIAB Cc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1Cl 225079491 KMOPMQZNVDOCMY-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCCNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 225428265 CPERROZLPHSALN-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB COc1ccc(CCCNC(=S)Nc2cc(C)cc(C)c2)cc1 225555581 DKHRWBTVXMDJHF-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB CC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCC1 225597207 ARUCAIPHSHWDKU-UHFFFAOYSA-N 344.499 4.460 0 40 EIAB CCCOc1ccc(C(=O)Nc2cc(N)ccc2N(CC)CC)cc1 226261643 NZJMHTDZORBCAL-UHFFFAOYSA-N 341.455 4.156 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)COc1ccc(Cl)cc1 244955801 GAGWVIDWJMILIP-ZDUSSCGKSA-N 343.810 4.212 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCc1ccnc(-c2ccncc2)c1 390827853 LESVYOZSSYSBRM-AATRIKPKSA-N 349.821 4.127 0 40 EIAB C[C@@H](N[C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 529539800 UVULMLKXJCFEHM-KDOFPFPSSA-N 344.405 4.390 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)N2CC(Cc3ccc(C)cc3)C2)c1 665948733 GRMKLDAHOZEHGL-MRXNPFEDSA-N 338.451 4.409 0 40 EIAB O=c1c2c(nc(SCC3CCC3)n1Cc1ccccc1)CCCC2 2087070067 YRQYOLDWAKWIJY-UHFFFAOYSA-N 340.492 4.063 0 40 EIAB O=C1C[C@@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)OCO3 94856 DNKMPLLKUOEGFO-VIFPVBQESA-N 336.174 4.196 0 40 EIAB CC[C@H](C)NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 251373 SSOHIGUJYPUQSI-JTQLQIEISA-N 331.416 4.039 0 40 EIAB CCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 341934 FAYQYZFGDGZNII-UHFFFAOYSA-N 339.420 4.108 0 40 EIAB O=C(O)c1cc2ccc1CCc1ccc(cc1Br)CC2 343193 ABUOWVUOGSYHMG-UHFFFAOYSA-N 331.209 4.031 0 40 EIAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC)c(OC)c1 514680 PMOHZWRHFSBNTR-ZRDIBKRKSA-N 325.408 4.227 0 40 EIAB CCCCc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1 1916459 WKJZQRIMLLCLGX-UHFFFAOYSA-N 347.484 4.330 0 40 EIAB Cc1nnc2sc(-c3cccc4c(Br)cccc34)nn12 2330755 JPDHZLAIKAKRJV-UHFFFAOYSA-N 345.225 4.077 0 40 EIAB O=C(O)c1ccccc1OCc1csc(Nc2ccccc2)n1 2649601 VZNZEGGENXSRNQ-UHFFFAOYSA-N 326.377 4.164 0 40 EIAB CCOc1ccc2nc(NC(=O)C3(c4ccccc4)CC3)sc2c1 3409717 MIZRKKAOAXWGPM-UHFFFAOYSA-N 338.432 4.365 0 40 EIAB COc1ccc(C(O)(c2ccc(OC)cc2)c2cccc(F)c2)cc1 4128026 QUINLLAYWOHSQF-UHFFFAOYSA-N 338.378 4.127 0 40 EIAB O=c1[nH]c2ccccc2nc1SCc1cc(F)c(F)cc1Cl 4632146 QDDVDHKCDOHTQI-UHFFFAOYSA-N 338.766 4.147 0 40 EIAB Cc1cccc(N2C(=O)S[C@H](Nc3cc(C)ccc3C)C2=O)c1 4794154 KUNMALNNBVULNY-INIZCTEOSA-N 326.421 4.250 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)c3ccccc3F)o2)cc1C 4914427 YKKBALQQPCYUDU-UHFFFAOYSA-N 342.395 4.468 0 40 EIAB Cc1ccc([C@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 5002209 IICCFJLNHLAZDY-MRXNPFEDSA-N 326.446 4.383 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2ncnc3sc(C)cc23)c1 5017223 SMCGXXOIAFTVRH-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB CC1=N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 5296569 RGQDWIMMAYGQMT-JYRVWZFOSA-N 332.153 4.025 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 5541089 WAXMXLISKVNLIA-GFCCVEGCSA-N 346.814 4.013 0 40 EIAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 5598832 ZNIACCQEGLFJAL-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)[nH]c2c1 6506749 RDAALDMDZZYDFI-JTQLQIEISA-N 346.843 4.039 0 40 EIAB Cc1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1 6540827 CCSHHIBIGKPUNU-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1ccc2oc(C(=O)Nc3nonc3-c3cccs3)c(C)c2c1 6755169 YMQUFEVLORZULR-UHFFFAOYSA-N 339.376 4.413 0 40 EIAB CC(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 7989831 SNZXOPRQGMCYPL-JTQLQIEISA-N 347.823 4.421 0 40 EIAB Cc1ccc(OCc2nc(CC(=O)NC3CCCCC3)cs2)cc1 8777166 UADDBJLFGJDSHE-UHFFFAOYSA-N 344.480 4.022 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc2c1 8869051 ZLZBWTATXIWVAW-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB COc1ccccc1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 14794001 LXRACYDWQQOPHZ-UHFFFAOYSA-N 329.399 4.448 0 40 EIAB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CC(C)(C)O2 15453062 WSWDPPUOWHEAHD-PDGQHHTCSA-N 332.403 4.206 0 40 EIAB COc1cccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840179 VNGILERZRGSDHU-UHFFFAOYSA-N 344.461 4.370 0 40 EIAB CCCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC 17303932 YDQVIBNOFBIIED-UHFFFAOYSA-N 339.395 4.003 0 40 EIAB COc1ccc([C@@H](Cc2ccccc2)NC(C)(C)CNC(C)C)cc1 19363887 WBKSWCGABCSIOB-OAQYLSRUSA-N 340.511 4.345 0 40 EIAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccc1 19589108 YAMXMEIFAASMAP-BDTNDASRSA-N 348.490 4.169 0 40 EIAB O=C(NCCC1=CCCCC1)C1CCN(Cc2ccccc2F)CC1 20100480 PGSPPOVGHADQCQ-UHFFFAOYSA-N 344.474 4.044 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 20451602 RRUQTUSWFGWEHM-GOSISDBHSA-N 329.827 4.082 0 40 EIAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(F)c(Cl)c1 21122380 NKPDCKMBGMHZIQ-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CSc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 21641697 SNJMAHLCAMJFFI-KRWDZBQOSA-N 343.448 4.219 0 40 EIAB COc1ccc(OC)c(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 22540248 BTGONRPCXJFKCZ-INIZCTEOSA-N 341.451 4.049 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1c2ccccc2C[C@H]1C 27976888 BFYYRIIOTLHRCG-CQSZACIVSA-N 331.419 4.081 0 40 EIAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(O)cc1 28088675 KITITDYABYIKHL-UHFFFAOYSA-N 342.445 4.247 0 40 EIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(Cl)c1 28189113 WHLSVMRKWUBYFO-UHFFFAOYSA-N 347.827 4.114 0 40 EIAB CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OC(F)F 33028584 JWBLZTUCQBUYHU-MBNYWOFBSA-N 341.398 4.241 0 40 EIAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3C)c(=O)oc2c1 33809363 OWFSMKXKOMUTGX-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CSc1nnc(SCc2ccc(-n3nc(C)cc3C)cc2)s1 48248718 VRMVCSCJXOLABF-UHFFFAOYSA-N 348.522 4.355 0 40 EIAB Cc1nccn1-c1ccc(NC(=O)c2occc2-c2ccccc2)cn1 48301010 WBJARFBWGAEZDN-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)n[nH]2)cc1 51315408 HAEMWPBOCXUYAE-UHFFFAOYSA-N 335.407 4.345 0 40 EIAB Cc1ncsc1C(=O)Nc1cccc(CSc2ccccn2)c1 58137214 ISLFUAHWCKFRCW-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351379 MEDQWOZACAXPAA-HNAYVOBHSA-N 329.415 4.477 0 40 EIAB CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 60342457 ULUXZUZQPXBZCJ-HNNXBMFYSA-N 345.418 4.018 0 40 EIAB CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1cccc2c1N=S=N2 60890004 FZJBYCIIMLQIPF-GFCCVEGCSA-N 332.473 4.252 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2ccc(Br)cc2N)c1 61665843 LQJXDXQTESQHOC-UHFFFAOYSA-N 349.228 4.071 0 40 EIAB Cc1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)n(C)n1 68777126 AOYVVOVJHBDWQI-RDTXWAMCSA-N 341.455 4.076 0 40 EIAB CC[C@@H](C)c1csc(N(C)C(=O)c2cccc(-n3cccn3)c2)n1 71909653 WVGFNCSOXBLQNI-CYBMUJFWSA-N 340.452 4.119 0 40 EIAB Cc1ccsc1-c1cccc(NC(=O)N(C)Cc2cnccn2)c1 71910911 MJNJTJPLSDPRMW-UHFFFAOYSA-N 338.436 4.177 0 40 EIAB Fc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377407 XKDNUISMDLSFCW-GOSISDBHSA-N 349.413 4.091 0 40 EIAB CCCOCC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C 76092808 KHWLVDVPGVNPRD-OHNRDTAOSA-N 331.481 4.483 0 40 EIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 78457919 ZONOGRIIVYWGFU-AWEZNQCLSA-N 331.843 4.467 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)N2C[C@H]3CCC[C@@H]3C2)on1 84124432 MEVXLCZQMHSCCB-HUUCEWRRSA-N 342.464 4.147 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C 84195452 LWDANIZZCLRXGS-WBVHZDCISA-N 327.428 4.010 0 40 EIAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 84544367 KZKZRVLFOMHLOG-DLBZAZTESA-N 335.875 4.107 0 40 EIAB CC(=O)c1cccc(OCCCC(=O)N(Cc2ccco2)C(C)C)c1 89869646 JVLCXSCVKVLLHF-UHFFFAOYSA-N 343.423 4.078 0 40 EIAB CCOC(=O)Cc1csc(Nc2ccccc2C(F)(F)F)n1 95929445 IEGORHWJXHYPRV-UHFFFAOYSA-N 330.331 4.011 0 40 EIAB CS[C@@H](C)c1cccc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 96415980 LHYLBQKHYMTETJ-FZMZJTMJSA-N 347.484 4.468 0 40 EIAB Cc1cc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)o1 195564915 VZTGMAFFVRKRBC-UCLAIMLFSA-N 342.439 4.177 0 40 EIAB COc1ccccc1CCCNC(=O)CCc1ccccc1Cl 220015133 SSFLMVIKDVTKLS-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1sccc1C 222948555 CKFBTKVNCPWKNV-GJZGRUSLSA-N 331.510 4.224 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 223059710 LXIZLSFACGZKSK-LJQANCHMSA-N 347.455 4.134 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1C 223218583 CBELBYXEZZPHAU-IRXDYDNUSA-N 337.463 4.437 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)c1ccc2c(c1)CCCC2 223837823 SDXMJNXHZFWMJE-UHFFFAOYSA-N 337.463 4.498 0 40 EIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1C 223961063 VPRYESPKSNLTNJ-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1C 224558641 YXBWFHPWCCOLLJ-UHFFFAOYSA-N 345.442 4.452 0 40 EIAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1 225894125 CGBIXYLUWTWYTR-IBGZPJMESA-N 336.476 4.349 0 40 EIAB COc1ccc(C(=O)N[C@H](c2ccsc2)c2cccs2)cc1 390827110 UGNLGWWTWGXAQP-MRXNPFEDSA-N 329.446 4.338 0 40 EIAB O=C(Sc1nnc(-c2ccncc2)o1)c1cccc2ccccc12 408598433 AHEOOGGUVQQJAA-UHFFFAOYSA-N 333.372 4.217 0 40 EIAB CSCC[C@@H](C(=O)N1CCC(c2ccccc2)CC1)n1cccc1 575443011 CKTXLMLKYZOGDB-IBGZPJMESA-N 342.508 4.189 0 40 EIAB C[C@H](c1ccc(CN(C)Cc2nnc3ccccn23)cc1)C(F)(F)F 585086744 CAZKJUWUWBPUQR-CYBMUJFWSA-N 348.372 4.027 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c(C)c1 195509 NUGBJGPWSDFBOC-UHFFFAOYSA-N 325.437 4.219 0 40 EIAB CN(C)c1ccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)cc1 202372 ZSTFKOJXRZRKEY-UHFFFAOYSA-N 331.419 4.124 0 40 EIAB Nc1ccc2[nH]c(-c3ccc(-c4nc5cc(N)ccc5o4)cc3)nc2c1 263628 QMBCSUYNLYQLMX-UHFFFAOYSA-N 341.374 4.203 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(Cl)cc2s1 364304 UJDKAONZITWZBU-SNVBAGLBSA-N 332.812 4.356 0 40 EIAB Cc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1 1355936 CPVONJSGORBXDB-UHFFFAOYSA-N 349.409 4.433 0 40 EIAB Cc1ccccc1[C@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4554025 WKWKUUTZXXIPDW-KRWDZBQOSA-N 341.480 4.252 0 40 EIAB O=C(O)c1cc(Nc2nc(-c3ccc(F)cc3)cs2)ccc1O 4733240 AOUJSSRJMHQMOA-UHFFFAOYSA-N 330.340 4.097 0 40 EIAB Cc1cc(C)n([C@@H]2CCCC[C@@H]2OC(=O)CCc2ccccc2)n1 5069192 QQKZHLKZHQGJCS-MOPGFXCFSA-N 326.440 4.160 0 40 EIAB CCOc1ccc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)nn1 5259624 RZHOELOLTRTUAY-UHFFFAOYSA-N 333.391 4.103 0 40 EIAB O=C(Oc1ccccc1Cc1ccccc1)[C@@H]1COc2ccccc2O1 5464996 YEJMYKPTFISVHH-NRFANRHFSA-N 346.382 4.023 0 40 EIAB O=C(Nc1ccc(Cl)cc1)n1nc(-c2ccncc2)oc1=S 5769775 ZSPIXLGCFUKSDK-UHFFFAOYSA-N 332.772 4.001 0 40 EIAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 7405634 QMQJLMCFVJMRJU-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 7754597 OZWLBEMUGUCVLW-UHFFFAOYSA-N 347.370 4.170 0 40 EIAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Cl)C1=O 7981248 SOYVTOBFCLFZGN-LJQANCHMSA-N 342.826 4.087 0 40 EIAB O=C(Nc1ccc(Br)cc1Cl)c1cccnc1Cl 8051392 UFPQMIUISPUZAA-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 8184037 LQLCPKOLMCXJDW-HNNXBMFYSA-N 328.481 4.176 0 40 EIAB COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1OC 8231522 BPJVZDDOXJVXMP-UHFFFAOYSA-N 348.402 4.382 0 40 EIAB Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 8309971 NFJILLSAWTUMQJ-NSHDSACASA-N 340.851 4.308 0 40 EIAB COc1cc2c(cc1/C=C/C(=O)Nc1ccc(F)cc1C)O[C@@H](C)C2 8327809 QGYUIMKCWCJBNB-LVDDQXARSA-N 341.382 4.118 0 40 EIAB COc1c(C)cccc1C(=O)Nc1nc2c(C)cc(C)cc2s1 9141271 ZWQNICIJEBLWHO-UHFFFAOYSA-N 326.421 4.482 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CSC(C)(C)C 9795688 ZGHOEWTWEGXQMB-GFCCVEGCSA-N 333.453 4.122 0 40 EIAB Oc1cccc(C2=NN3[C@H](c4cccnc4)Oc4ccccc4[C@H]3C2)c1 10215374 QNFOBAHMJAUJLQ-CTNGQTDRSA-N 343.386 4.030 0 40 EIAB COc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 11915680 OLAPDZCOBMWJQJ-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB COc1ccccc1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188029 NTPJBORYKXQCQO-SFHVURJKSA-N 346.430 4.263 0 40 EIAB Cc1c(C)n(C[C@H](O)CN2CCCCCC2)c2c(Cl)cccc12 12421935 MIAUFAILCWBVSD-MRXNPFEDSA-N 334.891 4.148 0 40 EIAB C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 12547207 LUQKEKGIHOKWFA-AWEZNQCLSA-N 346.434 4.244 0 40 EIAB O=C(CCSc1nccn1-c1ccccc1)Nc1ccccc1F 12794746 SJUMTFIFMBPIIS-UHFFFAOYSA-N 341.411 4.132 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1C 12861343 MBXYPXVHPIFQLU-OAHLLOKOSA-N 343.448 4.431 0 40 EIAB Clc1ccc(OCCSc2nc(C3CC3)n[nH]2)c(Cl)c1 12862129 OHUCIOJFFYWQOK-UHFFFAOYSA-N 330.240 4.160 0 40 EIAB CCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12879166 VDJSZZZPMYKHJT-UHFFFAOYSA-N 326.421 4.204 0 40 EIAB COc1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1OC 13984487 FEAIIDRWEDLWAY-UHFFFAOYSA-N 341.388 4.223 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 14030965 IADUXMKQXWIVFJ-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB CCCCn1nc(C)c(/C=C/C(=O)Nc2cccc(OC)c2)c1Cl 14083149 PBZAAASSBIQYBW-MDZDMXLPSA-N 347.846 4.306 0 40 EIAB Cc1csc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1 15007806 FKFCIMCVAHJCEX-UHFFFAOYSA-N 332.356 4.015 0 40 EIAB O=C1C[C@@H](c2cccc(F)c2)c2sc(Nc3ccccc3)nc2N1 15110014 BKOGAQMXKCKQOR-AWEZNQCLSA-N 339.395 4.500 0 40 EIAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCC[C@H](C)C3)ncnc21 15880913 MMEASWCRIVQHKD-LBPRGKRZSA-N 341.846 4.014 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)o1 19657687 SXVRDEQXENNVCJ-UHFFFAOYSA-N 347.418 4.060 0 40 EIAB CCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1 19812430 NSFFDYOJJLZKOJ-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1cc(C)cc(C)c1 19927248 AVOVFRMRBRYKHS-IBGZPJMESA-N 327.449 4.481 0 40 EIAB Fc1ccc(CNc2ccccc2I)cc1 20360847 RNGQLVKAGGXNHR-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1OC(F)F 21137733 FEJIWXLJSHSJOI-UHFFFAOYSA-N 345.389 4.026 0 40 EIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1 23485682 XOJLUIJWQDLGFT-UHFFFAOYSA-N 349.409 4.004 0 40 EIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 24613947 UPXQBNPLTFNHEH-UHFFFAOYSA-N 345.464 4.208 0 40 EIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(-n2cccc2)c1 24746321 QUOCVNIRPRYNIU-UHFFFAOYSA-N 334.404 4.181 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)c1 25425844 UGEBINYSIAGVRJ-LBPRGKRZSA-N 325.437 4.352 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 25535116 QZUZJBNCRISVOC-IBGZPJMESA-N 339.410 4.461 0 40 EIAB CCCCNC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21 26939494 QYFQVAFOSADFQH-UHFFFAOYSA-N 341.842 4.273 0 40 EIAB CC(C)c1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1 32691411 NMIKFQZAVLXNEF-LJQANCHMSA-N 339.435 4.197 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCc2ccccc2C1 32754460 JTDFLFSVRYPMDB-INIZCTEOSA-N 348.446 4.011 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)N[C@@H]1CCSc2ccccc21 32795243 POLPTVGYNDWUEQ-QGZVFWFLSA-N 338.476 4.255 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 36621066 BQHUCWHSURNHDW-IBGZPJMESA-N 347.455 4.475 0 40 EIAB COc1ccc(Cc2nnc(SCCCc3ccccc3)o2)cc1 39978310 XUQYMHLNHBUNCH-UHFFFAOYSA-N 340.448 4.394 0 40 EIAB Cc1noc(-c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)n1 40110452 KOJSXKAMPGANPD-MRXNPFEDSA-N 339.420 4.084 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSc1ccccc1 44884213 IZEBRAATNOAGQZ-MRXNPFEDSA-N 349.883 4.406 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2ccccc2n1 48230893 YSBYJZTTZHFSQS-UHFFFAOYSA-N 344.414 4.325 0 40 EIAB O=C(Nc1cc(F)ccc1F)Nc1ccccc1Br 51354425 IOEYIPPLLKXYAS-UHFFFAOYSA-N 327.128 4.371 0 40 EIAB Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1CC(F)(F)F 58901639 MRYGIUSBWZCFCU-UHFFFAOYSA-N 349.356 4.079 0 40 EIAB COc1cc2c(Nc3cccc(C(=O)O)c3)ccnc2cc1Cl 64874613 LGEPIJVCZTXBBU-UHFFFAOYSA-N 328.755 4.339 0 40 EIAB O=C(NCCc1coc(-c2ccccc2)n1)c1c(F)cccc1Cl 71184930 DLTVIBPFXHDLRG-UHFFFAOYSA-N 344.773 4.107 0 40 EIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)c1 72329123 QTJPJWNCEQQCJY-UHFFFAOYSA-N 343.789 4.108 0 40 EIAB FC(F)(F)c1ccc(OCCNc2ncnc3ccsc23)cc1 84393043 HAVCFAHWIYDEHF-UHFFFAOYSA-N 339.342 4.201 0 40 EIAB CC[C@@H](C)[C@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 84721590 NPDPGKLGWITRKF-MJGOQNOKSA-N 331.500 4.265 0 40 EIAB Brc1cccc(Br)c1CN1CCCCC1 90413584 YEOILKQPJKVZIM-UHFFFAOYSA-N 333.067 4.198 0 40 EIAB CCc1ccc(-c2noc(CN(C)[C@H](CC)c3ccncc3)n2)cc1 95446807 LEGKXAMNGNOHFP-GOSISDBHSA-N 336.439 4.277 0 40 EIAB O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1Cl 101137285 OCGIXRYPQDPEGM-LTCOOKNTSA-N 341.838 4.356 0 40 EIAB Cn1/c(=N\C(=O)CCCSc2ccccc2)sc2ccccc21 101449822 VEZAAKZGNGUPON-VHEBQXMUSA-N 342.489 4.240 0 40 EIAB Cc1[nH]c2c(-c3ccccc3)c(Cc3ccccc3)nn2c(=O)c1Cl 102339471 ZNRWCNYGSHPJDM-UHFFFAOYSA-N 349.821 4.242 0 40 EIAB Cc1cnc(NC(=S)NC2CCCCCC2)c(Br)c1 224040558 LWQWQZDWLKGRHK-UHFFFAOYSA-N 342.306 4.162 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1 224454234 QKWQZNXZNKTPKQ-HXUWFJFHSA-N 349.430 4.192 0 40 EIAB COC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225436800 VOPGKEQKKPOVRG-UHFFFAOYSA-N 346.430 4.262 0 40 EIAB COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225763536 RPKBGHKKQQCWNR-KRWDZBQOSA-N 340.423 4.428 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 226265963 VNYUKQWNMGSTDQ-OAHLLOKOSA-N 337.467 4.462 0 40 EIAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cs1 252478330 AJJPEMGKGQDPPZ-UHFFFAOYSA-N 326.421 4.218 0 40 EIAB FC(F)(F)Oc1c(Br)ccc2[nH]c(C(F)(F)F)nc12 258828011 DTFFZVOZIWOPHP-UHFFFAOYSA-N 349.028 4.243 0 40 EIAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)CC[C@H]43)[C@H]1CC[C@@]21CCC(=O)O1 263600186 JSXFOYUNEYPEME-BGMKCOMVSA-N 330.468 4.284 0 40 EIAB Cc1cc(Br)cc(C)c1C(=O)C(F)(F)C(F)(F)F 575243176 QZAJQAYOQPQHDA-UHFFFAOYSA-N 331.078 4.446 0 40 EIAB Cc1cccc(C)c1NC(=O)N[C@H](c1ccccc1)C(C)(C)CO 585140281 BBWNBEOWCBFYOD-GOSISDBHSA-N 326.440 4.185 0 40 EIAB Cc1ccc(NC(=O)NC[C@H]2CCN(C(C)(C)C)C2)c(Cl)c1C 667280398 FDGGNJUEKXFCTR-CQSZACIVSA-N 337.895 4.199 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccsc1)c1ccco1 669463041 JGWBQGDBKIFFLC-PBHICJAKSA-N 341.432 4.057 0 40 EIAB COc1ccc(NCCC(=O)c2cccs2)c(OC)c1Cl 39214 QVDBVFIKMUTUAA-UHFFFAOYSA-N 325.817 4.104 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ncc(-c3ccccc3)s2)cc1 351346 MFXASNAYHCKMOD-FMIVXFBMSA-N 336.416 4.471 0 40 EIAB COc1ccc([C@H](CCNC(=O)c2cccs2)c2ccco2)cc1 487611 KURRSNXWGDHQIY-INIZCTEOSA-N 341.432 4.302 0 40 EIAB biogenic CCOC(=O)[C@@H](Cc1ccccc1Cl)c1nc2ccccc2[nH]1 551851 GJIZISOUDZIGHZ-ZDUSSCGKSA-N 328.799 4.106 0 40 EIAB FC(F)(F)c1cnc(-c2cnc(-c3cccnc3)nc2)c(Cl)c1 1397511 ZRYWEFUWTBCMKR-UHFFFAOYSA-N 336.704 4.273 0 40 EIAB CCCCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 1770731 PSJKMCUGGQIKIS-UHFFFAOYSA-N 325.408 4.215 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1nc2c(F)cccc2s1 2714020 LYMJCWPPIWSJII-UHFFFAOYSA-N 336.775 4.106 0 40 EIAB Cc1sc(NC[C@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1 3352666 QHVNCBUNFJEGKX-CYBMUJFWSA-N 340.395 4.311 0 40 EIAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccncc1 3412207 ZSJAUYYRPATDBM-UHFFFAOYSA-N 345.118 4.115 0 40 EIAB CCCCNc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1 3412425 KOROJKBANUBTJZ-UHFFFAOYSA-N 346.481 4.206 0 40 EIAB aggregator CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N=C1S 4141559 ISKAUZXMBMCTFI-UVTDQMKNSA-N 346.496 4.086 0 40 EIAB Cc1ccc(-c2nc(COC(=O)c3cn4ccccc4n3)cs2)cc1 4407732 AISUGKYVFGNCGR-UHFFFAOYSA-N 349.415 4.123 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccccc1 4854186 XGMGIQILLWVMIE-LJQANCHMSA-N 335.382 4.264 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)[C@@H](Cc1ccccc1)n1cccc1 5055391 HEZPGQCYHOZQSJ-GOSISDBHSA-N 326.346 4.189 0 40 EIAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1cccc2ccccc12 5090475 IXBDGROOHJSRKB-UHFFFAOYSA-N 344.370 4.117 0 40 EIAB CCOc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1O 6529662 BCHPEZOKXDFGRK-VQHVLOKHSA-N 335.359 4.208 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)cc1 6820464 OYRJVQZPFYHIOU-UHFFFAOYSA-N 333.435 4.339 0 40 EIAB CC(C)NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 7007674 CPFFTFTXODLBHC-UHFFFAOYSA-N 327.468 4.058 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(Cc1ccco1)Cc1ccco1 7725739 JAUDUQNBWNVONG-UHFFFAOYSA-N 338.407 4.130 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc3ccccc3c2)c1 8356094 JBOJBCXJMCZKMB-HNNXBMFYSA-N 349.430 4.277 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 10329693 OKJHMWZAFZQHIL-FQEVSTJZSA-N 336.410 4.012 0 40 EIAB CC(C)Cc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 11278536 ILYUQIJNKXZOLN-UHFFFAOYSA-N 327.240 4.358 0 40 EIAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(OC)cc1 18131504 GCDIDRASVCPSSK-HXUWFJFHSA-N 349.430 4.495 0 40 EIAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@@H]4C3)c2c1 19345161 CGLBQXCRGUSAEM-FCEWJHQRSA-N 339.483 4.427 0 40 EIAB Clc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 19832115 TUXMWVHAGDOEHK-UHFFFAOYSA-N 335.278 4.311 0 40 EIAB Cc1cc(NC(=O)c2ccc(F)cc2)ccc1-c1ccc(CO)o1 20138206 KBMXSHKSWMTPOZ-UHFFFAOYSA-N 325.339 4.139 0 40 EIAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)cc1 21974014 IRVSJDMPZSJHND-UHFFFAOYSA-N 338.451 4.048 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccnn3C(C)C)s2)o1 31273978 CQAUNSKOTORLTR-UHFFFAOYSA-N 330.413 4.050 0 40 EIAB CCOc1ccccc1OCC(=O)N[C@@H](C)c1ccc(Cl)s1 32038848 JFRGXEHCVJTYPS-NSHDSACASA-N 339.844 4.056 0 40 EIAB C[C@H](NC(=O)c1ccccc1Nc1ccc(F)cc1)c1cccnc1 32744823 RWFGRGHUKAZRAS-AWEZNQCLSA-N 335.382 4.455 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C 33651411 JRANQAQJEPUQBY-UHFFFAOYSA-N 333.453 4.120 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1 36359268 PBFMIHKGHTUHNS-OAHLLOKOSA-N 325.318 4.274 0 40 EIAB COc1ccc(NC(=O)Nc2cccc(Br)c2)cc1F 51354387 YCWBWKHTIZHARN-UHFFFAOYSA-N 339.164 4.241 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)NC1CCCC1 56356886 ILLJAUKDAMUVJN-UHFFFAOYSA-N 347.802 4.249 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)NO[C@H]2CCCCO2)c1C 58416005 XIILQQZYRWORIO-IBGZPJMESA-N 340.423 4.235 0 40 EIAB O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(Cl)cc1 60359647 QASLYNYCWREZIY-UHFFFAOYSA-N 330.815 4.183 0 40 EIAB Cc1ccccc1CSc1nnc(NC(=O)c2ccsc2)s1 61997244 SCVPKQNZYCAIKW-UHFFFAOYSA-N 347.490 4.453 0 40 EIAB CCN(C(=O)c1cccc(C)n1)[C@H](c1ccncc1)c1ccc(F)cc1 65531742 IDXYEGSNTAULJR-FQEVSTJZSA-N 349.409 4.176 0 40 EIAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 69385291 OZXYACYRGHBROK-ZWKOTPCHSA-N 326.827 4.030 0 40 EIAB CC(C)Oc1ccccc1CC(=O)N(C1CC1)[C@H](C)c1ccccn1 69387944 YFDGTTRAUGOYSH-MRXNPFEDSA-N 338.451 4.164 0 40 EIAB CS[C@H](C)C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 69420832 KVAHUCAQJVPZOW-MLGOLLRUSA-N 347.459 4.021 0 40 EIAB Cc1csc(N(CC(F)(F)F)C(=O)c2csc(C(C)C)n2)n1 69437748 LGTYCMUXCBKCKP-UHFFFAOYSA-N 349.403 4.241 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCc1ccc(OC(C)C)cc1 72331763 XWHFARCNAZAPHT-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB Cc1ccsc1CNCc1cnn(Cc2ccccc2Cl)c1 75675515 YDVYKJRSZFVIAS-UHFFFAOYSA-N 331.872 4.245 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2csc3c2CC[C@H](C)C3)on1 77212496 NZLHYZMJQMDSRO-XHDPSFHLSA-N 330.453 4.147 0 40 EIAB CCc1ccsc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 78752098 HBAXUXHHGQTZFD-UHFFFAOYSA-N 348.431 4.297 0 40 EIAB COCCn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2ccccc21 79437187 CZPUKUWJFFEGFA-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB Cc1cccnc1CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 80117848 IQPSWKJPVARGMA-FQEVSTJZSA-N 335.451 4.142 0 40 EIAB CC[C@](C)(NCc1nnc(-c2ccc(F)cc2)o1)c1nc(C)cs1 84721224 JEVRHLSIHZWEKA-KRWDZBQOSA-N 346.431 4.056 0 40 EIAB O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1 96097216 NKZVMTQRMMEXMD-NSHDSACASA-N 335.812 4.001 0 40 EIAB COc1cccc(C[S@@](=O)Cc2nc(-c3cccs3)oc2C)c1 96404326 NACZMFGVSNJSSQ-QHCPKHFHSA-N 347.461 4.169 0 40 EIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C/C=C\c1ccccc1 96536820 CIIVHRJYVVCPRD-OQFUBPRESA-N 345.446 4.433 0 40 EIAB c1ccc(CN(Cc2cnn(-c3ccccc3)c2)C[C@H]2CCCO2)cc1 97492898 IPKVFSWPIPWZLK-JOCHJYFZSA-N 347.462 4.054 0 40 EIAB CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1cccc(C)c1)C2 100425674 DZOVUUTXQPFIKA-RTBURBONSA-N 329.488 4.302 0 40 EIAB C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCC[C@@H]1C 104723625 IGJROBULCVXYHC-MPGHIAIKSA-N 345.483 4.224 0 40 EIAB Cc1cc(C)c(N2CC[C@@H](S[C@@H](C)c3cnccn3)C2=O)c(C)c1 191161580 VTBWGZOHKMOKIC-DOTOQJQBSA-N 341.480 4.002 0 40 EIAB Cc1ccc(F)cc1CNc1ccc(Cl)c(C[S@](C)=O)c1 195559017 QYRVINWLSNUWNF-NRFANRHFSA-N 325.836 4.278 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1Cl 219480611 BCVLKDBSIKNKOF-CQSZACIVSA-N 349.883 4.157 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc2c(c1)CCCC2 224853686 YGALEXVDWJXJRL-UHFFFAOYSA-N 337.463 4.082 0 40 EIAB COc1ccccc1O[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225083124 KEKUYTMIACKWGW-CQSZACIVSA-N 341.190 4.077 0 40 EIAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1cccc(Cl)c1 225247601 IMDLFEZJSHHOSM-OQLLNIDSSA-N 334.828 4.132 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2CCCCCC2)c1C 225353721 SBQGBVRXDVRGNK-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB COc1ccc(Nc2ccc(N)cc2C(=O)OC(C)C)cc1Cl 225482854 LYIQWKGJAPTGRU-UHFFFAOYSA-N 334.803 4.240 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2c1 226037858 PDAAOMXADCFKHA-LBPRGKRZSA-N 341.794 4.246 0 40 EIAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(CC3CC3)CC2)n1 257259360 KXYOLMOSQIYYDF-UHFFFAOYSA-N 340.446 4.257 0 40 EIAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260753014 APLYOUDTQPHMQJ-XYPHTWIQSA-N 326.469 4.053 0 40 EIAB CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409330489 ASLQRRLKHSZFQG-MHWRWJLKSA-N 343.379 4.071 0 40 EIAB O=C(CCSc1ccccc1)NCc1cncc(-c2ccco2)c1 575619731 YHBSUYJOAPBFTJ-UHFFFAOYSA-N 338.432 4.140 0 40 EIAB Cc1cc(Cl)c2ccccc2c1NC(=O)N(C)C[C@H]1C[C@@H](O)C1 626503514 VQHVOPCUXYEBBP-BETUJISGSA-N 332.831 4.036 0 40 EIAB O=C(c1cccc(NCc2ccccn2)c1)N1CC[C@@H]2CCCC[C@@H]21 636073433 PJLRUKHBMBSNSJ-JXFKEZNVSA-N 335.451 4.098 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1ccc(C(=O)c2ccccc2)o1 51567 HMEOZSYDVOVBNH-UHFFFAOYSA-N 348.383 4.373 0 40 EIAB C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 143767 MFNSLKMTFOOJKS-MRVPVSSYSA-N 342.675 4.210 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 190950 DQIQHGKUFJRLAE-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB Cc1cc2ncn(Cc3cc(Cl)cc4c3OCOC4)c2cc1C 572574 ZDWDIGXHOIMXJP-UHFFFAOYSA-N 328.799 4.221 0 40 EIAB CCCn1c(SCc2ccc(C)cc2)nc(C(F)(F)F)cc1=O 1383395 AKOOIQANRYDABH-UHFFFAOYSA-N 342.386 4.273 0 40 EIAB O=C(Cc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 2801094 WTNIIJUKEKTRPR-UHFFFAOYSA-N 327.855 4.364 0 40 EIAB CCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12 4162489 FYEXQORWHJHIIC-UHFFFAOYSA-N 338.363 4.042 0 40 EIAB CCSc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 5241646 ISVPLHUVRLEARU-UHFFFAOYSA-N 331.422 4.162 0 40 EIAB Cc1ccc(CN(C)c2ncnc3sc4c(c23)CC[C@H](C)C4)o1 6602746 HHAIXBHLGRNDGL-NSHDSACASA-N 327.453 4.354 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2c1CCCC2 6658494 PRYLOQHOINAPST-UHFFFAOYSA-N 332.403 4.177 0 40 EIAB COc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 7383292 CXUWJXLHLVUUAS-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OC 7538539 WCQRBPSSOHSUJE-UHFFFAOYSA-N 335.831 4.046 0 40 EIAB Cc1ccc(OCc2cn3cccc(C)c3n2)c(Br)c1 8135716 QJUXWLZPTGVMCL-UHFFFAOYSA-N 331.213 4.293 0 40 EIAB CC[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1 9420288 QYUPMGZUCAGSGF-VQIMIIECSA-N 333.435 4.420 0 40 EIAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCC2)cc1 9583107 LSPIGRKDMPIKHM-UHFFFAOYSA-N 345.446 4.256 0 40 EIAB CC(C)CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 12691155 UNCBINLMDDHFCV-UHFFFAOYSA-N 331.466 4.487 0 40 EIAB O=C(CSc1nnc(C2CC2)o1)c1cc2cc(Cl)ccc2o1 12749887 FOVXPRMYMKYIMQ-UHFFFAOYSA-N 334.784 4.322 0 40 EIAB c1cnc(Oc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)nc1 13731530 YSXVOCPNSJQGEP-UHFFFAOYSA-N 335.451 4.183 0 40 EIAB COc1ccccc1C(=O)CSc1ncc(-c2ccc(F)cc2)o1 14803591 IBRGWXDULQJDAC-UHFFFAOYSA-N 343.379 4.464 0 40 EIAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 19691995 KXUJFYFVDNAGME-QFIPXVFZSA-N 346.478 4.051 0 40 EIAB O[C@@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 19990565 DHFKOHSBFPYHRO-SFHVURJKSA-N 327.811 4.423 0 40 EIAB CCc1[nH]c(SCC(=O)Nc2ccc3ccccc3c2)nc1C 20095072 YUDFAGVQMDBNHG-UHFFFAOYSA-N 325.437 4.165 0 40 EIAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20486814 LYFWOHADGQOBMR-MRXNPFEDSA-N 343.492 4.423 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccccc1OC 22527637 VPVMSSCNNOQFRP-IBGZPJMESA-N 341.451 4.128 0 40 EIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 23025451 TVSODKYEDHMQKV-ZDUSSCGKSA-N 341.885 4.236 0 40 EIAB CC[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccccc1 24522730 VZCLBMTZPICKQX-KRWDZBQOSA-N 336.435 4.344 0 40 EIAB COc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 24597345 JYCBYLXQMFFDLA-UHFFFAOYSA-N 329.827 4.087 0 40 EIAB COc1ccc(SCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 26896074 ABIIDQVNIXVBDI-HNNXBMFYSA-N 329.465 4.282 0 40 EIAB COc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 29561422 BJGSLJJDMNCMJL-UHFFFAOYSA-N 341.426 4.005 0 40 EIAB Cc1ccc(NC(=O)COc2ccccc2Cl)c2cccnc12 31082661 DAKWQEHGJSPBKD-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB C[C@@H](NC(=O)c1occc1-c1ccccc1)c1ccc2c(c1)OCCO2 32784668 WDUYYIOBOVFEBT-CQSZACIVSA-N 349.386 4.209 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCc2ccccc2C1=O 35316514 FKVXZDFVERTKAL-IRXDYDNUSA-N 329.440 4.221 0 40 EIAB COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)C)cc1OC 40023998 HERHUSDDXNYHBX-INIZCTEOSA-N 334.441 4.284 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 40120903 BVHSPSXFKOAMIB-AWEZNQCLSA-N 344.484 4.358 0 40 EIAB CCc1cccc(C)c1NC(=O)Cc1c(C)nn(CC(C)C)c1C 40466455 XJVXDBXEPSNGSO-UHFFFAOYSA-N 327.472 4.208 0 40 EIAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1F 46375349 WVLBUHWTSMFLPS-UHFFFAOYSA-N 346.833 4.005 0 40 EIAB Cc1ccc(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cn1 47416333 HBEUYYXLMLMVJC-OAQYLSRUSA-N 348.471 4.168 0 40 EIAB Cc1nc(-n2cccc2)sc1C(=O)N1CC=C(c2ccccc2)CC1 49006233 XOLKNIVHTIYPDM-UHFFFAOYSA-N 349.459 4.172 0 40 EIAB Cc1occc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 55646986 XVGDBBAKMYFEKR-AWEZNQCLSA-N 336.391 4.053 0 40 EIAB C[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 57413558 AZEVQBREJUBHQD-ZDUSSCGKSA-N 339.826 4.264 0 40 EIAB COc1ccc(N(C)C(=O)c2ccc(-c3ccccc3F)s2)cn1 58426524 BLEHHWDQGNEFRL-UHFFFAOYSA-N 342.395 4.234 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2nc(C(C)C)cs2)c(Cl)c1 67168512 CGHZAVSULKDTJG-UHFFFAOYSA-N 337.832 4.131 0 40 EIAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCc2occc21 69484165 VXYQRHSSBOKFEN-AWEZNQCLSA-N 342.420 4.041 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)NCc2ccc(F)cc2)o1 72265335 GLMOCYNZXSJGEM-UHFFFAOYSA-N 341.338 4.150 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F 72380268 XISUOPRMDPGGKF-GOSISDBHSA-N 341.430 4.460 0 40 EIAB CCN(C(=O)c1sc(-c2ccc(F)cc2)nc1C)c1ccncc1 74019082 AMFSIUVYXULWRE-UHFFFAOYSA-N 341.411 4.319 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2sccc2C2CC2)c(Cl)c1 79046707 RHLCWQHPHJHIQB-UHFFFAOYSA-N 334.828 4.490 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)Cc1cccc(O)c1 80008736 SKRAIYJOJMTQTQ-QGZVFWFLSA-N 342.439 4.149 0 40 EIAB Cc1cccc(C)c1C(=O)c1ccc(CN2CCSCC2)cc1 85651265 IDPOJAIKOLCHMQ-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB CCC[C@@]1(C(F)(F)F)CCCN1Cc1cc2ccccc2[nH]c1=O 89949957 GKTOIGBOAZKTFK-KRWDZBQOSA-N 338.373 4.225 0 40 EIAB CCCCOc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C 95095403 PCFDAUYVSQNTJM-INIZCTEOSA-N 329.444 4.347 0 40 EIAB COc1ccc(-c2cnc(CN3CC=C(C(F)(F)F)CC3)o2)cc1 95441414 HVZZBERKXJTKHH-UHFFFAOYSA-N 338.329 4.045 0 40 EIAB C[C@@H]1CCCCCN1C(=O)CCCCC(=O)N1CCCCC[C@H]1C 95959728 JBPNRYYRNSOQNA-QZTJIDSGSA-N 336.520 4.129 0 40 EIAB Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 95967944 PGRAQIQGWPHNQE-YWZLYKJASA-N 343.492 4.200 0 40 EIAB Cc1occc1-c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194397 NUFODSLDUXEKMI-UHFFFAOYSA-N 336.376 4.476 0 40 EIAB O=C(c1ccco1)N1CC[C@H](c2ccn(CC3CC3)n2)c2ccccc21 96260804 KTLATBKNBUIKDN-INIZCTEOSA-N 347.418 4.069 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1(C)CCOCC1 96403242 PMPYQIWMQVCNIJ-AWEZNQCLSA-N 344.480 4.112 0 40 EIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2ccccc2)c1 96407776 NWQHIRLWNAWYSH-XMMPIXPASA-N 344.480 4.056 0 40 EIAB c1ccc(N(Cc2cscn2)Cc2nnc(C3CCC3)o2)cc1 96410335 WTSNMIIULLAZEP-UHFFFAOYSA-N 326.425 4.000 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ncc(Cl)cc1Cl)CC2=O 100749127 RMRHPJUQWQEFAC-HOTGVXAUSA-N 341.238 4.112 0 40 EIAB CCOC(=O)c1cn([C@H](C)CC)c2cc(C(F)(F)F)ccc2c1=O 199741093 SXEHXTMLXRBMIF-SNVBAGLBSA-N 341.329 4.168 0 40 EIAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c1 214571922 XTYVOFJIJGTMLY-MHWRWJLKSA-N 327.380 4.371 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C(C)C 222973807 PICSFONUXFEZBC-QZTJIDSGSA-N 342.512 4.237 0 40 EIAB CCCc1ccc(OCCNC(=O)[C@H](C)Sc2ccccc2)cc1 223410900 MQEOHBDAUBNVQL-INIZCTEOSA-N 343.492 4.315 0 40 EIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223538914 RCZGYJBZIYJSLO-KRWDZBQOSA-N 337.463 4.300 0 40 EIAB Cc1ccc(OCCNC(=O)CCCOc2ccccc2)cc1Cl 224150280 KTDCSBPPHYNICK-UHFFFAOYSA-N 347.842 4.003 0 40 EIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1ccccc1Cl 225598522 HIHOUQMTDPQYNT-KGXGESDWSA-N 341.838 4.036 0 40 EIAB Fc1cccc(-c2ccc(CNc3nnc([C@@H]4CCCO4)o3)o2)c1F 225622084 VRKHPPKEVDPHPM-AWEZNQCLSA-N 347.321 4.071 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC2(C(C)C)CCCC2)c1 225863392 KIBTXBUXRVDJAB-UHFFFAOYSA-N 334.485 4.119 0 40 EIAB Fc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)N4CCC[C@]34C2)cc1 247531841 PACOWZUQYBZXCZ-QRFRQXIXSA-N 342.483 4.299 0 40 EIAB NC1=C(c2ccccc2)[S@](=O)c2cc(Oc3ccccc3)ccc21 247639545 GFWDFTCWEBHZOO-XMMPIXPASA-N 333.412 4.385 0 40 EIAB Cc1ccc(-c2ccc(C(=O)N3CC(OCC(F)(F)F)C3)cc2)cc1 390828435 BALMDWISKMGAFU-UHFFFAOYSA-N 349.352 4.065 0 40 EIAB O=C(COc1cccc(F)c1)N(C1CC1)[C@H]1CCCc2ccccc21 642067749 SFUXZNSVNWEQCW-FQEVSTJZSA-N 339.410 4.273 0 40 EIAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)cc1 107808 JWUSZJNQQFALPG-HNNXBMFYSA-N 339.395 4.270 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)ccc1Br 357221 PBMHKRZEEVTCCF-CYBMUJFWSA-N 348.240 4.014 0 40 EIAB Cc1ccc(C)c(Nc2ccc(C(=O)NCCc3ccccc3)cn2)c1 1340924 OLJNDBHOHBTRFV-UHFFFAOYSA-N 345.446 4.415 0 40 EIAB Cc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)c(C)c1 1914031 JDHWKLDVLMHBEY-UHFFFAOYSA-N 333.457 4.076 0 40 EIAB CC(=O)c1cc(C)ccc1OC(=O)c1cccc(Br)c1 1944638 SVIGXDGLDVQVII-UHFFFAOYSA-N 333.181 4.179 0 40 EIAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 2390600 CCWGRJWMYKSKDZ-SFHVURJKSA-N 333.387 4.091 0 40 EIAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)O 2644006 NVEBATPMKXCMFC-AATRIKPKSA-N 345.613 4.298 0 40 EIAB COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 2733739 MMNNLDODABBJQN-UHFFFAOYSA-N 349.415 4.244 0 40 EIAB C[C@@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)N1CCCC1 3211491 FXPQNIMLKQBNIY-PBHICJAKSA-N 345.537 4.260 0 40 EIAB O=c1c2c(-c3ccco3)csc2[nH]c(=S)n1-c1ccccc1 3289281 YWFGYJDCCFPAJU-UHFFFAOYSA-N 326.402 4.370 0 40 EIAB COc1ccc(OC)c(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1 4223222 DJGXPCBSLXPGNV-CSKARUKUSA-N 349.386 4.348 0 40 EIAB CON(Cc1ccccc1Br)C(=O)Nc1ccccc1 4290498 MCMQYIGRXRLWTJ-UHFFFAOYSA-N 335.201 4.045 0 40 EIAB CSc1nnc([C@@H]2CCCN(C3CCC(C)CC3)C2)n1C(C)C 5001486 BZVRDHDYKKAHQC-HWOWSKLDSA-N 336.549 4.339 0 40 EIAB Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c(O)c1 5343496 WBWPSAMODQAFAU-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 5435076 RDQDIDUQUNHLKX-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C2C3CC4CC(C3)CC2C4)c1 5555432 BHVLHUNRFIZPJP-UABJAZSOSA-N 347.524 4.043 0 40 EIAB CCOP(=O)(OCC)[C@](C)(O)c1ccc(Cl)c(Cl)c1 6464240 MWDMMUQUCNSTNK-LBPRGKRZSA-N 327.144 4.425 0 40 EIAB CC[C@H](C)Cc1c(C)sc2nc(CNc3ccccc3)[nH]c(=O)c12 7002410 DKUDKQPUGGEEEW-LBPRGKRZSA-N 341.480 4.494 0 40 EIAB Cc1ccc(-c2noc(SCc3cccc(C(=O)O)c3)n2)cc1 7605205 WWBOAUHWMBEPEJ-UHFFFAOYSA-N 326.377 4.036 0 40 EIAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)c1 7615824 XGIMCURDOCGYPC-QGZVFWFLSA-N 347.418 4.182 0 40 EIAB CCOc1ccc([C@H]2CCCN2c2ncnc3sccc23)cc1 7903469 UFZQGXLEROCNAJ-MRXNPFEDSA-N 325.437 4.432 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1F 7924798 DYMXGJNZKXSFSE-JTQLQIEISA-N 341.304 4.344 0 40 EIAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@H]1c1ccccc1 9355722 TUFDNMILHJIMCF-GOSISDBHSA-N 334.423 4.316 0 40 EIAB Cc1ccc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 11052498 NGRCKEFQYIICNQ-HNNXBMFYSA-N 337.419 4.319 0 40 EIAB O=C(CCCc1ccncc1)NC1(c2ccccc2F)CCCC1 12148412 XAMKNDLTSHSWBR-UHFFFAOYSA-N 326.415 4.129 0 40 EIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccc(C)cc2[nH]1 12867391 OHERXRZXTNBQMI-UHFFFAOYSA-N 340.398 4.286 0 40 EIAB Cc1ccc(F)c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12883857 LKRCSIHHINBWQG-UHFFFAOYSA-N 325.383 4.224 0 40 EIAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)c2cccc3cccc1c23 13565829 XSEYAMZYPVOSBI-CABCVRRESA-N 344.414 4.066 0 40 EIAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14665217 CKBSWSOPVLTABP-CQSZACIVSA-N 327.424 4.399 0 40 EIAB Cc1ccc(Cl)c(OC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 14849431 LVFCLAGKHALUMA-CQSZACIVSA-N 343.810 4.145 0 40 EIAB CCOc1cc(CN2CCCCC[C@@H]2c2cc(C)no2)ccc1O 19531846 SRZGRVYPWLKLJB-MRXNPFEDSA-N 330.428 4.205 0 40 EIAB CCCCOC(=O)c1ccc2nc(NC(=O)CCCC)sc2c1 20411451 ZOZVVVWVZYFSPO-UHFFFAOYSA-N 334.441 4.382 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccccc2)cc1 20486413 RKWGJSTWCAIPCY-OAHLLOKOSA-N 329.465 4.196 0 40 EIAB Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)n1 21935065 DUBYXEQUOFNXHD-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB O=c1c2sccc2ncn1Cc1ccccc1Oc1ccccc1 22002530 NWZQRPTXZXBTFS-UHFFFAOYSA-N 334.400 4.299 0 40 EIAB CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cs1 23966920 GODBJKNUMZVCHS-UHFFFAOYSA-N 336.873 4.436 0 40 EIAB COC(=O)c1occc1CSc1nccn1-c1cc(C)ccc1C 25741998 BNRILMRJOGWRTF-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB CONC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 25823224 JPPZCAQGMSWTKV-UHFFFAOYSA-N 328.371 4.346 0 40 EIAB O=C(NCCOc1ccccc1)c1ccccc1CCc1ccccc1 25984721 MKVVEBOVVZXVOS-UHFFFAOYSA-N 345.442 4.281 0 40 EIAB Fc1c(F)c(CO[C@@H]2CCCCO2)c(F)c(F)c1Br 34120854 NWFCNKLMRINAEA-SSDOTTSWSA-N 343.114 4.049 0 40 EIAB COc1ccc(OC)c(-c2csc(Cc3csc(C)n3)n2)c1 40086301 ZLXBIUWLJDKTTJ-UHFFFAOYSA-N 332.450 4.183 0 40 EIAB COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1OC 40097641 FUNVLZVQZCVWLM-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB O=C(NC1CCCC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 42622627 CGGWNQUMHNYKGP-GJZGRUSLSA-N 326.465 4.405 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 44841514 GJFLRQJGCDGVTJ-OXJNMPFZSA-N 341.451 4.429 0 40 EIAB Cc1ccsc1CNc1nn2cc(-c3ccccc3)nc2s1 45733656 PJGAVVMHRDDXOJ-UHFFFAOYSA-N 326.450 4.440 0 40 EIAB Cc1cc(C)c2cc(C(=O)N3CCC(Oc4ccccc4)CC3)[nH]c2c1 55976269 NHTKQFPTNYBARX-UHFFFAOYSA-N 348.446 4.468 0 40 EIAB CCN(CC)C(=S)S[C@@H](C)c1nc(-c2cccs2)no1 58714147 SWJAYKOYZGBYSJ-VIFPVBQESA-N 327.500 4.219 0 40 EIAB CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)cc1F 65118456 SWIZDSWTMXZOPI-UHFFFAOYSA-N 329.400 4.196 0 40 EIAB CC[C@@H](C)Sc1ccc(NC(=O)NC2CCN(C)CC2)c(C)c1 69561989 MBYBXGRXNPZQSH-CQSZACIVSA-N 335.517 4.101 0 40 EIAB CSCc1nnc(S[C@@H](C)c2ncc(-c3ccccc3)o2)o1 71911296 TUKNYCVMWGXSED-JTQLQIEISA-N 333.438 4.441 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)N1CC[C@H]1Cc1ccccc1 72311741 GRVUBYRKRNDGTC-LPHOPBHVSA-N 325.477 4.152 0 40 EIAB Clc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 72369817 OZXOTQMGYZXBPC-MRXNPFEDSA-N 339.826 4.380 0 40 EIAB Cc1noc(C)c1CNC(=O)CC(c1ccccc1)c1ccccc1 74849455 UNIASEFAFHQWCO-UHFFFAOYSA-N 334.419 4.130 0 40 EIAB Cn1cnnc1-c1cccc(NCc2cnc(-c3ccccc3)s2)c1 89761962 VMEVMNMFOYEJTF-UHFFFAOYSA-N 347.447 4.218 0 40 EIAB Fc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1Br 89787910 QIEHPMGAILWTHY-UHFFFAOYSA-N 346.203 4.386 0 40 EIAB CC(C)[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccccn1 95409952 CNNOFLIMJQRISO-RDTXWAMCSA-N 327.428 4.307 0 40 EIAB c1ccc(C2(NCc3cnc(C4CCC4)s3)CCOCC2)cc1 95415510 JJYBYEKDXWEHJC-UHFFFAOYSA-N 328.481 4.206 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cc(C)oc2C)o1 97161852 HKUNMSQQWAECSU-GUYCJALGSA-N 346.427 4.244 0 40 EIAB O=C(C1=N/C(=C/c2ccncc2)c2ccccc2N1)c1ccccc1 102595873 ALQWBURVHCAWIH-XMHGGMMESA-N 325.371 4.287 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 223442579 XAGZVHCWIKMLRZ-SFHVURJKSA-N 325.452 4.485 0 40 EIAB Cc1cc(Cl)cnc1NC(=S)NCc1ccc(Cl)cc1 223929385 ZRHGXIQYKXGGTN-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1C 224255581 TXEOJZUMHPOVNC-OALUTQOASA-N 349.459 4.469 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224426721 WQQKLWIYZZQIHT-UHFFFAOYSA-N 343.423 4.271 0 40 EIAB FC(F)(F)c1cc(NC(=S)NCc2ccncc2)ccc1Cl 225333336 LNJJBUHBXVENMI-UHFFFAOYSA-N 345.777 4.240 0 40 EIAB CCOc1ccccc1CCCNC(=S)Nc1cccc(C)c1 225394580 REWUDHYQZFTUFA-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB Cc1cc(C)cc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225842630 RHVPGKGXJGLJFM-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB COc1ccc(NC(=S)NC2(c3ccco3)CCCC2)c(OC)c1 225849088 IATJEDBWRGHPCP-UHFFFAOYSA-N 346.452 4.053 0 40 EIAB CCc1nc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc2n1C 225895555 YYIHXBQJFJYRLA-LBPRGKRZSA-N 341.842 4.280 0 40 EIAB CC(C)(C)C(=O)N(Cc1ccccc1)c1ncccc1Br 584906994 DCIRVBJXKJONOC-UHFFFAOYSA-N 347.256 4.423 0 40 EIAB Cc1nccnc1[C@@H](C)NCCc1c(C(F)(F)F)[nH]c2ccccc12 631677990 HGOQFLLKPVBWRQ-LLVKDONJSA-N 348.372 4.178 0 40 EIAB C[C@H]1CC(NC(=O)NCCc2ccc(F)cc2Cl)C[C@H](C)C1 1668593022 BKSAOZNMRVZEHA-VXGBXAGGSA-N 326.843 4.146 0 40 EIAB Cc1ccc(C)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c1 63520 NAZAPRLFAMLZSR-UHFFFAOYSA-N 327.383 4.356 0 40 EIAB CC1(C)CC(Nc2ncnc3sc4c(c23)CCCC4)CC(C)(C)N1 148070 ORCHOAQNSDIIHT-UHFFFAOYSA-N 344.528 4.291 0 40 EIAB C[S@@](=O)(=NC(=O)C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1 161183 DIZXDEQHMOLMDT-SFHVURJKSA-N 347.050 4.209 0 40 EIAB O=C1c2ccccc2CCC[C@]12O[C@H]2c1ccc(Br)cc1 163854 FFIGGUZNKZJROU-ROUUACIJSA-N 343.220 4.478 0 40 EIAB O=C1C[C@@H](c2cccc(F)c2)Sc2nc(-c3ccc(F)cc3)nn21 472460 XJXSJWHZUGCMNV-AWEZNQCLSA-N 343.358 4.101 0 40 EIAB COc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1Cl 505883 NGDAXNUPJOGHJT-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB c1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 521839 URIHKRCZXXJGGB-UHFFFAOYSA-N 326.359 4.288 0 40 EIAB COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 533448 DFWTZRRIVNVWEW-IAGOWNOFSA-N 340.814 4.086 0 40 EIAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(Br)cc1F 2514634 ASZOOZGJODBPIV-UHFFFAOYSA-N 348.215 4.025 0 40 EIAB Cc1cc(NC(=O)c2c(F)cccc2F)ccc1Br 3408113 YGBYAPDYEBQFIJ-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Br)c1 3452040 JBYVOGGVLXMGNQ-UHFFFAOYSA-N 329.197 4.112 0 40 EIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2C)c1 4120297 UNWPWHQPWDZZCH-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB C[C@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)S1 4207794 DISFNROFKDRZKM-ZDUSSCGKSA-N 343.427 4.351 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)C1CCCC1 4783431 LJPARTXWZLDCFR-HUUCEWRRSA-N 328.456 4.218 0 40 EIAB CCc1ccccc1NC(=O)CN1CCC(Cc2ccccc2)CC1 4904697 IXZUJIAGOUKCKI-UHFFFAOYSA-N 336.479 4.142 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1 5079895 PUCNDFFXONIPKL-UHFFFAOYSA-N 348.402 4.154 0 40 EIAB CCOC(=O)c1oc2ccccc2c1COc1ncnc2ccccc12 6560761 ANAZGVLKUQOEJL-UHFFFAOYSA-N 348.358 4.132 0 40 EIAB Cn1nc(Cc2ccc(Cl)cc2)n(Cc2ccccc2)c1=S 6938378 TUPDBRVPUQXNBI-UHFFFAOYSA-N 329.856 4.244 0 40 EIAB CCc1ccc(C(=O)CSc2nncn2-c2ccccc2F)s1 7223999 JMPAHXAALKWGOK-UHFFFAOYSA-N 347.440 4.005 0 40 EIAB Cc1nc(CSc2nnc(-c3cccs3)n2C2CC2)cs1 7763666 XYLZRFSIYACNKW-UHFFFAOYSA-N 334.495 4.399 0 40 EIAB COC(=O)c1c(C)[nH]c(-c2nc(NC3CCCC3)sc2C)c1C 7843286 VDEKOYUQBHZIIC-UHFFFAOYSA-N 333.457 4.205 0 40 EIAB CC(=O)NCc1ccc(-c2csc(COc3ccccc3)n2)s1 8042373 KFRXSQIBPQHVPK-UHFFFAOYSA-N 344.461 4.087 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2)no1 8061308 DRXMTRWHJLXYGS-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB O=c1oc2cc(Cl)ccc2n1CN1CCC[C@@H]1c1cccs1 8114277 HIFRPWMOMAFFIA-CYBMUJFWSA-N 334.828 4.104 0 40 EIAB Cc1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)oc1C 8333285 RHFJNULPCUUGPY-UHFFFAOYSA-N 345.449 4.146 0 40 EIAB Cc1nnc(CSc2nc(Nc3ccccc3)c3ccccc3n2)o1 8779024 INQOOPQGOAYIMV-UHFFFAOYSA-N 349.419 4.357 0 40 EIAB CCCCSc1nc2ccccc2c2nc(-c3cccnc3)nn12 9047185 BCDBZWWNQZAMGR-UHFFFAOYSA-N 335.436 4.232 0 40 EIAB CCc1noc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)n1 12728465 AFKIINMPYPXYBM-UHFFFAOYSA-N 347.469 4.136 0 40 EIAB Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCCC2)c1 12782220 UASGSKCAXINGKU-XLIONFOSSA-N 337.467 4.342 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)c1cc2ccccc2cc1O 12792895 FHDOUECMMAVPBM-UHFFFAOYSA-N 325.795 4.471 0 40 EIAB CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCCc4ccccc43)c2C1 13363810 ZVKYXDTXVCLQCA-OAHLLOKOSA-N 338.451 4.419 0 40 EIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3ccc(C)cc3)c2C1 14164153 GZMRDISOQMZXRR-INIZCTEOSA-N 346.430 4.410 0 40 EIAB Cc1ccccc1[C@@H](NC(=O)COc1ccccc1)c1ccccc1 20038317 FDDVCILQWKDFRV-QFIPXVFZSA-N 331.415 4.280 0 40 EIAB Cc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)c(Br)c1 20356959 VIMSNHCSEXPRAZ-SECBINFHSA-N 349.228 4.123 0 40 EIAB COc1ccc2cc(CN[C@@H]3CCN(Cc4ccccc4)C3)ccc2c1 23247702 MQPVEGYTPAORFR-JOCHJYFZSA-N 346.474 4.213 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc2ccccc2s1 28226991 VPMKNSOQAIGZJF-GFCCVEGCSA-N 338.432 4.191 0 40 EIAB Cc1ccc(-n2c(SCc3noc(C)n3)nc3ccccc32)cc1 31628503 BTTMTAXAKWVXFS-UHFFFAOYSA-N 336.420 4.318 0 40 EIAB CCc1ccc(C2=Nn3c(nnc3-c3cccs3)S[C@H]2C)cc1 32682299 RNZORJPKZSKONI-NSHDSACASA-N 340.477 4.316 0 40 EIAB Cc1cc(C)cc(C(=O)NCc2cccc(OCc3ccccn3)c2)c1 32930592 UZXCJSFOALEADH-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB Cc1ccc2nc(SCC(=O)Nc3nc(C)cs3)c(C)cc2c1 35291666 LUZWKWXUMASEJF-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB O=C(OCc1cc(-c2ccccc2F)on1)c1c[nH]c2ccccc12 36662629 VWCVRKIDHLMMGX-UHFFFAOYSA-N 336.322 4.319 0 40 EIAB COc1cc(C)c(N[C@H](C)c2nnc(-c3cccs3)o2)cc1OC 40463489 DYWWTUSKBHQPMA-LLVKDONJSA-N 345.424 4.297 0 40 EIAB Cc1ccc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cn1 45270427 FBOBBGDFOWCNSM-HNNXBMFYSA-N 347.871 4.080 0 40 EIAB CCc1ccc2c(CN3CCC[C@H](C(F)(F)F)C3)cc(=O)oc2c1 57331990 RQLCJMXCMZBSRP-AWEZNQCLSA-N 339.357 4.130 0 40 EIAB Cc1ccc(-c2nc(CN(C[C@H](C)O)c3ccccc3)cs2)o1 58425871 SINSEOBHZUCXOG-ZDUSSCGKSA-N 328.437 4.099 0 40 EIAB COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)c1 69741417 PNUXBXRUGZZWAS-HKUYNNGSSA-N 339.460 4.076 0 40 EIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](C2=Cc3ccccc3OC2)S1 71287340 OSHJFOAAVHTRMO-MRXNPFEDSA-N 341.436 4.483 0 40 EIAB O=C(OCc1ccccc1F)[C@@H]1CCCCN1Cc1ccccc1F 72202915 SIVUFRMHSLSRPC-IBGZPJMESA-N 345.389 4.063 0 40 EIAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 72227809 LZNRWHKKEUWPNS-KGLIPLIRSA-N 341.625 4.062 0 40 EIAB Cc1ccc(F)cc1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 72314275 OVRDQWRQOLDCPZ-IBGZPJMESA-N 342.414 4.038 0 40 EIAB COC(=O)Nc1ccccc1OCc1nc(-c2ccco2)oc1C 80286160 UAMLNWFNFFYZMO-UHFFFAOYSA-N 328.324 4.000 0 40 EIAB CN(C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1CCCCCC1 83855629 VRYUQGGFWFTTOS-RBUKOAKNSA-N 348.462 4.410 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)[C@@H]1C[C@@H]1c1ccccc1F 84504683 UAJXKPUARLARNJ-QZTJIDSGSA-N 338.426 4.164 0 40 EIAB O=C(c1ccccc1Cl)c1ccccc1CN1CCSCC1 85651675 BZHWTZFKWJGCPF-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB COc1ccc(C(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612080 ARANZZFDZFZACS-UHFFFAOYSA-N 327.405 4.192 0 40 EIAB Fc1c(Br)ccc(OC(Cl)(Cl)Cl)c1F 95215622 PEAHQIBFFJYOEW-UHFFFAOYSA-N 326.351 4.434 0 40 EIAB CNC(=O)c1ccc(CNc2ccc(-c3ncc(C(C)C)o3)cc2)cc1 95429217 MUCXXWCZVWMPEC-UHFFFAOYSA-N 349.434 4.437 0 40 EIAB CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C 95447023 GCOGKJPJCOJOCU-HNAYVOBHSA-N 333.447 4.350 0 40 EIAB O=C(Nc1ccccc1Cl)[C@H]1CCCN1c1nc2ccccc2o1 96122587 DDWZNWACHYNZGQ-OAHLLOKOSA-N 341.798 4.089 0 40 EIAB CO[C@H](CNC(=O)Cc1cccc2ccccc12)c1cccc(F)c1 96388142 FJJVQCMJJFAAFG-HXUWFJFHSA-N 337.394 4.025 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1Cl 113971037 GYIYSUMRUXVFMB-QGZVFWFLSA-N 331.843 4.431 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCS[C@H](c2ccco2)CC1 207008760 XCRWMEFVFNRQJN-KRWDZBQOSA-N 327.405 4.346 0 40 EIAB COC(=O)c1ccc(NC(=O)CCc2cccc3ccccc23)cc1 222659656 ODGIYCATUZNWMR-UHFFFAOYSA-N 333.387 4.198 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1ccccc1Cl 225439647 QXVCXEABSBRHNY-UHFFFAOYSA-N 345.870 4.420 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1 225680624 GXJOHFXLLBXOFI-CYBMUJFWSA-N 347.455 4.182 0 40 EIAB CN(C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1)c1ccccc1 226304111 JRVCCGNVWWZOSO-UHFFFAOYSA-N 326.783 4.459 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCC[C@@H](C)C1 226330469 BAHHRYPXNWHVRQ-CYBMUJFWSA-N 341.430 4.205 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 248251034 IZSDRPZNOODBAV-OPOADAIRSA-N 339.564 4.383 0 40 EIAB CN(C(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(F)cc1 390833846 NWYLPWXGKBVWCA-UHFFFAOYSA-N 347.296 4.090 0 40 EIAB O=C(CCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccc1 506935762 CVKVIPCWUHYOAV-UHFFFAOYSA-N 347.462 4.376 0 40 EIAB O=C(NCc1cncc(-c2cccnc2)c1)c1cccc2ccccc12 828176559 KRFNRHBAUITKBC-UHFFFAOYSA-N 339.398 4.227 0 40 EIAB COc1ccc2cc(-c3cccc(Br)c3)c(=O)oc2c1 57818 NJMPMYZBFOQWIK-UHFFFAOYSA-N 331.165 4.231 0 40 EIAB biogenic CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl 350077 JGYAJTIDIBPQBM-UHFFFAOYSA-N 329.812 4.009 0 40 EIAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)cc1 354416 LJIMSBCRUOKKBY-SFHVURJKSA-N 328.799 4.046 0 40 EIAB Cc1ccc(NC(=O)[C@@H](CC(=O)O)Cc2ccc(Cl)cc2)cc1C 550316 DQVAAYDQDWPFNI-OAHLLOKOSA-N 345.826 4.229 0 40 EIAB Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)c1C 1369690 FOZXPCHROMNVJF-QZTJIDSGSA-N 343.540 4.138 0 40 EIAB O=C(c1cccc(Br)c1)c1cccc(CN2CCCC2)c1 2515060 RYNJPCGDZLBCIU-UHFFFAOYSA-N 344.252 4.276 0 40 EIAB CSc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 5211571 GMVZVTXRPGQZHX-SECBINFHSA-N 349.506 4.413 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 5598789 AOUUWYTZMVSURT-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB Cc1nc2ccccc2nc1S[C@H]1C(=O)[C@H]2CC[C@]1(C)C2(C)C 5724553 GCSYATYZPFDPDT-GFJSAUFNSA-N 326.465 4.424 0 40 EIAB Cc1ccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc1 5928853 AZGAJVIHGMXBAG-UHFFFAOYSA-N 339.394 4.479 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 6304587 OQHMNEGOKQMOFM-VTZQMFNYSA-N 332.484 4.242 0 40 EIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 7052380 BHULBLDSNDGCRU-CYBMUJFWSA-N 331.437 4.204 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1ccc(F)cc1 8269521 QAFSWILBOIISRV-UHFFFAOYSA-N 349.789 4.398 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccccc1F 8347228 KLSBUHMBZXGLCI-LBPRGKRZSA-N 328.412 4.198 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccccn1 8624510 PRIDMAYBYPQLFL-UHFFFAOYSA-N 330.453 4.119 0 40 EIAB CC1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 9576467 AIBNZHABXLUOJQ-DVBCCOPCSA-N 347.462 4.171 0 40 EIAB COc1ccccc1-c1nnc(SCc2cccc(Cl)c2)[nH]1 10475525 KLIWGBBOVDLVAB-UHFFFAOYSA-N 331.828 4.426 0 40 EIAB COc1cccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)c1 11557738 CBEGORLMVWGYJQ-OAHLLOKOSA-N 332.400 4.193 0 40 EIAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 12541493 OCMHSUOAVFSELN-OAHLLOKOSA-N 341.411 4.050 0 40 EIAB CN(C(=O)CN(C)C(c1ccccc1)c1ccccc1)c1ccccc1 12916402 LXLVIDCOVYMBEC-UHFFFAOYSA-N 344.458 4.371 0 40 EIAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13253632 IOKMYVLRPTUSGT-YUMQZZPRSA-N 348.613 4.252 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 13840292 LLAOOFCBCDYFTB-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CCOC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)c(CN(C)C)c2c1 13943903 KSPMHWWDFZQZNN-UHFFFAOYSA-N 336.435 4.382 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccccc1Cl)O[C@@H](C)C2 14023458 JCQQKTLFROYEGL-NSHDSACASA-N 331.799 4.314 0 40 EIAB COc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 14129259 YSGJACODKMVUQA-OAHLLOKOSA-N 341.436 4.144 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(OC)c1OC 14198898 NREPAEGIBZHELF-UHFFFAOYSA-N 343.423 4.262 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 15389739 XFBANDNOVIFJDD-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB c1cncc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 15906770 RAPXSDWLIGKFFK-QFBILLFUSA-N 333.416 4.385 0 40 EIAB C/C=C/c1cc(C(=O)NCc2cccc(Cl)c2)cc(OC)c1OC 18230472 JISFAMXFAMYBNJ-GQCTYLIASA-N 345.826 4.320 0 40 EIAB COc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1 19557797 REOBJUYTIICUHR-GJZGRUSLSA-N 328.462 4.190 0 40 EIAB Clc1ccc(CN2COc3ccc(Br)cc3C2)cc1 19856924 GHGJWVFTDNYODN-UHFFFAOYSA-N 338.632 4.455 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 19935008 BLOAIWFVFRJXAS-GFCCVEGCSA-N 335.856 4.318 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CC[C@@H]2CCCC[C@@H]2C1 21905394 WDHFCXZRAOLIIQ-UONOGXRCSA-N 349.858 4.154 0 40 EIAB Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)cc1F 23174533 ZENBJWNCHZFQJA-UHFFFAOYSA-N 342.370 4.232 0 40 EIAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 26423301 ZKTPZMGXZXVKNU-UHFFFAOYSA-N 336.269 4.166 0 40 EIAB Cc1cc(C)c(NS(=O)(=O)c2cc(C)cc3cccnc23)c(C)c1 30836365 KZQHWUNXRDUBTM-UHFFFAOYSA-N 340.448 4.269 0 40 EIAB CCc1ccc(CNC(=O)c2cc(F)ccc2Br)s1 32930301 KWSZFDOAQDMILN-UHFFFAOYSA-N 342.233 4.142 0 40 EIAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)cc1 35290312 GHTIMUJOQBTQAR-FRIKZZABSA-N 348.490 4.311 0 40 EIAB O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3ccc(F)cc3)c2N1 35324440 SDLCBZPCJPMFSM-HNNXBMFYSA-N 341.773 4.139 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl 37974770 NQVHQSLXELJGHG-UHFFFAOYSA-N 338.632 4.375 0 40 EIAB O=C(COCc1ccccc1Cl)Nc1cccc2cccnc12 44314062 QCVKTQARBDFGOS-UHFFFAOYSA-N 326.783 4.044 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 44902692 SOPBREZOCRFJHE-LJQANCHMSA-N 341.451 4.176 0 40 EIAB CCCOc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1Cl 48123964 XAKBFJJPELYIHS-UHFFFAOYSA-N 337.807 4.089 0 40 EIAB CSc1cccc2sc(NC(=O)NCc3cccs3)nc12 56906015 WJPUDIXPQUFJNS-UHFFFAOYSA-N 335.479 4.401 0 40 EIAB O=C(COC1CCCCC1)Nc1ccc(-n2cnc3ccccc32)cc1 58412016 NCLXDSVCRBHKKL-UHFFFAOYSA-N 349.434 4.313 0 40 EIAB COc1cccc(C[S@](=O)Cc2nc(-c3ccccc3)oc2C)c1 69491121 YNQHQZLPFNMXPY-XMMPIXPASA-N 341.432 4.108 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 70051766 GXUKNOHRHQSXGF-GFCCVEGCSA-N 334.366 4.036 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2[nH]ccc2c1 72403807 VPERNWBPZXDWAW-UHFFFAOYSA-N 344.418 4.152 0 40 EIAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2cccs2)C1 75165876 CKLXUCIFHRVCAK-LSDHHAIUSA-N 344.436 4.038 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccnc(Br)c1 79096972 JJVHUXLPPMSYMI-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1 85472391 HPWAGWAHVXAOHZ-UHFFFAOYSA-N 329.465 4.374 0 40 EIAB O=C(C1CCC(F)(F)CC1)N(c1cccc(F)c1)C1CCOCC1 95991102 LEMGSJOEFNLNSB-UHFFFAOYSA-N 341.373 4.163 0 40 EIAB c1cc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)cs1 96260717 DKOYVDGEUXAFEK-UHFFFAOYSA-N 338.480 4.047 0 40 EIAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(-n2cccn2)cc1 96404403 GHFRTVPTTFNEIR-PSLXWICFSA-N 328.412 4.021 0 40 EIAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102299660 KRBRJHDNAYUDKD-MKSNKDDYSA-N 329.484 4.304 0 40 EIAB O=C(OCc1nc2ccccc2o1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102343210 JOQAJGVGZOQEPD-NYYJTOMGSA-N 345.826 4.449 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CCCC1=N2 102675332 YJJDXIBXJWLBNU-ZDUSSCGKSA-N 332.454 4.123 0 40 EIAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccccc1F 107985915 HECWNMGCJBEEFZ-UHFFFAOYSA-N 336.366 4.012 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccccc1C(C)C 216368625 OMUNLXJEUWPULI-INIZCTEOSA-N 341.451 4.245 0 40 EIAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224713509 WUMABDUSLABITB-UHFFFAOYSA-N 337.872 4.480 0 40 EIAB CCOc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225107249 MDJLFGZSWLUREL-QGZVFWFLSA-N 334.799 4.122 0 40 EIAB CC[C@@H](C)Oc1ccc(I)c2cccnc12 225391048 JZALNZKWTUWOBF-SECBINFHSA-N 327.165 4.017 0 40 EIAB COc1cccnc1NC(=S)N[C@@H](C)CC(C)(C)c1ccccc1 225662173 HMZQEFIXTFPMID-AWEZNQCLSA-N 343.496 4.133 0 40 EIAB O=C(NCCSCc1cccc(Cl)c1)NC1CCCCC1 225754391 ORYZYEJQEQYJEE-UHFFFAOYSA-N 326.893 4.205 0 40 EIAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900324 PPLRWFDGTGDDCF-AUUYWEPGSA-N 334.460 4.103 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCC1CCCCC1 408708109 GUVXDANPTACRSI-UHFFFAOYSA-N 330.472 4.009 0 40 EIAB CCOC1CC(c2nc(Cc3cc(Cl)ccc3Cl)no2)C1 585084171 CEZNCKCRBWKXNB-UHFFFAOYSA-N 327.211 4.250 0 40 EIAB Cc1cc(OCCCn2nc(C3CC3)cc2C(=O)O)cc(C)c1Cl 2037873556 WKABCDFYGCOYSY-UHFFFAOYSA-N 348.830 4.198 0 40 EIAB O=c1c(Cl)c(Cl)cnn1Cc1cccc(Oc2ccccc2)c1 138582 NAUSSHSUQOJQPP-UHFFFAOYSA-N 347.201 4.391 0 40 EIAB Cc1cc2cccc(C)c2nc1SCC(=O)NCc1ccccc1 420655 FZVYXJNBKPKTDD-UHFFFAOYSA-N 336.460 4.260 0 40 EIAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)O2)cc1 3279896 RREMZUKAHJITRP-SFQUDFHCSA-N 349.386 4.027 0 40 EIAB Cc1sc2ncnc(NC[C@@H](c3ccccc3)N(C)C)c2c1C 3301301 JBYBSZIEQWWITL-HNNXBMFYSA-N 326.469 4.023 0 40 EIAB Cc1ccc(C)c(OCCn2cc(C(F)(F)F)cc(Cl)c2=O)c1 3314704 FYGLYXYLGSXMEL-UHFFFAOYSA-N 345.748 4.216 0 40 EIAB Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1F 3350302 BGMDZFYZZWYDBL-JXMROGBWSA-N 325.412 4.427 0 40 EIAB O=C(c1cccc(F)c1)N1CCN=C1SCc1cccc(Cl)c1 4120621 OLNWCLTZBPAISJ-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1nc(C)nc2ccccc12 4562845 SODBXBPNUFCIBW-UHFFFAOYSA-N 338.432 4.442 0 40 EIAB CN(C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1Cl 5573659 ZUSLYFXPBPWQOH-XHDPSFHLSA-N 330.255 4.271 0 40 EIAB Clc1ccc(C2=NNC(c3cccnc3)=Nc3ccccc32)cc1 6557750 RZQHVNWVFYJQDQ-UHFFFAOYSA-N 332.794 4.169 0 40 EIAB COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112640 VQAADMNQHZDCRM-LJQANCHMSA-N 334.375 4.055 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(N)c2)c1 7468346 AKBFDIRBAFXFQW-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB C[C@H](NC(=O)CSc1ccccn1)c1ccc(Cl)cc1Cl 7699798 MUKYYYGAHXFRES-JTQLQIEISA-N 341.263 4.358 0 40 EIAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 8747688 JRNPLYQGWSRDAQ-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB CCCNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854285 YYQFDVVWQBAORG-UHFFFAOYSA-N 340.901 4.158 0 40 EIAB Cc1ccc2c(COC(=O)c3cc4ccccc4o3)cc(=O)oc2c1 9534627 XTEJFJWGYVNKSU-UHFFFAOYSA-N 334.327 4.205 0 40 EIAB Cc1cccc(CCCNC(=O)CSCc2ccccc2C)c1 10110620 PYBRTEMYYUKIFP-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB CCCCOc1ccc(C(=O)N[C@H](C)CC)cc1Br 10120511 WDSJGOTTYWTXCR-LLVKDONJSA-N 328.250 4.156 0 40 EIAB CCOC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 10824938 DKYJBWBMRZRYTE-UHFFFAOYSA-N 327.424 4.018 0 40 EIAB CC(C)COc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 11915481 LRCNELLFCAZIJP-CYBMUJFWSA-N 328.412 4.087 0 40 EIAB Nc1cc2ccccc2nc1C1CCN(C(=O)C2CCCCC2)CC1 12087761 LYOAKUMIBOBBOW-UHFFFAOYSA-N 337.467 4.103 0 40 EIAB CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 13720794 FPFUJJBMKMJVIY-FQEVSTJZSA-N 344.418 4.108 0 40 EIAB O=C(Nc1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14169826 WPQMPVAPRCWNLZ-UHFFFAOYSA-N 347.422 4.316 0 40 EIAB CSc1nc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2s1 15896751 KVFPHBXYORAUGE-UHFFFAOYSA-N 340.433 4.147 0 40 EIAB Cc1cc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)sc1C 19124680 RCKCHTVCYSBWAO-UHFFFAOYSA-N 339.464 4.261 0 40 EIAB CCOc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 19165534 DKZJZFTZFMNYPT-UHFFFAOYSA-N 345.508 4.262 0 40 EIAB CN1CCN([C@@H]2Cc3ccccc3Sc3cccc(Cl)c32)CC1 19802367 HCYCWVOZOUONBP-MRXNPFEDSA-N 344.911 4.336 0 40 EIAB Cc1ccccc1NCc1nnc(SCC(=O)c2cccs2)o1 19897473 PAHSTPQZHHJUHI-UHFFFAOYSA-N 345.449 4.027 0 40 EIAB CC1=C(C(=O)OCC2CCCCC2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20375210 ONMLSLZLTMJBPU-UWJYYQICSA-N 341.451 4.270 0 40 EIAB COc1cc(CNc2nc(-c3cccs3)nc3ccccc23)ccn1 25510235 NISAFGVOLSRMSX-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@@H]2CCCC[C@H]21 25530100 WLTGVPPFUWPJRC-DZGCQCFKSA-N 330.453 4.127 0 40 EIAB C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)C1 28226915 ISWJIORLRCNOSS-OAHLLOKOSA-N 339.435 4.219 0 40 EIAB CCOc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 28237953 GZLGJKCTGKQIMK-UHFFFAOYSA-N 335.407 4.140 0 40 EIAB CC(C)OCc1ccccc1CNC(=O)c1c(F)cccc1Cl 30367803 ZHMDKXGKHVRGJF-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc1 30871023 VYUQAHBSJQMWTJ-CQSZACIVSA-N 347.455 4.064 0 40 EIAB COc1ccc(C(C)=O)c(OCc2cc(F)cc3cccnc23)c1 31606736 FJBXXCHESTZAOA-UHFFFAOYSA-N 325.339 4.164 0 40 EIAB Cc1cc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)sc1C 36390701 PZCWSSGJXLXBAJ-SNVBAGLBSA-N 325.380 4.457 0 40 EIAB O=C(NCCc1ccc(O)cc1)Nc1cc(Cl)ccc1Cl 38031940 GWMXVWCLCMNBBT-UHFFFAOYSA-N 325.195 4.063 0 40 EIAB Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)no1 41136542 WCLMJAAOHCDDJD-HNNXBMFYSA-N 332.812 4.217 0 40 EIAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 44839492 PGRXRVLZXJBJFS-INIZCTEOSA-N 327.424 4.040 0 40 EIAB Cc1c([C@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)oc2ccccc12 46650268 FZWFSKOUZQJNBU-XJKSGUPXSA-N 348.402 4.044 0 40 EIAB COc1ccc(CN[C@@H](C)c2ccc(Cl)s2)c(OC)c1OC 46837473 LAOHZYIPHZJICH-JTQLQIEISA-N 341.860 4.278 0 40 EIAB CN(Cc1csc2ccccc12)C(=O)c1cc2ccccc2c(=O)[nH]1 46920376 ZFFBPKNXVYDSSI-UHFFFAOYSA-N 348.427 4.015 0 40 EIAB O=C(C[C@H]1CCCO1)N[C@H](c1ccccc1)c1cc2ccccc2o1 49621384 BJDDJPUUVNONCG-DYESRHJHSA-N 335.403 4.208 0 40 EIAB Cc1cc(C)n(-c2nc3ccc(N4CCCC[C@@H]4C)cc3s2)n1 57328167 HOVKIWJXXZVONJ-ZDUSSCGKSA-N 326.469 4.478 0 40 EIAB O=C(C[C@H]1C=CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 60369740 QHFRKFBANUQGIP-RDJZCZTQSA-N 337.423 4.147 0 40 EIAB Cc1cc(C)n(C[C@@H](C)NCc2cnc(-c3ccccc3C)s2)n1 65535522 KKVGIMFJWUGPEB-OAHLLOKOSA-N 340.496 4.110 0 40 EIAB CN(C)C(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl 65740168 PHEVCOKHWYKTOS-UHFFFAOYSA-N 339.222 4.073 0 40 EIAB in-vitro Cc1nnsc1C(=O)Nc1cccc2c1ccn2CCC(C)C 72404289 BOUDXFLQUSRNFE-UHFFFAOYSA-N 328.441 4.100 0 40 EIAB C[C@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)c2ccccc21 77216074 DPFNGJCMYDIVTG-ZDUSSCGKSA-N 335.432 4.299 0 40 EIAB C[C@@H](c1ccco1)N(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 86339915 JIQBDEAMHAEEMV-BBRMVZONSA-N 326.396 4.038 0 40 EIAB OC[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 92764557 QVYIOGJUYQKFGZ-LLVKDONJSA-N 326.223 4.068 0 40 EIAB CC[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1 95420842 IDPAVSGUUHVFCG-DLBZAZTESA-N 344.480 4.107 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(C)c1 224387584 DBRDPDMGXWLMDF-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB CCOc1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1 225524142 MZJNLJOQBVCESM-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB Cc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)c(C)c1 225841767 CGZZYDUXHMAGAS-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 226301502 ZCBGOBKRWZUCNX-VXGBXAGGSA-N 332.831 4.300 0 40 EIAB CC(=O)N[C@]1(C)C[C@H](c2c(C)cccc2C)O[C@@H]2C[C@H](C)CC[C@H]21 257344745 ZYNHJQHSFKOIGY-VWHKRPIESA-N 329.484 4.464 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(C)=O)cc1 408679690 JVVUWEHQBNUMGP-QGZVFWFLSA-N 346.814 4.095 0 40 EIAB COc1cccc(NC(=O)[C@@H](C)n2cc(C(C)=O)c3ccccc32)c1 409203100 WIICQZAMUBQUCJ-CYBMUJFWSA-N 336.391 4.052 0 40 EIAB CC(C)n1nccc1/C=C(\CC(=O)O)c1nc2ccccc2s1 530475171 HIJJWSVFEDKIGQ-FMIVXFBMSA-N 327.409 4.089 0 40 EIAB Cc1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)s1 570991921 VEJUDUKFNNPMHP-MRXNPFEDSA-N 347.484 4.061 0 40 EIAB C[C@H]1CC(c2ccc(Cl)cc2)=NN([C@@H](C)c2ccncc2)C1=O 634627157 WLSSOKLUTNTFPJ-STQMWFEESA-N 327.815 4.069 0 40 EIAB O=C(CC1CCCCCC1)N1C[C@H](n2cccn2)Cc2ccccc21 1126601681 JLVJDDGXOMWENA-LJQANCHMSA-N 337.467 4.374 0 40 EIAB FC1(F)CCC[C@H]1Nc1nc(-c2ccccn2)nc2sccc12 1559173626 XATQFWCRQLYOQZ-GFCCVEGCSA-N 332.379 4.353 0 40 EIAB C[C@H]1C[C@H](Nc2nc(-c3ccnc(C(F)(F)F)c3)cs2)CCO1 1615044443 DUBWVTFDZVNMGK-GXSJLCMTSA-N 343.374 4.203 0 40 EIAB Cc1cnn(C2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)c1 1615060446 GZVNBOKBKWZJEE-UHFFFAOYSA-N 344.768 4.100 0 40 EIAB O=C(NCC1(c2ccsc2)CC1)c1csc(-c2ccccc2)n1 1889065076 PXZDYGIJVDFFMW-UHFFFAOYSA-N 340.473 4.333 0 40 EIAB CS[C@H]1CCCC[C@]1(O)CSc1nc2ccccc2s1 33351 OXHBWMPKGGPMAO-ZFWWWQNUSA-N 325.524 4.425 0 40 EIAB Cc1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 45802 DLBYJEZTMNYFEQ-UHFFFAOYSA-N 337.423 4.265 0 40 EIAB Cc1cc(C)n(-c2ccc(SCc3ccc(Cl)cc3)nn2)n1 91435 MARFIHHWWGKKBA-UHFFFAOYSA-N 330.844 4.225 0 40 EIAB Cc1cccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1 226902 LJELSRDGWOYYLE-NRFANRHFSA-N 344.414 4.046 0 40 EIAB CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 386539 JIIMHIOYMNXTKM-UHFFFAOYSA-N 333.181 4.179 0 40 EIAB Cn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccccc1 422275 COJYTBDTGOONBW-UHFFFAOYSA-N 344.871 4.373 0 40 EIAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 537070 ABRPZKOCEXIQKC-CQSZACIVSA-N 332.812 4.004 0 40 EIAB FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccccc3n12 1388169 BQHLYYOWGVWXDC-UHFFFAOYSA-N 346.337 4.448 0 40 EIAB O=c1cc(-c2ccc(Cl)cc2)sc2nnc(-c3ccccc3)n12 1425164 MWJPJDBFJPKMHJ-UHFFFAOYSA-N 339.807 4.138 0 40 EIAB COc1cccc(OC)c1C(=O)OCc1ccc(C(C)(C)C)cc1 1787447 ARVLWIFEMJOMDQ-UHFFFAOYSA-N 328.408 4.358 0 40 EIAB CCN(CC)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 2639763 KDWDYLJCRSUZOM-UHFFFAOYSA-N 332.831 4.447 0 40 EIAB O=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1 2641519 OTICARRAKZKIBS-UHFFFAOYSA-N 339.298 4.069 0 40 EIAB Cc1ccc2nc3c(nc2c1)Sc1nc2ccccc2nc1S3 3148246 HJSYGYQQBAFYFD-UHFFFAOYSA-N 334.429 4.497 0 40 EIAB Cc1sc2ncnc(SCC(=O)NC3CCCCCC3)c2c1C 3562729 BQXVKMBYDZBSMH-UHFFFAOYSA-N 349.525 4.239 0 40 EIAB CCCCn1c(SCC(=O)O)nc2cc(C(F)(F)F)ccc21 3888507 HKZNNPXOHXDRCW-UHFFFAOYSA-N 332.347 4.032 0 40 EIAB CCc1ccccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 4000105 PHNPOMMCBHHQPN-UHFFFAOYSA-N 347.414 4.201 0 40 EIAB biogenic CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)C1 4872762 MHXKZCNHVYKVPQ-VJICWTENSA-N 331.500 4.199 0 40 EIAB CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 5525926 KPQKKMVTRAAYBE-UHFFFAOYSA-N 346.217 4.206 0 40 EIAB CCOC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 6784863 AASPLTJXMYVCMR-UHFFFAOYSA-N 342.395 4.091 0 40 EIAB COc1cc(NC(=O)COc2cc(C(C)C)ccc2C)cc(OC)c1 6790591 ACPMKXGRUWXYBN-UHFFFAOYSA-N 343.423 4.153 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1ccc(NC(C)=O)cc1 7027670 FJBCKXKVAUGMIJ-UHFFFAOYSA-N 329.421 4.149 0 40 EIAB CC(=O)Nc1ccc(SCC(=O)c2cc3ccccc3o2)cc1 7028378 FFXVURCOTDFJKA-UHFFFAOYSA-N 325.389 4.366 0 40 EIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(Cl)c1 7725691 RJHIPLFULUWEAT-UHFFFAOYSA-N 344.798 4.167 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccsc1 7926847 XEZUWOQXOBEEMH-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 10351413 YKBYCKPRRQPDIL-FZKQIMNGSA-N 344.405 4.341 0 40 EIAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c2c1[C@H](C)CC2=O 11052479 FPBKGYTZXTVAMQ-GFCCVEGCSA-N 343.810 4.356 0 40 EIAB Cc1nc2ccc(NC(=O)CC3(C(=O)O)CCCCCC3)cc2s1 13249555 JYWNYBGMTBJEQJ-UHFFFAOYSA-N 346.452 4.359 0 40 EIAB C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1C)CCCC3 13596191 IKVITQKMQWHWGW-VQHVLOKHSA-N 340.901 4.109 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13669568 MIEBUZMOPMJPTR-CQSZACIVSA-N 341.451 4.492 0 40 EIAB Clc1ccc(-c2cc(CSc3nnc4ccccn34)on2)cc1 14185290 XBDVCJVYPVBJFB-UHFFFAOYSA-N 342.811 4.330 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 15422577 QYYORKSSSNYKRO-UHFFFAOYSA-N 338.338 4.296 0 40 EIAB Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccccc2Cl)o1 15784704 VTHVBXZAJSBFBQ-UHFFFAOYSA-N 344.798 4.059 0 40 EIAB C[C@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(Cl)cc1Cl 16608910 YKVKJYGGCONHPB-AOOOYVTPSA-N 332.300 4.458 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1F 19736786 CCXFRCAJSLDLNO-OLZOCXBDSA-N 330.403 4.327 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccc(Cl)cc1 19933966 UUVXZKFVWSSERC-GOSISDBHSA-N 347.842 4.165 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)c1ncnc2sccc12 20669670 KVSOAPYROBFOMC-UHFFFAOYSA-N 349.463 4.130 0 40 EIAB CCSC1=NC2(CCNCC2)N=C1c1ccc(C(C)(C)C)cc1 20848456 MJDGIZAJURXOCK-UHFFFAOYSA-N 329.513 4.018 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 21368969 GBTWOZZJKPSUQO-HZPDHXFCSA-N 349.430 4.493 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2cccc(F)c2)cc1 22072191 PTGVRQAPFRGHJG-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB O=C(Nc1cccc(F)c1)c1ccccc1NC(=O)[C@H]1CC=CCC1 25045034 LYBXFMCGLXOGRB-AWEZNQCLSA-N 338.382 4.373 0 40 EIAB Cc1cc2cc(NC(=O)C3(c4ccccc4)CCOCC3)ccc2[nH]1 25129188 NOIPIKMPJSEROG-UHFFFAOYSA-N 334.419 4.163 0 40 EIAB CCc1oc2ccccc2c1CN(C)C(=O)c1n[nH]c2ccccc12 32819245 NEGRDNHPKUQPLP-UHFFFAOYSA-N 333.391 4.144 0 40 EIAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)n1C 33232488 DPLQJWABVHHCDL-HNNXBMFYSA-N 339.464 4.311 0 40 EIAB CC(=O)c1ccc(OCCC(=O)Nc2cccc3c2CCCC3)cc1 36385435 PIOZSGIOLPAOER-UHFFFAOYSA-N 337.419 4.176 0 40 EIAB O=C(Cn1c2c(c3ccccc31)CCC2)Nc1cc(F)ccc1F 36708628 WTWHSPFFJGZANN-UHFFFAOYSA-N 326.346 4.047 0 40 EIAB Cc1cccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c1C 41156724 AOGFUXURDOOHIW-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB CCc1cc(Br)c2oc(-c3cc(N)c(C)c(N)c3)nc2c1 57351260 FQWNELGCDCXEBW-UHFFFAOYSA-N 346.228 4.293 0 40 EIAB CCCc1sc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1CC 58139411 UYQXQZFHWKZQAN-CQSZACIVSA-N 331.485 4.354 0 40 EIAB CSc1cccc(NC(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)c1 58330753 PWFPMZFUHZYLAM-KDOFPFPSSA-N 335.517 4.041 0 40 EIAB C[C@@H](CNc1cc(-c2ccccc2)c2ccccc2n1)N1CCOCC1 58356086 SQFTUSKBIPGAFO-KRWDZBQOSA-N 347.462 4.034 0 40 EIAB c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1 60533692 VFJIUQZAQXWGHB-UHFFFAOYSA-N 338.461 4.347 0 40 EIAB CC(C)N1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 65500084 RBRZFINSUYTZRS-UHFFFAOYSA-N 331.463 4.432 0 40 EIAB C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)c(Cl)c1 65611463 GUWZZDYXNPBGSQ-LLVKDONJSA-N 349.789 4.131 0 40 EIAB CC(=O)Nc1ccc(C)cc1OCc1nc(-c2ccccc2)oc1C 69630017 MOQHWZYTTUHWPB-UHFFFAOYSA-N 336.391 4.496 0 40 EIAB CNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c(C)n1 72219130 UTDURVZYFAEURB-SFHVURJKSA-N 339.439 4.296 0 40 EIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N(C)Cc1ccccc1 72222353 WCWWHRXQULLZKQ-UHFFFAOYSA-N 341.455 4.051 0 40 EIAB Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1C 72227882 QAEKGBLJTWGMJU-JKSUJKDBSA-N 335.234 4.025 0 40 EIAB CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 72346626 VNBQJFAKIYBISH-LZLYRXPVSA-N 343.467 4.144 0 40 EIAB CCc1nc(C[S@](=O)Cc2nc(-c3ccccc3)oc2C)cs1 79324534 DCVGGVURPVYPNR-HSZRJFAPSA-N 346.477 4.118 0 40 EIAB Fc1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(F)cc2)cc1 79439288 QTUZDQRFYDFJHL-BGYRXZFFSA-N 330.422 4.155 0 40 EIAB O=C(Nc1ccccc1-c1ncc[nH]1)c1cccc(C(F)(F)F)c1F 79912075 IIHMPHRHNIWXAA-UHFFFAOYSA-N 349.287 4.487 0 40 EIAB O=C(NCc1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 84539240 JUZUWVFBJMZOMQ-UHFFFAOYSA-N 338.407 4.440 0 40 EIAB O=C(c1scnc1C1CC1)N1CCC[C@@H](c2ccccc2)CC1 89814301 SLWZKXFENFIVNI-OAHLLOKOSA-N 326.465 4.430 0 40 EIAB Cc1cc(N[C@@H](c2ncc(C)s2)C2CC2)nc(-c2ccccn2)n1 95402786 BNDZATWDYUORRS-MRXNPFEDSA-N 337.452 4.175 0 40 EIAB C[C@@H](NC1CCN(c2ccccn2)CC1)c1nc(C(C)(C)C)cs1 95422093 PHOQQWLGAZOYLG-CQSZACIVSA-N 344.528 4.155 0 40 EIAB C[C@@]1(C(=O)Nc2cccc(F)c2)CC(c2ccccc2Cl)=NO1 96192864 XRHMGXBWNAAOCQ-KRWDZBQOSA-N 332.762 4.001 0 40 EIAB CCCC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 107627143 MDVRESWGACIQGC-UHFFFAOYSA-N 338.382 4.402 0 40 EIAB O=C(Cc1ccccc1Cl)N1CCS[C@@H](c2ccco2)CC1 207009227 JFIIAVWVBATQHW-MRXNPFEDSA-N 335.856 4.182 0 40 EIAB COc1cccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222605426 GKFIJWYGUDCBNA-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccc3ccccc3c2)c1 222834770 OHBLIVWTLKJICW-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](C)c1ccccc1 224444542 VQOQAYDZZUOSQZ-RDTXWAMCSA-N 331.843 4.417 0 40 EIAB O=C(NCCCc1ccc(F)cc1)C1(c2ccccc2)CCCC1 224563679 XYKYJKOFJMAKSP-UHFFFAOYSA-N 325.427 4.387 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 224634324 QINGWVIOCBDTOZ-HOTGVXAUSA-N 349.430 4.493 0 40 EIAB O=C(O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948234 PJEGQIJYPZXFDD-UHFFFAOYSA-N 344.164 4.469 0 40 EIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)s1 225005364 NHEDRVHBBOSBME-IAGOWNOFSA-N 343.521 4.367 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225365191 FIBIGNLBWONCOG-UHFFFAOYSA-N 343.810 4.452 0 40 EIAB Cc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 225781286 QDRGXKSDZYWLMK-SFHVURJKSA-N 337.463 4.229 0 40 EIAB O=C1N/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccccc1 409204745 JXYJKDRVNLUWMX-OQLLNIDSSA-N 347.201 4.086 0 40 EIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 409232876 CAHGNEMKMWFTJN-XDHOZWIPSA-N 334.419 4.211 0 40 EIAB C[C@H](c1ccccc1)N1CC[C@@H](Oc2ccncc2Br)C1 1888860432 FKSVHZVGMYAORG-UKRRQHHQSA-N 347.256 4.058 0 40 EIAB O=C(CN1CCCc2ccccc21)Nc1cccc(Cl)c1Cl 395800 HPJFHAJPOZRDTD-UHFFFAOYSA-N 335.234 4.385 0 40 EIAB Cc1ccc(Cn2c(-c3ccc[nH]c3=O)nc3cc(C)c(C)cc32)cc1 1401757 DRMYXQJBAMOBJH-UHFFFAOYSA-N 343.430 4.365 0 40 EIAB CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12 2010639 WWGZXRYELYWJBD-UHFFFAOYSA-N 326.484 4.424 0 40 EIAB in-man CCOc1ccc(OCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3359782 HGEFOCGKJRCPFN-HXUWFJFHSA-N 339.435 4.048 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1 4120256 NOYIHMYJTJJJMV-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 4385020 YWXPNYCXMLFQAG-AWEZNQCLSA-N 337.398 4.106 0 40 EIAB Cc1ccc(SCCC(=O)Nc2nnc(-c3cccs3)o2)cc1 4496549 GBXRVARSWVHHLT-UHFFFAOYSA-N 345.449 4.227 0 40 EIAB O=Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 5552940 FPJPPXMOFQKQMQ-DHDCSXOGSA-N 343.791 4.393 0 40 EIAB COc1cc(C)c(NC(=O)CSc2ccc(C)cc2C)cc1OC 5616628 SXQBGOHYIOULPQ-UHFFFAOYSA-N 345.464 4.360 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)COc2ccccc2C(C)C)c1 5749852 GIABDHWBOPTIPH-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB Cc1cc(O)ccc1[C@@]1(c2ccc(F)cc2)OC(=O)c2ccccc21 5822659 NMZBIRJGKPTDBF-OAQYLSRUSA-N 334.346 4.302 0 40 EIAB CC(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 5940134 WQUVGILGSSLFOU-UHFFFAOYSA-N 332.856 4.072 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)C(C)C)cc2c1 5965315 FWONGGJCWBRXHO-UHFFFAOYSA-N 340.467 4.154 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 6553205 MWFLCZOCWDYBMJ-UHFFFAOYSA-N 333.453 4.147 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 6604787 IVXOIYVWYAQCOE-ZDUSSCGKSA-N 341.407 4.119 0 40 EIAB CN(CC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 7210776 MHLNDGHQJFEPMT-UHFFFAOYSA-N 348.450 4.226 0 40 EIAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 7343826 CPGZGGGYZVYBAX-UHFFFAOYSA-N 334.206 4.290 0 40 EIAB COc1ccccc1CN(C)c1nc(C(F)(F)F)nc2ccccc12 8327300 FZRXYUUKGJNYHF-UHFFFAOYSA-N 347.340 4.294 0 40 EIAB Cc1nc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)nc2c1CCCC2 8548734 ICBMSLDVHUITMU-AZOIQLNYSA-N 330.497 4.150 0 40 EIAB COc1ccc(CCNC(=O)CCc2ccc(C(C)C)cc2)cc1 10334102 HOLFZNWAXOYNOV-UHFFFAOYSA-N 325.452 4.110 0 40 EIAB Fc1ccccc1NC1=NN=C(c2ccc(Cl)s2)CS1 12797673 NXPJKCXDTNZFIS-UHFFFAOYSA-N 325.821 4.460 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1C 14198486 ZINZZPLZTHVFIV-UHFFFAOYSA-N 340.404 4.463 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N(C1=NCCS1)c1ccccc1 16740024 NDFDCZVOFXIJGL-UHFFFAOYSA-N 331.828 4.481 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)c1 20037676 WXXLGTCRSJYWCG-QGZVFWFLSA-N 343.442 4.267 0 40 EIAB C[C@H](NCc1ccc(-c2ccccc2F)o1)[C@@H](O)c1ccccc1 20312673 LLHIIAUCPXOGKE-VBKZILBWSA-N 325.383 4.297 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(C[C@@H](C)c1ccccc1)CO3 20610381 QJFPWEKUNYSZTG-CQSZACIVSA-N 349.430 4.365 0 40 EIAB biogenic Cc1ccccc1Cn1c(-c2ccccc2)nc2ccccc2c1=O 20799236 HIWGKJVRXTYPOX-UHFFFAOYSA-N 326.399 4.420 0 40 EIAB CSc1ncccc1C(=O)NC1CCC(c2ccccc2)CC1 25097793 ZLDVSZBTARJQSK-UHFFFAOYSA-N 326.465 4.260 0 40 EIAB CC(C)C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 29106786 RCSOMSYHGIEFLB-CKDFRHGISA-N 337.419 4.332 0 40 EIAB CC(C)(C)c1csc(NC(=O)CCCc2nc3ccccc3[nH]2)n1 29260828 WVDZQHALSYTAIV-UHFFFAOYSA-N 342.468 4.278 0 40 EIAB O=C(CSCc1csc(-c2ccco2)n1)Nc1ccccc1 31420376 QCUBJIQIEWZTNL-UHFFFAOYSA-N 330.434 4.275 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(-c4cccc(F)c4)no3)ccc2o1 36391166 WQVFBVHLSWLLDH-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832248 TXMJCTOEONBPQY-JSGCOSHPSA-N 343.298 4.120 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@H]2c1cccc(O)c1 40312632 SQFHJDMBVMHIEG-HNNXBMFYSA-N 348.358 4.005 0 40 EIAB biogenic CC1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 41127289 XVFJORMUTPUQFZ-UHFFFAOYSA-N 332.241 4.474 0 40 EIAB O=C(CCC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(F)cc1F 48678977 LPTUVZREWNYOSO-OAHLLOKOSA-N 349.402 4.353 0 40 EIAB O=C(Nc1cccnc1)c1ccc2c(ccn2Cc2ccccc2)c1 61718378 QDJOTPYTRNAKRQ-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c(C)c1 64982957 TXEDGEWLAQEQCZ-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CCOC(=O)Nc1nnc(S[C@@H]2CCCc3ccccc32)s1 70014772 QSZWENKSHZMJHT-GFCCVEGCSA-N 335.454 4.276 0 40 EIAB O=C(NC[C@H](O)c1cccc2ccccc12)c1c(F)cccc1Cl 70636002 VQDBBXVQJLLTPO-KRWDZBQOSA-N 343.785 4.096 0 40 EIAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cc1 72285875 NEKVEZQTFNOVPO-YESZJQIVSA-N 342.464 4.009 0 40 EIAB CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@@H]1C[C@@H]1C 72289668 CINXRRCYEJIDJE-CFVMTHIKSA-N 333.428 4.224 0 40 EIAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccccc4C)C3)n2)c1 72369883 OEKAIRUTCSRKQK-SFHVURJKSA-N 349.434 4.043 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ncc(-c2ccccc2)o1 75132225 OJYQASKZFDIQKE-KRWDZBQOSA-N 336.439 4.029 0 40 EIAB O=C(Nc1cccs1)N(CCc1cccs1)Cc1cccnc1 75154743 OYBIIQRKPMWBDD-UHFFFAOYSA-N 343.477 4.481 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccncc3F)n2)c(C)c1 78063948 VOPIAPCAENJJAX-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@H](C)C3)s2)cs1 84275050 GOHCOPCUMXBUBH-LBPRGKRZSA-N 349.525 4.164 0 40 EIAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)/C=C/c1cc2ccccc2o1 84637044 VCDAQUJHYPTKKJ-KKSCNQFASA-N 335.403 4.074 0 40 EIAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)CC3)c12 89960427 KYKRBHSEPINKHY-ZDUSSCGKSA-N 341.455 4.315 0 40 EIAB O=C(O)c1sc2ccc(Br)cc2c1C(F)(F)F 90549859 SGKJYBHVYICJTJ-UHFFFAOYSA-N 325.105 4.381 0 40 EIAB Cc1ccccc1[C@H](NC1CCN(C(=O)c2ccoc2)CC1)C(C)C 95422339 RRYGDLQDYLXRSE-HXUWFJFHSA-N 340.467 4.180 0 40 EIAB CC(C)N(C)[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 96061664 XOPIBPXJLAEEGX-YADHBBJMSA-N 340.486 4.352 0 40 EIAB CS[C@@H](C)c1cccc(NC(=O)N[C@H](C)Cc2c(C)noc2C)c1 96415979 LHYLBQKHYMTETJ-RISCZKNCSA-N 347.484 4.468 0 40 EIAB Cc1ccn(-c2ccccc2N[C@@H](C)c2ccc([S@](C)=O)cc2)n1 97038705 IYDINLAJXPDRFX-IZHWHUGBSA-N 339.464 4.091 0 40 EIAB CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 107142110 QLPZJFPABJLGHL-IOASZLSFSA-N 342.405 4.003 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2Cl)ccc1Cl 113969553 JONPEUAWGQCDHN-LBPRGKRZSA-N 338.234 4.386 0 40 EIAB O=C(O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1Cl 137493784 ILEYRJRKWSVEEN-UDWIEESQSA-N 328.799 4.389 0 40 EIAB COc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 152087755 FOCOXHIWEOIILC-HNNXBMFYSA-N 326.396 4.119 0 40 EIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)S1 222603300 HZLLCEALRSHAFC-XKQJLSEDSA-N 340.496 4.227 0 40 EIAB CCCOc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 223323443 YRJWWHBHXIBAAV-UHFFFAOYSA-N 337.470 4.080 0 40 EIAB COc1ccc(CNC(=O)CCc2ccc(C(C)C)cc2)cc1OC 224597556 IKBBAGBLKMBPOD-UHFFFAOYSA-N 341.451 4.076 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 224753889 QASXXSJQZGZMSS-OAHLLOKOSA-N 329.415 4.341 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CCc2ccc(OC)c(C)c2)cc1 224813304 LTAUCJPCAUYJRU-INIZCTEOSA-N 325.452 4.376 0 40 EIAB S=C(NCc1ccc(Cl)cc1)Nc1ccc2sncc2c1 225172219 OUIZZVCMGSICRO-UHFFFAOYSA-N 333.869 4.436 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)COc1cccc2c1CCCC2 225540934 VPPOCLVLVJTPPQ-UHFFFAOYSA-N 337.463 4.082 0 40 EIAB O=C(CSC1CCCC1)NCc1cccnc1-c1ccsc1 225646951 WIBXNPVKBWNIOU-UHFFFAOYSA-N 332.494 4.102 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2cc(C)ccc2C)cc1 225761760 QJSHCQSETROFJI-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CC(=O)OC(C)(C)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358255 OYMVVADCMSQXRH-UHFFFAOYSA-N 348.345 4.068 0 40 EIAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CC(C)C)n1 585265034 FOKZPCHUDIBMLV-UHFFFAOYSA-N 343.423 4.443 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccccc1Cl 1775968753 UPVUAPIJOVFGGK-CYBMUJFWSA-N 347.823 4.125 0 40 EIAB COC(=O)c1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1 88909 SLQORCVHPHUZGE-UHFFFAOYSA-N 336.416 4.439 0 40 EIAB Clc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 222335 CRWSCNNBAURXLK-LSDHHAIUSA-N 346.221 4.126 0 40 EIAB Cc1ccccc1N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 365119 AFSDDRLMQMEWPW-ZDUSSCGKSA-N 347.629 4.126 0 40 EIAB Cc1cccc2cc3c(N)c(C(=O)NCc4ccccc4)sc3nc12 421678 IVIZOPDCDVYJKL-UHFFFAOYSA-N 347.443 4.270 0 40 EIAB Cc1ccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)c(O)c1C 543818 HWSQMBAJYOOAHT-HXUWFJFHSA-N 349.430 4.440 0 40 EIAB O=C(CSCc1ccccc1Br)NC1CCCCC1 566594 IUFINUQBJCMJAI-UHFFFAOYSA-N 342.302 4.131 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(Cl)c1C 574388 MKRAGZMSSAUAJD-ZHACJKMWSA-N 331.799 4.318 0 40 EIAB Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1C 795400 CHGDBWOKMDKAJD-UHFFFAOYSA-N 328.437 4.167 0 40 EIAB COc1ccc(-c2nc3cc(C)ccn3c2NC(C)(C)C)cc1O 904156 BJEABWLBOURYFP-UHFFFAOYSA-N 325.412 4.234 0 40 EIAB O=C(O)C[C@@](O)(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 3850471 KPLYWJANPFZBMD-QFIPXVFZSA-N 332.399 4.259 0 40 EIAB biogenic Cc1cccc(C(C)C)c1NC(=O)Cc1ccc2c(c1)OCCO2 5443031 OFYCLWOUKPRHMZ-UHFFFAOYSA-N 325.408 4.071 0 40 EIAB COC[C@@H](C)n1c(-c2cccs2)cs/c1=N\c1cccnc1 5693489 IPPXBMDRWZNMAA-MHMQGTJDSA-N 331.466 4.113 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1 5926944 TXMUDFRMWABBJK-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=C(Nc1ccccc1Br)c1cccc(OC(F)F)c1 6338542 RDGJMHNLCRYECN-UHFFFAOYSA-N 342.139 4.303 0 40 EIAB O=c1c2ccccc2nc(CNc2ccccc2)n1-c1ccccc1F 6659210 KCBSCXYACGQDOR-UHFFFAOYSA-N 345.377 4.137 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)Oc1ccc2c(c1)OCO2 7402632 UKRJOYOTPJNXNF-UHFFFAOYSA-N 345.401 4.128 0 40 EIAB Cc1cc(C)c(NC(=O)COC(=O)CCC2CCCCC2)c(C)c1 7701834 KVZUQKKVALJJRM-UHFFFAOYSA-N 331.456 4.454 0 40 EIAB Fc1ccc(OCc2nc(CN3CCc4ccccc43)cs2)cc1 8308580 WDHCYPCDZZREDP-UHFFFAOYSA-N 340.423 4.424 0 40 EIAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 8852718 LKLCWEWNQGNXNH-AWEZNQCLSA-N 332.394 4.041 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1nonc1-c1ccccc1 8869587 IJOZRSFIYGOZKS-ZHACJKMWSA-N 325.755 4.042 0 40 EIAB CCOC(=O)c1sc(NC(=O)[C@H](CC)c2ccccc2)cc1C 9217063 OFFYOODNHBWXIA-CQSZACIVSA-N 331.437 4.366 0 40 EIAB CCOc1ccccc1NC(=O)c1c(C)oc2ccc(OC)cc12 11866456 CBGYIJUEUFHDHR-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB biogenic C[C@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 12820659 LGEUXZVAIDGCSO-NSHDSACASA-N 343.429 4.300 0 40 EIAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccco1 12859517 FLPSQEDVADRKAE-UHFFFAOYSA-N 332.421 4.344 0 40 EIAB CN(C(=O)COc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 12865952 FUZVQTUWZCXREW-MRXNPFEDSA-N 333.790 4.004 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)cc2)cc1 13058041 MCPDFMRLUQCRPO-ZDUSSCGKSA-N 344.842 4.002 0 40 EIAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1cccc(C)c1 13070421 XPJJEWRJGUARBO-CYBMUJFWSA-N 332.831 4.405 0 40 EIAB CC(C)c1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 15011285 NRPSZJYYDZMAOJ-ATVHPVEESA-N 328.481 4.200 0 40 EIAB FC(F)(F)c1cc(Cl)ccc1NC(=S)NCc1ccco1 17070547 SRHDGCDRXQSBDH-UHFFFAOYSA-N 334.750 4.438 0 40 EIAB CN(Cc1ccco1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 17790468 HTJMNAAPYSVSGW-UHFFFAOYSA-N 343.386 4.162 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 20049146 YLOQLEVSIBQBAC-UZLBHIALSA-N 341.451 4.347 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN([C@@H](C)c1ccccc1)CO3 20609922 JWDBOTUBEZAKIS-HNNXBMFYSA-N 335.403 4.323 0 40 EIAB biogenic CC(C)(C)C(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 22463018 AGXATXUIAUSVHW-UHFFFAOYSA-N 335.407 4.312 0 40 EIAB C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 25364276 QUUFWPLNBGGLTE-CYBMUJFWSA-N 346.356 4.137 0 40 EIAB COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2S[C@H](C)C3)cc1 27788631 DZHZHZRFLKGFGW-OAHLLOKOSA-N 337.468 4.243 0 40 EIAB C[C@H](Nc1nc2ccccc2s1)C(=O)NCCC1=CCCCC1 28437834 LATNFCAYPCNABE-ZDUSSCGKSA-N 329.469 4.103 0 40 EIAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccnc2)cc1C 29340335 PUTMSFPIPXDDHJ-UHFFFAOYSA-N 330.387 4.182 0 40 EIAB O=C(CSc1cccs1)NCc1ccc(C(F)(F)F)cc1 31546185 VYKCXBQDSYYIKO-UHFFFAOYSA-N 331.384 4.175 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(F)cc3)cs2)o1 32816072 SLMACZUJIKGTSN-LBPRGKRZSA-N 344.411 4.271 0 40 EIAB Cc1nc(NC(=O)c2cc(Cl)ccn2)sc1-c1ccccc1 32817247 QLRWFDJBSTXPEK-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB C[C@H](Nc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@H]1C 32901316 FAMMOKSCSXEDSV-OLZOCXBDSA-N 337.448 4.075 0 40 EIAB O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)c1ccccn1 33040355 FYZXDUJFTRHCAQ-GOSISDBHSA-N 339.345 4.271 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1 33809361 COTFTONLXIQFAF-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccc(-c2ccccc2)cc1 35986622 HCVTZZOECXSSPG-PIPMEXSNSA-N 339.479 4.262 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 36561575 SJRRWEAGDFEHSP-FQEVSTJZSA-N 341.451 4.256 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 44945764 KVKIFJAONJXVDG-GJZGRUSLSA-N 329.465 4.362 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1ccc(C(=O)O)c(Cl)c1 48807514 ZYUJORUUBRZALC-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)o1 55860388 UXMNHUXSFPHONR-CQSZACIVSA-N 334.213 4.328 0 40 EIAB Cc1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1 56342985 CVKMZOZGCKOFSG-UHFFFAOYSA-N 340.210 4.486 0 40 EIAB CC[C@@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 57574301 ZCRGPQLJBRKMLU-MLGOLLRUSA-N 336.888 4.147 0 40 EIAB O=C(NCC1(c2cccc(F)c2)CCCCC1)c1cc(C2CC2)on1 63082208 HGYMTGCUFKPPBP-UHFFFAOYSA-N 342.414 4.323 0 40 EIAB Cc1ccc(Nc2ccccc2C(=O)N(C)Cc2cc(C)on2)cc1 63768913 NGOXFJDKSPDTQF-UHFFFAOYSA-N 335.407 4.307 0 40 EIAB Cc1cc2c(cc1CNC(=O)c1cccc3ccccc13)OCCCO2 64986983 JPXQUTDQAURBID-UHFFFAOYSA-N 347.414 4.240 0 40 EIAB O=C(Nc1ccccc1)N(Cc1cccc(Cl)c1)C1=NCCS1 67321235 DLBJDHKPFWHRJZ-UHFFFAOYSA-N 345.855 4.477 0 40 EIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2Cc2cccnc2)n1 72379064 KXTRASNIXGTSOQ-LJQANCHMSA-N 347.466 4.123 0 40 EIAB CCOCCC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 84189423 BDJMRIDQJZQLLX-UHFFFAOYSA-N 346.858 4.167 0 40 EIAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl 95417741 RADUDUOUFXCBLR-ABAIWWIYSA-N 338.234 4.235 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1ncc[nH]1 95467288 PHRPHYQMXHJBKT-GFCCVEGCSA-N 325.199 4.086 0 40 EIAB Cn1nc(C(F)(F)F)c(CN2CCC[C@@H]2C2CCCC2)c1Cl 96006924 SVKLNUQBMASCTP-GFCCVEGCSA-N 335.801 4.247 0 40 EIAB CCOC(=O)c1sc(-c2cccc(O)c2)nc1-c1ccccc1 98071531 ZMYKMUQGUIPLDP-UHFFFAOYSA-N 325.389 4.359 0 40 EIAB O=C1N[C@@H]2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C=CC=C[C@@H]2[C@@H]13 101036580 IDCLPJDWZLYUIR-UDKICSLYSA-N 325.411 4.084 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)cc1 113959734 OFIASNFBSGUOAE-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(F)cc1)c1ccccn1 195534806 JKSOGEZRANEEKH-HLIPFELVSA-N 338.426 4.205 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)cc(C)c1Cl 224138047 ILOUKJHFOKHXSE-CQSZACIVSA-N 349.833 4.222 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)CCSCc1ccccc1 224639359 ALJNBZPVFMCNJF-UHFFFAOYSA-N 327.493 4.447 0 40 EIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)cc1 224856256 UANGEIZWKHRIOT-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1 224912900 UBLWRUYNYBBBNO-UHFFFAOYSA-N 327.808 4.003 0 40 EIAB CSc1ccccc1C(=O)NC[C@@H](O)c1csc2ccccc12 225692662 AOMHKQASTMRDCC-OAHLLOKOSA-N 343.473 4.087 0 40 EIAB CCOc1cc(CNC(=S)Nc2cc(C)cc(C)c2)ccc1OC 225769954 XWTRNMNOJQYJKJ-UHFFFAOYSA-N 344.480 4.197 0 40 EIAB c1ccc(Nc2nc([C@@H]3CCCN3Cc3cscn3)cs2)nc1 2037846290 NMLGWTXIMFWSJV-AWEZNQCLSA-N 343.481 4.075 0 40 EIAB COc1ccc(-c2c(C)c3cc(Cl)c(O)cc3oc2=O)cc1OC 57774 JTCIOJBYCMFIEC-UHFFFAOYSA-N 346.766 4.145 0 40 EIAB biogenic,in-vitro O=C(NCc1cccnc1)[C@@H](Sc1ccccc1)c1ccccc1 253830 NFJUTOULMNMASO-IBGZPJMESA-N 334.444 4.231 0 40 EIAB Clc1ccccc1Cc1nn2c(-c3ccccc3)nnc2s1 385048 CHGRUMCYWACPRM-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB CCOc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1 526465 OJUMZIICGVAPHI-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 528208 VYXMYKLGALMOPK-RBUKOAKNSA-N 334.423 4.132 0 40 EIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1)c1ccc(F)cc1 1370200 MUQWRCUHTOKYPG-WOJBJXKFSA-N 344.474 4.274 0 40 EIAB Cc1cccc2sc(NC(=O)COc3ccc(Cl)cc3)nc12 1518611 JOYCAQPWMAMARD-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CC(C)CCC[C@@H](C)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C 2781639 WLBOIEROULCXTD-SECBINFHSA-N 339.789 4.037 0 40 EIAB Cc1ccc([C@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786797 KUBBTCLXNNKWNA-HUUCEWRRSA-N 346.459 4.407 0 40 EIAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C)cc2Cl)cc1 3165463 XAKXTLYLKRWADU-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCCC1 3211389 ZFIGNLOEBSAXKI-SUMWQHHRSA-N 348.899 4.357 0 40 EIAB CCN(C(=O)CSc1nc2ccccc2nc1C)C1CCCCC1 3257004 PIWZJEYXOSUXEO-UHFFFAOYSA-N 343.496 4.212 0 40 EIAB O=C(Oc1ccc2ccccc2c1)c1ccc(N2CCCC2=O)cc1 3361073 ZLPUAUJGSXOXGC-UHFFFAOYSA-N 331.371 4.186 0 40 EIAB CSc1nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2s1 3431136 PIFSQKKQMBBPAQ-UHFFFAOYSA-N 335.841 4.319 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4037902 CEZKLEHYJURHTB-PXJWFIIQSA-N 349.515 4.115 0 40 EIAB biogenic CC(C)COc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 4071102 PQPJEOHDFCEVPC-UHFFFAOYSA-N 333.815 4.392 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)cc1 4291618 HXNCPROUUXHIPO-UHFFFAOYSA-N 341.794 4.180 0 40 EIAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 4908606 UHKKIQMYFIFWLN-UHFFFAOYSA-N 334.419 4.088 0 40 EIAB CCOC(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@@H]2O 4913675 XCLNUFYNMFOYAR-HNNXBMFYSA-N 348.196 4.080 0 40 EIAB CC(C)(C)c1ccc(C(=O)NC(=O)CSc2ccccc2F)cc1 5077749 QWFKEFWIQMRAAC-UHFFFAOYSA-N 345.439 4.172 0 40 EIAB COc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1 5512155 BLIUVOUCHONECV-UHFFFAOYSA-N 347.317 4.224 0 40 EIAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 5629053 XLXLNOFEBAZJCT-NSHDSACASA-N 346.481 4.193 0 40 EIAB Cc1csc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 6319355 BKISQMSQDSBMPR-MRVPVSSYSA-N 331.224 4.164 0 40 EIAB Fc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1 7164075 CHBDKWAJZYWKDI-UHFFFAOYSA-N 327.340 4.309 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 8246661 DKHZVVBNWMHSOC-UHFFFAOYSA-N 344.386 4.103 0 40 EIAB CCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 8434654 RAUKAGQRTRNAIW-UHFFFAOYSA-N 334.375 4.347 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)Cc1cccc(C(F)(F)F)c1 8718971 KCDHHPHKEPZFCF-GFCCVEGCSA-N 337.341 4.134 0 40 EIAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)C 8753069 CEWPTAYMEWANIJ-QRWLVFNGSA-N 338.451 4.203 0 40 EIAB COc1ccccc1[C@H](C)N[C@H](C)c1nnc(-c2ccc(C)cc2)o1 8940132 QUOORQRBPDMIDV-LSDHHAIUSA-N 337.423 4.465 0 40 EIAB FC(F)n1ccnc1CSc1nnc(NC2CCCCC2)s1 9364805 ORIGCIVLQFDUCA-UHFFFAOYSA-N 345.444 4.167 0 40 EIAB COc1cc(Cl)cc2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc12 11117657 YTQHGJADNNYRMC-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCc2sccc2C1 12216018 UPIMAIXKNMKAGE-UHFFFAOYSA-N 349.459 4.010 0 40 EIAB O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1cccs1 12603885 ZYXPZCPNOZJZED-UHFFFAOYSA-N 347.443 4.076 0 40 EIAB C[C@H](Nc1cccc(F)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 12634438 GOXFUBOUYJVJEZ-HNNXBMFYSA-N 341.430 4.255 0 40 EIAB CC1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 12749660 YNAAQXCTIMFXTJ-UHFFFAOYSA-N 330.453 4.031 0 40 EIAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H]1CCc2ccccc21 12770641 SQQCDAZTHIABDD-KRWDZBQOSA-N 329.827 4.139 0 40 EIAB CC(C)n1ncc2cc(NC(=O)c3csc4c3CCCC4)cnc21 12948580 BQMPOWTYVMOBLX-UHFFFAOYSA-N 340.452 4.205 0 40 EIAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)c2ccccc2)CC1 13008838 BFVKVZOFWOLBQK-AWEZNQCLSA-N 341.455 4.023 0 40 EIAB C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 13786600 MURCKSBIXTZDAY-LLVKDONJSA-N 335.270 4.497 0 40 EIAB biogenic CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1Cl 14124039 URCQOJMKZVYKRP-LLVKDONJSA-N 348.855 4.418 0 40 EIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(O)c1 14247557 YGZCNDYPRYELIK-UHFFFAOYSA-N 341.798 4.100 0 40 EIAB CN(CCCNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 14701000 CXEZNZKDQDCCGI-UHFFFAOYSA-N 349.478 4.133 0 40 EIAB COc1cc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc(OC)c1 17071909 MJQGSFGBJGDCHG-AWEZNQCLSA-N 344.480 4.368 0 40 EIAB O=C(NCc1cccc(Br)c1)c1ccc(F)cc1Cl 20448070 RMZWOHIWPQZFHO-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB COc1ccc(C2(CNC(=O)c3c(F)cccc3F)CCCC2)cc1 21691204 APOOIQBIFMNQCU-UHFFFAOYSA-N 345.389 4.215 0 40 EIAB COC(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cc1 22762601 XAOKUSQTONJEFV-UHFFFAOYSA-N 342.395 4.295 0 40 EIAB CC[C@H](NCC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 24255878 HLQHTTPDBNJYEQ-INIZCTEOSA-N 348.899 4.027 0 40 EIAB O=C(NCCCCOc1ccc(Cl)cc1)Nc1ccccc1F 24990352 UZGYOBXMGDFKFK-UHFFFAOYSA-N 336.794 4.460 0 40 EIAB COc1ccccc1[C@@H](C)N(C)C(=O)c1nc(Cl)ccc1Cl 25110527 XCMKXQVDJOCHHJ-SNVBAGLBSA-N 339.222 4.230 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)c(C)c1 26844563 YGNJHYRZZNSGBP-UHFFFAOYSA-N 347.219 4.078 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(Br)c2cccnc12 27930182 IAWHVBYWQSISHA-UHFFFAOYSA-N 341.208 4.179 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 30986856 ASJVLBMXGNBBBI-SWLSCSKDSA-N 328.378 4.126 0 40 EIAB CCOC(=O)c1ccc(OC(=O)CCc2cc3ccccc3o2)cc1 32823552 VPZZXGGLTJQZCJ-UHFFFAOYSA-N 338.359 4.148 0 40 EIAB Cc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c(C)c1 32930549 DLTKGHZVIDVCAY-UHFFFAOYSA-N 332.403 4.421 0 40 EIAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 35476424 YMLZPLVWQFPJLC-LJQANCHMSA-N 343.492 4.446 0 40 EIAB Cc1cc(C)c2oc(C(=O)N3CCOC34CCCCC4)c(C)c2c1 35671081 MQRBLEDPJBTUJC-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 36561551 WDVQFLMTRBXVNA-AWEZNQCLSA-N 347.842 4.211 0 40 EIAB Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)c1 36620967 OOLDEYHJIQVUGS-KRWDZBQOSA-N 338.407 4.135 0 40 EIAB CCc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1 39857532 FPHGRBWXZJEJMV-ATVHPVEESA-N 339.416 4.499 0 40 EIAB CCc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)[nH]c(C)c1C(C)=O 48166685 OTZGPEVHYLHALO-JTQLQIEISA-N 332.831 4.233 0 40 EIAB CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)o1 56998802 CZFLWTJQELBIOX-QGZVFWFLSA-N 346.858 4.192 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 57416226 BYQZCQVDSSLMMW-NSHDSACASA-N 328.799 4.321 0 40 EIAB Cc1n[nH]c(-c2ccccc2NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 58225378 OGAQKSDEWRFRFW-GFCCVEGCSA-N 338.386 4.052 0 40 EIAB O=C(NCc1ccccc1)c1nc(C2CCCCC2)n2ccccc12 61993543 MRZJIJSHHMRPPI-UHFFFAOYSA-N 333.435 4.312 0 40 EIAB Cc1cc(CNc2nn3cc(C)nc3s2)c2[nH]c(C)c(C)c2c1 65548168 JDDHGOUXTKWNLF-UHFFFAOYSA-N 325.441 4.118 0 40 EIAB O=[S@@](Cc1cccc(Cl)c1)Cc1coc(-c2ccccc2)n1 69491128 JKUGMEWWAKEAAH-JOCHJYFZSA-N 331.824 4.444 0 40 EIAB O=C(NCCSc1ccc(Cl)cc1)c1cc(Cl)ccc1O 69741271 GAEUXWWYUSBUNH-UHFFFAOYSA-N 342.247 4.221 0 40 EIAB Cc1cc(-n2cccn2)ccc1-c1nccn1CCc1scnc1C 71758955 UCVMROSRBNDNGU-UHFFFAOYSA-N 349.463 4.052 0 40 EIAB Cc1c(NC(=O)N(Cc2ccncc2)C2CC2)cccc1OC(F)F 71854977 SPQYLQGCARPYKO-UHFFFAOYSA-N 347.365 4.188 0 40 EIAB Cc1ccc(-c2nc(N3CCC[C@H](C)C3)ncc2-c2cc(C)no2)cn1 72337268 YJQFOSJBGXHCMW-ZDUSSCGKSA-N 349.438 4.047 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NC1(c2ccccc2)CCC1 73025383 LCDPUVLEMZALGO-UHFFFAOYSA-N 349.459 4.323 0 40 EIAB C[C@H](c1cccnc1)N(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 73337650 SEBIHXFDGZNNRP-LLVKDONJSA-N 339.420 4.251 0 40 EIAB CSc1ccc(NC(=O)c2cccc(-c3nnc(C)o3)c2)cc1F 74030162 REWNCJOGAZAIER-UHFFFAOYSA-N 343.383 4.158 0 40 EIAB C[C@H]1CCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 79335609 SQLZHCRPBIEKJO-AWEZNQCLSA-N 341.480 4.185 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(O)c(Cl)c1 89610689 QAAJVTMMTKVWQT-CQSZACIVSA-N 333.815 4.391 0 40 EIAB Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)s1 96047591 UMZTVAXUZKMHBU-PKOBYXMFSA-N 346.471 4.041 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[C@@H]1c1ccccc1 96405403 DOMMBJTYHAWKDR-RBUKOAKNSA-N 346.430 4.194 0 40 EIAB CN(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926855 KIVXGCJMIWJWBX-BHXFFAOXSA-N 345.527 4.421 0 40 EIAB Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)o1 216815757 TUDXTQPXQRSCBW-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB Nc1nnc(/C=C/c2cccc(OCc3ccc(F)cc3Cl)c2)o1 216906174 OSDFFKXKGPTIHP-QPJJXVBHSA-N 345.761 4.194 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C)cc2)cc1 222761402 GFFMJYQPOUNQBU-HXUWFJFHSA-N 341.451 4.286 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccccc2OC)cc1 223285222 VFNLTXJZGKTUJJ-BEFAXECRSA-N 341.451 4.292 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(OC)c(C)c1 225055817 FTFJHNORUKGFCZ-MAUKXSAKSA-N 327.424 4.038 0 40 EIAB C[C@H]1CCCCN1C(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227164036 RXLCTSDHPDNAJQ-HNNXBMFYSA-N 345.874 4.385 0 40 EIAB Fc1ccc([C@@H]2C[C@@H]3CN(Cc4cccs4)C[C@]34CCCN24)cc1 247519581 KYELLYOWCJKDFN-LSTHTHJFSA-N 342.483 4.299 0 40 EIAB Cc1ccc(NC(=O)C2=C[C@H]3Oc4ccccc4[C@H]3C=C2O)cc1C 255188150 IRYVECFMTPEKEI-OXQOHEQNSA-N 333.387 4.169 0 40 EIAB C[C@@H]1CCCC[C@H]1OCCNCc1cnn(-c2ccc(Cl)cc2)c1 513647342 GZCIKRCCTINKDC-DNVCBOLYSA-N 347.890 4.211 0 40 EIAB CC[C@H](Oc1ccccc1C)c1nnc(Cc2cn3ccccc3n2)o1 1616017819 QJBRKTDVQGSVCW-INIZCTEOSA-N 348.406 4.147 0 40 EIAB CC(C)c1nc2ccccc2n1C1CN(c2nc3cnccc3s2)C1 1888914245 ICEVWUWQLCESEB-UHFFFAOYSA-N 349.463 4.226 0 40 EIAB Cc1ccc(S(=O)(=O)[N@]2[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 2049251835 GAZMCGHPHRQBPT-ZBYYUNFXSA-N 349.455 4.482 0 40 EIAB CCOc1ccc(Cl)cc1/C=C1\N=C(c2ccccc2)OC1=O 382958 IFXYFWOOKKFKHH-PTNGSMBKSA-N 327.767 4.083 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 514288 OULUFUFRKVBMKP-JTQLQIEISA-N 340.206 4.408 0 40 EIAB O=C(O)c1cc(-c2ccc3cc4c(cc3c2)OCO4)nc2ccccc12 1721006 DYQGDBZUUIQJCG-UHFFFAOYSA-N 343.338 4.482 0 40 EIAB in-vitro O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1 3327689 DCMYTQHQRNJWQV-VQHVLOKHSA-N 335.186 4.433 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 3615172 FPOBTPVAYQVWCV-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB Cc1nc2ccc(NC(=O)CSc3ccc(F)cc3)cc2s1 4496703 LUVSTOSRHCHBOE-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB CCOc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1 4678875 OGNRGMTVRPOWEE-UHFFFAOYSA-N 325.387 4.237 0 40 EIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@H]3CC[C@]12C 4896616 WVBCLXPZFRTXNR-LJKPAFOASA-N 334.431 4.152 0 40 EIAB Cc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 5210833 PQBKKHUBXNNIAE-UHFFFAOYSA-N 349.419 4.122 0 40 EIAB Cc1cc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)ccc1Cl 5235899 WJTXDVRLQJSRTL-LBPRGKRZSA-N 325.799 4.045 0 40 EIAB CN(C)c1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1 5348241 SBDZFAUINCMKHC-MDWZMJQESA-N 347.447 4.089 0 40 EIAB O=C(CCCOc1ccccc1)Nc1ccc(N2CCCCC2)cc1 5595389 KKGZIAQCAGGGKT-UHFFFAOYSA-N 338.451 4.475 0 40 EIAB Cc1ccsc1[C@@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 6320294 VQSRKLAJHPYIQK-OAHLLOKOSA-N 347.509 4.313 0 40 EIAB Cc1cc(C)c2nc(SCC(=O)N[C@H](C)C(C)C)cc(C)c2c1 6862462 MPYMHCFPEBXTPS-OAHLLOKOSA-N 330.497 4.413 0 40 EIAB CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 7264375 VVBVFZDQCXXIDI-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC 8239382 INIUTSIQRCNNNL-CYBMUJFWSA-N 339.391 4.331 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCC1CCCC1 8388160 DQAVWAJVQILCBY-UHFFFAOYSA-N 325.456 4.076 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1SC 8500062 PYGQCHBNUGWXSH-CQSZACIVSA-N 331.437 4.213 0 40 EIAB O=c1c2cc(Cl)ccc2ncn1CCCOc1ccc(Cl)cc1 8769594 XZCQAXWHBLIGFT-UHFFFAOYSA-N 349.217 4.172 0 40 EIAB CC(C)(C)N(C(=O)c1cc2ccccc2o1)C(=O)N1CCCCC1 10254430 QANBLQMJYPQNTF-UHFFFAOYSA-N 328.412 4.279 0 40 EIAB O=C(Cc1csc(-c2ccccc2F)n1)N1CCc2ccccc21 11865436 VOXOGTVVDZAGDA-UHFFFAOYSA-N 338.407 4.081 0 40 EIAB COc1ccc(C2(NC(=O)c3sc(C)nc3C)CCCCC2)cc1 12155716 OPDFENCOASUOAW-UHFFFAOYSA-N 344.480 4.358 0 40 EIAB COc1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c(Cl)c1 12390644 KNLVBWVDFYKKHD-UHFFFAOYSA-N 344.802 4.042 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(N(C)C)cc1 12516008 APQIXPBKIWPGFM-UHFFFAOYSA-N 343.477 4.498 0 40 EIAB CCCOc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 12623648 GZCZXKYLBQFFKS-UHFFFAOYSA-N 337.341 4.424 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 12800084 NFYXYOWCVAMJOH-UHFFFAOYSA-N 327.771 4.314 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3C)no2)cc1 12911365 XMVDIDQLAZHLKV-LJQANCHMSA-N 349.434 4.391 0 40 EIAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 13002492 FCRLXAOAFMUYCJ-ZDUSSCGKSA-N 338.432 4.310 0 40 EIAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1 13167576 AXZYLNGQBABZCN-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB COc1c2occc2c(OC)c2c(=O)cc(/C=C/c3cccnc3)oc12 13209191 SGXGOGAKYDJMPL-AATRIKPKSA-N 349.342 4.122 0 40 EIAB FC(F)(F)c1nnc2ccc(Oc3ccc4ccccc4c3)nn12 14205108 XITWWNMGZZZDEB-UHFFFAOYSA-N 330.269 4.089 0 40 EIAB CCc1c(C)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c1=O 15952045 LRDUHGVACATWTG-UHFFFAOYSA-N 329.403 4.227 0 40 EIAB COc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20141393 DZSWPLKBXFHNNA-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)on1 21786493 CGDILPOSXFBCJJ-UHFFFAOYSA-N 338.363 4.001 0 40 EIAB Cc1nc(CSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)cs1 21955828 NXHZJYYTCVQIRW-QPJJXVBHSA-N 332.429 4.171 0 40 EIAB Cc1nc(N)sc1-c1nc(-c2ccc(Cl)cc2Cl)no1 22121327 BJAQPEUXHNFWBZ-UHFFFAOYSA-N 327.196 4.058 0 40 EIAB Cc1nc(Sc2nc(C(F)(F)F)nc3ccccc23)oc1C 23055161 MDGNUXVBTBCXGO-UHFFFAOYSA-N 325.315 4.405 0 40 EIAB COc1ccc2cc(CNc3nccc(C(F)(F)F)n3)ccc2c1 24055771 VCMOWXVCEQDSDP-UHFFFAOYSA-N 333.313 4.269 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25042779 FNUNRSAPCGUTCI-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(F)c(F)c1 25249817 AAMQPQOABVUIOE-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB COc1ccc2nc(C)c(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2c1 25880261 MTPSIPTYQSSATL-NRFANRHFSA-N 346.430 4.433 0 40 EIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(F)cc1Cl 26298937 QKHPNOVNUYCGTI-CYBMUJFWSA-N 344.821 4.253 0 40 EIAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1C 27746691 CAGLRALEOUQCBO-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB CC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 32074446 BTPXLJCEDLJGQP-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)s1 32717129 JGFCHQYYPJKSJO-UHFFFAOYSA-N 341.457 4.429 0 40 EIAB CCOc1ccc(OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 32798057 DGSZEYXVBRMESQ-UHFFFAOYSA-N 338.363 4.027 0 40 EIAB CCn1cc(-c2cc(C(F)(F)F)nc(NCCC(C)C)n2)c(C)n1 36618593 HGNCCAIJFDCJFL-UHFFFAOYSA-N 341.381 4.145 0 40 EIAB CC(C)C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 44936997 UKNJCFAJIBXNDY-OAQYLSRUSA-N 347.462 4.449 0 40 EIAB O=C(C1CC1)N1CCC(NCc2sc3ccccc3c2Cl)CC1 55979150 RHMOOLBJHJPJBY-UHFFFAOYSA-N 348.899 4.045 0 40 EIAB Cc1nc(S)sc1CC(=O)N(C)Cc1csc2ccccc12 56678682 XAVZRXGUQRJVMG-UHFFFAOYSA-N 348.518 4.156 0 40 EIAB COc1ccc(-c2nc(C(=O)N3CCC[C@H](C)CC3)cs2)cc1 65493089 IPSRJAQHRBIWAI-ZDUSSCGKSA-N 330.453 4.081 0 40 EIAB Oc1ccc([C@@H]2CCCN2Cc2cc(Cl)cc3c2OCOC3)cc1 65610189 VSILUFYMINYCGM-SFHVURJKSA-N 345.826 4.249 0 40 EIAB Cc1cc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)no1 67562543 BHLQMGAADFFOAI-UHFFFAOYSA-N 348.362 4.113 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1 72329168 QEWXDUZPCBUWIU-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C 84195450 LWDANIZZCLRXGS-DOTOQJQBSA-N 327.428 4.010 0 40 EIAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(Br)sc21 85389949 RRXZRPFPKDQJOS-MRVPVSSYSA-N 342.645 4.472 0 40 EIAB Cc1nccc(-c2cccc(NCc3noc(-c4cccs4)n3)c2)n1 86199326 BGVFWRRNXHJCTA-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB CC(C)c1cc(CN[C@H](C)c2ccc(F)cc2OC(F)F)on1 95422476 WVFITHAFPKHLKJ-SNVBAGLBSA-N 328.334 4.389 0 40 EIAB COc1ccc2cc(C(=O)N3CCC(c4ccsc4)CC3)[nH]c2c1 96120608 CDPOGSLFSMYYHJ-UHFFFAOYSA-N 340.448 4.258 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@H]2CCC[C@H]21 96461424 VQMAMVDNFOAMED-RHSMWYFYSA-N 338.411 4.065 0 40 EIAB Cc1cc(C(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)on1 96468347 PPQGTLGBYJHMSE-ZDUSSCGKSA-N 341.436 4.248 0 40 EIAB CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1cccs1 97033488 IBUXCUADNFSHFS-KBPBESRZSA-N 332.473 4.086 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)c(Cl)c1 97102630 HMALGBPIEOKIEC-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB O=C1/C(=C/c2ccc3ccccc3c2)NC(=S)N1c1ccccc1F 105557425 SBGOTNNDMSRUQX-ATVHPVEESA-N 348.402 4.241 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219288340 MWKRBSBUMOYTTO-NVXWUHKLSA-N 339.435 4.181 0 40 EIAB CCOc1ccccc1NC(=O)N1CCS[C@@H](c2ccco2)CC1 219432708 BYNMLIYCVXQTDS-QGZVFWFLSA-N 346.452 4.390 0 40 EIAB COc1ccc(CCCNC(=O)CCc2ccccc2Cl)cc1 220015289 FGHQOUIDWFIUGK-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3cccc(C)c3C)ccc2c1 223482003 RANJZKFLVJEBQB-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Fc1ccc(C2(CNC(=S)Nc3ccncc3)CCCCC2)cc1 224007251 DRLODLIRFUPKMY-UHFFFAOYSA-N 343.471 4.409 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)C2(c3ccccc3)CCCC2)c1 224047685 CPQPAGGBNHTHPD-UHFFFAOYSA-N 337.463 4.310 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224425070 VBPVDTACWNWHSX-SJLPKXTDSA-N 325.452 4.299 0 40 EIAB COc1cccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225088709 ATJMYNNNZAAMOS-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 225602165 RXRWAQZWBZNMFJ-UHFFFAOYSA-N 337.463 4.002 0 40 EIAB Cc1cccc(NC(=S)NCCCSCc2ccccc2F)n1 225613688 QDDVVACYFRGJMT-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1OC 225933261 VVSGMGUBKCTODT-UHFFFAOYSA-N 339.435 4.463 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253617354 UPBHDNBADOAHCA-YQUGOWONSA-N 332.484 4.242 0 40 EIAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21)c1ccccc1 409373543 XGMRNXHSJXPZND-QCFAMHMHSA-N 341.410 4.082 0 40 EIAB O=C(c1cccc2c[nH]nc12)N1CC2(CCCC2)c2c(F)cccc21 502082437 VBTBJKYYEDAOFV-UHFFFAOYSA-N 335.382 4.174 0 40 EIAB COC1(OC)CC2(CN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2C(C)C)C1 585126929 LQNNYRHNQLURSL-GOSISDBHSA-N 345.483 4.060 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)NCc2oc3ccccc3c2C)on1 604590658 CWJIBYXKPTYHNW-OAHLLOKOSA-N 339.395 4.084 0 40 EIAB Cc1cccc(OC[C@H]2CCCN(Cc3csc(C4CC4)n3)C2)n1 1888853158 DKBRGNAQJLOYHI-HNNXBMFYSA-N 343.496 4.015 0 40 EIAB Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)c1 369184 SHPWLVJLQVJYDE-UHFFFAOYSA-N 342.464 4.067 0 40 EIAB CCOc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 383714 MXSRDYQDAKWYCC-UHFFFAOYSA-N 340.206 4.410 0 40 EIAB CCOC(=O)c1cnc2cccc(C(=O)OCC)c2c1-c1ccccc1 1591922 YSKLYUKVVRZGJF-UHFFFAOYSA-N 349.386 4.255 0 40 EIAB CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 3410805 JKWWWBAHFSGKKE-UHFFFAOYSA-N 330.840 4.460 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)CCc1ccccc1 3451631 LAKVFVUJTXYBOG-INIZCTEOSA-N 347.462 4.240 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 4081425 UITNBJRZYAEYLY-TVEXYEQESA-N 344.495 4.386 0 40 EIAB biogenic C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc(F)cc1 4287951 OANQECHFCVYUED-SNVBAGLBSA-N 348.834 4.305 0 40 EIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1C 5024490 FFVQVSUQEFZSPO-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1Cl 5108943 CUBGQXSWXBXGJD-UHFFFAOYSA-N 326.783 4.392 0 40 EIAB CC[C@@](C)(CCNC(=O)Cc1ccccc1)c1ccccc1OC 5321416 BDEPNTOISKCLSM-NRFANRHFSA-N 325.452 4.112 0 40 EIAB CC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1OC(C)=O 5481182 WAYJNKQEPZWUGP-UHFFFAOYSA-N 328.408 4.005 0 40 EIAB O=C(Nc1nccs1)c1cccc2c(Br)cccc12 5583031 JXTMHPDNOXUGMF-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 5788603 JTFAPYUEBOLXAA-LXDWIVHCSA-N 333.516 4.176 0 40 EIAB Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)o1 5824429 MGCOZMNKPOIPFA-UHFFFAOYSA-N 343.814 4.008 0 40 EIAB C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 6664293 QXGGBFIJUOVJJR-JTQLQIEISA-N 348.233 4.290 0 40 EIAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 7158849 LMFGBUFNPFZBAO-UHFFFAOYSA-N 336.825 4.427 0 40 EIAB c1csc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)co2)c1 7904876 JDTJTUIOUPTHOA-UHFFFAOYSA-N 344.465 4.499 0 40 EIAB CCc1ccc([C@@H](NC(=O)Nn2cnc3ccccc32)C(C)C)cc1 10405649 ZEHYNVTXPNDRNZ-IBGZPJMESA-N 336.439 4.249 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3OC)no2)cc1 11916972 JMZOGGDFCMSXON-UHFFFAOYSA-N 338.363 4.001 0 40 EIAB CC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 11923297 AQWRKWSPPXHXQJ-AWEZNQCLSA-N 339.464 4.188 0 40 EIAB O=C1NC2(CCCCC2)[C@H]2CCCC[C@]2(O)N1c1ccc(Cl)cc1 12322822 XVTCQWXQPXUOLT-VQIMIIECSA-N 348.874 4.451 0 40 EIAB CC(C)c1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3F)c2n1 12397984 SVSMIJLUFCNBTH-UHFFFAOYSA-N 339.370 4.259 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 12591226 NNQPAEUIORKJOW-RYTJFDOTSA-N 337.504 4.172 0 40 EIAB CN(Cn1ncsc1=S)[C@H](c1ccccc1)c1ccc(F)cc1 12733895 PIPBOSMLJHHXLS-MRXNPFEDSA-N 345.468 4.492 0 40 EIAB O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1F 12827564 XDIFSGAKFBTPOD-UHFFFAOYSA-N 329.705 4.011 0 40 EIAB COc1ccc([C@H]2CCCCCN2C[C@@H](O)c2ccccc2)cc1 12995970 CNUZOMJKZZDSHE-NHCUHLMSSA-N 325.452 4.346 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 13973197 LZZZUZIKEFGSII-UHFFFAOYSA-N 333.387 4.198 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 14260589 LYDFNRIXNJXQLT-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(C)c2)cc1 14292032 VUZRBKUSARQBAK-UHFFFAOYSA-N 341.407 4.213 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1F 15709409 BAKBVKXIIOIRPP-SNVBAGLBSA-N 325.742 4.333 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1 16120414 SWRWZOXFQZFHKP-VOTSOKGWSA-N 328.220 4.406 0 40 EIAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ccc(F)cc3)ccc21 16813072 JJHCARRGFYBNAU-LBPRGKRZSA-N 343.423 4.098 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 17297674 CYNMKEUKTCCHQY-LBPRGKRZSA-N 338.234 4.120 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cnc2ccccc2n1 20018992 UXMHSNYXFRDENU-LJQANCHMSA-N 345.427 4.211 0 40 EIAB COc1cccc(-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)n1 20999345 IYNLVIDZLLRCEB-UHFFFAOYSA-N 342.402 4.064 0 40 EIAB Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)cc1F 21600230 LRLYOJZODFNNIN-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB C/C=C/C=C/C(=O)OCc1csc(Nc2ccc(OC)cc2)n1 21902238 VVZBPJDNSSOEJQ-VNKDHWASSA-N 330.409 4.071 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccccc1 27662567 PNBJIIGNWVFPEN-KRWDZBQOSA-N 328.481 4.095 0 40 EIAB Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220940 DBORCEXPXAUADP-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(F)cc2)o1 28238491 BWLDAAYDCKBRCG-UHFFFAOYSA-N 339.366 4.236 0 40 EIAB CCn1c(C)cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C 29300625 PXBYMFRHVHIIQN-UHFFFAOYSA-N 349.356 4.376 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1C 32487584 HVSAJLMMUTZTEZ-FUHWJXTLSA-N 325.452 4.208 0 40 EIAB O=C(c1cc2c(s1)CCC2)N1CC=C(c2c[nH]c3ncccc23)CC1 32619703 GSNOFDGEIWDIBL-UHFFFAOYSA-N 349.459 4.043 0 40 EIAB COC(=O)c1oc(CN(C)[C@H](C)c2cc3ccccc3o2)cc1C 32825279 UPLKQRZULKAGEB-CYBMUJFWSA-N 327.380 4.314 0 40 EIAB CCOc1cccc2cc3c(=O)n(-c4cccc(Cl)c4)nc-3oc12 33020929 FBZFBIMMGSJWCT-UHFFFAOYSA-N 340.766 4.136 0 40 EIAB CC[C@H](C)c1ccc(OC[C@@H]2CCCNC2)c(Br)c1 42774585 LCKSSPAHIALMDM-QWHCGFSZSA-N 326.278 4.341 0 40 EIAB O=C(CSc1nc2ccccc2o1)NC1(c2ccccc2)CCC1 53473082 ZIBVXQGKXGXRJP-UHFFFAOYSA-N 338.432 4.116 0 40 EIAB CN(C)C(=O)c1cccc(CSc2nc3cc(Cl)ccc3o2)c1 58157389 XWNRSNGLVJBCRK-UHFFFAOYSA-N 346.839 4.475 0 40 EIAB Cc1ncc(CN(C)C(=O)Nc2ccc(OC3CCCC3)cc2)s1 58277744 XEEYUJNFMSIUGA-UHFFFAOYSA-N 345.468 4.437 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1cccc(Cl)c1)C3 61997699 WSMJIHYAESAIDE-UHFFFAOYSA-N 341.794 4.107 0 40 EIAB biogenic CCOc1c(Cl)cc(C(=O)Nc2c(F)cccc2F)cc1OC 66280309 IQQMPOWCVORVLU-UHFFFAOYSA-N 341.741 4.278 0 40 EIAB Cc1cccc(NC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c1 69460707 MZPWVJJAXPBTKB-QUCCMNQESA-N 335.451 4.143 0 40 EIAB O=C(NCc1cccs1)Nc1ccc(OCc2cccnc2)cc1 69567281 WUGZSZAOBOKZOK-UHFFFAOYSA-N 339.420 4.044 0 40 EIAB COc1cccc(C[S@](=O)Cc2csc(C3CCCC3)n2)c1 69809249 HBIARMJUBXAESH-JOCHJYFZSA-N 335.494 4.258 0 40 EIAB CCN(C(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)c1cccc(O)c1 69972901 DBFRODPZSPCMIO-JTQLQIEISA-N 338.329 4.425 0 40 EIAB COc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1 72238563 OECPHXGBUHRLDE-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CCO[C@@H](C)c1nc(CC(=O)O[C@H](c2ccccn2)C(C)C)cs1 72287219 GSNOSKSQFFSWCS-GUYCJALGSA-N 348.468 4.119 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H]1Cc1ccccc1 72311740 GRVUBYRKRNDGTC-VQIMIIECSA-N 325.477 4.152 0 40 EIAB CCOC1CCN(c2ccc3cccc(Br)c3n2)CC1 79092203 BGISXKRFSJJFBD-UHFFFAOYSA-N 335.245 4.003 0 40 EIAB COc1ccc(-c2nn3c(-c4ccccc4O)ccnc3c2C)cc1 95478749 QVJJQWMRMKRCGJ-UHFFFAOYSA-N 331.375 4.086 0 40 EIAB CO[C@H](CNC(=O)Cc1cccc2ccccc12)c1ccccc1C 96104982 ZZXUSZYMVXZFJH-OAQYLSRUSA-N 333.431 4.195 0 40 EIAB Cc1noc(C)c1C(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117129 JMYSTESQXHFKOP-AWEZNQCLSA-N 343.814 4.234 0 40 EIAB O=C(Nc1ccccc1-c1cn[nH]c1)N1CC[C@@H](Cc2ccccc2)C1 97162318 IBHWTAYEWJFGBW-KRWDZBQOSA-N 346.434 4.173 0 40 EIAB C[S@@](=O)Cc1cccc(N[C@H](c2ccccc2)c2ccccn2)c1 97233992 UNECVAPURIXFAC-YKSBVNFPSA-N 336.460 4.162 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 105363697 HVPVPQFZGNASDB-IKQJIHETSA-N 326.484 4.056 0 40 EIAB O=C(NC1CCCCCCCCCCC1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 221830993 MABQZFKFWMHSOX-PBWTXFEYSA-N 347.499 4.299 0 40 EIAB CCc1ccccc1NC(=O)c1cnc(-c2ccc(OC)cc2)nc1C 223140158 TYFNBSIZTKGNKW-UHFFFAOYSA-N 347.418 4.275 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)CSc2ccccc2)cc1 223387993 QSUMDNBIFQOSEN-UHFFFAOYSA-N 343.492 4.271 0 40 EIAB CCc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1OC 223678455 BAEHLTRXRNRMGQ-UHFFFAOYSA-N 341.432 4.212 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccccc2CC)ccc1OC 224412387 GUDITRGMFPMNKO-UHFFFAOYSA-N 327.424 4.437 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)Nc2ccc(F)cc2)c1 225458597 AZVPWTFOOMPWAU-UHFFFAOYSA-N 338.791 4.075 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1Cl 225674163 VCCAXYSKJVTVKK-AWEZNQCLSA-N 343.854 4.303 0 40 EIAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)nc1 225680235 JJAKGIKTWVARHR-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB Cc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c(C)c1 226039258 LBSXYSZZGBWAOG-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CC1=Nc2ccccc2C12CCN(C(=O)c1ccoc1C1CC1)CC2 585126665 FMXAHUSJTDUKLV-UHFFFAOYSA-N 334.419 4.437 0 40 EIAB CCc1nc([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3o2)no1 606226796 DXQJNPZUOHRQCK-AWEZNQCLSA-N 339.395 4.054 0 40 EIAB CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCC2 130650 BOCFMWMEGUBJFG-UHFFFAOYSA-N 335.469 4.034 0 40 EIAB Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222270 JOJOFTRONHMCLV-HOTGVXAUSA-N 328.778 4.217 0 40 EIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1c(C)cccc1C 242861 RSSIQJZZTLNSHR-QGZVFWFLSA-N 338.451 4.046 0 40 EIAB C[C@@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl 376858 WEGRZIRJQQGVAM-UWVGGRQHSA-N 344.238 4.300 0 40 EIAB CCOC(=O)C(C)(C(=O)OCC)[C@H](C)Cc1cccc2ccccc12 1593368 HNWSKEKQPZGPDB-OAHLLOKOSA-N 342.435 4.151 0 40 EIAB CCCCNC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1738904 JWOJRKKHPYPMAV-UHFFFAOYSA-N 330.815 4.493 0 40 EIAB CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)Cc3ccccc3)cc21 2266542 HDWXEECONLEFQU-UHFFFAOYSA-N 343.448 4.203 0 40 EIAB CSc1ccc(CN2CCC(N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 2734446 JAJAPLOTFAAULU-IAGOWNOFSA-N 332.557 4.351 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 2744215 BLPLELQJAAEKGK-UONOGXRCSA-N 330.225 4.500 0 40 EIAB COc1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 3209344 MRYQZBYSRSHQLN-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3296361 OGWJKVJENAKUSY-GFCCVEGCSA-N 347.361 4.274 0 40 EIAB O=C(OCC(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 3297188 MUHIGDUFXSQILE-UHFFFAOYSA-N 348.729 4.460 0 40 EIAB COc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1OC 4479338 BYTODVYVMWTRAL-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4660356 FVAOBAAJFRWURS-WDMOLILDSA-N 330.255 4.456 0 40 EIAB CC1(C)C(=O)O[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C1=O 4751449 KFHURBGTJOGHMQ-HOTGVXAUSA-N 328.795 4.317 0 40 EIAB Cn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2ccccc21 5128517 TZXIVFNVWDZAAS-SDXDJHTJSA-N 337.231 4.288 0 40 EIAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 5652992 ABKYJYWRCGUCHO-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB CC[C@@H](C)c1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5953922 OFOLNAZBRRZPJO-PVDRVXMASA-N 343.467 4.124 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(C2SCCS2)cc1 6335996 RRXZWFWXBXGTEG-UHFFFAOYSA-N 345.445 4.146 0 40 EIAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F 6667884 XOEUNYGNCVZQNZ-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB CCOc1ccc(C2=C/C(=C3/N=C(C)OC3=O)c3ccccc3O2)cc1 6892450 ITJYVZZSHBGDKV-JZJYNLBNSA-N 347.370 4.205 0 40 EIAB O=C(c1ccc2ncsc2c1)N(Cc1ccc(F)cc1)C1CC1 8265704 UYXGNGQWHRQAPW-UHFFFAOYSA-N 326.396 4.240 0 40 EIAB CN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)c2c(c1)OCO2 8304988 RXAHFJOIVBWRHU-UHFFFAOYSA-N 344.219 4.056 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC)c(Cl)c1 8478011 NXZSAHQWRVVABB-AWEZNQCLSA-N 349.814 4.153 0 40 EIAB O=C(Nc1ccc(F)cc1)c1ccc2nc(-n3cccc3)sc2c1 9047467 MKHXJKNTLZRMRE-UHFFFAOYSA-N 337.379 4.478 0 40 EIAB FC(F)n1ccnc1CSc1nc(C2CC2)n(-c2ccccc2)n1 9366958 QZLBRPGOQKZSIU-UHFFFAOYSA-N 347.394 4.029 0 40 EIAB CCOC(=O)Nc1sc(NC(=O)CC)nc1-c1ccc(C)cc1 9576839 XKRDFOXXQKSHLP-UHFFFAOYSA-N 333.413 4.035 0 40 EIAB COc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1F 9802600 ZLZYBTZVGISIAW-LLVKDONJSA-N 332.400 4.253 0 40 EIAB Cc1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 10429581 ONUZNNYRGYQGNR-UHFFFAOYSA-N 338.451 4.393 0 40 EIAB COc1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2)cc1 11858515 AYWNLUBCJNUQMD-NSCUHMNNSA-N 331.371 4.480 0 40 EIAB CCOc1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)O[C@@H](C)C2 12787853 RJVNOAZJGIDMPY-LBPRGKRZSA-N 345.826 4.243 0 40 EIAB COc1ccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 13690179 MTKPMBZBDKSVQA-UHFFFAOYSA-N 349.415 4.348 0 40 EIAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14061786 MILPFXGDWGKNRY-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB Cc1ccc(/C=C/C(=O)NCCSCc2cccc(C)c2)cc1 14153856 PQMNNRAVJHMEAM-ZHACJKMWSA-N 325.477 4.366 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)Cn1ncn(C2CC2)c1=S 14168638 YSIYIRVKPBCJRK-LLVKDONJSA-N 345.497 4.009 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14401380 OALQZHMCUXMHSX-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB Cc1cc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc(C)c1Cl 15860729 UAIYXNYIRWVPNX-OAHLLOKOSA-N 344.842 4.055 0 40 EIAB O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc(Cl)cc1 17068166 JNAXRBIXIRMRIC-UHFFFAOYSA-N 331.778 4.325 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Br 20104421 LAKOZPDRDDCIGZ-GFCCVEGCSA-N 348.240 4.418 0 40 EIAB Cc1cc(NC(=O)c2cccc(F)c2)ccc1-c1ccc(CO)o1 20138147 ZOYAYDZHKGQDSG-UHFFFAOYSA-N 325.339 4.139 0 40 EIAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(Nc3ccccc3)ncc21 20795846 YAXYYGBYHHAGPD-AWEZNQCLSA-N 333.366 4.272 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccc(Br)s1 25156096 BEUZCJYCVCCRDP-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB Clc1cc2c(c(CN3CCC[C@H]3Cc3ccccc3)c1)OCOC2 25358650 GEMZUJJIJKLUJQ-IBGZPJMESA-N 343.854 4.414 0 40 EIAB COc1cccc(C(=O)CSc2nccn2-c2cccc(C)c2)c1 26046272 KUHTZFCBNUCUKA-UHFFFAOYSA-N 338.432 4.164 0 40 EIAB COc1cccc(OC)c1C(=O)N[C@@H](CC(C)C)c1ccccc1 30757814 BUOIGKXUFUQAAM-INIZCTEOSA-N 327.424 4.221 0 40 EIAB Cc1occc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900642 RINFIJCQNKDLPT-UHFFFAOYSA-N 335.363 4.484 0 40 EIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)s1 36613616 FCUITVQCHXOMGD-SNVBAGLBSA-N 343.374 4.123 0 40 EIAB COc1cccc2cc(C(=O)NCC3(c4ccc(F)cc4)CC3)oc12 38591270 LTVOPYUUWSPBRV-UHFFFAOYSA-N 339.366 4.042 0 40 EIAB O=C(c1cccc(Br)c1)c1cccc(Br)c1 39275508 QBNTVYGGZGPJDZ-UHFFFAOYSA-N 340.014 4.443 0 40 EIAB Brc1ccc(OC2CCNCC2)c(-c2ccccc2)c1 42774896 QUQSEOBXOPVXJI-UHFFFAOYSA-N 332.241 4.247 0 40 EIAB CC(C)Cc1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 44281737 SQHMPRMIOSGFRK-VHSXEESVSA-N 335.395 4.044 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2OC)cc1 44902354 ZDVYNDMJSUNRIT-SFHVURJKSA-N 327.424 4.221 0 40 EIAB CN(C1CCCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 44904359 JVPWJIMQFLIHRB-UHFFFAOYSA-N 331.437 4.042 0 40 EIAB COC(=O)c1oc(CN(C)Cc2cccc(C(F)(F)F)c2)cc1C 48286891 UBMLIQRYALIVTB-UHFFFAOYSA-N 341.329 4.025 0 40 EIAB COc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC(F)F 55455610 DOHKLNQWRLVJGP-UHFFFAOYSA-N 344.317 4.097 0 40 EIAB CC[C@H](c1ccccc1)c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 65259440 XSXZSIJYVMDVFW-SJLPKXTDSA-N 347.418 4.132 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 65530491 QZJMEIVRROYAGG-ZYHUDNBSSA-N 343.452 4.224 0 40 EIAB C[C@H](c1cccnc1)N(C(=O)c1cnc(Cl)c(Cl)c1)C1CC1 69323959 XLCSXEPMSGKQGI-SNVBAGLBSA-N 336.222 4.149 0 40 EIAB Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2F)s1 69737222 LYMIHSIEJKTPCG-UHFFFAOYSA-N 347.337 4.273 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C 69743214 FSIAJGMKBFIDHB-YTXTXJHMSA-N 331.466 4.377 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1cc(F)c(F)c(F)c1 71282661 WIMRUBQATMFTEK-UHFFFAOYSA-N 349.337 4.183 0 40 EIAB C[C@@H](Nc1cccc(N2CCCCC2)c1)c1nc2ccccc2c(=O)[nH]1 71902576 CHCLWXBEXXBVET-OAHLLOKOSA-N 348.450 4.087 0 40 EIAB c1ccc(Cc2cccc([C@H]3CCCN3Cc3ccccn3)n2)cc1 72357708 WKPNGPLWAKDVLD-JOCHJYFZSA-N 329.447 4.405 0 40 EIAB CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@H](C)c1cc2ccccc2o1 75122486 ZOHCCSFKNWSPHQ-CQSZACIVSA-N 338.407 4.043 0 40 EIAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c(C)c1 75572295 JZVVFRYCASIBFE-UHFFFAOYSA-N 337.398 4.497 0 40 EIAB CC(C)(C)Cc1noc2ncc(C(=O)NC3CCCCCC3)cc12 84169923 ADICDZTXUGRUKG-UHFFFAOYSA-N 329.444 4.264 0 40 EIAB CCCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(CC(=O)O)s1 85397377 UZMGYNPENKZOPE-UHFFFAOYSA-N 346.452 4.101 0 40 EIAB CC(C)(C)c1n[nH]cc1CNCC1(c2ccc(F)cc2)CCCC1 95365097 XZXSXAFZELGGLE-UHFFFAOYSA-N 329.463 4.448 0 40 EIAB CC(=O)Nc1ccc(/C=C/c2ccc3cc(C(=O)O)ccc3n2)cc1 95972659 SLJIWBBCNFAACO-RUDMXATFSA-N 332.359 4.062 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@@H](OC)c2ccccc2C)cc1 96104989 QTMALEWKOZETFZ-HXUWFJFHSA-N 341.451 4.291 0 40 EIAB CC(C)NC(=O)c1cc2ccc(-c3ccccc3)cn2c1-c1cocn1 96155518 BBONUJUYFJCGDS-UHFFFAOYSA-N 345.402 4.400 0 40 EIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(C)c1 100033772 WMAANBDKOHCHJT-UZLBHIALSA-N 338.407 4.082 0 40 EIAB CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(C)c1)C2 100425680 DZOVUUTXQPFIKA-OALUTQOASA-N 329.488 4.302 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@H](C1)N2C 100480407 OXVQORLPGKNNFZ-IAGOWNOFSA-N 334.891 4.208 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 113970461 LVYHUYSAGGCHHM-DNVCBOLYSA-N 329.415 4.477 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCS[C@H](c2cccs2)CC1 219483058 CTDASZZRFBLQKQ-IJDCCNJMSA-N 329.490 4.468 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCCCc3ccc(F)cc3)no2)cc1 223279382 PALRVAKCAWQWMI-UHFFFAOYSA-N 338.382 4.152 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCc2ccco2)c1 223308480 PSYZFRMESSIDMG-MRXNPFEDSA-N 329.440 4.228 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)c(C)c1 224130315 CUTQWEPWFZYYPN-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COC 224684786 CLKVITAGFCBHIJ-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB CCOc1ccc(C(=O)N[C@H]2CCCc3cc(OC)ccc32)cc1C 225263034 HFZYABOIYSIFAJ-IBGZPJMESA-N 339.435 4.210 0 40 EIAB COc1ccccc1CCCNC(=S)Nc1cc(C)cc(C)c1 225549013 HDZOWVWOLXMFFO-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB COCCC1(NC(=S)Nc2ccc(C(F)(F)F)cc2)CCCC1 225859495 MRXQPSJCLIRAMW-UHFFFAOYSA-N 346.418 4.341 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 408700446 GDMSCPODNZCKHW-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408708763 MHBPVVVRQUOTKW-OAHLLOKOSA-N 332.488 4.255 0 40 EIAB Oc1cccc(CN2CC3(CCOCC3)c3ccccc32)c1Cl 513174249 QNKKTQBVLXYHPR-UHFFFAOYSA-N 329.827 4.114 0 40 EIAB CCC(F)(F)C(C)(C)CNC1CCN([C@@H](C)c2ccncc2)CC1 527681154 HQZRDEYTFNYSPM-HNNXBMFYSA-N 339.474 4.268 0 40 EIAB O=C(NCc1ccc(F)cc1)NCc1ccc(-c2cccs2)o1 575608861 LGQKQRMKOURPHQ-UHFFFAOYSA-N 330.384 4.147 0 40 EIAB O=C(NCc1cccs1)NC[C@H](c1ccsc1)c1ccco1 618257160 SQAYSDHPUBSGRD-CQSZACIVSA-N 332.450 4.034 0 40 EIAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(F)cc2)c2ccccc21 169589 UILXWMNQUXJHST-UHFFFAOYSA-N 331.412 4.217 0 40 EIAB c1csc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)c1 413665 YXLIBZQGCJGUMP-UHFFFAOYSA-N 349.415 4.404 0 40 EIAB Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 582494 AJXPTTRHSAPLQZ-UHFFFAOYSA-N 337.444 4.391 0 40 EIAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1ccccc1)c1cccs1 1381239 ZBGIDYAFEDPYHM-QGZVFWFLSA-N 343.448 4.095 0 40 EIAB CCOC(=O)N[C@@H](SCc1ccccc1)C(Cl)(Cl)Cl 2065293 CYWPGROLGQQYNO-JTQLQIEISA-N 342.675 4.362 0 40 EIAB Cc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 2512750 IADPVCZOAZKGAG-UHFFFAOYSA-N 348.490 4.156 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2sccc2C)cc1 3315577 DJZBELPXARBKQY-LBPRGKRZSA-N 331.437 4.366 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 3559909 RTQAZRONXCFDDO-UHFFFAOYSA-N 339.725 4.047 0 40 EIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C[C@@H](F)C(=O)C4)[C@H]3CC[C@]12C 4896617 WVBCLXPZFRTXNR-SYGXPURGSA-N 334.431 4.152 0 40 EIAB Cc1ccsc1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 5110547 JEBPAYREOBUEGR-GFCCVEGCSA-N 327.405 4.274 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)cc1C 5343723 KBKSTNNVIGLUEF-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB Cc1cc(C)n(-c2nc(NCc3ccco3)cc(-c3ccccc3)n2)n1 5450797 HGWXKKLFOIUMJH-UHFFFAOYSA-N 345.406 4.151 0 40 EIAB O=C(CCC(=O)c1cccs1)OCc1c(F)cccc1Cl 5860008 PHYRVXFHQCAPLY-UHFFFAOYSA-N 326.776 4.247 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc(-c3cccs3)cs2)c1 7670502 SQLCTNYSTXFODK-UHFFFAOYSA-N 330.434 4.198 0 40 EIAB Cc1nc(N2C[C@@H](C)O[C@H](C)C2)c2c(-c3ccccc3)csc2n1 8078485 HVGORPLHJIVSKN-CHWSQXEVSA-N 339.464 4.280 0 40 EIAB COc1ccc(OCCCc2nc(-c3ccccc3Cl)no2)cc1 8128705 SUENHCOHLFNUQO-UHFFFAOYSA-N 344.798 4.410 0 40 EIAB Cc1nn(C[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 8714360 AKSBGZKYCVKEDK-VIFPVBQESA-N 340.254 4.390 0 40 EIAB O=C(Nc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063267 LPSPVZVGKFMDQA-UHFFFAOYSA-N 328.843 4.191 0 40 EIAB Cc1csc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)n1 10555211 ZJHUKZYRMGGSDB-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB Cc1cccc(C)c1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 11052295 XERKGZSIBZDNLZ-HNNXBMFYSA-N 337.419 4.319 0 40 EIAB FC(F)(F)c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 12428505 VRJZVRSBCOVNNK-UHFFFAOYSA-N 339.129 4.178 0 40 EIAB Cc1cccc(CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)c1 12623658 KIIXQYBSUPGJCF-ZDUSSCGKSA-N 328.799 4.006 0 40 EIAB Cc1nc(NC(=O)CCC(=O)c2ccc(Cl)s2)sc1C 12869926 DDZAILPWNKNTSZ-UHFFFAOYSA-N 328.846 4.076 0 40 EIAB COc1cccc(CCC(=O)Nc2nc3c(C)cccc3s2)c1 13006491 CMNYQKVOWQIGAS-UHFFFAOYSA-N 326.421 4.185 0 40 EIAB COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C 13340605 CTNFTPUIYFUXBE-UHFFFAOYSA-N 340.419 4.393 0 40 EIAB biogenic,in-vitro C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSC(C)(C)C 13708423 JDGKXBUGUHSZFD-CQSZACIVSA-N 331.481 4.255 0 40 EIAB O=C(NCc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 14399086 OCKWRNHFLILSNI-UHFFFAOYSA-N 328.843 4.260 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)cc1 20453570 GYRSRPBPSKZLSQ-KDOFPFPSSA-N 329.465 4.443 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1cccc2ccccc12 20455637 YZVXQGXMXFZCPZ-INIZCTEOSA-N 349.430 4.274 0 40 EIAB CC(C)c1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccccc1 20733624 GSZSSMAUWAFPRX-UHFFFAOYSA-N 345.406 4.032 0 40 EIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1ccccn1 21893934 JSBYBKMWSXKHFW-UHFFFAOYSA-N 338.794 4.420 0 40 EIAB CC(C)[C@H](NC(=O)CCc1ccc(N(C)C)cc1)c1ccc(F)cc1 21974595 UOPCLMUIYDRLDZ-NRFANRHFSA-N 342.458 4.338 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)CCc2ccccc2F)c1 24551347 HGMXIAQYDJSHNZ-UHFFFAOYSA-N 331.387 4.194 0 40 EIAB CC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 25131675 QWJZYSYXNAKGPT-INIZCTEOSA-N 342.464 4.405 0 40 EIAB Cc1nn(-c2ccc(NC(=O)c3ccoc3C)cc2)c(C)c1Cl 27924972 PVPJBLZTJSKZHI-UHFFFAOYSA-N 329.787 4.296 0 40 EIAB O=C(Nc1ccccc1F)Oc1ccc2c3c(c(=O)oc2c1)CCC3 28539409 IHOJWBMKGCMYPO-UHFFFAOYSA-N 339.322 4.032 0 40 EIAB O=C1CCCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1 30447035 RCRNKOJSNOUORA-UHFFFAOYSA-N 336.416 4.458 0 40 EIAB CC(C)(C)c1nc2cc(NC(=O)c3ccc[nH]c3=S)ccc2o1 32830431 DPOQSFMFPAWYJZ-UHFFFAOYSA-N 327.409 4.435 0 40 EIAB Cc1ccc(Nc2nc(C(=O)Nc3nccs3)cs2)c(C)c1 35596821 FNSLDEWRRCMCPI-UHFFFAOYSA-N 330.438 4.212 0 40 EIAB Cc1ccc([C@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1 36437864 LYYWAIRWWBAGOE-NRFANRHFSA-N 347.414 4.291 0 40 EIAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCCCCC2)cc1 38832919 WHGUFEXNIKZZMT-UHFFFAOYSA-N 336.479 4.335 0 40 EIAB CC(C)CCn1c2ccccc2n2c(=O)cc(-c3ccccc3)nc12 40484611 VTSOHJASMMHKGE-UHFFFAOYSA-N 331.419 4.362 0 40 EIAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1ccccn1 41136007 YFYWUZKJGVFPIF-MRXNPFEDSA-N 328.824 4.316 0 40 EIAB Clc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)cc1 49169393 AVLDZLUDQLLTAT-INIZCTEOSA-N 339.826 4.380 0 40 EIAB biogenic,in-vitro Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4C)C3)o2)cc1 49169958 ZYLGMMHMEXTICA-IBGZPJMESA-N 333.435 4.343 0 40 EIAB biogenic,in-vitro Cn1nccc1C(=O)Nc1ccccc1Oc1ccccc1Cl 57991413 UOMWFZACUBLKLN-UHFFFAOYSA-N 327.771 4.118 0 40 EIAB CCCCN(C)c1ccc(C(=O)N(C)Cc2cccc(OC)c2)cc1 58178947 BOOWTMKSKVWLPJ-UHFFFAOYSA-N 340.467 4.204 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1 59475016 WSIZHNFXRMZTND-UHFFFAOYSA-N 348.431 4.171 0 40 EIAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c(C)cccc12 64670664 ZWEFRKCWYDSNMG-UHFFFAOYSA-N 334.419 4.012 0 40 EIAB CCOc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2OC)cc1 69508022 XSSHWNPARDRISP-UHFFFAOYSA-N 336.391 4.341 0 40 EIAB O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)NC1CCCC1 71909889 SHXJZKDGGXQYMD-DEOSSOPVSA-N 348.512 4.332 0 40 EIAB CC(=O)[C@H]1C[C@@H]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 72238808 YYLLMNWSIXHQPJ-OXJNMPFZSA-N 334.394 4.446 0 40 EIAB O=C(N[C@@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1 72303695 UBORIIIYXWULCE-OAHLLOKOSA-N 349.228 4.098 0 40 EIAB COc1ccc(-n2c(C)nnc2SCc2ccc(C)cc2)cc1 75333474 OSYFQGCHRJCXML-UHFFFAOYSA-N 325.437 4.185 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@@H](CSC)c1ccccc1 77282313 GIPGOGMHQSXLPA-SFHVURJKSA-N 344.480 4.449 0 40 EIAB COc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(C)cc1 78814316 YSYKQKMZSWJZIT-KRWDZBQOSA-N 342.464 4.326 0 40 EIAB C[C@H](C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1)n1ccnc1 79073571 RDDBNXWRGRKCHJ-QRWLVFNGSA-N 345.402 4.096 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 84012033 OYGJRCNQQSRESX-CYBMUJFWSA-N 345.446 4.099 0 40 EIAB Cc1ccc(C)c(-n2ccnc2SCCCn2ccnc2C)c1 89626506 SZOPVLDMBJDCTA-UHFFFAOYSA-N 326.469 4.176 0 40 EIAB Cc1nc(-c2cc(C(=O)NC3CCCC3)c3ccccn23)cs1 96154809 DWYOYKFEIHKJAP-UHFFFAOYSA-N 325.437 4.044 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1-n1cccc1)CC2=O 100755457 PRLVLEBEIFWTMG-NHCUHLMSSA-N 336.435 4.201 0 40 EIAB O=c1c2sccc2nc(S)n1-c1ccc(Cl)c(Cl)c1 102263645 KPPOMEKFRMJMQM-UHFFFAOYSA-N 329.233 4.043 0 40 EIAB CCOc1ccc(Br)cc1CNc1ccc(OC)cc1 106956569 JTAZVTQQBCCGSK-UHFFFAOYSA-N 336.229 4.469 0 40 EIAB Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCc2ccccc21 154697659 OOODOCBECFLOTC-UHFFFAOYSA-N 337.810 4.037 0 40 EIAB CCOc1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219861878 LJVSVLUAKOMQPH-UHFFFAOYSA-N 338.451 4.249 0 40 EIAB Cc1ccc(C)c(C(=O)NCCOc2ccccc2C(C)(C)C)c1 223735963 VOSFLTZXZHUBOM-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB CCOCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC 224406376 BVJSYLWGQNCCTJ-UHFFFAOYSA-N 331.437 4.206 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1C 225717474 INVHJCWCPKEDNH-MRXNPFEDSA-N 329.469 4.145 0 40 EIAB Cc1ccc(CC(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 225780732 RYCSICFLCHPKEK-UHFFFAOYSA-N 339.479 4.382 0 40 EIAB Cc1cncc([C@@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1 257304417 SLNZWGHIRWLLOA-OAHLLOKOSA-N 337.448 4.020 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1Cl 585147967 KVKUPCYLZKNRAW-KRWDZBQOSA-N 341.794 4.063 0 40 EIAB CC(C)(C)c1nc2ccccc2n1C1CN(c2ccnc(C3CC3)n2)C1 1889191924 CSFIRYDFTVHIQC-UHFFFAOYSA-N 347.466 4.063 0 40 EIAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 127351 ZJNZMGUHVKDQSF-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB Cc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C 374253 KKYXKLJAXOBYRQ-UHFFFAOYSA-N 337.345 4.035 0 40 EIAB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)cc1 430760 VKNILLMIDSQITM-CPNJWEJPSA-N 329.355 4.193 0 40 EIAB CSc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 1739720 CJVJXDJBFWSUEC-UHFFFAOYSA-N 341.388 4.434 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 1943852 SUGACAZENDXGIP-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COc1ccc(Br)c(C(=O)c2ccc(Cl)cc2)c1 2567548 VDIKTPIPDWEQFN-UHFFFAOYSA-N 325.589 4.342 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1 2591066 WDQDUXRLFBZDRQ-UHFFFAOYSA-N 336.775 4.106 0 40 EIAB Cc1cccc(-c2nsc(SCC(=O)c3ccccc3)n2)c1 2917588 XBMGTYIZJPMPEW-UHFFFAOYSA-N 326.446 4.489 0 40 EIAB COc1ccc(C(=O)CNc2ccc3nc(SC)sc3c2)cc1 3261730 CPMFGANAYNPAHI-UHFFFAOYSA-N 344.461 4.322 0 40 EIAB COc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(F)cc2Cl)c1 3360420 GSUNERNVHOEVMF-UHFFFAOYSA-N 340.709 4.049 0 40 EIAB CC(=O)N1[C@@H](Nc2ccc(Cl)cc2)C[C@H](C)N1c1ccccc1 4723598 ADQFNWFAIRDXIZ-SCLBCKFNSA-N 329.831 4.140 0 40 EIAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)NC2CCCCC2)cc1 4854525 WBFXQRMNKSSJNC-FQEVSTJZSA-N 337.467 4.244 0 40 EIAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1ccco1 5305974 UMOWRKXWTORCHB-UHFFFAOYSA-N 331.327 4.305 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 5514294 TVYDGODHUJHYNL-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB COc1ccc(C(C)=O)cc1CN1C(=O)c2cccc3cccc1c23 6128198 ALYLRCRWKTWWKM-UHFFFAOYSA-N 331.371 4.211 0 40 EIAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1cccc(Cl)c1 6377493 HFDZUYGDICHWEX-UHFFFAOYSA-N 331.843 4.467 0 40 EIAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1nc2ccccc2[nH]1 6664327 KKDMWZBJEPRXSS-AWEZNQCLSA-N 329.403 4.136 0 40 EIAB Cc1nc2ccc(NC(=O)CCOc3ccccc3C)cc2s1 6790487 JQMVZIBAXHPUGQ-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1N1CCCCC1 7056719 LQULQAWLQXXFPM-DTQAZKPQSA-N 342.464 4.090 0 40 EIAB CCCCNc1nc2ccccc2n1CC(=O)c1cc(C)n(C)c1C 8013063 ARHAFSNXGXGEHQ-UHFFFAOYSA-N 338.455 4.087 0 40 EIAB CCc1ccc(-c2nc(C)c(C(=O)Nc3nccs3)s2)cc1 8060554 HEQWPFUSULVPMG-UHFFFAOYSA-N 329.450 4.390 0 40 EIAB Clc1cccc(OCCSc2nncn2-c2ccccc2)c1 9468545 GHTSMIAOBBJBHB-UHFFFAOYSA-N 331.828 4.092 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1OC 10109633 ZURFDOHJLLJNNT-ZRDIBKRKSA-N 348.402 4.294 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(C)cc2)c1 10330955 MUIGJDKRTKHUET-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 12321958 QGQQDNQFNPPGQK-ZLXGRDSLSA-N 344.430 4.333 0 40 EIAB CCOc1ccc(N[C@@H](c2cccc(Cl)c2)P(=O)(O)O)cc1 12540633 JBNCAGCDLSOCGZ-OAHLLOKOSA-N 341.731 4.027 0 40 EIAB CCn1c(NC(=O)c2cc3c(Cl)cccc3[nH]2)nc2ccccc21 12746744 QXPNAPQLKYFUIH-UHFFFAOYSA-N 338.798 4.443 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12992814 BENVJMVQNDEYKB-DHZHZOJOSA-N 347.370 4.199 0 40 EIAB CN(CCC(=O)Nc1ccccc1F)Cc1c(F)cccc1Cl 13009261 IBDTYFQTSCHNCN-UHFFFAOYSA-N 338.785 4.079 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1OCC 13011082 NIAZXOGVQMLEDV-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB COc1ccccc1OCC(=O)Nc1c(Cl)cccc1Cl 14372778 AEUVRAIQWKKOAN-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB Cc1ccc2nsnc2c1NC(=O)C1(c2ccccc2)CCCC1 15867239 UJKCSPAAQYZTFI-UHFFFAOYSA-N 337.448 4.450 0 40 EIAB CCOc1cc(O)c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC 18120621 XJSRKAJJTNPFQO-UHFFFAOYSA-N 329.425 4.175 0 40 EIAB CCCC(=O)Nc1nc(-c2cnn(C)c2-c2ccccc2F)cs1 19697064 PNDKFRBUAWXCAB-UHFFFAOYSA-N 344.415 4.088 0 40 EIAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1OC 19736733 BODINHZYVUDJBE-KBPBESRZSA-N 342.439 4.197 0 40 EIAB Fc1cccc(CNc2ccc(I)cc2)c1 20360975 BFDUVWQDCIALAD-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB O=c1[nH]c(CSc2nc3ccccc3o2)nc2cc(Cl)ccc12 21235147 MRCGAMKVZUHVQL-UHFFFAOYSA-N 343.795 4.010 0 40 EIAB COc1cccc(NC(=O)c2cccnc2NC2CCCCC2)c1 22072126 LMZIHDKRXVXHMF-UHFFFAOYSA-N 325.412 4.087 0 40 EIAB COc1ccc(-c2noc(CNc3ccc(Cl)cc3F)n2)cc1 23004004 FDUJYKRHUSJPSG-UHFFFAOYSA-N 333.750 4.150 0 40 EIAB Cc1cccc(OCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 24477235 QKQBZWRXBZTIGN-UHFFFAOYSA-N 327.468 4.157 0 40 EIAB C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Cl 28735206 AUUPYJVQDCQEAC-OAHLLOKOSA-N 342.870 4.427 0 40 EIAB Cc1cc(N)nc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1 31745665 JJMPGERAEYSPEQ-UHFFFAOYSA-N 341.480 4.390 0 40 EIAB Cc1ccc(-c2ccc(O[C@H](C)C(=O)NCC(F)(F)F)cc2)cc1 32638441 ZMDINMMZTDVWHA-CYBMUJFWSA-N 337.341 4.108 0 40 EIAB CC(=O)c1c(C)[nH]c(-c2csc(Cc3csc(C)n3)n2)c1C 32825885 GCJARFTYYGNTHR-UHFFFAOYSA-N 331.466 4.313 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 36620321 SOALETXGCFYBFV-IBGZPJMESA-N 329.465 4.083 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(C)c(C)c2)cc1OC 44903618 OLOVIZXXXHCPJT-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB CNC(=O)Nc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 53234818 KNMCBBIEHQFTKC-UHFFFAOYSA-N 343.452 4.191 0 40 EIAB Cc1nc(C)c([C@@H](C)NC(=O)N2CCc3sccc3[C@@H]2C)s1 57283652 OFZPNYLUYSOSKZ-MNOVXSKESA-N 335.498 4.211 0 40 EIAB CCc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413480 WBTZHHNRYBHXSH-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB COc1cc(Cl)c(C)cc1NCc1nnc(Cc2ccccc2)o1 62652298 LBWALVSPJJBLHV-UHFFFAOYSA-N 343.814 4.243 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1cnc(-c2ccccc2)nc1 66921061 NVCIQNGFFCQSKE-UHFFFAOYSA-N 342.358 4.051 0 40 EIAB O=C(Cc1cccs1)Nc1ccnn1[C@@H]1CCCc2ccccc21 68563825 TYGSUBDQNIQJEQ-QGZVFWFLSA-N 337.448 4.052 0 40 EIAB O=C(CCc1ccccc1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 70007217 IOSVMQTXKJBSLX-UHFFFAOYSA-N 345.446 4.458 0 40 EIAB CSCc1nnc(S[C@H](C)Cc2nc3ccccc3s2)o1 75105918 JHRMNNSYCHTOPX-SECBINFHSA-N 337.495 4.266 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c(Cl)c1 83562319 GKVGNCJNIAXOPV-BNLOLNQZSA-N 349.862 4.483 0 40 EIAB COc1cccc(-n2ccnc2SCc2nc3ccccc3[nH]2)c1 83975793 RSOAPBWQWIQRCR-UHFFFAOYSA-N 336.420 4.050 0 40 EIAB COc1ccc(CC(=O)N(C2CC2)[C@H](C)c2ccccn2)c(Cl)c1 95414654 VLIWDNACUPTVDI-CYBMUJFWSA-N 344.842 4.038 0 40 EIAB CC(=O)c1c(F)cc(F)cc1OCC(=O)Nc1ccccc1C(C)C 95427696 GPBJEGMHQYBBJT-UHFFFAOYSA-N 347.361 4.308 0 40 EIAB O=C(c1ccc(Cl)cn1)N(Cc1ccsc1)c1cccnc1 193504358 ZOPVYIPDXZXJBO-UHFFFAOYSA-N 329.812 4.039 0 40 EIAB CCCCC1CCC(NC(=O)c2cc(F)cc3nccnc23)CC1 195655919 XDQRAZZYZIXMLF-UHFFFAOYSA-N 329.419 4.248 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)c3cc4ccccn4c3)C2)cc1 206885106 RVTQIDNFOJAXND-SFHVURJKSA-N 348.446 4.358 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@H]1C 223473546 UEFOAEOAHIDLAQ-HZPDHXFCSA-N 335.447 4.311 0 40 EIAB CCCOCc1cc(C(=O)N(C)Cc2ccccc2)ccc1OCC 224708488 MROWNAGJGQWMAM-UHFFFAOYSA-N 341.451 4.284 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccc2ccccc2c1)C1=CCOCC1 252508962 XZNUURZROPKSGQ-JOCHJYFZSA-N 343.426 4.392 0 40 EIAB c1csc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1 306132739 LQSGLVFEBYNAMX-HNNXBMFYSA-N 338.480 4.190 0 40 EIAB COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCCC3)n1 584578314 WCSSWEPKMOUWPO-UHFFFAOYSA-N 342.464 4.159 0 40 EIAB CS[C@@H]1CCCC[C@@]1(O)CSc1nc2ccccc2s1 33350 OXHBWMPKGGPMAO-UKRRQHHQSA-N 325.524 4.425 0 40 EIAB C[C@H](NC(=O)/C(Br)=C/c1ccccc1)c1ccccc1 113673 GIPHXUNZIFRSGR-WIOAZZGGSA-N 330.225 4.300 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCO2)Oc1ccc(Cl)cc1Cl 146692 GRLISAVODBWCNQ-QHHAFSJGSA-N 337.158 4.341 0 40 EIAB Cc1c(C(=O)N2CCCC[C@@H]2C)sc2nc(-c3ccccc3)cn12 429793 QOZQAKZKMDMEAX-ZDUSSCGKSA-N 339.464 4.386 0 40 EIAB CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1C 518904 ZBLWPDSCUAIOFL-UHFFFAOYSA-N 344.750 4.472 0 40 EIAB biogenic Fc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 546056 JOEFLFBYWXCHIZ-UHFFFAOYSA-N 330.322 4.368 0 40 EIAB CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 547687 AOMQCAADFKAUDM-UHFFFAOYSA-N 342.489 4.356 0 40 EIAB CC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1 912053 YJBCAMXPYLKZLC-UHFFFAOYSA-N 331.441 4.082 0 40 EIAB CCc1cccc2c(C(=O)COC(=O)c3ccc(C)s3)c[nH]c12 2645694 IRZNIQNMNSDWRS-UHFFFAOYSA-N 327.405 4.140 0 40 EIAB Cn1c(SCc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 4138446 DMQBLWKAHRJLIQ-UHFFFAOYSA-N 338.411 4.395 0 40 EIAB Cc1ccc(-n2ncc3c(NCc4ccccc4Cl)ncnc32)cc1 4354912 BYFJARUGXKMUMY-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 4725908 PKMXQYDJTCORLI-UHFFFAOYSA-N 326.465 4.441 0 40 EIAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 4854557 DRJDHLHEVJWEKJ-OAQYLSRUSA-N 345.446 4.111 0 40 EIAB Cc1nc(-c2c(C(F)(F)F)oc3cc(O)c(C)cc3c2=O)cs1 5541741 JBRDYNICKNSMNR-UHFFFAOYSA-N 341.310 4.258 0 40 EIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(Cl)cn1 5627234 YCFYAWZCKYXWAF-NSHDSACASA-N 343.839 4.403 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2cccc(C)c2C)ccc1OC 7609982 VJJGNWJDOIAZTC-ZRDIBKRKSA-N 325.408 4.363 0 40 EIAB O=C(CSCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 8317013 VWNHPGXIXKAZBC-UHFFFAOYSA-N 341.354 4.457 0 40 EIAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccccc1 8708041 GLCKOMXNYWYKKG-JTQLQIEISA-N 326.343 4.220 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 8776657 PBECZUYUYPMGRQ-ZETCQYMHSA-N 345.201 4.157 0 40 EIAB CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1CC)c1ccccc1 11605691 BVWUNRLHANITHJ-GOEBONIOSA-N 331.485 4.041 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 11637188 QZOXYHHBLTXCDR-LJQANCHMSA-N 327.424 4.498 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 12390672 JPEVWPCFHBWDKT-UHFFFAOYSA-N 345.402 4.323 0 40 EIAB CCc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12561450 YAVOQSJAHXWYJA-LLVKDONJSA-N 327.453 4.337 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 12686416 YJVLTYQXIAXHBM-UHFFFAOYSA-N 328.368 4.251 0 40 EIAB O=C(CCC1CCCC1)Nc1ccccc1I 12932207 XOBCDYSEOGRERD-UHFFFAOYSA-N 343.208 4.200 0 40 EIAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1C 13670265 PJODDBJBYBIQME-VAWYXSNFSA-N 343.810 4.477 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)CCSCc1ccccc1 13688166 SULZQHRUQKHCKZ-KRWDZBQOSA-N 327.493 4.447 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)COc1cccc2ccccc12 14183178 VAUALAXETWJXBN-AWEZNQCLSA-N 337.444 4.426 0 40 EIAB Cc1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 14215649 PTQTWSKMWYIFNP-UHFFFAOYSA-N 326.421 4.121 0 40 EIAB CCC(=O)N1CCC(c2cc(-c3ccc(F)cc3)cc(C)n2)CC1 19691164 WLDWURNOAPZYGA-UHFFFAOYSA-N 326.415 4.312 0 40 EIAB Cc1ccccc1CNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20107466 BFVDTZDHWZFNBM-KRWDZBQOSA-N 336.479 4.157 0 40 EIAB O=C(Oc1ccc2c(Cc3ccccc3F)noc2c1)c1ccncc1 20744843 ONUGNVFEWNZAIP-UHFFFAOYSA-N 348.333 4.172 0 40 EIAB O=C(Nc1ccccc1O)c1cc(-c2ccco2)nn1-c1ccccc1 22190909 QUQYEYMTNLJMLI-UHFFFAOYSA-N 345.358 4.090 0 40 EIAB CC(C)CN(CCN(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 24768753 LGUTZHLVBDJJCR-UHFFFAOYSA-N 332.275 4.045 0 40 EIAB O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 24829123 WXJHRIDRRKUYAX-KRWDZBQOSA-N 348.368 4.309 0 40 EIAB CCCc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 32777102 UONUTGIAJKMLST-UHFFFAOYSA-N 334.470 4.085 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCCC3=CCCCC3)cs2)o1 32815887 LRVGOLYKYCFDBE-UHFFFAOYSA-N 330.453 4.261 0 40 EIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 32909649 QGEBDOBRQVRBTL-UHFFFAOYSA-N 346.390 4.286 0 40 EIAB C/C=C/c1ccc(OCC(=O)N[C@H](C)c2cccc(F)c2)c(OC)c1 32983542 FCFUZZLJOPIDKL-YVARQFDVSA-N 343.398 4.124 0 40 EIAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 39750431 DBKIYZKATHLGJA-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB CCN(CC)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 40007886 WRNVKUMGZHIQAU-UHFFFAOYSA-N 331.485 4.016 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2ccc(F)cc2)C1 40267929 VFWBSZPRWYBQGN-CYBMUJFWSA-N 343.308 4.413 0 40 EIAB Cc1cc(Br)c2oc(-c3cc(N)cc(C)c3O)nc2c1 40542287 FUVOLFPBIMBJHD-UHFFFAOYSA-N 333.185 4.162 0 40 EIAB O=C(c1cccc(C(F)(F)F)c1)c1ccc(C2OCCO2)s1 43210397 PFFXRLWUIBIXAG-UHFFFAOYSA-N 328.311 4.043 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)[C@H]1CC=CCC1 46246298 DDBHJVVDYXUCBQ-LBPRGKRZSA-N 335.329 4.186 0 40 EIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 47081057 YZUIOMLEWAGVIB-UHFFFAOYSA-N 330.815 4.074 0 40 EIAB COc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)ccc1OCc1ccccc1 48354816 XDHQWOVMKLHIBX-RVKKMQEKSA-N 339.435 4.107 0 40 EIAB Cc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364417 KQEUQENYAQMLDM-QGZVFWFLSA-N 344.414 4.154 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)c1cc(-c2ccccc2)on1 57656146 MPCBGTMBWOJPJB-UHFFFAOYSA-N 336.395 4.296 0 40 EIAB Cc1cc(CNc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)no1 57841836 WVPJUGTYRDLSAV-KBPBESRZSA-N 341.455 4.022 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 61110351 NLORZLLPMDQRQF-UHFFFAOYSA-N 347.462 4.211 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)CC(C)(C)C 65437318 PKLCHQIZQUKGIN-UHFFFAOYSA-N 331.485 4.458 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2cc(F)ccc2C)c1 71761583 NOHVYRCJKQXABN-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CC[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)c1ccccc1 71915126 CYQUCJUIQWBZDN-CQSZACIVSA-N 344.461 4.476 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C(F)(F)F)cc2)C1 89223444 VCCRMYAKJBZXMI-ZDUSSCGKSA-N 330.350 4.127 0 40 EIAB C[C@@H]1N(C(=O)Nc2ccccc2N2CCCCCC2)CCOC1(C)C 89919929 CUKZZISYVZCDDV-INIZCTEOSA-N 345.487 4.098 0 40 EIAB C[C@@H]1C[C@@H](c2ccsc2)CN1Cc1nnc(-c2cccs2)o1 95401049 WYOQIJNWQJCASY-DGCLKSJQSA-N 331.466 4.238 0 40 EIAB Cc1nc(C(=O)Nc2ccccn2)c(-c2ccccc2Cl)s1 95480324 NNPQUXKBZMBEAK-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCC2)c1 100424269 QOHOHNUNUKJMDQ-PMACEKPBSA-N 341.499 4.445 0 40 EIAB CSc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100851260 DFQHEZFHBUPLCX-MAUKXSAKSA-N 326.421 4.178 0 40 EIAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 216898248 NPVJPRSJGLDGLL-UXBLZVDNSA-N 332.783 4.114 0 40 EIAB Cc1cc(OCC(=O)NCCSC2CCCCC2)ccc1Cl 218937059 MFXFVHIDCFAGBJ-UHFFFAOYSA-N 341.904 4.209 0 40 EIAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOCc2ccccc2)cc1 223384433 BTONSXQFIHFTGX-SDNWHVSQSA-N 337.463 4.330 0 40 EIAB CCc1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224423953 UFIUGVCUVRJLQC-UHFFFAOYSA-N 327.424 4.435 0 40 EIAB COc1ccc(C(=O)NC2CCCC2)cc1COCc1ccccc1 224457394 NKEKVVXWJMICCA-UHFFFAOYSA-N 339.435 4.084 0 40 EIAB CCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1Cl 225330387 GIGHFCKWICZUER-UHFFFAOYSA-N 331.843 4.410 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1cc(C)c(C)cc1C 225644945 YOBTYILJBRVWHE-UHFFFAOYSA-N 325.452 4.373 0 40 EIAB Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1F 225655692 AZVFUZBIGHBNIU-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)c2cccnc12 225898789 ZFQSQVRJRSZRCH-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1ccnc(-c2scnc2C)c1 257266457 MDDHLSXHDGJZBJ-UHFFFAOYSA-N 337.448 4.176 0 40 EIAB c1ccc(Nc2cc([C@H]3CCCN3Cc3cscn3)ccn2)nc1 257290992 QFDJWRMNMJQDQP-MRXNPFEDSA-N 337.452 4.014 0 40 EIAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1cccc(O)c1 524733709 ITSGLIUXIPKFAT-GOSISDBHSA-N 340.810 4.465 0 40 EIAB C[C@@](O)(CCc1ccccc1)c1nc(Cc2cccc(Cl)c2)no1 585081644 WZSPDHPVOMUXRX-LJQANCHMSA-N 342.826 4.154 0 40 EIAB Cc1nc2c(s1)[C@@H](N[C@H](C)CCc1n[nH]c3ccccc13)CCC2 1657520233 OMYTVYGHGYVKJS-PXAZEXFGSA-N 340.496 4.316 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1c(F)cccc1F 567811 NCHYBTDBBMTDTC-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(OC)c1 818106 MLVLTLZIRMTBBI-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB CCN(CC)CCCCCNc1cc(OC)cc2c(C)ccnc12 1568078 PLUKEVYNSDVCIT-UHFFFAOYSA-N 329.488 4.476 0 40 EIAB Cc1ccc(NC(=S)NC(=O)C23CC4C[C@@H](CC[C@H](C4)C2)C3)cc1 2299601 YCCWQNYVCHNBSD-SSWGIJEZSA-N 342.508 4.415 0 40 EIAB Cc1ccc(C(NC(=O)N2CCCCC2)=C(Cl)Cl)cc1F 3188975 SNGUGTOEKQGAFG-UHFFFAOYSA-N 331.218 4.433 0 40 EIAB CCOc1ccc2nc(NC(=O)/C=C/c3cccc(F)c3)sc2c1 3231491 CLSOTIAFFBFCEZ-RMKNXTFCSA-N 342.395 4.486 0 40 EIAB O=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1 3244821 IWGKVBFKYHLIRF-UHFFFAOYSA-N 329.812 4.014 0 40 EIAB CCCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@@H](C)C2 4144638 AXYILPIOMQQSJH-LLVKDONJSA-N 337.485 4.424 0 40 EIAB O=C(OCc1nc(-c2cccs2)no1)c1cc2c(s1)CCCC2 7047367 MJPMUBVMQPVSLK-UHFFFAOYSA-N 346.433 4.095 0 40 EIAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 7056487 CAZSUAQVJKBZHS-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccccc1 7785803 OHBVYWFTLBSWRG-UHFFFAOYSA-N 330.431 4.424 0 40 EIAB CC1CCN(C(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2)CC1 8470139 KCVOVZUETLHUFF-ZHACJKMWSA-N 348.446 4.211 0 40 EIAB COCc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 8708995 OZPVFXJDDRLBLE-GFCCVEGCSA-N 337.341 4.343 0 40 EIAB COC(=O)c1cccc(NC(=O)c2ccccc2SC(F)F)c1 8777298 ZVYYTUFZBNPRJQ-UHFFFAOYSA-N 337.347 4.040 0 40 EIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1 11694399 ORGSSGMCGVHDJL-UHFFFAOYSA-N 339.370 4.053 0 40 EIAB Fc1cccc(-c2nnc(S)n2-c2cccc3ncccc23)c1F 12324725 OBZQBYLZEGSSPL-UHFFFAOYSA-N 340.358 4.049 0 40 EIAB CC[C@@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O 12534704 BTDCVOPXVGDSSG-CYBMUJFWSA-N 325.437 4.055 0 40 EIAB O=C(Nc1cccc2c1CCCC2)[C@H]1Cc2cc(Cl)ccc2O1 15582644 UWPMHYHYRUSHEC-GOSISDBHSA-N 327.811 4.161 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccc(OC[C@@H]2CCCO2)cc1 21551497 GBEGNLUCYLUEJV-SFHVURJKSA-N 348.402 4.045 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSc1ccc(C)cc1 22531575 AOPBWFSFMRSZDF-IBGZPJMESA-N 343.492 4.369 0 40 EIAB Cc1cnc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cn1 22865768 YIZKYQIAFGAWDI-UHFFFAOYSA-N 338.436 4.284 0 40 EIAB Cc1cccc(NC(=S)N2C(=O)CSc3ccccc32)c1C 28527751 KQFXZKJQWLFSKM-UHFFFAOYSA-N 328.462 4.139 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 32922726 YYGREZKHGUXGJX-UHFFFAOYSA-N 326.327 4.132 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(C)C 39994057 ALANYDZRJAHAIY-UHFFFAOYSA-N 327.472 4.461 0 40 EIAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCC(F)(F)F 44225885 IQJIFCUXSWVJBA-UHFFFAOYSA-N 341.304 4.229 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1Cl 44899886 LUPVNERKHRPDJF-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB COc1ccc(-c2noc(-c3cc(-c4ccc(C)c(C)c4)n[nH]3)n2)cc1 46914228 SVRNUPJZFKTZRP-UHFFFAOYSA-N 346.390 4.419 0 40 EIAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccccn1 48189228 UVVSYCHRICKAKL-JTQLQIEISA-N 341.263 4.185 0 40 EIAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccccc1Cl 48333760 RDWMDRBGLOCNEU-UHFFFAOYSA-N 343.858 4.045 0 40 EIAB Cc1[nH]c2ccc(C(=O)N3CCC(Oc4ccccc4)CC3)cc2c1C 52797985 ZRLCSYNYIUWECY-UHFFFAOYSA-N 348.446 4.468 0 40 EIAB COCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 58377788 GDYCIQZBRIUORP-UHFFFAOYSA-N 340.448 4.093 0 40 EIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1 71279731 LPNLERWHEAOPKQ-AWEZNQCLSA-N 341.411 4.139 0 40 EIAB CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H](C)c1ccc(F)cc1 71805070 IQWGCIILLBCNHE-ZDUSSCGKSA-N 347.434 4.049 0 40 EIAB O=C(N[C@H]1CCC[C@H]1n1ccnc1)c1sc2ccccc2c1Cl 71843165 IXLHSRJQJJHWTA-QWHCGFSZSA-N 345.855 4.275 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)N(CC)[C@@H]2CCCC[C@@H]2C)cs1 71910045 HOYAPFPYCFSQDE-SQWLQELKSA-N 338.517 4.210 0 40 EIAB Fc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCCN2)c1 72202943 SCODIQXEPJBJLM-FQEVSTJZSA-N 330.422 4.109 0 40 EIAB CC(C)c1ccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)cc1 72229184 WIGYBTXUOWCFCI-UHFFFAOYSA-N 331.847 4.364 0 40 EIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccc(F)cc1 84667962 CQUKVXAYTMOXDP-LBPRGKRZSA-N 331.416 4.173 0 40 EIAB O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CCSCC1 85651690 UTRVOQNCABLBMW-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB COc1ccc(C)cc1[C@H](C)NCc1ccc(Cn2ccnc2)cc1 95420158 XDCXRUDSFLQJRN-KRWDZBQOSA-N 335.451 4.099 0 40 EIAB CC[C@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCO2 95420161 DZULSJUXHUJJSJ-NRFANRHFSA-N 347.462 4.107 0 40 EIAB C[S@@](=O)Cc1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 97233989 UNECVAPURIXFAC-RDPSFJRHSA-N 336.460 4.162 0 40 EIAB O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 100548602 GYXYSDLSMHXYGV-MHORFTMASA-N 341.838 4.356 0 40 EIAB C[C@@H]1CCC[C@@H](NCC2(N[C@H](C)c3ccccc3)CCOCC2)C1 108457630 WHGOYLYBXBVTMZ-QWFCFKBJSA-N 330.516 4.055 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 108907069 KVDPCLPTKHATSA-YESZJQIVSA-N 346.902 4.123 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1 113960555 JPGOWCMQYHNRSD-RDJZCZTQSA-N 327.424 4.038 0 40 EIAB c1ccc(-c2cnc(Nc3cc([C@H]4CCCNC4)ccn3)s2)cc1 143122668 VVGGDIDRIOAUDO-INIZCTEOSA-N 336.464 4.416 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)CSc1nc3ccccc3o1)C2 195532250 ZOJYAXVXZMFELB-XFHNUULXSA-N 344.480 4.251 0 40 EIAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1N 196189734 IHCWYTGZFWVHPD-UHFFFAOYSA-N 344.720 4.202 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccccc2Cl)cc1 220018440 UTTZJCUAGKXLQC-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB O=C(Cc1cccs1)NCCSCc1c(F)cccc1Cl 223139328 QECWDHLQBNBYGK-UHFFFAOYSA-N 343.876 4.133 0 40 EIAB Cc1cccnc1NC(=S)NCC1(c2ccccc2)CCCC1 223972290 VIAZEEYNEGFCQN-UHFFFAOYSA-N 325.481 4.188 0 40 EIAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)cc1C)CC(C)(C)O2 224126600 AMXNXSFBDAQYGC-GOSISDBHSA-N 339.435 4.344 0 40 EIAB CC(C)Oc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 224230633 JUXJVYANCYEOLD-UHFFFAOYSA-N 339.435 4.370 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSC1CCCC1 224759979 JXDUUHBKSKNGNE-MRXNPFEDSA-N 341.904 4.289 0 40 EIAB CC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 225596663 MVSCZKKQQHUKDR-UHFFFAOYSA-N 330.472 4.070 0 40 EIAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccc(C)c(C)c1 225713064 BZDJMORIGMXYBX-HNNXBMFYSA-N 329.469 4.145 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(OC)c(OC)c1 225718674 JTIGXRDRFPNYAK-HNNXBMFYSA-N 348.443 4.281 0 40 EIAB COC(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)o1)c1ccsc1 252479704 BKIDKVOXOAGTHV-ZDUSSCGKSA-N 346.433 4.113 0 40 EIAB C[C@H](CC(=O)NCCOc1cccc(C(C)(C)C)c1)c1cccnc1 524542629 AUGVEMGZNHEBIF-MRXNPFEDSA-N 340.467 4.068 0 40 EIAB Cc1nnc(CNc2cnn(-c3ccccc3Cl)c2C(C)C)s1 583183817 RIYLQRJHJAPKGC-UHFFFAOYSA-N 347.875 4.421 0 40 EIAB C[C@@H](c1ccccc1)N1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 585099672 WBBARXKFNPVNHN-AVRDEDQJSA-N 340.511 4.252 0 40 EIAB c1ccc(-c2cnc(Nc3ccc(C[C@@H]4CCNC4)cn3)s2)cc1 585262924 PSUGMEBVVPSBSG-HNNXBMFYSA-N 336.464 4.101 0 40 EIAB O=C(COc1cccc(F)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 642067750 SFUXZNSVNWEQCW-HXUWFJFHSA-N 339.410 4.273 0 40 EIAB O=C(O)c1sc2c(Br)cccc2c1C(F)(F)F 1083097797 HQQGGRFQLCZXNA-UHFFFAOYSA-N 325.105 4.381 0 40 EIAB CC(C)N1CCN=C1CN1CCCCSc2ccc(Cl)cc21 1250 RZAGBWYFAWQKAE-UHFFFAOYSA-N 337.920 4.155 0 40 EIAB in-man CCCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 132561 ARKAOSZIBAOZRB-UHFFFAOYSA-N 338.359 4.174 0 40 EIAB biogenic CCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21 532849 VWXJJHHWVHTADZ-UHFFFAOYSA-N 325.412 4.076 0 40 EIAB Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C 1003733 ZYEZAEFYFWRHSZ-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C 1100879 YEBZKFCQVHPYAK-UHFFFAOYSA-N 346.477 4.331 0 40 EIAB CCCc1sc(C(=O)N2CCCC[C@@H]2C)cc1Br 1459103 UJNDTYFECRJERL-JTQLQIEISA-N 330.291 4.478 0 40 EIAB CCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721401 DRVDIKCWQKACSJ-UHFFFAOYSA-N 341.842 4.072 0 40 EIAB CCN(C(=O)COc1ccc2c(c1)OCO2)c1cccc2ccccc12 3288132 AIAIHBDPWXGXLB-UHFFFAOYSA-N 349.386 4.000 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSCC(=O)Nc1ccccc1 3363405 KJWRDQUGVHLBAV-UHFFFAOYSA-N 338.432 4.031 0 40 EIAB O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 4110161 FYXFAIPUVOQFAX-MRXNPFEDSA-N 337.366 4.480 0 40 EIAB O=c1nc(/C=C/c2ccc(Br)cc2)oc2ccccc12 4174771 MIWSMVFRSRGVDM-JXMROGBWSA-N 328.165 4.121 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(-c2cn3ccccc3n2)cc1 4370816 KBYMSDBJESOCHE-UHFFFAOYSA-N 343.386 4.019 0 40 EIAB Cc1ccc(SCC(=O)Nc2nc3ccc(F)cc3s2)cc1 4496447 GBJAUFJWJWIFJC-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB O=C1c2ccccc2-c2c(Cl)cc(NC(=O)C(F)(F)F)cc21 4918706 GHWHLGUIPCRNML-UHFFFAOYSA-N 325.673 4.052 0 40 EIAB Cc1ccccc1CSc1ncnc2c1cnn2Cc1ccccc1 5501301 PMJRVNCKAOUGSH-UHFFFAOYSA-N 346.459 4.475 0 40 EIAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)NC(C)(C)C)n1 5557371 WBBORMLBQCVSNI-UHFFFAOYSA-N 335.407 4.240 0 40 EIAB CCCCN[C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5615021 VAKGUDWFEDDYTI-LJQANCHMSA-N 349.430 4.497 0 40 EIAB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1C 5910091 CGBCRBYNAHLMOW-YESZJQIVSA-N 329.440 4.166 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6061818 FVRBMJQDBJEXCH-JTQLQIEISA-N 340.206 4.408 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(C)C 7361131 UNKYNLRFKYFWMS-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Cc1ccc(C(=O)CSc2nnc3ccc4ccccc4n23)cc1 8614969 KIBXIKYFULWSTA-UHFFFAOYSA-N 333.416 4.166 0 40 EIAB CC(C)OCCCN1C(=O)c2ccccc2[C@H]1SCc1ccco1 8951897 FVXVXLIGZGMDDH-LJQANCHMSA-N 345.464 4.483 0 40 EIAB O=c1[nH]c2ccccc2nc1[C@H](Nc1ccccc1)c1ccccc1 9009732 KOKWWRIPTLUQRH-LJQANCHMSA-N 327.387 4.125 0 40 EIAB O=C(Nc1nnc(CSc2ccccc2)s1)C1CCCCC1 9095462 VNCUIUNCTMPACQ-UHFFFAOYSA-N 333.482 4.349 0 40 EIAB Cc1sc2nc(CSc3nc4ccccc4[nH]3)nc(N)c2c1C 9367134 NZVBUINGDCPMEY-UHFFFAOYSA-N 341.465 4.059 0 40 EIAB CCCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 9954510 PTGNXEAVERNRMM-UHFFFAOYSA-N 331.441 4.143 0 40 EIAB O=C(CN1CCc2sccc2C1)Nc1cc(Cl)ccc1Cl 10341007 FALXRHCWZFTUNU-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB CCOC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)nc1C 10342067 ZSJHEGGNHUVARL-UHFFFAOYSA-N 349.390 4.498 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccncc3)n2)c1C 10892076 BVLBWAUWEBOCDC-UHFFFAOYSA-N 340.452 4.286 0 40 EIAB CCCc1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 11565713 NOCGFPIVZFYJOR-UHFFFAOYSA-N 333.387 4.227 0 40 EIAB COc1ccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 11847334 NEVRHKPWPKMXBP-QZQOTICOSA-N 348.427 4.143 0 40 EIAB Cc1ccc(-c2csc3ncnc(NCCCC(=O)O)c23)cc1C 11990472 FYJMGYMLNNVLDX-UHFFFAOYSA-N 341.436 4.252 0 40 EIAB Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2cccs2)on1 12088802 WOIVKGPIHNLVNS-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB Cc1nn(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(=O)O)c12 12395944 INGANDBCBKZWMG-UHFFFAOYSA-N 343.386 4.153 0 40 EIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccc(F)c(F)c1)N3 12641081 AJYBHKUJJANFNK-OAHLLOKOSA-N 345.374 4.045 0 40 EIAB CSc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1 12910187 UKWHCOIFVNLANX-UHFFFAOYSA-N 344.455 4.151 0 40 EIAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 13019098 STBKBSVQRHNLBI-XIKOKIGWSA-N 346.833 4.150 0 40 EIAB CCCN(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 13061482 NBUSWLIZWPXARA-UHFFFAOYSA-N 331.843 4.466 0 40 EIAB COc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccco3)C2)c1 13128638 KPECWVAFTGRHHL-IBGZPJMESA-N 346.386 4.280 0 40 EIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc2[nH]ccc2c1 13691583 AJDXVCTUOFAFKM-UHFFFAOYSA-N 333.416 4.473 0 40 EIAB Cc1nc2ccccc2c(C)c1CC(=O)NCCCc1ccccc1 17298219 SPXFHFPGGKLSBK-UHFFFAOYSA-N 332.447 4.143 0 40 EIAB C[C@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)c1ccccc1 19459188 VUHCTUCOXUNABM-YJBOKZPZSA-N 333.435 4.073 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1OC 20110529 RBHLBRQWVRSEBF-HNNXBMFYSA-N 337.778 4.284 0 40 EIAB C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 20111051 GBTYZOQYEWENKD-HNNXBMFYSA-N 326.415 4.307 0 40 EIAB O=C(O)Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 20138984 NIPOPQYOPSQXJE-UHFFFAOYSA-N 339.778 4.373 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 20451407 DWBWJXHFWVAQBH-LLVKDONJSA-N 339.313 4.120 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4ccccc4[nH]3)s2)o1 32922691 VOCKQATWRZFJQK-UHFFFAOYSA-N 338.392 4.149 0 40 EIAB CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2Br)C1 40098503 CPEHRWBMJIRYRB-GFCCVEGCSA-N 325.250 4.411 0 40 EIAB Nc1cc(C(=O)Nc2cccc3ccccc23)ccc1Br 40296223 IGNGLQICLCJBRM-UHFFFAOYSA-N 341.208 4.437 0 40 EIAB O=C(NCc1ccc(F)cc1)Nc1ccccc1SC(F)F 43552782 SRCUCEHBOJCVDY-UHFFFAOYSA-N 326.343 4.462 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 44945759 KVKIFJAONJXVDG-CABCVRRESA-N 329.465 4.362 0 40 EIAB Cc1cc(CS(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)no1 46108554 IJMPYRIYNFZQNN-UHFFFAOYSA-N 335.469 4.012 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2ccc(O)cc2)CC1 55123612 QLYNENFUDMUEJT-UHFFFAOYSA-N 349.352 4.431 0 40 EIAB COc1cc(NC(=O)N(CCC(C)C)C2CC2)c(OC)cc1Cl 57996595 TWEHRVHXWJKARE-UHFFFAOYSA-N 340.851 4.400 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)c1cnc(-c2ccccc2Cl)s1 65103143 BLNJUONVFSMCRC-UHFFFAOYSA-N 332.816 4.056 0 40 EIAB C[C@H](NCc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1 69370978 YIHLVNBZORXZOK-INIZCTEOSA-N 334.419 4.217 0 40 EIAB Cc1csc(Sc2ccc(NC(=O)C3CCOCC3)c(C)c2)n1 69463210 OYTJMJSENMEVNJ-UHFFFAOYSA-N 348.493 4.276 0 40 EIAB Cc1cc(NCc2ccncc2)n2nc(C)c(-c3cccs3)c2n1 72341685 FYVLQCVXOQASEQ-UHFFFAOYSA-N 335.436 4.082 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cc(C)ccc1OC 76018462 DBTRXTHTBKIAQQ-QAPCUYQASA-N 341.455 4.252 0 40 EIAB CCOC(=O)Nc1cccc(NCc2cnc3cc(C)ccn23)c1C 89984762 QYLXAKUAEYXBAC-UHFFFAOYSA-N 338.411 4.132 0 40 EIAB O=C(OC[C@@H]1CCCO1)C1(c2cccc(C(F)(F)F)c2)CCCC1 95469930 XLJZSZSLQPGDPS-HNNXBMFYSA-N 342.357 4.239 0 40 EIAB C[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc23)C[C@H](c2ccsc2)O1 95965904 ZPLYABLGEGUCBY-SJKOYZFVSA-N 341.436 4.223 0 40 EIAB Cc1nnc([C@H](C)OC(=O)c2cc(-c3ccccn3)ccc2Cl)o1 95974379 LGKSKJAJYCERLU-JTQLQIEISA-N 343.770 4.011 0 40 EIAB O=c1nc2ccc(Br)cc2c(-c2cccc(Cl)c2)[nH]1 96012493 OUIRCAJSHZBNFU-UHFFFAOYSA-N 335.588 4.006 0 40 EIAB c1csc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)c1 96057045 MLZRAKKTHLMVRT-WOJBJXKFSA-N 349.540 4.326 0 40 EIAB O=C(c1cc(Br)cs1)N(Cc1ccsc1)C1CC1 96120290 NZXHTNLYAQMNOC-UHFFFAOYSA-N 342.283 4.377 0 40 EIAB C[C@@H]1Oc2ccc(N[C@@H](C)c3ncc(-c4ccccc4)o3)cc2NC1=O 96436858 RLXQHQGOMFYDOK-STQMWFEESA-N 349.390 4.234 0 40 EIAB CSc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1F 96461739 ZDIIQLNZMZFNPV-CYBMUJFWSA-N 334.420 4.030 0 40 EIAB CC[C@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F 96476581 KJJGCEQDVCEFQJ-LRDDRELGSA-N 335.398 4.497 0 40 EIAB Clc1ccc([C@@H](NCc2c[nH]nc2-c2cccnc2)C2CC2)cc1 97159438 QVARZPCMDMVMGY-SFHVURJKSA-N 338.842 4.366 0 40 EIAB Cc1ccc(-c2cc3nc(C)c(Cc4ccccc4)c(O)n3n2)cc1 100522452 KFOUHETVOGPANG-UHFFFAOYSA-N 329.403 4.310 0 40 EIAB Cc1cc(C)c2oc(-c3ccc(Cl)cc3)c/c(=N/CC(=O)O)c2c1 101170266 QRKXRPRIRAMXPB-PGMHBOJBSA-N 341.794 4.355 0 40 EIAB Cc1ccccc1-n1c(C)c(C)c2c(=N)n(Cc3ccccc3)cnc21 101415558 DMQNYNISEHKGSX-UHFFFAOYSA-N 342.446 4.280 0 40 EIAB COc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1 218927878 DPZOTNOBCPKXHC-UHFFFAOYSA-N 341.451 4.030 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)COc1ccc(C)cc1 219313430 QMEDMNZZTXADCS-MJGOQNOKSA-N 341.451 4.045 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 219602089 QOTSWBSSEQFNCL-SFHVURJKSA-N 329.827 4.477 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)[nH]c3C)N21 222671567 SGKNYOTXVMTUPJ-IAOVAPTHSA-N 326.469 4.006 0 40 EIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(Cl)cc1 223686383 JXNOOYUXLQVRGP-CQSZACIVSA-N 343.854 4.303 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1ccc(C)c(C)c1 223884916 QTOOWTGHOMKZEA-NRFANRHFSA-N 337.463 4.438 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 223975892 ZSPSRQMENXLFNI-UHFFFAOYSA-N 325.452 4.410 0 40 EIAB Cc1cc(C)c(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)c(C)c1 225757679 CPDISXALIKCNCR-UHFFFAOYSA-N 348.446 4.182 0 40 EIAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 245240767 SLODIKZFXFILEX-SPBYYHCPSA-N 332.484 4.341 0 40 EIAB CCOC1CC(CC(=O)Nc2cccc([C@@H](F)C(F)(F)F)c2)C1 1615620872 KLWJAWIASHRCIS-JHANDDDOSA-N 333.325 4.403 0 40 EIAB O=C(CSc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1 31461 NLWVKHBACUQSPD-UHFFFAOYSA-N 346.761 4.485 0 40 EIAB O=C1C=C(c2ccc(Br)cc2)O[C@H](c2ccccc2)O1 53787 GPKBEKRGAMITFW-INIZCTEOSA-N 331.165 4.062 0 40 EIAB CC(=O)N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 230564 HJMQYQQCCHDZEF-CYBMUJFWSA-N 331.630 4.084 0 40 EIAB CCOc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 383690 YVUVAAFOIFSDFL-UHFFFAOYSA-N 327.405 4.039 0 40 EIAB Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)cc2C)cc1 521280 ZFOKFIWEZUUGHG-GOSISDBHSA-N 347.505 4.048 0 40 EIAB Cc1cc(C)cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 544966 MXVJXKSWZDELIJ-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB COC(=O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12 2419385 DGRCNIMEGXTULN-UHFFFAOYSA-N 329.355 4.270 0 40 EIAB CCCCNc1nc2c(-c3cccc(F)c3)nnn2c2ccccc12 2698629 FEJLCCBCXPPUBX-UHFFFAOYSA-N 335.386 4.296 0 40 EIAB Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c(C)c1Cl 2742679 HNAMKQLSJWGFRH-RYUDHWBXSA-N 349.862 4.198 0 40 EIAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccc(F)cc1 4901761 YQLSYFLXDLJXFC-OAHLLOKOSA-N 349.427 4.090 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 5462123 GRURFKXIZYJTDP-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2 5937899 CRSGKQSHXOZLDE-UHFFFAOYSA-N 336.435 4.349 0 40 EIAB Cc1cccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1C 6879758 GGOHJVJHCJZVNQ-UHFFFAOYSA-N 337.341 4.017 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 6942323 CAKVLXNEZCSYJH-UHFFFAOYSA-N 339.826 4.392 0 40 EIAB Cc1ccc(CNc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc1 7615936 YLNUANJERSVHMI-UHFFFAOYSA-N 339.826 4.115 0 40 EIAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 7918631 YRCWWBRHUSKSGN-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(F)cc1Cl 9114718 FEXPNMBPSITCLZ-UHFFFAOYSA-N 335.762 4.219 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2cc3c(F)cccc3s2)c1 9314875 XEPXSAPGUUXIBZ-UHFFFAOYSA-N 328.368 4.251 0 40 EIAB CN(C(=O)CSc1ccccn1)C(c1ccccc1)c1ccccc1 9967676 ZXXTUCRHNRCASU-UHFFFAOYSA-N 348.471 4.422 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 10336509 UZXWSFGRPGUQCL-CYBMUJFWSA-N 344.842 4.050 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1 11693138 ZMVMGKWOBFGDGO-CYBMUJFWSA-N 336.366 4.001 0 40 EIAB Cn1cc([C@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cn1 12119500 BMOLSLDXAHOSRN-WRUMOOJNSA-N 341.499 4.080 0 40 EIAB CC(C)(C)c1nc2ccc(NC(=O)c3ccc[nH]c3=S)cc2[nH]1 12773840 CGZHDVZCYAEPDF-UHFFFAOYSA-N 326.425 4.170 0 40 EIAB CCOc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC 12922193 DGBLPTNSVWIBHZ-SFHVURJKSA-N 339.435 4.244 0 40 EIAB c1csc(-c2noc(CSc3nncc4ccccc34)n2)c1 13023392 LDMFYILJDCCDFW-UHFFFAOYSA-N 326.406 4.034 0 40 EIAB C[C@H]1CCc2sc3ncn4c(-c5ccc(F)cc5)nnc4c3c2C1 13726575 IWJQHZVNFHVHEV-JTQLQIEISA-N 338.411 4.270 0 40 EIAB CSc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 14185831 GFNFPTZVCCVZLD-UHFFFAOYSA-N 345.449 4.389 0 40 EIAB Cc1ccc(-c2noc(CN(C)Cc3cccc(Cl)c3)n2)cc1 15298475 GIPSENIIZXUCOL-UHFFFAOYSA-N 327.815 4.330 0 40 EIAB O=C(CCc1ccc(F)cc1)NCc1ccc(Cl)cc1Cl 18116341 CXBQVACTBGMLSJ-UHFFFAOYSA-N 326.198 4.382 0 40 EIAB O=C(CC1CCCC1)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373904 JHAWHFDZFIGEJR-KCZVDYSFSA-N 340.511 4.094 0 40 EIAB Cc1cccc2c(=Nc3ccc(OC(C)C)cc3)c(C(=O)O)c[nH]c12 19795515 UUVXQHWBLJXYHR-UHFFFAOYSA-N 336.391 4.194 0 40 EIAB COc1ccc(C)cc1CN(C)C(=O)CCn1ccc2ccccc21 21938826 DYYHCWMRGAWXLS-UHFFFAOYSA-N 336.435 4.007 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)ns1 27664115 PKSMLOSJEAZNHI-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB O=C(CCSc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 28239907 IXSVJLIXTHWNMC-UHFFFAOYSA-N 334.784 4.348 0 40 EIAB FC(F)(F)c1cnc(SCc2cn3cccnc3n2)c(Cl)c1 29034745 PAUFURAOZDOFOC-UHFFFAOYSA-N 344.749 4.089 0 40 EIAB COC(=O)c1cc(NC(=O)CSc2ccc(C)cc2)ccc1Cl 31056418 FEJRHWVTIGANER-UHFFFAOYSA-N 349.839 4.166 0 40 EIAB Cc1cc(S(=O)(=O)NCC2=CCCCC2)c(Cl)cc1Cl 36636277 TUMXWDQUGQHLEW-UHFFFAOYSA-N 334.268 4.081 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H]1CCc2ccccc21 40015952 MGEAXXDEUPECBE-FQEVSTJZSA-N 331.415 4.268 0 40 EIAB Cc1nc(C(C)C)sc1C(=O)NCCCCOc1ccccc1 40093841 IWXMVHLENGHPFO-UHFFFAOYSA-N 332.469 4.164 0 40 EIAB CCc1cccc(CC)c1NC(=O)NC[C@@H](O)c1cccc(Cl)c1 40098941 UYPGXJVCUAUGMR-QGZVFWFLSA-N 346.858 4.320 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@H](C)c1cccs1 44896362 ZVDJAYUYKZAGCS-CYBMUJFWSA-N 340.448 4.474 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc2ccccc2[nH]1 55740295 KWXFUJNBTOVWDO-UHFFFAOYSA-N 347.418 4.046 0 40 EIAB Cc1ccc2cc(C(=O)NCCc3cc(F)cc(F)c3)c(C)nc2c1 60310200 VROMPARROSSNAX-UHFFFAOYSA-N 340.373 4.102 0 40 EIAB CN(Cc1csc2ccccc12)C(=O)c1cc(=O)[nH]c2ccccc12 60686472 LMDHQXVEOJGWNY-UHFFFAOYSA-N 348.427 4.015 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(Cn2cccn2)cc1 69186905 YNIQVYXAHQUEPX-CQSZACIVSA-N 340.452 4.218 0 40 EIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)NC1CCN(C)CC1 71854039 BVRZJUCVGVIQGQ-UHFFFAOYSA-N 335.517 4.101 0 40 EIAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1Cl 72228975 CFKCNUVELCFNRV-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)c1ccccn1 78280472 GNPWQMBVVOKNAR-UHFFFAOYSA-N 345.402 4.322 0 40 EIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C1=COCCC1 95413098 TVXZFWDJKHYYPF-CQSZACIVSA-N 342.464 4.332 0 40 EIAB Cc1n[nH]cc1CNc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 95429098 HTKKQRLURZGPPR-UHFFFAOYSA-N 342.443 4.018 0 40 EIAB O=C(NCCSc1ccc(Cl)cc1)NCCc1cccs1 95469934 MHGOLMLOPHARAA-UHFFFAOYSA-N 340.901 4.036 0 40 EIAB O=C1N[C@H](c2ncccc2C(F)(F)F)Nc2c1sc1ccccc21 95979980 FSDJBOCYHMVPPG-CQSZACIVSA-N 349.337 4.169 0 40 EIAB O=C(CCc1ccsc1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 97016159 XKHONGJIJBRHRW-IRXDYDNUSA-N 347.480 4.169 0 40 EIAB CN[C@]12C[C@H]3C[C@H](CC([C@@]45C[C@@H]6C[C@@H](C[C@@](NC)(C6)C4)C5)(C3)C1)C2 100263272 RFZPLLLYXVWISV-DZSLKLEOSA-N 328.544 4.103 0 40 EIAB C[C@H]1CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C2=C(O)C1 102602571 GXIMBOBVUBELFW-LKFCYVNXSA-N 348.328 4.214 0 40 EIAB C[C@H](N[C@H](c1ccccc1)c1ccco1)c1ccc([S@@](C)=O)cc1 108112424 DUAPMYXHDMWETO-VNJOCVIMSA-N 339.460 4.457 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C)c1 113970280 CPSRDDOIMAUPDD-GOSISDBHSA-N 331.843 4.431 0 40 EIAB CN1N(C)C12CC[C@]1(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CC[C@@H]1C2 118919246 SXXLVVHRVNMRJU-BBHYVGMTSA-N 346.559 4.269 0 40 EIAB Cc1c(C=O)c2ccccc2n1C(=O)c1cccc(Br)c1 216953322 CUSFKMTVQULAPP-UHFFFAOYSA-N 342.192 4.213 0 40 EIAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cccnc2C)CCS1 219294397 DKDPKANXTQYTEP-SFHVURJKSA-N 326.465 4.019 0 40 EIAB CC1CCN(c2ccc(NC(=S)NC3CCCCCC3)cn2)CC1 224041752 JGRSZIABJGUYKJ-UHFFFAOYSA-N 346.544 4.327 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2cc(C)cc(C)c2)cc1 224056088 KTFXMIZVFOCOJE-UHFFFAOYSA-N 343.492 4.289 0 40 EIAB COc1cccc2cc(C(=O)Nc3nnc(SC(C)C)s3)oc12 224066966 NXSXFMRSTWKILY-UHFFFAOYSA-N 349.437 4.046 0 40 EIAB CCOc1cccc(CNC(=S)Nc2ccc(OC(C)C)cc2)c1 225440395 ZGYAPVBOIOSWQI-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 225469345 GJDAGSDPAYGFNQ-CQSZACIVSA-N 342.464 4.219 0 40 EIAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccccc1F 226287704 CNSIXCJAUROOES-UHFFFAOYSA-N 346.361 4.238 0 40 EIAB CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc(Br)c1 226818000 HFPNPYGEHBRNLR-HNNXBMFYSA-N 347.212 4.048 0 40 EIAB Fc1ccc(CSc2nnc(COc3ccccc3F)o2)cc1 409384421 BETVKZUJHYCWHS-UHFFFAOYSA-N 334.347 4.219 0 40 EIAB O=C(Cc1cscc1Br)N(CCC1CC1)CC1CC1 620630988 CGSVUHWWJGFWKI-UHFFFAOYSA-N 342.302 4.092 0 40 EIAB CC(C)(C)OC(=O)N[C](Cc1ccc(-c2ccccc2)cc1)C(=O)O 1560406247 QGVRYJJDCQWCSB-UHFFFAOYSA-N 340.399 4.037 0 40 EIAB Cc1ccc2sc(CNC(=O)c3csc(C(C)C)n3)nc2c1 1648187343 VLNPWBBHSZOKSV-UHFFFAOYSA-N 331.466 4.115 0 40 EIAB Cc1ccc(NC(=O)NCCc2ccc(-c3cnn(C)c3)cc2)cc1C 1889299849 IALOTNJYYANIOZ-UHFFFAOYSA-N 348.450 4.068 0 40 EIAB Cc1cccc(C)c1OC(=O)NC(C)(C(F)(F)F)C(F)(F)F 33284 HAXKCERVXRRBDZ-UHFFFAOYSA-N 329.240 4.275 0 40 EIAB CC(C)(C)NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 55386 RHSCAKHQCYDZBW-UHFFFAOYSA-N 331.466 4.135 0 40 EIAB Cc1cccc(NC2=C(Cl)C(=O)N(c3cc(C)cc(C)c3)C2=O)c1 132207 FSHZOMOENKNSNL-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1C 150373 VIEBBYAJJTUULL-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(=O)c2ccccc2o1 189181 AXZCENIZJLHNSM-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 1621902 CIAOQAUAMGXMOH-VQTJNVASSA-N 327.383 4.127 0 40 EIAB C[C@H](COc1ccccc1Cl)OC(=O)C(Cl)(Cl)Cl 1689187 WQIPBQODMDVSJE-SSDOTTSWSA-N 332.010 4.021 0 40 EIAB COc1ccc(CSc2nnc(-c3cccc(C)c3)n2C)cc1 2352971 KGCQPBYRKFZFCE-UHFFFAOYSA-N 325.437 4.091 0 40 EIAB CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccc(Cl)c1 2444626 XOQALFVNNAEKFG-UHFFFAOYSA-N 337.876 4.326 0 40 EIAB O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 3357033 XKOYOZWWGPMEKE-DHZHZOJOSA-N 338.794 4.350 0 40 EIAB O=C(CSc1nnc(Nc2ccccc2)s1)c1ccccc1 3369529 ANELZUMFBSIRLZ-UHFFFAOYSA-N 327.434 4.257 0 40 EIAB COc1ccc2nc(NC(=O)c3ccccc3SC)sc2c1 3479263 PUNZXVFXKMCAPK-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1 3512289 RPUZLKNPYGEHNM-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB C[C@H]1CN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C[C@@H]1C 4411208 CZDWKRSKCXMEKV-QIJZPMMNSA-N 341.495 4.258 0 40 EIAB COc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1 4678676 ZIUUXKHDWSVSAH-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12 4785698 LKNIJKKUVKJWHH-UHFFFAOYSA-N 332.447 4.305 0 40 EIAB C[C@H](O)CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 5323343 ZSJFLHASBREOPB-HNNXBMFYSA-N 339.410 4.028 0 40 EIAB Cc1cccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)c1 5548637 STYGAUWRRWINOP-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cc1cccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)n1 6672327 GJUVGEGLQPVOBT-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nccs1 6789062 DLSNMEDABKEHBP-UHFFFAOYSA-N 335.841 4.101 0 40 EIAB Cc1ccc(NC(=O)CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 6937491 MURRQGFSBFFSHJ-RMJOCGACSA-N 340.511 4.436 0 40 EIAB COc1ccc(C2CC(=O)C(Cc3c[nH]c4ccccc34)C(=O)C2)cc1 8336918 MMAOBEKOZJMNRF-UHFFFAOYSA-N 347.414 4.051 0 40 EIAB biogenic COc1cc(CNC2CC2)ccc1OCc1c(F)cccc1Cl 8471315 DZDZMZJZDOKNDJ-UHFFFAOYSA-N 335.806 4.319 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSc1ccc(C)cc1 8478803 MVTIRIMMQSDWPO-GOSISDBHSA-N 329.465 4.061 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSc1ccc(C)cc1 8496838 PIYZLTWOBBJZIB-LJQANCHMSA-N 343.492 4.369 0 40 EIAB CC(C)c1ccc([C@H](NC(=O)NCc2ccncc2)C(C)C)cc1 9761031 QVDHTLPETIDYML-LJQANCHMSA-N 325.456 4.402 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CCC1 10221472 RMYNDJIMVFXVSO-UHFFFAOYSA-N 329.827 4.200 0 40 EIAB COc1cccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 11552604 BTYAMGLAFXGENH-UHFFFAOYSA-N 336.775 4.010 0 40 EIAB O=C(O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396045 WVDDKLOKIGNCBJ-UHFFFAOYSA-N 337.354 4.013 0 40 EIAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1CC=CCC1 12600642 FKADHCRCZAZLOX-CYBMUJFWSA-N 327.405 4.408 0 40 EIAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1 12743114 SGVQNUIBOBISNN-LLVKDONJSA-N 342.386 4.226 0 40 EIAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(OC(F)F)cc1 12869257 YUIMIHARHSOKJU-VIFPVBQESA-N 327.277 4.057 0 40 EIAB O=C(O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 13166714 LKPBKGQEOWIITG-UHFFFAOYSA-N 347.370 4.216 0 40 EIAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2ccccc2)n1 13701174 DZWIYIFYMBNUSC-UHFFFAOYSA-N 335.407 4.220 0 40 EIAB COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 14467237 KZSJBYJXLHWQIF-UHFFFAOYSA-N 348.402 4.086 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)cc1 15358172 JPLWCNOVOACSBC-LLVKDONJSA-N 339.313 4.120 0 40 EIAB CC(=O)Nc1ccc(-c2csc(COc3ccc(F)cc3)n2)cc1 16941296 AAWBVUGPRZYCPM-UHFFFAOYSA-N 342.395 4.487 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C(C)C)cc2)cc1 25426440 OAGAQNLWBQPAJO-HNNXBMFYSA-N 339.439 4.029 0 40 EIAB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1OC(F)F 27358973 AIWYZKLPLMRURD-HNNXBMFYSA-N 335.350 4.178 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 30857931 XQFVSBCGHLWACY-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(Cl)c1 32827570 CXXOIEQPIZBKGX-ZDUSSCGKSA-N 341.842 4.416 0 40 EIAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@@H]1Cc2ccccc2C1=O 35316507 RBPKYYKROVTQNM-DLBZAZTESA-N 329.440 4.221 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccccc1F 36621054 WDHPOLIMFDSLQZ-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB Cc1c(-c2csc(CCN3CCCC3=O)n2)oc2ccccc12 40091369 IUWPPLQLIFHSPH-UHFFFAOYSA-N 326.421 4.030 0 40 EIAB Cc1c(C(=O)Nc2cccnc2N2CCCC2)oc2c(F)cccc12 48252219 HJVIPKGRWBZCLI-UHFFFAOYSA-N 339.370 4.128 0 40 EIAB CC(C)Cn1c(SCc2cccc(F)c2)nc2ccccc2c1=O 59094242 QMQMCEMCIOSYBZ-UHFFFAOYSA-N 342.439 4.484 0 40 EIAB O=C(CCCOc1ccccc1Cl)N1CCC[C@@H]1c1ccccn1 69484087 JAHCFECYTSCRQI-QGZVFWFLSA-N 344.842 4.258 0 40 EIAB CC(C)(C)c1csc(CNC(=O)c2ccc(-c3cnco3)cc2)n1 71856453 YAAZRPQUUPHABC-UHFFFAOYSA-N 341.436 4.026 0 40 EIAB O=C(Nc1cccc2c1CCCC2)c1cccnc1N1CCCCC1 71918815 RGAAVXWFANPFKZ-UHFFFAOYSA-N 335.451 4.203 0 40 EIAB CCc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 72328606 PZVYMIJLAYJPFI-UHFFFAOYSA-N 343.854 4.026 0 40 EIAB CN(Cc1nccs1)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 74879969 ASCGWQLCTZNMGO-QGZVFWFLSA-N 341.436 4.182 0 40 EIAB O=C(Nc1ccc(Br)c(F)c1)c1ccc(Cl)cc1 84847224 OROAQFHOIUUYAY-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1cccc(C)c1NC(=O)NC1CCN(CC2CCCC2)CC1 89688838 WVEHTJHWNHARQU-UHFFFAOYSA-N 329.488 4.080 0 40 EIAB c1cc(Cn2cccn2)cc(NCc2cnc(-c3cccnc3)s2)c1 89780598 LNJZTQWVXRUVJN-UHFFFAOYSA-N 347.447 4.062 0 40 EIAB C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@H]1COc2ccccc21 89894423 OIISKFOLMPAOMA-CXAGYDPISA-N 349.390 4.028 0 40 EIAB C[C@@H](OC(=O)c1ccc(Br)o1)c1nc2ccccc2o1 95461471 XQIMIWMPELRYNK-MRVPVSSYSA-N 336.141 4.101 0 40 EIAB C[C@H](Nc1ccc(CN2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 97037132 JJCCIMQMVZPTNK-FYSMJZIKSA-N 342.508 4.193 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)cc1C 100746016 VZNKPVJIYXDMTG-QIJZPMMNSA-N 347.458 4.486 0 40 EIAB COc1ccc(Nc2nc(Cc3cccc(OC)c3)cs2)cc1 211138146 UFXZGIZCFFMGII-UHFFFAOYSA-N 326.421 4.495 0 40 EIAB CCCc1ccc(OCCNC(=O)CSc2ccc(C)cc2)cc1 223388771 WPUCGQSMQFRDLP-UHFFFAOYSA-N 343.492 4.235 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COC)c1 224402356 FOBBJMVWNAFMMQ-UHFFFAOYSA-N 327.424 4.219 0 40 EIAB O=S(=O)(NCC1=CCCCC1)c1ccc(Oc2ccccc2)cc1 224480363 POSUBRUNCQAESN-UHFFFAOYSA-N 343.448 4.258 0 40 EIAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COCc1ccccc1 224744475 QMLLEWJKGHPGCY-UHFFFAOYSA-N 341.451 4.330 0 40 EIAB Cc1cc(C)c(NC(=O)c2coc(-c3ccccc3)n2)c(Cl)n1 225434524 AOUOFFWJVUUINP-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB c1csc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1 306142912 XOBHPHIINAUCTR-MRXNPFEDSA-N 338.480 4.047 0 40 EIAB O=C(Nc1cncc2ccccc12)[C@@H]1COc2ccc(Cl)cc2C1 534743204 IMWRDWGDTVNKBA-AWEZNQCLSA-N 338.794 4.078 0 40 EIAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cn2cc(C)ccc2n1 560048079 IWSDPDMUPQLUGQ-AUUYWEPGSA-N 343.858 4.162 0 40 EIAB CN1CCN(Cc2cnc(-c3ccccc3)s2)c2ccccc2C1 581599241 WBSVQRAEARQHEO-UHFFFAOYSA-N 335.476 4.262 0 40 EIAB Cc1nc(-n2cnc3cc(C)c(C)cc32)c2c3c(sc2n1)CCC3 90270 YJYJBZFPDRIDJM-UHFFFAOYSA-N 334.448 4.444 0 40 EIAB Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccccc1)CSC2 190349 JFFRYMKNAGDGCK-UHFFFAOYSA-N 349.459 4.109 0 40 EIAB Fc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 205872 ZQBUZNPHZFDPCF-CVEARBPZSA-N 328.778 4.217 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccccc1Br 556456 DDSYSYFQGLGIEP-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB CN1[C@H]2CC[C@@H]1C=C(N(CCc1ccccc1)C(=O)c1ccccc1)C2 1198943 HGGDJEQUDXEESF-RTWAWAEBSA-N 346.474 4.122 0 40 EIAB CCN(CCNc1cc(OC)cc2cccnc12)CCc1ccccc1 1656114 HIPLPKKDEDRNHE-UHFFFAOYSA-N 349.478 4.220 0 40 EIAB CC(C)OC(=O)N[C@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl 1893156 PICJRVTYPNGTPI-JTQLQIEISA-N 343.613 4.069 0 40 EIAB Cc1ccccc1N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 3051333 RZZGLYBCMNRSCY-CYBMUJFWSA-N 337.678 4.266 0 40 EIAB COc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1OC 3242971 QZHHZQVPLXDWHB-UHFFFAOYSA-N 340.297 4.080 0 40 EIAB O=C(CCCOc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 3343657 GDQBHSITLZCJKW-UHFFFAOYSA-N 339.313 4.383 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 3555986 KXGLLZGPKLRUPM-UHFFFAOYSA-N 325.408 4.331 0 40 EIAB COC(=O)c1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1 3560700 ZUSUIJVOYBGWLN-UHFFFAOYSA-N 348.354 4.485 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 3620163 RJIRNOZHFIPKOO-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB C[C@@H]1CN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C[C@@H]1C 4411207 CZDWKRSKCXMEKV-YHELAOLJSA-N 341.495 4.258 0 40 EIAB Cc1cc(N)c2cc(NC(=O)/C=C\c3ccccc3Cl)ccc2n1 4769600 MLKVGBZASWPPOU-TWGQIWQCSA-N 337.810 4.431 0 40 EIAB CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4783555 HQWPPVLSHLFTDY-GRRDBQFMSA-N 329.484 4.180 0 40 EIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(F)c1 6219413 BHWNHQOOMZHDNQ-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1OCC 6602079 FENMQQUEMCHMJY-UHFFFAOYSA-N 335.787 4.095 0 40 EIAB COc1ccc(Nc2nc(COC(=O)c3ccsc3)cs2)cc1 7149706 OSNFGWHQACDUPC-UHFFFAOYSA-N 346.433 4.314 0 40 EIAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 7926912 ISTHPIBSNSLWPW-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB Fc1ccccc1-c1nnc(SCc2cscn2)n1C1CC1 8185801 MWFLPAHTBDECIQ-UHFFFAOYSA-N 332.429 4.168 0 40 EIAB CCCCN(C)Cc1c(C)nc2ccc(N(CC)CC)cc2c1O 8717359 IUKSDPQWRPZBGV-UHFFFAOYSA-N 329.488 4.327 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2ccccc2o1 9755688 GZXIWOBGMORPBS-LBPRGKRZSA-N 344.411 4.279 0 40 EIAB Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1cccc2ccccc12 11612455 GSSSRSICZOGEIC-UHFFFAOYSA-N 345.398 4.147 0 40 EIAB COc1ccc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)nn1 11694516 MHUAZTFIZTVAPB-UHFFFAOYSA-N 334.379 4.105 0 40 EIAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2ccccc2[nH]1 11831161 JGWVOFBKMJLCKA-UHFFFAOYSA-N 336.322 4.319 0 40 EIAB Cc1ccc2[nH]cc(-c3csc(NC(=O)[C@@]4(C)CCCO4)n3)c2c1 12198604 RVZZLNWZCXTONV-GOSISDBHSA-N 341.436 4.107 0 40 EIAB Cc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(F)cc1)C3 12236793 ZNMMFSBVWYNGMY-UHFFFAOYSA-N 336.366 4.239 0 40 EIAB COC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccc(F)cc1 12397217 CUPTUWOETSCYAO-UHFFFAOYSA-N 347.349 4.013 0 40 EIAB C/C=C/C=C/C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 12519834 AALMSJUNPDHMQV-MQQKCMAXSA-N 327.384 4.273 0 40 EIAB CC(=O)[C@H](C)Sc1nc(-c2ccccc2)c2c(C)cc(C)nn12 12559982 LSFVOKFYFZIKOP-AWEZNQCLSA-N 325.437 4.083 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1ccc(OCc2cscn2)cc1 12863544 JYDWZFHQBMLGFB-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CN(C)C(=O)c1sc2cccc(F)c2c1COc1ccccc1 13006904 MTQPLYMJPZXNJP-UHFFFAOYSA-N 329.396 4.321 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)no1 14094323 FJXFONVCISAVKC-UHFFFAOYSA-N 338.392 4.149 0 40 EIAB O=C(NCCCOc1ccccc1F)c1ccc(C(F)(F)F)cc1 14167081 CCTIEAQZXGIYPW-UHFFFAOYSA-N 341.304 4.043 0 40 EIAB Cc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1O 14702963 ZSJKZNZYYWMCQB-UHFFFAOYSA-N 331.418 4.243 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 16310570 ICTLYSZIXCXPLO-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB O=C(O)Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 16401360 AHHASSIOMFVUJT-UHFFFAOYSA-N 339.178 4.265 0 40 EIAB Cc1ccc(C)c([C@@H](O)CN2CCC(Oc3ccccc3F)CC2)c1 19132006 VVGFVOYDWHHXLU-FQEVSTJZSA-N 343.442 4.019 0 40 EIAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc(C(=O)O)c1O 20138864 OFRPVFDHCLWVBL-UHFFFAOYSA-N 347.370 4.318 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20458479 PNERQWQHXCUTCT-MOPGFXCFSA-N 345.414 4.259 0 40 EIAB Cc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1 21734921 BDLWXODNGNAOFW-UHFFFAOYSA-N 328.422 4.275 0 40 EIAB CCCCCc1oc2ccccc2c(=O)c1I 21997140 CYZRZGMGTQCETR-UHFFFAOYSA-N 342.176 4.130 0 40 EIAB COc1cc(CC(=O)NCC2(c3ccccc3)CCCC2)ccc1C 24883903 XOICYCFQMPZVFK-UHFFFAOYSA-N 337.463 4.174 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1 28605364 GPNIGFKKNGNLLX-MRXNPFEDSA-N 339.420 4.001 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 30754130 LQCSHWQWCBKHIX-SFHVURJKSA-N 336.479 4.472 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)cc1OC 30850197 FAJIGBYDTPRWND-GOSISDBHSA-N 343.423 4.117 0 40 EIAB Cc1cccc(C(=O)Nc2ccccc2SCC(F)(F)F)n1 36391622 CZXGBNYERUANII-UHFFFAOYSA-N 326.343 4.297 0 40 EIAB CCCn1ncc2c(C(=O)N(CC)c3ccccc3)cc(C3CC3)nc21 36616575 XSHAVSCQDGPREJ-UHFFFAOYSA-N 348.450 4.385 0 40 EIAB Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccc(Cl)cc3)C2=O)c(C)c1 36635530 GAOMXYWKPWITJP-INIZCTEOSA-N 342.826 4.009 0 40 EIAB Cc1cc(NC(=O)c2ccco2)n(-c2cccc(C(F)(F)F)c2)n1 40047045 ZLMMYFHBFCGWRK-UHFFFAOYSA-N 335.285 4.045 0 40 EIAB Cc1cnc(NC(=O)CCOc2cccc(Cl)c2Cl)s1 40140523 PHDLWQXDKPZHGS-UHFFFAOYSA-N 331.224 4.166 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@@H](C)c1cccs1 44896360 ZVDJAYUYKZAGCS-ZDUSSCGKSA-N 340.448 4.474 0 40 EIAB CC(C)n1ncc2cc(NC(=O)NCCC3=CCCCC3)cnc21 58263886 TWYNXIBGLHDFKR-UHFFFAOYSA-N 327.432 4.024 0 40 EIAB Cc1csc(-c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)n1 58324199 MSIBIUMJGQGODW-UHFFFAOYSA-N 326.425 4.148 0 40 EIAB CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)c(C)c1 58326055 XFLKQYUVWWACSP-GOEBONIOSA-N 348.512 4.083 0 40 EIAB Cc1ccn2cc(CNc3ncc(C(F)(F)F)cc3Cl)nc2c1 58413023 GCKHVNLRHMHGLB-UHFFFAOYSA-N 340.736 4.322 0 40 EIAB Cc1ccc(-c2noc(CSCCOc3ccccc3)n2)cc1 65591397 AFKSEFAPPURVJH-UHFFFAOYSA-N 326.421 4.357 0 40 EIAB CCOC(=O)c1csc(NC(=O)c2sc3ccccc3c2C)n1 69454641 FDZLGHMBHUFYRG-UHFFFAOYSA-N 346.433 4.095 0 40 EIAB Fc1ccc([C@@H](NCc2nnc(-c3ccco3)o2)C2CCC2)cc1 69709896 GNIMELCEHUTLKM-KRWDZBQOSA-N 327.359 4.100 0 40 EIAB O=C(Nc1ccc(Br)nc1Cl)c1cc(F)ccc1F 75142517 QOEQQRYFBTTXNS-UHFFFAOYSA-N 347.546 4.028 0 40 EIAB Cc1ccc(C)c(OCCn2c(CN3CCCC3)nc3ccccc32)c1 76555511 RPYYVGXOTUILTO-UHFFFAOYSA-N 349.478 4.328 0 40 EIAB O=C(CCc1nccs1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 78712914 KVOPVBBVYYPOLU-QGZVFWFLSA-N 339.464 4.311 0 40 EIAB Cc1ncsc1[C@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 78763855 SUGGJIAZXZROHT-HNNXBMFYSA-N 333.844 4.081 0 40 EIAB COc1ccc2nc(C)cc(C(=O)N3CCCc4ccccc43)c2c1 84083283 KYGYIWIFDJIWJZ-UHFFFAOYSA-N 332.403 4.145 0 40 EIAB O=C(Nc1ccc2c(c1)COC2)N[C@@H]1CCc2cc(Cl)ccc21 92164347 QJPHMMAODSGBEN-QGZVFWFLSA-N 328.799 4.179 0 40 EIAB CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@@H]2CCCc3ccccc32)C1 95376635 LESKDYXXNAAZAE-QFBILLFUSA-N 344.499 4.301 0 40 EIAB O=C(Cc1cccc(F)c1F)OCc1ncc(-c2ccc(F)cc2)o1 95410124 OQCZEFGRLCPXSF-UHFFFAOYSA-N 347.292 4.045 0 40 EIAB Cc1nc(C)c(-c2nn3c(-c4ccccc4Cl)nnc3s2)s1 95475661 ZADDFYYXJBWEOQ-UHFFFAOYSA-N 347.856 4.247 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=O)c2c(C(F)(F)F)ccnc2Cl)[C@@H]1C 95941713 BPKIMIYFOLDNPK-FXPVBKGRSA-N 334.769 4.308 0 40 EIAB c1cc(NCc2cccc3cn[nH]c23)cc(OCc2cscn2)c1 96482842 XIZNOUOXPUWZPP-UHFFFAOYSA-N 336.420 4.211 0 40 EIAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccccc1F 96759111 QZJWBHNORPNQAL-UKTHLTGXSA-N 326.396 4.158 0 40 EIAB Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 100419753 LBGWGGOCFXVPPL-FGZHOGPDSA-N 348.490 4.311 0 40 EIAB CCn1nccc1CCSc1nnc(-c2cc3ccccc3o2)o1 189478271 OFGGNWPTWXJTIP-UHFFFAOYSA-N 340.408 4.034 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccco1 216276459 WYYUYHQNPUJLCH-KRWDZBQOSA-N 347.480 4.103 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 218972417 CPIKSZUDJHFGKN-QAPCUYQASA-N 339.435 4.181 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1C 223499025 BJFCBBFHBYJZSV-KRWDZBQOSA-N 341.451 4.208 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1C 223499078 BJFCBBFHBYJZSV-QGZVFWFLSA-N 341.451 4.208 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)c1 223748831 AFORBOKQLJLWOM-UHFFFAOYSA-N 331.481 4.248 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223775846 YULNRTGJIGNJPF-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CCc1ccc(CC)c(CNC(=O)c2ccc(OC)c(Cl)c2)c1 224707981 MWQLJDXZGSFIPQ-UHFFFAOYSA-N 331.843 4.403 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 224738790 ZPQXBMAOIFBBOI-CYBMUJFWSA-N 344.842 4.050 0 40 EIAB CC(C)Sc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 224824819 PNBMRXGSRXQPTA-UHFFFAOYSA-N 328.850 4.336 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 225040071 PEMRKGLEJYVICD-OAHLLOKOSA-N 345.826 4.381 0 40 EIAB COc1cc(CNC(=S)Nc2cccc(F)c2)ccc1OC(C)C 225531094 YQGTVETUTIPJIF-UHFFFAOYSA-N 348.443 4.108 0 40 EIAB CCOc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225848546 HXINGAPTEWZZIB-UHFFFAOYSA-N 330.453 4.434 0 40 EIAB CCCCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225900787 KEWSYRCRBPPVQB-QRWLVFNGSA-N 348.487 4.493 0 40 EIAB Cc1nc(-c2ccccc2C(=O)O)cc([C@H]2CCCCN2C(C)C)n1 257332493 XXNKJZQZECMLMX-LJQANCHMSA-N 339.439 4.086 0 40 EIAB O=C(c1ccnc(-c2ccccc2)n1)N1CCCC[C@@H]1c1ccco1 1615589572 DOCUISXTYUASQW-QGZVFWFLSA-N 333.391 4.104 0 40 EIAB CC(C)Cn1ccc2c(C(=O)N3CCn4cccc4[C@@H]3C)cccc21 1624142022 WADMPZFZHWKBTL-INIZCTEOSA-N 335.451 4.316 0 40 EIAB Cc1ccsc1CCC(=O)N1CC2(CC(c3ccccc3)C2)C1 1889186288 AXGVYSNHNHFETH-UHFFFAOYSA-N 325.477 4.395 0 40 EIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1 52639 MQBBZKCWIDFMIQ-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc2ccccc2c1 58643 HFISQZUZIOXGAC-WQRHYEAKSA-N 344.326 4.093 0 40 EIAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccco3)o2)c(C)c1 107022 UZOIPHWBWYOTID-UHFFFAOYSA-N 328.393 4.230 0 40 EIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 1783092 FUGUGPASXODPKI-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB COc1ccc2[nH]c3c(NCCCc4ccccc4)ncnc3c2c1 2431965 IWBKHCFMCUDAMC-UHFFFAOYSA-N 332.407 4.164 0 40 EIAB CC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)coc2c1C 3171829 WBYOOJAIWSJEHV-UHFFFAOYSA-N 345.354 4.242 0 40 EIAB O=C(COc1cccc(Cl)c1Cl)Nc1ccc2c(c1)CCC2 3340180 MQRPMZUQJJIFBP-UHFFFAOYSA-N 336.218 4.500 0 40 EIAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1 3357179 JLEGDZVVNBCRQH-IBGZPJMESA-N 341.414 4.125 0 40 EIAB CCOc1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 3608296 RVMRLEPPMUHDAJ-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccc4)[C@H]3C=C12 4029299 PZPFREVHDDOFIN-XQSLOUTOSA-N 339.479 4.090 0 40 EIAB biogenic S=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccccc1 4059414 MYTFHYVBHDSQPT-LJQANCHMSA-N 333.460 4.290 0 40 EIAB COc1cccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)c1 4678359 DKYAXAQRFSFVFL-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB CCCCN(CCCC)S(=O)(=O)c1ccc(Br)cc1 5419581 KRQOUMWHFGGVCK-UHFFFAOYSA-N 348.306 4.040 0 40 EIAB O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@]2(N3CCCC3)CCCC[C@@H]12 5664712 WLUNTGWRRIECID-LXZKKBNFSA-N 342.266 4.402 0 40 EIAB COc1cc(C)c(NC(=O)/C=C/c2c(F)cccc2Cl)cc1OC 6789504 HNVRBNMYAXCLCV-BQYQJAHWSA-N 349.789 4.457 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C(F)(F)F)cc2)c1C 7007005 HRPYXCVUPDHMSS-UHFFFAOYSA-N 339.313 4.115 0 40 EIAB CCOc1ccc(C(C)=O)cc1COc1ccc(C(C)=O)cc1OC 7438414 BFXAKTPOXHNTQP-UHFFFAOYSA-N 342.391 4.078 0 40 EIAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1Cl 7605990 XMTBNGCJOWRBAV-QWHCGFSZSA-N 335.806 4.432 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc2cccnc12 8231317 MWCLPFSSKXFUHR-UHFFFAOYSA-N 328.774 4.300 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2ccccc2o1 8447894 XSOXPBKUVCJVQM-CYBMUJFWSA-N 326.421 4.140 0 40 EIAB Cc1ccc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1C 8573657 AJYFJXQKIYINKG-UHFFFAOYSA-N 325.433 4.163 0 40 EIAB C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccncc1 9118274 GMQZZFMALXHHSF-CQSZACIVSA-N 330.387 4.401 0 40 EIAB C1=Cn2nc(/C=C/c3c[nH]c4ccccc34)nc2-c2ccccc2O1 9698867 YYZMKJVWAVJTEO-MDZDMXLPSA-N 326.359 4.417 0 40 EIAB CCOc1ncccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 10215544 QPOJBWZCFHACGS-MRXNPFEDSA-N 330.815 4.015 0 40 EIAB CCc1cccc(CC)c1NC(=O)CCc1ccc2c(c1)OCO2 10412938 PVNYOELYBHSFHE-UHFFFAOYSA-N 325.408 4.111 0 40 EIAB O=C(c1ccc(CNc2nc3ccccc3o2)cc1)N1CCCCC1 12774897 XBAYHJOWEQEVQQ-UHFFFAOYSA-N 335.407 4.066 0 40 EIAB Cc1cn2c([nH]1)c(-c1nc3ccccc3s1)c(=O)c1ccccc12 12879244 KJHKRJMHMKJNME-UHFFFAOYSA-N 331.400 4.366 0 40 EIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1COc2ccccc2C1 12914857 QANUZEMOTZVIFQ-LLVKDONJSA-N 344.823 4.140 0 40 EIAB Cc1cccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 12999225 UVOWKQUDDFSOFY-IBGZPJMESA-N 340.423 4.285 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H]1CCc2ccccc21 13012275 YBHALEVCDQNCQM-INIZCTEOSA-N 340.473 4.218 0 40 EIAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)s1 13012391 HSWRZUMBPLTJSF-VIFPVBQESA-N 339.363 4.043 0 40 EIAB CSc1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1 13632497 RZCLDRBPFMVSJU-UHFFFAOYSA-N 327.515 4.047 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)n[nH]2)cc1 14348080 DGNWPLZOHDXNMJ-UHFFFAOYSA-N 343.430 4.315 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)COc1cccc2cccnc12 14737470 GZZWXQUDGKXEHP-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 15516997 QBROWFRTRYTENB-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB Cc1ccc(/C=C2/S[C@H](N3CCc4ccccc4C3)N=C2O)cc1 16996389 OFZPNSKIPYIDCU-YWFITGJYSA-N 336.460 4.381 0 40 EIAB Cc1cc(C)n(C(=S)Nc2ccc(Br)cc2Cl)n1 17071935 VJONJLKXKQIQDD-UHFFFAOYSA-N 344.665 4.161 0 40 EIAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(C)C)cc1 20613085 HCOPDOZYEIZDNO-UHFFFAOYSA-N 345.464 4.246 0 40 EIAB FC(F)(F)c1nc2nc(-c3ccco3)cc(-c3ccccc3)n2n1 20635840 PBONWYUXBBVWOZ-UHFFFAOYSA-N 330.269 4.070 0 40 EIAB CC(=O)Nc1cccc(-n2c(SCCC(C)C)nnc2C2CC2)c1 31620882 MAZGHRPTCMPNOY-UHFFFAOYSA-N 344.484 4.241 0 40 EIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCC1 31903966 HQXSVRWMMRFMJK-UHFFFAOYSA-N 339.501 4.093 0 40 EIAB CC(=O)c1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 32070184 WGXWHDNWMIZLLB-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB COc1ccc(F)cc1-c1csc(NC(=O)C2CCCCC2)n1 40111275 SRQHRFPBRHSAEE-UHFFFAOYSA-N 334.416 4.477 0 40 EIAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 48236899 HBDRSQDHBKFAQO-WMLDXEAASA-N 337.423 4.009 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](C)c4ccccc43)cn2)n1 48301655 DLPBJVIGLONSHA-CQSZACIVSA-N 346.434 4.038 0 40 EIAB COc1ncccc1NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 48415611 OXZWJZXVDFARSU-LBPRGKRZSA-N 325.368 4.061 0 40 EIAB Cc1nccn1-c1ccc(CNCc2cccc3ccccc23)cn1 48782242 VVZMWWJTPNMJIB-UHFFFAOYSA-N 328.419 4.019 0 40 EIAB Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](C)c2ccccn2)c(C)c1 54000377 AMWXIHPXRILWRX-KRWDZBQOSA-N 338.451 4.237 0 40 EIAB CSc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72216876 PVTYSBJXDGBWJZ-INIZCTEOSA-N 328.437 4.277 0 40 EIAB CC(C)(C)C1CCC(O)(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 78646886 JOHHTKYFFTVMDJ-PRXLTWQTSA-N 347.474 4.013 0 40 EIAB CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 78646889 JOHHTKYFFTVMDJ-CANSVUIHSA-N 347.474 4.013 0 40 EIAB Cc1nnc([C@H](C)Nc2cccc(COCCc3ccccc3)c2)o1 79030023 CCGLLASIIAPHNC-HNNXBMFYSA-N 337.423 4.310 0 40 EIAB CC(C)COC(=O)Nc1cccc(NCc2nnc(C(C)(C)C)o2)c1 86203617 IEIVFQQRUQBYNI-UHFFFAOYSA-N 346.431 4.184 0 40 EIAB CC(C)(C)c1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1 89694849 KHDYSHKWBGNHSU-UHFFFAOYSA-N 338.436 4.194 0 40 EIAB CC(C)(C)c1nc(CNc2ccccc2SCCC(N)=O)cs1 95429046 VCLVOAQKWLAUFC-UHFFFAOYSA-N 349.525 4.020 0 40 EIAB Cc1ccc2nc([C@@H]3CCCN(c4cc(Cl)nc(C)n4)C3)[nH]c2c1 95469174 BJSKCAGPAGDFTJ-CYBMUJFWSA-N 341.846 4.007 0 40 EIAB Brc1cc(Cn2ccc(C3CC3)n2)c2ncccc2c1 95974626 BBVLTGZFSYODIL-UHFFFAOYSA-N 328.213 4.120 0 40 EIAB CCSc1ccc(Cl)cc1C(=O)Nc1cccc(C(N)=O)c1C 96460075 VMFRVNTZIJBHRD-UHFFFAOYSA-N 348.855 4.112 0 40 EIAB C[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1ccncc1 96466961 DYVOLKWLEFEFHT-AWEZNQCLSA-N 327.403 4.046 0 40 EIAB COC(=O)/C(=C/c1ccc2c(c1)CCO2)c1nc(C(C)(C)C)cs1 97032049 AMFUQHJSMAFORA-GXDHUFHOSA-N 343.448 4.089 0 40 EIAB CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O 100288361 BGKHCLZFGPIKKU-JYYURTCRSA-N 336.472 4.280 0 40 EIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 100743779 BPTMEHZRBCEALN-OALUTQOASA-N 335.403 4.467 0 40 EIAB C[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3s2)CCC[C@H]1C 102181728 VJBKPCAJJMVXSS-AGIUHOORSA-N 334.510 4.329 0 40 EIAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)c2cc1Cl 102402909 OTYBHBHEFFGYPP-HUBLWGQQSA-N 344.794 4.010 0 40 EIAB C[C@H]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)N1Cc1ccccc1 169616739 WJXVFKYBSHGCGK-MUQADHOPSA-N 332.488 4.199 0 40 EIAB Cc1nscc1C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 179700634 AIHFUYZMZKMGLH-MRXNPFEDSA-N 342.464 4.109 0 40 EIAB O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1F 206825209 AGRPHLXHBLYDMN-UHFFFAOYSA-N 347.436 4.033 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222621934 JAPVZUMFEQQVKV-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB O=S(=O)(NCC1CCCCC1)c1ccc(Oc2ccccc2)cc1 224482065 AXIDAIOQLAAOSE-UHFFFAOYSA-N 345.464 4.338 0 40 EIAB CCOc1ccc(S(=O)(=O)N(CC)c2c(C)cc(C)cc2C)cc1 224598975 KJHXSEFSQPWTEM-UHFFFAOYSA-N 347.480 4.226 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225117892 AODBDYOPTXHULC-KRWDZBQOSA-N 334.799 4.040 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1cc(C)cc(C)c1C)C(=O)O 225118374 IOFVQUMTDGVNAE-LJQANCHMSA-N 328.408 4.004 0 40 EIAB CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 225642083 PIUXDGCUVKLBIA-HNNXBMFYSA-N 344.480 4.148 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1N 226267889 OGVGPYFIZAIRAI-UHFFFAOYSA-N 341.455 4.155 0 40 EIAB CN(CCc1nc(-c2ccccc2)no1)Cc1ccccc1Cl 512171323 WBKTZRDVMQLANF-UHFFFAOYSA-N 327.815 4.065 0 40 EIAB COc1ccc(OC2CCN(C(=O)C3(C4CCC4)CCC3)CC2)cc1 556599779 GICTXKCXCLSEIC-UHFFFAOYSA-N 343.467 4.035 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 575610898 QXIHSPUNPOSPOL-HNNXBMFYSA-N 343.473 4.248 0 40 EIAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1c(F)cccc1F 585146707 FGAKBTBBGAVSAH-NSHDSACASA-N 333.359 4.181 0 40 EIAB O=C(CCc1ccccc1F)NCc1ccc(-c2ccsc2)o1 618255584 FUWVZGWIWOLDMI-UHFFFAOYSA-N 329.396 4.396 0 40 EIAB O=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 125895 AJNJVWGYJMZHRW-UHFFFAOYSA-N 334.769 4.173 0 40 EIAB CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 303448 DASXMUXQEVFSOU-UHFFFAOYSA-N 346.253 4.419 0 40 EIAB Cc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 532838 ROMRXAMYUABFAP-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CC[C@H](Oc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 579800 XTSZFNRBCGRTQV-HNNXBMFYSA-N 340.379 4.284 0 40 EIAB c1ccc(OCCOc2ccc(C[C@@H]3CN4CCC3CC4)cc2)cc1 1900548 RNXDIOGUOAVZFX-HXUWFJFHSA-N 337.463 4.029 0 40 EIAB COCCCNc1nc(-c2cccc(Cl)c2)nc2ccccc12 1910699 SRUSZWDWERXECP-UHFFFAOYSA-N 327.815 4.399 0 40 EIAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 2468481 YWSXVZXLEJDLJP-MAUKXSAKSA-N 344.798 4.118 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2Cl)cc1 2618074 WUSIYPXOPWTDFE-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1Cl)c1ccccc1 3216380 BWCDHVUAYWSRRI-HNNXBMFYSA-N 345.826 4.324 0 40 EIAB Cc1csc(NC(=O)c2cc(Br)ccc2Cl)n1 3353830 PITYTPXURJJELY-UHFFFAOYSA-N 331.622 4.120 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 4033290 IAUVGDKPUHBXQI-INIZCTEOSA-N 333.435 4.194 0 40 EIAB COc1cc2nc(NC(=O)c3cccc(Cl)c3)sc2cc1OC 4479896 FHOPIHRTWAZNRO-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB O[C@H]1c2c(ccc3ccccc23)CC[C@H]1[C@H]1NCCc2ccccc21 4913972 NXHJGRJQTMOMRC-ACIOBRDBSA-N 329.443 4.323 0 40 EIAB CN(C)CCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 5342171 SKSYBHXULRJCPY-MRCUWXFGSA-N 337.492 4.401 0 40 EIAB Fc1ccccc1OCc1nnc(-c2ccccc2Br)o1 6128384 MIEBIAIYDBWZAG-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)C(c1ccccc1)c1ccccc1 6599671 JBSIKKAYOFKUEK-HXUWFJFHSA-N 343.426 4.459 0 40 EIAB O=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl 7595807 VCBSXEVQNOIECQ-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB Fc1ccc(-c2noc(CSc3ncnc4ccsc34)n2)cc1 9048909 ANUREODZTPHJMU-UHFFFAOYSA-N 344.396 4.173 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC 9894961 XRQMQPGFHHTUSP-IYPOZPNPSA-N 337.419 4.081 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2sccc2C1 10924349 PQBLISYBEHAKMI-UHFFFAOYSA-N 340.473 4.379 0 40 EIAB CCOc1ccc(CNC(=S)Nc2ccccc2F)cc1OCC 13754893 BWENXMGQYQETPK-UHFFFAOYSA-N 348.443 4.110 0 40 EIAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(O)cc3)cs2)cc1 14103246 ZEBKVPOOJIJXSX-UHFFFAOYSA-N 338.432 4.259 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1 14141344 RENJNFBABOTIFY-CYBMUJFWSA-N 340.423 4.369 0 40 EIAB Cc1cc(C(=O)COc2cccc(Cl)c2)c(C)n1-c1nccs1 14216024 QBNDBRMRJOBDGH-UHFFFAOYSA-N 346.839 4.466 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1 14258472 GOAFMYGXWRBPQQ-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB COc1ccc(-c2noc(CN(C)[C@@H]3CCCc4ccccc43)n2)cc1 15291819 JLOJDWVOPZPJKU-LJQANCHMSA-N 349.434 4.255 0 40 EIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1 15577778 ITKFKMFFWAPVCN-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB Cc1n(Cc2ccc(Cl)cc2Cl)cc[n+]1Cc1ccccc1 17022436 KCIJLECVMSCRMX-UHFFFAOYSA-N 332.254 4.487 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccccc1OC 20456070 FQLPTBVGKJFWCH-GOSISDBHSA-N 341.451 4.128 0 40 EIAB CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CCS2 22512239 OKRDGRNNYDBZNS-ZDUSSCGKSA-N 334.485 4.066 0 40 EIAB Cc1oc(C)c(C(=O)N[C@@H](C)c2ccccc2Br)c1C 24352493 GCSOGXLIWVYVMT-JTQLQIEISA-N 336.229 4.458 0 40 EIAB COc1ccc([C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C(C)C)cc1 24770041 ZEULAEKPXJTGQA-FQEVSTJZSA-N 349.434 4.008 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 25073744 ZJGBGIAKCQMRIW-UHFFFAOYSA-N 339.782 4.185 0 40 EIAB CN(C)[C@H](CNC(=O)C1CCC(C(C)(C)C)CC1)c1ccsc1 25330189 ZUQKESBJUAYBAI-BDVYOWHSSA-N 336.545 4.320 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@@H](c2c(F)cccc2F)C1 31820874 IBSFVWYFTFUKJH-GFCCVEGCSA-N 325.318 4.274 0 40 EIAB CCc1nnsc1N(Cc1ccccc1)c1ccc(OC)cc1 32611836 GUOQQHBOBVAZHI-UHFFFAOYSA-N 325.437 4.447 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 32895451 HABUSLUWIISPGD-WFASDCNBSA-N 344.377 4.006 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1ccc(Cn2ccnc2)cc1 38856256 DVPXVKUEPZHWAS-UHFFFAOYSA-N 333.435 4.309 0 40 EIAB CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38857556 RGMLONITCGIAIN-CQSZACIVSA-N 343.298 4.122 0 40 EIAB Brc1cc(-c2ccccc2)ccc1OC[C@@H]1CCCNC1 42774744 ATPAZUVNAOIACA-CQSZACIVSA-N 346.268 4.495 0 40 EIAB c1csc(CN(Cc2cccc3cccnc23)C[C@H]2CCCO2)c1 55527839 GHBSLMGTYVRKPV-GOSISDBHSA-N 338.476 4.478 0 40 EIAB COc1cc(NC(=O)c2cnc(-c3ccccc3)s2)cc(OC)c1 58052155 IKHOMTDEUIUOKL-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB CCN(Cc1ccco1)C(=O)c1csc(-c2ccccc2F)n1 58159064 VCYXXORDUKOASX-UHFFFAOYSA-N 330.384 4.205 0 40 EIAB CC[C@@H](C)Nc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72213577 DYFLAPOKGGZJSL-CQSZACIVSA-N 349.475 4.170 0 40 EIAB CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215488 XMQJTXCRSZMVET-MRXNPFEDSA-N 331.460 4.142 0 40 EIAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccnc1 72230022 RNEHYBJHBKKQTA-GOSISDBHSA-N 338.794 4.069 0 40 EIAB CCN(Cc1ccccc1NC(=O)Nc1cccc(C)c1C)C(C)=O 72282531 MZIPVFWFUXORJG-UHFFFAOYSA-N 339.439 4.316 0 40 EIAB C[S@@](=O)Cc1cc(NC(=O)CCC2CCCC2)ccc1Cl 79361162 NMJMQVXMOWGIHJ-NRFANRHFSA-N 327.877 4.127 0 40 EIAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1ncc(-c2ccccc2)o1 84667932 VTZVBKNNKOTWDZ-ZDUSSCGKSA-N 333.391 4.399 0 40 EIAB CC(C)n1cc(C(=O)Nc2ccc3c(c2)ncn3C)c2ccccc21 96222946 PCNNMBVSGPISND-UHFFFAOYSA-N 332.407 4.361 0 40 EIAB CC1(C)Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccco3)cc2O1 96407954 PTHNNCOBLAGOJQ-CYBMUJFWSA-N 328.368 4.156 0 40 EIAB CSCc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 96461736 HHWHIWYXPAXCMJ-OAHLLOKOSA-N 330.457 4.032 0 40 EIAB Cc1nnc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)s1 97057267 RDXPDTHMXCTUOQ-JTQLQIEISA-N 330.482 4.129 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CCSc2ccccc2)c1 113934894 JHFDUXGBPFNFLA-UHFFFAOYSA-N 329.465 4.272 0 40 EIAB CN(C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926853 KIVXGCJMIWJWBX-GDLCRWSOSA-N 345.527 4.421 0 40 EIAB CC1=NC[C@]23CC(=O)[C@H]4[C@@H](CC[C@@]5(C)C[C@@H](O)CC[C@]45C)[C@@H]2CC[C@H]13 118936325 VHGQZHONFLYAGQ-BQMNZTCBSA-N 343.511 4.030 0 40 EIAB O=C(/C=C/c1cccs1)N1CCS[C@H](c2ccccc2)CC1 211139498 PSYBIAYMDHEIDT-IJDCCNJMSA-N 329.490 4.468 0 40 EIAB Cc1ccccc1CSCC(=O)NCCOc1ccccc1Cl 223397211 MZUGORLXBRSKLE-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1ccccc1O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225084747 MWAMUOZYSYZZQB-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NC(C(C)C)C(C)C)c1C 225327825 BVLWTKZGVRALPF-UHFFFAOYSA-N 336.501 4.139 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccncc2)cc1 225502002 OYVLFMDHRPOBPU-KRWDZBQOSA-N 329.469 4.164 0 40 EIAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225596796 RMXAQTRRXLBZSY-QGZVFWFLSA-N 344.499 4.316 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C 225651493 FSZKJSXQKKSJMO-KRWDZBQOSA-N 325.452 4.430 0 40 EIAB C[C@H](O)c1ccc(CCNC(=O)C2(c3cccs3)CCCC2)s1 225687517 UEPCXZHYQZFOAA-ZDUSSCGKSA-N 349.521 4.034 0 40 EIAB CC1CCN(c2c(Br)cc(N)cc2Br)CC1 226316555 HOCWMXCQZTXAQT-UHFFFAOYSA-N 348.082 4.030 0 40 EIAB COC(=O)c1ccc(CSc2ncc(-c3ccccc3)o2)cc1 226795015 SCKHIKCWYKZCTA-UHFFFAOYSA-N 325.389 4.421 0 40 EIAB CC1(C)CN(C(=O)CCCC2CCOCC2)CC[C@@H]1C(F)(F)F 252502134 UMXLWQLDRQQVDZ-AWEZNQCLSA-N 335.410 4.020 0 40 EIAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(F)cc1Cl 670902948 WCXHQEUWSKBIPU-UHFFFAOYSA-N 333.746 4.227 0 40 EIAB O=C(O)Cc1c(-c2cc3ccccc3o2)oc2cc3c(cc12)OCO3 1547138231 CJPFRWVGWXQGJA-UHFFFAOYSA-N 336.299 4.202 0 40 EIAB biogenic COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1F 1547212436 WTSXUVVTOOANMS-KRWDZBQOSA-N 343.398 4.443 0 40 EIAB Cc1ccc(OCC(=O)Oc2ccc(Br)cc2C)cc1 38528 YGELOXHZLOYQQC-UHFFFAOYSA-N 335.197 4.050 0 40 EIAB O=Cc1ccc2oc(C(=O)c3ccc(Br)cc3)cc2c1 163449 CXNIVXNXALFJFS-UHFFFAOYSA-N 329.149 4.239 0 40 EIAB CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 377474 LKLCOPYQBFEPMS-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 386250 HRLFEWOQSNSEPK-UHFFFAOYSA-N 329.705 4.376 0 40 EIAB COc1ccccc1-c1cc(=O)c2cc(Br)ccc2o1 522055 GLMVAEWDKUOAKQ-UHFFFAOYSA-N 331.165 4.231 0 40 EIAB biogenic Cc1cccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 571938 QNWHCXIIFPJHDE-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1CC)C2 1369849 XHKJFAGFDOQHKH-QZTJIDSGSA-N 345.556 4.331 0 40 EIAB Cc1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1411893 APSWCLAMRIMHSE-FQEVSTJZSA-N 346.455 4.339 0 40 EIAB COC(=O)/C(=C1/Oc2ccc(C(C)(C)C)cc2S1)C(F)(F)F 2372846 LZCMVWMVDAPPAT-ACCUITESSA-N 332.343 4.416 0 40 EIAB Cc1cccc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)c1 2794801 GPKPSRSHLBWZBK-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1cccs1 2888836 ZRAFDJUFNWCVER-UHFFFAOYSA-N 338.340 4.334 0 40 EIAB biogenic,in-vitro CC(C)(C)c1ccc(OC(F)(F)C(=O)NC2CCCCC2)cc1 3116786 MPNDOUBWPREVRA-UHFFFAOYSA-N 325.399 4.405 0 40 EIAB CC(C)=CC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 3329555 RWNBUWMWNDGBMS-UHFFFAOYSA-N 341.432 4.286 0 40 EIAB Cc1ccc(COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 3433092 UYVPYFZCGZOZQO-UHFFFAOYSA-N 335.359 4.197 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3560997 YKJPXDLPAQTTMK-BJMVGYQFSA-N 337.297 4.246 0 40 EIAB CCn1c2ccccc2c2nnc(SCc3ccc(F)cc3)nc21 4509986 MHDLYOYAZWQOPR-UHFFFAOYSA-N 338.411 4.431 0 40 EIAB CCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 4684073 RWQXCROPEVOBED-IRXDYDNUSA-N 326.477 4.397 0 40 EIAB Cc1cccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)c1 4688154 XFUPANYQJACQCG-ZDLGFXPLSA-N 348.427 4.322 0 40 EIAB Cn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1Cl 4776900 WOLGRZBOOIZQQN-UHFFFAOYSA-N 347.846 4.491 0 40 EIAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 4912052 NDCBMQWFBWYBLK-CYBMUJFWSA-N 329.396 4.176 0 40 EIAB aggregator NNc1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12 5347150 JRAXFOCVZNOZCC-UHFFFAOYSA-N 335.798 4.002 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccco2)c1 6371656 UASWISCYGSKCCT-UHFFFAOYSA-N 347.480 4.140 0 40 EIAB c1ccc(Nc2nnc(SCc3cn4ccccc4n3)s2)cc1 6465847 OWCKHFQAFAHACX-UHFFFAOYSA-N 339.449 4.222 0 40 EIAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)S[C@H](C)C(=O)N2 6678479 NNCLPCHDRRAINK-KRTXAFLBSA-N 342.251 4.188 0 40 EIAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccccc4)nc3c12 6758845 VLUODCQZLOURDE-UHFFFAOYSA-N 343.390 4.004 0 40 EIAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)cc1 6811269 QYJVECYOVCCACC-UHFFFAOYSA-N 337.375 4.006 0 40 EIAB COc1ccc(C2=Nc3ccccc3C(c3ccc(F)cc3)=NN2)cc1 6973420 YDRCPFXQGJOMTB-UHFFFAOYSA-N 345.377 4.268 0 40 EIAB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 7382806 WFOYNDOXVQAKLC-JTQLQIEISA-N 326.293 4.284 0 40 EIAB Clc1cc2c(c(CSc3ncnc4ccccc34)c1)OCOC2 8189570 CWEAATZBNKZTAQ-UHFFFAOYSA-N 344.823 4.442 0 40 EIAB CC(C)C[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 9115216 USQVAQQIISBGFI-INIZCTEOSA-N 327.453 4.071 0 40 EIAB Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2ccco2)c1 9204700 PQCUTKWYLUGXCV-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB COC(=O)c1ccccc1NC(=O)c1cc(Cl)sc1Cl 9614064 FMFNPPZHBAGFTA-UHFFFAOYSA-N 330.192 4.094 0 40 EIAB CCOc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 9816256 YGFKSUYYCBDJDS-UHFFFAOYSA-N 333.815 4.373 0 40 EIAB COc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 10041308 NLNCAWMGVXXNQW-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1C 10442106 SFXYXRQECVTMGO-UHFFFAOYSA-N 343.448 4.211 0 40 EIAB Cc1cs/c(=N\C(=O)c2ccccc2)n1-c1ccc(Cl)cc1 12524002 GWXSKTHINUJHAE-ZPHPHTNESA-N 328.824 4.242 0 40 EIAB Cc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 12761399 DXAAPWOZEKNUAE-VQFGERMISA-N 349.430 4.143 0 40 EIAB O=C(NCC1CC1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 12972397 IWPWPYLCCLMSEZ-INIZCTEOSA-N 339.464 4.071 0 40 EIAB CSc1nc(C)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)s1 13003074 WZQPYFBVWPRJRW-UHFFFAOYSA-N 346.399 4.373 0 40 EIAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1Cl 13040456 MFENUOABXVUFCW-UHFFFAOYSA-N 341.213 4.203 0 40 EIAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1 13758894 OPIHQACYMWQSGA-UHFFFAOYSA-N 348.446 4.279 0 40 EIAB Cc1ccc(OCCCC(=O)NCCSc2ccc(C)cc2)cc1 14396235 XGGYAUAQMKNKCD-UHFFFAOYSA-N 343.492 4.371 0 40 EIAB Cc1ccc(CSCCNC(=S)Nc2ccc(F)cc2)cc1 18145673 YHWKUGQFXBRZFP-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB O=C(O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Cl 18195669 NICRPTZJCNKIGC-UHFFFAOYSA-N 343.810 4.489 0 40 EIAB Cc1ccc(-c2cnn3c(O)cc(-c4sc(C)nc4C)nc23)cc1 19212975 IWZDNESVFVSYAM-UHFFFAOYSA-N 336.420 4.151 0 40 EIAB Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 19923736 PDMCIHTVVSQTPI-UHFFFAOYSA-N 347.821 4.142 0 40 EIAB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20025570 TVUZINHPDOPZAM-UHFFFAOYSA-N 327.277 4.414 0 40 EIAB CCc1cccc(CC)c1NC(=O)Cc1cc(OC)ccc1OC 20447900 VZSVYZHOVXDUBB-UHFFFAOYSA-N 327.424 4.010 0 40 EIAB O=C(c1ccccc1F)N1CCCC[C@@H]1CCN1CCCCCC1 21170919 UYAYCYGSGNDPHU-QGZVFWFLSA-N 332.463 4.087 0 40 EIAB O=C(NCCSCc1ccsc1)C12CC3CC(CC(C3)C1)C2 21963016 YPAGQAZHJWKKDS-UHFFFAOYSA-N 335.538 4.314 0 40 EIAB Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cn1 22458552 NDYXVZUBWAASQF-UHFFFAOYSA-N 330.431 4.342 0 40 EIAB CSCc1nnc(SCc2csc(-c3ccsc3)n2)o1 22988874 FSWSTGNCKCZZBM-UHFFFAOYSA-N 341.508 4.410 0 40 EIAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCc2ccccc2C1 23136541 CYODPEDOTXLJHS-UHFFFAOYSA-N 349.459 4.014 0 40 EIAB O=C(/C=C/c1cccnc1)Nc1cccc(C#Cc2cccs2)c1 25754768 CEOSVYPFHDZOLH-PKNBQFBNSA-N 330.412 4.195 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 30011838 NSLBGVINWAAEQB-LBPRGKRZSA-N 337.810 4.322 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(F)cccc1F 30856265 FHFXQTYGBUDZPO-CYBMUJFWSA-N 325.742 4.414 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 30872055 RDHJKHUCFQPPRS-HZPDHXFCSA-N 327.424 4.038 0 40 EIAB Cc1cccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c1C 33632665 RQXSNMYKXPBPMS-UHFFFAOYSA-N 341.835 4.062 0 40 EIAB CC(C)(CNC(=O)C[C@@H]1C=CCC1)c1ccc(Br)cc1 36394015 AFIWGSDYIXVLPQ-CYBMUJFWSA-N 336.273 4.199 0 40 EIAB C[C@@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2)c1 40074721 HNTRILKAWHLJRI-INIZCTEOSA-N 335.403 4.220 0 40 EIAB Cc1ccc(-c2csc3nc(-c4cccc(O)c4)[nH]c(=O)c23)s1 55491118 CTVRDUFAQZSPQJ-UHFFFAOYSA-N 340.429 4.394 0 40 EIAB CN(Cc1ccccc1)c1ccc(NC(=O)NCc2ccncc2)cc1 56679542 QBTRMXPHCVJQHM-UHFFFAOYSA-N 346.434 4.040 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C 58327071 HACZHFWEGWXYGL-HOCLYGCPSA-N 325.412 4.222 0 40 EIAB C[C@@H]1C(=O)CCN(CC(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 61931297 GIHFVUHAZSIUAO-QRQCRPRQSA-N 346.430 4.003 0 40 EIAB Cc1cccc2[nH]cc(C(=O)CN3CC=C(c4ccc(O)cc4)CC3)c12 65588198 BLGQUZXCJYBTQS-UHFFFAOYSA-N 346.430 4.154 0 40 EIAB CN(C)CCc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1 69739488 OMMGTRYENPJJPR-UHFFFAOYSA-N 343.496 4.049 0 40 EIAB CC(=O)Nc1ccc(C)c(NC(=O)c2ccc3[nH]c(=S)oc3c2)c1 71911635 GFJYBDAOPRKCCK-UHFFFAOYSA-N 341.392 4.010 0 40 EIAB Cc1cccc2sc(NC(=O)c3cnc([C@@H]4CCCO4)s3)nc12 89642817 DEKNKPPJVUMCAO-JTQLQIEISA-N 345.449 4.165 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)OCC(F)(F)F 89887947 QXNCBORBVVAPAS-VIFPVBQESA-N 339.741 4.033 0 40 EIAB CN(Cc1cnc(-c2cccs2)s1)Cc1cc(Cl)cn1C 91931113 ZIUZGCACZAXIIP-UHFFFAOYSA-N 337.901 4.496 0 40 EIAB CC(C)n1ccc2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)ccc21 95475755 IKJLIGUZOIAARE-NRFANRHFSA-N 348.446 4.436 0 40 EIAB O=C(c1cccc(F)c1)N1CCC2(CC1)CNc1ccc(Cl)cc12 96088551 SXJPWERKQRADCL-UHFFFAOYSA-N 344.817 4.079 0 40 EIAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)C1CC1 96124421 BPSGDZPEFJUZKP-UHFFFAOYSA-N 336.420 4.297 0 40 EIAB O=C(c1cccs1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261333 KITQWVQRSCDDMH-ZWKOTPCHSA-N 341.476 4.001 0 40 EIAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(-n2cccn2)cc1 96404402 GHFRTVPTTFNEIR-QKFKETGDSA-N 328.412 4.021 0 40 EIAB COC[C@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 96417957 YVZVFFUGFRNPMH-AWEZNQCLSA-N 334.485 4.222 0 40 EIAB CC[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1ccc(OC)cc1 98024521 JGUMRJAILQXRDC-IBGZPJMESA-N 344.430 4.170 0 40 EIAB COc1ccc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2O)cc1 100139172 CXHPCXWSNPNLFM-UHFFFAOYSA-N 328.799 4.139 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(C2SCCS2)c1 108653669 JVRCUUKLTOTNGQ-UHFFFAOYSA-N 334.470 4.149 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 108870011 IFRSYECQIYCSLQ-OWTLIXCDSA-N 342.266 4.313 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@H]1[C@@H]2C 109013462 ABFSDSQOZYJGJO-BHSWOKAISA-N 347.455 4.320 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 219055407 UKYNVTOFQWKXJY-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223201002 FTDMFOCMHBWQBC-CYBMUJFWSA-N 349.883 4.009 0 40 EIAB CCOc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225107844 QLZUIARCHQSEHB-IBGZPJMESA-N 328.408 4.085 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccnc2)cc1 225501918 BBHPEVJVENBUBB-KRWDZBQOSA-N 329.469 4.164 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccccc1OC 225733473 DLHYBERKIHCQMT-APWZRJJASA-N 341.451 4.347 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2)cc1 225774029 IWZIXVBXPSVCFM-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1ccc(OC)c(C)c1 225827035 PJISRODRDFLMEQ-GOSISDBHSA-N 341.451 4.267 0 40 EIAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900342 PPLRWFDGTGDDCF-KUHUBIRLSA-N 334.460 4.103 0 40 EIAB Cc1cccc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)oc12 226034794 VNCSJTFTAYVKTN-UHFFFAOYSA-N 331.730 4.146 0 40 EIAB CCCCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1C(C)C 231431599 ATDMSYDIOBAHDB-UHFFFAOYSA-N 348.468 4.185 0 40 EIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1CCCO1 543445839 GIHYCTHLWNBGFA-UHFFFAOYSA-N 338.382 4.071 0 40 EIAB CCC[C@@H](NC(=O)c1cc(O)nc(C(C)C)c1)c1ccc(F)cc1F 1518022418 FXPZILHYHCNKJH-MRXNPFEDSA-N 348.393 4.460 0 40 EIAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CC(OC(C)C)C1 1615582319 WHLXATDNJBTKPU-GTPINHCMSA-N 332.488 4.137 0 40 EIAB Oc1cccc(CNCCc2ccccc2OC(F)(F)F)c1Cl 1657556218 HWWXDUOZJGNFDO-UHFFFAOYSA-N 345.748 4.277 0 40 EIAB COc1cc(C(=O)Oc2cc(C)ccc2C(C)C)cc(OC)c1OC 38460 NEFINPNMAWNQLW-UHFFFAOYSA-N 344.407 4.363 0 40 EIAB O=C(/C=C/c1ccco1)Oc1ccc(Cl)cc1Br 511595 LBZMBJYIRXLSMX-GQCTYLIASA-N 327.561 4.314 0 40 EIAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C 798583 VQJZGIHARZUUSX-UHFFFAOYSA-N 330.387 4.056 0 40 EIAB CCCN(C(=O)C1CCC1)c1nnc(-c2ccc(OCC)cc2)s1 1345556 VZUOCJHJGCPVLU-UHFFFAOYSA-N 345.468 4.147 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(C)c1)C2 1369844 RNYHLENKICCIME-ROUUACIJSA-N 331.529 4.077 0 40 EIAB Cc1cc(C)nc(OC(=O)c2c(Cl)cc(Cl)cc2Cl)n1 1388258 KKBQYZLXJKYKLF-UHFFFAOYSA-N 331.586 4.273 0 40 EIAB CCN(CC)C(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1 2404954 ROSLNPJUCFEATA-UHFFFAOYSA-N 335.407 4.194 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 3223289 NYMJVSHKKNVHNP-VNDWYCCKSA-N 343.448 4.457 0 40 EIAB COc1ccc(OCCCC(=O)Nc2cccc(SC)c2)cc1 3548758 BHINIAVOJOVTLD-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 4031559 IZKQGHFQMVAECX-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4ccc(C)c(C)c4)ncnc32)cc1 4322995 VYNQNSRIAHXPSP-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Oc2cccc3ccc(C)nc23)c(C)c1 4797739 XEIYIGXRNSZMEV-UHFFFAOYSA-N 341.432 4.236 0 40 EIAB O=C(Oc1ccccc1-c1nc2ccccc2c(=O)o1)c1ccccc1 5772658 KYEYZVKPHZDUEA-UHFFFAOYSA-N 343.338 4.074 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(N)cc3s2)c1 5935512 FKPGVYFVUFSDSV-UHFFFAOYSA-N 343.477 4.226 0 40 EIAB CSCCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 6510147 NGNMSMKKAZKHJV-UHFFFAOYSA-N 331.510 4.470 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccccc1Cl 6543490 TWPGOMNMDQCQFE-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB Cc1ccc2c(CSCc3c(C)noc3C)cc(=O)oc2c1C 6784861 YRVAWGKXDHEXQE-UHFFFAOYSA-N 329.421 4.448 0 40 EIAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(Cl)cc1Cl 7278451 RGLRKWOUEANJIM-UHFFFAOYSA-N 327.211 4.343 0 40 EIAB Cc1cc(/C=C/C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1C1CC1 7312734 ZUKPZJHGTRHICE-QPGLYAHGSA-N 336.435 4.093 0 40 EIAB CCn1c(SC[C@@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 7990401 BNTVGRMWOWELJB-AWEZNQCLSA-N 337.876 4.280 0 40 EIAB CCC(C)(C)N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 8132463 KDJQXSULVABSQQ-IBGZPJMESA-N 340.467 4.462 0 40 EIAB c1cc(-c2nc(CSc3nnnn3C3CCCC3)cs2)cs1 9314383 KOILIBMRUGPXRN-UHFFFAOYSA-N 349.510 4.266 0 40 EIAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2)CSC3)c(C)c1 9347231 LJQZFFYTZPXCTL-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB Fc1ccc(F)c(-c2nnc(S)n2-c2cccc3ncccc23)c1 9420638 YCPSZIVBQGZIJQ-UHFFFAOYSA-N 340.358 4.049 0 40 EIAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)c(C)c1 9888514 YWSORSDXQNJPHI-UHFFFAOYSA-N 338.234 4.419 0 40 EIAB Cc1ccc(OCc2nnc3sc(-c4cccc(C)c4)nn23)cc1 10311948 NFSJBOZGCSPFQY-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB CCc1ccccc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 12771254 ILDWPXFALKYSKY-SDNWHVSQSA-N 334.419 4.028 0 40 EIAB CCc1ncc([C@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 13281778 ZGLZHMPMIUHKKJ-HXUWFJFHSA-N 340.854 4.403 0 40 EIAB CCc1ccc(OCc2nnc(S)n2-c2cc(C)ccc2C)cc1 13535541 UZPJQSLMUKCDDO-UHFFFAOYSA-N 339.464 4.314 0 40 EIAB Cc1cc(C)c2cc(CNCc3ccc(Cl)cc3)c(=O)[nH]c2c1 13998444 AHSGBVRSCLMAKI-UHFFFAOYSA-N 326.827 4.088 0 40 EIAB CCOc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 15363606 PKPNJBKUHJVSFL-GFCCVEGCSA-N 349.814 4.153 0 40 EIAB CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)Cc2ccsc2)cc1 15370668 HYYOJYIKLANYCP-INIZCTEOSA-N 344.524 4.256 0 40 EIAB Cc1cccc(Cn2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2=O)c1 15883090 KRJFGPNYLYUMAE-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccccc1OC 15967089 ZOCQWVJUDVCLEN-AWEZNQCLSA-N 335.403 4.348 0 40 EIAB CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1 17112569 NUSUERFMHJRZTQ-UHFFFAOYSA-N 334.822 4.253 0 40 EIAB CC1CCN(Cc2nnc(SCc3ccc(Cl)cc3)o2)CC1 19897551 SAOORLCUAVCGJZ-UHFFFAOYSA-N 337.876 4.247 0 40 EIAB CCSc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 20460361 YURHCNWZASQNKD-UHFFFAOYSA-N 345.464 4.387 0 40 EIAB CCc1cccc(C)c1NC(=O)c1cn(CC)c2ccc(C)cc2c1=O 22234624 UMGGIMRBDHQZTI-UHFFFAOYSA-N 348.446 4.453 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1ccccc1C(C)(C)C 23530628 BVZKRKOKALEQMT-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)cc1 25041968 WIOJZBOOPOZHJF-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cnc2ccccc2c1 25157152 SVFPAVGOACPLSO-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 25535111 QZUZJBNCRISVOC-LJQANCHMSA-N 339.410 4.461 0 40 EIAB CCOCc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OC 26621668 WEDSUFPILHXKOV-ZDUSSCGKSA-N 347.842 4.376 0 40 EIAB CC(C)(C)c1nc(CSc2nccn2-c2cccc(Cl)c2)no1 28013563 YOSBRCNVDATHPU-UHFFFAOYSA-N 348.859 4.499 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 28910098 IMLOLQXFLYJOIE-ZDUSSCGKSA-N 337.341 4.098 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1 30756453 GIFQCSDIVFUAFL-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C 31073693 NUCDAUJKXVEABC-IAGOWNOFSA-N 342.483 4.392 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1cccc(OC[C@@H]2CCCO2)c1 32903164 SZTWKHPXDXNOKE-SFHVURJKSA-N 348.402 4.045 0 40 EIAB Cc1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 33326220 KSBRGFWAGRCFOO-UHFFFAOYSA-N 338.432 4.212 0 40 EIAB CCn1ncc(-c2cc(C(F)F)nc(N(C(C)C)C(C)C)n2)c1C 36613818 QVRVBPSLMMJUHU-UHFFFAOYSA-N 337.418 4.229 0 40 EIAB O=C(CCc1ccc(Cl)cc1)N(Cc1ccc(O)cc1)C1CC1 40119666 BWFNVLKJDNBIQK-UHFFFAOYSA-N 329.827 4.169 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1cccc(CN2CCCC2)c1 43211179 PMCRXLOCZBZYQX-UHFFFAOYSA-N 345.483 4.369 0 40 EIAB C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 43735376 AOYBIWCQSGSYJF-OMQSBVIBSA-N 328.452 4.037 0 40 EIAB COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccccc1 49546954 KVWYQQULIGCKPG-MRXNPFEDSA-N 333.391 4.064 0 40 EIAB Cc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)oc1C 49983360 PSBYMPXBHVICHQ-UHFFFAOYSA-N 345.830 4.466 0 40 EIAB COc1ccc(N)cc1NC(=O)C(c1ccccc1)c1ccccc1 57340383 QHFKHCLJGJNIPF-UHFFFAOYSA-N 332.403 4.048 0 40 EIAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1cccnc1 60976518 GXOJCLHFMSQALL-UHFFFAOYSA-N 345.402 4.005 0 40 EIAB O=C(C=C1CCCCC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 64962713 YKKXUDHDORHXLD-IBGZPJMESA-N 331.431 4.224 0 40 EIAB O=C(CCc1ccccc1O)Nc1nc2c(s1)CCCCCC2 65490717 QEPMGIBWXSYALE-UHFFFAOYSA-N 330.453 4.079 0 40 EIAB O=C(/C=C/c1cscn1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 69977498 RARGQXHACMDERH-BLGFXRMMSA-N 337.448 4.391 0 40 EIAB O=C(NCc1nc2ccccc2s1)[C@@H]1SCCc2sccc21 79432004 XUBVSDICSYAGBT-OAHLLOKOSA-N 346.502 4.005 0 40 EIAB O=C(NCC[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 81252606 OWNPQFBLWPQCQI-OAQYLSRUSA-N 345.442 4.058 0 40 EIAB O=C(CC/C=C/c1ccccc1)N1CCC[C@H]1c1noc(C2CC2)n1 84515210 IFKSUCLGYUSIHK-QVNOTHCHSA-N 337.423 4.104 0 40 EIAB Cc1nc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)oc1C 95409036 SJXWMJKZAPVNJE-GOSISDBHSA-N 339.439 4.043 0 40 EIAB Cc1ccc(NCc2cccc3cn[nH]c23)cc1NC(=O)C(C)(C)C 96482880 NAXWKJUEMKVJMP-UHFFFAOYSA-N 336.439 4.468 0 40 EIAB Cc1ncccc1N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F 97038299 KYYGJTHCRHILJW-NSHDSACASA-N 337.345 4.238 0 40 EIAB Cc1ncc(CSc2nc(O)c(C)c(-c3ccccc3)n2)s1 97094737 SMMWEZIBFZAVJG-UHFFFAOYSA-N 329.450 4.215 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)s1 102159480 PBYPVETUPWMGKO-VHDGCEQUSA-N 338.469 4.217 0 40 EIAB C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)C[C@H]1C 102947803 RPFFOOSNJXMCPE-YRGRVCCFSA-N 339.382 4.051 0 40 EIAB Cc1ccccc1[C@H]1CCN(C(=O)Cc2ccccc2F)CCS1 219288195 SFJZSHOOPHJJKE-LJQANCHMSA-N 343.467 4.383 0 40 EIAB Fc1ccc(NC(=S)NCCOc2cccc3ccccc23)cc1 223577802 JJGBASVOEVADMQ-UHFFFAOYSA-N 340.423 4.344 0 40 EIAB Cc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1C 225051895 JENQCANIMGIYNC-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cccc(C(F)(F)F)c1 225429551 AWNAQSPQCAUTHI-UHFFFAOYSA-N 349.356 4.267 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCCOC)cc2)CCC(C)CC1 225669319 HWUOREIKOPZBPV-UHFFFAOYSA-N 349.471 4.026 0 40 EIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccc1F 408628100 TZQPIBCJUBCOMV-UHFFFAOYSA-N 341.407 4.221 0 40 EIAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2)c1 408848089 WXMPLFHKZUKJRB-HMMYKYKNSA-N 339.398 4.225 0 40 EIAB Cc1ccc(N(C)C(=S)Nc2ccc3snnc3c2)cc1C 408997125 RIDUUWOYEGYZON-UHFFFAOYSA-N 328.466 4.141 0 40 EIAB CC(C)Cn1c(SCCc2ccccc2)nnc1-c1ccncc1 409099506 TWGWPMCTXNNOES-UHFFFAOYSA-N 338.480 4.331 0 40 EIAB Cc1noc([C@H]2CCCN2C(=O)c2oc3c(C)ccc(C)c3c2C)n1 518148146 CAHFBMNFEIZLRT-CQSZACIVSA-N 339.395 4.027 0 40 EIAB CCc1cc(NC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)no1 1119751088 YCKQLOFLKFDRSW-QGZVFWFLSA-N 325.412 4.386 0 40 EIAB O=C(NCc1ccnc(-c2ccccc2)c1)c1ccc2ncccc2c1 1543710273 LVFLUQIJJCIVJI-UHFFFAOYSA-N 339.398 4.227 0 40 EIAB CCOc1ccccc1C(=O)N[C@@H](c1cccs1)C1CCOCC1 1565523550 QMPJTFULFXGDKQ-GOSISDBHSA-N 345.464 4.045 0 40 EIAB COc1ccccc1-c1cc(CNc2nc3cccc(C)c3o2)on1 1655715323 NVDFZSAJWJJXEP-UHFFFAOYSA-N 335.363 4.412 0 40 EIAB C[C@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl 376860 WEGRZIRJQQGVAM-ZJUUUORDSA-N 344.238 4.300 0 40 EIAB Cc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1 413860 MLDIUFODPQNEIC-UHFFFAOYSA-N 343.858 4.311 0 40 EIAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(C)c1 422180 NJYVFPYWFKMMPB-UHFFFAOYSA-N 337.448 4.248 0 40 EIAB C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 482414 SIIHVHAXTBHGEU-LLVKDONJSA-N 337.202 4.351 0 40 EIAB Cc1cc2sc(NC(=S)NC(=O)C(C)(C)C)nc2cc1Cl 569416 GTSZYXPKORSQQE-UHFFFAOYSA-N 341.889 4.117 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C)c(Cl)c1 574380 VAQODBHOVXALSA-MDZDMXLPSA-N 331.799 4.318 0 40 EIAB CCOC(=O)c1sc(Nc2ccc(OC(F)(F)F)cc2)nc1C 1017430 PCHNKTAGZPPFHM-UHFFFAOYSA-N 346.330 4.270 0 40 EIAB O=c1cc(Cl)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1 1383874 VFPSLGWJCWGLOD-UHFFFAOYSA-N 331.202 4.265 0 40 EIAB Cc1ccc2c(COC(=O)c3ccc(F)cc3Cl)cc(=O)oc2c1 3437213 JVUALHGOXLSZKV-UHFFFAOYSA-N 346.741 4.251 0 40 EIAB CCOc1cc(C(=O)Nc2ccccc2C)cc(OCC)c1OCC 3481529 NTHKKKORYOMQAE-UHFFFAOYSA-N 343.423 4.443 0 40 EIAB Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 4033252 BYSRPXRULVBPQW-LBPRGKRZSA-N 325.799 4.045 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)cc1C 4088592 FGDPHQHIIZLNHE-UHFFFAOYSA-N 346.433 4.095 0 40 EIAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 4649105 REXSYRPKOZBRIU-UHFFFAOYSA-N 340.423 4.466 0 40 EIAB Cc1ccccc1Nc1nc(C(=O)N2CCc3ccccc3C2)cs1 4687890 WJVHUDVQUVDLJX-UHFFFAOYSA-N 349.459 4.394 0 40 EIAB Cc1cccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)c1 4714063 UBDLPOFXBVWRAI-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB COC(=O)c1ccc[n+]2c1S[C@H](c1ccccc1)[C@@H]2c1ccccc1 4721233 QOLQJCGZAPBVRP-RBUKOAKNSA-N 348.447 4.197 0 40 EIAB O=C(COc1cccc2ccccc12)N[C@H]1CCCc2ccccc21 6010596 SEKUXBRBMNQTJP-FQEVSTJZSA-N 331.415 4.412 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2cccc(C)c2)c(C)c1 6629916 XHFNFPVLRLJBBR-UHFFFAOYSA-N 326.440 4.167 0 40 EIAB Cc1ccc(SCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2)cc1 7740730 IDKRNRJCGHDGGE-HNNXBMFYSA-N 343.448 4.048 0 40 EIAB COc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1 8167128 XWOKZUREBJJVOT-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl 8267708 SLRLKULDMBMYPI-QWHCGFSZSA-N 341.282 4.444 0 40 EIAB O=C1C[C@@H](c2ccccc2F)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 8973057 NNOKBLFPOCGADT-ZDUSSCGKSA-N 341.773 4.343 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 10328022 JYAAMBJKCKVHSO-UHFFFAOYSA-N 338.451 4.095 0 40 EIAB Cc1ccc(Cn2c(CO)cnc2SCc2ccccc2F)cc1 10336307 IYTCQLDTQSXUOQ-UHFFFAOYSA-N 342.439 4.164 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc2ccccc12 11004451 MCEWVFXNSSEIIT-LJQANCHMSA-N 349.434 4.391 0 40 EIAB O=C(c1ccccc1Br)N1CC[C@@H](c2ccccc2)C1 12021055 ZUEVQEVIOYNMBD-CQSZACIVSA-N 330.225 4.079 0 40 EIAB COc1ccc(-c2cc(CC(=O)Nc3ccc(C)cc3C)no2)cc1 12866940 BMWLOLNKDBUASN-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB Cc1cnc(NC(=O)c2ccc(SCc3cscn3)cc2)s1 12875052 HJCNXALDBTVMOW-UHFFFAOYSA-N 347.490 4.453 0 40 EIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1 13002476 CXLHMEOHLRHYMJ-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 14417338 RQAMSFTXEFSBPK-UHFFFAOYSA-N 336.343 4.055 0 40 EIAB biogenic,in-vitro COc1ccc(NC(=O)CCSc2ccc(C)cc2)c(OC)c1 15654686 IILLQXNHRAVQCP-UHFFFAOYSA-N 331.437 4.133 0 40 EIAB Fc1cc(Br)ccc1NC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 16221429 IXWVPOWWXUNOCG-IGJMFERPSA-N 343.265 4.063 0 40 EIAB COc1ccc(C[C@@H](NCc2cccnc2)c2ccc(OC)cc2)cc1 17317780 SYRJGWYEQVCMRN-JOCHJYFZSA-N 348.446 4.172 0 40 EIAB C[C@H](NCc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 20876101 DSRKQIASIFNRRG-OSONQDNFSA-N 327.468 4.152 0 40 EIAB O=C(O)c1cc2ccccc2n1Cc1ccc(Br)cc1 21796508 IATYOHCCHUIEFD-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1cc(F)c(Cl)cc1Cl 22738575 GRZPOVCKLANELL-UHFFFAOYSA-N 332.187 4.114 0 40 EIAB CCCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 24578905 YOXFSLSONXZYDR-RGMRCXJASA-N 341.495 4.450 0 40 EIAB CCCCc1nnc(NC(=O)Cc2c(C)[nH]c3ccc(C)cc23)s1 24767282 YLKURSLZAROEJX-UHFFFAOYSA-N 342.468 4.160 0 40 EIAB CC(=O)c1c(C)cc(C)c(CNc2ccc(C(N)=O)c(Cl)c2)c1C 25737956 BXNCFDHLNIABAM-UHFFFAOYSA-N 344.842 4.179 0 40 EIAB O=C(CCCc1nc2ccccc2s1)Nc1nc2c(s1)CCC2 25768115 RTTQVUDJGLAGLS-UHFFFAOYSA-N 343.477 4.203 0 40 EIAB O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1c(Cl)cccc1Cl 26503937 ADVIKGVDQKCZQQ-DTWKUNHWSA-N 330.598 4.016 0 40 EIAB O=C(Cc1ccccc1)NC[C@@H](c1cccs1)N1CCCCCC1 27741453 GNPFJUQLKIGQJV-SFHVURJKSA-N 342.508 4.024 0 40 EIAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2cccc2)cc1 28304026 YZYSCYYDDXDCTP-INIZCTEOSA-N 333.435 4.034 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1C 32487587 HVSAJLMMUTZTEZ-AEFFLSMTSA-N 325.452 4.208 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CCCc2ccccc21 32817769 NBCORUQNTUELOY-NRFANRHFSA-N 330.431 4.214 0 40 EIAB Cc1cccc(-c2nc(CSc3ncnc4sccc34)no2)c1 32913783 APOUTFIVMKOTEW-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB C[C@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 35142218 QJSLJLSQEYRTPS-WBMJQRKESA-N 331.799 4.173 0 40 EIAB O=C(C1CCCC1)N1CCc2nc(-c3ccccc3F)sc2C1 36752111 UEIHSCOXZDXPID-UHFFFAOYSA-N 330.428 4.024 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38849292 ZTQDZRSXUYUNCI-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913190 PJVYEUBFBRIASX-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1c(F)cccc1Cl 44675496 JXUNIAFLRQWXKM-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccco1)CO3 55393769 IGAOFKRKAIUPBG-UHFFFAOYSA-N 345.782 4.008 0 40 EIAB C[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(F)cc2)no1 58177775 SJHSKMMHSIEISS-SNVBAGLBSA-N 345.761 4.020 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](C)CC2)c1 58420917 XQPZLWQEMYGYAZ-AWEZNQCLSA-N 342.439 4.133 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1 59351771 VHVBYCXOARGVKO-WBVHZDCISA-N 327.424 4.038 0 40 EIAB Cc1cc(NCCOc2ccc(C(C)C)cc2)nc(-c2ccncc2)n1 60859647 UNPJYTQNPDYLEY-UHFFFAOYSA-N 348.450 4.461 0 40 EIAB Cc1ccccc1CN(Cc1ccccn1)C(=O)CCc1ccco1 65563695 UFRAQZUBPYRSMP-UHFFFAOYSA-N 334.419 4.145 0 40 EIAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68756312 XIGFGPGVBNVZJQ-UONOGXRCSA-N 335.234 4.151 0 40 EIAB Cc1ccc(OCCCCNC(=O)c2ccc3ncccc3c2)cc1 72276960 ZLPIEXCBQJDUIS-UHFFFAOYSA-N 334.419 4.132 0 40 EIAB Cc1ccc([C@@H](NC(=O)Nc2nnc(C3CC3)s2)C(C)(C)C)o1 72284975 HDYODOHIVRNISQ-GFCCVEGCSA-N 334.445 4.226 0 40 EIAB Fc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@@]34C2)cc1 72342202 PACOWZUQYBZXCZ-ILZDJORESA-N 342.483 4.299 0 40 EIAB C[C@@H](c1ccco1)N(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 74519247 TXYVUORLAZGECO-ZDUSSCGKSA-N 343.354 4.424 0 40 EIAB CC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C)CCCC3)cc1 75148050 BTVMQKNTUBRXDP-UHFFFAOYSA-N 342.464 4.075 0 40 EIAB CN(Cc1ccncc1)C(=O)Nc1cccc(N2CCCCCC2)c1 77723909 ZGPHGZKDYPKRSC-UHFFFAOYSA-N 338.455 4.126 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)[C@H]1C[C@H]1c1ccccc1F 84504690 UAJXKPUARLARNJ-ROUUACIJSA-N 338.426 4.164 0 40 EIAB O=C(Nc1ccc2c(c1)COC2)N[C@H]1CCc2cc(Cl)ccc21 92164348 QJPHMMAODSGBEN-KRWDZBQOSA-N 328.799 4.179 0 40 EIAB Cc1csc(CCCN[C@H](C)CC(=O)Nc2cccc(C)c2C)n1 95421640 XQZHBISIXRBLHA-CQSZACIVSA-N 345.512 4.008 0 40 EIAB CC[C@H](C)c1cc(C(=O)N(C)c2cc(-c3ccccc3C)[nH]n2)on1 95961263 SCWHRIKGXQNCGU-LBPRGKRZSA-N 338.411 4.163 0 40 EIAB COc1cc(Cl)c(NC(=O)C2(c3ccccc3F)CC2)cc1OC 96411994 MRMANNJHBXQGFT-UHFFFAOYSA-N 349.789 4.167 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113959850 IIKXXKQGZYPTAP-WOJBJXKFSA-N 341.451 4.429 0 40 EIAB Cc1cc(C)c(N2CC[C@H](S[C@@H](C)c3cnccn3)C2=O)c(C)c1 191161563 VTBWGZOHKMOKIC-RDJZCZTQSA-N 341.480 4.002 0 40 EIAB Cc1cccc(OCC(=O)NCCCc2ccccc2Cl)c1C 222817829 BBWUYHJURIUZNM-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C)cc2C)cc1 223439329 WWAWTKYQGVKWAN-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB COc1ccc(C(=O)NCCCc2ccccc2Cl)cc1Cl 224013527 DNFNAUARQUAUJE-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1OC 224054882 XAQDVJBOACZRSU-CXAGYDPISA-N 347.842 4.383 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224252700 MYUCIEBVZJSBHV-RBUKOAKNSA-N 348.475 4.204 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC[C@@H](C)c1ccccc1 224466982 GRKKCKDDMVKGGD-APWZRJJASA-N 325.452 4.381 0 40 EIAB CCOc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225107061 IOMPDSUUDDLTKY-LJQANCHMSA-N 342.435 4.458 0 40 EIAB CCc1ccccc1NC(=O)c1snnc1-c1cccc(OC)c1 225765568 UOWXXMIUFCAKRG-UHFFFAOYSA-N 339.420 4.028 0 40 EIAB CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 250367254 GTADAILQZYOTIC-QPOHIBMRSA-N 332.447 4.343 0 40 EIAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)s1 257334068 YEJOLXAGTLKUDI-MRXNPFEDSA-N 337.448 4.020 0 40 EIAB Cc1ccc(-c2cccc(CNCc3cnc4n3CCCC4)c2)cc1 551619279 AXDZKKZJQFEAFX-UHFFFAOYSA-N 331.463 4.485 0 40 EIAB O=C(CSc1nc2ccccc2s1)N1CCCc2ccccc21 51663 HGJJZDZTTSUOKP-UHFFFAOYSA-N 340.473 4.368 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cncc(Br)c1 255995 QTSTXILHQXGMSO-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB CCN(C(=S)NC(=O)Cc1cccc2ccccc12)c1ccccc1 359040 SKVYVBAJBQORHS-UHFFFAOYSA-N 348.471 4.310 0 40 EIAB COc1cc(OC)cc(-c2nnc(SCc3ccccc3F)o2)c1 415407 WXAURZKEJLHCEX-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB Cc1c(C(=O)Nc2ccccc2)c2ccc(C(F)(F)F)cc2n1O 480555 HXVYGLARFPWKJJ-UHFFFAOYSA-N 334.297 4.458 0 40 EIAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(C(C)C)C2=O)c1 1018392 OMJYIRAEXFBXAF-LFIBNONCSA-N 326.421 4.230 0 40 EIAB Cc1cc(NCc2cccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2204600 XKWCKKSMJQPAIO-UHFFFAOYSA-N 349.825 4.365 0 40 EIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 2637513 MAGBPTOJWLBFPF-SNVBAGLBSA-N 342.247 4.133 0 40 EIAB Cc1cccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1C 2713205 FKNNSFAWTFKUTL-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB CCOC(=O)C[C@H](NC(=O)c1cccc(C)c1)c1ccccc1Cl 3622648 CFAYWWVIQWWBHW-KRWDZBQOSA-N 345.826 4.073 0 40 EIAB O=C(Oc1ccc([C@H]2N=C(O)c3ccccc3N2)cc1)c1ccccc1 4108238 DOHMPVBIDCOVAA-LJQANCHMSA-N 344.370 4.335 0 40 EIAB CCOC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C 4137777 NITLWYJLFIBHHU-UHFFFAOYSA-N 337.401 4.121 0 40 EIAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1 4176183 YEUDKDSAWRUDTA-UHFFFAOYSA-N 329.469 4.221 0 40 EIAB COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1C 4570487 MBIRVMDTBKQGGA-UHFFFAOYSA-N 343.448 4.283 0 40 EIAB COc1ccc2ccccc2c1[S@](=O)NCc1ccc(Cl)cc1 4650754 XFXZZIFHDSZDPJ-HSZRJFAPSA-N 345.851 4.314 0 40 EIAB C[C@H]1CCC[C@H](N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)[C@@H]1C 4852016 LXKVABORPCYYLX-JCGVRSQUSA-N 333.431 4.359 0 40 EIAB Cc1cccc(-c2ocnc2C(=O)Nc2cccc3ncccc23)c1 5001981 OPIKWRRKIVSCCT-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)c(O)c1 5342860 BRDIJJNOVAAPAQ-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(F)c(F)c1 5627368 QUXFFYWUYCADIA-UHFFFAOYSA-N 330.359 4.244 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(C)cc3s2)c1 5815179 RYWQTZKFDCRURZ-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1 6587004 WYGSWAITLHUMSD-OUKQBFOZSA-N 336.416 4.053 0 40 EIAB COc1cc(C(=O)NCc2cccc(Cl)c2)ccc1OCC(C)C 6790318 XOITVORKVXFZIN-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB O=C(COC(=O)CC1CCCCC1)Nc1cccc(Cl)c1Cl 6886384 RNPFUIYVJKCAOO-UHFFFAOYSA-N 344.238 4.446 0 40 EIAB Cc1ccc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)cc1C 6914926 JLCUGXNBCRUDPF-UHFFFAOYSA-N 339.826 4.115 0 40 EIAB O=C(CSc1ccccn1)N[C@@H](Cc1ccccc1)c1ccccc1 7042808 REKJEXQTSXVLCY-IBGZPJMESA-N 348.471 4.274 0 40 EIAB Cc1ccc2cccc(NC(=S)NC(=O)/C=C/c3ccccc3)c2n1 7388707 OLCJTOWSNRMHSE-ACCUITESSA-N 347.443 4.070 0 40 EIAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(C)s3)o2)cc1 7392833 ATFGRFXOSNOSEA-UHFFFAOYSA-N 330.434 4.390 0 40 EIAB CN(CC(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCc2ccccc21 8126390 MFYPFKDTUSASQY-GOSISDBHSA-N 346.833 4.427 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 8493109 NNVXBSDUKXTPSD-WRUMOOJNSA-N 327.468 4.237 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1ccc(C)cc1 8558436 FBCGKWKNVWJZDA-IBGZPJMESA-N 343.492 4.202 0 40 EIAB Cc1cccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)c1 8790794 BETSQJXIAIVNDV-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCOc1ccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 9012717 PPFNPANBWYSGCR-SFHVURJKSA-N 336.460 4.373 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137775 LFPDWENQGOCSFB-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1)CSC2 9347230 NXQHADYOHMZQGD-UHFFFAOYSA-N 335.432 4.180 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(F)c(Cl)c3)cc(=O)c2c1 9451281 NUGIDEWWXZXBTO-UHFFFAOYSA-N 331.730 4.146 0 40 EIAB CCCc1c(C)[nH]c2c(-c3ccc(Cl)cc3)c(CC)nn2c1=O 9935411 VTGFCCZLZMBXBA-UHFFFAOYSA-N 329.831 4.166 0 40 EIAB Cc1c(C)c2cc(-c3ccn(-c4ccccc4)n3)c(O)c(C)c2oc1=O 11866511 LTWMIILGUYWHJZ-UHFFFAOYSA-N 346.386 4.277 0 40 EIAB Cc1nc(S[C@H](C)C(=O)OCC(C)C)cc(-c2ccccc2)n1 12016925 XPYRBUHLIWMYII-CYBMUJFWSA-N 330.453 4.132 0 40 EIAB CCOCCn1c(C)c(C(=O)OCC)c2cc(O)c3ccccc3c21 12411239 SOAXBKPKMUYYKY-UHFFFAOYSA-N 341.407 4.022 0 40 EIAB biogenic,in-vitro Cc1cc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc(C(C)C)n1 12615940 PUBJAEIQWXAPMB-ZDUSSCGKSA-N 347.459 4.017 0 40 EIAB CCCCc1nc2ccccc2n1CC(=O)N(CC)c1ccccc1 12650338 UIOAZABSKZWMKM-UHFFFAOYSA-N 335.451 4.432 0 40 EIAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccccc2Cl)n1 13495357 ZKJHXSKEVLLXMS-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 13961017 UCBZRZIQBAAOCT-UHFFFAOYSA-N 333.313 4.237 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccccn2)n1 14136817 YECXVHJUJPBCLJ-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB C[C@@H]1c2ccsc2CCN1Cc1cccc(OC[C@@H]2CCCO2)c1 19498366 DJCFMTRMFOSGIU-QAPCUYQASA-N 343.492 4.425 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CSc2ccc(C)cc2)cc1 20454303 UAIYVHIMXFSYIS-HNNXBMFYSA-N 329.465 4.363 0 40 EIAB CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(OC)cc1 20458167 HJOACNXBYTVVCL-IBGZPJMESA-N 327.424 4.364 0 40 EIAB Cc1ccc(OCCNC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)c1 25949005 OQHFMELWGXSMBH-MRXNPFEDSA-N 344.430 4.224 0 40 EIAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ncc3ccccn23)c(C)c1 26372597 CQACLAGNADHSGN-OAHLLOKOSA-N 339.464 4.379 0 40 EIAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1occc1-c1ccccc1 27838469 DWRRRJBYEIYBCL-KRWDZBQOSA-N 346.430 4.203 0 40 EIAB Cc1cccc2[nH]c(SCC(=O)N(c3ccccc3)C(C)C)nc12 28515305 DLFSUJDCIWCXOK-UHFFFAOYSA-N 339.464 4.405 0 40 EIAB Cc1ccc(C)c(OCc2nnc(SCc3c(C)noc3C)o2)c1 28809211 XUABSTWWHUUBJH-UHFFFAOYSA-N 345.424 4.163 0 40 EIAB CN(CC(=O)Nc1cccc2ccccc12)[C@H]1CCc2ccccc21 29482600 MNKBVOOJNXDRPS-NRFANRHFSA-N 330.431 4.398 0 40 EIAB CCOC(=O)c1ccc(NC(=O)C2=Cc3cc(C)ccc3OC=C2)cc1 33321260 AOAKYAINVNXBOE-UHFFFAOYSA-N 349.386 4.100 0 40 EIAB CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cn1 36613967 BKRWZNAAYNLHCH-UHFFFAOYSA-N 339.365 4.123 0 40 EIAB O=C(NCCc1ccc(O)cc1)Nc1ccc(Cl)c(Cl)c1 38031924 BEFYAOOCXIWBKW-UHFFFAOYSA-N 325.195 4.063 0 40 EIAB CC(C)COc1cccc(C(=O)NCc2cnc3ccccc3c2)c1 48300818 YZKZLASEGZWXJR-UHFFFAOYSA-N 334.419 4.200 0 40 EIAB O=C(Nc1ccccc1Sc1nncs1)c1cc(F)ccc1F 60371763 CKLNLDVDJOUIOI-UHFFFAOYSA-N 349.387 4.220 0 40 EIAB CN(C)c1c(Cl)cccc1NC(=O)CNc1ccccc1Cl 65591629 GCSMMQLPXLKWDR-UHFFFAOYSA-N 338.238 4.110 0 40 EIAB COc1cccc(-c2noc(CNc3cc(Cl)ccc3OC)n2)c1 66861748 JJUPXUAXHVDMMC-UHFFFAOYSA-N 345.786 4.019 0 40 EIAB O=C(Cc1ccccc1)Nc1ccccc1NC(=O)c1cccs1 69594651 IQPGQJNQZDIZQA-UHFFFAOYSA-N 336.416 4.182 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N3CCCSCC3)cc2)n1 69900388 LPBZAXKLVRYTRE-UHFFFAOYSA-N 333.482 4.089 0 40 EIAB COc1cccc([C@H]2C[C@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 72332441 NLKVUNQWEWGQCC-RTBURBONSA-N 334.423 4.050 0 40 EIAB C[C@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 75155373 UUKKDJKBYWBSGJ-FQEVSTJZSA-N 337.444 4.053 0 40 EIAB CN(C(=O)c1ccccc1OCc1cscn1)c1ccc(F)cc1 79070622 WBPHAIZUKQMNSZ-UHFFFAOYSA-N 342.395 4.138 0 40 EIAB CCOC[C@H]1CCCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 79306204 XDIUHBKNPMYFPL-CABCVRRESA-N 336.501 4.391 0 40 EIAB C[C@@H]1CN(C(=O)Nc2nc(C3CC3)cs2)C[C@@H](c2ccsc2)O1 89937005 JSXDLQLJINFWEM-YGRLFVJLSA-N 349.481 4.076 0 40 EIAB CCOC(=O)[C@@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 95743875 RQALVIYDMVWHIV-KRWDZBQOSA-N 333.790 4.146 0 40 EIAB FC(F)(F)SCCCNCc1ccccc1Br 95918375 YLGACWROIYEZCJ-UHFFFAOYSA-N 328.197 4.182 0 40 EIAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@H]1CC=CCC1 96119701 IEEWCCVETIYDGT-AWEZNQCLSA-N 349.390 4.215 0 40 EIAB CC(=O)Nc1cc(NCc2csc(C(C)C)n2)c(F)cc1F 96461382 YIZLCMKCNNUOPL-UHFFFAOYSA-N 325.384 4.115 0 40 EIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1C 225706603 ZYDJNKYQMXMECP-CQSZACIVSA-N 342.464 4.122 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900404 YRKQDBZRXLTYOU-FOIQADDNSA-N 348.487 4.493 0 40 EIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 255930492 AGWVDLZNKPAKKX-ZDUSSCGKSA-N 331.868 4.406 0 40 EIAB CC(C)CCn1nccc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C 547671971 QVGFNQKURGJPMO-AWEZNQCLSA-N 344.434 4.220 0 40 EIAB C[C@H](c1ccccc1)N1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 585099673 WBBARXKFNPVNHN-GCJKJVERSA-N 340.511 4.252 0 40 EIAB O=c1c(SCc2ccccc2)c(Cl)cnn1-c1ccccc1 385732 IEJLTXOITMZHML-UHFFFAOYSA-N 328.824 4.178 0 40 EIAB CCSc1nnc(COc2ccccc2)n1-c1ccc(C)cc1 422207 ZMVPTUKPZCGNTB-UHFFFAOYSA-N 325.437 4.267 0 40 EIAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 480426 VKXQGDSPGLPANX-UHFFFAOYSA-N 334.778 4.470 0 40 EIAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 523221 PUKRBRHXTDIWEJ-CYFREDJKSA-N 347.395 4.020 0 40 EIAB Cc1nc(N)nc(SCc2ccccc2Cl)c1Br 1676875 QMAIACGEPXIEEI-UHFFFAOYSA-N 344.665 4.075 0 40 EIAB CC1(C)COC(CCCC(=O)c2cccc(Br)c2)OC1 2518042 ILAGKRUYPSLJFZ-UHFFFAOYSA-N 341.245 4.201 0 40 EIAB Cc1cc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)nc(Cl)n1 2564947 KLKBVSJMFBBYNW-UHFFFAOYSA-N 340.692 4.174 0 40 EIAB Fc1ccccc1-c1nnc2c3ccccc3nc(N3CCCCC3)n12 3063657 SMMBDVMRWAPPBA-UHFFFAOYSA-N 347.397 4.074 0 40 EIAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1 3229780 ZIPMCVQIAIOEKU-UHFFFAOYSA-N 336.391 4.033 0 40 EIAB COc1cccc(COC(=O)c2ccccc2C(=O)c2ccccc2)c1 3357211 JXDUYNCLQNWBQE-UHFFFAOYSA-N 346.382 4.283 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1 3516073 HYAPAIRKYJWAMZ-UHFFFAOYSA-N 329.705 4.376 0 40 EIAB CCCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 4056270 NDMULLFQDDGVDK-UHFFFAOYSA-N 349.253 4.298 0 40 EIAB CC1(C)CCCN1CCOC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1 4410938 VBVWXWCTRUOHLX-FHWLQOOXSA-N 331.500 4.343 0 40 EIAB CCSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 5241222 RBUUOVWFDGMOGO-UHFFFAOYSA-N 331.422 4.162 0 40 EIAB CC1CCN(C(=O)CSCc2c(Cl)cccc2Cl)CC1 6348733 MWDLLUJFTXUWGC-UHFFFAOYSA-N 332.296 4.485 0 40 EIAB CCc1ccc2nc(NC(=O)Cc3noc4ccccc34)sc2c1 6590039 URYVMJHOWSIXGN-UHFFFAOYSA-N 337.404 4.181 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 6879580 BBUSXWOAUUBFDA-UHFFFAOYSA-N 337.341 4.017 0 40 EIAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCCCC1 6887176 OYNKJRWKMPLAAJ-UHFFFAOYSA-N 338.455 4.190 0 40 EIAB COc1cccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c1OC 6898256 JXICXLWPVLMZTA-ZHACJKMWSA-N 335.359 4.121 0 40 EIAB O=C(CSC/C=C/c1ccccc1)NCc1ccc(Cl)cc1 6938828 FADWTNDVJJEBRL-QPJJXVBHSA-N 331.868 4.403 0 40 EIAB c1coc(-c2cc(CSc3ccc4c(c3)OCCCO4)no2)c1 7021728 STBXLBCLDTZFQE-UHFFFAOYSA-N 329.377 4.388 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CSCc1cccs1 7401218 BPLPDEKUKCJJNF-UHFFFAOYSA-N 327.858 4.282 0 40 EIAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 7779953 YJEUAHQLAKZSQS-ISBHARSQSA-N 334.415 4.312 0 40 EIAB c1coc(-c2nnc(Sc3ncnc4c3oc3ccccc34)o2)c1 7781936 HKNYLIHIMQMQOL-UHFFFAOYSA-N 336.332 4.170 0 40 EIAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 7811940 BNVNGPYGYNSMGN-QZTJIDSGSA-N 336.479 4.194 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 8864604 GKKPOPRMLHDHMU-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB COc1cccc([C@H]2CCCN2C(=S)Nc2ccccc2F)c1 11035032 AUIVNHOHALFTQU-QGZVFWFLSA-N 330.428 4.368 0 40 EIAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1c(F)cccc1F 12235654 GNGNHAKCMMCXDZ-UHFFFAOYSA-N 348.736 4.203 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 12808111 HEDZOODZTWNWMK-UHFFFAOYSA-N 327.409 4.178 0 40 EIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(Cc2ccccc2)n1 13005557 MGUMVYRCWVSMCU-UHFFFAOYSA-N 339.826 4.074 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1C 13668036 SENXJESNYQIWKX-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1O 13689271 LGPXDLGZTDLMFL-WJDWOHSUSA-N 341.388 4.032 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1Cl 13710036 YUINKPJKZWEUBD-GJZGRUSLSA-N 331.843 4.245 0 40 EIAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(Cl)cc1Cl 13726362 MXCYOGKMURUEGX-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB CC(=O)NCc1ccc(-c2nc(-c3ccccc3)sc2C)s1 14102738 HDBNWVZVFCDNRT-UHFFFAOYSA-N 328.462 4.483 0 40 EIAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 14254923 JZGRWLLJLOXWNF-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(-c3ccco3)nc2n1 15780285 KMFWWKJMHLLODS-UHFFFAOYSA-N 339.786 4.398 0 40 EIAB CC[C@H]1c2ccsc2CCN1Cc1ccc(N2CCCC2=O)cc1 19500999 RTCCZKKAAFLHFI-SFHVURJKSA-N 340.492 4.384 0 40 EIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2ccccn2)n1 19690787 ZENWLTADSRMKPB-OAQYLSRUSA-N 343.430 4.429 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20112745 ILJBSDWZGPTBHH-MRXNPFEDSA-N 341.451 4.245 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1F 20137751 HRTBAYYLJMRMAY-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc3cccnc23)c1 21552521 MFAPQECRZJLBAY-UHFFFAOYSA-N 332.403 4.453 0 40 EIAB CC(=O)c1cc(CCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)oc1C 21669551 MHUOVRNFAQRIHH-HXUWFJFHSA-N 345.414 4.376 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c2ccccc2c1=O 22233906 WQTBENIUQYOBTA-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 24006917 GTHPNMPXVOSVNI-SJPCQFCGSA-N 340.467 4.011 0 40 EIAB CN(C(=O)CCc1nc2ccccc2s1)[C@@H]1CCc2ccccc21 24828260 OURISJCBOWEIMG-QGZVFWFLSA-N 336.460 4.375 0 40 EIAB CCCc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)sc1C 25329453 NWNLKSNGSMJAPA-OAHLLOKOSA-N 336.526 4.103 0 40 EIAB COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)c(F)c1 27788653 RNNSMTSXVPASSH-UHFFFAOYSA-N 337.418 4.306 0 40 EIAB CC(=O)Nc1ccc(CN[C@H](C)c2ccccc2OC(F)F)cc1 28926314 CHTSCQMYJWJVIS-GFCCVEGCSA-N 334.366 4.097 0 40 EIAB C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 30477929 LXHMCTLXABBFPJ-SECBINFHSA-N 328.721 4.245 0 40 EIAB Cc1ccc(C)c(OCc2ccc(C(=O)NCc3ccc(C)o3)o2)c1 32647887 ACJZUZSHTIGFNC-UHFFFAOYSA-N 339.391 4.307 0 40 EIAB CCc1ccc(C2=Nn3c(nnc3-c3cccs3)S[C@@H]2C)cc1 32682298 RNZORJPKZSKONI-LLVKDONJSA-N 340.477 4.316 0 40 EIAB C[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 32845201 WPKUZMKFFPYSRP-NXEZZACHSA-N 340.320 4.364 0 40 EIAB Cc1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)n1 36359257 CHXJYFCFBABZDU-UHFFFAOYSA-N 331.375 4.238 0 40 EIAB COc1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38835096 VYDGGBHMKJIZKB-MRXNPFEDSA-N 338.451 4.179 0 40 EIAB CCOc1ccc(NC(=O)N2CC[C@H](c3ccc(OC)cc3)C2)cc1 38935564 MPQGBQYZDWPFFB-INIZCTEOSA-N 340.423 4.115 0 40 EIAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2ccc(Cl)s2)n1 44939457 LDFRPANPVSONEA-SNVBAGLBSA-N 341.864 4.108 0 40 EIAB CC(=O)Nc1ccc(CNCCSc2ccc(C)c(C)c2)cc1 48354753 VNTGSLNRUIRKLH-UHFFFAOYSA-N 328.481 4.144 0 40 EIAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3o2)C1 48374751 IMHBYQMFUUXUMU-OCCSQVGLSA-N 338.411 4.029 0 40 EIAB Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2o1 56255977 JKEBDLINBRXBDG-VXGBXAGGSA-N 326.318 4.443 0 40 EIAB C[C@@H]1CCCN(c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)C1 58358078 JZVDLPHZNJGSHH-CQSZACIVSA-N 341.480 4.173 0 40 EIAB CCN(CCCNc1cc(C)nc(-c2ccncc2)n1)c1ccccc1 60217895 ILLFQUDKADTMEG-UHFFFAOYSA-N 347.466 4.176 0 40 EIAB Cc1cc(C(=O)Cn2cc(Cl)cn2)c(C)n1CCc1ccccc1 63457290 STNKVNSDWLWUOK-UHFFFAOYSA-N 341.842 4.080 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1 67945251 HAOFFIMVXGKEHK-HUUCEWRRSA-N 328.799 4.041 0 40 EIAB Cc1cc(C)c2nc(NC(=O)c3ncoc3[C@@H]3CCCO3)sc2c1 70014345 GPWRFHNWUOVICB-NSHDSACASA-N 343.408 4.005 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2F)cc1F 71760504 GNNGSPNHICYAFT-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB Cc1nc([C@@H](C)NC(=O)N(Cc2ccccc2F)C2CC2)cs1 72271621 NSMHVYXTZKTYDE-LLVKDONJSA-N 333.432 4.026 0 40 EIAB C[C@H](NC(=O)N(C)Cc1ccncc1)c1csc2ccccc12 75133515 DCENLYXDYQIXLE-ZDUSSCGKSA-N 325.437 4.199 0 40 EIAB CSc1cccc(NC(=O)c2cc(OCc3ccccc3)no2)c1 90726517 ZPFPSRCEFWMVII-UHFFFAOYSA-N 340.404 4.228 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 95411588 LCSVXLPTTMEVQM-UHFFFAOYSA-N 347.374 4.276 0 40 EIAB O=[S@@](CCc1ccccc1)Cc1csc(Cc2ccccc2)n1 96404351 QVCWDYLVUHCCEZ-HSZRJFAPSA-N 341.501 4.225 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)NCc3cc(C(C)C)no3)c2)o1 96406201 ADRTWTPWSQTHJU-UHFFFAOYSA-N 340.383 4.083 0 40 EIAB C[C@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)C1CCOCC1 96484813 HUTZWRWELXTQDI-NSHDSACASA-N 330.255 4.015 0 40 EIAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1c(Cl)cccc1Cl 103105263 ADVIKGVDQKCZQQ-BDAKNGLRSA-N 330.598 4.016 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)ccc1Cl 113969080 GMWVBQWNQYTDOX-LBPRGKRZSA-N 338.234 4.386 0 40 EIAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580082 UFBTUTCUWJTLMO-MORSLUCNSA-N 339.464 4.070 0 40 EIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 222927400 VQQZEYIIYQJVQT-UHFFFAOYSA-N 338.451 4.013 0 40 EIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)[nH]1 224154730 XMRKVPDDVUJGLI-MOPGFXCFSA-N 348.475 4.204 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1C 225717496 INVHJCWCPKEDNH-INIZCTEOSA-N 329.469 4.145 0 40 EIAB O=C(c1conc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 225871902 NBHZPSMBCRBRJG-UHFFFAOYSA-N 346.430 4.437 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccc(C)c(Br)c2)cc1 243213084 KGOIISFGBUDMBW-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB c1ccc(Cc2cnc([C@@H]3CCCN3Cc3cscn3)o2)cc1 257246207 ITBVRUPRPILECO-KRWDZBQOSA-N 325.437 4.059 0 40 EIAB Cc1cccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)c1 526052466 QMJUSGDFGPDMQC-KRWDZBQOSA-N 335.407 4.172 0 40 EIAB Cc1ccccc1OCC(=O)NCc1ccc(-c2ccsc2)o1 575611868 YXOGKFSPFOSBCO-UHFFFAOYSA-N 327.405 4.012 0 40 EIAB Cc1cc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)oc1C(=O)O 583884031 SSZFEVFQOHQGDN-QGZVFWFLSA-N 325.408 4.056 0 40 EIAB C[C@H](NC[C@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 585134811 KOGXGQFSUDCGIM-LPHOPBHVSA-N 336.435 4.158 0 40 EIAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(OC)cc1 145921 NVABUPIUZWKSFH-UHFFFAOYSA-N 340.354 4.303 0 40 EIAB CCc1cccc(C)c1NC(=S)NC(=O)c1cc(C)cc(C)c1 505943 OSEOONFIMJCQEN-UHFFFAOYSA-N 326.465 4.301 0 40 EIAB Oc1c(C2=NCCC2)c2nc(-c3ccccc3)cn2n1-c1ccccc1 1772003 HLTGOUSVWYHLMW-UHFFFAOYSA-N 342.402 4.081 0 40 EIAB FC(F)(F)c1cc(-c2cccs2)nc(-n2cc(Cl)cn2)n1 2466145 VVRAFJAFNTZYGV-UHFFFAOYSA-N 330.722 4.063 0 40 EIAB O=C(CN1CCc2ccccc21)Nc1ccccc1Cc1ccccc1 2637349 QRWJPIZDHOPJCJ-UHFFFAOYSA-N 342.442 4.279 0 40 EIAB COc1cccc2c1O[C@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 4539977 OVYZWXVFOUTKAI-BZNIZROVSA-N 328.799 4.238 0 40 EIAB Cc1ccc2cccc(OCC(=O)N(c3ccccc3)C(C)C)c2n1 5198567 RLVGCMADFVLEKM-UHFFFAOYSA-N 334.419 4.364 0 40 EIAB O=C1CCCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 5333427 DDQIFQYQTRLFBL-OAHLLOKOSA-N 331.416 4.023 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CSc1nncn1C(C)C 5417640 AZUGEZHQXIFHPH-UHFFFAOYSA-N 332.473 4.022 0 40 EIAB O=c1oc2ccccc2c(O)c1SC(F)(F)[C@@H](F)C(F)(F)F 5731630 CYVJSJILZQKBIU-JTQLQIEISA-N 344.232 4.084 0 40 EIAB CCc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccc(F)cc1 8080612 SWGHETDBPIWCGC-ZPHPHTNESA-N 346.452 4.258 0 40 EIAB CC(C)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 8096280 CIYMYSXQPZASFB-UHFFFAOYSA-N 336.435 4.118 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NOCc3ccccc3)ccc2c1 8096983 VBUFXXRQOCJRAE-HNNXBMFYSA-N 335.403 4.200 0 40 EIAB O=C(CSCCSCC(=O)c1ccccc1)c1ccccc1 8337944 DMNWDYNOESVCBP-UHFFFAOYSA-N 330.474 4.219 0 40 EIAB COc1ccc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc1 9125908 XVCCTLPQBDDNLJ-UHFFFAOYSA-N 334.400 4.327 0 40 EIAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H](C(F)(F)F)C1 9711415 KRNYJYZAMGDEBS-SECBINFHSA-N 329.347 4.103 0 40 EIAB O=C(OC1(C(=O)O)CCCCC1)C(c1ccccc1)c1ccccc1 9914371 PRDFIVUVDAGPPA-UHFFFAOYSA-N 338.403 4.149 0 40 EIAB O=C(c1ccc(F)cc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 11071780 SCFDTMDMGUKYRK-UHFFFAOYSA-N 338.357 4.376 0 40 EIAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 12377870 IMRXUDBZTAXAGF-IYBDPMFKSA-N 335.513 4.401 0 40 EIAB CN(C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 12517127 FIULKBQHVMGNDS-UHFFFAOYSA-N 333.416 4.364 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(C)cc3)no2)cc1 12755505 HCQZVGDFAAKFLB-LJQANCHMSA-N 349.434 4.391 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3F)c12 12770406 UTWPMEMRVAOMKV-UHFFFAOYSA-N 345.761 4.453 0 40 EIAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)c1c[nH]c2ccccc12 13688127 HXQYVKHFEOUUJL-UHFFFAOYSA-N 342.811 4.068 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ncc(Cc2cccc(C)c2)s1 14021998 HPTCQYDFXCOSLW-UHFFFAOYSA-N 341.436 4.153 0 40 EIAB COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl 14258428 IVANPXYVRHGVEN-UHFFFAOYSA-N 346.814 4.195 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1Cl 16347721 MYAIQLYVQRHHMV-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 17289203 IFHGGYDTYPNLCZ-ACJLOTCBSA-N 328.843 4.011 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 20110533 BDXSFVPCFCSGLC-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 20489364 VNPNSRGVZBQPAY-KRWDZBQOSA-N 349.386 4.365 0 40 EIAB CCOc1cccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)c1 20674309 YQKNHRYAJOHKDA-UHFFFAOYSA-N 332.403 4.457 0 40 EIAB COc1ccc(CN[C@@H](C)c2cccc(Cl)c2)c(OC)c1OC 22781624 YABWLIUNYNYWKU-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB O=C(CN(Cc1ccccc1)C1CC1)Nc1ccccc1C(F)(F)F 25120221 VXEXERWTEFOQIU-UHFFFAOYSA-N 348.368 4.309 0 40 EIAB Cc1c(C(=O)N(C)[C@H](C)c2ccccc2)cnn1-c1ccccc1F 25616927 ZWDRYYRFMZKNDS-CQSZACIVSA-N 337.398 4.153 0 40 EIAB C[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)n1cccn1 28434929 UZFILIVYXSNFBK-CYBMUJFWSA-N 348.431 4.360 0 40 EIAB C[C@@H](NC(=O)CC1(CC(=O)O)CCCCC1)c1cc2ccccc2o1 29010785 AJVMMXVRCJQDOH-CQSZACIVSA-N 343.423 4.425 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc4cccnc34)oc2c1C 32623261 MNZLNDLIWJIQJG-UHFFFAOYSA-N 344.370 4.210 0 40 EIAB CC(C)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O 32691498 NQXJHZWQZPWDEZ-IBGZPJMESA-N 339.435 4.197 0 40 EIAB CCc1ccc(S(=O)(=O)N[C@H](c2cccs2)C(C)(C)C)cc1 32916390 YCILHOVAIXMTRV-MRXNPFEDSA-N 337.510 4.376 0 40 EIAB C[C@H](NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1 32930441 GGECUJSPRGOLGK-NSHDSACASA-N 325.380 4.160 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(C)cc2nc1C 32947845 VRYGXMVNXSZPAE-UHFFFAOYSA-N 346.430 4.453 0 40 EIAB Cc1nc2ccc(NC(=S)NCCC3=CCCCC3)cc2nc1C 33703716 XLBDKMIAHXUJPB-UHFFFAOYSA-N 340.496 4.424 0 40 EIAB CC[C@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)NC 35458725 RNCWKUCWPBNWOH-NXCCARGISA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1C(C)(C)C 36390511 SDDYUTYBFAEAHK-SCLBCKFNSA-N 325.408 4.151 0 40 EIAB COc1ccc(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 40119716 NCPOXJYZWHLJLL-UHFFFAOYSA-N 344.414 4.173 0 40 EIAB CC1=C[C@]2(Nc3ccccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40545557 IGLSWXZMDUBLNV-HXUWFJFHSA-N 331.375 4.134 0 40 EIAB CCCOc1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2c1 41096851 QALZCSYDKWVYSA-UHFFFAOYSA-N 347.480 4.049 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1cccc(OC(F)F)c1 46892330 INAPYZPHUSABIF-SECBINFHSA-N 327.277 4.057 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 48065038 ZIBLVNHYRNFLDJ-CEFACKQISA-N 342.395 4.047 0 40 EIAB CC(C)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1 48302391 CEUYNLFRPRCZPL-INIZCTEOSA-N 342.487 4.046 0 40 EIAB Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)c1 48989297 OJMVNUYRESOXBK-UHFFFAOYSA-N 347.447 4.257 0 40 EIAB NC(=O)/C(=C/c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 50549778 OUODLCMMKPDVKL-JXAWBTAJSA-N 339.398 4.256 0 40 EIAB COc1ccc(C2(C(=O)Nc3ccc(OC)c(C)c3)CCCC2)cc1 58824679 ZEOJRMNEQMEADW-UHFFFAOYSA-N 339.435 4.463 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1 62456935 QUROJAQEQROXKC-MRXNPFEDSA-N 343.452 4.100 0 40 EIAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(Cl)cc1 62576094 GUIBDQAZBKMPRN-UHFFFAOYSA-N 340.810 4.276 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 69634227 CHIJDLATCPBCSR-INIZCTEOSA-N 343.442 4.384 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)CSCc1ccc(C(C)C)cc1 69895346 QHZZXUVEITVQQO-UHFFFAOYSA-N 331.485 4.032 0 40 EIAB Cc1ncsc1CCSc1nnc2sc3ccccc3n12 73969555 OOSOTWXMTXWGBT-UHFFFAOYSA-N 332.479 4.044 0 40 EIAB CC(C)N(C(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CCC1 75145078 QOOKPYYCQGGIAE-UHFFFAOYSA-N 348.393 4.342 0 40 EIAB Cc1ccccc1NC(=O)Nc1ccc(OC[C@@H]2CCOC2)cc1 77178068 VKPYJJLJACXYNI-OAHLLOKOSA-N 326.396 4.054 0 40 EIAB CC(C)(C)c1nnc(CSCc2ccc(F)c3cccnc23)o1 95412880 DOIZPFILMVMAGZ-UHFFFAOYSA-N 331.416 4.488 0 40 EIAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl 95417742 RADUDUOUFXCBLR-XHDPSFHLSA-N 338.234 4.235 0 40 EIAB Cn1cnc2c(-c3ccccc3)nc(C3CCN(CC4CC4)CC3)cc21 96267109 RMAPPYVJPJAREN-UHFFFAOYSA-N 346.478 4.225 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1 101166958 USHIUJKTPUMJTC-QAPCUYQASA-N 328.412 4.069 0 40 EIAB Cn1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 214069429 TWBSPFXTTFVQCS-WOJGMQOQSA-N 348.427 4.415 0 40 EIAB Cc1c(C(N)=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 216948160 GDVRANHHPCJBEW-UHFFFAOYSA-N 333.218 4.404 0 40 EIAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2)cc1 219492966 HIQWUSHEQRANNG-QGZVFWFLSA-N 325.452 4.326 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3CC)N21 222718552 AJVIWDBHCLEBAW-FHLIZLRMSA-N 340.496 4.191 0 40 EIAB COCc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 223402048 YCZVKJJUAPUZGX-UHFFFAOYSA-N 329.465 4.322 0 40 EIAB O=C(OCc1cccc(Cl)c1)c1snnc1-c1ccccc1 223833908 ADIDEQYTNSYKAE-UHFFFAOYSA-N 330.796 4.216 0 40 EIAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(C)cc1 224125973 PBOCIORYFVINFO-UHFFFAOYSA-N 339.435 4.209 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225285491 CYUITTCRKNKYNX-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)Cc2ccccc2Cl)c1 225439154 PESSBEFEKPGKTR-UHFFFAOYSA-N 345.870 4.419 0 40 EIAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(OC)c(Cl)c1 225482801 ZRSLCZVXNGFJLM-UHFFFAOYSA-N 334.803 4.241 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1c2ccccc2C[C@H]1C 225545869 MIKXUDJNRSXCHP-CVEARBPZSA-N 335.447 4.311 0 40 EIAB COc1cc(NC(=O)c2cccc3ccccc23)cc2sc(N)nc12 226311531 LRSLJYXFVDFFGN-UHFFFAOYSA-N 349.415 4.293 0 40 EIAB Cc1nc(C2CCCCC2)sc1C(=O)N1CC[C@@H](O)CC12CCC2 564816254 AFYNUSIEHMVCAG-OAHLLOKOSA-N 348.512 4.019 0 40 EIAB Fc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c(Cl)c1 581039434 RKMMUSLLFHOSOW-KRWDZBQOSA-N 333.838 4.418 0 40 EIAB COc1cccc(CC(=O)NCC2CCC(c3ccccc3)CC2)c1 594526711 VIUSBOLZICXCLS-UHFFFAOYSA-N 337.463 4.328 0 40 EIAB CO[C@@H](CSc1nnc(-c2ccoc2C)o1)c1ccc(F)cc1 629097653 ULYKCMCHKQZPLE-AWEZNQCLSA-N 334.372 4.257 0 40 EIAB O=C(O)c1cc(=Nc2ccc(Cl)cc2)c2cccc(Cl)c2[nH]1 1889074447 YHBYQODEJONRNM-UHFFFAOYSA-N 333.174 4.405 0 40 EIAB CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 122920 BYKXWPDATNWAKX-UHFFFAOYSA-N 347.223 4.087 0 40 EIAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C)C2 127458 DZVFAJDEKVJQMA-LBPRGKRZSA-N 342.464 4.474 0 40 EIAB C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OC1CCCCC1 393987 HYOWHFTWLDKFIT-LLVKDONJSA-N 325.792 4.153 0 40 EIAB CCCc1nc(SCC(=O)OC(C)C)c2c(C)c(C)sc2n1 414024 CDHDSQJGJLZYID-UHFFFAOYSA-N 338.498 4.304 0 40 EIAB C[C@H]1CN=C(N(Cc2ccccc2)C(=S)Nc2ccccc2)S1 497769 SVFGJAXABSDAJX-AWEZNQCLSA-N 341.505 4.377 0 40 EIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1 568988 LNWXCRNVLVMETG-ZDUSSCGKSA-N 342.464 4.336 0 40 EIAB Cc1cc(C)cc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1 1369460 LUIMAEXUVBRBSM-WOJBJXKFSA-N 343.515 4.466 0 40 EIAB Cc1ccc2oc(=O)n(Cc3ccccc3OCCC(C)C)c2c1 1452887 VEAWIRNHRVCCQY-UHFFFAOYSA-N 325.408 4.376 0 40 EIAB O[C@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccco1 1615893 MZNWMCBGOMQURI-QETWGEEDSA-N 339.479 4.222 0 40 EIAB Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 1943857 IGEAVSGKASBSPS-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1 2752155 OSVKGCVKJJOXIL-UHFFFAOYSA-N 337.345 4.035 0 40 EIAB O=C(CSc1ccc(Br)cc1)N1CCc2ccccc21 3221800 JTRZUNFUEKEDSQ-UHFFFAOYSA-N 348.265 4.131 0 40 EIAB COc1cc(OC)c(NC(=O)C2(c3ccccc3)CC2)cc1Cl 3328344 JKWDAIMIKSIRKD-UHFFFAOYSA-N 331.799 4.028 0 40 EIAB O=c1[nH]c2ccccc2n1CCCOc1ccc(-c2ccccc2)cc1 3438536 WIRTVEQQPNBLTK-UHFFFAOYSA-N 344.414 4.466 0 40 EIAB Cc1c(C(=O)OCC(=O)c2ccc(Cl)s2)oc2ccccc12 3537339 QFOPAAIRRLSXRZ-UHFFFAOYSA-N 334.780 4.496 0 40 EIAB Cc1c(C(=O)C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2n1C 4062603 RPYYOQIVKFEOBS-UHFFFAOYSA-N 334.419 4.432 0 40 EIAB Cc1cc(C)c(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c(C)c1 4062667 QGPBUKRRLIOLIO-UHFFFAOYSA-N 334.419 4.233 0 40 EIAB CC[C@@H]1c2cc(OC)c(O)cc2[C@@H](c2ccc(O)c(OC)c2)[C@@H]1C 4683192 QSYFPBASFNGQSF-POEZALAKSA-N 328.408 4.390 0 40 EIAB CCCCCCC(=O)O[C@@H](COCc1ccccc1)CN(CC)CC 4837386 BNGLKZNQEZTDQU-HXUWFJFHSA-N 349.515 4.427 0 40 EIAB O=C(COc1ccccc1Cc1ccccc1)NCCc1ccccc1 5294679 ILVPFRKYELSTEE-UHFFFAOYSA-N 345.442 4.015 0 40 EIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br 5612463 WFVUWPAKGSXANP-UHFFFAOYSA-N 348.284 4.395 0 40 EIAB CCc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 6124619 PBYACHRBKLNCSQ-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB Cc1ccc(C2=Nc3ccc(Cl)cc3C(c3cccnc3)=NN2)cc1 6245052 MEFSLFURLWMTHK-UHFFFAOYSA-N 346.821 4.477 0 40 EIAB COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccccc2)ccc1Cl 6454417 ILJDMCLESPXRSH-NSHDSACASA-N 349.839 4.246 0 40 EIAB O=C(O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 6721549 CDKVZTVSOWIXSH-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB CCc1cccc(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2C)c1 7006588 DHHRJMUIERUCHB-UHFFFAOYSA-N 345.406 4.164 0 40 EIAB O=C(c1ccccc1OCCOc1ccccc1)N1CCCCCC1 8158180 PDBOMLXJZQLWPE-UHFFFAOYSA-N 339.435 4.161 0 40 EIAB CCn1/c(=N\C(=O)c2ccccc2F)sc2cccc(Cl)c21 8654203 LWESHQBYHWNTHH-KNTRCKAVSA-N 334.803 4.256 0 40 EIAB Cc1ccc(NC(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)c(C)c1 8990336 NDTQVQCGDXFEGI-HNNXBMFYSA-N 327.424 4.463 0 40 EIAB CCN(CCCNC(=O)c1ccc(F)cc1Cl)c1ccccc1 9920111 QOEFTJWVMQUURY-UHFFFAOYSA-N 334.822 4.126 0 40 EIAB c1csc([C@@H]2c3ccsc3CCN2CCc2ccncc2)c1 10909145 YKLYQHAHXYLHEW-SFHVURJKSA-N 326.490 4.395 0 40 EIAB Cc1cc(O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1Cl 11239257 WGGGKEYIHMSDPC-QGZVFWFLSA-N 333.790 4.186 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)C1(c2cccs2)CCCC1 12158013 NHFZVYAVKALMKV-UHFFFAOYSA-N 338.476 4.400 0 40 EIAB COc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC 12824614 BWWCQLKNNPTEOD-KRWDZBQOSA-N 327.424 4.221 0 40 EIAB COc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21 12908049 MIPNTVBGMXPWKI-CYBMUJFWSA-N 332.400 4.193 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc(OC)c1 12975479 FFDAPFZZVQLMHC-OZSKJFCKSA-N 327.449 4.306 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)CCc1ccccc1 13847371 AJLKPGVIAZYLOI-YJBOKZPZSA-N 329.415 4.121 0 40 EIAB Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC=CCC3)s2)cc1 14696013 HBUIIYDKVMYTRB-CQSZACIVSA-N 345.493 4.434 0 40 EIAB Cc1ccccc1CSc1nc(=O)n(C2CCCC2)c2c1CCC2 15840389 KQTBLLPBFRYSHE-UHFFFAOYSA-N 340.492 4.448 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@@H](C)C[C@@H](C)C1 18098766 YBMIVNGOUISOMT-TXEJJXNPSA-N 332.831 4.422 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN=C1c1ccccc1 19418503 PTGMULNIPQUYMJ-UHFFFAOYSA-N 334.206 4.288 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1Sc1ccccc1 20606143 MZOGGJRUPLRDAB-FTUNRGFVSA-N 347.439 4.149 0 40 EIAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1Cc2cc(Cl)ccc2O1 21902295 LAOFNADDKNAGND-AWEZNQCLSA-N 348.855 4.008 0 40 EIAB O=C(Nc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504180 XYCNDABGDLCFRP-UHFFFAOYSA-N 335.407 4.020 0 40 EIAB CCOC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(Cl)cc1 28218878 FPTRJSPPLNSVIB-INIZCTEOSA-N 344.842 4.486 0 40 EIAB biogenic,in-vitro CC1=CN(c2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)N=C1C 28526925 NMSMHNJPVDUFIW-UHFFFAOYSA-N 335.363 4.142 0 40 EIAB COc1ccc([C@@H](O)[C@@H](NCc2ccccc2)c2ccccc2)cc1 31961935 ZVOJPKQDEDCIGN-FCHUYYIVSA-N 333.431 4.260 0 40 EIAB CC(=O)c1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 32093114 MDWKMLLUAVQWDJ-UHFFFAOYSA-N 344.773 4.275 0 40 EIAB O=C(Nc1cccc(Cn2cccn2)c1)c1occc1-c1ccccc1 32469358 NPEGHHBIOICBBT-UHFFFAOYSA-N 343.386 4.444 0 40 EIAB CCc1ccc([C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C(C)C)cc1 32741330 NILBIJARUBNSFX-HXUWFJFHSA-N 348.446 4.218 0 40 EIAB COc1cccc2c1N(C(=O)c1csc(-c3ccco3)n1)CCC2 32827424 YEPSSLJDNKLWEO-UHFFFAOYSA-N 340.404 4.005 0 40 EIAB Cc1nc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3)c2)oc1C 33579376 RVASKSWSVNHCCT-OAHLLOKOSA-N 336.391 4.364 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2cccc(F)c2)C1 36354801 VUHXXNQUXOTXQK-CYBMUJFWSA-N 325.318 4.274 0 40 EIAB O=C(Nc1cccc2nsnc12)c1csc(-c2ccccc2)n1 38677126 GASJJVOCGNAHTA-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccn3)c12 44908397 PHQSGXXBNHEVTL-UHFFFAOYSA-N 349.438 4.019 0 40 EIAB CC(C)c1nc(CC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cs1 46745764 HCGBGSNEANXAIA-SWLSCSKDSA-N 332.469 4.184 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccc(F)cc1 57413729 XSJDWHZVVIWMLI-LLVKDONJSA-N 343.789 4.360 0 40 EIAB c1ccc(-n2cc(CNCc3ccsc3)c(-c3ccncc3)n2)cc1 57980102 AXRZFYALGKAASH-UHFFFAOYSA-N 346.459 4.286 0 40 EIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1C 63790277 AQLQMFSAOLWGCC-INIZCTEOSA-N 328.481 4.366 0 40 EIAB CSc1nnc(CNC(C)(C)c2ccc(F)cc2Cl)s1 69705441 DTWIPNVYBQETCB-UHFFFAOYSA-N 331.869 4.077 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 69744855 QKDLARGUJKTVGY-CQSZACIVSA-N 340.448 4.224 0 40 EIAB CS[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 69976983 PBDHKXLLWKTACB-LSDHHAIUSA-N 345.512 4.075 0 40 EIAB O=c1[nH]c(CCc2ccccc2)nc2scc(-c3cccs3)c12 71794321 NSYVAKBXDNXYBZ-UHFFFAOYSA-N 338.457 4.498 0 40 EIAB Cc1noc(C)c1CNc1cc(C(=O)N2CCCCC2)ccc1Cl 71896926 UZBWZCPGVXKMHQ-UHFFFAOYSA-N 347.846 4.183 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 72297219 FXBLWXYKIVVINK-LLVKDONJSA-N 337.876 4.268 0 40 EIAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccccc1 72337357 BTKMMJHOCAAXKY-AEFFLSMTSA-N 346.478 4.289 0 40 EIAB COc1ccccc1Oc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 95422262 BNCZZQPBKWYWQX-HNNXBMFYSA-N 337.423 4.072 0 40 EIAB Cc1ccc([C@@H](CC(=O)O)NCc2cccc(Br)c2)cc1 95997735 ISFCVEJWKNMIGR-MRXNPFEDSA-N 348.240 4.063 0 40 EIAB CC[C@@](C)(NC(=O)Nc1cccc(OC(F)F)c1)c1nccs1 96417961 RUIDIODKHDXKTL-OAHLLOKOSA-N 341.383 4.191 0 40 EIAB C[C@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 96477592 XKJGTGKOJDMYJT-KGLIPLIRSA-N 348.487 4.260 0 40 EIAB O=C(O)C12C[C@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 100210188 GLJDZZQQPFAEPQ-RDLSHOLPSA-N 330.268 4.193 0 40 EIAB CCCO[C@@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 108233668 PHGFYWKSEPKBGR-MRXNPFEDSA-N 346.858 4.310 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 113968923 ZXJQAQAXSQCDFQ-AWEZNQCLSA-N 347.842 4.131 0 40 EIAB Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)c1cc2ccccc2o1 156485817 HODBUUSOWYJOIR-NEPJUHHUSA-N 341.411 4.202 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)o1 214078842 YURZMJVQQXAKGR-RIYZIHGNSA-N 333.796 4.478 0 40 EIAB Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 222762430 JONNIIMFLXCIGY-SFHVURJKSA-N 339.435 4.101 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 222813731 NRYVWPQWEGLAKH-KBXCAEBGSA-N 329.415 4.423 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1 224410141 URLQGAIXGDMFKB-QGZVFWFLSA-N 337.463 4.082 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccc(Cl)cc1 224433117 ZKUMJHBURWBUKI-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OCC 224696662 ZPWLJNDVTJKJDC-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB COc1ccc(CCC(=O)Nc2ccccc2OC(C)C)cc1C 225484518 NYLQDASONPJLDM-UHFFFAOYSA-N 327.424 4.362 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)NC2CCCCCCC2)c1 225517362 ONFPEWCXAVNMKY-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cn1 225910623 JJLBGVMPRFRGJA-BEFAXECRSA-N 334.460 4.184 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)c(Cl)c1 226284853 QQHUGGXVZYFTQP-UHFFFAOYSA-N 348.796 4.492 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)O[C@@H]2CCC[C@@H]12 257218521 DDLBQXCVKDXRII-AEAUEXCSSA-N 328.239 4.128 0 40 EIAB CCc1noc(C)c1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 371610942 HJEOMXKDUPHNJZ-PCUGXKRQSA-N 325.412 4.255 0 40 EIAB O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1 500900792 TZNKAGOHDABQEE-HZPDHXFCSA-N 335.407 4.126 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](C)Oc1ccccc1 575620765 LZOYOSMABYTEKZ-GJZGRUSLSA-N 339.460 4.416 0 40 EIAB Cc1ccc(-c2noc([C@@H](c3ccccc3)N3CCCCC3=O)n2)cc1 585133663 PTONVTMACLPJGL-LJQANCHMSA-N 347.418 4.147 0 40 EIAB O=C(c1cccc(-n2cccc2)c1)N1Cc2ccccc2C(F)(F)C1 1519088551 NSWZRHXENSSWLC-UHFFFAOYSA-N 338.357 4.225 0 40 EIAB O=C(c1cc(Cl)ccc1F)N1CCCC[C@@H]1[C@H](O)c1ccccc1 1640363054 AOKLEGLMAUXALA-QZTJIDSGSA-N 347.817 4.207 0 40 EIAB O=C(CCF)N1CCC2(CC1)C[C@@H](c1ccccc1)c1ccccc12 2055745716 WPFDKGUCKKSYBQ-IBGZPJMESA-N 337.438 4.442 0 40 EIAB S=C1NC(c2ccc(Br)cc2)=C[C@H](c2ccccc2)N1 86549 KFOQILNOENBZMU-CQSZACIVSA-N 345.265 4.009 0 40 EIAB CC(C)c1cccc(C(C)C)c1N1C(=O)C(Cl)=C(Cl)C1=O 164362 XXWBDWNQAPHDTN-UHFFFAOYSA-N 326.223 4.496 0 40 EIAB O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cccs1 280551 BPBABLDURKTXBF-UHFFFAOYSA-N 337.360 4.310 0 40 EIAB Cc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 571579 OWZLHGMGROHCEZ-UHFFFAOYSA-N 344.263 4.268 0 40 EIAB CC(C)CN(C(=O)C1CCC1)c1nnc(-c2cccc(F)c2)s1 1345503 FRDNAQDELJUJOC-UHFFFAOYSA-N 333.432 4.133 0 40 EIAB CCn1c(NCc2ccc(Br)cc2)nc2ccccc21 2478053 SEJKMCGLOVSKCJ-UHFFFAOYSA-N 330.229 4.431 0 40 EIAB CC(C)(C)C(=O)n1cc(-c2ncc(C(F)(F)F)cc2Cl)cn1 3133269 KNFYPIQEAHJNOP-UHFFFAOYSA-N 331.725 4.304 0 40 EIAB C[C@H]1CC[C@@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@@H]1C 3188993 HSYKUCUHSYQGQW-XHNCKOQMSA-N 335.288 4.421 0 40 EIAB O=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1 3561710 BFHNXJOPQXZEKI-UHFFFAOYSA-N 349.415 4.124 0 40 EIAB CC1=C2C[C@@H]3[C@@H](CN4CCC(C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4028560 BBDDLXJVGOEGNB-VGUOSERISA-N 331.500 4.177 0 40 EIAB biogenic CC(C)(C)c1ccc(OCc2nc(N)nc(Nc3ccccc3)n2)cc1 4615043 PVQDXPFCPXTODN-UHFFFAOYSA-N 349.438 4.074 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136401 XOERLHAVCKTJHZ-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB Cc1ccc(NC(=O)CCc2ccccc2)cc1N1CCCCC1=O 5441777 IKCDBGJDSSBBAE-UHFFFAOYSA-N 336.435 4.083 0 40 EIAB Oc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 5819122 ZKEQMVJNNJTSCB-UHFFFAOYSA-N 347.168 4.043 0 40 EIAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 6061802 AJRSJZHAZOLRQA-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@@H](NC1CCCCC1)c1ccccc1 6640035 AVCFCIONZNYWDA-IBGZPJMESA-N 326.415 4.428 0 40 EIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1CCCCC1 6908432 HVMTWTJJQNWWIV-JTQLQIEISA-N 337.876 4.146 0 40 EIAB C[C@@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc2ccccc2c1 7108321 CPXHCZDUOLUZTF-CQSZACIVSA-N 325.408 4.290 0 40 EIAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3F)cc2s1 7242028 GPHCFKZLPPDLSH-SNVBAGLBSA-N 329.400 4.183 0 40 EIAB CSc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 8024132 UMQCVAQOGBZUEP-LBPRGKRZSA-N 333.840 4.252 0 40 EIAB CCOc1cccc2cc([C@H](C)NC(=O)Cc3cccs3)oc12 8328671 FVJCPVOERIJMCT-LBPRGKRZSA-N 329.421 4.313 0 40 EIAB CSc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 8496876 UTAAOTKGOKUHBW-UHFFFAOYSA-N 328.466 4.073 0 40 EIAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(C)cc2)c1 8915711 KUQUIPLXBDLOGQ-UHFFFAOYSA-N 337.379 4.086 0 40 EIAB CC(C)[C@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)OCCCO2 9077117 ZCVHGXRQVMOWOD-IBGZPJMESA-N 340.423 4.367 0 40 EIAB Cc1cc(OCC(=O)Nc2cccc(OC(C)C)c2)ccc1Cl 10715418 NCBHQXZLFFJYIL-UHFFFAOYSA-N 333.815 4.453 0 40 EIAB Cc1cc(C(=O)COc2ccc(Cl)cc2)c(C)n1-c1nccs1 12899387 OILJQUNKJLYVKX-UHFFFAOYSA-N 346.839 4.466 0 40 EIAB C[C@@H](Oc1ccccc1)c1nnc(SCc2ccc(F)cc2)n1C 13849323 CCSRLSKAVPXXOJ-CYBMUJFWSA-N 343.427 4.387 0 40 EIAB Cc1nc(C)c(C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)s1 19560346 VLLZCVFWLVLISA-OWSLCNJRSA-N 340.492 4.462 0 40 EIAB CC1=C(C)[C@H](NCCC(C)C)N([C@@H](C)CCc2ccccc2)C1=O 20058018 MZTCODXPKOUUBM-OXJNMPFZSA-N 328.500 4.148 0 40 EIAB C=C1c2ccccc2NC(=O)N1C[C@@H](c1cccs1)N1CCCC1 25057165 HWZCTTUNRVLBSU-KRWDZBQOSA-N 339.464 4.403 0 40 EIAB CCCOc1ccccc1C(=O)Nc1ccnn1Cc1ccc(C)cc1 28292232 GGFIPTHCTQZCNX-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB CN(Cc1cccs1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 31347681 HDTMXAVYPGCYMB-UHFFFAOYSA-N 330.453 4.005 0 40 EIAB COc1ccc2c(c1)[C@H](C)N(C(=O)c1cccc(-n3cccc3)c1)CC2 40665703 WWSBBTKLOAEEJL-INIZCTEOSA-N 346.430 4.245 0 40 EIAB COc1ccc2c(CN3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 54670003 DGNDDRSTROUEAX-IBGZPJMESA-N 335.403 4.139 0 40 EIAB CN(C(=O)/C=C/c1c(Cl)nc2sccn12)C1CCCCCC1 58404050 BAFQZNURTJHYGR-CMDGGOBGSA-N 337.876 4.244 0 40 EIAB Cc1cc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)ccc1C(C)C 72427515 QSXNZAMSEHGYOJ-UHFFFAOYSA-N 335.407 4.466 0 40 EIAB CCOc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1 84809284 HVGSBCPEFIZFHU-UHFFFAOYSA-N 343.423 4.138 0 40 EIAB COc1ccccc1-c1nnc(CNc2cccc3c2CCCC3)o1 95414805 YQELAXIZMODTJZ-UHFFFAOYSA-N 335.407 4.236 0 40 EIAB Cc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)sc1C 95968780 HYZZAHPORYEQDE-CYBMUJFWSA-N 326.469 4.105 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[C@@H]1c1ccccc1 96405404 DOMMBJTYHAWKDR-RTBURBONSA-N 346.430 4.194 0 40 EIAB Cc1cccnc1CNC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 96447343 WOSCYDYHNBJYFL-INIZCTEOSA-N 346.434 4.012 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 100069895 VFLQXXOFHCXXCN-AHCXZYCDSA-N 339.822 4.132 0 40 EIAB C[C@]12CCC3=NCCCN3C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 104182869 MCRLPGBGURQZIL-ABKWMHQRSA-N 342.527 4.372 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)OCCO4 119280699 IDOHVJIGNBUAFN-ADVLRGOMSA-N 334.500 4.133 0 40 EIAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222589225 APLYOUDTQPHMQJ-JQFCIGGWSA-N 326.469 4.053 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC)c3)N21 222641356 AVGZLDJGSSZSAZ-BMGDILEWSA-N 339.464 4.070 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219955 LZQNOIHLSGRTKN-VLIAUNLRSA-N 341.426 4.349 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NC[C@@H](C)c2ccccc2)c1 223401054 QLCXHJKELWORFD-QGZVFWFLSA-N 327.493 4.457 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223443985 ZQAQKFKEELMJKG-IAGOWNOFSA-N 341.451 4.265 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1C 225468571 CGTCDGZJUSKFEQ-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB Brc1cncc(-c2nc3cc(-n4cccc4)ccc3o2)c1 226246849 LPQZLZHOBGMOHK-UHFFFAOYSA-N 340.180 4.443 0 40 EIAB C[C@@H]1CC[C@]2(CO)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CCc1ccoc1 238780054 PHKSUFCCGLWIMC-JRJVTICQSA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc(SC)c1 1565524638 PZGCUJKNJOZTOF-UHFFFAOYSA-N 343.477 4.470 0 40 EIAB CCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1 45226 WDVZNOBMOMQVBV-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc(O)c1 131527 QKOJWDVRYTYXNA-UHFFFAOYSA-N 336.391 4.423 0 40 EIAB COc1nc(SC)nc(Cl)c1Cc1ccc(OC(C)C)cc1 379481 SIOVMEHWMQQJJO-UHFFFAOYSA-N 338.860 4.239 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2nc3c(Cl)cccc3s2)c1 558569 WGHUHLXMXDZJBH-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB CCOc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1OCC 2550681 OEZMIHJUGHGZQO-UHFFFAOYSA-N 327.424 4.282 0 40 EIAB c1ccc(CNc2nnc(SCCOc3ccccc3)s2)cc1 2618946 CDOZARJCSZQAOH-UHFFFAOYSA-N 343.477 4.321 0 40 EIAB CC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 2644842 BKXDHOBRWBCNOO-UHFFFAOYSA-N 331.437 4.122 0 40 EIAB CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 2746039 DEIZAXJMPHCAMO-UHFFFAOYSA-N 333.409 4.039 0 40 EIAB O=C(O)c1ccc2cc(Br)ccc2c1Br 3099346 SGTZWMPXSVWXOP-UHFFFAOYSA-N 329.975 4.063 0 40 EIAB COc1cccc(CC(=O)NC(c2ccccc2)c2ccccc2)c1 3615347 DEXRYYYPTQQGHU-UHFFFAOYSA-N 331.415 4.144 0 40 EIAB COCCn1c(SCCC(C)C)nnc1-c1c[nH]c2ccccc12 4138641 PRKIVRZLNMLHNU-UHFFFAOYSA-N 344.484 4.211 0 40 EIAB O=Cc1ccc(OCCCCCCOc2ccc(C=O)cc2)cc1 4566132 ZSIVOFNVHLOMBY-UHFFFAOYSA-N 326.392 4.330 0 40 EIAB Cc1ccc(C)c(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 5319178 GKPODHKSZYDZPU-CYBMUJFWSA-N 338.476 4.248 0 40 EIAB CCCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 6073257 MVTIAUNACZICNY-UHFFFAOYSA-N 330.384 4.477 0 40 EIAB O[C@H](CNc1ccccc1Cl)COc1ccc(Cl)cc1Cl 6513922 NTOMUOVBXCNTBX-LLVKDONJSA-N 346.641 4.499 0 40 EIAB CC(C)CCN[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7738585 MMMLINKOVFSOMY-CYBMUJFWSA-N 341.480 4.348 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)N1CCCSc2ccccc21 8036259 CRPWMUIAGFPKPG-ZHACJKMWSA-N 336.416 4.370 0 40 EIAB O=C(O)/C(=C/c1ccc2ccccc2n1)Cc1ccc2ccccc2n1 8581362 KWACQLPMMSJLIC-GHRIWEEISA-N 340.382 4.494 0 40 EIAB CCc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 10281704 SOZYEHRSZHYSDG-UHFFFAOYSA-N 336.479 4.165 0 40 EIAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)c(Cl)c1 10402695 NWCXYOLWPSNWQC-JTQLQIEISA-N 349.221 4.357 0 40 EIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1 10404240 NBNZAGGTIMQVMS-UHFFFAOYSA-N 346.814 4.165 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)Cc1c[nH]c2ccccc12 11770284 OFXDZCRYSMYSNZ-UHFFFAOYSA-N 333.435 4.258 0 40 EIAB COc1cccc(CN2[C@H]3CC[C@@H]2c2cnc(C(C)C)nc2C3)c1F 12188167 FUXJCRWCZHLDFK-WMLDXEAASA-N 341.430 4.010 0 40 EIAB COc1ccc2cc(CNc3cccc4ccccc34)c(=O)[nH]c2c1 12493353 YNPSCUXQRDTZTH-UHFFFAOYSA-N 330.387 4.302 0 40 EIAB CCc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12556278 UNBIFQHKFHOUQP-UHFFFAOYSA-N 341.411 4.489 0 40 EIAB FC(F)(F)Oc1ccc(CSc2nnc(NC3CC3)s2)cc1 12996308 HCTUUQKKVPMOKO-UHFFFAOYSA-N 347.387 4.303 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSC1CCCCC1 13709830 HJLRHJDFKBNHLH-ZDUSSCGKSA-N 341.904 4.289 0 40 EIAB CC(=O)c1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 14094153 QKUFCTFYCAUZJO-UHFFFAOYSA-N 342.445 4.255 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2c(cc1Cl)OCO2 14198691 AYOVHCPDKCFZSH-ZZXKWVIFSA-N 336.174 4.374 0 40 EIAB CSc1nc2ccc(NC(=O)/C=C/c3csc(C)n3)cc2s1 14328573 JFJYUGQDBYRLDB-GQCTYLIASA-N 347.490 4.435 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 15519703 KTMBZXGORUROAD-CHWSQXEVSA-N 333.428 4.192 0 40 EIAB COc1ccc(-c2nc(CNC(=O)c3ccccc3C)cs2)cc1 15832632 ULVRCJXFZYRVIV-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB Cc1c(C(=O)N2CCCCCC2)sc2nc(-c3ccccc3)cn12 16740397 UUHOIJQKOCVCBA-UHFFFAOYSA-N 339.464 4.387 0 40 EIAB COc1cc2ncnc(SCc3ccc(F)cc3)c2cc1OC 19956999 SADWYNQRFRBKHU-UHFFFAOYSA-N 330.384 4.078 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 20453040 DXTQNJJSACCPCJ-QGZVFWFLSA-N 343.492 4.288 0 40 EIAB COc1ccc(C2(CNC(=O)Cc3ccc(F)cc3)CCCC2)cc1 21691194 HFCCPPCTQLUZOE-UHFFFAOYSA-N 341.426 4.005 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCCc2ccccc21 22524590 AYJXXLCLLKBHNC-DYVFJYSZSA-N 329.827 4.301 0 40 EIAB O=C(NCc1ccccc1CN1CCCC1)Nc1ccc(Cl)cc1 24367201 BFRXYMRQMNWQCU-UHFFFAOYSA-N 343.858 4.258 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(-c2nnco2)c1 24744015 NFEPWBOMUDDMAR-UHFFFAOYSA-N 346.390 4.179 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2cc(-c3cccs3)on2)n1 25447320 VCGDDDRJVDOTFI-UHFFFAOYSA-N 333.438 4.409 0 40 EIAB CCOc1ccccc1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 27970833 LPDCBHHHRDMFFG-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CC(=O)c1c(C)cc(C)c(Cn2cc(C(F)(F)F)ccc2=O)c1C 28186120 QAIZKUKQAMXBMA-UHFFFAOYSA-N 337.341 4.043 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1c2ccccc2C[C@H]1C 30863212 WLVQIAIMKYYCTI-FZKQIMNGSA-N 329.827 4.475 0 40 EIAB Cc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c(C)c1 32930397 NXJLPUBSLYETIZ-UHFFFAOYSA-N 346.430 4.207 0 40 EIAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccc(F)cc1 36359963 SHXPUIMXDZXZFC-OAHLLOKOSA-N 337.354 4.144 0 40 EIAB C[C@H](CNc1ncnc2sc(-c3ccccc3)cc12)Cn1cccn1 36393985 ULDGGSDIJGXKLO-CQSZACIVSA-N 349.463 4.303 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSC1CCCCC1 44899694 LWODUNQGHWEZOP-GOSISDBHSA-N 335.513 4.335 0 40 EIAB O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccsc1 44952025 BQKPRYZTPACPOY-INIZCTEOSA-N 342.468 4.112 0 40 EIAB CCCOc1ccc([C@H](C)NC(=O)c2ccc(C)s2)cc1OC 48500829 FPFSEMUKSYTAOZ-ZDUSSCGKSA-N 333.453 4.345 0 40 EIAB CCCOc1ccc(C(=O)OCC[C@H]2CCCN3CCCC[C@H]23)cc1 51330957 FWXSOJYBKRVMJS-YLJYHZDGSA-N 345.483 4.287 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1 57314131 HTRCAORCDVRZGQ-UHFFFAOYSA-N 349.459 4.232 0 40 EIAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1c(F)cccc1F 57369065 KVAAIDFALHRVAE-ZDUSSCGKSA-N 347.361 4.165 0 40 EIAB C[C@H](OC(=O)C[C@H]1C(=O)Nc2ccccc21)c1cccc(Cl)c1 58348075 DJCWYTFKBQCXQL-XHDPSFHLSA-N 329.783 4.070 0 40 EIAB O=C(/C=C/c1cccc2cccnc12)NC[C@H]1CCCc2ccccc21 58416468 GTJLONVLCIEGTK-FBRRREGBSA-N 342.442 4.484 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1c[nH]nc1-c1ccc(F)cc1 71280163 UYZPBHLWXFBGKP-ZDUSSCGKSA-N 339.374 4.117 0 40 EIAB Cc1nc([C@@H](C)NC(=O)NCc2cccc(C(F)(F)F)c2)cs1 71886627 FUHQVSUNDSNBFR-SECBINFHSA-N 343.374 4.031 0 40 EIAB Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1C 72227883 QAEKGBLJTWGMJU-HOTGVXAUSA-N 335.234 4.025 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 72329190 WXAPCWLJQMAMKQ-INIZCTEOSA-N 347.462 4.390 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1C 72414238 MBDDNSHUUWHHGN-UHFFFAOYSA-N 340.448 4.269 0 40 EIAB Cc1cccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1C 72427505 FQQIIOBXJWNGMT-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB CCSc1cncc(N[C@@H](C)c2ccc(-c3cncnc3)cc2)n1 75064319 BKKMUWFELUVHCN-ZDUSSCGKSA-N 337.452 4.219 0 40 EIAB CCC[C@H]1CCCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 78716904 JWQNKNGDCVWIIM-AWEZNQCLSA-N 328.416 4.171 0 40 EIAB CC(C)(O)C(C)(C)NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 95458492 IJDLNWLAQUFZGN-UHFFFAOYSA-N 349.377 4.036 0 40 EIAB c1ccc([C@@H]2CCc3nc(CN4CCCSCC4)sc3C2)cc1 96003598 WEVDSMHHZQZKNC-MRXNPFEDSA-N 344.549 4.355 0 40 EIAB CC[C@](CNC(=O)C12CC3CC(CC(C3)C1)C2)(OC)c1ccccc1 96123713 AVBOXZBGDJWMPK-KORFMFPHSA-N 341.495 4.271 0 40 EIAB COC(=O)[C@@H](Sc1nnc(-c2sccc2C)o1)c1ccccc1 96409790 IDCXKHAFIJNCKR-ZDUSSCGKSA-N 346.433 4.113 0 40 EIAB CC(C)n1cc([C@H](C)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cn1 96478407 FMSNPGKCZILYJI-BXWFABGCSA-N 346.544 4.259 0 40 EIAB CCCOc1ccc(Cl)cc1C(=O)CC(=O)c1ccccc1O 113704291 CUFWOOSLVCGEJQ-UHFFFAOYSA-N 332.783 4.290 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1 113960329 ZBEOKRIOLANFHG-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB O=C(c1ccc2[nH]ccc2c1)N1CCS[C@H](c2ccccc2)CC1 208041671 JXYCTULTCQDTJQ-IBGZPJMESA-N 336.460 4.488 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)c1 223748207 LIEQOZNGEBUGKG-UHFFFAOYSA-N 331.481 4.079 0 40 EIAB COCc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 224426374 CUUCQYSXQGWSMW-INIZCTEOSA-N 327.424 4.164 0 40 EIAB CC(C)Oc1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 224660805 CIVMZROFJUMGSK-UHFFFAOYSA-N 345.870 4.419 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1C 225013813 LAZWGWIAAASHEW-UHFFFAOYSA-N 339.435 4.360 0 40 EIAB COc1ccc2cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc2c1 225108847 VOJHVVHRRDCFDT-UHFFFAOYSA-N 349.496 4.342 0 40 EIAB COc1ccc(CCC(=O)NCCCc2ccc(Cl)cc2)cc1 225316310 JRFCTFSAOJDPLM-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C(F)(F)F 225835360 PHSGSSDZQNBFDW-INIZCTEOSA-N 345.361 4.248 0 40 EIAB O=C1S/C(=C/c2ccsc2)C(=O)N1CCCc1ccccc1 409138534 DGMYCFYAWSSNFL-RVDMUPIBSA-N 329.446 4.417 0 40 EIAB O=C(c1cc2ccccc2s1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149074 UMBBZCDVZUOJBN-KRWDZBQOSA-N 349.455 4.466 0 40 EIAB c1ccc(-c2c3c(nc4ccccc24)CCN(c2cnccn2)C3)cc1 603924131 ZULGZIJIDXLYNE-UHFFFAOYSA-N 338.414 4.255 0 40 EIAB Cc1ccc(CCCN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 1643056433 DROLLXKCLBOZJO-DNVJHFABSA-N 335.491 4.432 0 40 EIAB O=C(NC1CCCCC1)c1cc(-c2ccccn2)nc2ccccc12 217198 GQRGCYKCDMQXEZ-UHFFFAOYSA-N 331.419 4.359 0 40 EIAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1 424114 LDGPMFQEVQKWNJ-UZYVYHOESA-N 347.399 4.374 0 40 EIAB Cc1cc2ccccc2n1CCNC(=O)c1cccc(C(F)(F)F)c1 427882 DNUKZSCXISPQIS-UHFFFAOYSA-N 346.352 4.399 0 40 EIAB Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2Cl)s1 1462062 WTZLTBQQDWTWOM-UHFFFAOYSA-N 329.812 4.298 0 40 EIAB CCCCCOc1ccc(/C=C/C(=O)NCc2ccco2)cc1OC 1799558 RPMGWJAVJCNHBQ-PKNBQFBNSA-N 343.423 4.187 0 40 EIAB biogenic CC[C@H](CN(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1 2023263 MLDAYGZPPRLGLE-HXUWFJFHSA-N 339.479 4.482 0 40 EIAB CC(C)CC[C@@H](CCNC1CCN(C)CC1)c1ccc2c(c1)OCO2 2208783 PGDITDMWDRQRTE-KRWDZBQOSA-N 346.515 4.009 0 40 EIAB O[C@@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F 3847608 YYCKRUDDFXWNPC-ZETCQYMHSA-N 337.950 4.219 0 40 EIAB biogenic O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccco1 4077252 ILHCRMLVFFJWCQ-UHFFFAOYSA-N 345.811 4.118 0 40 EIAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)[nH]c2c1 4252439 VIFAKUHVEMIOSU-VIFPVBQESA-N 348.374 4.213 0 40 EIAB CSc1nsc(SCC(=O)Nc2cccc3ccccc23)n1 4502725 FOQSSEINWCESNM-UHFFFAOYSA-N 347.490 4.144 0 40 EIAB Cc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)nn1Cc1ccc(F)cc1 4785378 HHTMCDYGMLPOFK-GVDBMIGSSA-N 341.430 4.144 0 40 EIAB O=C(CSc1ccc2ccccc2n1)NCc1ccccc1Cl 5627378 NICIHSDLRYJNBF-UHFFFAOYSA-N 342.851 4.297 0 40 EIAB CCOC(=O)[C@]1(C)C(=O)C[C@@H](c2ccccc2)C[C@H]1c1ccccc1 5707123 DFOTVZLOJCXIMY-IPJJNNNSSA-N 336.431 4.486 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 7683960 BRWNJYQHKGQRFI-UHFFFAOYSA-N 338.432 4.390 0 40 EIAB COc1cccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 7706061 BXLMZTYENUZUBY-GFCCVEGCSA-N 326.421 4.138 0 40 EIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(F)cc1F 8777864 FRCVLUWKKJIWRF-UHFFFAOYSA-N 339.725 4.032 0 40 EIAB CC(C)(C)C(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1O 9140367 MTOWHBGONWRKTB-UHFFFAOYSA-N 342.892 4.202 0 40 EIAB COc1ccc(C(C)=O)c(OCc2ncc(-c3ccc(F)cc3)o2)c1 9482040 HYPCZRWFGPBPDU-UHFFFAOYSA-N 341.338 4.271 0 40 EIAB CCOc1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 10272975 PIYGIFAXUZMBAO-UHFFFAOYSA-N 332.363 4.192 0 40 EIAB O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(Br)c1 11202642 RFDXSFNZCDSTHA-MRXNPFEDSA-N 330.225 4.330 0 40 EIAB COc1ccccc1Cn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1N 11692091 AUPYMSBCBQTTIU-UHFFFAOYSA-N 346.434 4.287 0 40 EIAB Cc1nc2c(c(SCC(=O)Nc3ccccc3C(C)C)n1)CCC2 12016822 PWSYNNYJXGHPMH-UHFFFAOYSA-N 341.480 4.128 0 40 EIAB Cc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)c1 15883089 AWCDHAMBINQTJL-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB C[C@H](NCc1cccc2cccnc12)c1ccc(-n2ccnc2)cc1 23625031 ZJKQOGCKAOYQDK-INIZCTEOSA-N 328.419 4.271 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccccc1 23679476 FQVJGMAUCPYAGG-GFCCVEGCSA-N 340.404 4.084 0 40 EIAB CCN1CCc2nc3ccccc3c(C(=O)Oc3cccc(C)c3)c2C1 23990092 BNHDAGZTRNXOKX-UHFFFAOYSA-N 346.430 4.140 0 40 EIAB CC[C@H](C(=O)Nc1cccc(NC(=O)NC(C)C)c1)c1ccccc1 24548732 WUIKTJPBWZVSNT-SFHVURJKSA-N 339.439 4.349 0 40 EIAB OCCSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1 24938734 IIIHHGMZSXGHSR-UHFFFAOYSA-N 330.840 4.277 0 40 EIAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(N2CCCCC2)cc1 36621608 UFTZZQKNQBGJOD-HXUWFJFHSA-N 335.403 4.161 0 40 EIAB COc1ccc(CCNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 40068694 AEBZBKXVHJZKQU-CQSZACIVSA-N 346.858 4.294 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1cc(Cl)ccc1OC 43214383 NTBVBYKCPCCRQE-UHFFFAOYSA-N 326.820 4.435 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 44902675 XVSGKNWHVYGFCZ-IBGZPJMESA-N 341.451 4.176 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)N[C@@H]1CCOc2ccccc21 45552112 USMNKRPVFNTAEV-CVEARBPZSA-N 340.448 4.047 0 40 EIAB O=C(CCCc1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 47073948 BDTZLPITTXHNDE-UHFFFAOYSA-N 345.446 4.202 0 40 EIAB Cc1ncc(-c2ccc(NC(=O)c3cc(C)n(C(C)(C)C)n3)cc2)o1 52426507 OMSZYIJJMZLLQA-UHFFFAOYSA-N 338.411 4.162 0 40 EIAB Cc1nc2c(cc(OCC(=O)NCC3CCC3)c3ccsc32)s1 58377518 RZWHRBLMJWLSFW-UHFFFAOYSA-N 346.477 4.115 0 40 EIAB Cc1ncc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1 63474822 CVICRIIQWDFAQB-UHFFFAOYSA-N 335.860 4.348 0 40 EIAB c1ccc2c(OCCN3CCC(N4CCCCC4)CC3)cccc2c1 65041109 KMQDMJOJAYXPSQ-UHFFFAOYSA-N 338.495 4.169 0 40 EIAB Cc1nc(/C=C/C(=O)Nc2[nH]ncc2-c2cccc(Cl)c2)cs1 69567266 ZNNFUCKEMRRMIW-AATRIKPKSA-N 344.827 4.147 0 40 EIAB Clc1cccc(-c2nnc(CSc3nccn3C3CC3)o2)c1 69600772 ICRSCRIOGKVCGT-UHFFFAOYSA-N 332.816 4.214 0 40 EIAB CCOC(=O)c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 71873573 ZHCKNTQVAYRVIF-UHFFFAOYSA-N 338.329 4.010 0 40 EIAB Nc1nc(-c2cccc(F)c2)cc(-c2cccc(Br)c2)n1 71978047 QUQNSCURELKIKB-UHFFFAOYSA-N 344.187 4.294 0 40 EIAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3cccs3)cs2)n1 72243203 KBETYGAGRSBEPY-UHFFFAOYSA-N 345.493 4.110 0 40 EIAB Cn1cc(CCC(=O)Nc2ccc(C(F)(F)F)nc2)c2ccccc21 79483907 HGIMEXMUMUUPTL-UHFFFAOYSA-N 347.340 4.163 0 40 EIAB Cn1c2ccccc2n2c(SCc3ccc4ccccc4n3)nnc12 80305671 LGTWUVOWTAPDFW-UHFFFAOYSA-N 345.431 4.062 0 40 EIAB S=C(NCc1cccs1)NC1CCC(c2ccccc2)CC1 84525483 UKEBDQRUKBEOEI-UHFFFAOYSA-N 330.522 4.439 0 40 EIAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 84544365 KZKZRVLFOMHLOG-IAGOWNOFSA-N 335.875 4.107 0 40 EIAB O=[S@](Cc1cccc(Cl)c1)Cc1csc([C@H]2CCCO2)n1 95442866 IPAQWOLVPFCIHC-SZNDQCEHSA-N 341.885 4.097 0 40 EIAB Cc1ccc(CN2CCCC3(CCN(Cc4cccnc4)CC3)C2)cc1 96047381 PVKSZVIRKPMQLP-UHFFFAOYSA-N 349.522 4.268 0 40 EIAB CO[C@@H](CNC(=O)CCc1cccc(Cl)c1)c1ccccc1C 96389247 AVOBKMFDBJLHCP-SFHVURJKSA-N 331.843 4.085 0 40 EIAB Cc1cc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)ccc1F 101274216 CTJCFPIHLZNFTC-MAUKXSAKSA-N 328.412 4.069 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccsc1)N1CCC[C@@H]2CCCC[C@@H]21 106075168 GDZVJUURFDGLOS-JQHSSLGASA-N 332.513 4.066 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C(C)C 108849851 LPLBSHKIEAEEOC-YLAKUSLOSA-N 329.484 4.438 0 40 EIAB COc1ccc(CC(=O)c2c[nH]c3cc(Cl)ccc23)cc1OC 199735274 ZUHUXLBLKFMRNF-UHFFFAOYSA-N 329.783 4.264 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 218967328 NMBLMDPXMLYEOL-GOSISDBHSA-N 325.452 4.485 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222950522 GUXBOWKRRCAFTK-INIZCTEOSA-N 343.492 4.054 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 223735156 IAVJUIPUMBBWCT-UHFFFAOYSA-N 339.479 4.339 0 40 EIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 224324637 HSDCDYSHIYNBSO-OALUTQOASA-N 348.475 4.149 0 40 EIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 225887198 XCYYDUVXFPKOQD-LJQANCHMSA-N 330.428 4.167 0 40 EIAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nc2c1 248382681 XSTKPWRQUPPZCW-QAETUUGQSA-N 339.483 4.053 0 40 EIAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)ccn1 257251197 JPVBUIVDPOJIJR-FQEVSTJZSA-N 345.446 4.176 0 40 EIAB CC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408679213 VKBSTVFWVVZRDS-OAHLLOKOSA-N 334.419 4.012 0 40 EIAB CC1=N/C(=C/c2ccccc2OCc2cccc(Cl)c2)C(=O)O1 408819964 SCPDSPLTMCUMFF-MHWRWJLKSA-N 327.767 4.235 0 40 EIAB CCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409067908 RITSNZVBHNAOTO-JLHYYAGUSA-N 331.418 4.487 0 40 EIAB COCC1(C(=O)Nc2cnc3c(F)c(F)ccc3c2)CCCCC1 1537485350 ITXBLKBOOLVAGY-UHFFFAOYSA-N 334.366 4.048 0 40 EIAB O=C(COC(=O)/C=C/c1cccc2ccccc12)Nc1ccccc1 148021 YXDACUHDJOKZHV-BUHFOSPRSA-N 331.371 4.035 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 253053 HNZLZBWCRATQMA-UHFFFAOYSA-N 345.301 4.140 0 40 EIAB CCc1cc2ccc(C)cc2nc1SCC(=O)NC1CCCC1 413582 UOSRGFMCCZRGIB-UHFFFAOYSA-N 328.481 4.257 0 40 EIAB Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 560757 UORXMCPWNJRSCM-UHFFFAOYSA-N 334.419 4.427 0 40 EIAB COc1cccc2c1OCC(C(=O)Nc1cccc(Cl)c1C)=C2 1391470 BKSLKCBUEBUERB-UHFFFAOYSA-N 329.783 4.072 0 40 EIAB Cc1ccc(S(=O)(=O)n2c3ccccc3c3nc(C)sc32)cc1 2203100 NSVCQOCMCIURFM-UHFFFAOYSA-N 342.445 4.105 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)s1 3250845 MINJQSSODLZKRA-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)O)cc12 3319025 GJBQMJHARZRPFZ-UHFFFAOYSA-N 341.219 4.460 0 40 EIAB Cc1sc2ncnc(Sc3ncnc4sccc34)c2c1C 3342100 ZSGPIDZRDYMUSQ-UHFFFAOYSA-N 330.463 4.464 0 40 EIAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F 3356317 PQORYTRBVCGMRB-MRVPVSSYSA-N 328.721 4.196 0 40 EIAB CCN(CC)CCN(C(=O)CCc1ccccc1)C1CCCCC1 4429682 VLRGIQWNPSNEPA-UHFFFAOYSA-N 330.516 4.122 0 40 EIAB COc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 4588289 YPVPTAJKRQHDEA-AQTBWJFISA-N 335.403 4.337 0 40 EIAB O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)C1CCCCC1 4937119 OXINMSWIGJFINO-UHFFFAOYSA-N 340.471 4.068 0 40 EIAB O=c1[nH]c(/C=C/c2ccc(F)cc2)nc2sc3c(c12)CCCC3 6188164 YDBMLMYZMWRHAW-JXMROGBWSA-N 326.396 4.173 0 40 EIAB Cc1ccc(C)c(OCCC(=O)NCCc2ccc(Cl)cc2)c1 6284156 GJWZRTFIHCLQEM-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB Cc1cc(NC(=S)NCc2ccccc2)ccc1Br 7528503 OXKBNBITONZUGF-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB S=c1[nH]ncn1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 7602275 JSYUYWNQZKNTED-UHFFFAOYSA-N 341.223 4.251 0 40 EIAB CNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 8377382 SOQWVEZWTBTJBR-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB CC[C@@H]1CCCCN1Cc1c(C)nc2ccc(N(C)C)cc2c1O 8717520 UVXOXEXXADIFKD-OAHLLOKOSA-N 327.472 4.079 0 40 EIAB CCCCOc1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 8868609 IADNPXHBWGJGBT-UHFFFAOYSA-N 337.379 4.168 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)c2ccccc2o1 9882332 LEOANJVWIZRQJC-UHFFFAOYSA-N 348.402 4.036 0 40 EIAB COc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10313883 IKRLRZOOBKQETA-UHFFFAOYSA-N 325.452 4.242 0 40 EIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccc(Cl)s1)N3 11036541 FIRLEWMFAYZHBF-CYBMUJFWSA-N 349.868 4.482 0 40 EIAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2cccc3ccccc23)c1 12554843 NNSOJEDEAIRKDS-CQSZACIVSA-N 347.418 4.237 0 40 EIAB CC(C)COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167831 PQGNKHOSTHIDBH-UHFFFAOYSA-N 347.798 4.325 0 40 EIAB CCOc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1OC 14161527 ZOWFPGHSAHVLOB-UHFFFAOYSA-N 339.435 4.154 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc2cccnc12 15835442 KUXALHDKSJYPNL-LBPRGKRZSA-N 326.783 4.294 0 40 EIAB Cc1ccc(-c2cc3c(=O)n(Cc4cccc(Cl)c4)ccn3n2)cc1 17051481 QLSZSTGYOMXFAB-UHFFFAOYSA-N 349.821 4.173 0 40 EIAB CCCc1cc([C@H]2CCCCCN2Cc2cn(CC)nc2C)no1 19525418 DHHUXLPZKZTAAJ-LJQANCHMSA-N 330.476 4.269 0 40 EIAB Cc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(C(C)C)cc1 20110435 XPCMXBNIJQZRPH-KRWDZBQOSA-N 325.452 4.245 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(OC)cc1 20453921 DHHDRQVTYOYHOE-KXBFYZLASA-N 327.424 4.038 0 40 EIAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccncc1 23055155 RUBBNTVPRGVBOQ-XDGVHFHYSA-N 340.426 4.109 0 40 EIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCC(C(C)(C)C)CC1 23076774 XYDMXVPWOYSGEC-UHFFFAOYSA-N 345.483 4.269 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2ccco2)cc1 24606077 VHGZACGDZNQVSM-CQSZACIVSA-N 335.494 4.118 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3Cl)cc2c1 25765224 GKQUVRVLLABFIC-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB Fc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222580 KMEOCVZWLYKPBM-HXUWFJFHSA-N 335.426 4.238 0 40 EIAB COc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1OC 27526569 MLXOYYXHLBCVMX-UHFFFAOYSA-N 331.441 4.212 0 40 EIAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 30754938 HTNMBDNJFDPXAJ-OAHLLOKOSA-N 329.465 4.282 0 40 EIAB Cc1ccc([C@@H](NC(=O)CSc2ccc(F)cc2)C2CC2)cc1 31957645 SGCTXIXPEOPRSJ-LJQANCHMSA-N 329.440 4.494 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OCc2ccncc2)cc1 32796553 YEEJCMKJWJGDBI-QGZVFWFLSA-N 346.430 4.494 0 40 EIAB CCCCCC[C@H](O)C[C@H]1O[C@H]1CCCCCCCC(=O)OC 38287281 JTZNGIXLOGCDSA-OKZBNKHCSA-N 328.493 4.379 0 40 EIAB COc1ccc([C@@H]2CCN(C(=O)c3ccccc3SC)C2)cc1 38566547 UXTBZZSUQPOLMF-OAHLLOKOSA-N 327.449 4.047 0 40 EIAB O=c1ccc(-c2ccccc2)nn1CCCOc1ccc(Cl)cc1 40155624 LLDICKRMLNPGBB-UHFFFAOYSA-N 340.810 4.033 0 40 EIAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1OC 40158494 MQUZIWIJUBKDHL-KRWDZBQOSA-N 342.826 4.436 0 40 EIAB CCN(Cc1cccc(F)c1)C(=O)Nc1cc(OC)c(OC)cc1C 40526476 GVVAAUGOZUXQPZ-UHFFFAOYSA-N 346.402 4.205 0 40 EIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)c(C)c1 41076991 ZETWOHODLSLMEL-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)cc1OC 44945985 ULGHWURBMJVRFD-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Cn3ccnc3)c2)c1 45010779 MEQFZDUIRFOYHJ-UHFFFAOYSA-N 349.434 4.187 0 40 EIAB O=C(Nc1cccnc1N1CCCC1)N1CCC[C@@H]1c1cccs1 48172242 LUCQFGCQZQDCQV-OAHLLOKOSA-N 342.468 4.112 0 40 EIAB O=C(C[C@@H]1CCCO1)N[C@H](c1ccccc1)c1cc2ccccc2o1 49621378 BJDDJPUUVNONCG-LAUBAEHRSA-N 335.403 4.208 0 40 EIAB C[C@H](NCc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 54203689 SIZDTNXPJGYTGQ-HNNXBMFYSA-N 349.409 4.324 0 40 EIAB O=C(c1cc(Cl)c[nH]1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129613 LXFFKUYQYCGOQV-UHFFFAOYSA-N 334.206 4.001 0 40 EIAB CCn1c([C@@H](C)Nc2nccc(C(F)(F)F)n2)nc2ccccc21 65947307 FXNXNWJOWFPWPE-SNVBAGLBSA-N 335.333 4.038 0 40 EIAB CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2ccsc2)c1 71862717 YDNPDUOBUGOADB-AWEZNQCLSA-N 330.453 4.305 0 40 EIAB c1ccc(CN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377363 VLYGXCVGADCECR-INIZCTEOSA-N 337.452 4.014 0 40 EIAB Cc1ccc(C)c(NC(=O)CNC2(c3nc(C)cs3)CCCC2)c1 81608052 MLRWBGHKCPCDPS-UHFFFAOYSA-N 343.496 4.066 0 40 EIAB Cc1c(CN[C@H](c2ccc(Cl)cc2)c2ccsc2)cnn1C 95440007 UEECPTACWWYHTO-QGZVFWFLSA-N 331.872 4.323 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(OC)ccc2C)o1 95944901 ZGJMYZFMTIJVIJ-KRWDZBQOSA-N 344.411 4.112 0 40 EIAB CC[C@](C)(NC(=O)Nc1cccc([C@H](C)OC)c1)c1nccs1 96418041 UYUPUGMTHBVDGR-SJCJKPOMSA-N 333.457 4.297 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)C1C[C@@H]2CC[C@@H](C1)N2C 100480400 OXVQORLPGKNNFZ-IRXDYDNUSA-N 334.891 4.208 0 40 EIAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 101277154 BYTXPMCHHBCEBT-HNNXBMFYSA-N 349.217 4.046 0 40 EIAB O=C(NCC(F)(F)F)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 102922755 HMAVPTYQORUOMP-DIOPXHOYSA-N 337.385 4.203 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1SC 113942738 YIPLKBULEKQUTL-MRXNPFEDSA-N 331.437 4.213 0 40 EIAB Cc1cccc(C2(NCCOc3ccccc3C(=O)O)CCCC2)c1 183931145 GWFJDZKJUKOSAL-UHFFFAOYSA-N 339.435 4.131 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(C)c(C)c1 219307073 IFVILMGLFRSESX-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222801531 FIJNVFYUXMAGJX-MOPGFXCFSA-N 349.459 4.334 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1Cl 224433311 RUVOCWLBJBZDEH-INIZCTEOSA-N 347.842 4.001 0 40 EIAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccccc2)c(C)c1 225281069 MALHRLGGCFLWBS-CQSZACIVSA-N 342.464 4.219 0 40 EIAB CC(C)Oc1cccc(NC(=S)NCCCN2CCCCCC2)c1 225401009 DKSBFTSLHVQKOG-UHFFFAOYSA-N 349.544 4.026 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225552914 RQPFRINUTRXEGQ-HNNXBMFYSA-N 337.419 4.174 0 40 EIAB O=C(NC[C@@H](O)c1csc2ccccc12)c1c(F)cccc1Cl 225692865 KBWJVOCPCBCCKG-CQSZACIVSA-N 349.814 4.157 0 40 EIAB COc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225868338 DUIQGOHJUXVABM-UHFFFAOYSA-N 342.414 4.378 0 40 EIAB CCCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225903338 SFWUKDMGLHULIX-UHFFFAOYSA-N 330.428 4.166 0 40 EIAB C[C@@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1Cl 226275703 AMGJUJPKMABJBZ-SNVBAGLBSA-N 334.769 4.244 0 40 EIAB COc1ccc(C(=O)CCc2cc(Br)cs2)cc1F 228929683 WTCLDXMDGPZGSK-UHFFFAOYSA-N 343.217 4.474 0 40 EIAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccc(F)cc2)on1 509941949 YKIWMRMQUPAMAG-RDJZCZTQSA-N 336.366 4.014 0 40 EIAB Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)nn1-c1ccccc1 515285840 SCFAKOBTKGWZDV-UHFFFAOYSA-N 343.333 4.034 0 40 EIAB COc1nc2ccccc2cc1CNCc1ccc2[nH]c(C)cc2c1 520208192 SFIJRYRDSDYDPO-UHFFFAOYSA-N 331.419 4.323 0 40 EIAB CC(C)(CO)[C@H](NC(=O)c1cc2occc2s1)c1cccs1 616856267 CPNAJGCTSIDLNT-CQSZACIVSA-N 335.450 4.045 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)cs1 1775968794 WIWJORRTVCFTQN-ZDUSSCGKSA-N 327.405 4.092 0 40 EIAB CC1(C)C[C@@]2(CCCN2Cc2nccs2)CN1c1cccc(F)c1 2037989084 UYIOFRYENSHXGX-IBGZPJMESA-N 345.487 4.306 0 40 EIAB C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)C1 143771 OMYKNZZMPOLBBY-QMMMGPOBSA-N 342.675 4.067 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)N1CCCC[C@H]1C 413290 DTAZBNIEHHIMDK-CQSZACIVSA-N 328.481 4.290 0 40 EIAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 550286 KYNSXMAKSUGMEA-UHFFFAOYSA-N 328.371 4.061 0 40 EIAB COC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 1935759 CYKGLGGVZYDGMG-LLVKDONJSA-N 344.461 4.320 0 40 EIAB COC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](C(C)(C)C)C2 1990727 RFWJJMKHMCRKBN-NSHDSACASA-N 335.469 4.034 0 40 EIAB O=C(c1cccc(CN2CCCCC2)c1)c1cc(F)c(F)c(F)c1 2515037 VWWZMUSYYPHNGY-UHFFFAOYSA-N 333.353 4.321 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3559869 GJESJAHHPOOBAH-UHFFFAOYSA-N 337.297 4.134 0 40 EIAB O=C1c2ccccc2-c2nn(C(=O)C3CCCCC3)c3cccc1c23 3646894 SEWGEXBXVXXEIN-UHFFFAOYSA-N 330.387 4.468 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849753 SVLVKYHISIXPST-AHGXXGQGSA-N 332.484 4.401 0 40 EIAB Cc1c(C(=O)NCc2ccc(Cl)cc2)oc2c1C(=O)CC(C)(C)C2 4520075 TZBNPWUOLOSORZ-UHFFFAOYSA-N 345.826 4.327 0 40 EIAB Cc1cccc2sc(NC(=O)c3cc(F)c(F)c(F)c3F)nc12 6504550 OEBHBXLTQBNLFZ-UHFFFAOYSA-N 340.301 4.413 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2)cc1 7382875 OHICMIGVAIQPKB-UHFFFAOYSA-N 345.240 4.302 0 40 EIAB Cc1ccccc1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 7928153 IKCQIJBKJDESJU-QGZVFWFLSA-N 344.414 4.140 0 40 EIAB CCOc1cccc(CO)c1OCc1ccc(Cl)cc1Cl 8325470 ZUTBZFIUDGRIFF-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB Cc1ccccc1CSCCNC(=O)c1ccc(OC(C)C)cc1 8558311 YLEULNKMDGTRPZ-UHFFFAOYSA-N 343.492 4.445 0 40 EIAB O=c1[nH]ncc(SCc2ccccc2)c1SCc1ccccc1 8652398 PYOHPFAXQSBAKJ-UHFFFAOYSA-N 340.473 4.355 0 40 EIAB Cc1cccc2cc(CN(CC(C)C)C(=O)c3ccccc3)c(=O)[nH]c12 9267181 NDMCOYDMDSJGBG-UHFFFAOYSA-N 348.446 4.135 0 40 EIAB CCc1ccc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1 9318690 JGXNPHHDCPRKIB-MRXNPFEDSA-N 347.418 4.128 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 11170342 DTARVFPAUUZYFC-UONOGXRCSA-N 347.842 4.383 0 40 EIAB Cc1cc(C)c(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c(C)c1 12619394 CMTMNGNXASDNOS-DHZHZOJOSA-N 348.446 4.391 0 40 EIAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 12679698 RFCTZAXSJUEOCI-SMDDNHRTSA-N 343.452 4.143 0 40 EIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(F)c(Cl)c3)ccc2o1 12740864 SMGYZVMWLIVZAG-SECBINFHSA-N 347.777 4.368 0 40 EIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1 12925048 KYEIIYQQRLBFDZ-GOSISDBHSA-N 343.858 4.299 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)C[C@H]2C)cc1 13321108 SXQWJZUKVIVPPR-CQSZACIVSA-N 346.833 4.138 0 40 EIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1C 13670511 GPFYBOMDSLLFJF-CQSZACIVSA-N 343.448 4.291 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1 14154989 LSECNHFWMPJIIN-AWEZNQCLSA-N 344.414 4.390 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2cc(C)cc(C)c2)cc1 14400056 QWRCSSSLCFUVRU-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CC[C@H](C(=O)Nc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 14421738 OBFZHBHHLKTKPT-SFHVURJKSA-N 325.408 4.384 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 14553018 SGUVRDFQBDTIST-GFCCVEGCSA-N 334.213 4.164 0 40 EIAB Cc1ccn2c(=O)cc(CSCc3ccc(Cl)cc3)nc2c1 14754666 QQDCOIKQGIODAT-UHFFFAOYSA-N 330.840 4.090 0 40 EIAB CC(C)=CCc1c(O)ccc(-c2coc3cc(O)ccc3c2=O)c1O 14819472 NNCFAUGCNTZUIW-UHFFFAOYSA-N 338.359 4.086 0 40 EIAB biogenic,in-vitro COc1ccc(OCCCC(=O)Nc2ccccc2SC)cc1 15305931 WFCOBPDXFTVUPP-UHFFFAOYSA-N 331.437 4.215 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C)c1C 15480375 QTOUVDRDCWBHKV-HXUWFJFHSA-N 334.419 4.206 0 40 EIAB Cc1ccc(-c2nn3ccnc(Nc4cccc(F)c4)c3c2C=O)cc1 15829419 LCWHEHDLXYFWLI-UHFFFAOYSA-N 346.365 4.400 0 40 EIAB CCOc1ccc(CC(=O)CSc2nc3ccccc3o2)cc1 16740143 ALCSABZLMUMODD-UHFFFAOYSA-N 327.405 4.130 0 40 EIAB Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1[C@H](O)CC(C)(C)C2 16740182 XBXWECXLJOXSKX-CYBMUJFWSA-N 333.815 4.500 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)Oc1ccc2c(c1)OCO2 18185552 DOYBZHAPNBPLEV-UHFFFAOYSA-N 333.343 4.005 0 40 EIAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CCCC1 18705677 DYMBWLDJYZVETH-UHFFFAOYSA-N 329.400 4.331 0 40 EIAB CN1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19588871 TVHNMYQZXZGOCY-LJQANCHMSA-N 345.450 4.439 0 40 EIAB O=C(Nc1cccc(F)c1)c1cccnc1NCCc1ccccc1 19848992 WSHLMGVVWKROTQ-UHFFFAOYSA-N 335.382 4.128 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20038997 KYWAFFBLSKBQEA-INIZCTEOSA-N 338.451 4.179 0 40 EIAB CC(C)(C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 20484491 IANHQTYPUMFYQN-UHFFFAOYSA-N 329.465 4.386 0 40 EIAB Cc1ccc(C)c(Cn2c([C@H](C)N3CCOCC3)nc3ccccc32)c1 21175799 OVBCJRLLAHUXSH-SFHVURJKSA-N 349.478 4.095 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 22121412 XNXWHSVWIGAWKL-UHFFFAOYSA-N 341.223 4.312 0 40 EIAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(F)c(Cl)c1 23264038 DGQWOQJUOKLUJH-SNVBAGLBSA-N 341.839 4.376 0 40 EIAB COc1ccc(OC)c(NC(=O)CSCc2cc(C)cc(C)c2)c1 24073657 INSVCBWBTRQSTG-UHFFFAOYSA-N 345.464 4.193 0 40 EIAB CC(C)(C)c1ccc2c(Cl)c(C(=O)N3CCOCC3)sc2c1 26688070 ALPGJGYQTKJXCL-UHFFFAOYSA-N 337.872 4.325 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 27794984 XSQJMFFMUJMBFE-KRWDZBQOSA-N 328.481 4.014 0 40 EIAB Cc1ccsc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1 27920766 LEDMTFCJLSYOAT-UHFFFAOYSA-N 331.828 4.207 0 40 EIAB Fc1ccc([C@@H]2CCCN2Cc2cn3cc(Cl)ccc3n2)cc1 32901233 NVMVQEMDRCLTOM-KRWDZBQOSA-N 329.806 4.464 0 40 EIAB COc1cccc(CC(=O)Nc2cccnc2Oc2ccccc2)c1 36390944 LWVKGJVVLPFSQY-UHFFFAOYSA-N 334.375 4.064 0 40 EIAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc12 36691624 SGGCOBDNKBXDOX-UHFFFAOYSA-N 337.448 4.333 0 40 EIAB CCOc1ccc(CCC(=O)N(C)C2CCCCC2)cc1OCC 38753782 GSIXFHLXAAVCIS-UHFFFAOYSA-N 333.472 4.208 0 40 EIAB Cc1ccc(CN(C)C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 40104900 POAQDAMCQMYCGI-UHFFFAOYSA-N 348.450 4.461 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@]1(C)CC1(Cl)Cl 40548738 NMVHJYARHZSZJK-HNNXBMFYSA-N 343.254 4.112 0 40 EIAB Clc1ccc2oc(C3CCN(Cc4cccnc4)CC3)nc2c1 40549072 KKZREXFXAYFXCC-UHFFFAOYSA-N 327.815 4.256 0 40 EIAB Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1Br 41450295 WZHCNZZLAQAIOD-UHFFFAOYSA-N 349.184 4.130 0 40 EIAB COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 42382177 GTLVPUBDINXIDO-UHFFFAOYSA-N 331.481 4.334 0 40 EIAB C[C@@H]1c2cccn2CCN1C(=O)CCCc1ncc(-c2ccccc2)o1 43012739 NEAATDCGAPOZPI-MRXNPFEDSA-N 349.434 4.069 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C 43357077 WEPGTKVGOIVEQA-OAHLLOKOSA-N 337.876 4.134 0 40 EIAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc(-c2ccc[nH]2)cs1 47431091 QLVWJLDQCKDLEN-UHFFFAOYSA-N 348.431 4.110 0 40 EIAB Cc1cc(N2CCC(c3ccccc3)CC2)nc(-c2ccncc2)n1 57826867 ACLDARSSPRHEPB-UHFFFAOYSA-N 330.435 4.231 0 40 EIAB CC(C)n1ncc(C(=O)NC[C@@H](C)c2ccccc2)c1C(F)(F)F 58392893 GBFPPPQCSCDZJN-GFCCVEGCSA-N 339.361 4.016 0 40 EIAB O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCCCCCC1 58407610 MBSFJQHJPIBFNP-UHFFFAOYSA-N 340.345 4.473 0 40 EIAB Cc1cnc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cn1 84258321 OEMDDGLGYHAGIJ-KBXCAEBGSA-N 339.439 4.133 0 40 EIAB CCc1ccc([C@H](C)NCc2ccccc2CN2CCCC2=O)s1 95420118 ZQMPGYXTIQYOMX-HNNXBMFYSA-N 342.508 4.284 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1noc(-c2ccccc2)n1 95428094 NUANBCPFAZCTBF-DAOPMYJZSA-N 346.839 4.400 0 40 EIAB COc1ccc([C@@H](C)NCCOC2CCCCCC2)cc1NC(C)=O 95968165 NBQPNIDHAXMJDZ-OAHLLOKOSA-N 348.487 4.044 0 40 EIAB C[C@@H](Cn1cccn1)N[C@H]1CCCOc2c1ccc(Cl)c2Cl 97162453 NTNPVXVTTRAYEL-FZMZJTMJSA-N 340.254 4.082 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 100049697 KQYUGGMMKPPZTR-XNFNUYLZSA-N 329.399 4.098 0 40 EIAB COc1cc(C)c(C(=O)CC(=O)c2c(C)cc(OC)cc2C)c(C)c1 100493228 FSTUGIAOYRQVER-UHFFFAOYSA-N 340.419 4.393 0 40 EIAB Cc1cc(C)c2s/c(=N\C(=O)c3ccc(Cl)s3)n(C)c2c1 100823967 PWISIEIZJDLPMC-ICFOKQHNSA-N 336.869 4.313 0 40 EIAB C[C@H]1C[C@H](N[C@@H]2CCO[C@@]3(CCSC3)C2)c2ccsc2S1 108461295 BQMRMHBEIDYWOT-LMWOUKEDSA-N 341.567 4.318 0 40 EIAB COc1ccccc1-c1nnc(-c2c(C)nc3ccc(Cl)cn23)o1 216609917 UBXYNZUCJRZFGP-UHFFFAOYSA-N 340.770 4.022 0 40 EIAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(F)cc1Cl 216897554 XJBVSYYCFYGARD-XVNBXDOJSA-N 336.746 4.165 0 40 EIAB COc1cccc(-c2nc3cc(OC)cc(Br)c3[nH]2)c1 216916835 KMOGVKIRVTZSAO-UHFFFAOYSA-N 333.185 4.010 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1cnc(-c2cccc(F)c2)nc1 222621412 BEIYFQXUISCNKA-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 223642809 RCFTUMHMKXCUGB-UHFFFAOYSA-N 336.435 4.002 0 40 EIAB Cc1cccc([C@H]2CCCCN2C(=O)c2cnc([C@@H](C)O)s2)c1C 252485430 GVOVRLKAZJNKLC-GDBMZVCRSA-N 344.480 4.181 0 40 EIAB CCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 409098980 RSRKIJHGDZXWNQ-UHFFFAOYSA-N 337.448 4.330 0 40 EIAB CN(C(N)=O)c1cccc(NC2CC(c3ccccc3Cl)C2)c1 513298907 PRRQAHDHFVVCCE-UHFFFAOYSA-N 329.831 4.213 0 40 EIAB Cc1cscc1-c1noc([C@@H]2CC(=O)N(C3CCC(C)CC3)C2)n1 518071360 TXLYLHKIOQTUBK-HRDQMINSSA-N 345.468 4.001 0 40 EIAB Fc1ccc2nc([C@@H]3CCCN(Cc4ncccc4Cl)C3)oc2c1 528421192 PAUQQXVTOOXOKU-GFCCVEGCSA-N 345.805 4.395 0 40 EIAB Cc1ncc(CN(C)[C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)s1 565102348 GZQHYUZCEKLVDK-CYBMUJFWSA-N 345.251 4.016 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 575443039 DTIMJGYGBDYIEF-KDOFPFPSSA-N 336.439 4.150 0 40 EIAB Cc1ccccc1C1(C(=O)Nc2cnn(-c3ccccn3)c2)CCCC1 585085245 QOMUZPFCACHWLA-UHFFFAOYSA-N 346.434 4.026 0 40 EIAB Cc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 32943 RWGPMCRFVSZGEE-UHFFFAOYSA-N 339.445 4.227 0 40 EIAB CCOC(=O)c1cnc2ccc(OC)cc2c1NC1CCCCC1 71608 AIPLEYOFTSZJKP-UHFFFAOYSA-N 328.412 4.165 0 40 EIAB COc1ccc(CCNc2ncnc3sc4c(c23)CCCC4)cc1 89450 SYERUQGZRFOXGO-UHFFFAOYSA-N 339.464 4.233 0 40 EIAB Cc1cccc(-c2cc3nc4c(c(N5CCCC5)n3n2)CCCC4)c1 1341563 BHAVMZZQFOHUIZ-UHFFFAOYSA-N 332.451 4.184 0 40 EIAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)C1CCCCC1 3434045 VRJQGQYCUZTHAZ-UHFFFAOYSA-N 336.479 4.480 0 40 EIAB COc1ccc2nc(NC(=O)CSc3ccc(C)cc3)sc2c1 4496432 TYZGBMZEPZYTLF-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB Cn1cnnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 4526180 YDMXBQKJTOBBRZ-UHFFFAOYSA-N 347.205 4.041 0 40 EIAB Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)c1 4600617 BXWJFWXWHCFIJU-FXBPSFAMSA-N 347.201 4.379 0 40 EIAB C[C@H]1C[C@@H](NC(=S)NC(=O)c2ccccc2Cl)CC(C)(C)C1 5328138 IBIVLKJURKYXDH-NWDGAFQWSA-N 338.904 4.159 0 40 EIAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc2c(c1)OCO2 5552953 PXIUAGRNKVQJHY-UHFFFAOYSA-N 345.354 4.496 0 40 EIAB CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 5576865 GYQFKZYCWSMGAE-OAHLLOKOSA-N 347.846 4.114 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(-n2cccc2)c1 7814498 NCXRKYCCWVNBBQ-GOSISDBHSA-N 334.444 4.444 0 40 EIAB CNc1nc(-c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cs1 7844423 LCJZCKKKTKOTGT-UHFFFAOYSA-N 341.436 4.047 0 40 EIAB CCc1ccc(OCCCn2c(C(C)(C)O)nc3ccccc32)cc1 8786016 VPXGOJYHRJOCIK-UHFFFAOYSA-N 338.451 4.295 0 40 EIAB COc1ccc2ccc(O[C@@H](C)C(=O)NC3CCCCCC3)cc2c1 8883116 PMEFISHCTRZLNQ-HNNXBMFYSA-N 341.451 4.455 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NC3CCCC3)cc2s1 8990974 YOMULVSCJXBXCR-UHFFFAOYSA-N 339.464 4.376 0 40 EIAB CN(CCOc1ccccc1Cl)C(=O)c1ccc2ncsc2c1 9503095 QMNHEYDADFBFIT-UHFFFAOYSA-N 346.839 4.101 0 40 EIAB COc1cccc(NC(=O)NCCSCc2ccc(C)cc2)c1 11558708 BFRHDSUDNIUYDZ-UHFFFAOYSA-N 330.453 4.059 0 40 EIAB Cc1cc(C)nc(Oc2ccc(NC(=O)c3ccccc3F)cc2)n1 12090300 BNFAXLXYEIJMFI-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB C[C@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCCC1 12782204 UZPHSYXSBWNNFX-HNAYVOBHSA-N 341.430 4.173 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)N1CCc2sccc2C1 12898086 OFNQSXUWXMXVOX-UHFFFAOYSA-N 342.247 4.019 0 40 EIAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)c1cccc(Cl)c1 14093351 AKLORACHFZHBJZ-SNVBAGLBSA-N 347.827 4.092 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 15669575 VKRGZEOKMZKQJJ-UHFFFAOYSA-N 327.409 4.068 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)/C=C/c2ccc(F)cc2)cc1 16470773 KEZJFMZILCYLPA-DHZHZOJOSA-N 335.382 4.031 0 40 EIAB CCOc1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1 17113075 XEPUTMZHTXCTKA-UHFFFAOYSA-N 331.441 4.123 0 40 EIAB Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C)C3)c3ccccc23)cc1 17952543 SXCHFAQGMVSWLH-IYBDPMFKSA-N 333.435 4.219 0 40 EIAB CCOc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc(OCC)c1OCC 18158044 UWVJZUBZQLAEFM-GASCZTMLSA-N 349.471 4.286 0 40 EIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccc(F)cc1 21574153 AYGDAGPCGRQZMT-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB CCn1c(SCc2ccc(C)cc2)nc2c([nH]c3ccccc32)c1=O 22627989 LADLVDGNSVZLOC-UHFFFAOYSA-N 349.459 4.498 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccc(C)cc1 23530396 ABYAXGMZSDLVOM-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB CCn1nc(C)c(C(=O)Nc2ccccc2Cc2ccccc2)c1C 27982917 BTYBRBYGYZSPRO-UHFFFAOYSA-N 333.435 4.363 0 40 EIAB Cc1ccnc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1 28229637 QYQDBZCQZIOZGG-UHFFFAOYSA-N 344.317 4.093 0 40 EIAB CSCc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c1 36391893 DUZQGSQZXJSRJO-UHFFFAOYSA-N 328.437 4.069 0 40 EIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1C 41096658 OFNGHQXIAQBOCU-HNNXBMFYSA-N 339.501 4.080 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960857 TVZWAAJTZGFTLH-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB CS[C@H](C)C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 69420834 KVAHUCAQJVPZOW-WBMJQRKESA-N 347.459 4.021 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nnc(-c3ccsc3)s2)C1(C)C 71819369 POMGHBJNEGKGJF-NWDGAFQWSA-N 333.482 4.444 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@@H](C)CCC[C@@H]3C)sc2n1 72295436 DDGCWOKATKYXEN-QWRGUYRKSA-N 331.485 4.267 0 40 EIAB O=C(/C=C/c1ccccc1)NCC[C@H](O)c1cccc2ccccc12 77116429 NAVZDRYTNPRUJW-ARKBFRDHSA-N 331.415 4.093 0 40 EIAB O=C(COC1CCCC1)Nc1nc(-c2cc3ccccc3o2)cs1 84594979 RERIVUODXHOXOR-UHFFFAOYSA-N 342.420 4.454 0 40 EIAB O=[S@@](Cc1cccc(NCc2cscn2)c1)c1ccccc1 89847819 YUAGJWKBIKDDKU-JOCHJYFZSA-N 328.462 4.063 0 40 EIAB O=C(OCc1ccccc1)N1CCCC[C@@H]1CSC(F)(F)F 91252877 NFOMEZNZXOSNKA-CYBMUJFWSA-N 333.375 4.431 0 40 EIAB CC[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 95419435 YKLOBPSZXMXIHS-QRWLVFNGSA-N 348.450 4.004 0 40 EIAB COC(=O)Nc1ccc(NC(=O)[C@]2(C)CCCc3ccccc32)cc1 95958451 JCTMUPODKNNRER-HXUWFJFHSA-N 338.407 4.098 0 40 EIAB Cn1cnnc1-c1cccc(NCc2cccc(-c3ccncc3)c2)c1 96482743 REEPEVSTUUPEKE-UHFFFAOYSA-N 341.418 4.156 0 40 EIAB CCn1ncc(C(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(C)cc2)C3)c1C 100172285 FWWSTFSPJWQIDQ-RTBURBONSA-N 337.467 4.071 0 40 EIAB O=C(CC(=O)C(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1 101033702 VNUUNUTYLKCVQD-UHFFFAOYSA-N 340.272 4.109 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102235511 KMGBJUJLCHILAK-XGYYKPKNSA-N 335.875 4.357 0 40 EIAB COc1ccc(-c2c(C)nn3c(O)cc(-c4ccc(F)cc4)nc23)cc1 102735848 FUVMRPPQQZZHEX-UHFFFAOYSA-N 349.365 4.225 0 40 EIAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)c1ccc(C(F)(F)F)cc1 107504569 UFWSIRDZPDKLCM-MRRJBJDNSA-N 342.405 4.003 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118915173 DGNCIMCPMIGWCU-PJCVOBQUSA-N 334.500 4.481 0 40 EIAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc2ccccc2c1 222783204 ZKIOJMOHHBZEGA-UHFFFAOYSA-N 345.851 4.113 0 40 EIAB Cc1cccc(CSCC(=O)NCCOc2cc(C)ccc2C)c1 224041902 FFFNHUZSGJGUDE-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1cc(C)cc(O[C@@H](Cc2cccc(Br)c2)C(=O)O)c1 225063343 HCZJYQHHJKJJLY-INIZCTEOSA-N 349.224 4.141 0 40 EIAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 225138748 CQOHECNLCGSEHV-UHFFFAOYSA-N 336.265 4.270 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257286367 PLHUOJPEHZPUHR-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CN(C(=O)c1cc(-n2cccc2)ccn1)[C@H]1CCCc2ccccc21 515083549 YZUNDRBSYRSFNO-FQEVSTJZSA-N 331.419 4.022 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)Cc2cccc(C(=O)O)c2Cl)s1 519167054 CJCGGLXFLHLWOQ-JTQLQIEISA-N 338.860 4.305 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)c1cccc2ccccc12 575618218 KFCDUFMAGKDZMR-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB O=C(Nc1c(F)cccc1F)N1CC2(CC(c3ccccc3)C2)C1 1775970404 LPLSYQZITQVARD-UHFFFAOYSA-N 328.362 4.376 0 40 EIAB Cc1ccc(-n2ncc3c(Nc4cccc(F)c4)ncnc32)c(C)c1 536276 IMSFDTNUZUEEJZ-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl 789814 QORSKEULCHALJF-UHFFFAOYSA-N 342.129 4.116 0 40 EIAB COc1ccc2c(c1)C=C(C(=O)Nc1cccc(C(F)(F)F)c1)CO2 1391490 MKYBUCXPTBMKOD-UHFFFAOYSA-N 349.308 4.129 0 40 EIAB CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1CC 2213222 VLUTYDKKZCCBEW-UHFFFAOYSA-N 340.448 4.489 0 40 EIAB O=C(O)c1cccnc1SCc1csc(-c2ccccc2)n1 3235889 ACUKUTWVVAUKQT-UHFFFAOYSA-N 328.418 4.196 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 3881350 OQHMNEGOKQMOFM-BPSSIEEOSA-N 332.484 4.242 0 40 EIAB biogenic,in-vitro Fc1ccc(/C=C/c2nn3c(-c4cccs4)nnc3s2)cc1 4776352 DBQAYRPTHZOALT-VMPITWQZSA-N 328.397 4.224 0 40 EIAB Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)CCC4)n2)cc1 5866211 ISILPGMNQVUHSW-UHFFFAOYSA-N 349.459 4.244 0 40 EIAB CCn1nc(NC(=O)C2CCCCC2)c2cc3cc(C)ccc3nc21 6785661 PLXZFHGCKMYZFH-UHFFFAOYSA-N 336.439 4.432 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(N)c3)cc2)cc1 7468467 BXAZFKQGRVFRTC-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB Cc1[nH]c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2c1C 7982740 BHIWAJGNALXCCW-UHFFFAOYSA-N 347.374 4.192 0 40 EIAB Cc1csc(N(C(=O)c2cn3c(C)cccc3n2)c2ccccc2)n1 7983173 HFSYDTVCHWCSRJ-UHFFFAOYSA-N 348.431 4.386 0 40 EIAB COc1cccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)c1 8331738 QPWKDYIOUWIABV-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1Cc1ccccc1 8334356 LZTLPVQBYMXQFB-MOSHPQCFSA-N 347.462 4.119 0 40 EIAB O=C(Nc1nnc(CCCc2ccccc2)s1)C1CCCCC1 9667439 ZFIVJEYAMNEJIJ-UHFFFAOYSA-N 329.469 4.232 0 40 EIAB O=C(COc1ccccc1Br)c1c[nH]c2ccccc12 10238624 ZFLUCQHMSDWOJJ-UHFFFAOYSA-N 330.181 4.192 0 40 EIAB COc1ccc(C2(NCc3cccc(Oc4ncccn4)c3)CC2)cc1 12238683 NHELXKWKOLETCI-UHFFFAOYSA-N 347.418 4.056 0 40 EIAB CC[C@H](C(=O)OCc1nc(-c2ccc(C)cc2)no1)c1ccccc1 12863278 GCFPLXQUUNOPGJ-KRWDZBQOSA-N 336.391 4.282 0 40 EIAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F 12917474 LRJSCLXGEOEPFA-UHFFFAOYSA-N 325.343 4.108 0 40 EIAB C[C@H]1CCc2sc3ncn4c(Cc5cccs5)nnc4c3c2C1 13733012 SCSCUEXBCHXIEG-JTQLQIEISA-N 340.477 4.116 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 14738339 GWPAJTBSHXGWNM-CQSZACIVSA-N 327.424 4.399 0 40 EIAB Nc1nc(Nc2ccc(Cl)cc2)nc(-c2cc3ccccc3o2)n1 16977437 SXVDOCQVLYLHHI-UHFFFAOYSA-N 337.770 4.264 0 40 EIAB Cc1nc(Nc2ccc(OCc3ccccc3)cc2)sc1C(=O)O 20156553 KWLINQNFTHZKMV-UHFFFAOYSA-N 340.404 4.472 0 40 EIAB C[C@H](NCc1ccc(-c2ccccc2F)o1)[C@H](O)c1ccccc1 20312683 LLHIIAUCPXOGKE-XOBRGWDASA-N 325.383 4.297 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2cccc3cnccc23)cc1C 21219565 FTNKSHYDGBEGBY-UHFFFAOYSA-N 332.403 4.453 0 40 EIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 22520443 TVCYXIOYCOPJNJ-INIZCTEOSA-N 327.424 4.417 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)c1cnc2ccccc2n1 22900380 HNFLTMXJIIHVBH-UHFFFAOYSA-N 346.434 4.263 0 40 EIAB COc1ccc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)cc1 23053630 CBYSCRZYPNBNPR-LBPRGKRZSA-N 344.440 4.241 0 40 EIAB Cc1occc1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 24748979 XRWHLTOKXFLXFN-LJQANCHMSA-N 345.402 4.178 0 40 EIAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc2ncsc2c1 24990106 GKJKSCPMBLFDNE-QWRGUYRKSA-N 328.359 4.147 0 40 EIAB Cc1ccccc1Cn1ccc(NC(=O)c2ccc(OC(C)C)cc2)n1 27916293 TYRMGDSYDBJUDF-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1cccs1 28247421 DJMPBHLMYZKYGO-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](C(F)(F)F)C1 30567719 PNFUXUMLEQXXLD-JTQLQIEISA-N 344.358 4.126 0 40 EIAB Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)s1 32548553 GOLJTCPIPGSPSC-UHFFFAOYSA-N 330.430 4.491 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCCC2=O)cc1 32644341 AACWINAVFGDOIR-UHFFFAOYSA-N 342.826 4.105 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2N2CCCCC2)c1 32958747 OZJPGVKFRLNRHU-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1N1CCCC1 33599123 MXWYDVPZMRZMFV-UHFFFAOYSA-N 344.842 4.266 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl 34362958 JPFILWFZLUXWFM-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB O=C(CNc1ccc(OC(F)(F)F)cc1)NCCC1=CCCCC1 40007904 PJUYZXAJGBNERA-UHFFFAOYSA-N 342.361 4.004 0 40 EIAB Cc1cc(C(=O)N(C)Cc2sccc2C)c2ccc(F)cc2n1 40073758 BRHCJVJCJZNCBK-UHFFFAOYSA-N 328.412 4.324 0 40 EIAB COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1OC(F)F 48080241 NVEDPSVPXYIFAR-HNNXBMFYSA-N 347.361 4.274 0 40 EIAB COc1ccc(-c2csc(Nc3ccc(F)cn3)n2)cc1OC 49006109 CHKLBZRUQFMZPW-UHFFFAOYSA-N 331.372 4.105 0 40 EIAB Cc1nn(-c2nc3c(Cl)c(Cl)ccc3s2)c(C)c1C(=O)O 57351373 NHVUGLAKGDXWAY-UHFFFAOYSA-N 342.207 4.104 0 40 EIAB CC[C@@H](NC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCCO2 64986942 WWZBBOXUOXVBEK-QGZVFWFLSA-N 325.408 4.037 0 40 EIAB Oc1ccc([C@H]2CCCN2Cc2cc(Cl)cc3c2OCOC3)cc1 65610190 VSILUFYMINYCGM-GOSISDBHSA-N 345.826 4.249 0 40 EIAB O=C(O)CCc1ccc(OCc2ccc(Br)cc2)cc1 71297109 VVMPRKZQODSJGQ-UHFFFAOYSA-N 335.197 4.045 0 40 EIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C 71862923 QEZGSVXYKOBLCD-UHFFFAOYSA-N 337.379 4.348 0 40 EIAB C[C@@H](c1ccccc1F)N(C(=O)NCc1cccc(F)c1)C1CC1 75094248 GEBSLHIPDAJLCO-ZDUSSCGKSA-N 330.378 4.400 0 40 EIAB CN(Cc1cc(Cl)cc2cccnc12)[C@H](CCO)c1ccccc1 75897473 NLAIHDHWSMJTRC-LJQANCHMSA-N 340.854 4.444 0 40 EIAB COc1ccc(NC(C)=O)c(NC(=O)CC/C=C/c2ccccc2)c1 78083470 VCTFEVDFHQKIPH-UXBLZVDNSA-N 338.407 4.086 0 40 EIAB COc1cc(OC)c2nc(C)cc(Nc3cccc(C(=O)O)c3)c2c1 78401727 LKHXMSNCPPUSFP-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB C[C@H](Nc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1 78582888 NVLIMYKJHOHRSD-QMMMGPOBSA-N 346.150 4.431 0 40 EIAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCCSCC1 95957336 RPJQSFGUOKPZID-NEPJUHHUSA-N 330.280 4.062 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 96434805 POBGPZZOZZEIKX-CPUCHLNUSA-N 335.517 4.057 0 40 EIAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccc(F)c(F)c1)CC3 96759282 JXLNOBRLOLQWOH-XFFZJAGNSA-N 344.386 4.243 0 40 EIAB CCNc1ccc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1F 97048577 KMMUBHILVPWOCL-UHFFFAOYSA-N 349.793 4.122 0 40 EIAB Cc1cccc(CCCNC(=O)CSCc2ccccc2F)c1 222707122 SVROESBRBVRDPP-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB Cc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1C 222819654 WOWRHLYGEINSQE-KRWDZBQOSA-N 339.435 4.101 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccccc2OC)cc1 223285167 VFNLTXJZGKTUJJ-HNAYVOBHSA-N 341.451 4.292 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1cccc2ccccc12 223570890 NKQGLSLOEANNDO-HXUWFJFHSA-N 349.430 4.192 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)COc2ccccc2C(C)C)c1 224042450 YSIVHZWNTZMOFW-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CCCCOCc1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 224438388 XRWFZAQBYPOOOS-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB CCCOCc1cc(C(=O)Nc2cccc(OC)c2)ccc1OCC 224706913 HLOZIWNOTXMBIO-UHFFFAOYSA-N 343.423 4.273 0 40 EIAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 225441133 CPUBHWSXWPGWLN-INIZCTEOSA-N 347.842 4.167 0 40 EIAB CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1 225640082 SIXBBBZCTYEYBP-HNNXBMFYSA-N 344.480 4.148 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccccc1C 225756598 UXEIEEJVYIQTRF-MRXNPFEDSA-N 344.480 4.450 0 40 EIAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2)nc2c1CCCC2 409272409 GOWGVQUOMWRWDQ-UHFFFAOYSA-N 347.871 4.048 0 40 EIAB CC(C)(C)Cc1ccccc1C(=O)NOCCOc1ccccc1 1653647740 DCRKFTLDJARKCS-UHFFFAOYSA-N 327.424 4.016 0 40 EIAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2snnc2c1 94971 DQLXJRPIZQWICY-UHFFFAOYSA-N 326.425 4.135 0 40 EIAB COc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 335639 WMTAMYWOAQQFAD-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 503436 HQAKKJUVFWXIKJ-GOSISDBHSA-N 345.398 4.098 0 40 EIAB Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN)ncnc32)cc1 1642242 UEMNOEQOZQKKOV-UHFFFAOYSA-N 349.825 4.335 0 40 EIAB CCOC(=O)c1cc(-c2cc3ccccc3o2)nn1-c1ccccc1 3308397 BHTIDXACTTUTKI-UHFFFAOYSA-N 332.359 4.462 0 40 EIAB COCCCn1c(C)nnc1SCc1ccc(C(C)(C)C)cc1 4130653 GRZNRYXBEWAHSM-UHFFFAOYSA-N 333.501 4.213 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H](C)NC23CC4CC(CC(C4)C2)C3)c(C)c1 4614382 CBTXPJWPSUNNAZ-RMJOCGACSA-N 340.511 4.497 0 40 EIAB COc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 4740059 HTYOHQXPOBPUIE-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB O=C(/C=C/c1ccccc1)n1cnnc1SC/C=C\c1ccccc1 5043336 MYVJOINBZKGSRB-ZFVREGAWSA-N 347.443 4.437 0 40 EIAB CC(C)(C)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146424 XLTKDUQEEDBFIV-UHFFFAOYSA-N 347.871 4.173 0 40 EIAB COc1cc([C@@]2(C)OC(=O)c3ccccc32)c(OC)c2ccccc12 5889552 WXVPRXGKQCAYBA-NRFANRHFSA-N 334.371 4.291 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H](c2cccs2)C(C)C)cc1OC 7078123 YPBSXNOAGPXRSW-RQMBKDMJSA-N 345.464 4.292 0 40 EIAB Cc1ccc(-n2c(N)c(C(=O)N3CCCCCC3)sc2=S)cc1 7499897 NHLWRJDGWYETDZ-UHFFFAOYSA-N 347.509 4.175 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccncc2)cs1 7781189 HNBWKLGUZHDPRH-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB O=C(NCc1ccccc1F)c1ccc(COc2ccccc2)cc1 8312452 FVCLJTPPTUBQRY-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(C)C 8558736 LWULXKZFQZUZAZ-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2n1 8798653 MIFHHKWAAULKFH-UHFFFAOYSA-N 336.269 4.287 0 40 EIAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)(C)C)ccc21 8959035 NPBXKPMSVZPGEX-UHFFFAOYSA-N 346.471 4.079 0 40 EIAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c1 9515218 MDUASTACCCGJMT-JXMROGBWSA-N 349.308 4.440 0 40 EIAB COc1ccc(OC)c(NC(=O)c2csc(-c3ccccc3)n2)c1 9762745 QUHJUIJGBHUYKG-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 10276700 QOKSLVHCYWZVQH-AWEZNQCLSA-N 349.471 4.304 0 40 EIAB Cc1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4S3)sc2c1 11429290 SVDACHWUWFVKLY-HNNXBMFYSA-N 326.446 4.260 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1 12557520 HGSLVCFWFNKENO-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 12760499 VZLDGUGQPUVKAQ-QGZVFWFLSA-N 335.856 4.174 0 40 EIAB CCCN(CCC)c1ncnc2c1cnn2-c1ccc(Cl)cc1C 15880933 PSLRZMLAUUAQRE-UHFFFAOYSA-N 343.862 4.404 0 40 EIAB Cc1ccccc1CN(C)C(=O)CN(C)Cc1ccc2ccccc2c1 16342958 FYTVLHOZWFKGEB-UHFFFAOYSA-N 346.474 4.239 0 40 EIAB CC(C)COP(=O)(OCC(C)C)[C@@H](O)C(Cl)(Cl)Cl 16575314 UQSNSYHFHIOCCI-SECBINFHSA-N 341.599 4.213 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 17167228 DAVGZAUEUBWRAH-KBPBESRZSA-N 342.464 4.119 0 40 EIAB Cc1ccn2cc(C(=O)N[C@@H](c3ccccc3)c3cccs3)nc2c1 18211461 KNSBRWPFTGEFCR-IBGZPJMESA-N 347.443 4.224 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSc1ccccc1 20048956 NMVZGMOCCMWXFX-GOSISDBHSA-N 343.492 4.369 0 40 EIAB CCOc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1 20459580 GBIAOBNNTHLLRS-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 20461100 AKAXEMKDRVDYDZ-ZDUSSCGKSA-N 349.883 4.459 0 40 EIAB COc1ccc(NC(=O)CCc2cccnc2)cc1Cc1ccccc1 24787106 ZSHWSKPHGHAMEA-UHFFFAOYSA-N 346.430 4.252 0 40 EIAB CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)N(C)C 24975643 YNDQGUFZCXJSDM-GFCCVEGCSA-N 332.275 4.091 0 40 EIAB O=C(NCCc1cccc2cccnc12)c1ccccc1C(F)(F)F 29453890 GIUVPFWYQJGVKH-UHFFFAOYSA-N 344.336 4.226 0 40 EIAB CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1ccccc1OC(F)F 31756152 OFHDKVOSVSZKRC-MRXNPFEDSA-N 349.377 4.107 0 40 EIAB COc1ccccc1Cn1c(C)cs/c1=N\c1ccccc1F 32741521 YRDIXCHZZIIVIB-ZZEZOPTASA-N 328.412 4.286 0 40 EIAB COc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@H](C)[C@H]2C)cc1OC 35464675 XCRBJSLPMIXFOO-HBCXDPBJSA-N 328.408 4.494 0 40 EIAB biogenic,in-vitro O=C(Nc1nccs1)c1csc(-c2cc3ccccc3[nH]2)n1 36708167 HYTXHHVZVLUODU-UHFFFAOYSA-N 326.406 4.000 0 40 EIAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OC 36815618 DEDOKDIYVGFXFB-UHFFFAOYSA-N 336.229 4.387 0 40 EIAB Cc1ccsc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1 40108456 QROCXYQPLQAZQU-NSHDSACASA-N 338.270 4.180 0 40 EIAB Cc1ccccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184914 KCULRDYSFUVFMS-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cn1ccnc1[C@H](NCc1cccc(Cl)c1)c1cccc(F)c1 42203884 FJPXCCVTICJPIX-QGZVFWFLSA-N 329.806 4.092 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(OC)ccc1OC 44904846 UMROKQCLOZNZMD-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1ccsc1 45975968 FEQYXQGUBTUUIH-HNNXBMFYSA-N 344.436 4.278 0 40 EIAB COc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C 54667168 SQZNUIMRHATDTC-LJQANCHMSA-N 346.858 4.274 0 40 EIAB CCCCS[C@@H](C)C(=O)Nc1ccc(Oc2cnccn2)cc1 57488350 JODNKZIKQDHEFJ-ZDUSSCGKSA-N 331.441 4.129 0 40 EIAB COCC[C@@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 60345404 FHJCMSGZRCWMHD-CYBMUJFWSA-N 343.389 4.058 0 40 EIAB Cc1cc(C(=O)N(CCc2ccccc2)Cc2ccccn2)c(C)o1 62017875 RVAMIIMGJWJGRQ-UHFFFAOYSA-N 334.419 4.177 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 65579084 OOZAJSLEQVCHNL-UHFFFAOYSA-N 340.276 4.055 0 40 EIAB CC(C)c1nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2s1 66873823 IYDOZQULOOTLAB-QWHCGFSZSA-N 344.436 4.025 0 40 EIAB Cc1cc(CNC(=O)/C=C/c2sc3ccccc3c2Cl)no1 67498595 NQOKRBGUECPHCK-VOTSOKGWSA-N 332.812 4.181 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)Nc1cccc2cccnc12 69351750 ULPAWIAMWSOPNV-UHFFFAOYSA-N 344.374 4.212 0 40 EIAB Cc1cc(C)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(N)c1 70462910 SKALZVLGFYDWOJ-UHFFFAOYSA-N 332.831 4.173 0 40 EIAB Cc1cnn(CC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1 71185822 RQVDLPLKWXZWIK-MRXNPFEDSA-N 334.423 4.003 0 40 EIAB Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1C 71835008 YTOPHZKBPRXTJH-OALUTQOASA-N 339.435 4.070 0 40 EIAB CN(C)C(=O)c1ccc(NC(=O)c2coc3ccccc23)cc1Cl 95396627 JYOBPBIKIWYEAK-UHFFFAOYSA-N 342.782 4.040 0 40 EIAB O[C@H]1CCN(CCCOc2cccc(Cl)c2)Cc2ccccc21 95466723 CYPBDSLQOXMBSM-IBGZPJMESA-N 331.843 4.048 0 40 EIAB C[C@H]1C[C@H](OC[C@H](O)CNC(C)(C)CC(C)(C)C)CC(C)(C)C1 95532677 ZCGOSUPULPBKSS-BBWFWOEESA-N 327.553 4.383 0 40 EIAB COCc1csc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1 96435541 JAWSBXJTMDWPRL-CYBMUJFWSA-N 335.429 4.032 0 40 EIAB CCN(C(=O)c1cc2nc(C)ccc2o1)[C@@H](C)c1cccc(OC)c1 97001147 OHRNMVGEZFUEFH-AWEZNQCLSA-N 338.407 4.368 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1 101652028 SVTHTSHUNWSKNN-VLIAUNLRSA-N 340.423 4.088 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(C2CC2)nc1 103019603 QYPLFPJBMIANCL-UHFFFAOYSA-N 336.420 4.038 0 40 EIAB CCOc1ccc(Cl)cc1C(=O)Oc1ccc(C)cc1C(C)=O 113839077 HUNKAMANFIRMSE-UHFFFAOYSA-N 332.783 4.469 0 40 EIAB Cc1nc(CC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cs1 193191037 LENHOMCDCDEJJY-UHFFFAOYSA-N 339.420 4.128 0 40 EIAB Cc1cc(Cl)nc2ccc(S(=O)(=O)Cc3ccccc3)cc12 217430432 VPBGGDFHHJPMKT-UHFFFAOYSA-N 331.824 4.171 0 40 EIAB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219856441 HSARMPPIKQZWJK-UHFFFAOYSA-N 336.435 4.053 0 40 EIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)cc2)S1 222559476 IEPSDEGHUBKREL-UVBJJODRSA-N 329.856 4.324 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccccc1Cl 223409422 HZEIVTFAHHBBPV-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB CCOc1ccccc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225047441 FFZHOXPFNQBXKG-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB Cc1ccc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225090364 YMHUKPFHIUGXBF-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1C 225789753 TYUJKPCUNVDIGD-CQSZACIVSA-N 332.444 4.196 0 40 EIAB CC(C)CNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225830619 QUEVQYBLLJNDMN-UHFFFAOYSA-N 349.434 4.108 0 40 EIAB CCC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3o2)c1 226774760 CASMPVCXWIDOMR-UHFFFAOYSA-N 332.221 4.263 0 40 EIAB CC(C)c1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1 260742658 XXGCRVYCQDIJCF-INIZCTEOSA-N 333.545 4.218 0 40 EIAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409108576 VHAMFWWFAGUNQR-LFIBNONCSA-N 326.421 4.150 0 40 EIAB CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(NCc2cncs2)c1 1119643863 SYIADDYZTGYHRA-GUYCJALGSA-N 329.469 4.016 0 40 EIAB O[C@@](CNc1nc2ccccc2o1)(c1ccsc1)c1cccs1 1775970111 BRTIQPREVFGEJP-KRWDZBQOSA-N 342.445 4.299 0 40 EIAB C=CC(=O)N1C(=O)C[C@@H](c2ccc(F)cc2)Sc2ccccc21 1911936333 DJUQPBPAHPCBBX-INIZCTEOSA-N 327.380 4.108 0 40 EIAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1Cl 374251 ZSOJZTKBELQEOM-UHFFFAOYSA-N 343.736 4.071 0 40 EIAB Clc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 528381 MITVOOWVBKZTQD-UHFFFAOYSA-N 332.860 4.337 0 40 EIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(Cl)cc1 1397303 VRNDFQOIWWEFAL-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COc1ccc([C@@H](CCNC(=O)[C@H]2CCOC(C)(C)C2)C(C)C)cc1 2148426 BNSRXZJARXDPQG-HKUYNNGSSA-N 347.499 4.146 0 40 EIAB biogenic CCCCOc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1 3099592 KDLHFJIJEJDFJJ-UHFFFAOYSA-N 329.783 4.320 0 40 EIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cc(F)cc(F)c1 3356548 GTZILULONPVPCY-UHFFFAOYSA-N 336.647 4.284 0 40 EIAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 3850017 LLKXAWZFTUNUTQ-QMNUTNMBSA-N 336.516 4.379 0 40 EIAB O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1Cl 4015838 OCGIXRYPQDPEGM-MHGIMSBQSA-N 341.838 4.356 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(F)c1 4072137 HVYXTELMOMQGSS-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1 5164077 MBSDTXMAXGCMQJ-UHFFFAOYSA-N 334.419 4.170 0 40 EIAB Cc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCCC1=O 5441316 FXSLAPBROUBROE-UHFFFAOYSA-N 342.826 4.418 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 5616256 AGAPRTHFTOFNDX-GOSISDBHSA-N 325.408 4.059 0 40 EIAB CC1(C)[C@H]2C[C@H](Sc3nnn(-c4ccccc4)n3)[C@@](C)(Cl)C[C@H]21 5903138 SSQSSYIXOVMRJG-LOUJCGABSA-N 348.903 4.187 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Sc2ncnc3sccc23)c1 6115483 SULXMNBNQGELQR-NSHDSACASA-N 329.450 4.119 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CC1 6208556 KNVHKXAGXDSJPW-INIZCTEOSA-N 338.838 4.479 0 40 EIAB CC(C)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6306656 AXEUBLDPYZLHHW-XMHGGMMESA-N 338.407 4.298 0 40 EIAB CCCCNC(=O)OCCSC(=S)Nc1cccc(Cl)c1 6783147 PSGRBSARHLRRHP-UHFFFAOYSA-N 346.905 4.296 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(C)C 7361122 YCAAQGGILLNJIV-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 7382808 WFOYNDOXVQAKLC-SNVBAGLBSA-N 326.293 4.284 0 40 EIAB Cc1nc2ccccc2c(C)c1C(=O)OCc1nc2ccccc2o1 7711126 KFPVARSOPZKRPZ-UHFFFAOYSA-N 332.359 4.350 0 40 EIAB C[C@H](NC(=S)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 7981198 DLVFVHNKEMSGIL-HNAYVOBHSA-N 340.492 4.058 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2)cc1C 8041149 AAQAMARIQNGAQC-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1Cl 8071241 GCXVECOUZJNSSN-UHFFFAOYSA-N 342.704 4.093 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1 8917079 OVRKDDBQKQFVPO-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1 9320909 IBLHVTAUPMWVAA-KRWDZBQOSA-N 347.418 4.182 0 40 EIAB COc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1 9513957 BFURJHCLECIHBA-UHFFFAOYSA-N 338.329 4.078 0 40 EIAB CCOc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 10893753 MWZOPPYBJCGAKB-UHFFFAOYSA-N 338.432 4.139 0 40 EIAB CCCOc1ccccc1NC(=O)CN1c2ccccc2CC[C@@H]1C 11193087 MLGQZDSBKXOWDP-INIZCTEOSA-N 338.451 4.255 0 40 EIAB CCCCCC[C@H](C)NC(=O)N1CCN(c2ccccc2C)CC1 12545598 UWHHNILHBRNKPY-SFHVURJKSA-N 331.504 4.186 0 40 EIAB O=C(Nc1cccc(F)c1)c1cccc(OCc2cscn2)c1 12747904 XOKHSYGROQAHIB-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 12886479 OTKBGTLTFFWPBY-MRXNPFEDSA-N 339.435 4.152 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2 12983100 XCNPSFTZBKBPGB-UHFFFAOYSA-N 331.362 4.097 0 40 EIAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 13938183 ZEVLJOTVPMWQJK-HNNXBMFYSA-N 325.433 4.188 0 40 EIAB CCN1C(=O)[C@H](Cc2ccc(C)cc2)c2cc(Br)ccc21 15018137 QOHZQWVHXRPVSI-MRXNPFEDSA-N 344.252 4.450 0 40 EIAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F 15352184 RGUOJDSWXASIKE-ZDUSSCGKSA-N 348.368 4.485 0 40 EIAB CCSc1nnc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)s1 16706199 GMKDUFIKYPZYAJ-RCKQQEMXSA-N 335.454 4.018 0 40 EIAB Cc1scc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c1C 19561856 YZDKCSSHBLAFLJ-UHFFFAOYSA-N 339.464 4.261 0 40 EIAB CC(C)C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 23054066 XWNOGQDLMUKNLA-SWDXFRIISA-N 327.468 4.285 0 40 EIAB Cc1ccc(-c2csc(CS(=O)(=O)c3ccc(C)cc3)n2)cc1 24992229 LHMSIIWVGQPMAB-UHFFFAOYSA-N 343.473 4.401 0 40 EIAB O=C(Nc1ccccc1Cl)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539827 RRQQFZRNKVRWLG-UHFFFAOYSA-N 339.704 4.487 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2F)c1 29764767 GSVICZOHPJAJGF-UHFFFAOYSA-N 342.153 4.171 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)NCCCSc1ccccc1 31550141 BNNKSHDHFIRHBD-VAWYXSNFSA-N 338.432 4.140 0 40 EIAB O=C(CNc1cccc(OC2CCCC2)c1)Nc1ccccc1F 32770463 QLULIZPDAUXUTH-UHFFFAOYSA-N 328.387 4.198 0 40 EIAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F 32851136 HFLSHCPPMBBRGF-BZNIZROVSA-N 332.806 4.083 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1 40286834 JFDCWJPOPLGAEP-INIZCTEOSA-N 337.354 4.144 0 40 EIAB O=C(NCCc1cccc2cccnc12)Nc1cccc2cnccc12 43160998 QQDQHMKONJSNJA-UHFFFAOYSA-N 342.402 4.147 0 40 EIAB Cc1cccc(Cn2cc(-c3cnn(Cc4cccc(C)c4)c3)cn2)c1 49574109 RBYMPKKAHKFXEO-UHFFFAOYSA-N 342.446 4.460 0 40 EIAB Cc1ccc(Nc2nc(C)c(C(=O)n3nc(C)cc3C)s2)c(C)c1 57352041 GLLWUPZBFYFJOI-UHFFFAOYSA-N 340.452 4.314 0 40 EIAB CC(C)(NCc1cc(F)cc2cccnc12)c1ccc2c(c1)OCO2 58173730 JEGPMCAKMVYBBE-UHFFFAOYSA-N 338.382 4.128 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccco1)c1cccc(F)c1 58228678 RFKCVUMRIBCFJD-GFCCVEGCSA-N 342.370 4.360 0 40 EIAB CCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C2CC2)cc1 58330466 PBDBHNGZMLMTQQ-LBPRGKRZSA-N 342.464 4.465 0 40 EIAB C[C@@H]1CN(C(=O)c2cccc3ccccc23)C[C@@H](c2ccccc2)O1 58427121 SLOUOPQKWSRCJR-IERDGZPVSA-N 331.415 4.442 0 40 EIAB CSc1cccc(N(C)C(=O)c2cnc(-c3ccccc3)nc2)c1 69458307 XKXNAPPVSCOTBR-UHFFFAOYSA-N 335.432 4.142 0 40 EIAB COCc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1 69527775 BXBNLQWCCVKHKJ-UHFFFAOYSA-N 346.377 4.308 0 40 EIAB Brc1cccnc1SCc1nnc(-c2ccccc2)o1 71914325 BSSDNEHBIFYBCU-UHFFFAOYSA-N 348.225 4.186 0 40 EIAB Nc1nc(-c2ccc(F)cc2)cc(-c2cccc(Br)c2)n1 71977707 IWADHGRAWJHAGD-UHFFFAOYSA-N 344.187 4.294 0 40 EIAB Cc1cccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)c1 71977739 YPLAZDVNKFJTFW-UHFFFAOYSA-N 340.224 4.464 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)CCOc2ccccc2F)n1 72273731 GBQSTICEFVCLHZ-HNNXBMFYSA-N 348.443 4.113 0 40 EIAB Clc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1 75156584 YRCCIUXLTSMZOF-UHFFFAOYSA-N 330.859 4.164 0 40 EIAB O=C(CCC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 85347827 XKSKXOBKOCEVIG-UHFFFAOYSA-N 335.172 4.434 0 40 EIAB CCCOc1c(Br)ccc2oc(C(=O)OCC)c(C)c12 85395627 PZQLNFVBFAUVPY-UHFFFAOYSA-N 341.201 4.469 0 40 EIAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nsc3ccccc23)C1 91351478 XGLMLYWYDCVHQT-ZDUSSCGKSA-N 347.484 4.132 0 40 EIAB c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)s2)cc1 95958382 TYQYZMZYCIIEFA-UHFFFAOYSA-N 349.503 4.128 0 40 EIAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2cccs2)C1=O 95960086 KALYSRFXWNKNEU-AWEZNQCLSA-N 349.452 4.201 0 40 EIAB Cc1nnc(CCC[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 97379548 UEXQRCMDDIMKMO-FPVGNUTFSA-N 347.267 4.127 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@@H]21 101392349 DAVJIYRGNCDSPN-FPAYPSAMSA-N 335.447 4.376 0 40 EIAB CSc1cccc(N(C)C(=O)c2cnn(-c3ccccc3F)c2)c1 101832675 YCIWMDZOQFMXBW-UHFFFAOYSA-N 341.411 4.010 0 40 EIAB C[C@@H](NC(=O)c1csc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107330846 CXSZPSXQMGFKFU-WDCWCFNPSA-N 328.275 4.065 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(OC)cc1 113960163 OYPGXKKVBHOLPP-MSOLQXFVSA-N 345.414 4.259 0 40 EIAB C/C(=C\c1cnc(C(C)(C)C)s1)c1nc2sccc2c(=O)[nH]1 180321463 YJBZJELNKFFHCH-VQHVLOKHSA-N 331.466 4.299 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 218972386 CPIKSZUDJHFGKN-YJBOKZPZSA-N 339.435 4.181 0 40 EIAB O=C(c1ccsc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219322865 WBIGIQQLGLJHMX-OAHLLOKOSA-N 339.432 4.347 0 40 EIAB COc1ccc(C)cc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219852401 BJMLFCTXXRIXJU-UHFFFAOYSA-N 338.451 4.167 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 223544034 PQCFWFBUOVYANE-UHFFFAOYSA-N 349.430 4.436 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2cc(C)cc(C)c2)c1 224032397 LHDHLUREOPDCIV-UHFFFAOYSA-N 325.452 4.123 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 224287790 FWRYZJGFMJGMLM-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB COc1ccc(CCCNC(=S)Nc2cccc(Cl)c2)cc1 225555757 XVAXPVTZOLIMQJ-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1 226255661 OIJHKQOVEQOCBO-UHFFFAOYSA-N 337.467 4.419 0 40 EIAB Cc1nccc([C@@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1 257280432 OKVBOXXQZKSCKU-OAHLLOKOSA-N 337.448 4.020 0 40 EIAB c1cncc(-c2ccc3c([C@H]4CCCN4Cc4ccco4)ncn3c2)c1 306135274 OMIFSVVIHRKXFR-LJQANCHMSA-N 344.418 4.326 0 40 EIAB O=C(c1ccc(Br)cc1Cl)C(F)(F)Br 307657727 BOLHSKXJZJGBOO-UHFFFAOYSA-N 348.368 4.273 0 40 EIAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 331815414 OLKMCJIHRDQONS-ZOWXZIJZSA-N 335.398 4.202 0 40 EIAB CCOc1c(/C=C2\Sc3ccccc3NC2=O)cccc1OC 409103011 CJVLJGXRKNIFAI-WJDWOHSUSA-N 327.405 4.179 0 40 EIAB C[C@H](NCc1cccc2c1CCNC2)c1nc(-c2ccccc2)cs1 635010408 KNMBMJGETASJPA-HNNXBMFYSA-N 349.503 4.307 0 40 EIAB O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1cccs1 348383 KVEUOJBTEBYFHK-UHFFFAOYSA-N 337.400 4.293 0 40 EIAB Clc1ccc(Cc2nn3c(-c4ccccc4)nnc3s2)cc1 384954 UQHUNOOLIDMBDY-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB COc1ccc(F)cc1-c1csc(NC(=O)c2cccs2)n1 419233 CBUHWYTXTOFYIE-UHFFFAOYSA-N 334.397 4.272 0 40 EIAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](C(C)(C)C)C2 483150 BDSWZNQFCZRKSB-LBPRGKRZSA-N 349.496 4.424 0 40 EIAB Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)s1 523005 OFSYMZBCAABWIK-UHFFFAOYSA-N 335.841 4.415 0 40 EIAB Cc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 533526 NUBTYXDKBTUJHS-UHFFFAOYSA-N 330.478 4.213 0 40 EIAB COc1cc(-c2nnc(-c3ccccc3Cl)o2)cc(OC)c1OC 784503 SGOMYAMUJOJAHZ-UHFFFAOYSA-N 346.770 4.083 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Cl)cc1 1981171 DUOFOSVRZOXQJB-GFCCVEGCSA-N 331.799 4.086 0 40 EIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccccc1C(F)(F)F 2515408 AZSXPAQCXNPKBE-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB CCOC(=O)[C@@H]1CN(N=O)[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 3845410 DPZKOOVUUPQRNK-GUDVDZBRSA-N 338.407 4.078 0 40 EIAB biogenic Cc1ccc([C@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 4854559 DRJDHLHEVJWEKJ-NRFANRHFSA-N 345.446 4.111 0 40 EIAB CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Cl)C2 4888123 WHUWNAZQBGNWBT-MQVJKMGUSA-N 334.891 4.255 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1c(F)cccc1Cl 5441626 HAFASLXPXMTOFH-UHFFFAOYSA-N 346.789 4.248 0 40 EIAB COc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 5498120 PCOOLTMLQVBANO-UHFFFAOYSA-N 346.386 4.347 0 40 EIAB Cc1ccnc(NC(=S)NCCSc2ccc(Cl)cc2)c1 7367979 QBJGYGXYOWEMKO-UHFFFAOYSA-N 337.901 4.122 0 40 EIAB Cc1nc2sc3c(c2c(-c2cccs2)c1C(N)=O)CCCC3 7813635 OPYJVPHYQCMDIM-UHFFFAOYSA-N 328.462 4.311 0 40 EIAB CCCCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 8316607 GAMBWVLKHUBTNZ-UHFFFAOYSA-N 336.435 4.408 0 40 EIAB CCSc1ccccc1C(=O)NCCSCc1ccccc1 8498572 ATVHOSWPYWSNBU-UHFFFAOYSA-N 331.506 4.462 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1C 9140053 GRJMRLWFTUKNBD-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB COc1cccc(CC(=O)N[C@H](c2ccccc2)c2cccs2)c1 9455999 LCDDTGKPVCUXAY-HXUWFJFHSA-N 337.444 4.205 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)c1 10544530 WODOOGSVVLJPSN-MRXNPFEDSA-N 333.435 4.200 0 40 EIAB CCn1/c(=N\C(=O)c2ccc(Cl)s2)sc2cc(F)ccc21 12180890 POBXKKLHKCIEHH-SAPNQHFASA-N 340.832 4.318 0 40 EIAB Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 12194651 SQCDFRCQHUVXOA-CYBMUJFWSA-N 347.418 4.025 0 40 EIAB CCc1ccc([C@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 12972694 KQOPZGAUGHDUOA-SFHVURJKSA-N 349.463 4.258 0 40 EIAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccnc2)N3)C1 13217756 LXKUVRGEYJNUFE-BLLLJJGKSA-N 341.480 4.148 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1OCC 14241485 OMXUJKDQYUINSD-UHFFFAOYSA-N 340.379 4.186 0 40 EIAB Cc1cc(SCC(=O)N(C)C2CCCCC2)nc2ccccc12 14361510 CYEUWDPMOBVNTQ-UHFFFAOYSA-N 328.481 4.426 0 40 EIAB Cc1ccc(NC(=O)CNc2ccccc2C)cc1Br 15288548 XYASCGSAVYBPHU-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB COc1ccccc1CCNC(=O)c1cc(F)c(Cl)cc1Cl 15536798 MPMXCJKDQPVEHS-UHFFFAOYSA-N 342.197 4.114 0 40 EIAB COc1cc(NC(=S)Nc2ccc(C)cc2C)cc(OC)c1OC 16213341 MKAWOXILIQYFPR-UHFFFAOYSA-N 346.452 4.138 0 40 EIAB Fc1ccc2[nH]cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)c2c1 16386013 QQOUAGPCNUJCIV-UHFFFAOYSA-N 348.168 4.257 0 40 EIAB Clc1ccc(COc2ccc(CNC[C@H]3CCCO3)cc2)cc1 16401553 HSQQLSHUKQWREC-LJQANCHMSA-N 331.843 4.188 0 40 EIAB COc1ccccc1CN1CCC[C@@H](c2nc(C)n3ccccc23)C1 19240681 ZNVZFNPGXXYOCN-GOSISDBHSA-N 335.451 4.031 0 40 EIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1C[C@@H]2C=C[C@H]1C2 19349673 ZIVZDTRYFDFXRC-TYNCELHUSA-N 328.412 4.024 0 40 EIAB CC[C@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1 19501001 MJHDXHCGSGLKMX-SFHVURJKSA-N 331.481 4.283 0 40 EIAB COc1cccc(-c2cc(C)nc([C@H]3CCCN3C(=O)C3CC3)c2)c1 19690653 HUSCPDIQXHNIPW-HXUWFJFHSA-N 336.435 4.139 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(F)cc1 19932712 UKRWMXYCBXTIEK-LJQANCHMSA-N 343.442 4.349 0 40 EIAB CCCc1nnc(SCc2cccc(Br)c2)n1CC 20034030 WXUNFYSZDIWNNR-UHFFFAOYSA-N 340.290 4.305 0 40 EIAB CCOc1ccccc1CNC(=O)COc1cc(C)c(Cl)c(C)c1 20043001 KASIVDZCASXBIF-UHFFFAOYSA-N 347.842 4.051 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20142121 WMMFLKCDFBQOSP-LLVKDONJSA-N 347.798 4.468 0 40 EIAB COc1cc(OC)c(NC(=O)N[C@H](C)c2cccs2)cc1Cl 20536174 KRJYSGUYKVLIST-SECBINFHSA-N 340.832 4.301 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 22529889 QWXZDBWIYVMBRI-OAHLLOKOSA-N 331.843 4.383 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccnc2)cc1 24535441 IHLGNEORKBZGNM-SFHVURJKSA-N 325.412 4.239 0 40 EIAB Cc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1C(F)(F)F 24748765 PHVYCDDMWXWKIL-UHFFFAOYSA-N 345.324 4.452 0 40 EIAB Cc1ccc(OCCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(C)c1 25949009 OQHFMELWGXSMBH-INIZCTEOSA-N 344.430 4.224 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCc1ccc(C(C)C)cc1 30855180 LHBAWSSLNQTXCY-QGZVFWFLSA-N 339.479 4.499 0 40 EIAB CCN(C(=O)CSc1nncc2ccccc12)C1=CCCCC1 40057600 DEODZODDPDWUNC-UHFFFAOYSA-N 327.453 4.028 0 40 EIAB CCc1nc(NC(=O)c2occc2COc2ccccc2)sc1C 40119005 XOGVPKHMHZPPPD-UHFFFAOYSA-N 342.420 4.438 0 40 EIAB c1ccc(C(NCc2c[nH]nc2-c2cccnc2)c2ccccc2)cc1 42903265 CWQPKWUYGVNYPP-UHFFFAOYSA-N 340.430 4.351 0 40 EIAB O=C(Nc1c(F)cccc1F)N[C@H](c1ccccc1)c1ccccn1 43265792 FJQGNBXKKXFWJC-QGZVFWFLSA-N 339.345 4.271 0 40 EIAB O=c1cc(CNc2ccc(-c3ccccc3)cc2)nc2sccn12 43304996 IKMXZQXUTZEYJW-UHFFFAOYSA-N 333.416 4.035 0 40 EIAB Fc1cc2c(c(CN(Cc3ccco3)C3CCCC3)c1)OCOC2 52076963 HZAAVVYFBPATCC-UHFFFAOYSA-N 331.387 4.230 0 40 EIAB Cc1noc(C)c1COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 62514615 BJKSAQKASXYRGA-UHFFFAOYSA-N 336.800 4.358 0 40 EIAB CC[C@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1 72295356 GBGAGUZYXOFJHV-IBGZPJMESA-N 326.440 4.207 0 40 EIAB O=S(=O)(Cc1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 77638572 YAQUHPDVOFOSGP-UHFFFAOYSA-N 340.775 4.394 0 40 EIAB CSc1ncccc1C(=O)N1CCC(=Cc2ccccc2F)CC1 79093665 YKENAGPXIDBUMK-UHFFFAOYSA-N 342.439 4.262 0 40 EIAB O[C@H]1COc2c(F)ccc(F)c2[C@@H]1Sc1ccc(Cl)cc1 85221447 XYALFOHXBMXTOG-SWLSCSKDSA-N 328.767 4.205 0 40 EIAB O=C(c1cccs1)c1ccc(CNC(=O)[C@@H]2CC=CCC2)s1 85474156 MIZUQPFEUUPAHS-GFCCVEGCSA-N 331.462 4.013 0 40 EIAB CCc1ccc([C@@H](Nc2cc(-n3ccnc3)ncn2)C(C)(C)C)o1 85707105 OCVVNLPASZKADN-QGZVFWFLSA-N 325.416 4.017 0 40 EIAB Fc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)c1ccccn1)CCO2 95419306 FDZWKGNCVPKWNJ-GHTZIAJQSA-N 334.394 4.424 0 40 EIAB COC(=O)Nc1ccc(CN[C@@H](CC(C)C)c2ccccn2)cc1 95420434 QKIFAWFYLPPEEI-SFHVURJKSA-N 327.428 4.137 0 40 EIAB COc1ccc(-c2coc3cc(OCc4ccon4)ccc3c2=O)cc1 95457390 DGYZIZKEEUVUGB-UHFFFAOYSA-N 349.342 4.036 0 40 EIAB CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1cc(Cl)sc12 95627729 PEWMVDIBIRMSAC-UHFFFAOYSA-N 343.876 4.200 0 40 EIAB C[C@@H]1[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)CCC[C@H]1C 106062271 VZBXUNRMKSPVAT-VKJFTORMSA-N 342.508 4.217 0 40 EIAB O=C(CCc1cc(Br)cs1)c1ccc2c(c1)OCO2 199737026 LPWVWDQGVDGTBC-UHFFFAOYSA-N 339.210 4.055 0 40 EIAB CC(C)CCNc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 199799644 CUDWCAXSYMJAJL-UHFFFAOYSA-N 327.766 4.005 0 40 EIAB CCOc1cc(C=O)ccc1OCCCCN1[C@@H](C)CCC[C@@H]1C 217798879 LDHAEMDAXYRTIE-IRXDYDNUSA-N 333.472 4.320 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 223465187 LUBXFDZWWJWUTG-SFHVURJKSA-N 327.424 4.283 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)Cc1cccc(Cl)c1 223734948 MYEQLHFZIKBIKA-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)c1 224288177 LBVSFMBRUKPNTG-MOPGFXCFSA-N 349.459 4.469 0 40 EIAB CCCOCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC 224411074 XHQUITKFVKMMFQ-OAHLLOKOSA-N 327.424 4.113 0 40 EIAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 224910071 WZAMALNIHOPXOT-UHFFFAOYSA-N 347.333 4.060 0 40 EIAB CO[C@@H](CNC(=O)Cc1ccccc1Cl)c1ccc(Cl)s1 225701662 HMUBMSRWAZISHW-LBPRGKRZSA-N 344.263 4.101 0 40 EIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 245241122 XNJOZXWLEFEFEX-JPPDAWHYSA-N 334.500 4.133 0 40 EIAB c1ccc(CN2CC[C@H](NCc3ccco3)[C@@H](c3ccccc3)C2)cc1 248085371 FCRZKCYWZIJWKU-PKTZIBPZSA-N 346.474 4.428 0 40 EIAB Cc1cccc([C@H]2CCCCN2C(=O)c2cnc([C@H](C)O)s2)c1C 252485431 GVOVRLKAZJNKLC-GOEBONIOSA-N 344.480 4.181 0 40 EIAB CCc1cc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc(O)n1 390833565 JJXXIBLACBWCAS-LJQANCHMSA-N 344.414 4.142 0 40 EIAB Fc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1 409104153 FTAOZXHUCLHMJK-UHFFFAOYSA-N 349.394 4.015 0 40 EIAB Cc1cc(C(=O)N=c2[nH]nc(C(C)C)s2)sc1-c1ccccc1 526052416 LZONTSCZINSBAG-UHFFFAOYSA-N 343.477 4.373 0 40 EIAB Cc1cccc(-c2noc([C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)n2)c1F 1615553268 WDKKOTQAZVNGDG-WYUUTHIRSA-N 342.292 4.007 0 40 EIAB C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 384373 KLIGXSGVUOCCJC-LBPRGKRZSA-N 346.814 4.200 0 40 EIAB Cc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)c(C)c1 502089 USWMWXCTVFUUJC-UHFFFAOYSA-N 337.448 4.286 0 40 EIAB CCN(Cc1ccccc1)C1CCN(Cc2cccc(F)c2)CC1 546524 YDNNEAXOSLWMBL-UHFFFAOYSA-N 326.459 4.312 0 40 EIAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(OC)c1 560913 CMPAVOZWFXHICT-AUWJEWJLSA-N 349.308 4.215 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(Cl)cc1C 574386 FGMINQZJKVZEFF-CSKARUKUSA-N 331.799 4.318 0 40 EIAB COc1ccc(-n2cnc3sc(-c4ccccc4)cc3c2=O)cc1 798345 DPXOMSYGFJNGFP-UHFFFAOYSA-N 334.400 4.123 0 40 EIAB aggregator CCN(CC)C(=O)c1sc2nc3cc(C)cc(C)c3cc2c1N 1342993 GWHNUUVIUPLKLK-UHFFFAOYSA-N 327.453 4.131 0 40 EIAB CCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1 2379714 UQXRULRWDBURJD-UHFFFAOYSA-N 328.364 4.173 0 40 EIAB O=C(c1ccc(CN2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 2514911 QOKAPTVTOWQCEF-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 2628807 ZSPVMQKUDWEMTM-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB O=C(COc1ccc2ccccc2c1)NCCc1cccc(Cl)c1 2734379 QEAUXBVAKUXDBW-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB Cc1cc(C(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl 2763390 DSWLBWKWEGABLV-UHFFFAOYSA-N 334.153 4.075 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2Cl)c1 3434153 FUEFZKMSJCHSLQ-UHFFFAOYSA-N 329.827 4.236 0 40 EIAB Cc1cccc(CSC2=NCCN2C(=O)c2c(F)cccc2F)c1 4120209 MECIBEOGDQIPIM-UHFFFAOYSA-N 346.402 4.018 0 40 EIAB CCCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@H](C)C2 4265129 QAVCLESTFGDLSB-CYBMUJFWSA-N 346.521 4.025 0 40 EIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c(C)c1 4322971 PEXBMZIZOAYZNO-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O[C@@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccco1 4934851 UNCNSZQWGTZHQX-WFXMLNOXSA-N 325.452 4.028 0 40 EIAB CC(=O)CCSc1nnc(-c2cccs2)n1-c1ccccc1 5109216 IBHLHNYQUQQKBL-UHFFFAOYSA-N 329.450 4.067 0 40 EIAB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1c[nH]c2ccccc12 5308222 ATIKNJBEWKVNRW-NSHDSACASA-N 339.416 4.146 0 40 EIAB Cc1cccc(CSc2nc3cc(Br)cnc3[nH]2)c1 5454572 VKSFXKWIHIGFIB-UHFFFAOYSA-N 334.242 4.321 0 40 EIAB CCc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccccc1)=N2 6519753 IKRMZOXAHSMJPQ-UHFFFAOYSA-N 326.403 4.078 0 40 EIAB Fc1ccccc1NC1=NN=C(c2cc3ccccc3o2)CS1 6671537 UDXGJBYDMRNZAL-UHFFFAOYSA-N 325.368 4.491 0 40 EIAB O[C@@]1(c2ccccc2)CC[C@H](c2ccccc2)[C@@]1(O)c1ccccc1 6864518 XQYDCDIWHVZGRN-ZLNRFVROSA-N 330.427 4.340 0 40 EIAB Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 6931913 FRULPFWYYJSAAK-UHFFFAOYSA-N 342.870 4.228 0 40 EIAB COc1ccc(-c2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1OC 7001503 HZMYFGMYYPWYMU-KBPBESRZSA-N 346.496 4.305 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c2c(c1)OCO2 7364620 BMSXMDSNSLDJNK-QGZVFWFLSA-N 344.798 4.045 0 40 EIAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1 7404489 VGODAVNDRYAQSX-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 8266437 FXTVLAQUPJRXSW-JKSUJKDBSA-N 334.891 4.407 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CCCCCC1 8270988 HGTKYBMBWJELLZ-UHFFFAOYSA-N 339.483 4.261 0 40 EIAB Cc1nnc2c3ccccc3nc(Nc3ccc(F)cc3Cl)n12 8594689 FZERNKAIDGCVMH-UHFFFAOYSA-N 327.750 4.122 0 40 EIAB COCc1c(C(=O)Nc2nc(C)cs2)sc2cccc(F)c12 9315920 YBEZYZPVSJMMBG-UHFFFAOYSA-N 336.413 4.204 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 9320910 YUPODKMEASNHEN-QGZVFWFLSA-N 347.418 4.182 0 40 EIAB O=C(O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 13688455 GIFVBFFBGDULAA-UHFFFAOYSA-N 345.398 4.422 0 40 EIAB CC(=O)c1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 14093235 KEHIFENMYVACGC-UHFFFAOYSA-N 328.755 4.172 0 40 EIAB COc1ccc(-n2ncc3c2C[C@@H](c2ccccc2C)CC3=O)cc1 14164198 JVEPOULCCVICPA-OAHLLOKOSA-N 332.403 4.102 0 40 EIAB Cc1c(C(=O)NC2CCN(C3CC3)CC2)oc2c1ccc1ccccc12 14197373 PULYIROWORCWLZ-UHFFFAOYSA-N 348.446 4.251 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCOc1ccccc1 15555003 NAUAEUXKUNODLC-UHFFFAOYSA-N 331.415 4.091 0 40 EIAB Cc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)c(C)c1 20369820 NHEQHUWYYOAECI-UHFFFAOYSA-N 333.416 4.330 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC 20452813 BKBCKLYESIAWIR-MRXNPFEDSA-N 341.451 4.131 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 22537966 AFJUPKPHTWFEST-OAHLLOKOSA-N 327.424 4.120 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1 23743340 KCKFPJDLAORSAE-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB COc1ccc(C)cc1NC(=O)Cc1nc(-c2cccs2)oc1C 24354390 UTXFOXOIMPACPY-UHFFFAOYSA-N 342.420 4.210 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 33297990 ICTGRCZYSQJGOC-UKRRQHHQSA-N 339.464 4.396 0 40 EIAB F[C@@]1(C2CCNCC2)c2ccc(Cl)cc2CCc2cccnc21 33968658 UTRNCHWURQHTSN-IBGZPJMESA-N 330.834 4.046 0 40 EIAB in-vitro O=C(Nc1ccc(SC2CCCC2)cc1)c1cnn2cccnc12 36395556 MQDVKRYSOAFCQI-UHFFFAOYSA-N 338.436 4.016 0 40 EIAB Fc1ccc(OCc2nnc(-c3ccccc3C(F)(F)F)o2)cc1 40083256 CMIVXSSRUCLTKC-UHFFFAOYSA-N 338.260 4.474 0 40 EIAB O=C(Cn1cnc2ccccc21)N(Cc1ccccc1)C1CCCCC1 40223996 IIQWWMUYFPRKFO-UHFFFAOYSA-N 347.462 4.398 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@H]2c1ccsc1 44916363 QKUWSMNFBNTJEY-ZDUSSCGKSA-N 338.388 4.361 0 40 EIAB CC(C)OCc1cccc(CNC(=O)c2ccc(F)cc2Cl)c1 49151401 QVGVZZGATDYFSM-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C)cs1 49544009 AHEHONSFKRLPLQ-UHFFFAOYSA-N 346.481 4.294 0 40 EIAB Cc1ccccc1[C@@H]1CCCN1Cc1nc(O)c2sccc2n1 53279256 ZXLHPWGAAUYTFH-HNNXBMFYSA-N 325.437 4.042 0 40 EIAB Cc1c(-c2csc(CCN3CCOC3=O)n2)sc2ccccc12 55049524 RTEFXXSNVSTJLI-UHFFFAOYSA-N 344.461 4.328 0 40 EIAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C1CCCC1)CO3 57140737 JEZRDZQBDQVMNH-UHFFFAOYSA-N 333.815 4.158 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1ccccc1OC 57870846 WAITZZGIUHKLHE-HNNXBMFYSA-N 340.467 4.109 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 58226611 BLDQDLSHJDHVDA-DYZYQPBXSA-N 332.831 4.316 0 40 EIAB CC(C)(C)N1CCCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 65535477 YXAUHAPLZYXAKI-UHFFFAOYSA-N 343.393 4.044 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC(c2ccc(O)cc2)CC1 65595800 FPIHCOYPTPBNFS-UHFFFAOYSA-N 348.446 4.244 0 40 EIAB CC(C)(C)c1cc(C[C@@H]2C[C@H](NCc3ccccn3)C2(C)C)no1 67889819 VLKBGUAQAPLZRR-PBHICJAKSA-N 327.472 4.114 0 40 EIAB biogenic,in-vitro C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccncc1 69705795 IWFYHVGOQWQNBB-CQSZACIVSA-N 336.464 4.452 0 40 EIAB CCc1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229497 GMGHWGMFTMSYNV-UHFFFAOYSA-N 339.222 4.156 0 40 EIAB CCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1OCC 78578223 SAFMSDGRCAIPBK-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CCc1nc2cc(NC(=O)c3cccn3Cc3ccccc3)ccc2o1 83830571 HWIKVRGRDJVPJM-UHFFFAOYSA-N 345.402 4.492 0 40 EIAB CC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(F)cc1F 84671082 GQNVUUGNERCHBU-BZNIZROVSA-N 336.382 4.100 0 40 EIAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(=O)O)s1 95348872 FGYNTPAICQZOCP-UHFFFAOYSA-N 343.404 4.027 0 40 EIAB C[C@H](CN[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)c(F)c1 95423493 YTTXEOOTKXWBBQ-HEWAKGLMSA-N 337.435 4.157 0 40 EIAB Cc1nc2c(s1)[C@H](N(C)Cc1noc(-c3ccsc3)n1)CCC2 95427800 PGWIRNZAFOQBQF-CYBMUJFWSA-N 346.481 4.072 0 40 EIAB O=C(Nc1c(F)cc(F)cc1Cl)c1cncc(Br)c1 95452204 CLNGGZMISVAISM-UHFFFAOYSA-N 347.546 4.028 0 40 EIAB COc1ccc(-n2cnc3c2[C@H](CC(C)C)SCC(O)=N3)cc1 95479109 ILKIGJGAHXIOIN-AWEZNQCLSA-N 331.441 4.303 0 40 EIAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cscn2)cc1 96991210 YWLGCIZYRIVTQU-MFOYZWKCSA-N 334.400 4.215 0 40 EIAB O=C(CCn1ccc2c(Cl)cccc21)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101729090 OAUQYNNDDHBWLQ-KKUMJFAQSA-N 328.843 4.013 0 40 EIAB COc1ccccc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170569243 VIUXXTUSZQCTGW-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(C)c1 222544703 JGFOZLJPBRWMEF-KRWDZBQOSA-N 331.843 4.467 0 40 EIAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2 224184522 ONHSPUPIVFGJRT-UHFFFAOYSA-N 341.407 4.019 0 40 EIAB Cc1ccc(NC(=S)NCCCOC2CCCC2)cc1Cl 225619355 MIHPIGIEZJFRCO-UHFFFAOYSA-N 326.893 4.284 0 40 EIAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 227147633 IVCAOLIHRQWFEX-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)COc1ccc(Cl)cc1 244955800 GAGWVIDWJMILIP-CYBMUJFWSA-N 343.810 4.212 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccccc1C(F)(F)F 390829960 HSQHKOBGPREKAL-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB C[C@@H](c1ccc(CN(C)Cc2nnc3ccccn23)cc1)C(F)(F)F 585086745 CAZKJUWUWBPUQR-ZDUSSCGKSA-N 348.372 4.027 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)Nc1cccs1 1775979040 YFPDOLVBXDBJJE-AWEZNQCLSA-N 344.461 4.332 0 40 EIAB CCCC[C@H](CC)Cn1nc2c(Br)ccc(C=O)c2n1 1776010934 IGWAQZSPRWJOJO-NSHDSACASA-N 338.249 4.223 0 40 EIAB CC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 63635 KMPJXXCKIZJLRA-UHFFFAOYSA-N 331.799 4.177 0 40 EIAB COC(=O)c1c(-c2ccccc2)[nH]c(C2CCCCC2)c1C(=O)OC 348056 FPVVZUZEVORSFU-UHFFFAOYSA-N 341.407 4.303 0 40 EIAB Cc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)c(C)c1 425607 OAEJYIJHAYELNA-UHFFFAOYSA-N 329.407 4.044 0 40 EIAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1Cl 514165 QITREOCRTCJNRS-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB Cc1ccc(N2CC=C(c3ccccc3)O[P@]2(=O)N2CC2)cc1 1577784 LHYCVMMGSGCGFL-HSZRJFAPSA-N 326.336 4.296 0 40 EIAB Cc1nc(SCC(=O)Nc2ccccc2)c2c(C)c(C)sc2n1 2652089 RNILAYCIHYKLQU-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCCc1ccccc1 2739078 HQGHLHXOQZDNQV-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCOc1ccc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)sc2c1 2766848 SEHFEUWSOXPZLE-GJZGRUSLSA-N 338.432 4.437 0 40 EIAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCCCC3)sc2n1 2960592 XLLJUXLIONECDU-UHFFFAOYSA-N 339.464 4.330 0 40 EIAB COc1ccc2nc(SCCCC(=O)c3cccs3)[nH]c2c1 4252238 JITQTPMPRVXDLH-UHFFFAOYSA-N 332.450 4.388 0 40 EIAB Fc1cccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)c1 4356569 STCCDCUMFNHFPQ-UHFFFAOYSA-N 340.379 4.304 0 40 EIAB Cc1nn(-c2ccccn2)c2c1-c1nc3ccccc3nc1C(C)(C)C2 4729289 WFXUAFJKEWSQQT-UHFFFAOYSA-N 341.418 4.020 0 40 EIAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 4854461 AYTPFTIZUBEDQE-HXUWFJFHSA-N 347.418 4.134 0 40 EIAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NC2CCCCC2)cc1 4854524 WBFXQRMNKSSJNC-HXUWFJFHSA-N 337.467 4.244 0 40 EIAB O=C(NCc1ccccc1)c1ccccc1OCc1ccc(F)cc1 5404552 TXWYIYAJEDXYQI-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB COc1cc(OC)cc(-c2nnc(SCCc3ccccc3)o2)c1 5435421 YLQCNDZXOFZZDX-UHFFFAOYSA-N 342.420 4.089 0 40 EIAB O=C(Nc1nnc(-c2ccco2)s1)c1ccc(Cl)cc1Cl 5477766 WYCGCSWHXINLAL-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB CCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OCC 6204694 QYWYCHWFEBUSMP-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB Cc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1C 7448159 LWCGTDGYQFRYGZ-UHFFFAOYSA-N 336.443 4.078 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 8739151 RWAKXOZLGZBEKI-UHFFFAOYSA-N 330.240 4.497 0 40 EIAB c1ccc(CCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 8991165 XMPMWMZPOXQHKG-UHFFFAOYSA-N 345.431 4.119 0 40 EIAB O=C(NCCc1cccs1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10092530 KNSIVOVJQKNPLK-LSDHHAIUSA-N 339.382 4.229 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)Cn4ccnc4)cc3)sc2c1 10809240 PVRFWMIZUPCBKB-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12817510 UBOMTDYCMHTQDK-UHFFFAOYSA-N 325.343 4.108 0 40 EIAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CC(C)C)cc1 12881688 JTPWCSXCJPTXBG-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1Cl 12889884 CZQJELCAFCNVID-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB COc1cccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)c1 13735610 RDHQZYSVPJVYRW-UHFFFAOYSA-N 337.379 4.121 0 40 EIAB CCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 14206763 KZORUZDCDSBJTH-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB Cc1sc2nc(-c3cccc(Br)c3)[nH]c(=O)c2c1C 16265918 YVBDOIRYICLRDJ-UHFFFAOYSA-N 335.226 4.031 0 40 EIAB COc1cccc([C@H]2SCC(=O)N2c2ccc(F)c(Cl)c2)c1 19926856 MCNWWHMCCFRGKV-MRXNPFEDSA-N 337.803 4.266 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(OC)cc1 20493334 LHGGVQBRVMTXBW-DYVFJYSZSA-N 347.842 4.383 0 40 EIAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)cc1 20632705 KIODMLQCORUXRC-MRXNPFEDSA-N 332.403 4.102 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC(c2ccccc2)CC1 23175309 JRYLQPXRUDXACH-UHFFFAOYSA-N 334.213 4.062 0 40 EIAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(F)c1 25213962 CVGHJTKDZQMWIK-SNVBAGLBSA-N 342.292 4.163 0 40 EIAB Cc1nnc(COC(=O)/C=C/c2sc3ccccc3c2Cl)o1 26582851 WBYQVVYJRHFPFJ-VOTSOKGWSA-N 334.784 4.003 0 40 EIAB Nc1[nH]nc(Sc2ccc(Cl)cc2)c1NC(=O)c1ccccc1 27562670 CKKOKMPBNFTVEH-UHFFFAOYSA-N 344.827 4.049 0 40 EIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C 27822717 MCTLWYLIZUERGK-CYBMUJFWSA-N 345.892 4.000 0 40 EIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc(C)ccc1C 28189476 QEXBKSQMTYYHFX-UHFFFAOYSA-N 341.436 4.077 0 40 EIAB C[C@@H]1Oc2c(C(=O)NCCCOC3CCCCC3)cccc2[C@@H]1C 32820878 MJWUQSXUZXMORT-CABCVRRESA-N 331.456 4.040 0 40 EIAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(Cl)c1Cl 32931276 JUSWHZMTRCQHPV-BXUZGUMPSA-N 330.255 4.319 0 40 EIAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ncccc2Cl)C1 40134935 OOPQHNMKXIMVNR-OAHLLOKOSA-N 349.906 4.181 0 40 EIAB Cc1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 48303480 GLKJFAUTNUJINA-UHFFFAOYSA-N 331.419 4.033 0 40 EIAB CSc1cccc(NC(=O)NC[C@H](C2CCCCC2)N(C)C)c1 58152351 XXLIMTWNZXENOG-QGZVFWFLSA-N 335.517 4.041 0 40 EIAB CC(C)[C@H](NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1 59741252 RMWPFTAQDICGCC-IBGZPJMESA-N 346.434 4.182 0 40 EIAB COc1ccc(-c2c(C(C)=O)c(=O)[nH]c3ccc(Cl)cc23)cc1 61957972 APNGTHGDDCHQDH-UHFFFAOYSA-N 327.767 4.060 0 40 EIAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3ccoc3)cc12 64607003 XHCCUVKQRPWTMF-UHFFFAOYSA-N 338.388 4.345 0 40 EIAB COc1ccc([C@@H](C)C(=O)Nc2ccccc2CN2CCCC2)cc1 69519695 OLUXGWOVUPPDLS-MRXNPFEDSA-N 338.451 4.033 0 40 EIAB CCN(C(=O)C[C@@H](C)c1cccnc1)[C@@H](C)c1cccc(OC)c1 70040460 XXTOHTZJKRIWSK-CVEARBPZSA-N 326.440 4.194 0 40 EIAB O=C(NCCN1CCCCCC1)c1sc2ccccc2c1Cl 71884742 SLQKPQWZFHBLRE-UHFFFAOYSA-N 336.888 4.161 0 40 EIAB Cc1ccc(C2(C(=O)Nc3ccc(C)c(F)c3)CCOCC2)cc1 72265200 TTZLUTIIMTYMEO-UHFFFAOYSA-N 327.399 4.129 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 72287819 HKDWYYDIWZTEIY-UHFFFAOYSA-N 343.770 4.384 0 40 EIAB COc1nc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc2ccccc12 84697875 MUWOQKSQYHCFPK-GMBSWORKSA-N 338.451 4.284 0 40 EIAB CCCc1ccc(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)cc1 89960448 KQBJNCPBJHYUPD-UHFFFAOYSA-N 341.480 4.237 0 40 EIAB O=C(Cn1ccc2ccccc21)O[C@H](c1ccccc1)c1ccccn1 95954197 RLOQVTQLSUTRLC-JOCHJYFZSA-N 342.398 4.369 0 40 EIAB C[C@H](c1ccccc1F)[S@@](=O)Cc1ccc(OC(F)F)cc1 96404386 DPSQQLOCLPCVAT-RKFFSXRUSA-N 328.355 4.437 0 40 EIAB CC(=O)Nc1cccc2c1CCN([C@H](C)c1ncc(C(C)(C)C)o1)C2 96447035 ZYMDZKSEGZQNIV-CYBMUJFWSA-N 341.455 4.050 0 40 EIAB CC(C)N(C)c1cccc(NC2CCN(Cc3cscn3)CC2)c1 97084620 QMKFDMICCVXAFF-UHFFFAOYSA-N 344.528 4.064 0 40 EIAB CC(=O)C(Sc1nnc(Nc2ccc(C(C)C)cc2)s1)C(C)=O 101403420 UBCMWBVYJDYGCG-UHFFFAOYSA-N 349.481 4.044 0 40 EIAB O=C1O[C@@H]2[C@H]3c4ccccc4[C@@H](c4c3cc(F)c3ccccc43)[C@H]2O1 104147678 LUKZZYYFPSQVQH-VNTMZGSJSA-N 332.330 4.474 0 40 EIAB Cc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 169311314 MFQYKKPLFPHEMD-JFIYKMOQSA-N 349.478 4.180 0 40 EIAB O=C(COc1ccccc1Cl)NCCCc1ccc(Cl)cc1 218847494 ADLGPZMFRXAIOE-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)CC(C)(C)O2 219489383 UMHHVOCKBHNIJK-QAPCUYQASA-N 339.435 4.181 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222863464 OBLOIEJUFGRTNH-QZTJIDSGSA-N 339.435 4.263 0 40 EIAB CCCOCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC 224412329 VIWGCKODOCCCPH-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB Cc1ccccc1OCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224991499 GEPQXCQPSXYBOK-UHFFFAOYSA-N 347.842 4.001 0 40 EIAB Cc1ccc(C(=O)NCCCN2CCCc3ccccc32)c(Cl)c1 225005032 XROSSSBKNSUSRL-UHFFFAOYSA-N 342.870 4.221 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 225301264 ZRZZTIMRAYHGJG-MRXNPFEDSA-N 347.462 4.293 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(Cl)cc1 225309033 GYIGLMOYUARSEW-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB c1ccc(OCc2cscn2)c(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 253369800 IGWZEKRACFEXMG-ZTFGCOKTSA-N 342.464 4.092 0 40 EIAB c1coc(CN2Cc3ccccc3[C@@H](c3nccn3CC3CC3)C2)c1 306142981 XPSICGNPZHVJLL-FQEVSTJZSA-N 333.435 4.034 0 40 EIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCc2ccccc2O1 390831699 UGMSRCBQEDNFAW-AEFFLSMTSA-N 347.524 4.293 0 40 EIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1 408773912 TZEOIDACAWCYCG-JTXWTEDTSA-N 336.460 4.405 0 40 EIAB CCCSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 409097960 OYGJHXKVYKELSL-UHFFFAOYSA-N 327.428 4.499 0 40 EIAB CCCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1OCC 409378973 TTZVXZGTJBPLPI-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB CC(C)c1ccc([C@@H](Nc2cnn(C)c(=O)c2Cl)C(C)C)cc1 507143313 NEMMLTQNHDFSKR-KRWDZBQOSA-N 333.863 4.366 0 40 EIAB C1=C(c2c[nH]c3ncccc23)CCN(CCSc2ccccc2)C1 533478965 BLXXIMDMMLEANE-UHFFFAOYSA-N 335.476 4.444 0 40 EIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cc(C)ccc1OC 1565524286 HRLYSCDLKLQOFX-UHFFFAOYSA-N 341.436 4.066 0 40 EIAB CCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 31399 DRQJSDYVORTCEY-YWZLYKJASA-N 336.435 4.316 0 40 EIAB Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 41315 MHUUVIJCGFJNRS-UHFFFAOYSA-N 342.251 4.131 0 40 EIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 505692 BNHDUHXWCHCYML-AWEZNQCLSA-N 325.408 4.420 0 40 EIAB Cc1c(Cl)c(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)nn1C 2804600 JXSFOCZKZNUOCO-UHFFFAOYSA-N 342.708 4.118 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCCC1 3215695 WMBXQZYSDAJXAQ-SUMWQHHRSA-N 348.899 4.357 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2c(s1)CCCC2 3297338 HEAWIFGILDXKAZ-UHFFFAOYSA-N 340.370 4.222 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)c1 3327634 HAOZUNDNAQSWLV-RMKNXTFCSA-N 346.224 4.418 0 40 EIAB O=C(NCCOc1ccc2oc3ccccc3c2c1)c1cccs1 3901401 XFSJVYBSUQYDPH-UHFFFAOYSA-N 337.400 4.456 0 40 EIAB CCCOc1ccccc1[C@H]1NC(=O)c2c(sc3c2CCCC3)N1 4150492 MZPKFJTUEIYLHP-KRWDZBQOSA-N 342.464 4.270 0 40 EIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21C 5228340 IMONTRJLAWHYGT-FTMCFMMZSA-N 340.463 4.063 0 40 EIAB Cc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1 5317950 MKALSLIIBZYLQZ-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB O=C(COc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1 6332808 YQXJWDLEJQNNGI-UHFFFAOYSA-N 345.704 4.098 0 40 EIAB COc1ccc(CNC(=O)c2sc(-c3cccs3)nc2C)cc1 6789141 GAPIEDUBYAZFOE-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F 6831153 LGGVJHCTAUPYSX-UHFFFAOYSA-N 332.335 4.127 0 40 EIAB O=C(NCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccs1 8132085 IBFNHGWLNNHXKT-UHFFFAOYSA-N 349.415 4.124 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2c1 8166194 COCKBKMTMFNGKF-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c(OC)c1 8269852 VLTHDICAZQPVHZ-ZDUSSCGKSA-N 331.437 4.132 0 40 EIAB O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1cccs1 9451133 QRCZTJOADJRKFX-UHFFFAOYSA-N 329.402 4.427 0 40 EIAB COc1ccc2cc(CNC(=O)c3ccc4ccccc4n3)ccc2c1 9872236 HEMCOBXPENRFSL-UHFFFAOYSA-N 342.398 4.327 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(CC)cc2)c1 10445600 DEVDXHUJFBYUGV-UHFFFAOYSA-N 339.435 4.305 0 40 EIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc(F)cc(F)c1 11361675 CMKHGYHOOJWAPB-UHFFFAOYSA-N 342.301 4.062 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC[C@@H]1CCCO1 11594418 JUSVCXAEPNFNMZ-ZDUSSCGKSA-N 337.828 4.108 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1ccncc1 12539123 MRXKRNKXWSHTOQ-SFHVURJKSA-N 347.418 4.033 0 40 EIAB Cc1cccnc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12595117 BIQCPSQTXBQOGN-UHFFFAOYSA-N 337.427 4.091 0 40 EIAB COc1ccccc1CN(C)C(=O)c1c2c(nc3ccccc13)CCC2 12972795 ZPNSQKGYECVFNI-UHFFFAOYSA-N 346.430 4.004 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 20044589 LTUWMJMEICSBTL-UZLBHIALSA-N 341.451 4.347 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 20046903 ZBOPRHOMTMVUGS-MRXNPFEDSA-N 341.451 4.131 0 40 EIAB Cc1ccc(C2(C(=O)Nc3ccc4c(c3)OCCO4)CCCC2)cc1 20096592 HLHUPLBIPUQNTN-UHFFFAOYSA-N 337.419 4.217 0 40 EIAB Cc1ccc(C(=O)Nc2cncc(-c3nc4ccccc4o3)c2)cc1 20100693 WUJOZNLAOGHZEQ-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=C(NCC1CCN(Cc2cccs2)CC1)c1ccccc1Cl 23128067 IYIWNYLLLXITNQ-UHFFFAOYSA-N 348.899 4.044 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 31903840 OWPVLYVOZVKXNW-TVQRCGJNSA-N 336.284 4.159 0 40 EIAB O=c1[nH]c(CSCc2c(F)cccc2Cl)nc2ccccc12 32891556 XSHQOOYXCGRITR-UHFFFAOYSA-N 334.803 4.149 0 40 EIAB O=C1OCCN1CCc1nc(-c2ccc(Cl)cc2Cl)cs1 32927810 PTAIMYGTQBKKAE-UHFFFAOYSA-N 343.235 4.112 0 40 EIAB Cc1cc(C)cc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)c1 35681869 VWLVVCWWFHTCQG-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB CC1CCC(NC(=O)c2ccccc2C(=O)c2cccs2)CC1 36395444 ROOUWDOYXUMEQB-UHFFFAOYSA-N 327.449 4.288 0 40 EIAB CCn1ncc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3ccccc3)nc21 36616836 UYRYLDYJTKWPPI-HNNXBMFYSA-N 348.450 4.133 0 40 EIAB Cc1ccc(SCCNC(=O)CSCc2ccc(F)cc2)cc1 38755952 NQOYBNBRBDVCFH-UHFFFAOYSA-N 349.496 4.276 0 40 EIAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1 40030644 MOAZZFURQCAGQX-UHFFFAOYSA-N 349.475 4.263 0 40 EIAB Cc1ccc(C(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)cc1 40068642 PUGBSTVGSCSZTG-FMIVXFBMSA-N 335.432 4.259 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 40150768 OWGRLIVQRVQOOF-UHFFFAOYSA-N 328.721 4.243 0 40 EIAB CCOC(=O)c1cnc2ccccc2c1N1CCC(n2cccc2)CC1 50932079 BYOODRKDDNISCJ-UHFFFAOYSA-N 349.434 4.055 0 40 EIAB CCOc1ccc(OC(=O)/C=C/c2c(Cl)nc3sccn23)cc1 58377469 XEVCEGBMFKNDKJ-BQYQJAHWSA-N 348.811 4.067 0 40 EIAB CNc1nc2c(s1)[C@@H](c1cccc(OCC(C)C)c1)CC(O)=N2 61720449 RYHIBMGJNZVGJY-CYBMUJFWSA-N 331.441 4.343 0 40 EIAB CC[C@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC 66065959 RNCWKUCWPBNWOH-RFHGFXIBSA-N 333.516 4.292 0 40 EIAB biogenic,in-vitro CCN(CCC(F)(F)F)C(=O)C(=O)c1sc2ccccc2c1C 69378591 POUPVASIPUKFDE-UHFFFAOYSA-N 343.370 4.193 0 40 EIAB COc1ccccc1-c1nnc(SCc2cccc(N(C)C)c2)o1 71921910 QBJNUUGSSIZMJI-UHFFFAOYSA-N 341.436 4.104 0 40 EIAB Cc1cc(C(=O)c2ccccc2)cnc1N1CCc2ccccc2C1 72222844 IMMVBEBZUBPYCW-UHFFFAOYSA-N 328.415 4.184 0 40 EIAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)C(C)C)c(C)c3s2)n1 72228548 UFXONNMNUFKFDP-UHFFFAOYSA-N 342.468 4.310 0 40 EIAB Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc3ccccc3n2)cc1 76021907 BXJMBZHVXGXOHP-FQEVSTJZSA-N 331.419 4.306 0 40 EIAB Cc1c(Cl)c(CN2CCO[C@@H]3CCCC[C@@H]32)nc2ccccc12 84068109 DJQQEJJRDGZHND-ZWKOTPCHSA-N 330.859 4.340 0 40 EIAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=S)NCc1cccs1 84718146 ZTDVPVHSOJJAGK-GFCCVEGCSA-N 341.505 4.223 0 40 EIAB CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 84801076 YSQQKJNSSLFBLW-HUUCEWRRSA-N 342.266 4.124 0 40 EIAB CC(C)(C)OC(=O)NC[C@H]1CCCN([C@@H]2CCCc3ccccc32)C1 95376637 LESKDYXXNAAZAE-VQIMIIECSA-N 344.499 4.301 0 40 EIAB CS[C@H]1CCCC[C@@H]1NCC1(c2ccc(F)cc2)CCOCC1 95967431 MUNJNPOELPDDNT-ROUUACIJSA-N 337.504 4.138 0 40 EIAB Cc1cc(C)c(NC(=O)CCCN(C)Cc2c(C)noc2C)c(C)c1 96479687 IGIGLYJOXRWXOV-UHFFFAOYSA-N 343.471 4.067 0 40 EIAB CCCCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 100596320 SCYGGCDCGJZWAB-RTBURBONSA-N 341.451 4.491 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)s1 106759536 RMROWZPJXSZNTF-PTNGSMBKSA-N 345.445 4.172 0 40 EIAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@@H](c2ccco2)CC1 219366171 DAGVHXBMWXTDFG-QGZVFWFLSA-N 326.421 4.081 0 40 EIAB CCOc1ccc(CNC(=O)CCc2cccc3ccccc23)cc1 222673768 BUYDKSYAEZVVDC-UHFFFAOYSA-N 333.431 4.488 0 40 EIAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc2c(c1)CCC2 223205308 KQFRQFOVONFRRA-ZDUSSCGKSA-N 329.827 4.085 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1 224927406 MCDQWMFQKJORSJ-GOSISDBHSA-N 342.414 4.222 0 40 EIAB COc1cccc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 225899018 JPJCNJDDCZOHPO-UHFFFAOYSA-N 342.782 4.280 0 40 EIAB O=C(O)CCC/C=C/C/C=C/C=C/[C@@H](O)C/C=C\CCCCCO 299888545 NUPDGIJXOAHJRW-CGGZAGADSA-N 336.472 4.160 0 40 EIAB Cc1cc(C)c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 409237878 JHYZKDGATQKSII-LICLKQGHSA-N 340.810 4.363 0 40 EIAB C[C@H]1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)[C@H]1CO 561689506 QAVZJPFEWMMZFK-VFZGTOFNSA-N 326.774 4.033 0 40 EIAB O=C(/C=C/c1cccs1)NC[C@H](c1ccsc1)c1ccco1 618257290 UFDNWWDVDILUSV-LLYBFZRZSA-N 329.446 4.364 0 40 EIAB COc1ccccc1-c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)o1 502619 POHASHOTFWRJLH-GHRIWEEISA-N 345.354 4.300 0 40 EIAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1 586788 FRJCGJPVLCLJKQ-UHFFFAOYSA-N 331.268 4.387 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C)nc1 826035 JAAHDSXYYLQDAA-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB FC(F)(F)c1ccc(Cn2c(-c3cc[nH]n3)nc3ccccc32)cc1 1406563 XEHHOUHGPGLOKQ-UHFFFAOYSA-N 342.324 4.494 0 40 EIAB CC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)n1-c1ccccc1 1440327 PJJLCCQEKCTRRH-CQSZACIVSA-N 338.436 4.081 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 3279396 FTRKAGJVCXVVRQ-CQSZACIVSA-N 349.789 4.155 0 40 EIAB c1ccc(-c2nnc(SC[C@@H]3CCCO3)nc2-c2ccccc2)cc1 3379111 FNAUWAQVSINIOV-KRWDZBQOSA-N 349.459 4.477 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)c1 4188422 GZVRTQCOSBIBFK-UHFFFAOYSA-N 340.404 4.344 0 40 EIAB Cc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccccc1 4815271 PIJLGBZDPFWSKU-ZZEZOPTASA-N 342.851 4.457 0 40 EIAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c(C)c1 5196446 UQQIAGUAPYYAPZ-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB COCCn1cc(NC(=O)Nc2cccc(F)c2)c2ccccc21 5266478 YJYAFQJGPPPUPG-UHFFFAOYSA-N 327.359 4.071 0 40 EIAB Cc1ccc([C@@H](CCNCCCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 5348423 DJFIHPNECOPQER-NHCUHLMSSA-N 346.559 4.215 0 40 EIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)Cc1ccccc1 5629214 PHNSJFGWUSUGQU-CYBMUJFWSA-N 342.489 4.436 0 40 EIAB CCN(CC)CCN(C(=O)/C=C/c1ccccc1)C1CCCCC1 6382168 VMJVPWFGZXYKGR-FOCLMDBBSA-N 328.500 4.203 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(OC)c2)C1=O 6656678 DABFGICSCWQCGH-JASJWYONSA-N 349.452 4.319 0 40 EIAB CC(C)Sc1nnc(CSc2nc3ccccc3s2)n1C 6881227 GYANWURYHPAJLO-UHFFFAOYSA-N 336.511 4.218 0 40 EIAB COc1ccc(CC(=O)N(C)c2ccc3ccccc3c2)c(OC)c1 7737639 PFTVGHGDKLIWLR-UHFFFAOYSA-N 335.403 4.063 0 40 EIAB CCOc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1OC 7973293 SLYUMTPYAHHKJO-UHFFFAOYSA-N 339.313 4.365 0 40 EIAB O=C(CSc1ccccn1)N[C@@H](c1ccccc1)c1cccs1 8213131 CKNKJQDRGOGYKG-SFHVURJKSA-N 340.473 4.141 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(s1)CCCCC2 8231335 BGOLWOFQLARUFF-UHFFFAOYSA-N 343.448 4.431 0 40 EIAB CC[C@H](C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 8406121 XSAPWAIXKQLCRM-IBGZPJMESA-N 338.451 4.301 0 40 EIAB Cc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1 12821162 XPVHHSOSRXMCMQ-UHFFFAOYSA-N 335.403 4.290 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13671654 FJHQHBVXPBIDIP-CQSZACIVSA-N 341.451 4.492 0 40 EIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSC(C)(C)C 13708424 JDGKXBUGUHSZFD-AWEZNQCLSA-N 331.481 4.255 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(C(C)=O)c2)cc1Cl 13935145 MSICSFBCKDPXSH-UHFFFAOYSA-N 334.828 4.360 0 40 EIAB O=Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)o1 14162091 CCPJSXDYLKWUMS-UHFFFAOYSA-N 340.191 4.335 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 18150108 CQMRPWPUXXMTIA-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB S=c1sc(S)nn1CCOc1ccc(Cl)cc1Cl 27233743 HTMGFULFUMPKHP-UHFFFAOYSA-N 339.294 4.349 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 30873458 MSUUQSMYZQLDRG-LBPRGKRZSA-N 348.240 4.418 0 40 EIAB O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30944057 SKPBXDUMWUFGHC-SFHVURJKSA-N 346.490 4.267 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 31903838 OWPVLYVOZVKXNW-ZANVPECISA-N 336.284 4.159 0 40 EIAB O=c1[nH]c2ccc(Nc3cc(C(F)(F)F)nc4ccccc34)cc2[nH]1 32902980 TXCCOTLZAWXFKM-UHFFFAOYSA-N 344.296 4.167 0 40 EIAB CCOc1ccc(Br)cc1C(=S)N1CCCCC1 33779596 GQTXQZLLJVUVTQ-UHFFFAOYSA-N 328.275 4.009 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 36775821 VHGCIEFWHYLLLE-WFASDCNBSA-N 330.453 4.064 0 40 EIAB CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OC)c3C[C@H]2C[C@H]1O 38307002 DOKGVQFKRMEKJX-ZFORQUDYSA-N 346.511 4.128 0 40 EIAB COc1ccc(CN[C@H](c2ccccc2)C(C)C)c(OC)c1OC 39985623 UDEQKYISFRPRFA-SFHVURJKSA-N 329.440 4.199 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cccs2)c1 43388674 BGGHQLWBGOXFGU-OAHLLOKOSA-N 344.436 4.212 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc(Cl)c1 44900553 HTYYEKRCDPKUDT-KRWDZBQOSA-N 347.842 4.213 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C 48355649 AMHTYSMKMZIUOP-RTBURBONSA-N 327.468 4.337 0 40 EIAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCCC[C@@H]1c1ccncc1 49764934 UXOVRRGRJJDKIX-VAMGGRTRSA-N 338.426 4.468 0 40 EIAB COc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1-c1ccccc1 51343832 NAALLCWNIIPXDT-UHFFFAOYSA-N 347.414 4.340 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1 51354307 NBZSYPNNDTTXNM-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB COc1cc(N)cc2sc(Nc3nc4cc(C)cc(C)c4o3)nc12 57352676 XVTVXPRVVAEKLH-UHFFFAOYSA-N 340.408 4.389 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 58222816 OTVKYHQXDVODCK-LBPRGKRZSA-N 328.412 4.355 0 40 EIAB Cc1ccc(CCC(=O)NCCCOCCc2ccccc2)c(C)c1 59581983 YJIOVZREWAMKIT-UHFFFAOYSA-N 339.479 4.002 0 40 EIAB CC[C@](O)(c1cccc(OCc2ccccc2)c1)[C@@H](C)CN(C)C 65734673 BYTDRZBEHCAVQA-LAUBAEHRSA-N 327.468 4.061 0 40 EIAB in-vitro Cc1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c(C)c1 69486113 ZXEOJUUQAZFVFK-UHFFFAOYSA-N 337.467 4.062 0 40 EIAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccc(F)cc1 71282704 BJTGLKCZEFHTDL-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)CC1CCCCC1 72230486 WWTIMVCTVRTDBW-ZDUSSCGKSA-N 329.893 4.243 0 40 EIAB CCOc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C 75437352 KRVLIKCGDSUSRE-UHFFFAOYSA-N 333.391 4.103 0 40 EIAB CC[C@@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1nccs1 89948037 JQTBKVZPNMBPCP-MRXNPFEDSA-N 347.459 4.498 0 40 EIAB COCCS[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 95414721 BABWMMYLCKXCHV-QMMMGPOBSA-N 333.240 4.484 0 40 EIAB Clc1cc(CNc2cccc(-n3cnnc3)c2)c2ncccc2c1 95428719 HSDHIPJNLNBTOO-UHFFFAOYSA-N 335.798 4.081 0 40 EIAB CC(=O)OCCCc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 96012058 KDZAOEKWXHJUOC-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB O=c1[nH]c2c(s1)[C@@H](c1ccc(F)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100922533 XCRBMTDUYFRNSW-IGJDLRFWSA-N 333.453 4.228 0 40 EIAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 102298031 IDNGCYIMAWTMQX-BYNQJWBRSA-N 347.480 4.034 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCc2sccc2[C@H]1c1cccs1 102504711 JKJGXPKYGPFPOM-ATZCPQFDSA-N 341.501 4.496 0 40 EIAB Nc1nnc(/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)o1 216905782 QJIIAAVLNLCGAQ-RMKNXTFCSA-N 327.771 4.055 0 40 EIAB O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccccc2F)CC1 219074122 GPVLINXVNMKLPA-OZSKJFCKSA-N 331.412 4.139 0 40 EIAB CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2)CC1 220829248 BGBROHIDRTXSME-UHFFFAOYSA-N 343.858 4.411 0 40 EIAB CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1C 222961650 ZPLAFMACKCCABE-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 223059766 LXIZLSFACGZKSK-IBGZPJMESA-N 347.455 4.134 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)cc1 223659742 ZCEBBHCFPDEYTI-HXUWFJFHSA-N 339.435 4.370 0 40 EIAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224974473 DNIMZSHPOHNAKJ-UHFFFAOYSA-N 341.885 4.277 0 40 EIAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 225480189 XUKDLXFGNYJMOW-MRXNPFEDSA-N 342.464 4.219 0 40 EIAB CCOc1ccc(NC(=O)NCc2ccnc(-c3ccco3)c2)cc1 225657808 VSLJXCOWCRWREN-UHFFFAOYSA-N 337.379 4.062 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCc1cccnc1-c1ccncc1 225749590 XNQGWZKEBJRNBM-BQYQJAHWSA-N 349.821 4.127 0 40 EIAB COc1cc(CO)cc(CSC)c1OCc1ccc(Cl)cc1 226288368 KXBAMHPYVHIRIG-UHFFFAOYSA-N 338.856 4.283 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1N 226349751 VMCKRALUXTUYRC-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCNC2)n1 256050389 DVHJDESFFRFYRD-GFCCVEGCSA-N 335.835 4.036 0 40 EIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1 409228474 ZAUIDDUUDIDAHK-CPNJWEJPSA-N 348.446 4.385 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2ccsc2)C1 675008420 XSBLHLBMDOILPV-GFCCVEGCSA-N 325.355 4.397 0 40 EIAB CC[C@H](NC(=O)N1CCC[C@@H](OC2CCC2)C1)c1csc(C)c1 1616031368 QFXHUHSCWVYTJF-SJORKVTESA-N 336.501 4.251 0 40 EIAB CCc1cc(=O)n(Cc2ccc(SC)cc2)nc1-c1ccccc1 1656641698 VKJVGXLLOKXHPU-UHFFFAOYSA-N 336.460 4.243 0 40 EIAB O=c1cnn(Cc2ccccc2)c(Cl)c1SCc1ccccc1 385724 JGFTUXFMQVDOIY-UHFFFAOYSA-N 342.851 4.237 0 40 EIAB Cc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 507616 DKAUTBMKQPDRNJ-FQEVSTJZSA-N 340.382 4.314 0 40 EIAB O=C(c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 1326591 KFOYFCATJBKIAZ-UHFFFAOYSA-N 328.462 4.378 0 40 EIAB COc1cccc(OC)c1OCCCCCCNCc1ccco1 2282040 MZMURMMNVUIRNT-UHFFFAOYSA-N 333.428 4.026 0 40 EIAB COc1ccccc1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 2651279 SLWCKPXOGISXMR-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2ccccc21 3326811 IOEJZRHOEAUCCS-SFHVURJKSA-N 332.403 4.457 0 40 EIAB COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1 3451218 KACYIDRIFUHBGE-UHFFFAOYSA-N 348.449 4.288 0 40 EIAB CCOc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12 4061311 CCBJLCSGHGKAMH-UHFFFAOYSA-N 339.464 4.022 0 40 EIAB COc1ccc2c(c1)Oc1cc(O)ccc1[C@H]2c1ccccc1C(=O)O 4557094 PZRDLOPGAADAPQ-HXUWFJFHSA-N 348.354 4.385 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 4905166 MVPZIIXKEANFCY-SDDRHHMPSA-N 330.255 4.265 0 40 EIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Cl)cc1 5441669 DPSVINXHYPJIKW-UHFFFAOYSA-N 328.799 4.109 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(OCC)cc2)cc1 6405708 CQABTSRAIMZPDM-UHFFFAOYSA-N 341.407 4.086 0 40 EIAB CCOc1cc2nc(-c3ccccc3Cl)oc(=O)c2cc1OCC 6610458 LWNRVMICSLHQLS-UHFFFAOYSA-N 345.782 4.306 0 40 EIAB COc1ccccc1OC(=O)COc1ccccc1Cc1ccccc1 7668482 DLEINCJOTFRYGT-UHFFFAOYSA-N 348.398 4.270 0 40 EIAB O=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21 7779507 SDADXQVOWXWXNQ-IBUXMESJSA-N 328.415 4.442 0 40 EIAB O=C(Cc1cccs1)N1CCC(c2nc3ccccc3s2)CC1 8086311 FYBCBUJUXILQEO-UHFFFAOYSA-N 342.489 4.307 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Cl)cc1Cl 10543012 OABYXKBQJKTLII-CQSZACIVSA-N 343.298 4.378 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ncccc1Cl 11250983 DAWMXSKQOIPPTD-NSHDSACASA-N 336.844 4.171 0 40 EIAB Fc1ccc(-c2cnc(COc3ccc(-c4nnco4)cc3)o2)cc1 11746952 IXLOONKOVZWXES-UHFFFAOYSA-N 337.310 4.110 0 40 EIAB Cc1cc(C)nc(Oc2cccc(NC(=O)c3cccc(F)c3)c2)n1 12089907 PZZPWXRQTXAUMM-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 12746505 LLALBILGDOVHAF-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB COc1ccc(-c2nc(COC(=O)[C@@H]3CC=CCC3)cs2)cc1 12774922 GJPOKUIHUWWLPU-CQSZACIVSA-N 329.421 4.218 0 40 EIAB Cc1cc2cc(CNc3cc(Cl)ccc3O)c(=O)[nH]c2cc1C 13561626 RLDCDCZKAQAMRN-UHFFFAOYSA-N 328.799 4.116 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2)c1 13793255 WJSMTGQUEWCTKZ-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB CCCCCc1nnc(NC(=O)COc2ccccc2C(C)C)s1 14714072 AJQDGARYJUQUKB-UHFFFAOYSA-N 347.484 4.412 0 40 EIAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 15525372 KLOJYXWANZDYOG-GOSISDBHSA-N 337.419 4.052 0 40 EIAB Fc1ccc(F)c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 19346901 GBIXXNFFRHLELU-AWEZNQCLSA-N 327.378 4.221 0 40 EIAB O=C(C1CCCCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19406788 UCJYACBEPVIALR-UHFFFAOYSA-N 345.468 4.084 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(N)c2)c1 19736465 OXEXIAUKQFAXCL-UHFFFAOYSA-N 332.831 4.372 0 40 EIAB O=C(NC[C@@H]1CCCO1)c1ccc(CSCc2ccccc2)cc1 20238938 KRANLUHIPDNXCH-IBGZPJMESA-N 341.476 4.029 0 40 EIAB O=C1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2N1 21891889 DBHUFHXIZATWGU-LLVKDONJSA-N 335.190 4.058 0 40 EIAB Cc1cc(N)nc(SCc2nc3ccccc3c(C)c2Cl)n1 22133205 JLRTYXCQBCLMLE-UHFFFAOYSA-N 330.844 4.170 0 40 EIAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1F 22181982 VETIPIZKIRYEOO-UHFFFAOYSA-N 347.695 4.308 0 40 EIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OCC 26637670 SKUCNANJDYSZIB-ZDUSSCGKSA-N 331.387 4.114 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1C 27582505 GPNNWZGKIMXBQG-UHFFFAOYSA-N 342.424 4.186 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)n1 27970419 CVHMPBZQAIXFBK-KRWDZBQOSA-N 345.446 4.140 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 28008668 IMWOQAPVTFAGPZ-HNNXBMFYSA-N 326.465 4.406 0 40 EIAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@H](C)C[C@@H](C)C1 29515691 FGPBGMZFUHHYCY-VXGBXAGGSA-N 336.501 4.159 0 40 EIAB CCC[C@H](C)NC(=O)CSCc1cc(-c2ccc(C)cc2)no1 30527447 GVYHGWUHHXJPRV-AWEZNQCLSA-N 332.469 4.188 0 40 EIAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Cl)cc1 31094877 XGJLBXPNUPAGHR-UHFFFAOYSA-N 344.842 4.210 0 40 EIAB COc1cc(-c2ccc(SC3CCCC3)nn2)cc(OC)c1OC 36652413 LGJSCICYXPYPGZ-UHFFFAOYSA-N 346.452 4.204 0 40 EIAB COC(=O)c1cc(Nc2cc(C)ccc2OC)c2cccc(F)c2n1 38486941 JMHWRQHMQSHXDF-UHFFFAOYSA-N 340.354 4.221 0 40 EIAB COc1ccc(Cl)cc1NC(=O)N1CC[C@H](c2ccccc2)C1 38567371 PQAAQCWWKJYKFA-AWEZNQCLSA-N 330.815 4.370 0 40 EIAB CCOc1ccc(Oc2ccc(NC(=O)CCCOC)cc2)cc1 40123142 SXKSQMHNZDSWLV-UHFFFAOYSA-N 329.396 4.243 0 40 EIAB O=C(Cc1noc2ccccc12)O[C@H](c1ccccc1)c1ccccn1 44613295 FTYAIFOCQQDGHH-OAQYLSRUSA-N 344.370 4.098 0 40 EIAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ccccc2n1 46507099 WZFKGOBDQRCFCD-SFHVURJKSA-N 348.402 4.045 0 40 EIAB CN(C)c1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)c1 48291062 OVIXNYDNFUOVJA-HXUWFJFHSA-N 332.403 4.094 0 40 EIAB COC1CCN(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 53897714 HQEMNNNNVRVBKN-UHFFFAOYSA-N 348.446 4.128 0 40 EIAB CCN(C(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)c1cccc(O)c1 58298816 NKHWAPAHTVRKTA-ZDUSSCGKSA-N 326.396 4.210 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C 58414435 HACZHFWEGWXYGL-GDBMZVCRSA-N 325.412 4.222 0 40 EIAB CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1cccnc1 65564203 UNYMUMCQIXTNQR-UHFFFAOYSA-N 331.419 4.090 0 40 EIAB Cc1nc(NC2CCCCC2)sc1C(=O)NCCc1cccs1 71326712 SOQUVQJTJANMLL-UHFFFAOYSA-N 349.525 4.230 0 40 EIAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc2[nH]ccc12 71803365 FWPZSCMQKSJYEO-UHFFFAOYSA-N 348.450 4.432 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 72215249 JNIDWZWTACDBFO-ZBFHGGJFSA-N 333.476 4.436 0 40 EIAB Cc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(Cl)c2c1 72329829 GGEUKYYCUZCQHN-UHFFFAOYSA-N 335.787 4.169 0 40 EIAB C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 84689699 NVSKYIIDYZNTTH-CXAGYDPISA-N 328.416 4.149 0 40 EIAB CC(C)c1cnc(CSCc2nc(Cc3ccc(F)cc3)no2)o1 85228740 RTBAMADSMUXMIB-UHFFFAOYSA-N 347.415 4.344 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2cccc(C(F)(F)F)c2)C1 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CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(COC)c1 224468892 MNVHBOJZLMMMKU-GOSISDBHSA-N 327.424 4.246 0 40 EIAB COc1cccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225085969 RECNRASABIIPSE-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB COc1ccccc1NC(=O)NCc1ccnc(-c2ccsc2)c1 225757492 KQYKOWZAYVBQJM-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1 226284863 BRWWIPTYJHLLLG-UHFFFAOYSA-N 334.769 4.246 0 40 EIAB Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C 204000 MWUOMPWHOUKYGY-UHFFFAOYSA-N 342.464 4.124 0 40 EIAB O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)[C@H]1N1CCCCC1 205932 RFJOHFMXEIPMJX-RTBURBONSA-N 340.854 4.279 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1Cl 560070 SFHABYBKNKOCLV-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB CCCCCOc1cccc(OCC(=O)Nc2cccc(OC)c2)c1 2082494 UMNLHYKFCQOZLX-UHFFFAOYSA-N 343.423 4.282 0 40 EIAB CCN(CCC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 2760721 SIMVOVBNYYICJD-UHFFFAOYSA-N 330.859 4.499 0 40 EIAB Cc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3nnnc3N2)cc1C 2919597 GWQMUBOAGAWECO-DLBZAZTESA-N 339.830 4.090 0 40 EIAB O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1(F)F 3175472 JURZRMDEBPKTAC-CYBMUJFWSA-N 327.252 4.429 0 40 EIAB O=C(Oc1ccc([C@@H]2N=C(O)c3ccccc3N2)cc1)c1ccccc1 4108241 DOHMPVBIDCOVAA-IBGZPJMESA-N 344.370 4.335 0 40 EIAB CSc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 4517638 RPVTXKJGSSSJEB-UHFFFAOYSA-N 339.420 4.328 0 40 EIAB O=C(NCCOc1ccccc1)c1cccc2c1oc1ccccc12 4783939 VVBJXJBOUXWSPL-UHFFFAOYSA-N 331.371 4.395 0 40 EIAB CC(=O)C(CCCCCCCCCCC(C(C)=O)C(C)=O)C(C)=O 5012288 KBPUDOCFVYPRDK-UHFFFAOYSA-N 338.488 4.476 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136244 CCTGGZHCGZMACF-UHFFFAOYSA-N 328.437 4.080 0 40 EIAB COc1ccc(/C(C)=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376253 SOLKIOGXNTVUIO-WJDWOHSUSA-N 341.388 4.032 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 6231848 UGBBRXKIBTXING-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB O=C(COc1ccccc1)N(Cc1ccc(F)cc1)Cc1ccco1 6747505 HCKAWZRRHFOTDN-UHFFFAOYSA-N 339.366 4.027 0 40 EIAB COc1ccc(-c2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cc1OC 7001498 HZMYFGMYYPWYMU-OKILXGFUSA-N 346.496 4.305 0 40 EIAB Cc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 7062526 KIEOMCAKWWMYKD-HXUWFJFHSA-N 339.435 4.283 0 40 EIAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)s1 7851695 PSGZJDNDVWUJKD-UHFFFAOYSA-N 339.873 4.180 0 40 EIAB Fc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 8992111 NQRGFOJNXYXNRQ-UHFFFAOYSA-N 347.378 4.207 0 40 EIAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3)cs2)cc1 9449494 MDNDODCTCJXAPT-UHFFFAOYSA-N 338.432 4.212 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2OC(F)F)o1 10115087 FCSVQMZXZJTPCU-VJFPMYOSSA-N 347.361 4.334 0 40 EIAB COc1cc2nc(Cl)nc(N[C@H]3CCCC[C@@H]3C)c2cc1OC 11756460 BUYSVTILNANQOD-JQWIXIFHSA-N 335.835 4.291 0 40 EIAB Clc1ccc([C@@H]2C[C@H](c3ccco3)n3ncnc3N2)cc1Cl 12469112 WWHJTHRTEUEZHH-QWHCGFSZSA-N 335.194 4.324 0 40 EIAB CCOc1cc2c(cc1CNC(=O)Nc1ccc(C)cc1)O[C@@H](C)C2 12782632 BWERRYSRTQFELI-AWEZNQCLSA-N 340.423 4.039 0 40 EIAB COc1ccc(-c2cc(NC(=O)c3cccc(C)n3)ccc2OC)cc1 13011991 VIRPCXSKUVGTBL-UHFFFAOYSA-N 348.402 4.327 0 40 EIAB Cc1cccc(CCCNC(=O)CSc2ccc(Cl)cc2)c1 13676563 KHAQBXWTFFSIFT-UHFFFAOYSA-N 333.884 4.490 0 40 EIAB CC(=O)c1csc(NC(=O)c2sc(-c3cccs3)nc2C)n1 14112589 BQMMTHKEPRSMCO-UHFFFAOYSA-N 349.462 4.091 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccc4c(C)cc(=O)oc4c3)coc2c1 14161277 ZDCXAEBGZLNEIH-UHFFFAOYSA-N 347.370 4.337 0 40 EIAB Cc1ccc(Nc2nn(CN3CCCC3)c(=S)s2)cc1Cl 14184726 MBIAWAYBTIQQHD-UHFFFAOYSA-N 340.905 4.433 0 40 EIAB CCOc1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 16094035 FXAGSBBHKIUWCA-UHFFFAOYSA-N 328.389 4.006 0 40 EIAB C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)[C@@H]1CCCO1 27877894 VPTJOAYURRILNO-RISCZKNCSA-N 335.856 4.366 0 40 EIAB C[C@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCO1 29789750 XDVUENIRPFWESX-ZDUSSCGKSA-N 349.352 4.233 0 40 EIAB O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2cccs2)CC1 31090827 ALOOPASQUSVIEO-UHFFFAOYSA-N 349.887 4.141 0 40 EIAB Cc1cc(Cl)c(Cl)cc1OCC(=O)Nc1ccc(Cl)cn1 32204117 UTCKVJCSQJUXOF-UHFFFAOYSA-N 345.613 4.368 0 40 EIAB Cc1cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)no1 32841305 AOJZLNNOKDNIEY-GFCCVEGCSA-N 342.424 4.004 0 40 EIAB Cc1ccc2c(c1)OC=CC(C(=O)NCc1ccccc1Cl)=C2 33321303 BHJMFHYNSWIYTB-UHFFFAOYSA-N 325.795 4.254 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)CSc2ccc(C)cc2)cc1 40009502 CAFZDIHSMNGKIU-LJQANCHMSA-N 341.476 4.459 0 40 EIAB CC(C)c1cc(Br)ccc1OCC[C@H]1CCCNC1 42770420 DUDNVADZCHQUPT-CYBMUJFWSA-N 326.278 4.341 0 40 EIAB CC(C)(C)c1cc(Br)ccc1OC[C@@H]1CCCNC1 42774664 JAXODGNNAZPDAG-GFCCVEGCSA-N 326.278 4.125 0 40 EIAB CCSc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 55704068 SDUOETHNVAZESL-UHFFFAOYSA-N 329.421 4.099 0 40 EIAB C[C@H](NCc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 66970944 WLUBVHRPLWFWSX-LBPRGKRZSA-N 331.366 4.026 0 40 EIAB COc1cc(C(=O)NCc2ccc(C(C)C)cc2)nc2ccccc12 72329559 GRJDYJQIIFGFLZ-UHFFFAOYSA-N 334.419 4.297 0 40 EIAB Cc1cc(C)n(-c2ccc(NC(=O)C=C(C3CC3)C3CC3)cc2F)n1 84105044 QUEAINXLTVTTQW-UHFFFAOYSA-N 339.414 4.313 0 40 EIAB COc1ccc([C@@H](CNc2cc(C)nc3ccccc23)N(C)C)cc1 89583108 BJULFJUPEACFTO-OAQYLSRUSA-N 335.451 4.267 0 40 EIAB Cc1cnc([C@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)s1 89702380 NWXBIOJRUKJXOA-QGZVFWFLSA-N 341.480 4.277 0 40 EIAB CC[C@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C 95095408 IRVKKEOAJDSQOD-GOEBONIOSA-N 329.444 4.345 0 40 EIAB C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)Nc1cccnc1 95403838 FTUAWCHYAGFVPG-HNNXBMFYSA-N 332.407 4.369 0 40 EIAB CCc1ccsc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 96409372 TUZMBXOIODMRSF-UHFFFAOYSA-N 345.308 4.267 0 40 EIAB C/C(=C\C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12)c1ccccc1 98055188 BFNDHCGMLHQIAG-OKFGHLOFSA-N 333.387 4.386 0 40 EIAB O=C(Nc1scnc1-c1ccccc1)c1cc(F)cc2[nH]cnc12 102758987 ZSVRSJIWDAAMKH-UHFFFAOYSA-N 338.367 4.078 0 40 EIAB C[C@H]1C[C@@H](C)N(C(=O)C[C@H](C)CCc2ccccc2)c2ccnn21 108456749 LDCOVOLPMKTGPD-ZACQAIPSSA-N 325.456 4.228 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 195530073 INWYLJANKLYLOW-DZOHQFGASA-N 349.434 4.002 0 40 EIAB O=C(CSCc1ccccc1)N1CCS[C@H](c2ccco2)CC1 207007828 XJEMLGLREFALJZ-KRWDZBQOSA-N 347.505 4.220 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCC1(c2ccsc2)CCCC1 217481339 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Cc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)n1 409310003 PAMPPJRERGNNOM-ZROIWOOFSA-N 330.796 4.284 0 40 EIAB CCCN(C(=O)c1cc(C(C)C)[nH]n1)[C@@H](C)c1ccccc1OC 521146191 NNLLLQCHOZJYBV-AWEZNQCLSA-N 329.444 4.155 0 40 EIAB O=C(c1[nH]c2ccccc2c1Cl)N1CC(Cc2ccsc2)C1 1557647597 HYFIVNBKPCJSIV-UHFFFAOYSA-N 330.840 4.198 0 40 EIAB CC(C)(C)NC(=O)[C@@H]1CCN(C(c2ccccc2)c2ccccc2)C1 1889224964 XJKQFZVODUJURW-LJQANCHMSA-N 336.479 4.013 0 40 EIAB Cc1ccc(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)c(C)c1 910449 CYJRCVNDLQALAD-UHFFFAOYSA-N 344.414 4.323 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 2621167 GDWSYJVDUQWORB-UHFFFAOYSA-N 325.286 4.155 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 2649870 ASEQUVVHAWLRAW-CYBMUJFWSA-N 328.437 4.073 0 40 EIAB O=C1c2ccccc2-c2nn(C(=O)c3ccccc3F)c3cccc1c23 2685250 KEEBFRVGRORNIZ-UHFFFAOYSA-N 342.329 4.075 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1 2762840 BFXHTEMNVUCENO-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB Cc1nnc(SCCC(=O)Nc2ccc(C(C)(C)C)cc2)s1 2889155 SJZDQCVZDQGEAY-UHFFFAOYSA-N 335.498 4.265 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 3300009 LYZWHFWWRYJTQG-LBPRGKRZSA-N 347.361 4.274 0 40 EIAB Cc1cccc(C(=O)N2CCN=C2SCc2ccccc2Cl)c1 4120254 UWBDNZQQBFXAET-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB Cc1ccc2nc(NC(=O)CSc3ccc(F)cc3)sc2c1 4496701 JZFRQQZLSNHINH-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB Cc1ccc(-c2onc3ccc(I)cc23)cc1 4539326 XGJOFOCVIUDUCN-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 4892710 REOUYHNSMGNAMB-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB Cc1ccc2c(c1)C(=O)O[C@@](C)(c1cc(=O)c3cc(C)ccc3o1)C2 5033497 XVFCEPQFGPPNQO-OAQYLSRUSA-N 334.371 4.038 0 40 EIAB CCn1c(SCC(=O)c2ccc(OC)c(F)c2)nc2ccccc21 5263246 DCPCNQKODAZONG-UHFFFAOYSA-N 344.411 4.179 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccc3nc(C)sc3c2)c1 5578348 NQNQLINGCRYUSZ-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1 5699171 NJUTXTKDZDYYJS-UHFFFAOYSA-N 328.721 4.409 0 40 EIAB CCOc1ccc(-n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 6473259 FAOXVHFRMDHEQA-UHFFFAOYSA-N 327.409 4.004 0 40 EIAB COc1cc(CNC2CCCC2)ccc1OCCc1ccccc1 7540058 UMRBEBBMODIHCN-UHFFFAOYSA-N 325.452 4.349 0 40 EIAB CN(CC(=O)Nc1cccc(F)c1)C(c1ccccc1)c1ccccc1 7624340 SWQKOAMWFLMKKS-UHFFFAOYSA-N 348.421 4.486 0 40 EIAB Cc1nc2ccccc2n1CC(=O)O[C@H](C)c1ccccc1Cl 7734832 XHEQYZKLMGSYGO-GFCCVEGCSA-N 328.799 4.303 0 40 EIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(F)c1 7940422 XMSYWNQOYJLQGL-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB O=C(CNc1ccc2ccccc2c1)Nc1ccc2c(c1)OCCCO2 9218147 WMRNSHWREJTJKX-UHFFFAOYSA-N 348.402 4.052 0 40 EIAB COc1ccccc1/C=C/CN1[C@H]2CC[C@@H]1c1cnc(C3CC3)nc1C2 12330092 VGCVQVFKXOAJHX-CXKYAALTSA-N 347.462 4.138 0 40 EIAB Cc1cccc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1C 12592999 VXCFBVNQHBMVQD-UHFFFAOYSA-N 347.462 4.281 0 40 EIAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2c(C)noc2n1 14179854 KGNZMYOJZKZTID-UHFFFAOYSA-N 336.178 4.399 0 40 EIAB Cc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 17172972 CUDFDLQHCAIDMK-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(F)c1 17291366 ZPXLTQVABXTVCV-LBPRGKRZSA-N 343.427 4.067 0 40 EIAB COc1ccc(C[C@H](NCc2cccnc2)c2ccc(OC)cc2)cc1 17317781 SYRJGWYEQVCMRN-QFIPXVFZSA-N 348.446 4.172 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 20104843 PSDGQJSENYSDHK-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB Cc1ccccc1CNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20107464 BFVDTZDHWZFNBM-QGZVFWFLSA-N 336.479 4.157 0 40 EIAB CCc1sc2nc(C)[nH]c(=O)c2c1-c1ccc(Br)cc1 20345624 ITDUNCDDLZJXEA-UHFFFAOYSA-N 349.253 4.285 0 40 EIAB CCOc1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1 22521717 JXSJSKZWUUJONI-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(F)c1 24353691 NVLVWJAEQDDQFZ-LLVKDONJSA-N 341.411 4.144 0 40 EIAB CC[C@@H](C(=O)NCc1cccc(NC(=O)C(C)C)c1)c1ccccc1 26385071 BFHNLOCOMOQUMV-LJQANCHMSA-N 338.451 4.091 0 40 EIAB CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 26771185 IMVPCSJJPAQKDS-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(F)cc3F)sc2c1 27975605 IMMCJEQLJQOBEW-JTQLQIEISA-N 348.374 4.289 0 40 EIAB COc1ccc(NC(=O)N2CCS[C@H]2c2ccc(C)cc2)cc1 28232246 HFBJGIKFSKGAEE-KRWDZBQOSA-N 328.437 4.283 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)N2CCCC2)c2ccccc12 28251838 ZIJNLMYFWBCAOI-UHFFFAOYSA-N 347.480 4.193 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2ccccc21 28643079 YNDWYUORORUDOR-FZKQIMNGSA-N 329.827 4.301 0 40 EIAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1 30116437 YOJGMPOQRVDTGB-LBPRGKRZSA-N 336.357 4.262 0 40 EIAB CC(=O)c1ccc(-n2cc[n+](Cc3c(Cl)cccc3Cl)c2)cc1 30516172 KFRNBQDGWBHMSW-UHFFFAOYSA-N 346.237 4.323 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCCC1)[C@H]1Cc2ccccc2O1 32397098 PRIQLJHURKCEMY-SJLPKXTDSA-N 327.449 4.099 0 40 EIAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 32656458 OTROWJPKZNZGGX-RDTXWAMCSA-N 328.456 4.124 0 40 EIAB COc1ccc(CCC(=O)NC2CCC(c3ccccc3)CC2)cc1 32797002 WCQXQQJPGCKEQR-UHFFFAOYSA-N 337.463 4.470 0 40 EIAB Fc1ccc2[nH]c([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 35446591 YKWBVMSKVHRDJR-ZDUSSCGKSA-N 329.806 4.345 0 40 EIAB biogenic,in-vitro CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccccc1Cl 40158496 FWCPBLGWBXHDAP-KRWDZBQOSA-N 342.826 4.436 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Br)o1 40159552 KTSMESZQSGXKMG-UHFFFAOYSA-N 346.583 4.107 0 40 EIAB O=C(Nc1ccncc1)N1CCc2sccc2[C@@H]1c1ccccc1 56500548 ITDXPSFPBGCWKX-SFHVURJKSA-N 335.432 4.323 0 40 EIAB O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc[nH]c1=S 58153365 JHDYYDKBZYDPEI-UHFFFAOYSA-N 336.376 4.133 0 40 EIAB Cc1ccccc1N(C(=O)[C@H]1CCOC1)c1nc2ccccc2s1 69315568 MCIBSOKJWLWPDO-AWEZNQCLSA-N 338.432 4.306 0 40 EIAB CC(C)Cc1noc(CNc2ccccc2N2CCCCCC2)n1 71982124 GGZUJXPHXHUYJR-UHFFFAOYSA-N 328.460 4.261 0 40 EIAB O=C(NCc1ccccc1Cl)c1cn[nH]c1-c1cccc(Cl)c1 72328854 WPVMUZUOLOYYGP-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1nccs1 78064874 NFLLURUKTJLICR-JTQLQIEISA-N 328.359 4.004 0 40 EIAB CC(C)C[C@@H](O)c1scc(Br)c1Br 85390766 XDFWXMKLZHNXQZ-SSDOTTSWSA-N 328.069 4.353 0 40 EIAB C[C@@H](NCCSc1ccccc1F)c1ccc([S@@](C)=O)cc1 95422371 FPUVJCGXPANCRG-DMZKTXOQSA-N 337.485 4.006 0 40 EIAB CC(C)C[C@H](C)N(C)S(=O)(=O)c1cc(Cl)sc1Cl 95948937 NAAKCOIYPNQKCW-QMMMGPOBSA-N 330.302 4.110 0 40 EIAB COc1ccccc1NS(=O)(=O)/C=C/c1c(C)cc(C)cc1C 96137062 ZWMLDOBSZDWNRI-MDZDMXLPSA-N 331.437 4.033 0 40 EIAB Fc1ccc(CN2CCC3(CC2)C[C@@H](Oc2ccccc2)CO3)cc1 96221815 NGPURGYCPNXKFF-HXUWFJFHSA-N 341.426 4.028 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 102478114 CWIREUOYRDTFPL-UYAYXHRUSA-N 348.512 4.067 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C)c1 223433579 AKEONCGVVAXUPM-UHFFFAOYSA-N 327.858 4.171 0 40 EIAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC3CCCCC3)cn2)C1 224038649 AZDGAYOUYNSMQD-GASCZTMLSA-N 346.544 4.183 0 40 EIAB CCOc1ccc(C(=O)NC)cc1COc1ccccc1C(C)(C)C 224506548 AXCXPBSZWMWEIQ-UHFFFAOYSA-N 341.451 4.321 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924095 KYEYDQXHAHFADU-FQEVSTJZSA-N 338.451 4.391 0 40 EIAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1 225093535 HYGJBHARMHZTGI-CQSZACIVSA-N 344.716 4.434 0 40 EIAB S=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225324412 ALDWHKDOQNOJGR-PMUMKWKESA-N 330.497 4.483 0 40 EIAB COc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 225769526 YZRWZVFOKAHCJN-MRXNPFEDSA-N 340.423 4.428 0 40 EIAB Cc1cccc(O[C@@H]2CCC[C@H](N(C)Cc3ccccc3C)[C@H]2O)c1 585290031 ZGBULYNNIWFLFR-BHDDXSALSA-N 339.479 4.096 0 40 EIAB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccs1 428075 IQMKXEUWBPTINE-BLLLJJGKSA-N 332.446 4.129 0 40 EIAB O=C(Nc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)cc1 527594 OGGAXNWJVYIFGT-UHFFFAOYSA-N 343.839 4.476 0 40 EIAB COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1OC 817741 RAMWIXXACUXTCL-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB S=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1369673 YUJLCEAQWFDVFW-IAGOWNOFSA-N 349.931 4.174 0 40 EIAB C[C@@H]1CN(c2nc3ccccc3o2)[C@H](C)CN1c1nc2ccccc2o1 1704900 CFNCXWBUQCBYME-ZIAGYGMSSA-N 348.406 4.073 0 40 EIAB C[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccccc1 1924299 AQIKGBCXTHAVOJ-ZDUSSCGKSA-N 348.431 4.002 0 40 EIAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(C)C3=O 2380369 LTJZLLJGCORYNJ-IBGZPJMESA-N 347.414 4.400 0 40 EIAB CCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 2601792 VXTQDVWNQYUZHJ-UHFFFAOYSA-N 329.488 4.321 0 40 EIAB CCCNC(=O)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764151 IGCHEKBYQJDGIF-MAUKXSAKSA-N 327.472 4.315 0 40 EIAB C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(Cl)c23)C1 3887552 IMEWTDBWEQQPEJ-LLVKDONJSA-N 335.904 4.455 0 40 EIAB Fc1ccc(C2=Nc3ccc(F)cc3C(c3ccccc3)=NN2)cc1 4129730 CRTIMRYWEANVEZ-UHFFFAOYSA-N 333.341 4.399 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 4249078 VQRMOKUJUVRQNX-UHFFFAOYSA-N 349.415 4.080 0 40 EIAB CCCC[C@@H](CC)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 4553306 DZOBKGDYCGSMHA-CQSZACIVSA-N 347.484 4.292 0 40 EIAB CCOC(=O)CC(=O)CSc1nc2c(C)c(C)ccc2cc1CC 4849409 GZEKEBARSMNKCW-UHFFFAOYSA-N 345.464 4.028 0 40 EIAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1cccs1 5137101 JHQMEJPDOWDHJK-UHFFFAOYSA-N 346.452 4.292 0 40 EIAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccccc1Cl 5307709 ONBVSOQPQHGIHR-UHFFFAOYSA-N 349.839 4.076 0 40 EIAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccc2c(c1)CCC2 5398841 AEHZZXXLLZPLRB-AWEZNQCLSA-N 347.414 4.014 0 40 EIAB Cc1ccc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2c1 5443085 CQMJJMQLKIWDCS-UHFFFAOYSA-N 334.347 4.458 0 40 EIAB Cc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)no1 5702342 GYBPZIORESJDFE-UHFFFAOYSA-N 338.392 4.116 0 40 EIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCC1CCCCC1 6084156 XWVRAWFVSMEKFD-UHFFFAOYSA-N 341.451 4.387 0 40 EIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3sccc3C)S2)cc1 6394935 FCGJWEBMPWTEJA-MJSCBBHESA-N 330.478 4.219 0 40 EIAB CCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 6784302 YSYMFSGKFKRXDD-UHFFFAOYSA-N 330.840 4.460 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)oc2ccccc12 7738609 HNVUKFUXSGODTI-HNNXBMFYSA-N 345.402 4.418 0 40 EIAB CCn1/c(=N\C(=O)c2ccccc2Cl)sc2cc(F)ccc21 8654202 VNOCVFTXHZBTCK-KNTRCKAVSA-N 334.803 4.256 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(F)c1 8747691 JLNZRMUWSKBDAJ-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc(C)c1C 8987780 CCJBYPRHWACBDY-ZDUSSCGKSA-N 325.437 4.247 0 40 EIAB COC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 10381630 DFEPWJMKEVJIMX-UHFFFAOYSA-N 337.423 4.064 0 40 EIAB C[C@@H](Sc1ncccn1)C(=O)n1c2ccccc2c2ccccc21 10381939 LGDQSLJZQMMKDN-CYBMUJFWSA-N 333.416 4.406 0 40 EIAB COc1cc2nc(Cl)nc(N[C@@H]3CCCC[C@H]3C)c2cc1OC 11756461 BUYSVTILNANQOD-ZYHUDNBSSA-N 335.835 4.291 0 40 EIAB CCOc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1 12415135 YFZQMXPENRZAFC-UHFFFAOYSA-N 338.392 4.254 0 40 EIAB CCc1cccc(CC)c1NCc1cc2cc(OC)ccc2[nH]c1=O 12493244 IEHNGMVVGTUPBN-UHFFFAOYSA-N 336.435 4.274 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCCN2CCc3ccccc32)cc1 13673671 WJYWCZQWNIEDSV-UHFFFAOYSA-N 336.479 4.167 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cn1 14227463 DTDZVLQPBJOTFB-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB CC(C)c1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 14910530 LPWBKDDZEZMKRN-UHFFFAOYSA-N 338.451 4.428 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 15796853 IHIYZBGARMACSM-FZMZJTMJSA-N 325.836 4.056 0 40 EIAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20141669 IFHYYFZCKJLUGB-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(C2CC2)cs1 25559670 ZDJGUOITGWRSQT-UHFFFAOYSA-N 325.393 4.236 0 40 EIAB O=C(CCn1ccc2ccccc21)Nc1cc2c(cc1Cl)OCO2 27220007 XGVJWEZSVWQRCB-UHFFFAOYSA-N 342.782 4.052 0 40 EIAB Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1 27757716 JVRNSEACVQYEOT-UHFFFAOYSA-N 325.843 4.334 0 40 EIAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCc2ccccc21 32764928 QVIIFNOYXMDQEN-YADHBBJMSA-N 348.490 4.060 0 40 EIAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2csc3c2CCCC3)cc1 32945117 GPSXVXANDPAXFP-GFCCVEGCSA-N 344.432 4.064 0 40 EIAB O=C(NCCCOC1CCCCC1)c1ccccc1C(F)(F)F 40017255 RVLSLZZCVWRDNF-UHFFFAOYSA-N 329.362 4.175 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)c1C 40154231 INIZFICLLUGPQC-CZUORRHYSA-N 344.480 4.304 0 40 EIAB O=C(NCc1ncc(-c2ccccc2)o1)NC1CCCCCCC1 47619065 ALTKGUQSXDNUMH-UHFFFAOYSA-N 327.428 4.254 0 40 EIAB c1ccc2c(c1)CCC[C@@H]2Sc1nnc(NC[C@H]2CCCO2)s1 48273417 MIBSRCZVMLXRHG-HIFRSBDPSA-N 347.509 4.299 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cscn3)ccc2c1 48340947 MSSFAMLYOFJECE-ZDUSSCGKSA-N 340.448 4.067 0 40 EIAB O=C(NCc1ccc(Br)cc1)c1cc(Cl)ccc1F 48482488 VQPDSFPXGIURGZ-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc(OC2CCCC2)cc1 49544366 RRTRMCPFIOLDLE-QGZVFWFLSA-N 343.452 4.166 0 40 EIAB Cc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3C)c2)cn1 49581201 LPVRTPLKNUKJRR-UHFFFAOYSA-N 342.446 4.460 0 40 EIAB Cc1ncc(CN(C)c2nc(-c3ccncc3)nc3ccccc23)s1 52447402 IRXGYLPBAINBSW-UHFFFAOYSA-N 347.447 4.093 0 40 EIAB CCC(CC)(CC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)O 55150059 GARBMXAQWZAYCU-CYBMUJFWSA-N 331.412 4.200 0 40 EIAB CCc1ccccc1NC(=O)CCc1csc2nc(C3CC3)cn12 56903735 MUKLGRLQTBZKQY-UHFFFAOYSA-N 339.464 4.407 0 40 EIAB Cc1sc2nc(CN3CCC[C@H]3c3cccs3)nc(N)c2c1C 57270833 DYYPZLULDLJBDB-LBPRGKRZSA-N 344.509 4.289 0 40 EIAB O=C(C=C1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1 58381104 WGDZNEUGWRTLGZ-UHFFFAOYSA-N 334.847 4.006 0 40 EIAB COc1cccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)c1 62059981 RJOLBXDJLGQGND-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1sccc1C1CC1 69456564 UDGRGLSUCZDSHB-UHFFFAOYSA-N 327.434 4.396 0 40 EIAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(Nc2ccccc2)CC1 69895471 MOPBJIITZQASBA-MRXNPFEDSA-N 348.450 4.374 0 40 EIAB CC(C)n1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O 70666451 ARVKHMYKAREDEB-UHFFFAOYSA-N 345.402 4.316 0 40 EIAB biogenic CCOc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229473 JNQINLZALVEAAS-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2Cc2ccccc2)n1 72354558 FKLGIOCHOJRNQN-LJQANCHMSA-N 348.425 4.202 0 40 EIAB CC(C)N(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccnc1 84086756 TURKDEYMSCIONY-UHFFFAOYSA-N 325.799 4.338 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89529260 OACCLSHGWKLGFO-RTBURBONSA-N 334.419 4.207 0 40 EIAB CCOc1ccc(NC(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)cc1 95465792 LXPCMRPRQDMANA-FUHWJXTLSA-N 334.460 4.191 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2cc(-c3cccnc3)no2)c1 96184007 NPIKHRCDDGKJQY-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB O=C(CC/C=C/c1ccccc1)N1CCC(OC2CCCC2)CC1 96413804 WWDBWYYUPJLUTC-ONNFQVAWSA-N 327.468 4.430 0 40 EIAB CCc1ccc([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)o1 96476872 NIYFJZWBRSHKDC-OAHLLOKOSA-N 349.434 4.340 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)c(C)cc2C)c1 96732442 IBWNVLHPFIKTIY-UHFFFAOYSA-N 331.799 4.304 0 40 EIAB Cc1nn(C)c(C)c1C[C@@H](C)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 97143467 ZBIZWGDBOBWZJX-CABCVRRESA-N 343.515 4.496 0 40 EIAB Cc1nc(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)no1 181598253 QYILMSLXJXAJFW-KRWDZBQOSA-N 327.815 4.105 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCS[C@H](c2ccco2)CC1 207005196 AFEPDASAOVSQGP-HNNXBMFYSA-N 344.461 4.210 0 40 EIAB Cc1ccc(N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 219857067 FYDRPPRFKCQSNS-UHFFFAOYSA-N 330.378 4.128 0 40 EIAB Cc1ccc(CNC(=S)Nc2nc(C)c(Cl)cc2Cl)o1 223904230 YFSWKTWSLAIEAX-UHFFFAOYSA-N 330.240 4.085 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc(C)c1 224444137 SURRKQSXEXIIHI-GOSISDBHSA-N 347.842 4.001 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2ccccc2F)CC1 224550721 ORAWZMSFAKSMBL-UHFFFAOYSA-N 348.506 4.369 0 40 EIAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(F)c(F)c1 225650182 ZOKUVJYKLAUHSO-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB CCCCCNC(=O)CCc1nc(-c2cccc3ccccc23)no1 225829827 XYWITGDSYWSQFQ-UHFFFAOYSA-N 337.423 4.129 0 40 EIAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4nccs4)C3)ccc2o1 257245370 IPDSKJNJVUQFGV-CQSZACIVSA-N 326.421 4.218 0 40 EIAB COc1ccc(C(=O)NCCc2ccc(-c3ccoc3)s2)cc1F 390830707 MTIQUKLGHPAQES-UHFFFAOYSA-N 345.395 4.128 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(C)cc1C)c1ccccc1 408981266 VOCNKMMDTXGAKF-SFHVURJKSA-N 340.423 4.119 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1C 409182812 OEKJZSASQMDKSK-CQSZACIVSA-N 343.448 4.209 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCc3cc(F)ccc32)c1 1673667034 HJQNUOHSIWKEJV-UHFFFAOYSA-N 347.777 4.032 0 40 EIAB C[C@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccccc4)cc23)C1 102751 FSZIIYFIPAZSOW-ZDUSSCGKSA-N 341.432 4.358 0 40 EIAB FC(F)(F)c1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 385268 LVKYUSFWKVHKHJ-UHFFFAOYSA-N 336.298 4.132 0 40 EIAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccnc3Cl)c2C1 426620 GVTWEMHABDZZQX-JTQLQIEISA-N 333.819 4.126 0 40 EIAB CC[C@@H](C)OC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 542164 MXHWYMCDLGFBJF-VXGBXAGGSA-N 340.427 4.093 0 40 EIAB Cc1cc2sc(NC(=S)NC(=O)CC(C)C)nc2cc1Cl 569409 RDOJQCMUTPCBLR-UHFFFAOYSA-N 341.889 4.117 0 40 EIAB Cc1cccc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@H](C)C4)n3n2)c1 1340756 OHVOXORFXIGMNU-HOTGVXAUSA-N 334.467 4.495 0 40 EIAB COc1ccc(OC)c2nc3c(cc12)CCc1c-3[nH]c2ccccc12 1385130 DQRMZEOCELYMHX-UHFFFAOYSA-N 330.387 4.499 0 40 EIAB O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2c(ccc3ccccc23)O1 1394654 MWACKHFHQWTGPZ-LJQANCHMSA-N 337.806 4.113 0 40 EIAB Cc1nc(N2CCCC2)c2sc(=S)n(Cc3ccccc3)c2n1 1428956 OCJNHUQLDHDBQX-UHFFFAOYSA-N 342.493 4.179 0 40 EIAB Cc1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1C 2216656 GHIPYGRRICQDPM-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C(=O)Nc1cccc(Cl)c1C 3151075 NSOLCWDIGJEIKF-UHFFFAOYSA-N 337.206 4.187 0 40 EIAB Cc1ccc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])c2ccccc12 3204968 FRDITHFLHLAUFD-VHEBQXMUSA-N 331.327 4.421 0 40 EIAB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccco3)nc12 4273217 ZOPWCARGUOSWHW-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB Cc1cccc(N2C(=O)S[C@@H](Nc3cc(C)ccc3C)C2=O)c1 4794151 KUNMALNNBVULNY-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C 5026670 YOUDQVCTXMDJIH-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB CCc1nc(Nc2cccc(C(=O)O)c2)c2oc3ccccc3c2n1 5246127 INFNDJLKCPPBDW-UHFFFAOYSA-N 333.347 4.380 0 40 EIAB Cc1ccc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 5409752 DRHAYFFSCCYPLQ-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB COc1ccc(C)cc1NC(=O)COc1cccc(C(F)(F)F)c1 5701613 PSQHDCLJQPFSIQ-UHFFFAOYSA-N 339.313 4.040 0 40 EIAB COc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c1 6043628 YYCQRILQHVEXLW-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3sccc3C)S2)cc1 6394815 FCGJWEBMPWTEJA-XBNGYDHASA-N 330.478 4.219 0 40 EIAB COC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6472620 WGYHVQYXJNPQAA-HGDYXINXSA-N 332.484 4.099 0 40 EIAB biogenic Cc1nc2ccc(N[C@@H](C)C(=O)N(C)Cc3ccccc3)cc2s1 7242052 GKAVQFHYGLKTHR-ZDUSSCGKSA-N 339.464 4.064 0 40 EIAB Cc1nc2ccc(NC(=O)CCC(=O)c3cccs3)cc2s1 8351765 ZZMFSUGZGXFKOQ-UHFFFAOYSA-N 330.434 4.268 0 40 EIAB O=C1N[C@H](c2csc(-c3ccc(Cl)cc3)n2)Nc2ccccc21 8708122 OIZQBJASYSDNCW-OAHLLOKOSA-N 341.823 4.318 0 40 EIAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 9063558 NZUWGPAKXLSOES-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1ccccc1F)c1ccccc1Cl 11917255 JMXYKWIAVXMPQD-SFHVURJKSA-N 348.849 4.292 0 40 EIAB Cc1ccc2[nH]c(=O)c(CNc3cccc(C(F)(F)F)c3)cc2c1 12492472 NCIUWCRAISBQFX-UHFFFAOYSA-N 332.325 4.467 0 40 EIAB COC(=O)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)o1 12546571 UNWWWIGSZYQZPD-UHFFFAOYSA-N 346.386 4.055 0 40 EIAB COc1ccccc1CN(C)C(=O)Cc1c(C)nc2ccccc2c1C 12550791 HMPPIZWWHIFIQU-UHFFFAOYSA-N 348.446 4.061 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Cl 12945897 ISMYBASUSAXLMA-GFCCVEGCSA-N 349.839 4.468 0 40 EIAB COc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 13937629 FVIDZNHSJDYBBX-UHFFFAOYSA-N 342.342 4.403 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Sc2ccc(N)cc2)cc1Cl 17070805 FSQDRWFOJNBSTP-SNVBAGLBSA-N 336.844 4.050 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1n[nH]c2ccccc12 17917462 VPHDCAWNHRESKT-UHFFFAOYSA-N 334.206 4.142 0 40 EIAB C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(-n2ccnc2)cc1 18048019 RUWNAFXJLBDIMQ-AWEZNQCLSA-N 331.375 4.110 0 40 EIAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1Cc2cc(Cl)ccc2O1 21902292 LAOFNADDKNAGND-CQSZACIVSA-N 348.855 4.008 0 40 EIAB O=C(CCc1ccccc1Cl)NCc1ccccc1OC(F)F 22374495 UYQOCKCIMOGXQT-UHFFFAOYSA-N 339.769 4.190 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)c(Cl)c1 25368321 IFVGAZUAMRPDOQ-ZDUSSCGKSA-N 341.885 4.236 0 40 EIAB Cc1nn(Cc2ccc(C(=O)N3CCCCCC3)cc2)c(C)c1Cl 28236291 BYLKAONOHACDCB-UHFFFAOYSA-N 345.874 4.218 0 40 EIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 41095102 NDCSYHDBIGWCFN-AWEZNQCLSA-N 347.480 4.032 0 40 EIAB CCNC(=O)c1cccc(C)c1OCc1coc(-c2cccs2)n1 48308527 ALUOJKKTXDDFND-UHFFFAOYSA-N 342.420 4.040 0 40 EIAB CC(C)OCc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 48373983 DFOWEFIXGUGARX-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB Cc1cccc(-c2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)n1 54751876 VFTYGANMDCOVFD-UHFFFAOYSA-N 339.445 4.392 0 40 EIAB Cc1nnc([C@@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)o1 58180409 ZJJFITDBRDHMBX-GFCCVEGCSA-N 340.452 4.296 0 40 EIAB Cc1ccc(CC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 65553866 FSQHMFKKQHSEMO-UHFFFAOYSA-N 335.403 4.065 0 40 EIAB O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 69385286 OZXYACYRGHBROK-MSOLQXFVSA-N 326.827 4.030 0 40 EIAB CC(C)NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 71279686 PZPYCZRHZXWMDB-ZDUSSCGKSA-N 330.255 4.030 0 40 EIAB CCSc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72217221 FQKAHCADKHNZND-UHFFFAOYSA-N 338.473 4.071 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)c2)cs1 72297634 LSXSSVCSNNMGSR-UMVBOHGHSA-N 329.469 4.145 0 40 EIAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccncc1Cl 73846654 BMYBQVVANOZGMJ-INIZCTEOSA-N 346.814 4.455 0 40 EIAB CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1C 79183166 MHTGZLONLKAUDQ-HOTGVXAUSA-N 340.398 4.143 0 40 EIAB CC(=O)Nc1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(F)cc1F 84671084 GQNVUUGNERCHBU-ZBEGNZNMSA-N 336.382 4.100 0 40 EIAB Oc1cccc([C@H]2CN(Cc3cccc(-c4cccnc4)c3)CCO2)c1 93457742 AQBVTORDPCORQC-JOCHJYFZSA-N 346.430 4.028 0 40 EIAB Cc1cc(C)n2cc(CNc3ccccc3CC(F)(F)F)nc2n1 95410316 PMHQFVRAJDKAHQ-UHFFFAOYSA-N 334.345 4.063 0 40 EIAB O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)C1CCOCC1 96025022 SBUFUNMSUWETBB-UHFFFAOYSA-N 334.803 4.146 0 40 EIAB CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1cccc(F)c1 96388349 QERLXDBKJFPAFA-MZEUMTGBSA-N 345.439 4.065 0 40 EIAB CC[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1cccs1 96474155 MPPUJKYAEABUDZ-OLZOCXBDSA-N 336.482 4.044 0 40 EIAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 219500239 XTWSBTWIQNIGPO-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB COc1ccc(C(=O)NCCSC2CCCCC2)cc1Cl 223235424 RWZUCJFEDVRGAG-UHFFFAOYSA-N 327.877 4.144 0 40 EIAB COc1cccc(NC(=O)NCCOc2cccc3ccccc23)c1 223579864 AXXHDRCGMDBMRT-UHFFFAOYSA-N 336.391 4.049 0 40 EIAB COc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1Cl 224213613 HRAONZPIYIQZPW-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 224753847 QASXXSJQZGZMSS-HNNXBMFYSA-N 329.415 4.341 0 40 EIAB CCc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225066178 OHFNSGMHZMFRQL-UHFFFAOYSA-N 347.480 4.490 0 40 EIAB CCOC(=O)c1cc(NC(=S)NC2CCCCC2)ccc1Cl 225279105 AZAILNMSZOUCLI-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB COc1ccc(-c2nnsc2C(=O)Nc2cc(C)cc(C)c2)cc1 225761869 UHYBLCURAKSFKT-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB Cc1cccc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)c1 225814781 AQTCMKKSGMCZDK-UHFFFAOYSA-N 341.455 4.207 0 40 EIAB S=C(Nc1ccc(Cl)cc1)NC1(c2cccnc2)CCCC1 225845145 QZXCBCVJXCUQSM-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](CC(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 245238985 DGNCIMCPMIGWCU-QYQWGMGISA-N 334.500 4.481 0 40 EIAB CNc1sc(Br)cc1C(=O)c1ccccc1Cl 299803619 HRWLJAVOHILXBU-UHFFFAOYSA-N 330.634 4.437 0 40 EIAB COc1cccc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c1 575619170 IHSXSMCFWFFIFW-UHFFFAOYSA-N 347.418 4.147 0 40 EIAB Cc1ccccc1C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646676358 JJKHQNZYLPANGW-UHFFFAOYSA-N 333.353 4.329 0 40 EIAB CC[C@@H](NC[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1F 1659204748 DGDKGYQUWDNDNN-IAGOWNOFSA-N 325.786 4.393 0 40 EIAB CC(C)(C)[C@H]1COC([C@@H]2CCCC[C@H]2C2=N[C@@H](C(C)(C)C)CO2)=N1 1988187967 DLTBHDXQHRRSOR-KLHDSHLOSA-N 334.504 4.480 0 40 EIAB C[C@@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C[C@H]1C 106074 YXCWRLCZWVCEDO-KGLIPLIRSA-N 332.403 4.256 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 150379 OTJHDYAOAZRQNN-GFCCVEGCSA-N 348.240 4.418 0 40 EIAB CC(C)(C)CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 324698 IAZNNJBFEVRHQA-HNNXBMFYSA-N 327.428 4.226 0 40 EIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O 414272 SUDXCHSJWGTUSO-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB CCOC(=O)c1c(C)oc2c(-c3ccc(OC)cc3)cc(O)cc12 487583 JWPJTOFSVUYESK-UHFFFAOYSA-N 326.348 4.299 0 40 EIAB biogenic O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 554350 ORESNOZWCQLJMM-UHFFFAOYSA-N 348.377 4.259 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)C1CCCCC1 1358115 RAZSQGQLNFTGLU-UHFFFAOYSA-N 329.444 4.119 0 40 EIAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1N(C)C 1391925 DFGYCUHFRXSWLF-UHFFFAOYSA-N 344.267 4.150 0 40 EIAB CCC1=C(c2ccc(OC(C)=O)cc2)Cc2cc(OC(C)=O)ccc21 1595260 WNDUXEKTKKSMOQ-UHFFFAOYSA-N 336.387 4.414 0 40 EIAB CC[C@]1(C)C[C@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 2109997 BEJITXVNDNZAGW-NHCUHLMSSA-N 343.467 4.294 0 40 EIAB biogenic Cc1cc(NC(=S)NCCc2ccccc2)ccc1Br 3227936 MBRPQFDJVQIZLS-UHFFFAOYSA-N 349.297 4.287 0 40 EIAB COc1cccc(NC(=O)[C@@H](NCCC(C)C)c2ccccc2)c1 3375245 TUGIETVITRMFQM-IBGZPJMESA-N 326.440 4.011 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(Cl)c1 3398484 DYKFQTRUDLRTTP-UHFFFAOYSA-N 327.186 4.492 0 40 EIAB Cc1c(C(=O)C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c2ccccc2n1C 4062506 RVCJYDXUZIEUKO-DZGCQCFKSA-N 340.467 4.000 0 40 EIAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(Cl)cc2)cc1 4120377 HJJALBRDLHQKIV-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB c1cncc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4124000 AGMJZQSFAMHYAU-LPHOPBHVSA-N 333.416 4.385 0 40 EIAB CCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 4922866 HYDFYIQDIDTKCL-UHFFFAOYSA-N 337.467 4.142 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)N1CCN=C1S2 5616273 NZCYISFAVXGDID-UHFFFAOYSA-N 344.827 4.266 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1C 7683946 JUHCUCWWCVJDBC-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1ccc(Cl)cc1F 7755729 QUBVIRDIONYKCH-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 7986057 JWBDIPZLNJUHGC-UHFFFAOYSA-N 338.234 4.305 0 40 EIAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)cc1 8026055 KMUFURUWTDFQQG-LJQANCHMSA-N 336.435 4.003 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(Cc3ccccc3)n2)cc1 8042431 GEPUOEKOSRCJQJ-UHFFFAOYSA-N 336.460 4.080 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1c(C)cc(C)cc1C 8480263 XIDDUGSUNKKUGS-MRXNPFEDSA-N 327.424 4.417 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 8906426 ICGZIOOCCPAKGQ-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB CCc1cccc2c(C(=O)C(=O)Nc3ccc(F)c(Cl)c3)c[nH]c12 9615229 ZKYLCQQUTZLLMS-UHFFFAOYSA-N 344.773 4.344 0 40 EIAB CSc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 9694942 GLORJZQGNSNGJH-UHFFFAOYSA-N 327.858 4.004 0 40 EIAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 10143591 XZJFMPOAGHZQFJ-YTUJCQBYSA-N 347.480 4.091 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)CCC2 10922529 HUOFAVSJHWYAHJ-UHFFFAOYSA-N 332.403 4.402 0 40 EIAB O=C(NCCc1ccc(Cl)cc1)c1ncoc1-c1cccs1 12115117 JVQLBMIXDFYSNB-UHFFFAOYSA-N 332.812 4.029 0 40 EIAB CC(C)c1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1 12227704 DKFRSYCQDQPNLU-UHFFFAOYSA-N 326.421 4.159 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1F 12786759 IQYFBQINQZGHRG-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB Cc1cccc2cc3c(nc12)OCCN(CCc1ccc(F)cc1)C3 13563767 UZQIUDHQRDUUNC-UHFFFAOYSA-N 336.410 4.119 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C(C)C 16780042 JOACTTDMLJGZNA-YOEHRIQHSA-N 339.501 4.066 0 40 EIAB O=C(NCCc1cccs1)c1cccc(OCc2ccccc2)c1 17909345 HVIMRLOYBIHKDD-UHFFFAOYSA-N 337.444 4.300 0 40 EIAB COC[C@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 20242085 GYIQXFXJQDUZSQ-IQGJIOQQSA-N 329.827 4.032 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1 22524899 XMCZJPUWLSAOQU-HXUWFJFHSA-N 325.452 4.210 0 40 EIAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(Cl)cc1 22913891 WNZBNPOVSDWYLO-HXUWFJFHSA-N 343.902 4.222 0 40 EIAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OC(F)F 25259486 HLJVZBXGTADSOD-UHFFFAOYSA-N 346.377 4.110 0 40 EIAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)NC1CCCCC1 28229562 OCSGMZLONTWGGJ-UHFFFAOYSA-N 332.835 4.039 0 40 EIAB CCn1nc(C)c2c(C(=O)Nc3ccc(F)c(Cl)c3)cc(C)nc21 28246131 MDMCHIWXLIRGIO-UHFFFAOYSA-N 346.793 4.113 0 40 EIAB COc1cccc2c1N(C(=O)CSc1ccccc1Cl)CCC2 30575659 CNKKVLXRYINFHJ-UHFFFAOYSA-N 347.867 4.420 0 40 EIAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cccnc3)coc2c1C 31941940 GNDQWEBMKLGFPU-LJQANCHMSA-N 334.419 4.351 0 40 EIAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2cc(C)on2)cc1 32781007 KBZILBYEDQOLAP-UHFFFAOYSA-N 345.449 4.190 0 40 EIAB Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)c(N)c1 37287628 NESUSXYKJRBJHS-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2F)s1)C1CCCC1 40110696 CCEJECOARLQSAM-UHFFFAOYSA-N 340.370 4.280 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1C 44856725 HTPFQXBWOIIYFX-NRFANRHFSA-N 347.462 4.429 0 40 EIAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ncccc3C)c12 47057943 LWVKNUKZJMPAGN-UHFFFAOYSA-N 336.395 4.008 0 40 EIAB O=C(/C=C/c1cccs1)N1CCC[C@H](COCc2ccccc2)C1 49031467 QWJLWWOPPWAIPX-ZGKFYVQTSA-N 341.476 4.217 0 40 EIAB CC(C)C[C@@H]1N[C@H](C(=O)O)Cc2cn(CC3CCC3)c3cccc1c23 49171984 XTDSZERECGTQBJ-ROUUACIJSA-N 340.467 4.128 0 40 EIAB biogenic,in-vitro Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 55895919 RLNRLXZQUPGDEN-MAUKXSAKSA-N 336.435 4.175 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N1CCC(Oc2ccccc2)CC1 56377770 ZWLRGYLOYBPCOE-UHFFFAOYSA-N 348.402 4.025 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2Cl)[nH]n1 57412297 MAUQYDPFSUKXHP-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C 58249666 JEMFYWFYEPORHI-UHFFFAOYSA-N 342.342 4.286 0 40 EIAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 59996910 MAVMYICPMNWMJN-GOSISDBHSA-N 342.870 4.253 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)N(CC(F)(F)F)C1CC1 65490457 KOJXAOADDHCEQN-UHFFFAOYSA-N 346.399 4.347 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 72214692 FTLCNUDHCGATFD-INIZCTEOSA-N 333.476 4.390 0 40 EIAB COc1ccccc1Oc1cc(C(F)(F)F)nc(-c2cccnc2)n1 72286870 IOHCGPBDBDXPSX-UHFFFAOYSA-N 347.296 4.358 0 40 EIAB CC1CCN(c2ccc(C(=O)N3c4ccccc4CC[C@@H]3C)cn2)CC1 75091985 MCUIOVPJIHRCDG-KRWDZBQOSA-N 349.478 4.299 0 40 EIAB COc1cccc(-c2cc(Cl)nc(-c3cccc(OC)c3)n2)c1 78401288 PHVWPCRPPGZCMZ-UHFFFAOYSA-N 326.783 4.481 0 40 EIAB C[C@@H]1C[C@@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 78503123 YFUCARQGLFTVRO-MFKMUULPSA-N 325.309 4.222 0 40 EIAB Cc1cc(C)c2c(N)c(-c3noc(-c4ccc(F)cc4)n3)sc2n1 78546904 MMBVANLLBVVECO-UHFFFAOYSA-N 340.383 4.351 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N(CC(C)C)CC(C)(C)C 84052818 OBMVZOMUXLECOZ-UHFFFAOYSA-N 332.444 4.316 0 40 EIAB Cn1cc(NC(=O)c2cc3sc4ccccc4c3s2)ccc1=O 84314505 HYNATUYCBZIAGJ-UHFFFAOYSA-N 340.429 4.067 0 40 EIAB O=C(NC[C@@H]1CC=CCC1)c1cc2ccccc2cc1NC(=O)C1CC1 84605765 JSAUARGHPOJWGC-OAHLLOKOSA-N 348.446 4.274 0 40 EIAB COc1ccccc1-c1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[nH]n1 84671096 QQRSQPIMRFKMIB-KDOFPFPSSA-N 339.439 4.262 0 40 EIAB O=Cc1ccc(OCc2nc(-c3ccccc3C(F)(F)F)no2)cc1 89262956 WVQKGLIJYZCENO-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB CC[C@@](CNC(=O)CCc1cccc(Cl)c1)(OC)c1ccccc1 96391825 GGEUSUMOORAHCW-FQEVSTJZSA-N 345.870 4.341 0 40 EIAB c1ccc(CN2[C@@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@H]32)cc1 100213611 FNMXQOJCWACGTM-DHIUTWEWSA-N 337.426 4.147 0 40 EIAB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cc1ccccc1 100756801 DWBQJSBHIORAJO-UHFFFAOYSA-N 329.403 4.310 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 104007024 WMFRJSAFESQPKB-OKZBNKHCSA-N 343.467 4.337 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)cc1 113959262 XTZPGZVHCNSSMW-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB COc1ccc2nc(NC(=O)Nc3c(C)noc3C3CC3)sc2c1 121746312 OZFLFZUYDGYHOH-UHFFFAOYSA-N 344.396 4.123 0 40 EIAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccnc1 225428562 XRRKVBIPRYWLQX-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB CCc1nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2n1C 225896533 SXBPQJXAFWOYAW-UHFFFAOYSA-N 327.815 4.350 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N(C)c2ccccc2)n1 225916465 QKHKBLJHOPMASQ-UHFFFAOYSA-N 332.407 4.114 0 40 EIAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)C2CCCCC2)c1 226351831 KPHZSETZEPGLBL-UHFFFAOYSA-N 327.380 4.472 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)cc1)C1(c2ccc(F)cc2)CC1 390832004 WOOYZGBAMGKKRF-UHFFFAOYSA-N 335.378 4.434 0 40 EIAB COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2cccc3ncccc23)cc1 622834608 RKOHQBYJJNAUOT-LPHOPBHVSA-N 346.430 4.400 0 40 EIAB CCCc1nnc(SCc2cc(Cl)nc(C(F)(F)F)c2)o1 1616034892 OTYTXBWBRPLEBX-UHFFFAOYSA-N 337.754 4.382 0 40 EIAB CN(C)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 189356 RCMLJDVGMPPHCD-UHFFFAOYSA-N 331.828 4.268 0 40 EIAB Fc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 205867 ZQBUZNPHZFDPCF-JKSUJKDBSA-N 328.778 4.217 0 40 EIAB Cc1ccc2cccc(NC(=O)[C@]34CC[C@](C)(C(=O)C3)C4(C)C)c2n1 468904 NCGLJRQRWRTXEP-RTWAWAEBSA-N 336.435 4.267 0 40 EIAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 2726640 LPDVNLVHTKBAPW-UHFFFAOYSA-N 341.763 4.221 0 40 EIAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 3418538 XMSOBCKEVNYAFR-AWEZNQCLSA-N 348.402 4.204 0 40 EIAB Cc1cc2cc(CNC(=O)c3cccc(Br)c3)ccc2[nH]1 4138048 HJCUIGLUMJDYSC-UHFFFAOYSA-N 343.224 4.169 0 40 EIAB COc1ccc(-c2ccc(SCc3ccccc3)nn2)cc1OC 4355636 ZRLODLDQZFSBFN-UHFFFAOYSA-N 338.432 4.453 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3s2)[C@@H]1C 5035111 VJBKPCAJJMVXSS-UPJWGTAASA-N 334.510 4.329 0 40 EIAB CCn1nc(NC(=O)c2ccccc2F)c2cc3cc(C)ccc3nc21 5499111 PWJQMUDYLGODBU-UHFFFAOYSA-N 348.381 4.304 0 40 EIAB Cc1ccc2nc(C3CCN(C(=O)C4CCCCC4)CC3)[nH]c2c1 5626029 SIAVQQMUJRIADO-UHFFFAOYSA-N 325.456 4.158 0 40 EIAB O=C1Nc2ccccc2S[C@H]1Nc1cc(Cl)cc(Cl)c1 6938220 CLKALEIZDZQGIV-CQSZACIVSA-N 325.220 4.476 0 40 EIAB O=C(/C=C/c1cccs1)NCc1ccc(CN2CCCCC2)cc1 7448606 UDLWATKORDJPMU-ZHACJKMWSA-N 340.492 4.064 0 40 EIAB COc1cc(NC(=O)c2csc(-c3cccs3)n2)cc(OC)c1 7919969 AQHTVGJOBOOKOY-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 8494814 CERUAUGYTAVBLU-JTQLQIEISA-N 340.206 4.408 0 40 EIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2C)o1 9204718 WQFWZEGKPZQYLU-UHFFFAOYSA-N 339.391 4.097 0 40 EIAB C[C@@H](Oc1ccccc1)c1nn2c(C3CCCCC3)nnc2s1 11279246 XVAFDNABIFVXJQ-GFCCVEGCSA-N 328.441 4.374 0 40 EIAB Cc1cc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nc(C)n1 12016754 FHEMORDBLMEGMT-LLVKDONJSA-N 335.860 4.175 0 40 EIAB COC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12 12397133 RDTNMMNLJOKKFI-UHFFFAOYSA-N 334.331 4.245 0 40 EIAB CC[C@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O 12534705 BTDCVOPXVGDSSG-ZDUSSCGKSA-N 325.437 4.055 0 40 EIAB Cc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12812843 YHOHCGPGDDNYMM-UHFFFAOYSA-N 336.416 4.306 0 40 EIAB COc1ccccc1-c1cc(CSc2ccccc2C(=O)O)on1 12978366 CEENGFXCWKJTPN-UHFFFAOYSA-N 341.388 4.341 0 40 EIAB COc1cccc(-c2nc(C)c(C(=O)Nc3nc(C)cs3)s2)c1 13691538 BBJRCSDPBNFWOO-UHFFFAOYSA-N 345.449 4.144 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20484371 OTQUCYSMNWBQBJ-KGLIPLIRSA-N 347.842 4.383 0 40 EIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 21596638 GXRVZZZAUKEQFH-UHFFFAOYSA-N 348.446 4.416 0 40 EIAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(C)cc1 21787171 DFLWHGWLIZWFLG-FQEVSTJZSA-N 347.462 4.467 0 40 EIAB c1ccc(-n2cc(CNCc3cccs3)c(-c3cccnc3)n2)cc1 26304427 VIGYFUHYPMQCOP-UHFFFAOYSA-N 346.459 4.286 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)c1 28228465 BNOABDXGQPOOSW-LBPRGKRZSA-N 344.411 4.458 0 40 EIAB Cc1ccc2nc(S[C@@H](C)c3nc(-c4ccco4)no3)[nH]c2c1 29738136 OJMUJKBIMJSGFD-JTQLQIEISA-N 326.381 4.368 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 34867696 WQTKINSRLOIMFR-IHRRRGAJSA-N 328.378 4.476 0 40 EIAB O[C@H](CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 34879004 NLYDMZIZDAUGBL-FUHWJXTLSA-N 338.476 4.209 0 40 EIAB O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1ccc(F)cc1 36648309 BEKAGAHVKAMSQO-UHFFFAOYSA-N 345.370 4.374 0 40 EIAB O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCCCC1 38757096 AKLKHYMROYPFLO-UHFFFAOYSA-N 341.476 4.484 0 40 EIAB CC(C)(C)OC(=O)N1CCC(Nc2nsc3ccccc23)CC1 39325985 YEODCDAGTFRJIO-UHFFFAOYSA-N 333.457 4.108 0 40 EIAB COc1cc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)cc(OC)c1OC 39979629 IMBLOKVOKWQGAT-JKSUJKDBSA-N 335.488 4.407 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)NCCc1ccc2ccccc2n1 40150181 RJKGWUMPGSYHJS-OAHLLOKOSA-N 336.460 4.074 0 40 EIAB Cc1ccccc1C[C@H](C)NC(=O)c1cc2ccc(F)cc2nc1C 40155939 QHXJRIYWHQCTMU-AWEZNQCLSA-N 336.410 4.352 0 40 EIAB Cc1nc(Oc2ccc(OCc3ccccc3)cc2)c2cnn(C)c2n1 54041531 KRENQKGTVRJGTQ-UHFFFAOYSA-N 346.390 4.043 0 40 EIAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CNCc1ccccc1 57541654 LHSWQSHIKRJTJV-QGZVFWFLSA-N 336.479 4.404 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)/C=C/c1c(Cl)nc2sccn12 58393694 BMQARQWOTPQTEX-VOTSOKGWSA-N 339.892 4.393 0 40 EIAB Cc1ccc2nc(C)c(C(=O)N(CCN(C)C)c3ccccc3)cc2c1 63829344 ABEPECAXSXDZLF-UHFFFAOYSA-N 347.462 4.060 0 40 EIAB Cc1ccccc1-c1nc(C(=O)N(Cc2ccncc2)C2CC2)cs1 66629172 FXYQEDJDJXRWKS-UHFFFAOYSA-N 349.459 4.318 0 40 EIAB C[C@@H](NCc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1 69370983 YIHLVNBZORXZOK-MRXNPFEDSA-N 334.419 4.217 0 40 EIAB CCSc1ccc([C@H](C)NC(=O)N(C)Cc2c(C)noc2C)cc1 69587368 DAPRPQRVRHMZII-LBPRGKRZSA-N 347.484 4.306 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3C(C)C)cc12 70037845 LZRFHGMQPWFNLR-OAHLLOKOSA-N 333.501 4.323 0 40 EIAB Cc1occc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 71884317 MVJOPMKEJHFWSP-UHFFFAOYSA-N 340.404 4.083 0 40 EIAB C[C@H](c1ccccc1Cl)N(C)CC(=O)N(C)Cc1ccccc1F 71954377 GCMPGUVPAXKEHT-CQSZACIVSA-N 348.849 4.131 0 40 EIAB CCN(CC)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72212872 NPYHWLHEUJCUNF-IBGZPJMESA-N 337.467 4.295 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)n(C2CC2)c1C 73066955 UFQOOEIMLLYNSE-UHFFFAOYSA-N 348.450 4.495 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)Nc1cccnc1Cl 78523328 IGTJMYLJSUYFKB-UHFFFAOYSA-N 338.794 4.420 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1nc(C(C)(C)C)no1 80560128 HSMJCRPKQIVUPJ-VXGBXAGGSA-N 348.472 4.036 0 40 EIAB COc1ccc(CS(=O)(=O)[C@@H](C)c2cccs2)c(Cl)c1 83992837 FEHJKJMBEBLSLM-JTQLQIEISA-N 330.858 4.086 0 40 EIAB CC(C)n1cc([C@@H](C)NC[C@@H]2CCCN(Cc3cccs3)C2)cn1 95421351 OQAGHVNAUXWCNE-SJORKVTESA-N 346.544 4.088 0 40 EIAB O=C1C[C@H](CN[C@H]2CCSc3ccc(F)cc32)c2ccccc2N1 95423601 QATPZMCCAIZREM-WBMJQRKESA-N 342.439 4.078 0 40 EIAB CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)sc1Cl 95948936 NAAKCOIYPNQKCW-MRVPVSSYSA-N 330.302 4.110 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1 96445957 ZWSCSMCMDWEPMI-LBPRGKRZSA-N 331.416 4.001 0 40 EIAB CCCOc1cccc(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 97324297 WCDOQQLKOJZBAC-OAHLLOKOSA-N 344.430 4.074 0 40 EIAB O=C(NC(=S)Nc1ccccc1)C12CCC3C[C@@H](C[C@H](C3)C1)C2 100733050 CICPWWXJNUEUBB-LPRCSBTHSA-N 328.481 4.106 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)c1 102168702 XDTOZEPVXMWZFN-VDZJLULYSA-N 346.467 4.464 0 40 EIAB Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 138609791 SPTDNUYDNPCVID-ZQNQSHIBSA-N 329.490 4.397 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC 219282158 DHOZEPRLFXHGKL-INIZCTEOSA-N 341.451 4.131 0 40 EIAB C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2 223148826 DFMHATVECCHSFT-LBPRGKRZSA-N 344.252 4.429 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccccc1OC 224108046 GYNHJDLMWBOXMR-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224252662 MYUCIEBVZJSBHV-MOPGFXCFSA-N 348.475 4.204 0 40 EIAB Cc1ccccc1CSCCNC(=O)CCc1ccccc1F 224968226 YNCMAEJEAXPWDN-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB COc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cn1 225762706 BOAZBUZDANLLNN-QGZVFWFLSA-N 329.469 4.082 0 40 EIAB CCOc1ccccc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225794101 PWEWSFVJYVABMR-UHFFFAOYSA-N 347.418 4.027 0 40 EIAB COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)c(OC)c1 225960058 HIXUZTJMDTZRED-UHFFFAOYSA-N 331.437 4.213 0 40 EIAB Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)[nH]1 226299728 WNKZRFGPBJEQNY-UHFFFAOYSA-N 333.819 4.480 0 40 EIAB CCCN(CCC)c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 226323654 RBGQUEQGSMFLFC-HZPDHXFCSA-N 331.504 4.013 0 40 EIAB O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1 500900791 TZNKAGOHDABQEE-HOTGVXAUSA-N 335.407 4.126 0 40 EIAB O=S(=O)(c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 143954 YOJIWIMJJYIWJI-LJQANCHMSA-N 340.375 4.495 0 40 EIAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccnc1Cl 163417 MSFAJJXSJDGSQM-UHFFFAOYSA-N 341.823 4.209 0 40 EIAB O=C1c2ccccc2CCC[C@]12O[C@@H]2c1ccc(Br)cc1 163852 FFIGGUZNKZJROU-MSOLQXFVSA-N 343.220 4.478 0 40 EIAB CCOC(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@H]2O 1569598 XCLNUFYNMFOYAR-OAHLLOKOSA-N 348.196 4.080 0 40 EIAB Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)cc1 2787573 IMNKDLVYGYYZPC-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 3328530 IUYJCWPLITWUOT-UHFFFAOYSA-N 345.464 4.296 0 40 EIAB COc1ccc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)cc1 3342302 DOCJSAFTMSJXBM-JXMROGBWSA-N 336.309 4.471 0 40 EIAB CCCCN(C(=O)C1CCC1)c1nnc(-c2ccccc2C)s1 4982416 ZDNKBCVTJYASDT-UHFFFAOYSA-N 329.469 4.447 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC1CC1 5242887 DCNHDMZXJRDAPW-CYBMUJFWSA-N 349.459 4.056 0 40 EIAB CCn1cc(NC(=O)Nc2cc(OC)ccc2OC)c2ccccc21 5266182 JZVZWJBNBDLDBV-UHFFFAOYSA-N 339.395 4.322 0 40 EIAB CCc1noc(C)c1C(=O)OCc1cc2ccccc2nc1Cl 5391421 UHIYEAJYKUIZAW-UHFFFAOYSA-N 330.771 4.104 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 6153137 FXIFYKABWNUGJJ-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB Cc1ccccc1OCC(=O)Nc1nc(-c2cccs2)cs1 6216997 ZUJKSQBRNFDZOA-UHFFFAOYSA-N 330.434 4.198 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6609063 PZPODNOUAUTUTQ-GFCCVEGCSA-N 339.313 4.300 0 40 EIAB CCCCn1nnnc1NCc1ccc2c(c1)c1ccccc1n2CC 6869060 STLYXMAZRXPBDU-UHFFFAOYSA-N 348.454 4.213 0 40 EIAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1Cl 7604020 RTOVERKCZHSPPU-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C)c1C 8132515 WDNCKXGSAZHTIB-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB O=C(COc1ccc2ccccc2c1)OCc1nc2ccccc2o1 8524070 RASXGPRFPGEHDM-UHFFFAOYSA-N 333.343 4.103 0 40 EIAB CCn1c(Sc2ncnc3ccsc23)nnc1-c1ccoc1C 8707548 UULDBZYJPXAEMT-UHFFFAOYSA-N 343.437 4.022 0 40 EIAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)C)cc1 9461102 NXBWVYVSCXGAKX-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB COc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C 9643779 WOKOZWZVMIMVAU-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB O=C(CCc1ccco1)Nc1ccc(-c2cn3ccccc3n2)cc1 10322514 GQBRRLIPXNSFRC-UHFFFAOYSA-N 331.375 4.166 0 40 EIAB Cc1ccc(NCCC(=O)NCCCSc2ccc(F)cc2)cc1 12771584 OYXYXDGVJNHCTI-UHFFFAOYSA-N 346.471 4.235 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 12818306 FLUUPZWKRQZSCP-INIZCTEOSA-N 325.408 4.114 0 40 EIAB Cc1ccc(C)c([C@@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 12930688 HKVMECSBZKQILW-FOIQADDNSA-N 340.442 4.113 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1 13049181 MSFHZLCMFLQAIP-HNAYVOBHSA-N 327.424 4.038 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccccc1 13931555 OTORTTZRLCSWIH-HNNXBMFYSA-N 330.453 4.142 0 40 EIAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccs3)sc2c1 14257670 WHTZTQPVCQQGAW-UHFFFAOYSA-N 347.490 4.101 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 15941021 BXBFLXKMEOKYII-BJMVGYQFSA-N 332.378 4.463 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1 19210679 INCXLCRFBKARMK-UHFFFAOYSA-N 335.382 4.394 0 40 EIAB COc1ccccc1[C@@H]1N[C@H](c2nccs2)Cc2ccsc21 19571517 GWERKIIOKIQXJN-ZFWWWQNUSA-N 328.462 4.190 0 40 EIAB NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 20154504 PEXRYBKYDQTZBM-UHFFFAOYSA-N 338.219 4.457 0 40 EIAB CCOc1cc(CO)ccc1OCc1c(Cl)cccc1Cl 20362880 XCKRQSHMBZDLGI-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24664064 QQSBFCYTIJKPHG-JKSUJKDBSA-N 349.434 4.034 0 40 EIAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCc1ccco1 32903001 KHUQERXHFBSIBF-VMPITWQZSA-N 327.327 4.221 0 40 EIAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3cnccn23)c(C)c1 35615743 APKRBNFPAGTKHU-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl 38849659 SVLYJLYCQVQRKV-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB CCCOc1ccccc1NC(=O)N(C)Cc1ccc(OC)c(F)c1 43452275 DTYRZOURUVTSGH-UHFFFAOYSA-N 346.402 4.287 0 40 EIAB CCOC(=O)c1cc(-c2ccccc2)cc(Br)c1OC 57339897 ZHUDWBBTBHBDPZ-UHFFFAOYSA-N 335.197 4.301 0 40 EIAB C[C@@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl 57816054 JRBMEBKRDFUZIT-DNVCBOLYSA-N 342.870 4.354 0 40 EIAB O=C(Nc1ccc(NC(=O)c2sccc2C2CC2)cc1)NC1CC1 58382067 WHQRBEYGEOTXKL-UHFFFAOYSA-N 341.436 4.162 0 40 EIAB O=[S@@](Cc1ccccc1)Cc1coc(-c2cccc(Cl)c2)n1 66300350 YIESFFULPVRLKY-JOCHJYFZSA-N 331.824 4.444 0 40 EIAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccccc1 67295332 HLWHEDMCYROZFS-LNVKXUELSA-N 344.370 4.188 0 40 EIAB CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2cc(C)oc2C)ccc1Cl 67680456 PEYJWLAMIIDRKG-JTQLQIEISA-N 349.818 4.391 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(Br)nc1 72211589 AHEBZEQKSREEPO-OAHLLOKOSA-N 345.240 4.212 0 40 EIAB O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@@H](c2ccn[nH]2)C1 72299570 QLVWPBNPHOULNV-CTWPCTMYSA-N 337.467 4.090 0 40 EIAB CC(C)Oc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 73924081 WXZZWUPCXLOSMK-MOPGFXCFSA-N 341.426 4.075 0 40 EIAB C[C@@](O)(CNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 75155374 ICBICUDMLRWXIM-JOCHJYFZSA-N 349.405 4.130 0 40 EIAB Cc1coc(-c2cccc(NC(=O)c3c(F)cc(F)cc3F)c2)n1 84265454 VSSOUXORRLRQBS-UHFFFAOYSA-N 332.281 4.320 0 40 EIAB Fc1cccc(Cl)c1[C@H](CNCc1cccs1)N1CCCC1 89768030 XARVYHBXFFCXJR-INIZCTEOSA-N 338.879 4.467 0 40 EIAB O=Cc1ccccc1OCc1ccccc1COc1ccccc1C=O 95864998 CPVAJBWMFLBYIQ-UHFFFAOYSA-N 346.382 4.470 0 40 EIAB Cc1cc(-c2cnc(NCc3ccco3)nc2-c2ccc(C)o2)on1 105749239 BXUFKTDXGVXSBM-UHFFFAOYSA-N 336.351 4.214 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 113968892 HLMORSPULAJYGJ-GOSISDBHSA-N 327.424 4.444 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 113968921 ZXJQAQAXSQCDFQ-CQSZACIVSA-N 347.842 4.131 0 40 EIAB Cc1c(NC(=O)C[C@@H]2CCc3ccccc32)cnn1-c1ccccc1 129401447 HEAAUHNVOJESPF-KRWDZBQOSA-N 331.419 4.239 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 170569240 QAMLCFYSMBVTLY-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)Nc1ccccc1 211085093 VWTJUPNEZONEJL-UHFFFAOYSA-N 342.445 4.362 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1C 224257271 UZDFCFGUOYMZFW-RTBURBONSA-N 348.475 4.204 0 40 EIAB O=C(CCc1ccc(Cl)cc1)NCCOc1ccccc1Cl 225311399 JANHAKSKAGUVEB-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1 225569595 JPIMKXVXYJIHSU-NRFANRHFSA-N 337.463 4.381 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccsc3)CCCC2)s1 225680489 JPRJJCXEXUWSIV-LBPRGKRZSA-N 335.494 4.105 0 40 EIAB CO[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)s1 225701168 MOVLOLYJTXSZHC-CYBMUJFWSA-N 334.828 4.000 0 40 EIAB CCOC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1Cl 225762027 NTRVIHGMHJXNHE-UHFFFAOYSA-N 348.786 4.169 0 40 EIAB C[C@@H]1CCCCN1c1c(Br)cc(N)cc1Br 226316516 XGNRYEQEUDGFAI-MRVPVSSYSA-N 348.082 4.173 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1 253472857 QCVCWPKUBNBVCT-AWEZNQCLSA-N 337.394 4.351 0 40 EIAB CC(C)C(=O)N[C@@]1(C)C[C@H](Cc2ccccc2)O[C@@H]2C[C@H](C)CC[C@H]21 257224670 FCUZUTBFJFDPRB-GGPUMOOHSA-N 343.511 4.354 0 40 EIAB c1cncc(-c2ccc3c([C@@H]4CCCN4Cc4ccoc4)ncn3c2)c1 306143492 YDRXSDYXEDLOJU-IBGZPJMESA-N 344.418 4.326 0 40 EIAB Cc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c(=S)o2)cc1 409158221 SGRLFEJXMNWBPX-UHFFFAOYSA-N 339.420 4.128 0 40 EIAB CC(C)(C)OC(=O)N1CC=C(Cc2ccc(F)cc2)C(F)(F)C1 504821567 QXFGZSYLMKXYHE-UHFFFAOYSA-N 327.346 4.181 0 40 EIAB Cc1nc(CN(C2CCC2)[C@@H](C)C(=O)O)oc1-c1ccc(Cl)cc1 566509116 BJEMEPDNFPASQL-LBPRGKRZSA-N 348.830 4.131 0 40 EIAB Cc1cc2cc(NC(=O)N3CC4(CCOCC4)[C@H]3C(C)C)ccc2[nH]1 566962901 BYSOZPZIXMXUED-GOSISDBHSA-N 341.455 4.145 0 40 EIAB O=C(c1cc(Cl)ccc1F)N1CCCC[C@H]1[C@H](O)c1ccccc1 1640363056 AOKLEGLMAUXALA-ZWKOTPCHSA-N 347.817 4.207 0 40 EIAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)Nc1ccccc1F 1775969003 RNCJGEZNBGQFCT-CQSZACIVSA-N 346.383 4.002 0 40 EIAB O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccc(Br)cc1 163827 KCIJKKMJZDOIQE-IAGOWNOFSA-N 329.193 4.088 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 1972478 BIUCCTVBKMZGNT-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC)cc2)cc1 2522819 FOGUWHRMZYPNRG-UHFFFAOYSA-N 344.363 4.230 0 40 EIAB CCOP(=O)(NC(=O)Nc1cc(Cl)cc(Cl)c1)OCC 2577777 CNGYIAJIYPVXDT-UHFFFAOYSA-N 341.131 4.296 0 40 EIAB Cc1cccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)c1 2917557 BUUANSHNMOQWKC-UHFFFAOYSA-N 347.509 4.055 0 40 EIAB COc1ccccc1OCCNC(=S)Nc1ccc(C(C)C)cc1 3328295 CZNSWEJSDVBOPM-UHFFFAOYSA-N 344.480 4.184 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(F)c2)cc1OCC 3430347 XQCSTIYLYSSUKX-CYBMUJFWSA-N 331.387 4.114 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCc1ccc(Cl)cc1 3598128 VGOMFNBWNCJTJD-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB Cc1ccc(C)c(N2C[C@@](O)(c3cccs3)[N+]3=C2CCCCC3)c1 4086864 ZFTGBJMPPFSFCW-HXUWFJFHSA-N 341.500 4.015 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 4120057 MZPIRWQOIYWMJO-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB O=C(Cc1ccccc1)Nc1nc2c(Br)cccc2s1 4348684 BHLLEAUWOZYWFI-UHFFFAOYSA-N 347.237 4.240 0 40 EIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)cc2)N3)C1 4545414 ATHVFMNONXMGFT-HWPZZCPQSA-N 328.437 4.398 0 40 EIAB COc1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 4699741 JRTYWEVMJLUMEB-UHFFFAOYSA-N 345.398 4.284 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C(C)C)cc2c1 5248650 SOEWVGNYIZHUAM-UHFFFAOYSA-N 348.446 4.196 0 40 EIAB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@H]21 5519877 IURJXDRUVNGNGB-MEEZROHZSA-N 332.484 4.101 0 40 EIAB C[C@H](NC(=O)CSc1ccc2ccccc2n1)c1cccs1 5626888 LJGADFZMSOJUMY-LBPRGKRZSA-N 328.462 4.266 0 40 EIAB C[C@H]1CCCC[C@H]1NCC(=O)NC(c1ccccc1)c1ccccc1 6587729 GGOGYURSJVAMOY-FXAWDEMLSA-N 336.479 4.061 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)OCO2 6788902 FFEBWRCKCPCWBJ-UHFFFAOYSA-N 344.417 4.161 0 40 EIAB CCOc1ccccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6965110 PJWFWICSEJSXMD-BDYZYUDZSA-N 332.469 4.174 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)cs1 7437758 LWGAWFFXVHWQAN-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1F 8077761 PXPUCQNHVICJRG-UHFFFAOYSA-N 338.338 4.232 0 40 EIAB O=C(CCc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1 8278063 MXPYZDHEIJKWCL-UHFFFAOYSA-N 337.404 4.227 0 40 EIAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 9514061 PZHDWFPWEPUINQ-FOIQADDNSA-N 336.435 4.316 0 40 EIAB Clc1ccc(-c2cnc(CSc3nncn3C3CC3)o2)cc1 9983129 YRRDLLXBNYGOOY-UHFFFAOYSA-N 332.816 4.214 0 40 EIAB CCOc1ccccc1CCCNC(=O)CCc1ccc(CC)cc1 10111027 MNHUDSLMUYISRC-UHFFFAOYSA-N 339.479 4.329 0 40 EIAB O=C1CCCN1c1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1 12238713 IKFZSAMLZMONOT-UHFFFAOYSA-N 340.854 4.246 0 40 EIAB COc1ccc(-c2n[nH]cc2CNCc2ccccc2Cl)cc1 12530374 KYAJHJDITYDGBR-UHFFFAOYSA-N 327.815 4.029 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1csc(-c2cccs2)n1 14901424 WJQXDWKTTLHNNE-UHFFFAOYSA-N 340.473 4.333 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(OC)c3ncccc23)c1 15840681 RFHRGQVCYGYVHK-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB COc1ccccc1OCCNC(=O)c1ccccc1-c1ccccc1 17796741 ISZDUCSMYDXNPD-UHFFFAOYSA-N 347.414 4.171 0 40 EIAB COc1ccc(Br)c(C(=O)N[C@H](C)c2cccs2)c1 17841909 UWYHGOAYBBSLDK-SECBINFHSA-N 340.242 4.010 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)O)cc1 20452034 QHRWZIPSXQKPAD-LJQANCHMSA-N 349.386 4.334 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(F)cc1 20457626 GUNJXRYQJTXAPP-FQEVSTJZSA-N 343.442 4.349 0 40 EIAB NC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 24434938 KIYOCAFYOBUQJU-UHFFFAOYSA-N 331.375 4.097 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCOc2ccccc21 24586111 AOXFVJZJAFOYGM-UHFFFAOYSA-N 338.794 4.236 0 40 EIAB CCOC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(Cl)cc1 28218873 FPTRJSPPLNSVIB-MRXNPFEDSA-N 344.842 4.486 0 40 EIAB biogenic,in-vitro O=C(c1cn[nH]c1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 28956988 JONOKNNTVPRUJQ-UHFFFAOYSA-N 345.446 4.172 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1cccc(Nc2ncccn2)c1 30573662 FOYVVRYECMVJFX-UHFFFAOYSA-N 347.403 4.082 0 40 EIAB C[C@H]1c2cccn2CCN1C(=O)c1cc2c(ccc3ccccc32)[nH]1 30799738 QOBZLEWVXKYENW-AWEZNQCLSA-N 329.403 4.340 0 40 EIAB O=C(Nc1ccon1)c1ccc(COc2cccc3ccccc23)o1 32611328 PGHZQTSFSKXTMS-UHFFFAOYSA-N 334.331 4.252 0 40 EIAB Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1C 32642799 MNIBUVRGUPYZKM-UHFFFAOYSA-N 346.434 4.099 0 40 EIAB CN(C(=O)c1ccc(Br)cc1F)[C@H]1CCc2ccccc21 32905683 KHEKIZICMFCXEO-INIZCTEOSA-N 348.215 4.348 0 40 EIAB Clc1cc(Br)ccc1NC1CCC2(CC1)OCCO2 36963643 KVVXIGPEZQEEEX-UHFFFAOYSA-N 346.652 4.200 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 38493284 MENYRVLDWKVWLK-QKSWPAOXSA-N 334.500 4.322 0 40 EIAB biogenic CCCN(Cc1nnc(C)o1)[C@H](C)c1ccccc1Br 52134829 KDMDNCVMCWDESO-LLVKDONJSA-N 338.249 4.114 0 40 EIAB CSc1cccc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)c1 58227278 LAJJTIADLHHQSF-UHFFFAOYSA-N 343.374 4.457 0 40 EIAB O=C(O)c1cnc(/C=C/c2ccc(OCc3cscn3)cc2)s1 58363183 XECBMQFFPLPTQY-ZZXKWVIFSA-N 344.417 4.047 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2c(s1)CCC2 58416937 MRJCSTKVPFXCJG-UHFFFAOYSA-N 337.404 4.071 0 40 EIAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)c2n1 59294286 CHGSAXIHYGVQHZ-UHFFFAOYSA-N 349.459 4.287 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC 59351173 WNYZSPYBAYGCOI-YCABEKBOSA-N 339.435 4.211 0 40 EIAB CCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 60486237 FNUKETCMPUQBFE-UHFFFAOYSA-N 340.448 4.319 0 40 EIAB CC(C)Sc1ccc(CC(=O)N(Cc2cccn2C)C2CC2)cc1 62150575 OBCISWGKDWDPIS-UHFFFAOYSA-N 342.508 4.259 0 40 EIAB CCOC1CCN(C(=O)Nc2cccc(OC3CCCC3)c2C)CC1 71857127 KRZFXSSBCJPVFH-UHFFFAOYSA-N 346.471 4.349 0 40 EIAB COc1ccc(OCCCCn2c(C(C)=O)nc3ccccc32)cc1 76556486 CMUFJSRWGTVFDE-UHFFFAOYSA-N 338.407 4.107 0 40 EIAB COc1cccc(N/N=C2/C(=O)Nc3ccc(-c4ccccc4)cc32)c1 83973511 BHYZZCXZBCTSCT-UHFFFAOYSA-N 343.386 4.131 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CC1(Cl)Cl 88262221 PGPWQBRICXVEEX-CABCVRRESA-N 338.209 4.225 0 40 EIAB O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCOCC1 95412444 MGRMPTRXIXVYQE-GOSISDBHSA-N 347.817 4.111 0 40 EIAB Cc1oc(-c2ccco2)nc1CSCc1nnc(C(C)(C)C)o1 95412907 YRDKEIDKYPHTOV-UHFFFAOYSA-N 333.413 4.357 0 40 EIAB Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCc3nccn3C)cc2)o1 95419409 NOZQKQSGAGPWKX-JKSUJKDBSA-N 339.439 4.312 0 40 EIAB C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1nc(-c2ccccc2)cs1 95420779 AWGYECJCXKDAAG-ZNZDAUKMSA-N 336.460 4.119 0 40 EIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100190174 CUZYYBBWGOTCTF-JDORSLCVSA-N 343.442 4.279 0 40 EIAB CCCCN1C(=O)/C(=C/c2cccc(-c3ccccc3)c2)NC1=S 102387118 ZXJHGXVEVFIGMH-JXAWBTAJSA-N 336.460 4.211 0 40 EIAB O=c1nc2n(c3ccccc13)CC/C2=C/c1c(F)cccc1Cl 102501314 HWSSBWVVEWRBGS-KHPPLWFESA-N 326.758 4.133 0 40 EIAB Cc1ccc(-c2csc(N[C@H]3OC(=O)c4c#cccc43)n2)c(C)c1 102813410 VVUDXGMFTYNWEP-KRWDZBQOSA-N 334.400 4.308 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1sccc1SC(F)F 107100404 RGMKAUWBULTWGG-UHFFFAOYSA-N 325.365 4.191 0 40 EIAB Ic1ccc(-c2nc3ccccc3s2)o1 215350243 IHBQCFFVRLLFCT-UHFFFAOYSA-N 327.146 4.161 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2cc(C)ccc2C)c1 218948497 ABKGIXXVNGUOJH-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB O=C(c1ccc(F)c(F)c1F)N1CCS[C@H](c2ccco2)CC1 219419200 YQZFWBNSQSHVLJ-ZDUSSCGKSA-N 341.354 4.017 0 40 EIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)[nH]1 224154780 XMRKVPDDVUJGLI-RBUKOAKNSA-N 348.475 4.204 0 40 EIAB O=C(CSCc1ccccc1F)Nc1ccc(N2CCCC2)cc1 224935029 WFGATCYWADCNEQ-UHFFFAOYSA-N 344.455 4.298 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CCc2ccc(Cl)cc2)c1 225308053 VMVCYBXLXWEWQH-UHFFFAOYSA-N 331.843 4.376 0 40 EIAB CC(C)OC(=O)c1ccc(N[C@@H](C)CCc2ccccc2)c(N)c1 225448852 OXUJCWKVKJOHSK-HNNXBMFYSA-N 326.440 4.267 0 40 EIAB CC(C)(C)SCCNC(=O)CCSc1ccc(Cl)cc1 408922821 HHJUMHCHBCDCET-UHFFFAOYSA-N 331.934 4.470 0 40 EIAB O=S(=O)(c1cccc2ccccc12)N1CC[C@@H](c2cccs2)C1 828391902 UIDKWHZGRXRMHH-OAHLLOKOSA-N 343.473 4.080 0 40 EIAB Cc1cccc([C@@H](C)NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)c1C 1627716148 HSCUHRJFYAOWRL-QGZVFWFLSA-N 345.446 4.355 0 40 EIAB FC(F)(F)c1cccc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1888855739 DATFPLHJMRPNTE-HOTGVXAUSA-N 335.373 4.270 0 40 EIAB COc1ccc([C@H]2OC[C@@]3(COC(C)=O)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 519052 WSCCZHJZVDZUSC-OCKVUFDMSA-N 344.451 4.164 0 40 EIAB CCOc1ccc(Cc2onc3c2C(=O)CC(C)(C)C3)cc1OCC 1423594 IIWZTTGNOBIZHG-UHFFFAOYSA-N 343.423 4.218 0 40 EIAB CC1(C)CCCN1CCOC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1 1683417 VBVWXWCTRUOHLX-GBESFXJTSA-N 331.500 4.343 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)o1)c1cc(Cl)sc1Cl 4276186 RCZXMBSBNUDGBH-UHFFFAOYSA-N 340.191 4.357 0 40 EIAB aggregator COc1cccc(CSc2nnc(C)n2-c2ccc(C)cc2)c1 4354792 QLIHJQQCEQVMLG-UHFFFAOYSA-N 325.437 4.185 0 40 EIAB Cc1c(Cl)cccc1N1C(=O)C=C(c2ccc(Cl)cc2)C1=O 4413893 WGRUJSDUHANICE-UHFFFAOYSA-N 332.186 4.259 0 40 EIAB Cc1ccc(SCCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 4496551 AALQHFRUHUEPGP-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2)N3)C1 4555587 HSMCHHYUYAFXIB-HNNXBMFYSA-N 347.871 4.208 0 40 EIAB CCC(=O)N1c2ccc(C)cc2[C@@H](OC(=O)c2ccccc2)C[C@@H]1C 4992862 FMYJZUSFKVVZIP-KXBFYZLASA-N 337.419 4.428 0 40 EIAB O=C(Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1)C1CC1 5000418 RWARYNWFEKJPKV-UHFFFAOYSA-N 327.236 4.389 0 40 EIAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 5032292 XAIGKWOZNKOQDO-UHFFFAOYSA-N 339.322 4.345 0 40 EIAB COc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2ccccn2)c1 5347364 ANVMWXQSCKIHMD-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OCC 5559934 OHMOHJPYMRXGNO-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1Cl 6127922 OFZGOSLRSRPZTR-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 6392809 MKDICXLDFPOXNL-UHFFFAOYSA-N 334.444 4.407 0 40 EIAB Cc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C 7053068 VSMQELXJEMQVEC-UHFFFAOYSA-N 345.342 4.003 0 40 EIAB COc1cccc(CNc2nc(C(F)(F)F)nc3ccccc23)c1 8075300 BWTCEEAQRQEINH-UHFFFAOYSA-N 333.313 4.269 0 40 EIAB Cc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1 8079066 XUIOXUXQZWYILE-AWEZNQCLSA-N 325.437 4.258 0 40 EIAB COc1ccccc1-c1nc(-c2ccc(CNC(C)=O)cc2)cs1 8209350 FFUZNAUGQNJAOJ-UHFFFAOYSA-N 338.432 4.122 0 40 EIAB COc1cccc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 9366774 XBJGTSPWOGPISB-FQEVSTJZSA-N 332.403 4.487 0 40 EIAB COc1ccc(-c2n[nH]cc2CNCc2ccc(Cl)cc2)cc1 12530418 RUGBZSGHYIWZPO-UHFFFAOYSA-N 327.815 4.029 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3)o2)[C@@H]1C 12551888 RSTUAYCZSBIHGT-IIDMSEBBSA-N 327.424 4.413 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccc(F)cc1 12766290 XQCFPJXDUQKJPZ-INIZCTEOSA-N 337.753 4.017 0 40 EIAB CCc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 12975544 KXTDHARVUCXHGX-UHFFFAOYSA-N 336.479 4.165 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2C)cc1 13115481 LZVMDRWDDBHINA-FQEVSTJZSA-N 349.459 4.052 0 40 EIAB COc1ccc(CCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 13816721 RHUNNFUQSZVANB-UHFFFAOYSA-N 334.872 4.186 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 15538945 SGAQSDUZTRPFNM-FZXOMJPYSA-N 337.419 4.081 0 40 EIAB CCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 16070031 HENXEGXEYWGZRR-OAHLLOKOSA-N 326.827 4.479 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1cc(C(=O)O)ccc1Cl 20284636 YVJFUGSOVOSVRP-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB COc1cccc(CN(C)C(=O)/C=C/c2c(F)cccc2Cl)c1 20916632 AYNWAYUVXARGIL-MDZDMXLPSA-N 333.790 4.160 0 40 EIAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc2ncccc12 22240987 PFHFEWSHYKDEHI-HNNXBMFYSA-N 331.419 4.015 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1OC 22531475 NRPNENUNVUUFIY-KGLIPLIRSA-N 345.464 4.062 0 40 EIAB O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccccc1Cl 23142531 ANLQADKKJNGENP-UHFFFAOYSA-N 343.732 4.168 0 40 EIAB Cn1cc(C(=O)Nc2ccccc2N2CCCCC2)c2ccccc21 23793028 GIRJPGFWIHZTRM-UHFFFAOYSA-N 333.435 4.421 0 40 EIAB CC(=O)Nc1ccc(CC(=O)O[C@H](C)c2ccccc2Cl)cc1 25624317 MTBQPTCJASANLC-GFCCVEGCSA-N 331.799 4.145 0 40 EIAB C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccncc1 27405475 HXFFNVGLTVSPTL-QGZVFWFLSA-N 346.430 4.065 0 40 EIAB Cc1nccc(-c2cccc(NC(=O)/C=C/c3ccc(C)s3)c2)n1 33124765 HICMSPXTKAUMGL-CMDGGOBGSA-N 335.432 4.474 0 40 EIAB CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)C)cc2)cc1 36559403 PODIQBJCFOYDBJ-UHFFFAOYSA-N 341.451 4.292 0 40 EIAB CCCCN(C)C(=O)c1cc(C)nc2onc(-c3ccccc3F)c12 36618449 VFDVACGDWXRNGF-UHFFFAOYSA-N 341.386 4.209 0 40 EIAB CC(C)(C)OC(=O)Nc1nc2cc(Br)ccc2s1 38665676 HFZLKRISXMESHK-UHFFFAOYSA-N 329.219 4.406 0 40 EIAB O=C(Nc1ccccc1F)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38849229 GJEMNCYKAFLLSI-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB CCc1cccc(CC)c1NC(=O)Cc1c(C)nn(CC(C)C)c1C 39994088 ZGQCHUBBVOMOOO-UHFFFAOYSA-N 341.499 4.462 0 40 EIAB Cc1cc(Br)cc(Cl)c1NC(=O)c1ccccn1 40548949 PODJMKNGYQYHCJ-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1occc1-c1ccccc1 48265476 SPAUBSLOPUZWQW-YJBOKZPZSA-N 327.424 4.272 0 40 EIAB Cc1ccc2nc(C)c(C(=O)N(Cc3cccnc3)C3CC3)cc2c1 48290393 OWWIMBXHJKIZCT-UHFFFAOYSA-N 331.419 4.051 0 40 EIAB O=C(CS[C@@H]1CCCc2ccccc21)N1CCc2ccccc2C1 48355791 IZQJJDWNQQLCKK-HXUWFJFHSA-N 337.488 4.382 0 40 EIAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1 49170055 GRZHXJHMKCVBGG-KRWDZBQOSA-N 349.434 4.043 0 40 EIAB biogenic,in-vitro O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(F)cc1 56348393 BGDMVLNQRLQBTR-INIZCTEOSA-N 329.371 4.026 0 40 EIAB O=C(OC[C@@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2)o1 58426452 XSBFKDLKNJAMBK-INIZCTEOSA-N 349.386 4.344 0 40 EIAB Cc1ccccc1-c1csc(NC(=O)c2cnn(C)c2C(F)F)n1 66305241 CBKKZUDCVXAGFM-UHFFFAOYSA-N 348.378 4.042 0 40 EIAB C[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H](c2ccccc2)O1 69569788 HCIAPUDCQYPYOG-KDOFPFPSSA-N 341.476 4.229 0 40 EIAB CCN(CC)c1cc(NC(=O)c2ccccc2F)c(Cl)cc1N 72229197 MGXPLEMOEAXDIP-UHFFFAOYSA-N 335.810 4.160 0 40 EIAB Nc1ccc2c(c1)C=NCCN2C(=O)c1cccc2c(Cl)cccc12 73642320 MMLWFKPGSFASQR-UHFFFAOYSA-N 349.821 4.155 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)o1 79029725 BWXFNNGHKDBJRT-SECBINFHSA-N 346.774 4.050 0 40 EIAB O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2 95465831 KRZVRDZRQQNTEJ-LJQANCHMSA-N 337.394 4.127 0 40 EIAB O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccc1 95951708 MODPAPWMWURKBP-CIAFKFPVSA-N 339.454 4.345 0 40 EIAB CNC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)c1 95967460 LUNGKPBQWNDJQP-HNNXBMFYSA-N 334.419 4.157 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1ccccc1 96222761 MQICROXLFLOEKZ-FQEVSTJZSA-N 348.446 4.303 0 40 EIAB biogenic O=c1[nH]c(/C(Cl)=C/c2c[nH]c(-c3ccccc3)n2)nc2ccccc12 96297575 JCMKHAGMZUPCEY-GDNBJRDFSA-N 348.793 4.050 0 40 EIAB CCn1nc(C)c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1C 96489630 SDNGPPJGHXBTAY-MRXNPFEDSA-N 338.455 4.041 0 40 EIAB CCn1c([C@H](C)N[C@H](C)Cc2ccc(F)cc2)nc2ccccc21 97032876 AJERHQAKKGVZLF-CABCVRRESA-N 325.431 4.477 0 40 EIAB Cc1cc(NCc2ccc(-c3cccnc3)o2)ccc1C(=O)NC(C)C 97050950 HVNIXOKFPONSAE-UHFFFAOYSA-N 349.434 4.400 0 40 EIAB O=C(O)[C@]12C[C@@H]3C[C@@H](CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C1)C2 100033306 GLJDZZQQPFAEPQ-TWHNLQQGSA-N 330.268 4.193 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc3ccc(Cl)cc3n2)c(C)n1 176906960 RYNNKFWOAUIFGP-UHFFFAOYSA-N 325.799 4.461 0 40 EIAB Cc1cc(OCC(=O)n2cc(C=O)c3ccccc32)cc(C)c1Cl 216788114 HFXOHLJKILDQHK-UHFFFAOYSA-N 341.794 4.443 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2cccc(Cl)c2)cc1 222764205 ONSSDWFOECUIIE-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1ccc(C)c(OCC(=O)NCCOc2ccc3ccccc3c2)c1 223614647 AWVZSDAYQWDZFG-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224106664 UNDYZBCIOWYJBD-HNNXBMFYSA-N 327.424 4.111 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 224343811 NHWHMNCVNYIBNA-IBGZPJMESA-N 325.452 4.430 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(Cl)cc1 224618104 PUKWEQUNNLIHGY-GOSISDBHSA-N 331.843 4.165 0 40 EIAB Cc1c(Cl)cccc1C[C@H](Oc1ccccc1Cl)C(=O)O 225070513 MACHIXUIMYXLHH-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCC(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254404 GSGJKNVTVXRSKH-OQLLNIDSSA-N 349.456 4.310 0 40 EIAB O=C(NCCCc1ccccc1)c1ccc2sc(Cl)nc2c1 225977105 SOKWVEYOIVURRB-UHFFFAOYSA-N 330.840 4.312 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1ccnc(OCC2CC2)c1 245170841 XIUZBEULOGFQDP-UHFFFAOYSA-N 336.313 4.142 0 40 EIAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C1CCCCCCCCCCC1 247779183 ZVXZYLUIOPONDY-RNIPGJKVSA-N 329.484 4.467 0 40 EIAB Cc1cccc2c(C[C@H](C)NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)c[nH]c12 248339605 TXEHMLKZUFDAAC-QNDJGXFYSA-N 334.463 4.126 0 40 EIAB Cc1cc(CCC(=O)NCc2ccc(-c3ccoc3)nc2)ccc1F 390831448 RWSMMKVSFJDVAH-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB Cc1ccc(/C=C/C(=O)NCCSCc2ccccc2C)cc1 408546886 HBVODTSZQHFPLH-VAWYXSNFSA-N 325.477 4.366 0 40 EIAB Cc1ccc(-c2c/c(=N\S(=O)(=O)c3ccccc3)ss2)cc1 408731202 LFYNXQYOXTVFRA-WUKNDPDISA-N 347.486 4.075 0 40 EIAB CC(C)c1nnc(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)o1 600685009 PBELATLZGMCPMW-UHFFFAOYSA-N 342.418 4.193 0 40 EIAB O=C(O)c1ccc(-c2nc(CN3CCCC4(CC3)CC4)cs2)cc1 629378535 REGIWPYUXAHUKL-UHFFFAOYSA-N 342.464 4.274 0 40 EIAB Cc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1Cl 246095 OGXPSBFPNILIFP-UHFFFAOYSA-N 346.839 4.054 0 40 EIAB CCOc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1 530980 VSRCRMFFMCKYBE-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 567013 AOPKTUIVTDFJRE-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB NC(=O)c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 1385415 MTHAAZCUVZVRFE-UHFFFAOYSA-N 332.734 4.004 0 40 EIAB CCc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 3184384 SIFJKAJJUOQDSB-UHFFFAOYSA-N 325.433 4.227 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 3242223 YTKJJQRCRSOQIW-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB CSc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1 3328334 DEHKMJUSBPDGQE-UHFFFAOYSA-N 346.540 4.327 0 40 EIAB CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2c1S[C@H](C)C2=O 3345017 WPUZCNVJKVJSLW-SECBINFHSA-N 335.812 4.120 0 40 EIAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1(c2ccccc2)CCCC1 4029302 TVSLBGTUONIWBK-AZUAARDMSA-N 341.495 4.306 0 40 EIAB biogenic CC(C)Oc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 4188649 MNSYXKFMWITGFO-UHFFFAOYSA-N 339.420 4.245 0 40 EIAB Cc1ccc(COc2coc(CN3CCc4ccccc43)cc2=O)cc1 4304530 NNEMSRQLGUOXJB-UHFFFAOYSA-N 347.414 4.090 0 40 EIAB COc1ccc(-c2noc([C@H](C)Oc3ccccc3C)n2)cc1OC 4385448 YJSVBSCPKREMLQ-ZDUSSCGKSA-N 340.379 4.202 0 40 EIAB C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 4430039 FMPNFDSPHNUFOS-KSGZAJEQSA-N 345.527 4.419 0 40 EIAB CCc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2c(OC)cccc23)c1 4852769 DEVUXWDMUUMILV-OXQOHEQNSA-N 338.407 4.027 0 40 EIAB CCOCCCNc1c(CC)c(C)nc2cc(-c3cccs3)nn12 4980825 YPJSPOQGNWIEIE-UHFFFAOYSA-N 344.484 4.167 0 40 EIAB C[C@@]12C[C@@H](C(=O)O)[C@@](C)(C1=O)C(c1ccccc1)=C2c1ccccc1 5542500 FMCRQNULZBIBDZ-WQTXXOFMSA-N 332.399 4.297 0 40 EIAB CCOc1ccc(OCCCC(=O)Nc2ccc(C(C)=O)cc2)cc1 5557453 LVWDQFGXXABSCA-UHFFFAOYSA-N 341.407 4.086 0 40 EIAB O=C(CSc1cccs1)Nc1ccc(Br)cc1 5770580 OMRKZGFACVWIAV-UHFFFAOYSA-N 328.256 4.241 0 40 EIAB C[C@@H]1CCCC[C@H]1NCC(=O)NC(c1ccccc1)c1ccccc1 6586286 GGOGYURSJVAMOY-YLJYHZDGSA-N 336.479 4.061 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)c1 7194968 WDLQBIFNSDRYQW-UHFFFAOYSA-N 328.393 4.230 0 40 EIAB c1ccc(-n2c(SCc3cscn3)nnc2-c2ccco2)cc1 7367552 DAWSKLZPQVBPHV-UHFFFAOYSA-N 340.433 4.276 0 40 EIAB C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccc2ccccc2c1 7600819 ZMYQMDBELOOCQO-MRXNPFEDSA-N 330.431 4.080 0 40 EIAB COC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8041298 RQSSPDMGIMKART-UHFFFAOYSA-N 329.421 4.226 0 40 EIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 8215044 UIKPUXIQCRHLCH-CQSZACIVSA-N 343.448 4.124 0 40 EIAB C[C@H](Oc1ccc(C2CCCCC2)cc1)C(=O)NCC(F)(F)F 8344284 KUEJNYSGNQUOQX-LBPRGKRZSA-N 329.362 4.180 0 40 EIAB COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)cs3)o2)cc1 8505560 IEUMGMZQHBSYIT-SNVBAGLBSA-N 333.438 4.363 0 40 EIAB CCCCOC(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1 9350696 YWQKWKWDLYLBSD-JXMROGBWSA-N 333.413 4.066 0 40 EIAB CC[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 9420290 QYUPMGZUCAGSGF-APWZRJJASA-N 333.435 4.420 0 40 EIAB O=C(NC1CCCCC1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 9461491 RGWGQLBFUPUQLE-JZAZDWQXSA-N 330.299 4.291 0 40 EIAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1n[nH]c2ccccc12 11486650 WRFKFDQIYCASOH-VAWYXSNFSA-N 340.386 4.381 0 40 EIAB COc1cc(OC)c(NC(=O)Cc2c[nH]c3ccccc23)cc1Cl 11601468 KSBHMDLUTUVRKR-UHFFFAOYSA-N 344.798 4.020 0 40 EIAB C[C@@H](O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 12894802 VWNZBPADPDNNDJ-SNVBAGLBSA-N 330.434 4.177 0 40 EIAB CCOc1ncccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 12976679 YBYALGCGCXKVPW-AWEZNQCLSA-N 348.855 4.101 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 12994689 LADBOYSJUVPOTE-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(CN2CCCC2)cc1 14245474 ZXBILFXROHASLE-UHFFFAOYSA-N 347.462 4.002 0 40 EIAB Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1Cl 14291465 ULTOJIDRZGYPOQ-UHFFFAOYSA-N 330.236 4.244 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1c(C)[nH]c2ccccc12 16295989 NUDARRRRDDPSEY-UHFFFAOYSA-N 337.375 4.045 0 40 EIAB Cc1cc(-c2snnc2[C@H]2CCCN(CC3CCCCC3)C2)on1 19120731 AWSPLLFRFPXNRZ-HNNXBMFYSA-N 346.500 4.261 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 20482619 QCCQOULPRROTDL-JTQLQIEISA-N 340.206 4.408 0 40 EIAB Cc1nc(N2[C@@H](C)CCC[C@H]2C)nc2c1C(=O)C[C@@H](c1ccco1)C2 20673010 UKJNCXUBFUMRBM-GUTXKFCHSA-N 339.439 4.058 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)cs1 24342227 HPZWLXULVZQPDY-UHFFFAOYSA-N 340.423 4.117 0 40 EIAB COc1ccc(NC(=O)c2ccccc2F)cc1OC1CCCC1 24505339 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Cc1nc(CN(C)Cc2nccs2)oc1-c1ccc(Cl)cc1 84061335 HEBFTYZYPOOIFC-UHFFFAOYSA-N 333.844 4.392 0 40 EIAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnn(-c2ccccc2)c1 88464302 AJMYAZLURBMLDT-UHFFFAOYSA-N 335.407 4.262 0 40 EIAB O=C(NCc1csc2ccccc12)C1=NO[C@H](c2ccccc2)C1 89827851 GCAYPTFLBHYNLI-KRWDZBQOSA-N 336.416 4.035 0 40 EIAB Cc1ccc([C@@H](NC(=O)c2ccc3nc4n(c3c2)CCC4)C2CC2)cc1 95950353 MLOSJULWXSXHFJ-OAQYLSRUSA-N 345.446 4.172 0 40 EIAB C[C@@H](Cn1cccn1)N[C@@H]1CCCOc2c1ccc(Cl)c2Cl 97162451 NTNPVXVTTRAYEL-SMDDNHRTSA-N 340.254 4.082 0 40 EIAB Cc1ccc(C(=O)N2[C@H]3C=C[C@@H](C3)C2(C(F)(F)F)C(F)(F)F)cc1 100637255 GUAQAAUEJQSNKZ-RYUDHWBXSA-N 349.274 4.259 0 40 EIAB O=C(Nc1ccccc1)[C@@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]2C=C[C@H]1CC2 104185418 VSAHDLMNNBPSQK-FVCZOJIISA-N 346.430 4.092 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)[C@@H](C)C(=O)c2ccccc2)cc1C 104274031 UDNLHGOJSKFHNI-MRXNPFEDSA-N 337.419 4.110 0 40 EIAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 222481687 MSGJBXBPJDFSGP-SDADXPQNSA-N 349.352 4.187 0 40 EIAB COC(=O)c1cn(C(=O)Cc2ccc(Cl)cc2F)c2ccccc12 222645428 USDVYEZIDHTGTB-UHFFFAOYSA-N 345.757 4.103 0 40 EIAB CC(C)Oc1cccc(CNC(=O)Cc2ccc(Cl)cc2F)c1 222950904 GYXJFEUFRDULOH-UHFFFAOYSA-N 335.806 4.125 0 40 EIAB O=C(Cc1ccccc1Cl)NCc1ccnc(-c2ccsc2)c1 225754867 NFWDBCHVFXDWOV-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB CC(=O)N[C@@H]1C[C@H](C(c2ccccc2)c2ccccc2)O[C@@H]2CCC[C@@H]12 257330960 XQTQFJCTWZGWPA-DXBBTUNJSA-N 349.474 4.281 0 40 EIAB Cc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3C)no2)C1 257344635 ZYCHEDMQEMHNJA-SFHVURJKSA-N 333.435 4.343 0 40 EIAB CC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(F)cc1 347707 GHZNNDWKJRHDCK-UHFFFAOYSA-N 331.406 4.341 0 40 EIAB COc1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1 526886 AKWYYMLMGTZLKA-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nc3ccccc3s1)CC2=O 531947 LNHUDAPGDCHUCR-QZTJIDSGSA-N 328.437 4.020 0 40 EIAB Cc1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)c(C)c1 542924 QFBDDOKWHLNULD-UHFFFAOYSA-N 346.438 4.128 0 40 EIAB CCC[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 552562 WJYPWBGNQXSGGQ-MRXNPFEDSA-N 327.815 4.488 0 40 EIAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1018936 MNUIOKMATAXWBR-BOPFTXTBSA-N 339.416 4.240 0 40 EIAB C[C@@H]1CCc2sc3nc(NC4CCCCC4)n4ncnc4c3c2C1 2443766 ZIJMLLUWSQKNFT-LLVKDONJSA-N 341.484 4.208 0 40 EIAB CCc1cc2c(SCC(=O)c3ccccc3F)ncnc2s1 2621215 YFYQUPOSYYMTTI-UHFFFAOYSA-N 332.425 4.368 0 40 EIAB COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)c1 2740876 XTDDUTMJMWJBDO-UHFFFAOYSA-N 329.350 4.459 0 40 EIAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccccc1-c1ccccc1 3321636 ZMOYVINDXBZUBT-OUKQBFOZSA-N 347.370 4.142 0 40 EIAB CSc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1 3323076 RMWBZNPOSGFWDU-UHFFFAOYSA-N 334.872 4.132 0 40 EIAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccc1F 3895845 MAXUPAXXRFAVFA-JMLCCBQJSA-N 348.462 4.121 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccccc1 4304992 GLOBQXKBQDGTDU-LJQANCHMSA-N 347.418 4.205 0 40 EIAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 5103969 IUUYBPLUVNWKLO-UHFFFAOYSA-N 339.435 4.396 0 40 EIAB C[C@@H]1C[C@H]1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 5405606 WXZSTUOCEWEPDV-RHSMWYFYSA-N 347.414 4.227 0 40 EIAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 5629051 XLXLNOFEBAZJCT-LLVKDONJSA-N 346.481 4.193 0 40 EIAB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 5690020 AXUVZEYWXFGBJO-BJMVGYQFSA-N 332.208 4.144 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C)c1 5827137 UJJAIGQUUDBRNF-ZDUSSCGKSA-N 325.437 4.001 0 40 EIAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 6654792 LBMUFEQRMZABAE-UXBLZVDNSA-N 332.208 4.145 0 40 EIAB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 7037286 ZUCQSKGSDWRENA-INIZCTEOSA-N 348.240 4.339 0 40 EIAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCC[C@@H]2C)o1 7525108 JPBKLXZSHIGGHI-ZDUSSCGKSA-N 338.411 4.074 0 40 EIAB COc1ccc(CN(C)C(=O)CSCc2ccccc2Cl)cc1 7871775 AYNJVWGRJQEVBR-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2cccc(C)c2C)c(C)n1 8060316 HUGFFOZEDIDODV-UHFFFAOYSA-N 329.469 4.003 0 40 EIAB O=C(NCc1ccccc1Cl)c1ccc(F)cc1Br 8076848 OMIICXATAFLBKS-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C=O)c(C)c1 9235961 MERGMBQFYLSXKW-UHFFFAOYSA-N 331.799 4.095 0 40 EIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(-n2cccc2)c1 9897617 MJFUXAIDIKMSPD-UHFFFAOYSA-N 345.402 4.078 0 40 EIAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)C(C)C)no2)cc1 12185470 YAEZXQFFHBKMFB-GOSISDBHSA-N 342.439 4.450 0 40 EIAB CCc1cccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 12534276 HRVDHPMUGRWOHC-NSHDSACASA-N 327.453 4.337 0 40 EIAB COc1ccc(OCc2cc(C(=O)NC3CCCCC3)c(C)o2)cc1 12818390 OCRLFBPYLCZYNK-UHFFFAOYSA-N 343.423 4.238 0 40 EIAB C[C@H](NC1CCCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 12864606 OTXVYYWGBQIITR-LBPRGKRZSA-N 328.378 4.345 0 40 EIAB Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 13266686 LMEFGFPIIFZANU-UHFFFAOYSA-N 341.480 4.252 0 40 EIAB COc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1Cl 13935156 HCJQMEPGBCBXOB-UHFFFAOYSA-N 341.263 4.489 0 40 EIAB c1cc2c(cc1CSc1nnc(NC3CCCCC3)s1)OCO2 14184952 OQXRLOXERJSXDX-UHFFFAOYSA-N 349.481 4.304 0 40 EIAB Fc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 17250297 GEEBAUNKNDWCIY-UHFFFAOYSA-N 327.810 4.230 0 40 EIAB NC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 19042270 ZFHCWNYKIUGBBU-UHFFFAOYSA-N 330.598 4.325 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccccc2Cl)c1 19934369 LJNKFJDSQZVAHE-OAHLLOKOSA-N 331.843 4.349 0 40 EIAB O=C(CSCc1cccc(Cl)c1)N1CCc2ccccc2C1 20238042 JMYIYBSXICQKNC-UHFFFAOYSA-N 331.868 4.158 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCCC1 20492476 QNMAREWOKQSCFI-QGZVFWFLSA-N 339.476 4.165 0 40 EIAB C[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2Cl)no1 20888840 RDCKNFCWQHHHDW-SNVBAGLBSA-N 345.761 4.020 0 40 EIAB O=C(OCc1ncc(-c2ccccc2)o1)c1cc(Cl)ccc1O 22569476 OCVBNEYARBPURI-UHFFFAOYSA-N 329.739 4.058 0 40 EIAB COc1cc(CN[C@@H](C)c2ccccc2Cl)cc(OC)c1OC 22781128 MPACXDOWWOTFBM-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 24701858 INWGPHAHSFGBRY-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc2ccccc2s1 25173199 CTYPWRCJKBETCZ-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCC3CCC3)cccc2c1=O 26136706 JUGIVGLFTOKUAF-UHFFFAOYSA-N 347.414 4.298 0 40 EIAB Cc1ccsc1C(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C 27922381 VKLMCCFYFRWMAP-UHFFFAOYSA-N 343.427 4.310 0 40 EIAB COc1cccc(Cn2cc(NC(=O)CCC3CCCCC3)cn2)c1 28220784 RNVRHGGLRSFKLD-UHFFFAOYSA-N 341.455 4.239 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(Cl)cc1 30754009 JQVHUZFCCMTKMK-SFHVURJKSA-N 331.843 4.464 0 40 EIAB CC(C)C(=O)Nc1nc(-c2ccc(C(C)C)cc2)c(CC(=O)O)s1 31976132 LNVIJSBDWMTHGK-UHFFFAOYSA-N 346.452 4.155 0 40 EIAB Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)n1 32769368 MVFBJEGDUKJHSV-UHFFFAOYSA-N 348.450 4.185 0 40 EIAB Cc1ccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c(C)c1 32911570 NWVKLLLPPREJGT-UHFFFAOYSA-N 347.462 4.160 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccccc1Sc1ccccc1 36612988 MZOGGJRUPLRDAB-SLDRDFCHSA-N 347.439 4.149 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCC[C@H](C(F)(F)F)C2)o1 42959965 UXGCFCGUDFTRPG-STQMWFEESA-N 327.350 4.189 0 40 EIAB CCc1nc(-n2cccc2)sc1C(=O)NCc1cccc(Cl)c1 49006252 JMRTVOXORVIBRW-UHFFFAOYSA-N 345.855 4.080 0 40 EIAB COc1ccc2[nH]c([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)nc2c1 49169096 HXSMLQLGFTUNJW-AWEZNQCLSA-N 346.434 4.042 0 40 EIAB biogenic,in-vitro Cc1oc(-c2cccs2)nc1CN1CCN(c2ccccc2)CC1 57406580 RSFYRTRXOYILGW-UHFFFAOYSA-N 339.464 4.034 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H]2c2cccs2)c1C 58161265 XIIZHANUUHWHCE-UKRRQHHQSA-N 344.480 4.304 0 40 EIAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cc(C)ccc1C 58165885 ZEVILIYKLAZPHN-AWEZNQCLSA-N 343.448 4.209 0 40 EIAB CCCn1c(SCc2ccccc2F)nc2ccccc2c1=O 59094194 GITNXIAETGLAQW-UHFFFAOYSA-N 328.412 4.238 0 40 EIAB O=C(NCCc1cc(F)cc(F)c1)c1ccc(F)c(C(F)(F)F)c1 60310050 BYDQENHVHUMRSY-UHFFFAOYSA-N 347.258 4.095 0 40 EIAB COc1cc(NC(=O)N(C)C2CCCCCCC2)ccc1NC(C)=O 65593456 AVWGCVWLQOJJPI-UHFFFAOYSA-N 347.459 4.230 0 40 EIAB Cc1noc(C)c1CNc1ccccc1NC(=O)c1cccs1 65623291 YPNVKMMINAHONN-UHFFFAOYSA-N 327.409 4.217 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CC3C[C@H]4CC2C[C@@H](C3)C4)c(Cl)c1 65968503 MTCUAMKQBMGJIZ-RYTJFDOTSA-N 346.902 4.406 0 40 EIAB CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 69525383 DZKMWGBPMWEKGF-UHFFFAOYSA-N 339.826 4.002 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(Br)c1 71283896 GKYTXZFDGTWUIM-GFCCVEGCSA-N 334.217 4.350 0 40 EIAB CCc1noc([C@H](C)SCc2cc(Cl)cc3c2OCOC3)n1 76322683 CGWFBLNTEGIZCW-VIFPVBQESA-N 340.832 4.146 0 40 EIAB Cc1cn(-c2ccccc2)nc1NC(=O)C1(c2cccc(F)c2)CCC1 78549801 DIPWWSVHBHOKCT-UHFFFAOYSA-N 349.409 4.380 0 40 EIAB CN(C)Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 89694768 CRYMFKFVQDLRAJ-UHFFFAOYSA-N 326.440 4.004 0 40 EIAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCCc2ccccc21 89894191 MCOOMDYSXOTRCU-MLGOLLRUSA-N 325.374 4.296 0 40 EIAB O=C(CSc1ccccc1)NCC1(c2ccncc2)CCCCC1 96011846 LIHXGIBIQQREBU-UHFFFAOYSA-N 340.492 4.192 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccccc21 96221721 OWYVBUFYHFAHIO-HXUWFJFHSA-N 343.430 4.386 0 40 EIAB biogenic CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 96586400 QSAHMDKMKDSTSN-HNNXBMFYSA-N 339.435 4.370 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 100052006 IVFFJUAKHSVYDY-QLJPJBMISA-N 326.223 4.309 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 102375716 IPYLRZNOWBRKOU-FDYHWXHSSA-N 337.261 4.395 0 40 EIAB O=C(Nc1ccccc1)c1ccc(COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104890013 YHPDSHKICCPXFH-QRFRQXIXSA-N 349.430 4.418 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 222949243 VFFURHVJFCNKBN-HNNXBMFYSA-N 337.419 4.174 0 40 EIAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccn1 223912664 LNFNVIVWRWZNDQ-UHFFFAOYSA-N 343.839 4.482 0 40 EIAB CSc1nnc(NC(=O)CCc2c(Cl)cccc2Cl)s1 225365065 XJQPYQQCHRUZIE-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB CC[C@H](C)Oc1c(I)ccc2cccnc12 225391643 JKJFSBRLODQPAX-VIFPVBQESA-N 327.165 4.017 0 40 EIAB O=C(Cc1ccccc1F)NCCSCc1ccc(Cl)cc1 225444609 ZOYWISHPFBXAMI-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB Cc1ncsc1C(=O)N(C)c1ccc(C(F)(F)F)cc1Cl 252511145 ZUYQZCTWFRKFEE-UHFFFAOYSA-N 334.750 4.400 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cn1 257238030 HJIHXHVCCZWLNX-SFHVURJKSA-N 345.446 4.033 0 40 EIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)[C@H]1CCc2ccccc2O1 390831700 UGMSRCBQEDNFAW-FUHWJXTLSA-N 347.524 4.293 0 40 EIAB CCc1ccc(CN[C@H](C)c2ccc(OCC3CC3)c(F)c2)cn1 512011275 YOWAPJJPNSARFQ-CQSZACIVSA-N 328.431 4.423 0 40 EIAB CCCOc1cncc(NC(=O)c2oc3ccc(F)cc3c2C)c1 1131400005 HQABQJRROWMQSH-UHFFFAOYSA-N 328.343 4.316 0 40 EIAB Cc1ccc(S[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 43118 ZEARPYKPHPYVAK-INIZCTEOSA-N 334.824 4.467 0 40 EIAB O=C(NC1C2CC3CC(C2)CC1C3)c1cc(F)c(F)cc1Cl 269571 KHDHCGVGXDFULD-UHFFFAOYSA-N 325.786 4.173 0 40 EIAB COc1ccc(OC)c([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1 309021 CYRIFYPZLCUVAU-QGZVFWFLSA-N 333.387 4.331 0 40 EIAB Fc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cc(Cl)cc23)cc1 340673 CILRKEOEVKPMFY-UHFFFAOYSA-N 348.168 4.257 0 40 EIAB Cc1sc(NC(=O)c2cccnc2Cl)nc1-c1ccccc1 368871 IXPICUFIBANRBQ-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CC(C)c1nc(SCC(=O)N2CCCCCC2)c2ccccc2n1 1342967 ZQMMYWVGLRUWKT-UHFFFAOYSA-N 343.496 4.248 0 40 EIAB C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 1473414 KFETYTDHVXYSQF-WFASDCNBSA-N 340.250 4.084 0 40 EIAB CC(C)C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 2450098 IIVRUFAQERDHTG-JXOMPUQVSA-N 333.435 4.480 0 40 EIAB COc1ccccc1CNC(=O)c1cccc(Oc2ccccc2)c1 2645332 KQFYVQXPIVXRRX-UHFFFAOYSA-N 333.387 4.418 0 40 EIAB COc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1O 3262679 HDLVQBACBKNXGE-UHFFFAOYSA-N 327.163 4.065 0 40 EIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 3322995 JYJWICKUHNEEHT-UHFFFAOYSA-N 331.481 4.113 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)NCc1cccc(C(F)(F)F)c1 3422229 SPPRSGOGQJCEJE-UHFFFAOYSA-N 332.325 4.046 0 40 EIAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccco2)cc1 4690540 XDNDEQMLSPMJAE-HNNXBMFYSA-N 342.439 4.074 0 40 EIAB CNC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C)c1C 5144970 JCUNQGHOWZXLPX-UHFFFAOYSA-N 338.432 4.130 0 40 EIAB CCc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1 5269111 QCIVBXNXNYKWAW-UHFFFAOYSA-N 346.430 4.020 0 40 EIAB COc1cccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)c1 5627173 OSIVISAABJUPOU-CYBMUJFWSA-N 338.432 4.363 0 40 EIAB CCn1c(S[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6172472 ZWROHOHDLNHUKE-GFCCVEGCSA-N 328.412 4.409 0 40 EIAB CCc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 6415809 PXSHKJUCKYODKO-UHFFFAOYSA-N 329.343 4.069 0 40 EIAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(=O)c2ccccc2o1 6423365 FJMGSEKNGVKBDR-UHFFFAOYSA-N 349.169 4.457 0 40 EIAB CCN(C(=O)CSc1nc2ccccc2o1)c1ccc(F)cc1 7123195 AXPJKLRXNJVFLR-UHFFFAOYSA-N 330.384 4.112 0 40 EIAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 8011031 YKRQIZLPZAHLCC-UHFFFAOYSA-N 349.362 4.199 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1F 8241104 SLXZLAMGOGQRNM-GFCCVEGCSA-N 327.355 4.000 0 40 EIAB CCc1cccc2c(O)c(CN3CCc4ccccc4C3)c(C)nc12 8717568 UPUSOFJTQWKCSY-UHFFFAOYSA-N 332.447 4.370 0 40 EIAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)Nc2ccccc2)N1C 9515113 YHOSFZRLTVBOJA-CQSZACIVSA-N 337.448 4.351 0 40 EIAB O=C(CCn1ccc2ccccc21)N1CCc2[nH]c3ccccc3c2C1 9902281 IWAXCVGQKGSQEF-UHFFFAOYSA-N 343.430 4.098 0 40 EIAB biogenic C[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 10573096 OFGGPPSJVUVTSR-NKWVEPMBSA-N 343.271 4.229 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)C1 12562559 QGWSBWXVCRPTJL-HZPDHXFCSA-N 345.446 4.415 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)C1 12562562 QGWSBWXVCRPTJL-HOTGVXAUSA-N 345.446 4.415 0 40 EIAB Cc1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12799337 QKSZTJCAWQIGQV-UHFFFAOYSA-N 325.343 4.108 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Nc1ccc(C(C)=O)cc1 13685206 BAQJEWUWFZYGBK-UHFFFAOYSA-N 326.465 4.498 0 40 EIAB CN(C)CCCN(Cc1ccccn1)Cc1cccc2ccccc12 13990718 QKOVLBBQQSYJRQ-UHFFFAOYSA-N 333.479 4.189 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 15519700 KTMBZXGORUROAD-STQMWFEESA-N 333.428 4.192 0 40 EIAB CC(C)n1ncc2cc(NC(=O)CCc3c[nH]c4ccccc34)cnc21 16106533 AGGHMGRHPSUGNE-UHFFFAOYSA-N 347.422 4.065 0 40 EIAB CCCC(=O)Nc1c(C)cc(Br)cc1Br 16636989 HIYFZYOENDBJPQ-UHFFFAOYSA-N 335.039 4.259 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)c1 17450660 NZJVEHJJVPQCPL-AWEZNQCLSA-N 342.464 4.122 0 40 EIAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)NC1CCCCC1 20495189 RARGCORKOLVWJN-UHFFFAOYSA-N 332.835 4.039 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)c(C)c1)NCC2 20506983 NTXTUAGTHQGWIM-NRFANRHFSA-N 325.452 4.336 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1OC 22512602 WMFVXFNOQLGGHM-IBGZPJMESA-N 349.430 4.322 0 40 EIAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 24807894 ALAQHBOVNLNLBQ-VXGBXAGGSA-N 343.298 4.481 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 25074621 TUOGZOUXRCYNLR-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB Cc1n[nH]c(C)c1SCC(=O)Nc1cc(Cl)cc(Cl)c1 27756522 PPBVRJCKISQKRL-UHFFFAOYSA-N 330.240 4.064 0 40 EIAB C[C@H](NC(=O)CSc1ccccc1)c1ccc(-n2cccc2)cc1 28221058 WSHSZUQSGRXVJC-INIZCTEOSA-N 336.460 4.447 0 40 EIAB O=C1[C@H](c2ccccc2)N(Cc2ccco2)C(=S)N1c1ccccc1 28405656 VIIOMBBUQOIZNQ-SFHVURJKSA-N 348.427 4.155 0 40 EIAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1 41076924 HIDCGXPMBIOHNG-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(Cl)cc1 44885575 UIPYZCSNCRWMOA-KRWDZBQOSA-N 331.843 4.464 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)SCc1ccccc1 53167151 MNANVUIDQWNOLJ-HNNXBMFYSA-N 329.465 4.023 0 40 EIAB CCc1cc2c(CN(C)Cc3sccc3C)cc(=O)oc2cc1O 57802863 FFOOHUNCYRHYAO-UHFFFAOYSA-N 343.448 4.063 0 40 EIAB CCC[C@H](NC(=O)c1csnn1)c1ccc(Cl)c(Cl)c1 58295517 UOEWFDNXERSMRR-NSHDSACASA-N 330.240 4.116 0 40 EIAB Cc1ccc(-c2cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3n2)cc1 64670308 YCUSYLPWHCKNGL-UHFFFAOYSA-N 329.403 4.077 0 40 EIAB CCOC(=O)N(C)c1ccc(NC(=O)N(CC)[C@@H](C)C(C)C)cc1 65416493 ISKDQJXIFPWLGW-AWEZNQCLSA-N 335.448 4.178 0 40 EIAB CCOC(=O)c1ccc(OCc2ccccc2)c(Br)c1 66056738 JOWXCZQXYIVPRA-UHFFFAOYSA-N 335.197 4.205 0 40 EIAB COc1ccccc1-c1noc(CN[C@@H](C)c2ccc(Cl)cc2)n1 69563152 BTRDRSVZQFNKGK-LBPRGKRZSA-N 343.814 4.249 0 40 EIAB COc1cccc([C@@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)c1 71847863 LMACGEPLGQQIOT-KRWDZBQOSA-N 344.480 4.181 0 40 EIAB O=C(/C=C/c1ccc2c(c1)CCO2)OCc1coc(-c2ccccc2)n1 71889244 VRSCIRWCJZPROM-VQHVLOKHSA-N 347.370 4.033 0 40 EIAB O=C(Nc1cccc(C(F)F)c1)N[C@@H](CCCO)c1ccccc1 71921164 JWRZWMQCOWGZQI-INIZCTEOSA-N 334.366 4.260 0 40 EIAB CCc1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 72670752 PVDNCRYXAUTKIA-AWEZNQCLSA-N 329.440 4.126 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)Cc2ccsc2)s1 75606875 HVGCUVBPTOWEDC-CMPLNLGQSA-N 337.514 4.155 0 40 EIAB Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2s1 84290382 WCUGPPCVOCIWTJ-CQSZACIVSA-N 341.440 4.087 0 40 EIAB O=C(Nc1ccccc1CN1CCCC1)[C@H]1C[C@@H]1c1ccccc1F 84504686 UAJXKPUARLARNJ-MSOLQXFVSA-N 338.426 4.164 0 40 EIAB CC(=O)Nc1cc(NCc2cccc(-c3cccnc3)c2)ccc1F 89784947 AIGSRWXMGJOZAE-UHFFFAOYSA-N 335.382 4.458 0 40 EIAB C[C@@H](NCc1ccccc1OC1CCC1)c1ccc2c(c1)OCO2 90027985 WRRSPAGWCVJDFO-CQSZACIVSA-N 325.408 4.197 0 40 EIAB CCSc1cccc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 95399555 RKAREWBEUQJUQX-NSHDSACASA-N 333.457 4.156 0 40 EIAB CCSc1ccccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 95413273 HTQJEYYZOXTZIP-JSGCOSHPSA-N 334.441 4.025 0 40 EIAB CC(C)c1cc(CN[C@@H](C)c2ccc(F)cc2OC(F)F)on1 95422475 WVFITHAFPKHLKJ-JTQLQIEISA-N 328.334 4.389 0 40 EIAB Cc1ccc2c(c1)[C@@H](NCc1nccn1Cc1ccccc1)CCCO2 95423419 KACRKBWRFKVNKX-FQEVSTJZSA-N 347.462 4.243 0 40 EIAB Cc1noc(C)c1C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96118692 DGSRMLCKRMCTDX-HNNXBMFYSA-N 343.814 4.234 0 40 EIAB CCCNC(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 96154787 DCTQAXXTSQLDAQ-UHFFFAOYSA-N 336.439 4.058 0 40 EIAB C[C@@H](O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509777 QAVDENUSFIFMPD-SECBINFHSA-N 340.217 4.240 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C 96659455 FKWMSLZBCGAINI-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)OC2=O 100260701 XHDCTUOJVOKGGP-HOTGVXAUSA-N 342.222 4.054 0 40 EIAB Cc1cc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)no1 100970388 HZWGUUGBNTWNRZ-RKAKKKFESA-N 336.435 4.460 0 40 EIAB CCc1ccccc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O 102602071 ZCBHLUSOQLVXFZ-IPMKNSEASA-N 333.431 4.322 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1ccccc1C)C1=C(O)CCCC1=N2 102678652 POEWSOPRMBFHNW-INIZCTEOSA-N 340.452 4.370 0 40 EIAB Cc1ccc2c(CN[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2c1C 103253611 WDMNAJCSKSYSCM-DRMAHVMPSA-N 325.452 4.324 0 40 EIAB CCCCC[C@H](O)/C=C/C=C/C/C=C/C=C/[C@@H](O)CCCC(=O)O 116298385 UXGXCGPWGSUMNI-KFYCJCPXSA-N 336.472 4.158 0 40 EIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)Cc1cccs1 222958359 ZVXVBCPLFNFBSK-JTQLQIEISA-N 336.254 4.031 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 224219973 VRIAVZVKQIKNDZ-RBUKOAKNSA-N 348.475 4.204 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccccc1Cl 225580477 OBMONCKTGSDKHD-AWEZNQCLSA-N 339.936 4.281 0 40 EIAB Cc1cc(NC(=O)C(C)(C)Br)ccc1OC1CCCC1 225595488 CBDNNQFKHHSEED-UHFFFAOYSA-N 340.261 4.428 0 40 EIAB Cc1cc(C)c(C(=O)Nc2nnc(SCC(C)C)s2)cc1C 225653460 GZBLLCHNZGWAHE-UHFFFAOYSA-N 335.498 4.464 0 40 EIAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)nc2C)CCC[C@H](C)C1 225911014 NTYMPYFEHXZTJD-LIRRHRJNSA-N 334.460 4.103 0 40 EIAB Cc1ccc(CSCC(=O)NCCSCc2ccccc2)cc1 408872756 IFKFRMJHBSAFHC-UHFFFAOYSA-N 345.533 4.278 0 40 EIAB Cc1noc(C)c1CSc1ncnc2sc3c(c12)CCCC3 137086 BUWXFNBMFRJPFP-UHFFFAOYSA-N 331.466 4.467 0 40 EIAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 189066 BXDBQMKCMZBKFJ-KRWDZBQOSA-N 343.224 4.147 0 40 EIAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)nc2c1CCCC2 366578 KFLKNRKKTRJZPM-UHFFFAOYSA-N 347.871 4.048 0 40 EIAB CCC[C@H](C)NC(=O)c1cc(Br)ccc1Br 383795 KBNNMTPIIHXYSM-QMMMGPOBSA-N 349.066 4.130 0 40 EIAB COC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 410867 WFHNIXYLJIOPDF-UHFFFAOYSA-N 344.823 4.215 0 40 EIAB COc1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 426636 FXVUVCRBMHFXDD-LBPRGKRZSA-N 328.412 4.087 0 40 EIAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)c1cccc(Cl)c1 3454762 ZMPQCPOFNBYKQM-SECBINFHSA-N 334.784 4.347 0 40 EIAB O=C(CSc1cccc(C(F)(F)F)c1)NCc1ccccc1 3458854 ZRTRJXAYVPPVBD-UHFFFAOYSA-N 325.355 4.114 0 40 EIAB COc1ccc(Cl)c2sc(NC(=O)c3ccccc3F)nc12 5256605 CRMFNSMXPVYDDT-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)NC1CCCCCCCCCCC1 5374982 ABWCDIIQYWLBQU-MSOLQXFVSA-N 335.488 4.443 0 40 EIAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(Cl)c1 5505969 QRZKBKODCZQUID-LLVKDONJSA-N 343.839 4.403 0 40 EIAB Cc1ccc(-c2c(C)[n+]([O-])c(-c3ccc4ccccc4c3)n2O)cc1 5617866 ALNDNZVVDOAKFP-UHFFFAOYSA-N 330.387 4.463 0 40 EIAB C[C@@H](Sc1nc2ccccc2s1)c1nc2ccccc2c(=O)[nH]1 5629427 NEPOEZUOSSTEDE-SNVBAGLBSA-N 339.445 4.386 0 40 EIAB C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 6085469 IOZGJCNRWBZRIH-INIZCTEOSA-N 347.414 4.044 0 40 EIAB Cc1ccc(-c2cn3cc(-c4ccc5c(c4)OCO5)n(C)c3n2)cc1 6309410 LIQTUHYOLRBIPX-UHFFFAOYSA-N 331.375 4.044 0 40 EIAB CCCn1c(NC(=O)c2ccc(F)cc2Cl)nc2ccccc21 6516440 LPFGUURUQYJWDI-UHFFFAOYSA-N 331.778 4.491 0 40 EIAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2cccc(F)c12 7666829 ZTSOBAWLELLRNT-UHFFFAOYSA-N 329.352 4.330 0 40 EIAB CCCCn1nc(C)c(C(=O)Nc2cccc(C(C)=O)c2)c1Cl 8076703 OLHOMFJXYDNPEC-UHFFFAOYSA-N 333.819 4.100 0 40 EIAB COCc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 8131379 ZCYKCNYPAQOIHC-UHFFFAOYSA-N 339.391 4.127 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1ccnn1CC1CCCCC1 8750047 PPYVWCASTDQKAV-UHFFFAOYSA-N 349.837 4.437 0 40 EIAB Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 8751398 AJIANNHZBVADLJ-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB COC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 9609071 DEUXCQQGSRGQGB-UHFFFAOYSA-N 329.739 4.125 0 40 EIAB CCc1ccc(OCC(=O)N(C(C)C)C(C)C)c(Br)c1 9907329 SZUNUSWEKPLRKO-UHFFFAOYSA-N 342.277 4.036 0 40 EIAB CSc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1 12322271 TVOKYUWYPVOUHT-UHFFFAOYSA-N 334.404 4.306 0 40 EIAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cc2c(s1)CCC2 12876515 LTQIFVGICJPFPC-UHFFFAOYSA-N 327.327 4.388 0 40 EIAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)c(Cl)c1 12911667 IMAIIZSZNRSKTQ-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 13228414 PNDYPYPWXTWCTA-INIZCTEOSA-N 341.370 4.215 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccnn4C)cc3)sc2c1 13655301 OVKFBSDFDFCUOZ-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1F 14037536 FDPXQJCNHVVQLG-UHFFFAOYSA-N 343.210 4.259 0 40 EIAB COC(=O)c1c(C)cccc1NC(=O)c1ccccc1C(F)(F)F 14109008 SNMUSRZJCOGVRJ-UHFFFAOYSA-N 337.297 4.053 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCC2=O)cc1 14824684 LMFOPRTYDYTXAD-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CC[C@H]1c2ccsc2CCN1Cc1cc(C(C)=O)ccc1OC 15037425 RIJSKCDRZXILFA-KRWDZBQOSA-N 329.465 4.469 0 40 EIAB CCc1ccc([C@H]2SCC(=O)N2Cc2ccc(OC)cc2)cc1 19927155 WPJUZAACUWEKAF-LJQANCHMSA-N 327.449 4.032 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccccc1OC[C@@H]1CCCO1 21843775 KAHGUVWABDNEFK-INIZCTEOSA-N 348.402 4.045 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 22508620 ACYKYMFDYPFNRU-CABCVRRESA-N 329.465 4.443 0 40 EIAB CCOC(=O)c1c(C)[nH]c(-c2csc(Nc3ccccn3)n2)c1C 23625450 YMJBZVNFDZFPKB-UHFFFAOYSA-N 342.424 4.070 0 40 EIAB CCn1c(NC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc21 27923428 JGOUHIQVCUFBFD-UHFFFAOYSA-N 344.802 4.362 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 31057367 OYSJQQGIIRBNNH-UHFFFAOYSA-N 347.798 4.168 0 40 EIAB O=C(Cc1cn2ccccc2n1)N[C@@H](c1ccccc1)C1CCCCC1 32380068 ZLYHSARCFXQNAV-QFIPXVFZSA-N 347.462 4.315 0 40 EIAB Cc1cc(C(=O)NC2CCCCCCC2)c(C)n1Cc1ccccn1 32656469 NEGDPVSKPBSAMJ-UHFFFAOYSA-N 339.483 4.391 0 40 EIAB CCc1ccc([C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C(C)C)cc1 32741329 NILBIJARUBNSFX-FQEVSTJZSA-N 348.446 4.218 0 40 EIAB Cc1cc(C)c(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)c(C)c1 36635529 AHWOLOVKMHYKJK-INIZCTEOSA-N 342.826 4.009 0 40 EIAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(Cl)c1 40087138 AMGMZRPRDONDCO-UHFFFAOYSA-N 329.812 4.441 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1cc(F)ccc1-c1ccccc1 40140341 DIUGDYKBMBCGEA-UHFFFAOYSA-N 339.395 4.474 0 40 EIAB Brc1ccc(OC[C@H]2CCCNC2)c(-c2ccccc2)c1 42774904 GFDVZENRIRNCLX-AWEZNQCLSA-N 346.268 4.495 0 40 EIAB O=S(=O)(c1cccc2ccccc12)N1CC[C@H](c2ccccc2)C1 44225415 UPTJVNRIPJSAMS-SFHVURJKSA-N 337.444 4.018 0 40 EIAB CCc1ccc(NC(=O)NCc2ccc(Br)cc2)cc1 44845413 QUNXMGQIGIQIJD-UHFFFAOYSA-N 333.229 4.333 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C)c2)cc1OC 44900511 PDSMEXHNCSSFGW-ZDUSSCGKSA-N 331.437 4.132 0 40 EIAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 45869659 UAMMJQGZKIVPPQ-UXBLZVDNSA-N 332.783 4.114 0 40 EIAB CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1OCC 50078473 PTUDLLJZUYECME-CQSZACIVSA-N 325.408 4.075 0 40 EIAB COC(=O)c1cc(Nc2ccc(N(C)C)cc2)c2cc(C)ccc2n1 56984641 CXEGHWWCYVDSME-UHFFFAOYSA-N 335.407 4.139 0 40 EIAB CCCN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1 57176048 WLZJEFLXQKSLPZ-UHFFFAOYSA-N 339.366 4.161 0 40 EIAB Cc1c(O)ccc2c(CN3CCC[C@H]3c3ccccc3)cc(=O)oc12 57536126 ALNZQUPDMFFBHN-SFHVURJKSA-N 335.403 4.144 0 40 EIAB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/C=C/c1ccco1 63356192 QGKHIRYQKOOCJP-BJEOCPPSSA-N 325.246 4.318 0 40 EIAB CCOC(=O)NC1CCN([C@H](C)c2ccc3ccccc3c2)CC1 65534652 PFQBNIFDXZTVJV-OAHLLOKOSA-N 326.440 4.111 0 40 EIAB C[C@H](c1ccccn1)N(C(=O)c1cnc(-c2ccco2)s1)C1CC1 69529072 YBOQVCJSTHSCFN-GFCCVEGCSA-N 339.420 4.164 0 40 EIAB COc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1Br 70461471 LYIIBINCNFRHBL-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 71884577 PWIAJYBPEDUJFE-HZPDHXFCSA-N 331.847 4.476 0 40 EIAB C[C@H](c1cccnc1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 71909748 FSLSJLAWDQOZJI-CQSZACIVSA-N 344.842 4.308 0 40 EIAB Nc1nc(-c2cccc(Br)c2)cc(-c2cccs2)n1 71978037 QSCRCKDDPXWFGM-UHFFFAOYSA-N 332.226 4.217 0 40 EIAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1C(=O)c1ccccc1 72219228 GSXYYRNQCAEBBU-HXUWFJFHSA-N 349.478 4.358 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@](O)(c2c(Cl)cccc2Cl)C1 72233782 HYWCYTNRBLVHMJ-MRXNPFEDSA-N 346.254 4.212 0 40 EIAB C[C@@H]1Oc2c(C(=O)Nc3ccc(-n4ccnc4)cc3)cccc2[C@@H]1C 73751945 DWIZTOFITVJIHR-KGLIPLIRSA-N 333.391 4.009 0 40 EIAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC/C=C/c1ccccc1 79439955 UPYWPYCSSYXYAJ-FWVUHSSSSA-N 330.472 4.031 0 40 EIAB Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 85347581 FSZKIJQUGGKMFW-UHFFFAOYSA-N 336.247 4.454 0 40 EIAB Cc1c(-c2ccccc2)nc(SCc2ncoc2C(C)C)[nH]c1=O 95941632 RGGNELJXHDOLAR-UHFFFAOYSA-N 341.436 4.149 0 40 EIAB O=c1[nH]c2ccc(-c3csc(Nc4ccccc4F)n3)cc2o1 95947982 VJHFXLJGIZRWJD-UHFFFAOYSA-N 327.340 4.127 0 40 EIAB CCc1nn(-c2cccc(Cl)c2)c2nnc(-c3ccccc3)nc12 96316687 ZTEUGOQCYMCOPI-UHFFFAOYSA-N 335.798 4.093 0 40 EIAB CO[C@](C)(CNC(=O)/C=C/c1ccsc1)c1cccc(Cl)c1 96392700 CCMIFVKDQVQWKG-DKRLNXSXSA-N 335.856 4.093 0 40 EIAB O=C(CNc1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 96997199 KSRLBCSFZYPWNT-UHFFFAOYSA-N 342.442 4.350 0 40 EIAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1ccccc1 100142695 BTKMMJHOCAAXKY-WMZOPIPTSA-N 346.478 4.289 0 40 EIAB Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)s1 102159485 PBYPVETUPWMGKO-AEGPPILISA-N 338.469 4.217 0 40 EIAB FC(F)Sc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 102226315 PTCCYPOZTIQZLW-KWBADKCTSA-N 328.453 4.476 0 40 EIAB C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(F)c1 174024676 RVFIKDIZCBTWMC-OAHLLOKOSA-N 349.409 4.324 0 40 EIAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1c(F)cccc1F 206666718 UYHCKMUEMQFWKJ-UHFFFAOYSA-N 347.346 4.206 0 40 EIAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(Cl)cc1Cl 216954702 DHUINFCZYIRKCC-UHFFFAOYSA-N 334.202 4.437 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCSc2ccccc2)c1 223306067 NUVJLFRHLZVIMM-UHFFFAOYSA-N 343.492 4.406 0 40 EIAB Cc1nc(NC(=O)c2ccc(Oc3nccs3)cc2)sc1C 225636953 GJXDHDNTKCMJIO-UHFFFAOYSA-N 331.422 4.261 0 40 EIAB Cc1noc(C)c1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 272851756 OTDYHCUBBLTLRO-IBGZPJMESA-N 341.842 4.413 0 40 EIAB O=Cc1ccc2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1 575436883 UYHQXJSBQJBBLE-UHFFFAOYSA-N 330.792 4.139 0 40 EIAB Cc1cc(C)c(C(=O)N(C)Cc2cccc(O)c2)cc1Br 1566303276 GTMJXZFZLJVYCL-UHFFFAOYSA-N 348.240 4.044 0 40 EIAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(C)c(C)cc1C 522526 SSUJSWKOPXFZJO-UHFFFAOYSA-N 336.391 4.132 0 40 EIAB O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1c1ccccc1 573019 BLBJPEZAKINYOY-GHRIWEEISA-N 330.343 4.044 0 40 EIAB COc1cc2ncnc(Nc3cccc(Cl)c3C)c2cc1OC 1386793 ZHIWUZBOLSDWQZ-UHFFFAOYSA-N 329.787 4.352 0 40 EIAB C[C@@H](NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3269479 MMKXPHBFZIXHRC-CQSZACIVSA-N 340.492 4.350 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1Cn1nc2c(Cl)cc(Cl)cn2c1=S 3363028 HXBUDUIVMJPDTD-NXEZZACHSA-N 345.299 4.392 0 40 EIAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 4854178 MZWSPCBBVRCGSV-HXUWFJFHSA-N 331.419 4.434 0 40 EIAB O=C(OCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1O 5101755 RPHXAYAIUZRCHJ-UHFFFAOYSA-N 335.768 4.119 0 40 EIAB Fc1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 5478342 WNPGHHNLYRMPKD-UHFFFAOYSA-N 336.395 4.247 0 40 EIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnc(Cl)c(Cl)c1 5612659 DBMLDIZLBRIIHB-UHFFFAOYSA-N 339.266 4.335 0 40 EIAB O=C1Nc2ccccc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 5635316 BYDKQRGWKQKJBI-VXPUYCOJSA-N 337.382 4.474 0 40 EIAB CC(C)/N=C1\S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C(C)C 6324817 JLUHECKODWMVAU-CKVMPVPTSA-N 327.453 4.257 0 40 EIAB O=C(OCc1c(Cl)cccc1Cl)c1cc2ccccc2c(=O)[nH]1 6584365 CHLCLEMQVCGEGT-UHFFFAOYSA-N 348.185 4.192 0 40 EIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1cccs1 6945327 UQRRRONPUPQKPF-UHFFFAOYSA-N 341.432 4.068 0 40 EIAB O=C(NC1CC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 6988345 BCMXUECOCFLORS-MRXNPFEDSA-N 336.218 4.392 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccsc2)no1 7071751 WAFYECBJWGPXPB-UHFFFAOYSA-N 341.436 4.240 0 40 EIAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccccc1 7247211 JZLILNKCSFLDSF-UHFFFAOYSA-N 348.377 4.008 0 40 EIAB CSc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 8024126 UMQCVAQOGBZUEP-GFCCVEGCSA-N 333.840 4.252 0 40 EIAB CCCOc1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8717135 AKWZBVNLBKOERT-AWEZNQCLSA-N 328.456 4.270 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1ccc(CN2CCCCC2)cc1 8772608 DHUXWLQVLJYWAM-UHFFFAOYSA-N 342.870 4.256 0 40 EIAB COCCc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 9114783 HHHUDELLEKBEHS-UHFFFAOYSA-N 344.461 4.313 0 40 EIAB COc1cc(C(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OC 11163322 HPZUYXUJSFZYJS-UHFFFAOYSA-N 346.766 4.343 0 40 EIAB Cc1c(C(=O)Nc2cc(Cl)ccc2F)cnn1-c1ccccc1 13011588 KEQIBRZFGWUCBE-UHFFFAOYSA-N 329.762 4.226 0 40 EIAB Cc1ccc(N2NC3(CCC(C(C)(C)C)CC3)NC2=S)cc1C 13547498 CEQCXENVLHMYCE-UHFFFAOYSA-N 331.529 4.435 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)CCCOc1ccc(Cl)cc1 13670177 RDWVHWIGVJVHSF-AWEZNQCLSA-N 329.827 4.477 0 40 EIAB CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 13856230 CBZYFRWADHZTIY-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB Cc1ccc(C)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 14138778 SXHBGPYTOHTYQE-UHFFFAOYSA-N 349.434 4.300 0 40 EIAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1 14258087 USYQNQAOPNXVAQ-UHFFFAOYSA-N 348.431 4.297 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 16087211 MFZLJJAVCPERHJ-CYBMUJFWSA-N 329.396 4.018 0 40 EIAB CCc1ccc2occ(CC(=O)Nc3ccc(NC(C)=O)cc3)c2c1 16742646 DYXGVHDSEZODKA-UHFFFAOYSA-N 336.391 4.135 0 40 EIAB CCCn1c(=N)n(CCOc2ccc(Cl)cc2)c2ccccc21 19996241 VAOZPMIRGSLPLA-UHFFFAOYSA-N 329.831 4.065 0 40 EIAB COc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)c1 20671967 QAYYFWDIPBNSOA-CQSZACIVSA-N 347.418 4.390 0 40 EIAB CCCC1(CCC)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 20795120 OUHNQFZFXCGINC-UHFFFAOYSA-N 342.361 4.096 0 40 EIAB O=C(Nc1cccc2cccnc12)c1ccc(OC[C@H]2CCCO2)cc1 21551499 GBEGNLUCYLUEJV-GOSISDBHSA-N 348.402 4.045 0 40 EIAB COc1ccc(-n2ccnc2SCC(=O)c2ccc(C)s2)cc1 23138944 GTSGTGWRDHTWMZ-UHFFFAOYSA-N 344.461 4.226 0 40 EIAB Cc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)c1 28289401 CKGVAGLSZXKXKZ-FQEVSTJZSA-N 338.495 4.325 0 40 EIAB Cc1noc2ncc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc12 30894427 XNEQEEDEYOMPMW-UHFFFAOYSA-N 341.370 4.355 0 40 EIAB COc1ccc(C)cc1-c1csc(NC(=O)CC[C@H]2CCCO2)n1 31890100 VQEVRSZFYPCTJA-CYBMUJFWSA-N 346.452 4.025 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1cccc2cn[nH]c12 32397650 OEBCHWHUTOYRPE-QGZVFWFLSA-N 325.437 4.286 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2)cc1 36358470 LUANFHGHTWLMRG-INIZCTEOSA-N 337.354 4.144 0 40 EIAB CCCCCN(Cc1ccc(Cl)cc1)C(=O)Nc1nncs1 40095165 AJRZIQWVCZBBNS-UHFFFAOYSA-N 338.864 4.416 0 40 EIAB CC(C)[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nccn1C 40114428 XBKAQVVHCJKUIH-QGZVFWFLSA-N 345.512 4.268 0 40 EIAB Cc1nc2ccc(NC(=O)c3cc4sccc4n3C)cc2s1 40786180 IAJVWAJRGRTALB-UHFFFAOYSA-N 327.434 4.410 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)c(C)c1 44935057 QAMYOHLBSAIZEM-QGZVFWFLSA-N 347.462 4.348 0 40 EIAB CN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)C1CCCC1 53814196 BEPHZCINLPQJTQ-UHFFFAOYSA-N 339.464 4.026 0 40 EIAB O=C(c1ccc(F)cc1)c1ccc(OCc2nnsc2Cl)cc1 58076465 NIOFQJOXTWCWMT-UHFFFAOYSA-N 348.786 4.141 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cccc3)c2)cc1 58178011 GKQMLYVPVFWCRG-UHFFFAOYSA-N 332.403 4.387 0 40 EIAB CN(C(=O)c1c[nH]c2ncccc12)C1CCC(c2ccccc2)CC1 65785420 DRAADLRYRLPOAU-UHFFFAOYSA-N 333.435 4.361 0 40 EIAB COc1ccc(NC(=O)N2Cc3ccccc3C2)cc1Br 71902351 KTHUIZVGRCLYMY-UHFFFAOYSA-N 347.212 4.005 0 40 EIAB OC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](C(F)(F)F)SC1 79495250 MDCYRLZGWSSKCO-SNVBAGLBSA-N 335.351 4.032 0 40 EIAB COc1ccccc1NC(=O)NCc1sc(-c2ccco2)nc1C 90593432 BOYPSJAWEHTVEJ-UHFFFAOYSA-N 343.408 4.042 0 40 EIAB Fc1cccc(N2CCN(Cc3ccccc3)CC2)c1C(F)(F)F 95080916 XALZIKKTAFMVAW-UHFFFAOYSA-N 338.348 4.167 0 40 EIAB C[C@@H](C(=O)Nc1cccc(OCc2ccncc2)c1)c1cccs1 95399266 YJOISHOSJZFMOX-CQSZACIVSA-N 338.432 4.464 0 40 EIAB COC(=O)CC(C)(C)CC(=O)Nc1cccc(-c2nc(C)cs2)c1 95451509 VNNIZJONMAQOQY-UHFFFAOYSA-N 346.452 4.036 0 40 EIAB CCc1cc(=O)c2cc(NC(=O)[C@@H](CC)c3ccccc3)ccc2[nH]1 95465059 OIMKGYKPOXSZPP-KRWDZBQOSA-N 334.419 4.223 0 40 EIAB Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccsc4)C3)C2)o1 96046935 PZQPKGSIKJNPQD-IBGZPJMESA-N 330.497 4.138 0 40 EIAB Cc1nc(C)c(CNC(=O)Nc2cccc(COC(C)C)c2)s1 96434320 GGUGYMIQWGHHLP-UHFFFAOYSA-N 333.457 4.007 0 40 EIAB O=C(CCc1nc(-c2ccccc2)no1)N1[C@H]2CC[C@H]1c1ccccc12 101218286 ZKGQGNMUUHMWSC-ROUUACIJSA-N 345.402 4.088 0 40 EIAB Fc1cc(Br)ccc1NC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102386071 IXWVPOWWXUNOCG-JRKPZEMJSA-N 343.265 4.063 0 40 EIAB COc1cccc(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)c1 102696645 TXOWRJNJEODGHS-UHFFFAOYSA-N 331.375 4.086 0 40 EIAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccccc3F)C2=C(O)C1 102740908 JFSATGIQNCVJJM-CQSZACIVSA-N 328.347 4.080 0 40 EIAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)CCC2 223215363 MVVQVGZFVNOZDY-CQSZACIVSA-N 343.467 4.425 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccccc2Cl)cc1 223438226 AEBXRIPQZVQTIW-CQSZACIVSA-N 349.883 4.324 0 40 EIAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC3CCCCC3)cn2)C1 224038588 AZDGAYOUYNSMQD-HUUCEWRRSA-N 346.544 4.183 0 40 EIAB CCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1Cl 225095237 JOQUCLORCAHOFB-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB O=C(Cc1cccc(Cl)c1)Nc1nnc(-c2ccccc2)s1 225297750 JLUYZNCYUYTHGL-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB CCOc1ccc(NC(=S)NCCCc2cccc(C)c2)cc1 225391270 UGAIWGAPNJXUNW-UHFFFAOYSA-N 328.481 4.313 0 40 EIAB COc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 225582514 BGKZPFIJNSWUFZ-UHFFFAOYSA-N 339.819 4.360 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1C 225615044 RDJJCPRVEZTEKD-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB CCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2ccccc12 225836998 QPYCISWVOLXRGM-HXUWFJFHSA-N 327.424 4.382 0 40 EIAB C[C@@H](CN[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1nccs1 248742703 AIDCRVKUMDYKPU-KANFNMMFSA-N 341.524 4.032 0 40 EIAB CCc1ccc(NC(=S)NCCCN2CCCC[C@H]2CC)cc1 260732948 DHCBNSOECQPTEO-GOSISDBHSA-N 333.545 4.190 0 40 EIAB O=C(c1ccc2ccccc2c1)[C@@H](Br)CBr 382694505 KFIQRWIFOJSYLT-LBPRGKRZSA-N 342.030 4.181 0 40 EIAB C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc(-c2ccc(F)cc2)cs1 557737221 QMLQDWXMOAKBMF-CZUORRHYSA-N 331.460 4.012 0 40 EIAB O=C(Cc1ccc(C2CCCCC2)cc1)N1CCC[C@H]1c1ncon1 615123505 QPNZADPRFIENIK-SFHVURJKSA-N 339.439 4.024 0 40 EIAB C[C@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)C1 1127038191 POMCZMIVPKYVSF-NWDGAFQWSA-N 348.512 4.127 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)c1nn2c(-c3ccccc3)nnc2s1 385335 RICFPBBQPZDAAI-LLVKDONJSA-N 340.383 4.132 0 40 EIAB COc1cc(OC)c2c(c1)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C 491362 PEFHPBRNPWDAPU-NRFANRHFSA-N 337.419 4.233 0 40 EIAB biogenic COc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 1384035 NWKDRKIQGWRIPJ-UHFFFAOYSA-N 342.395 4.134 0 40 EIAB CCN(CC)C(=O)c1sc2nc(-c3ccccc3)ccc2c1N 1472212 JSDSEMOEGVFOTF-UHFFFAOYSA-N 325.437 4.028 0 40 EIAB Cn1c2ccccc2c2c3c(ccc21)C(=O)N(c1ccccc1)C3=O 1603904 WZIQEWYKYOCYRA-UHFFFAOYSA-N 326.355 4.132 0 40 EIAB CN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1F 3342584 GJLPEWBCAXHPGQ-UHFFFAOYSA-N 331.778 4.161 0 40 EIAB Fc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326728 BVXYOUOJQXYQDB-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB CCOc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 4387519 TVMZRBZLPSQZDJ-JLJGJNDSSA-N 341.388 4.475 0 40 EIAB Brc1ccc(N2N=N[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@H]3CCC[C@H]23)cc1 4900717 HUFCROBNEVDAJU-IATJYDTKSA-N 332.245 4.440 0 40 EIAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccc2Cl)cc1 4928709 FQGBSDWRYDGHIQ-SFHVURJKSA-N 337.810 4.430 0 40 EIAB Cc1noc(C)c1CSc1nnc(-c2c[nH]c3ccccc23)o1 4997093 OGIKYZFAJZRKRS-UHFFFAOYSA-N 326.381 4.115 0 40 EIAB CC(=O)OC[C@@]12CO[C@H](CCc3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 5369282 FVFIDPRIGRPKRH-PNBTUHDLSA-N 342.479 4.416 0 40 EIAB biogenic CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccc(C)cc1 5545814 JBDPFVDFISLLNK-INIZCTEOSA-N 335.451 4.370 0 40 EIAB Cc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C 5588094 NUGAYIMUBCLHFL-UHFFFAOYSA-N 338.415 4.118 0 40 EIAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)S[C@@H](C)C(=O)N2 6678502 SAIHZMXPSXOMTJ-MADCSZMMSA-N 342.251 4.188 0 40 EIAB Cc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C 7053032 FHLANERCPZPCHQ-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1 8706076 MKCDRWZDGNQFKA-CQSZACIVSA-N 341.436 4.063 0 40 EIAB COc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1OC 8708491 RMUBPHFOHKOBHS-UHFFFAOYSA-N 336.391 4.055 0 40 EIAB Cc1nc2ccc(Br)cc2c(O)c1CN1CCCCCC1 8714155 WVFDRULNHMMDDJ-UHFFFAOYSA-N 349.272 4.387 0 40 EIAB CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2Oc2ccccc21 9827817 YYYRXTTZKFHQLP-UHFFFAOYSA-N 344.370 4.321 0 40 EIAB CCc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9902171 QNGBIEIZEXHOFZ-VAWYXSNFSA-N 330.431 4.328 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(C(F)(F)F)cc1 10409770 BTOCKTQLAUNYMH-UHFFFAOYSA-N 337.297 4.005 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(Cc2cccs2)o1 11694646 AUSCEUIAFLVNHY-BQYQJAHWSA-N 345.811 4.027 0 40 EIAB Cc1ccccc1COc1ccc(/C=C/C(=O)O)cc1Br 11799825 RXLPDEMTFVNXRQ-VQHVLOKHSA-N 347.208 4.434 0 40 EIAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2OC)c1 14258449 BPFHCEDCXVPJJU-UHFFFAOYSA-N 340.423 4.385 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc(C)c1Cl 14397503 NIJCVLBEVMZIRD-LBPRGKRZSA-N 347.798 4.092 0 40 EIAB Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14400748 RHACALUFEKZJOR-INIZCTEOSA-N 325.452 4.376 0 40 EIAB C[C@H](NC(=O)C[C@H](C)n1cccn1)c1cc2cc(Cl)ccc2o1 19455394 QBEHBQVVUACXTD-RYUDHWBXSA-N 331.803 4.111 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)CCc1ccccc1 20043371 HJUZHVYGXNZSQD-MJGOQNOKSA-N 325.452 4.290 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 20489362 VNPNSRGVZBQPAY-QGZVFWFLSA-N 349.386 4.365 0 40 EIAB Cc1ccc(-c2ccnc(Nc3nc(C)c4ccccc4n3)n2)cc1 21005847 LLSSSIORPPUHDK-UHFFFAOYSA-N 327.391 4.447 0 40 EIAB CCc1cc(Br)cc2cc([C@H](O)CNC(C)(C)C)oc12 22053009 MXKMWLFIQAWNMD-CYBMUJFWSA-N 340.261 4.179 0 40 EIAB in-vitro Cc1noc(C)c1COC(=O)/C=C/c1ccc(-c2ccccc2F)o1 24521600 PIRDOCDHZDYSEE-CSKARUKUSA-N 341.338 4.447 0 40 EIAB CC(C)n1ncc2c(C(=O)NCC3CCC3)cc(-c3ccccc3)nc21 26141177 JVQVMEPUXWKBCX-UHFFFAOYSA-N 348.450 4.209 0 40 EIAB O=S(=O)(NCc1cccs1)c1ccc(Cl)c2ccccc12 28295930 NGNVVVCTKMMMRK-UHFFFAOYSA-N 337.853 4.033 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(C(C)C)cc1 30855176 LHBAWSSLNQTXCY-KRWDZBQOSA-N 339.479 4.499 0 40 EIAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)s1 32593510 SUGDWDNHSAKBJF-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB CC(=O)Nc1ccc(OC(=O)c2ccc3c4c(cccc24)CC3)cc1 32847804 ODSDHVWLCNVGAP-UHFFFAOYSA-N 331.371 4.116 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 33018869 COCDXTNRCHSZRS-UHFFFAOYSA-N 339.479 4.351 0 40 EIAB COc1ccc(-c2nnsc2C(=O)NC2CCCCCCC2)cc1 36359238 VISDASSFOYWGCL-UHFFFAOYSA-N 345.468 4.056 0 40 EIAB CC1(C)CC(N(Cc2ccncc2)Cc2ccsc2)CC(C)(C)N1 36740549 HPHTWMLTHKHJOM-UHFFFAOYSA-N 343.540 4.455 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCC(=O)c1ccccc1 40017186 VXCHDJCHBVVFJJ-UHFFFAOYSA-N 347.418 4.091 0 40 EIAB Cc1ccc2c(ccn2CCC(=O)Nc2cc(F)c(F)c(F)c2)c1 44900853 OIICCBGWTFWNJV-UHFFFAOYSA-N 332.325 4.396 0 40 EIAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(C(C)C)cc1 45890965 AWZJWBCRJLRNCP-UHFFFAOYSA-N 341.480 4.335 0 40 EIAB C[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1Cl 48355089 SIJMDRHNXFIEQV-CYBMUJFWSA-N 327.815 4.165 0 40 EIAB CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cn1 65488706 HYSRIEIMEPHPIS-QGZVFWFLSA-N 338.455 4.013 0 40 EIAB CCCC[C@H](Sc1nccn1-c1ccccc1C(C)C)C(N)=O 65591325 OHZIUVKYQFFLDR-INIZCTEOSA-N 331.485 4.132 0 40 EIAB Cc1cc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)c(C)o1 67083868 HRCANDVNEBHUIN-SNVBAGLBSA-N 326.318 4.110 0 40 EIAB Cc1cc(C)cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1 71845374 HVRRRZXRYKDHCS-NRFANRHFSA-N 343.430 4.465 0 40 EIAB C[C@@H](Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 76316493 WHMBRLRRYWDUCD-BEFAXECRSA-N 339.439 4.160 0 40 EIAB Cc1c(C2CC2)n[nH]c1NC(=O)c1cccc(Oc2nccs2)c1 76589915 QZTKOBXXBNDUDU-UHFFFAOYSA-N 340.408 4.097 0 40 EIAB C[S@](=O)c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 85298489 OUHROZZAPCETEG-WIOPSUGQSA-N 349.499 4.498 0 40 EIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H]1CC=CCC1 85470993 VQFCRGHUXVCLIC-ZDUSSCGKSA-N 330.428 4.230 0 40 EIAB C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1cnc2ccsc2c1 90541216 JYHJNCFERKXGDJ-DXCKQFNASA-N 334.510 4.002 0 40 EIAB Cc1ccsc1[C@@H](C)N[C@@H](c1ccc(F)cc1)c1nccn1C 95419867 UQPFMVJBRHQYJZ-CJNGLKHVSA-N 329.444 4.369 0 40 EIAB O=C(Nc1cccc(NCc2cccc3cn[nH]c23)c1)c1cccs1 95428532 YLHOVNYAOVTVAB-UHFFFAOYSA-N 348.431 4.489 0 40 EIAB C[C@H](C1CC1)N(C(=O)N[C@H](c1ccccc1)c1cccnc1)C1CC1 96444023 NPXWSDFLSQJOKD-FOIQADDNSA-N 335.451 4.144 0 40 EIAB CC(C)c1nnc(CCC(=O)N2CCC[C@@H](C)c3ccccc32)o1 97374365 SIRXZBRCZNXIDT-CQSZACIVSA-N 327.428 4.056 0 40 EIAB CC[C@H](C(=O)N1[C@@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1ccccc1 101328597 CIFIUKWHRADVGO-VSKRKVRLSA-N 348.490 4.056 0 40 EIAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc32)cc1 140051581 KDSSEBLOISMXHT-UIFIKXQLSA-N 346.474 4.168 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cn2ccnc2)cc1 152118840 XIZPBVIJTKQLJC-QFIPXVFZSA-N 347.462 4.107 0 40 EIAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3F)cc2)n1 170583791 DGTCUTRVXXYNPU-UHFFFAOYSA-N 336.370 4.228 0 40 EIAB CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 216443379 AXYZCHPZFSXCRQ-KRWDZBQOSA-N 337.872 4.406 0 40 EIAB COC(=O)c1cn(C(=O)[C@H](C)Sc2ccccc2)c2ccccc12 222570832 HOCVFAUDCGPFQW-ZDUSSCGKSA-N 339.416 4.249 0 40 EIAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223451840 JGSPTVZMEOISSI-KRWDZBQOSA-N 325.452 4.430 0 40 EIAB COc1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225846546 OIIGAGAMYMAUSV-UHFFFAOYSA-N 326.465 4.451 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 243758556 QAKNENDGDCXUKE-ATVPRXPUSA-N 341.480 4.068 0 40 EIAB c1csc(CN2C[C@@H]3C[C@@H](c4cccs4)N4CCC[C@@]34C2)c1 253588854 VZCGSGGZCDERBK-QILLFSRXSA-N 330.522 4.221 0 40 EIAB CC1(c2ncc(Cc3ccccc3)o2)CCN(c2ccccn2)CC1 257340879 ZHXCHIQZGDUATA-UHFFFAOYSA-N 333.435 4.219 0 40 EIAB CCCCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408624963 WGLLCCOZALQFDT-UHFFFAOYSA-N 334.419 4.095 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c(C)c1 408677436 CTJOJBMOGPIWEM-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB Cc1cccc(C[C@H](CO)NCc2cnc(C3CCCCC3)s2)c1 526962900 SJSDUPOSYRXYIX-GOSISDBHSA-N 344.524 4.192 0 40 EIAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)c(C)o1 1775978374 QXKZSHYDELYHQG-QGZVFWFLSA-N 341.432 4.088 0 40 EIAB CCSc1nnc(COc2ccc(C)cc2)n1Cc1ccccc1 421439 OPQLWFKQUGODFD-UHFFFAOYSA-N 339.464 4.326 0 40 EIAB CC(C)CCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1321105 KACTZCFJZUDBMJ-GFCCVEGCSA-N 333.501 4.050 0 40 EIAB Clc1cccc(Cn2nnnc2-c2cc(Cl)cc(Cl)c2)c1 1405263 IFWCHIZTKIVEQN-UHFFFAOYSA-N 339.613 4.349 0 40 EIAB O=C1C=C(c2ccc(Cl)cc2)OC2(O1)C1CC3CC(C1)CC2C3 1410106 KTZJKRXBDOJDLY-UHFFFAOYSA-N 330.811 4.407 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(Cl)cc1 1749820 OYTZPZBSMAKPAZ-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB CSc1ccccc1C(=O)c1cccc(CN2CCSCC2)c1 2515280 UFTCKEAEUOPAEW-UHFFFAOYSA-N 343.517 4.188 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(C(=O)O)c2)cc(C)c1Cl 2761524 RAPHCBHSLCBXRK-LBPRGKRZSA-N 347.798 4.061 0 40 EIAB CCCNC(=O)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764152 IGCHEKBYQJDGIF-CRAIPNDOSA-N 327.472 4.315 0 40 EIAB Cn1c(CNc2cccc(Cl)c2)nnc1SCc1ccccc1 4130254 ITRCXCIZJJAPST-UHFFFAOYSA-N 344.871 4.373 0 40 EIAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1OC 5169338 ZWRAUHXFCNJXQA-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB Cc1ccc(C)c(OCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 6336877 UGUZWODFLQBSAF-UHFFFAOYSA-N 327.468 4.157 0 40 EIAB O=C(c1ccccc1F)N1CCc2nc(-c3ccccc3)sc2C1 6669824 FTBDTRSGLLATCO-UHFFFAOYSA-N 338.407 4.148 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C)cc1 6752914 CPVCTGBFTQTBMM-FQEVSTJZSA-N 347.418 4.046 0 40 EIAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 7380678 JJMNDVAKSFYMPD-LBPRGKRZSA-N 337.250 4.452 0 40 EIAB O=C(CNc1ccc(Br)cc1)Nc1ccc(Cl)cc1 7953161 MQDPKPPGIFCABD-UHFFFAOYSA-N 339.620 4.153 0 40 EIAB CSCc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 7990668 MDIYNZIRNFJNEW-UHFFFAOYSA-N 337.448 4.047 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c1 9155370 IGTUOVDIWURAHS-LLVKDONJSA-N 335.762 4.088 0 40 EIAB Cc1cccc(NC(=O)CCCc2nc(-c3ccccc3)no2)c1C 9196515 CTVRIDGFSVQGFY-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc2ncccc12 9322925 DHOOJKABCNAQCS-UHFFFAOYSA-N 344.336 4.226 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1C 10544575 OJLRCVWLIGGBSG-QGZVFWFLSA-N 333.435 4.200 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccc(-n2cnc3ccccc32)cc1 11273787 QLDVZCMVNMFLAL-UHFFFAOYSA-N 345.377 4.346 0 40 EIAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCCC4)cc3)cc12 12088259 AUPNUUXFCLNDFL-UHFFFAOYSA-N 347.462 4.357 0 40 EIAB O=C(NCCSc1ccccc1)c1ccccc1C(F)(F)F 12987126 YQRMNGKMQXFMIM-UHFFFAOYSA-N 325.355 4.228 0 40 EIAB COC(=O)c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1 12999096 ISNFTDLLZOZNFZ-UHFFFAOYSA-N 343.766 4.361 0 40 EIAB COc1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 13972047 KFYWBWVMIWPXNX-UHFFFAOYSA-N 331.415 4.437 0 40 EIAB Cn1ccnc1-c1nc(NC2CCCC2)ncc1-c1cccc(F)c1 19291612 WNSCRDPULCEABC-UHFFFAOYSA-N 337.402 4.038 0 40 EIAB C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2cccc3ccccc23)CC1 19851003 NWDHOEOULGWUOX-KAGYGMCKSA-N 332.491 4.170 0 40 EIAB COc1ccc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 19872957 YLGIZCPEVQJTLJ-UHFFFAOYSA-N 340.329 4.288 0 40 EIAB COc1cccc(OC)c1/C=C/C(=O)N[C@@H](C)c1ccc(Cl)cc1 20030233 INSIOBPUNUCROF-YLSINNKHSA-N 345.826 4.248 0 40 EIAB COc1ccc(/N=c2\cc(C(=O)O)[nH]c3ccc(C)cc23)cc1Cl 21657787 QYYXWEUMHDPGID-UHFFFAOYSA-N 342.782 4.069 0 40 EIAB COc1ccccc1CN(C)C(=O)c1csc(-c2cccs2)n1 21922887 XOJQMFOXQIJBMR-UHFFFAOYSA-N 344.461 4.152 0 40 EIAB CCOC(=O)c1c(C)[nH]c(-c2csc(NCc3ccco3)n2)c1C 24033898 JBWYINBQTFFRHB-UHFFFAOYSA-N 345.424 4.137 0 40 EIAB CC(C)CC(=O)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1 24760004 ZOBFIJHTUIXBKW-UHFFFAOYSA-N 332.350 4.202 0 40 EIAB CCn1c(C)cc(C(=O)N(C)Cc2nc3ccccc3s2)c1C 27135602 VNWNNTHQQQLPOV-UHFFFAOYSA-N 327.453 4.007 0 40 EIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccs1 27922290 ZLBMGTZTQJODIN-UHFFFAOYSA-N 329.400 4.001 0 40 EIAB COc1ccc(OC)c(CN[C@@H](C)c2cc3cccc(OC)c3o2)c1 28925820 WNZNNQXYLMBCFI-ZDUSSCGKSA-N 341.407 4.309 0 40 EIAB COc1cccc(CN[C@H](C)c2cc3cccc(OC)c3o2)c1OC 28925823 VFSIIEFYLQQYMX-CYBMUJFWSA-N 341.407 4.309 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1Cl 30758016 OHNMSBIWPUFCRJ-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30944054 SKPBXDUMWUFGHC-GOSISDBHSA-N 346.490 4.267 0 40 EIAB Cc1cc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1C1CCCCC1 36697202 ZBOZLVMNOFPWJA-XXRWXEQKSA-N 344.499 4.259 0 40 EIAB CCN(CC)Cc1cccc(NC(=O)CCOc2ccc(F)cc2)c1 40086913 JDZFBUQRFZOWGW-UHFFFAOYSA-N 344.430 4.075 0 40 EIAB CCCCc1oc2ccccc2c1CN(C)C(=O)Nc1nncs1 40095160 PAZFKVSBHFQYLR-UHFFFAOYSA-N 344.440 4.291 0 40 EIAB CCC(C)(C)c1ccc(O[C@H]2CCCNC2)c(Br)c1 42775251 QYWVWLFQWAKBIJ-ZDUSSCGKSA-N 326.278 4.268 0 40 EIAB CCN(Cc1ccco1)C(=O)c1cc2cc(Br)ccc2[nH]1 45380935 IVDDWLPCTCJLBB-UHFFFAOYSA-N 347.212 4.186 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)C1(c2ccc(Cl)cc2)CCCC1 47643452 MGVPAOKCPNVZPM-UHFFFAOYSA-N 346.858 4.415 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCC(C)C)c2)cc1 48367978 QGYMEKOUYPQKKI-UHFFFAOYSA-N 338.451 4.300 0 40 EIAB COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccccc1 49546952 KVWYQQULIGCKPG-INIZCTEOSA-N 333.391 4.064 0 40 EIAB Cc1sc2ncnc(SCCC(=O)NC3CCCCC3)c2c1C 49549922 VHMSJXXQRLTAFY-UHFFFAOYSA-N 349.525 4.239 0 40 EIAB O=C(Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1)c1ccco1 51181041 PMRXRVFXTNYROJ-UHFFFAOYSA-N 349.268 4.133 0 40 EIAB c1ccc(-c2cc(CSc3nnc(N4CCCC4)s3)no2)cc1 52912727 OVBVLAUSJDYHNS-UHFFFAOYSA-N 344.465 4.086 0 40 EIAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57503948 YCJRDYBPRZZQLJ-ACJLOTCBSA-N 328.843 4.011 0 40 EIAB CSc1sc(NC(=O)CCn2ccc3ccccc32)nc1C 58136873 JVBUEBXJHOCGPX-UHFFFAOYSA-N 331.466 4.157 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCC 59345138 KWUYZPFZLMKYQP-UHFFFAOYSA-N 342.464 4.191 0 40 EIAB CC[C@@H](NC(=O)N[C@@H]1CCCOc2ccccc21)c1nc(C)cs1 71856669 QWGLOHPAEDVGCE-HUUCEWRRSA-N 345.468 4.116 0 40 EIAB Clc1ccccc1C1(c2nnc(-c3ccccc3)o2)CCOCC1 71889755 IVJGFQRKIYKPFD-UHFFFAOYSA-N 340.810 4.487 0 40 EIAB Cc1cc(F)ccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1 72282509 ULMXRJPAHSIOPZ-UHFFFAOYSA-N 343.402 4.369 0 40 EIAB CN(C(=O)c1ccsc1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 75142246 IGNYJAWCQYWZJM-DFNIBXOVSA-N 340.492 4.016 0 40 EIAB O=C(NCCCc1ccccc1)N(CCc1cccs1)C1CC1 75154831 YTDXNGIYFAETEZ-UHFFFAOYSA-N 328.481 4.097 0 40 EIAB C[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@H]2CCCC[C@@H]21 75608929 CRJYPDURPPJCPH-RTXFEEFZSA-N 326.234 4.083 0 40 EIAB CC(=O)c1cn(CC(=O)Nc2c(C)cccc2Cl)c2ccccc12 85558627 GXXQYJBIIMFGLF-UHFFFAOYSA-N 340.810 4.444 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@H]1c1cccc(F)c1F 89768139 CSXSIZVRBJYVDK-VNQPRFMTSA-N 349.421 4.066 0 40 EIAB CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 95409994 IWMJYFIZEHOASA-RYUDHWBXSA-N 333.457 4.295 0 40 EIAB O=C(Nc1ccc(CN[C@@H]2CCc3ccccc32)cc1)c1cccnc1 95421423 JJFVOSFASUQMIQ-OAQYLSRUSA-N 343.430 4.111 0 40 EIAB C[C@H](NC1CCN(CCc2ccncc2)CC1)c1cc2ccccc2o1 95421525 JHBLWEWLTJIETO-KRWDZBQOSA-N 349.478 4.186 0 40 EIAB CCSc1cc(Cl)ccc1C(=O)N1CCC(n2cccn2)CC1 97141699 HSANPCXJKOIYJS-UHFFFAOYSA-N 349.887 4.126 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCc3ccccc3F)nnc12 100265510 WBAULZQHPJPEKM-KZULUSFZSA-N 329.444 4.478 0 40 EIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(NC(=O)c2ccccn2)cc1 100443553 LBHXSGVMJXHIEB-BZUAXINKSA-N 349.434 4.099 0 40 EIAB O=C1C=C/C(=N\Nc2ccc(Br)cc2)c2ccccc21 101075721 KGPPCCSUECSWJU-XDJHFCHBSA-N 327.181 4.018 0 40 EIAB Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)c(C)c1 101275626 GAOMXYWKPWITJP-MRXNPFEDSA-N 342.826 4.009 0 40 EIAB Cc1ccc(-n2c(C)c(C)c3c(=N)n(Cc4ccccc4)cnc32)cc1 101418766 WPFBZNZUDDWAHW-UHFFFAOYSA-N 342.446 4.280 0 40 EIAB C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)c1ccccc1 103928453 CGZUGJGJUVSIIS-XORNHQRDSA-N 349.474 4.189 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 113953973 FVKKDLAOUCTIAV-CQSZACIVSA-N 341.407 4.003 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(C)ccc2OC)cc1 222876531 ZMXPYNMDJAVUPQ-GOSISDBHSA-N 327.424 4.362 0 40 EIAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 222943548 NHZWNKVMOWCSRY-UHFFFAOYSA-N 343.810 4.187 0 40 EIAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)C1CCCCC1 222973743 MFDFHZSLLRVVFT-UHFFFAOYSA-N 345.874 4.387 0 40 EIAB Cc1ccc(C)c(C(=O)NCCCc2ccc(OC(C)C)cc2)c1 223236456 HOWGSPSCLMJORU-UHFFFAOYSA-N 325.452 4.453 0 40 EIAB Cc1ccc(NC(=S)NCCOc2ccccc2C(C)C)cc1 223836296 DMJCCMOMRUKWLD-UHFFFAOYSA-N 328.481 4.484 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 224776952 MNEZLAAKUJOBQN-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB Cc1ccc(CCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C 225185414 DEIRWBHROOEJHD-UHFFFAOYSA-N 347.462 4.047 0 40 EIAB Fc1cccc(F)c1NC(=S)NCCSC1CCCCC1 225358022 YKIHVGIFQJKXNH-UHFFFAOYSA-N 330.469 4.317 0 40 EIAB CCO[C@@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC[C@@H](C)C1 225718678 UYLMRQCPFLJETQ-PXAZEXFGSA-N 325.836 4.273 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cn1 225910020 NVTRKTHBSPSZGR-UHFFFAOYSA-N 334.460 4.329 0 40 EIAB CCOC1CC2(CCN(Cc3ccc(C(F)(F)F)cc3C)C2)C1 585084555 UZHICVGOWBZFIV-UHFFFAOYSA-N 327.390 4.405 0 40 EIAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Cc1cscn1 622777274 JXLMYBJEHPXWNE-CYBMUJFWSA-N 344.480 4.403 0 40 EIAB Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C 1621597915 ZLUYOFJDJHCOTL-UHFFFAOYSA-N 331.220 4.378 0 40 EIAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccccc1Cl 1775968757 USTCLZDLTXNHER-AWEZNQCLSA-N 347.823 4.125 0 40 EIAB CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(=O)O)c1 7562 ZEXGDYFACFXQPF-UHFFFAOYSA-N 327.277 4.176 0 40 EIAB in-man CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2 45194 UHZUTZAYEOUVEA-VAWYXSNFSA-N 341.432 4.065 0 40 EIAB COc1ccc2ccccc2c1/C=C1\N=C(c2ccccc2)OC1=O 178359 VIJONODJHDRQQT-AQTBWJFISA-N 329.355 4.193 0 40 EIAB CCOc1ccc(-c2nc(NC(=O)c3ccncc3)sc2C)cc1 233978 SWQGMJXDMRLRJJ-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 482653 TUDBVAPFVKUWAR-UHFFFAOYSA-N 338.234 4.421 0 40 EIAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Oc1ccccc1 547162 UFHWFMXXTMRVLQ-UHFFFAOYSA-N 344.754 4.219 0 40 EIAB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 577229 LKBSQKKUKVJKRE-UHFFFAOYSA-N 337.444 4.391 0 40 EIAB Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccc(F)cc3)cnn12 1386224 RXGWHWRZNGEZOH-UHFFFAOYSA-N 338.773 4.438 0 40 EIAB CCc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)OC)cc1 1397601 CWFFAHAOEXAHJR-QGZVFWFLSA-N 330.811 4.432 0 40 EIAB O=S1(=O)CC[C@@H](Sc2ccc(Cl)cc2)c2ccsc21 1398480 BNWFRHILKFJGNX-GFCCVEGCSA-N 330.883 4.412 0 40 EIAB CCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 1847626 OZGSVINLVCLKSN-UHFFFAOYSA-N 328.803 4.203 0 40 EIAB CCOc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1 3213934 VVISRYPDKTXOMY-UHFFFAOYSA-N 330.457 4.098 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(NC(C)=O)cc2)cc1 3447437 ZRYCTYBFDLDVQL-CQSZACIVSA-N 340.423 4.176 0 40 EIAB CCC(CC)c1nnc(NC(=O)CCc2ccc(OC)cc2)s1 3558547 XRUPHPAHILHJKP-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3cccs3)nc2C1 4167565 HRSZDVFSNITSBI-AATRIKPKSA-N 332.450 4.012 0 40 EIAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCCC[C@@H]2C)CCCC1 4169094 NMVJJEDURJILIY-ROUUACIJSA-N 340.511 4.064 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 4316360 IXXJTJGZDKGJOP-UHFFFAOYSA-N 339.174 4.026 0 40 EIAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Cl)cc1Cl 4588819 ZWEYIKLBKSEVFP-AUWJEWJLSA-N 336.149 4.477 0 40 EIAB Clc1ccc(CSc2nnc([C@@H]3CCCN3)o2)c(Cl)c1 5578061 OOFGOWHAAIJFTN-NSHDSACASA-N 330.240 4.093 0 40 EIAB C[C@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 6054666 ZIJWCRNUEBJMSQ-AWEZNQCLSA-N 328.481 4.294 0 40 EIAB in-vitro C=CCOc1ccc(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC 6323942 YEMYPWWTUJBUBA-FOWTUZBSSA-N 347.436 4.096 0 40 EIAB Cc1csc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)n1 6786148 NULAISVLZSCDJD-JTQLQIEISA-N 325.437 4.310 0 40 EIAB CCOc1ncccc1C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 6875872 ONBTZZAPJWXBTO-OAHLLOKOSA-N 326.440 4.170 0 40 EIAB CC(C)NC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 8938108 NUCYGFKLQVFLOA-UHFFFAOYSA-N 340.901 4.156 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 9141893 CNJNMWWRPWDVNS-UHFFFAOYSA-N 344.414 4.429 0 40 EIAB CC[C@H](Nc1ccc2c3c(cccc13)CC2)C(=O)Nc1cc(C)on1 9368917 ZMMCLHZGZJDQCE-INIZCTEOSA-N 335.407 4.064 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 10408309 YSBBRYMDUJNTCB-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccs1 10577852 YFUZEUSSJZAZDS-UHFFFAOYSA-N 329.450 4.210 0 40 EIAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccccc1Br 11201442 GHQIIAAQVBYANJ-MRXNPFEDSA-N 330.225 4.330 0 40 EIAB Cc1ccccc1-n1nc(C)c(CN(C)[C@H](C)Cc2ccccn2)c1C 12148181 RZXKASRTKVVAHW-QGZVFWFLSA-N 348.494 4.256 0 40 EIAB O=C(c1ccc(F)cc1)c1ccc(OCc2nccn2C(F)F)cc1 12549964 NINZKCBZJYYWDH-UHFFFAOYSA-N 346.308 4.227 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 12776568 ZBGXAWYNBOWDEP-UHFFFAOYSA-N 333.435 4.151 0 40 EIAB COc1ccc(OC)c(CCC(=O)Nc2cc(Cl)ccc2C)c1 12785309 ZNEAWTNQBIXDEG-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12793401 XODSNSAZLQNIBO-UFUQCMIWSA-N 349.430 4.143 0 40 EIAB O=C(COc1ccccc1Cl)NCc1ccc(C(F)(F)F)cc1 12849442 BILHOINMPUDZPI-UHFFFAOYSA-N 343.732 4.054 0 40 EIAB COc1cccc(Cc2cnc(NC(=O)C3CCCCC3)s2)c1 12876824 ZYZZRCWIZOLMOZ-UHFFFAOYSA-N 330.453 4.261 0 40 EIAB CSc1ncccc1C(=O)Nc1ccccc1SC(F)F 14109530 CJVNLGGHXRBDDG-UHFFFAOYSA-N 326.393 4.371 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)oc2ccc(F)cc12 14239685 GLIRPXRBFFKAHU-NSHDSACASA-N 341.338 4.100 0 40 EIAB COc1ccc2cc(C(=O)NCCCOC3CCCCC3)ccc2c1 14242229 ABKZMQMEUHKPLF-UHFFFAOYSA-N 341.451 4.318 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 14268938 PMJJWEXWTXRQBK-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB Cc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 15976908 TXUJHQVOBIZGBW-UHFFFAOYSA-N 337.341 4.017 0 40 EIAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 16087330 XNUAIJVDXHRNBB-HNNXBMFYSA-N 325.433 4.188 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 18150107 CQMRPWPUXXMTIA-CQSZACIVSA-N 349.883 4.157 0 40 EIAB CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(OC)cc1 20107174 FRECJLFGJVFTPL-SFHVURJKSA-N 329.465 4.363 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1OCC 20485695 KSIPWPABPZVNLR-UHFFFAOYSA-N 349.377 4.334 0 40 EIAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nc(-c2cccs2)no1 24250687 IBPVFFGRSKZYPW-JTQLQIEISA-N 335.379 4.269 0 40 EIAB Cc1c(C(=O)NCC2(N(C)C)CCCCCC2)oc2c(F)cccc12 25443532 HKOCVJVJBUDMOZ-UHFFFAOYSA-N 346.446 4.265 0 40 EIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccc(F)cc1 28229258 DSUHMWKZSCDIAK-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2n1 29795355 UQORTUMSRWVVSO-UHFFFAOYSA-N 346.308 4.063 0 40 EIAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccc(F)cc1F)n2C 35476054 DJOXAILXMCMZRV-UHFFFAOYSA-N 330.334 4.108 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)NCCC2=CCCCC2)CC1 39755771 IACPLNQFADUKFX-UHFFFAOYSA-N 340.511 4.214 0 40 EIAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@@H]1c1cccs1 40024684 YDZCAYSOUWCCEQ-IQIBNGDESA-N 325.433 4.060 0 40 EIAB CCCCCOc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 43209877 XVKMENOACLWXEK-UHFFFAOYSA-N 326.392 4.412 0 40 EIAB COCCOCc1cccc(NC(=O)N(C)[C@@H](C)c2cccs2)c1 47591014 LSZWNTMMHLBLPU-AWEZNQCLSA-N 348.468 4.136 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3ccn(C(C)C)n3)c2)cs1 49377852 VXTYNDJQWBNNTA-UHFFFAOYSA-N 326.425 4.148 0 40 EIAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1cccc(OCc2ccccn2)c1 55645328 VRRHRNTYPDYXHZ-SJORKVTESA-N 336.435 4.194 0 40 EIAB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCC2 56200278 YPWUHQMIKLGGPR-KRWDZBQOSA-N 349.474 4.101 0 40 EIAB COc1ccc2cc3c(nc2c1)O[C@H](C)CN(Cc1ccccc1)C3 57712450 AVBVHOVBQBIGDY-OAHLLOKOSA-N 334.419 4.027 0 40 EIAB Cc1ccc(-c2nc(CN3CCC(c4cc[nH]n4)CC3)co2)c(C)c1 58208463 CRJSOMKJWGNESX-UHFFFAOYSA-N 336.439 4.061 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccccn1 58308756 IXRMHCSRIDKMBI-NUJGCVRESA-N 326.827 4.202 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)C(C)(C)Oc1ccc(Cl)cc1 59344130 MEJUAQHHSHWFSX-CYBMUJFWSA-N 329.827 4.475 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1Cl 63021040 XBVRJERWTYKDQF-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB O=C(c1cccc(Br)c1)c1cnc2ccc(F)cc2c1O 67340943 XYOHXFXRZIMHBZ-UHFFFAOYSA-N 346.155 4.073 0 40 EIAB Cc1csc([C@H](C)NC(=O)Nc2ccc(OC(C)C)cc2C)n1 69652751 KIZYRPKVODMGQC-ZDUSSCGKSA-N 333.457 4.430 0 40 EIAB Cc1cc(CN(C)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)no1 69744904 RLCOJIOSHFZAOP-UHFFFAOYSA-N 342.399 4.086 0 40 EIAB Cc1nc(NC(=O)CCCc2nc3ccccc3s2)sc1C 71297149 TUFZQXKQBXOFMJ-UHFFFAOYSA-N 331.466 4.331 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1csc(C)n1 72271602 MCKSDBNGIKTBJZ-HZMBPMFUSA-N 335.498 4.293 0 40 EIAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCNC2)n1 72354414 ZIFNQLGQOFKWFN-INIZCTEOSA-N 334.385 4.467 0 40 EIAB CO[C@@H](C)c1nc(C[S@@](=O)Cc2cccc3ccccc23)cs1 78987572 JGAZZQMAERCXLH-ZAMGYDSWSA-N 345.489 4.453 0 40 EIAB Cc1ncc([C@H](C)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 97016664 LOSCESVVOJVBIJ-KPZWWZAWSA-N 347.409 4.423 0 40 EIAB Cc1cnc([C@H](C)CNC(=O)Nc2cccc(-c3ncco3)c2)s1 97113482 ICQXVHQCUFUDNL-LLVKDONJSA-N 342.424 4.032 0 40 EIAB O=C(Nc1ccc(F)cc1F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102968420 DQAUOLQQMACTQQ-QQJLWGBUSA-N 325.786 4.481 0 40 EIAB Brc1ccc(N2N=N[C@@H]3[C@@H]2[C@@H]2C[C@@H]3[C@H]3CCC[C@@H]32)cc1 104058820 HUFCROBNEVDAJU-DERJNBNXSA-N 332.245 4.440 0 40 EIAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1C 224101647 VHOLUJKOLVSMLU-UHFFFAOYSA-N 339.435 4.209 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 224239983 INPZZJNLXNOGDO-UHFFFAOYSA-N 330.431 4.470 0 40 EIAB NC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 225446942 CUYBRFKYWVUISG-UHFFFAOYSA-N 335.432 4.263 0 40 EIAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)c2cccnc12 225888738 DKJPOIRHIAEAKB-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cn1 225909503 AYGVQYCCBHPRRC-UHFFFAOYSA-N 334.460 4.329 0 40 EIAB FC(F)(F)C1CCN(c2ncc(Br)cc2Cl)CC1 236109176 GNVIPELWIGGUCL-UHFFFAOYSA-N 343.574 4.276 0 40 EIAB O=C(CCCCBr)c1sccc1Br 382695158 KKGAXRCPOXAFDZ-UHFFFAOYSA-N 326.053 4.259 0 40 EIAB CC1(C)C[C@@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)CCO1 502543604 AWOPQVPJRMTBDO-SFHVURJKSA-N 347.474 4.393 0 40 EIAB Cc1nc(C2(NC(=O)C[C@H](C)C3CCCCC3)CCCCC2)no1 508800904 LXBHQSHZALTCOU-AWEZNQCLSA-N 333.476 4.260 0 40 EIAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C(C)C 410496 XNYFXTSYBVHWRK-UHFFFAOYSA-N 346.500 4.159 0 40 EIAB COc1cccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)c1 423691 UHTVVGUUCIQUDP-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CCCO3)c2c1 547613 DYAWXBSPKHQLMT-QGZVFWFLSA-N 346.430 4.119 0 40 EIAB O=C(O)[C@H](c1ccc(Cl)cc1)[C@H](C(=O)O)c1ccc(Cl)cc1 1668805 BVOHKJFRQYBQQY-ZIAGYGMSSA-N 339.174 4.030 0 40 EIAB CCOc1ccccc1NC(=O)CCCOc1ccc(C)cc1C 1913911 RLQILGSCEFSZOM-UHFFFAOYSA-N 327.424 4.500 0 40 EIAB CCCC[C@H]1C[C@@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O 2102240 OROXZXPYZYSMQA-WMZOPIPTSA-N 348.439 4.000 0 40 EIAB biogenic O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(=O)c2ccccc2o1 2648030 DQNZPKLIFPHBPD-UHFFFAOYSA-N 348.402 4.036 0 40 EIAB O=C(Cc1ccccc1)Nc1cccc(NC(=O)Cc2ccccc2)c1 2746984 JACGMARCROAZCW-UHFFFAOYSA-N 344.414 4.049 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)n1nnc2cc(Cl)ccc21 3091327 GAYFZGZCFAAVSH-UHFFFAOYSA-N 340.692 4.184 0 40 EIAB O=C(Cc1ccccc1)N1CCN=C1SCc1ccccc1Cl 4120279 IGDGXXAQLZJGPD-UHFFFAOYSA-N 344.867 4.014 0 40 EIAB COC(=O)N(/C=C/C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1 4611250 VZFUHQQQGIGTFC-UHFFFAOYSA-N 335.427 4.479 0 40 EIAB CC(C)C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5613924 XLDDBZFSURLRJG-QGZVFWFLSA-N 326.396 4.034 0 40 EIAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)OCc1ccccc1 5714374 KXFJNORVYOZHLI-GOSISDBHSA-N 327.424 4.297 0 40 EIAB Cc1nnc(CSc2ncnc3sc(-c4ccccc4)cc23)o1 6114500 PXSKOAXRGDISIT-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1 6221717 IURBBDFWBKEBII-UHFFFAOYSA-N 332.684 4.074 0 40 EIAB O=C(NC(=S)NC(c1ccccc1)c1ccccc1)c1ccccc1 6222828 JHEINPYXZIEETF-UHFFFAOYSA-N 346.455 4.081 0 40 EIAB CCCCN1C(=S)N=C(NCc2ccccc2)C12CCCCC2 6273580 CEBCZDTZNPYKLH-UHFFFAOYSA-N 329.513 4.278 0 40 EIAB COC(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6914287 BZECLCHEESWMAK-UHFFFAOYSA-N 327.424 4.018 0 40 EIAB CCOc1ccc(Oc2ccc(NC(=O)c3cc(C)on3)cc2)cc1 6948856 KAGFWBGTEFURPO-UHFFFAOYSA-N 338.363 4.426 0 40 EIAB CCC(CC)c1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 7166474 GMNJNKFIUAOSBY-UHFFFAOYSA-N 333.457 4.076 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882483 NWOKNSZAAGDCFO-QGZVFWFLSA-N 344.414 4.140 0 40 EIAB CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2ccccc21 8132437 XYTPFMZZLQRNSW-LBPRGKRZSA-N 345.493 4.087 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 8494818 CERUAUGYTAVBLU-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 8772567 SUCZDOPVPJFGJY-UHFFFAOYSA-N 331.372 4.060 0 40 EIAB O=C(CCCOc1ccccc1)Nc1nc(-c2ccccn2)cs1 8778358 UZXFNZAIKMXDEZ-UHFFFAOYSA-N 339.420 4.003 0 40 EIAB CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 9514060 PZHDWFPWEPUINQ-YWZLYKJASA-N 336.435 4.316 0 40 EIAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccco1 9659956 RVMBBZOPTXRPKO-UHFFFAOYSA-N 331.327 4.305 0 40 EIAB Cc1cnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 10556953 CYWKBJBMOZTBOS-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccccn1 12607285 XVYUDQPIRYSZCH-HXUWFJFHSA-N 336.822 4.183 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)(F)F)cc2)N1C1CC1 12644769 GKOAQKFLCRXZOT-MRXNPFEDSA-N 348.324 4.314 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1F 12677174 XASDZBQTQPURDC-LIRRHRJNSA-N 326.415 4.202 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1 12929079 LBROAOAEGVPTOL-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)CCc1ccccc1 13847368 AJLKPGVIAZYLOI-MAUKXSAKSA-N 329.415 4.121 0 40 EIAB CCC(CC)NC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 14021004 FROYCGNZXQTQRP-UHFFFAOYSA-N 337.423 4.425 0 40 EIAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@@H](C)C3)s2)cc1 14139173 DYGLJUUKSICATA-CQSZACIVSA-N 344.480 4.211 0 40 EIAB CCc1ccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 14258019 VIBFXQNMXPXCIB-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCC[C@@H](C)C3)ncnc21 15880912 MMEASWCRIVQHKD-GFCCVEGCSA-N 341.846 4.014 0 40 EIAB Cc1cccc(Nc2ncc3nc(S)n(-c4cccc(C)c4)c3n2)c1 16349775 MFECBLHNNQJLPW-UHFFFAOYSA-N 347.447 4.465 0 40 EIAB CCOC(=O)c1cnc2c(Br)cc(C)cc2c1Cl 19507973 GCVTVSDMJWECPZ-UHFFFAOYSA-N 328.593 4.136 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2cc(C)ccc2C)c(Cl)c1 22531584 DRHXSRUBEZKRHG-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1F 23683371 IIKOGSJVUBHTNG-UHFFFAOYSA-N 344.367 4.293 0 40 EIAB Cc1ccc([C@@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)C2CC2)cc1 25517914 SOWPHKFVWKBMAA-HXUWFJFHSA-N 336.435 4.032 0 40 EIAB COc1cccc2c1N(Cc1cc(Cl)cc3c1OCOC3)CCC2 26338417 FTBUBWZOBDZKAC-UHFFFAOYSA-N 345.826 4.168 0 40 EIAB O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCc2ccccc21 32764931 QVIIFNOYXMDQEN-FGZHOGPDSA-N 348.490 4.060 0 40 EIAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cn2cc(Cl)ccc2n1 32894934 NLQJZVIVVJWOAW-LLVKDONJSA-N 335.785 4.459 0 40 EIAB C[C@@H](NC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1 32931079 LJUXLNGZPKCLJO-SNVBAGLBSA-N 325.742 4.432 0 40 EIAB O=C(c1cc(F)c(Cl)cc1Cl)N1CCOc2ccccc21 33168044 VRUZPCPQIFXGJX-UHFFFAOYSA-N 326.154 4.172 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)[C@@H](C)c1ccccc1 35142175 ZZMZJZDPUQHIJM-WFASDCNBSA-N 345.826 4.482 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 41095350 BBJDCDTVEBBBTM-WMLDXEAASA-N 339.501 4.031 0 40 EIAB CCn1c(SCc2ccccc2Br)nnc1C1CC1 47832351 KYFLGIOUBHYKJI-UHFFFAOYSA-N 338.274 4.230 0 40 EIAB CCC(C)(C)NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 51203725 MOQLGWWYSLVYGA-UHFFFAOYSA-N 348.468 4.054 0 40 EIAB Cc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)no1 55879568 IRMUEHUOYSYPLD-LBPRGKRZSA-N 347.846 4.263 0 40 EIAB CCn1c(S[C@@H](C)c2cccnc2)nc2sc(C)c(C)c2c1=O 58245410 YBVDAFUROIEIOY-LBPRGKRZSA-N 345.493 4.343 0 40 EIAB O=C(NCc1cc2ccccc2[nH]1)Nc1ccc(-c2csnn2)cc1 58643369 NOAXJHMEFWIOEG-UHFFFAOYSA-N 349.419 4.008 0 40 EIAB O=C(Cc1cccs1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 61336446 FSQVFIRGQOCANQ-UHFFFAOYSA-N 349.455 4.209 0 40 EIAB Cc1ncc(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 65402297 XZEREKJJEKXZGB-UHFFFAOYSA-N 329.252 4.423 0 40 EIAB CC(C)n1nccc1NC(=O)NC(c1cccs1)c1cccs1 71915855 SKTXYMRGQZODQC-UHFFFAOYSA-N 346.481 4.498 0 40 EIAB CCC(=O)Nc1ccc(Cl)c2nc(-n3nc(C)cc3C)sc12 72229818 NUHYCXYEQYGQBJ-UHFFFAOYSA-N 334.832 4.101 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)Cc2ccsc2)s1 75606877 HVGCUVBPTOWEDC-ZYHUDNBSSA-N 337.514 4.155 0 40 EIAB CC(C)c1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)[nH]n1 78480609 NRGAKLOTHARUCJ-GOSISDBHSA-N 327.428 4.172 0 40 EIAB COc1ccc(-c2nc(-c3cccc(N)c3)sc2C)cc1OC 85397355 BYAKVUOTBOAJRE-UHFFFAOYSA-N 326.421 4.385 0 40 EIAB C1=C([C@@H]2CCCC[C@@H]2NCCc2nnc(-c3ccco3)[nH]2)CCCC1 89672845 LKEVLVPXNHSYAR-IRXDYDNUSA-N 340.471 4.256 0 40 EIAB C[C@@]1(CCCO)CCCN1Cc1cc(Br)ccc1Cl 95454741 ZZQGHIGTKZGUPA-HNNXBMFYSA-N 346.696 4.230 0 40 EIAB CC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1 95946143 BGQHNHMARIGXFQ-QGZVFWFLSA-N 343.224 4.147 0 40 EIAB O=C(Nc1cccc2nsnc12)c1cccc(Oc2ccccn2)c1 96382991 LIMJYZBFJICRJB-UHFFFAOYSA-N 348.387 4.131 0 40 EIAB COc1ccc(-c2nc(C)ncc2-c2ccc(Cl)cc2)c(O)c1 97956545 PGXWGFDPQCIAEQ-UHFFFAOYSA-N 326.783 4.487 0 40 EIAB C[C@@H](NC(=O)c1cc2ccccc2nc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102134686 QBWRBKVNLZLQCG-UKTARXLSSA-N 328.843 4.443 0 40 EIAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 102202708 GCLRGSOQPXHGPU-FUTJPDQTSA-N 345.826 4.001 0 40 EIAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1[C@H]1C[C@H]2C=C[C@H]1C2 104871587 BIZSKJWQSUHLKB-SNRMKQJTSA-N 344.414 4.372 0 40 EIAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 219500310 XTWSBTWIQNIGPO-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 224893360 IIRQRCSCJRCTNF-MAUKXSAKSA-N 327.424 4.038 0 40 EIAB CCc1nc2cc(C(=O)Nc3cc(Cl)ccc3OC)ccc2n1C 225896912 DLJDGWUCBRVTAB-UHFFFAOYSA-N 343.814 4.050 0 40 EIAB COc1cc2nc(Cl)nc(NCC3CCCCC3)c2cc1OC 228948965 HFIRKJHHCJZPFY-UHFFFAOYSA-N 335.835 4.293 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN(C)C1CCCCC1 245319123 ZKGHLKYIPSVZNW-AFYVEPGGSA-N 325.537 4.089 0 40 EIAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccccc1Br)OC2(C)C 257231531 GHDVEXFBLYRPQP-KNYNKSNXSA-N 339.273 4.322 0 40 EIAB Cc1ccc2c(C)cc(N3CCC[C@H](OCC(F)(F)F)C3)nc2c1 515501501 BTORLWFFKHVBFL-AWEZNQCLSA-N 338.373 4.399 0 40 EIAB Cc1ccsc1CCC(=O)N[C@H](c1cccs1)C1CCOCC1 585149448 SSDCMXQYRRYJMV-SFHVURJKSA-N 349.521 4.335 0 40 EIAB CO[C@@H]1CCC[C@@H](C(=O)N2CC=C(c3cccc(C)c3C)CC2)C1 1134781330 SXKDLLYPIUVNBY-RTBURBONSA-N 327.468 4.124 0 40 EIAB COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O 35020 VHBVZDCCHLNMTN-HNNXBMFYSA-N 349.386 4.037 0 40 EIAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1 176867 LMEVILOVJMESAX-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB O=C1N[C@@H](c2ccccc2)Nc2c1sc1nc3c(cc21)CCCC3 202891 JHMVTWZEQJYLKL-KRWDZBQOSA-N 335.432 4.029 0 40 EIAB Cc1c(C(=O)NC(C)(C)C)sc2nc(-c3ccc(F)cc3)cn12 429801 RJTJZXCQJROOSJ-UHFFFAOYSA-N 331.416 4.039 0 40 EIAB CC[C@@]1(C)Cc2c(sc3nc(SCC(C)C)nc(N)c23)CO1 507389 XUYKKQQGOHCUJA-INIZCTEOSA-N 337.514 4.263 0 40 EIAB S=C1N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N2CCCN12 509671 AXTIMGDLGCBLQL-INIZCTEOSA-N 329.856 4.066 0 40 EIAB Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 800776 WIGPXJAJZITWLJ-UHFFFAOYSA-N 336.391 4.033 0 40 EIAB COC(=O)c1sc2ncccc2c1OCc1ccccc1Cl 1387999 NKGSCPADZMBOQV-UHFFFAOYSA-N 333.796 4.315 0 40 EIAB Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C 1685092 IHYYXOQCBBWIHX-UHFFFAOYSA-N 330.844 4.170 0 40 EIAB in-vitro Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)cc1 2404888 WLDYAFNSQOMDHW-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB C[C@@H]1CCc2sc3nc(NCc4ccccc4)n4ncnc4c3c2C1 2454457 ZXVGMWQTOZQUQO-GFCCVEGCSA-N 349.463 4.076 0 40 EIAB O=C(c1cccc(CN2CCSCC2)c1)c1ccccc1Cl 2515297 QFFCLSAZAPATOC-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB COc1ccc(/C=C(/C(=O)O)c2ccc(Br)cc2)cc1 2573861 JTUCYOCHRIKFFH-XNTDXEJSSA-N 333.181 4.083 0 40 EIAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C/C(=O)O 2650206 SMZNZWYZBWBWLZ-SNAWJCMRSA-N 345.613 4.298 0 40 EIAB O=C(Cc1c(F)cccc1Cl)NCc1cccc(C(F)(F)F)c1 3455556 ITGFZHAEAHJUHR-UHFFFAOYSA-N 345.723 4.357 0 40 EIAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 4275333 YECRJRVVXYQZCS-UHFFFAOYSA-N 340.404 4.034 0 40 EIAB COc1ccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)cc1 4733478 DZEDSYSJFFSDRX-UHFFFAOYSA-N 334.354 4.288 0 40 EIAB Clc1ccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)cc1 5013904 AWTRTPYUNLJYQI-VMPITWQZSA-N 328.784 4.270 0 40 EIAB Cc1csc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1 5101555 MUQFAYSPHMVKIF-DOMZBBRYSA-N 332.494 4.126 0 40 EIAB COC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 5355520 RKSVLXZIKWEMIG-UHFFFAOYSA-N 331.371 4.393 0 40 EIAB COc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 6254932 WMJKLWRAGIJSHU-UHFFFAOYSA-N 347.436 4.191 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nonc1-c1ccc(F)cc1 6661347 XEOOQESHKGXOSU-XCVCLJGOSA-N 343.745 4.181 0 40 EIAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)cc1Cl 7266613 LIPIQWGLTYGRSV-GFCCVEGCSA-N 337.250 4.452 0 40 EIAB CC(C)[C@H](Nc1ncnc2sccc12)c1ccc2c(c1)OCCO2 7467898 AUPILXZAEOSHMO-INIZCTEOSA-N 341.436 4.272 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C)n1C1CC1 7617702 JIIAWSHOOYDZOL-NSHDSACASA-N 340.452 4.075 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1C1CC1 7886036 RXCNKZKENANXIV-MRXNPFEDSA-N 330.334 4.017 0 40 EIAB O=C1c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1C1CC1 7886068 YVXPYWQUVMEWJP-INIZCTEOSA-N 332.325 4.434 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1cccc2cccnc12 7988755 BOBJQEVXOIZAHT-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB CCCc1nnc2sc(COc3cc(C)ccc3C(C)C)nn12 8392293 OCGOKCWSOSBGNG-UHFFFAOYSA-N 330.457 4.149 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSc1ccccc1 8479765 LMDKWKXNYYFDBQ-GOSISDBHSA-N 329.465 4.061 0 40 EIAB O=C(Nc1nnc(SCCCc2ccccc2)s1)c1ccco1 9095411 UCUXYCUICWEWLB-UHFFFAOYSA-N 345.449 4.108 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)oc2c1 9704926 VAHDFKCVIYXKGW-UHFFFAOYSA-N 345.757 4.075 0 40 EIAB COc1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1OC 10584784 QHMNTJGKZUKMNY-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1c(C(=O)c2cccc(N3CCCC3=O)c2)oc2ccc(F)cc12 11158733 XHOZVBPKSSJCFC-UHFFFAOYSA-N 337.350 4.238 0 40 EIAB CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C 11565951 YQIOOLXLDHXFQW-UHFFFAOYSA-N 333.453 4.283 0 40 EIAB Cc1sc(-c2c(Cl)cccc2Cl)nc1C(=O)NC1CC1 11865425 KJFIZDQIEJUXMV-UHFFFAOYSA-N 327.236 4.318 0 40 EIAB CCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 11923293 NDUUXVINOBNCBH-UHFFFAOYSA-N 339.464 4.190 0 40 EIAB CCc1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 12029295 LWODCDHKEZZIEO-UHFFFAOYSA-N 331.415 4.124 0 40 EIAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3cccc(F)c3)c2cc1C 12475027 WJNBDPMJHYBXEM-UHFFFAOYSA-N 347.393 4.196 0 40 EIAB CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12763286 IWVMXIKBBSSLAW-UHFFFAOYSA-N 342.445 4.255 0 40 EIAB O=C(Nc1cccc(F)c1)c1ccc(NC(=O)c2cccs2)cc1 12782494 ZHMRQNIUBGIVRZ-UHFFFAOYSA-N 340.379 4.392 0 40 EIAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccc(C(C)(C)C)cc1 12790420 DYCZTVSYHSHGGX-HNNXBMFYSA-N 344.524 4.182 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCSc2c(F)cccc21 12849985 FCUTUJKBAYCEEO-OAHLLOKOSA-N 335.831 4.375 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cnc21 12882529 RHOBNOAVYNGFPM-GFCCVEGCSA-N 342.830 4.157 0 40 EIAB Cc1ccc(OCCC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 13006075 DFYXPBLLCRQNMF-KRWDZBQOSA-N 345.439 4.256 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCSc2ccc(C)cc2)c1 13649482 RAHIVLBPHTUMBI-UHFFFAOYSA-N 343.448 4.293 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 13710228 PKWJVLFORDOUSO-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB COc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 14019190 UBNNOWQLVIAMTL-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 14109356 YXFLVBFGLWQYFI-SUMWQHHRSA-N 345.439 4.255 0 40 EIAB CCc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 14219164 WCXWPNFKYIXRII-INIZCTEOSA-N 331.481 4.214 0 40 EIAB COc1ccccc1CCNC(=O)c1ccccc1Oc1ccccc1 14603609 SBURPFVFZQACPR-UHFFFAOYSA-N 347.414 4.460 0 40 EIAB CCC1=Nc2ccccc2N=C(NC(C)=O)[C@H]1c1ccc(OC)cc1 14608108 GMRCWTIHMHDLDV-IBGZPJMESA-N 335.407 4.141 0 40 EIAB Cc1ccc(F)c(NC(=O)CSc2nc3ccccc3s2)c1 15595442 LEJAVKOSWUGTFN-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB CCCCCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 16032551 PHXAHNHFSUYNBQ-NQIIRXRSSA-N 345.483 4.023 0 40 EIAB biogenic CCOc1cc2c(cc1NC(=O)c1cc3ccccc3[nH]1)O[C@H](C)C2 16303121 DNXRZASTAJBFBV-GFCCVEGCSA-N 336.391 4.142 0 40 EIAB Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)CCC[C@H]3C)o2)c(C)c1Cl 18008671 HNAMKQLSJWGFRH-TXEJJXNPSA-N 349.862 4.198 0 40 EIAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccccc1C 20452168 ZOWUZAOXFREGRA-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20795876 IOVMZXZSTWYRBU-MRXNPFEDSA-N 348.450 4.113 0 40 EIAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OC 22074666 FHFXMIJYEFZNSD-UHFFFAOYSA-N 337.822 4.219 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NC2CCCCCC2)cc1OC 30854309 NUQWLVXOBGXBEC-ZDUSSCGKSA-N 337.485 4.023 0 40 EIAB CC[C@H](NC(=O)c1ccc(COC)cc1)c1ccccc1OC(F)F 31756081 RAHWQBUOFFPLRD-INIZCTEOSA-N 349.377 4.316 0 40 EIAB COc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1 35316383 JHQMFYOAIBBHHA-OAHLLOKOSA-N 336.416 4.293 0 40 EIAB COC(=O)c1ccc(OC)cc1OCc1ccc(C(F)(F)F)cc1 36719668 VGPNPTLMBZYMJD-UHFFFAOYSA-N 340.297 4.080 0 40 EIAB COc1cc(NC(=O)CCSc2ccccc2)c2ncccc2c1 38679398 MCBPDSASBJSFJZ-UHFFFAOYSA-N 338.432 4.364 0 40 EIAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnc2ccnn12 38829543 LQWYLXSWMMIUDG-UHFFFAOYSA-N 344.374 4.082 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 40071282 ZVUILHDCYIJURD-JKOKRWQUSA-N 332.341 4.307 0 40 EIAB CC[C@H](C)c1noc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 40714383 VZEXSPCEQGYNJN-FEAKQIBJSA-N 339.439 4.003 0 40 EIAB O=S(=O)(NC1CCCCCC1)c1ccc(Cl)c2ccccc12 41095389 LHHBCYKXEWOSCI-UHFFFAOYSA-N 337.872 4.494 0 40 EIAB Cc1cc(C)c2nc(N3CCN(c4ccccc4)CC3)cc(C)c2c1 41127846 GMAPEHKKQPYIIN-UHFFFAOYSA-N 331.463 4.487 0 40 EIAB O=C(c1ccc(C2OCCO2)s1)c1ccccc1C(F)(F)F 43210396 WSLYDGYFBVIXKX-UHFFFAOYSA-N 328.311 4.043 0 40 EIAB CCOc1ccc(Oc2ccc(NC(=O)CN(C)C(C)C)cc2)cc1 48263610 SHZARTYYLKBJAZ-UHFFFAOYSA-N 342.439 4.156 0 40 EIAB COc1ccc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1 49170100 COXDGYQJXRYBRB-KRWDZBQOSA-N 341.455 4.115 0 40 EIAB biogenic,in-vitro CC(C)c1ccc2nc(Cc3csc(C(C)C)n3)[nH]c(=O)c2c1 57771824 FRRIINUMGYFYDT-UHFFFAOYSA-N 327.453 4.217 0 40 EIAB O=C(NCc1cccc2ccccc12)Nc1ccn(-c2ccccc2)n1 58417042 LLQFCXUIYMRJID-UHFFFAOYSA-N 342.402 4.347 0 40 EIAB Cn1cc(/C=C/C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cn1 60599997 PKJYLANOMZSZDA-IZZDOVSWSA-N 343.386 4.485 0 40 EIAB COc1cccc(NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 69873215 OJEDKSQJZLSSOL-UHFFFAOYSA-N 339.439 4.112 0 40 EIAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1cccc(C(F)(F)F)c1 72230404 HHSPNPDKQQZKQX-LBPRGKRZSA-N 349.418 4.266 0 40 EIAB CC(C)c1cc(C(=O)Nc2ccccc2CCC(F)(F)F)n(C)n1 89893299 FRIKKAVXUAJPIC-UHFFFAOYSA-N 339.361 4.291 0 40 EIAB Cc1cc(C[S@@](=O)Cc2ncoc2C(C)C)c2ccccc2n1 92251994 QQZHQBGBFXVEQF-QHCPKHFHSA-N 328.437 4.104 0 40 EIAB C[C@H](NCc1ccc(OCc2ccccn2)cc1)c1cncc(F)c1 95420538 XQJUMIBBFKFDMW-HNNXBMFYSA-N 337.398 4.046 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1 95428096 NUANBCPFAZCTBF-MYODQAERSA-N 346.839 4.400 0 40 EIAB F[C@@H](OC(F)(F)F)C(F)(F)Oc1ccc(Br)cc1 98210668 FFEGFMNLELAYCC-ZETCQYMHSA-N 339.029 4.253 0 40 EIAB O=C(Nc1scnc1-c1ccccc1)[C@H]1CCOc2ccccc21 102853601 PWLDENQRPZDQOP-HNNXBMFYSA-N 336.416 4.315 0 40 EIAB Cc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)nn1Cc1ccc(F)cc1 103029866 HHTMCDYGMLPOFK-ULQDDVLXSA-N 341.430 4.144 0 40 EIAB COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1O 169302003 PKAIECBWQZFYRP-LHHIGXILSA-N 330.424 4.172 0 40 EIAB biogenic,in-vitro Cc1ccccc1CSCCNC(=O)c1ccccc1OC(C)C 219734343 UNXBOOCOGXDFJH-UHFFFAOYSA-N 343.492 4.445 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCCc1ccccc1Cl 219738516 FIMVIYLCFOULEG-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Cl 222861217 CBUQUHLLSUCMNH-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(F)cc1 222945821 UFGLMRZCFYPFEV-JTQLQIEISA-N 334.188 4.180 0 40 EIAB CCc1ccc(CC(=O)NCCSCc2ccc(C)cc2)cc1 223124004 ZVLFVXVATGWHGA-UHFFFAOYSA-N 327.493 4.150 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NCCOc1ccc(Cl)cc1 223411704 XVZWAPNFTYHERE-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COC(C)C 224423543 JYILNIGEAUOKSV-UHFFFAOYSA-N 327.424 4.489 0 40 EIAB CCCCOCc1cc(C(=O)NCc2ccccc2)ccc1OCC 224724142 OMXSOPIARSRWRN-UHFFFAOYSA-N 341.451 4.332 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)c(Cl)c1 225006093 UAZXUMCTHDTKIC-UHFFFAOYSA-N 327.862 4.253 0 40 EIAB COc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2N)cc1 225182093 CLOKQNFUHAVZBS-UHFFFAOYSA-N 333.313 4.149 0 40 EIAB COc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(F)(F)F 225792217 IBRWNOPINSOQGS-HNNXBMFYSA-N 333.350 4.104 0 40 EIAB Nc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 226310663 QHXJFTLZFZGIIF-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB FC(F)(F)c1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1 228946631 AVPBTEJYEVBIKJ-UHFFFAOYSA-N 333.100 4.141 0 40 EIAB O=C(NCCn1cc(-c2ccccc2)cn1)c1cccc2ccccc12 238972622 ZOHODCYSKYBNES-UHFFFAOYSA-N 341.414 4.133 0 40 EIAB CCc1oc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C 390834225 UVSSWXTWLVXQIX-AEFFLSMTSA-N 345.414 4.282 0 40 EIAB COc1cccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 409087192 GXLDOQGYHSSLPV-UHFFFAOYSA-N 345.354 4.288 0 40 EIAB Fc1ccccc1[C@@H](F)C1CCN(c2ncnc3[nH]ccc23)CC1 557681788 DDXGRFQJWPGTBA-INIZCTEOSA-N 328.366 4.024 0 40 EIAB O=C1CC[C@H](c2nc(-c3ccc(F)cc3F)no2)c2ccccc21 560005525 MSCMCCXJFFJPDF-ZDUSSCGKSA-N 326.302 4.123 0 40 EIAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc(F)c(F)c1 585146739 JZGRXUOYNQNYSE-LBPRGKRZSA-N 333.359 4.181 0 40 EIAB Cc1noc(C)c1-c1ccc(CNC(=O)c2cc3ccccc3o2)o1 1889223275 HKZIFHXQIUVRGF-UHFFFAOYSA-N 336.347 4.228 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1OC 95340 ARJVURNESMZCAI-XBXARRHUSA-N 335.762 4.148 0 40 EIAB biogenic COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)c(OC)c1 147261 GABFEUGKUHZALP-ZRDIBKRKSA-N 325.408 4.479 0 40 EIAB Cc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 389362 LWLWMKZVJACQPO-OAHLLOKOSA-N 336.387 4.368 0 40 EIAB biogenic Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2F)o1 417835 ZRNGVNKTHOGIBS-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB Cc1cccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)c1 2183280 YVHBTKXSASPEFM-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB S=c1nc(-c2ccccc2)n(C[C@@H]2CCCO2)c2c1CCCC2 2550726 XILRRKJQOJWTJM-HNNXBMFYSA-N 326.465 4.337 0 40 EIAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1 3174387 DDPIYNZUXGBGNE-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB CCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3179156 WQTCJNNSDSUSEE-UHFFFAOYSA-N 332.403 4.375 0 40 EIAB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl 3295382 BCRFGADBBIQOOI-UHFFFAOYSA-N 326.783 4.404 0 40 EIAB CSc1ncccc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 3333580 BCNXJORCNJMHBQ-UHFFFAOYSA-N 328.481 4.373 0 40 EIAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3358025 YVHRNTSRPKXGDU-AWEZNQCLSA-N 349.883 4.329 0 40 EIAB C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 3873366 LKAJKIOFIWVMDJ-MUCQQEEJSA-N 328.500 4.118 0 40 EIAB world COC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12 4575520 APWJDYYQSFOKEY-UHFFFAOYSA-N 343.810 4.338 0 40 EIAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)c(C)c1 4734298 MTRXHRHFFGHOCG-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB CCCCCC1=NN(C(=O)c2cccc(C)c2)[C@@](O)(C(F)(F)F)C1 4903163 TYDSLBPWXLEJAC-INIZCTEOSA-N 342.361 4.028 0 40 EIAB Cc1cc(=O)[nH]c(-c2cc(Cl)nc(Oc3ccc(Cl)cc3)c2)n1 5177863 MQVCZVWEGRKTQE-UHFFFAOYSA-N 348.189 4.239 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 5260072 PUOJVCQKHFVVIE-UHFFFAOYSA-N 339.416 4.163 0 40 EIAB CN(C)C(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccccc1 5325798 CHJCGHIKUWJFLB-MRXNPFEDSA-N 342.489 4.484 0 40 EIAB CCc1sc2[nH]c(=S)n(Cc3ccc(C)cc3)c(=O)c2c1C 5695775 VUDSKPQAGDOTMZ-UHFFFAOYSA-N 330.478 4.348 0 40 EIAB Cc1nc2ccccc2nc1S[C@@H]1C(=O)[C@H]2CC[C@]1(C)C2(C)C 5724552 GCSYATYZPFDPDT-FXHACXQTSA-N 326.465 4.424 0 40 EIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCC2 6316507 RJDKPACTVTUNOC-UHFFFAOYSA-N 339.819 4.159 0 40 EIAB COCCn1c(-c2ccccc2)cnc1NCc1ccccc1Cl 6381577 HVUZUNLIHNFUCW-UHFFFAOYSA-N 341.842 4.462 0 40 EIAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 7218258 NIENFXKRTDSQEM-UHFFFAOYSA-N 345.851 4.314 0 40 EIAB CCOc1c(Cl)cc(CNCc2ccc(OC)cc2)cc1OC 7538515 QHFOYUULBVLPIJ-UHFFFAOYSA-N 335.831 4.046 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1Cc2ccccc2O1 7946895 QLPDRERINSIXPU-HXUWFJFHSA-N 331.371 4.421 0 40 EIAB COc1ccc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1F 8074879 QODHBEUNXAEYII-UHFFFAOYSA-N 340.398 4.205 0 40 EIAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 8747686 IJWWTYFYHDPBMG-UHFFFAOYSA-N 342.345 4.500 0 40 EIAB CSc1ccc(CN(C)C(=O)c2ccc3ncsc3c2)cc1 9503624 HWTHOYYJTPNQQU-UHFFFAOYSA-N 328.462 4.290 0 40 EIAB Cc1cc(C)c(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)c(C)c1 9900843 DSEJPKZEUQPBMK-UHFFFAOYSA-N 348.446 4.057 0 40 EIAB COc1ccc(Cl)cc1CSCC(=O)N[C@@H]1CCCC[C@@H]1C 9938584 MLRFUFLLFNZAMT-SWLSCSKDSA-N 341.904 4.277 0 40 EIAB Cc1ccc(CSCCNC(=O)Cc2ccc(Cl)cc2)cc1 10335609 ZJQPMGHTBMZOJY-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1 12475031 UJGMYJBVBUFOLE-UHFFFAOYSA-N 335.794 4.093 0 40 EIAB Cc1ccnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 12527221 PQOCCFMRDCROKU-UHFFFAOYSA-N 343.839 4.348 0 40 EIAB Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3C)ccc2o1 12748866 NJBGCXMOJLHCBM-UHFFFAOYSA-N 330.771 4.116 0 40 EIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)cc1 12916816 WMCHPEIGFDYHOG-GOSISDBHSA-N 344.842 4.124 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1sc(-c2ccccn2)nc1C 12985456 LBYJZIJURJAAAC-ZDUSSCGKSA-N 337.448 4.313 0 40 EIAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(Cl)c3)n2)c1 13495264 OCQYWOAWGCQTIV-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cccc(C(=O)OCC)c2)cc1 14291392 MYOWUILQDGXXSJ-UHFFFAOYSA-N 341.407 4.295 0 40 EIAB CCCc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1C 15860741 IRBSXHSPKQHWNH-KRWDZBQOSA-N 338.451 4.046 0 40 EIAB Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19832125 NDHKFHYKUGVVBA-UHFFFAOYSA-N 335.278 4.311 0 40 EIAB Cc1cccc(-n2ncc3c2C[C@H](c2cc(F)cc(F)c2)CC3=O)c1 20632815 ACRLKPBDBPFCMD-AWEZNQCLSA-N 338.357 4.372 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 24780828 KVFYJRZBIMQZDN-ZDUSSCGKSA-N 338.436 4.115 0 40 EIAB C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccncc1 27405478 HXFFNVGLTVSPTL-KRWDZBQOSA-N 346.430 4.065 0 40 EIAB Cc1ccc(O)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 29794647 FEMSTQHMKGGGID-UHFFFAOYSA-N 349.415 4.329 0 40 EIAB COc1ccc(CC(=O)N[C@H](c2cccs2)C2CCCC2)cc1 31806333 XRAYFQJMVAEJQA-IBGZPJMESA-N 329.465 4.347 0 40 EIAB CCOc1ccc(S(=O)(=O)Oc2ccccc2)c2ccccc12 32602201 LPSBCOGTOSASOE-UHFFFAOYSA-N 328.389 4.006 0 40 EIAB CCCN1CCCc2cc(CCNC(=O)c3ccc(C)cc3)ccc21 35588091 LSSSOTPFJMCRNN-UHFFFAOYSA-N 336.479 4.130 0 40 EIAB COc1cc2c(cc1C(=O)Nc1cc(Cl)ccc1C)OCCCO2 46077918 JXDMITVGTSQXBG-UHFFFAOYSA-N 347.798 4.071 0 40 EIAB Cc1nccn1-c1ccc(CNCc2ccc(Cl)c(Cl)c2)cn1 48782271 GPUUHDFGGGUUAN-UHFFFAOYSA-N 347.249 4.172 0 40 EIAB Cc1nc(Oc2cc(Cl)c(Cl)cc2Cl)c2cnn(C)c2n1 54041690 BPEYUWAXFCMWIY-UHFFFAOYSA-N 343.601 4.424 0 40 EIAB Fc1cccc(Cl)c1CNC1CCN(Cc2ccccc2)CC1 58165457 SAJLSNUPASGUQM-UHFFFAOYSA-N 332.850 4.233 0 40 EIAB CCOc1c(Cl)cc(/C=C/c2ncc(C(=O)O)s2)cc1OC 58406996 BZCKDFNXXAOPNE-SNAWJCMRSA-N 339.800 4.072 0 40 EIAB O=C(NCc1ccc(CN2CCCCCC2)cc1)N1CCCCCC1 60566518 GTLGJSJCYNPZSE-UHFFFAOYSA-N 343.515 4.148 0 40 EIAB Cc1cc(NC(=O)C2(c3cccc(F)c3)CCC2)nc(C(C)C)n1 63440162 ZOXMWMCPFMBDPG-UHFFFAOYSA-N 327.403 4.108 0 40 EIAB c1cn(-c2ccc3cn[nH]c3c2)c(-c2ccc([C@H]3CCCCO3)o2)n1 67742964 XWGVTBMPDHGHRG-MRXNPFEDSA-N 334.379 4.250 0 40 EIAB CSc1ccccc1NC(=O)CN(C)c1nc2ccccc2s1 70972794 MTKYZEDMVDPOHY-UHFFFAOYSA-N 343.477 4.093 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2F)n1 72273775 YISLYXFIZCOVDL-INMHGKMJSA-N 344.455 4.448 0 40 EIAB FC(F)(F)c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 75165316 REJWLTODGFGEFH-UHFFFAOYSA-N 345.752 4.121 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 78578955 WSIZHYVUGKWQFF-LBPRGKRZSA-N 338.234 4.499 0 40 EIAB CO[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 96388085 KFDKHWZNHDCFME-SFHVURJKSA-N 329.415 4.241 0 40 EIAB Cc1csc([C@H](NC(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)n1 96437458 XLEKPBZVRZXBJJ-IAQYHMDHSA-N 333.432 4.102 0 40 EIAB CCCCC/C=C/C[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 150373828 VNYSSYRCGWBHLG-ZBOOJNBNSA-N 336.472 4.158 0 40 EIAB Cc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 222762368 JONNIIMFLXCIGY-GOSISDBHSA-N 339.435 4.101 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C(C)C)cc1 222812112 YUZCJBMSUCFAFU-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 222865983 NIAXWMXQBNBECM-LJQANCHMSA-N 341.451 4.267 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 223385627 AHKXAKSHOCVAGI-XCVCLJGOSA-N 336.218 4.202 0 40 EIAB Cc1ccc(SCCC(=O)NCCc2ccc(Cl)cc2)cc1 223440263 JYXWXROPQCYXIQ-UHFFFAOYSA-N 333.884 4.490 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224149027 UWCYCGSBINORNS-UHFFFAOYSA-N 347.842 4.410 0 40 EIAB CCOc1ccc(C(=O)NC)cc1CSc1ccc(Cl)cc1 224669488 MPSRVUCKFBZFQX-UHFFFAOYSA-N 335.856 4.391 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225120101 TWABGWKDNITOKO-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1ccc(C2(NC(=S)Nc3cc(C)ccn3)CCCC2)cc1 225873362 JRXKJVYGLPVTJG-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB Cc1cc(OCC(=O)Nc2c(N)cccc2Cl)cc(C)c1Cl 226359316 BAWADUFQMHTCCA-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1cc(C)c2c3c(c(=O)oc2c1C)[C@H](c1ccccc1)CC(=O)O3 226763026 VYROLMIHXWVQHZ-HNNXBMFYSA-N 334.371 4.159 0 40 EIAB O=C(COCc1ccccc1)c1c(F)cc(Br)cc1F 381949683 BRBLDAXAWPKJIT-UHFFFAOYSA-N 341.151 4.127 0 40 EIAB O=C(NCCc1cccc2ccccc12)c1cc(O)nc2ccccc12 1528880823 IIPXYYCDWLKCTR-UHFFFAOYSA-N 342.398 4.066 0 40 EIAB Clc1ccc(-c2nc3ccccn3c2NC[C@H]2CCCO2)cc1 417419 VTIMRLYOPNRLHA-OAHLLOKOSA-N 327.815 4.246 0 40 EIAB CN(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 534878 CGIYVSYMCTXYKV-UHFFFAOYSA-N 343.766 4.174 0 40 EIAB biogenic CC(=O)c1ccc(OCCCC(=O)NCc2ccc(Cl)cc2)cc1 2619566 GRUCYPVPDYBGGX-UHFFFAOYSA-N 345.826 4.018 0 40 EIAB C[C@@H]1CCCCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 3283474 UNDWBEVAWGGZFA-CYBMUJFWSA-N 339.464 4.026 0 40 EIAB O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2ccccc2s1 3367699 WRBNULJPRATXJR-CQSZACIVSA-N 328.462 4.264 0 40 EIAB CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 4077343 SKIHYYXOGKCHAV-UHFFFAOYSA-N 329.469 4.302 0 40 EIAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 4525563 IHIULIUAYBBVFZ-VFZGTOFNSA-N 332.856 4.380 0 40 EIAB CCc1ccc(N(C(=O)Nc2ccccc2OC)C2=NCCC2)cc1 4570542 XKRCDHIRUMKWDR-UHFFFAOYSA-N 337.423 4.488 0 40 EIAB CCc1nc(Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1 5176661 AOQAQNWINCCRLU-UHFFFAOYSA-N 347.374 4.453 0 40 EIAB COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1 5358225 UNVKXVCDLOLPJE-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB COc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1 5848888 MJWOAYUDFMVLJZ-UHFFFAOYSA-N 339.416 4.222 0 40 EIAB CCCN1C(=O)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 6654705 IBZQRBKNKFSIFF-WJDWOHSUSA-N 327.405 4.295 0 40 EIAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(C)c3C)cs2)c1 7845601 IRTZXNBVACVIEA-UHFFFAOYSA-N 339.464 4.255 0 40 EIAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 8163079 IXANYBSJUVHORR-LJQANCHMSA-N 336.435 4.003 0 40 EIAB Cc1ccc(OCCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1 8332130 NSPQGSMTPFHBBI-UHFFFAOYSA-N 342.197 4.250 0 40 EIAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2C)cc1 8411462 IWLLJGXVZCDLBE-UHFFFAOYSA-N 338.476 4.486 0 40 EIAB CCOCc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12 9155617 JEMWCTSBGLMCNS-UHFFFAOYSA-N 325.364 4.230 0 40 EIAB O=C(CCc1ccccc1O)N[C@@H]1CCSc2ccc(Cl)cc21 9501342 KCBWADDLEXCGMN-OAHLLOKOSA-N 347.867 4.332 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 10448713 SHPMRNIKCULWNN-QGQQYVBWSA-N 343.810 4.002 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1C 11052254 ZCUVXAJVOXPXFX-AWEZNQCLSA-N 337.419 4.319 0 40 EIAB Cc1nc2cc(C(=O)N3CCC(c4ccncc4)CC3)ccc2s1 12117392 KYTFHMHMJPPLBJ-UHFFFAOYSA-N 337.448 4.020 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1 12422241 TVCRBZYDRGQPOU-CQSZACIVSA-N 340.448 4.083 0 40 EIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1C 12816615 VQLMDSXIAQIXEA-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2)cc1 13058040 MCPDFMRLUQCRPO-CYBMUJFWSA-N 344.842 4.002 0 40 EIAB Cc1nnc(CSc2ncnc3scc(-c4ccccc4)c23)o1 14182065 PHFDMWWWRJBAGF-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Oc3ccccc3F)no2)cc1 15669823 FCDCYMXDWUPZSK-UHFFFAOYSA-N 327.311 4.099 0 40 EIAB Cc1ccc(-c2noc(CN(Cc3ccco3)Cc3ccco3)n2)cc1 16418187 DPRYBHVLPJFALP-UHFFFAOYSA-N 349.390 4.433 0 40 EIAB Oc1nc(SCc2ccc(Cl)cc2)nnc1Cc1ccccc1 16777159 PUNASDPUXPIFDE-UHFFFAOYSA-N 343.839 4.114 0 40 EIAB COc1cccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)c1 20722752 FGGPCWIBOWACQV-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB COc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)o1 22397827 RCSSGQXLHNUFJR-UHFFFAOYSA-N 325.339 4.024 0 40 EIAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2sccc2C1 30037803 WNXUAYSOWZDNSC-UHFFFAOYSA-N 344.823 4.255 0 40 EIAB Cn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccco1 31611912 SNWYNRDEWSLXJJ-UHFFFAOYSA-N 340.383 4.055 0 40 EIAB CCc1cc(C(=O)OC)c(NC(=O)Nc2cc(C)ccc2C)s1 32611419 QLZONJIQCSLPGC-UHFFFAOYSA-N 332.425 4.358 0 40 EIAB O=C(Nc1cccc2ccccc12)[C@H]1CC(c2cccc(F)c2)=NO1 32833075 CRNQRRPOVXAZJH-LJQANCHMSA-N 334.350 4.111 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 33297988 ICTGRCZYSQJGOC-HIFRSBDPSA-N 339.464 4.396 0 40 EIAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)c2ccccc12 35685860 OUJDPUCPPLWFBP-UHFFFAOYSA-N 348.807 4.270 0 40 EIAB O=S(=O)(Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1 38755609 JRGAJDMKRGUBTL-UHFFFAOYSA-N 343.379 4.419 0 40 EIAB O=C(Nc1nc2ccccc2s1)N(Cc1ccc(O)cc1)C1CC1 40152963 FMDGZQKWAUZXLV-UHFFFAOYSA-N 339.420 4.198 0 40 EIAB Brc1cc(Cc2ccccc2)ccc1O[C@@H]1CCCNC1 42774403 YPRPXSCGOHXNMX-MRXNPFEDSA-N 346.268 4.171 0 40 EIAB Fc1ccc(-c2cnc(SCc3noc(-c4ccco4)n3)o2)cc1 43522427 SQANGMACLKDKLQ-UHFFFAOYSA-N 343.339 4.416 0 40 EIAB N[C@H](CC(=O)O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 44216753 WXSJGVHAZYJLRI-SNVBAGLBSA-N 333.693 4.093 0 40 EIAB COC[C@@H](C)c1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1 65495895 GTCWJPYXSCSJJM-ZIAGYGMSSA-N 346.496 4.017 0 40 EIAB CC(C)c1noc([C@H](C)Sc2nnc(Cc3cccs3)o2)n1 66262075 OGECZSRILRUKEI-VIFPVBQESA-N 336.442 4.082 0 40 EIAB O=C(C[C@@H]1C=CCC1)N[C@H](c1cccnc1)c1cc2ccccc2o1 69620296 MCVHUCFCSDFDEN-QVKFZJNVSA-N 332.403 4.390 0 40 EIAB CC(C)(C)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CO)cc1 79111234 XVRTXPNHJNOEKF-IBGZPJMESA-N 338.451 4.108 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)OC(=O)Cc2cccc3cccnc23)c1 89492829 GFINTVKBZVZEGY-CQSZACIVSA-N 348.402 4.040 0 40 EIAB CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C 95095406 IRVKKEOAJDSQOD-HOCLYGCPSA-N 329.444 4.345 0 40 EIAB Cc1noc(C)c1CNC(=O)N(C)C1CCC(c2ccccc2)CC1 95955255 HIMTXNXBRMPPMY-UHFFFAOYSA-N 341.455 4.159 0 40 EIAB c1coc(CN2CCC3(CC2)C[C@@H](c2cncnc2)c2ccccc23)c1 96241590 IMPHSASMWGPJHS-FQEVSTJZSA-N 345.446 4.139 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)C(C)C 96319374 IGHOLGWAXCGVRX-UHFFFAOYSA-N 331.843 4.464 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 102318627 PYUUMDIVRVIEDZ-ZDEQEGDKSA-N 339.888 4.305 0 40 EIAB O=C1[C@@H]2[C@H]([C@@H]3[C@H]4C[C@@H]([C@@H]5[C@H]6C=C[C@H](C6)[C@@H]45)[C@@H]13)[C@@H]1C[C@@H]2[C@H]2[C@H]3C=C[C@@H](C3)[C@H]12 102936127 NCVGHTNYYDKVAM-ZOQGBOEESA-N 344.498 4.210 0 40 EIAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)c1ccccc1Cl 206683776 WLBCCHUBAQAUMQ-INIZCTEOSA-N 347.823 4.006 0 40 EIAB COC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 216791348 VBIMLINZHQIJAM-UHFFFAOYSA-N 332.153 4.044 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C)c(C)c2)c1 223096741 NXEYHADXJLLXKN-UHFFFAOYSA-N 339.435 4.360 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1Cl 224618620 GEYUCFUIECPLEC-QGZVFWFLSA-N 347.842 4.001 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 224920012 MURUKIXVYIHJSU-KRWDZBQOSA-N 338.451 4.310 0 40 EIAB COc1cccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225083226 IUFMFHZTSDHBMR-CQSZACIVSA-N 341.190 4.077 0 40 EIAB COc1ccccc1NC(=O)NCc1cccnc1-c1cccs1 225762306 ZOLIECRRRASCNJ-UHFFFAOYSA-N 339.420 4.140 0 40 EIAB CCCSc1nnc(NC(=O)CCc2ccc(C)c(C)c2)s1 225788110 XDIXKMAEDOCUCB-UHFFFAOYSA-N 335.498 4.228 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2cccc([C@H](C)O)c2)cc1Cl 226274644 WTEMCHYBYUEQHG-VIFPVBQESA-N 340.206 4.308 0 40 EIAB CN(CCc1ccc(Cl)cc1)C(=O)NC1CCC(F)(F)CC1 541851035 AGEOTVKYCBTYMJ-UHFFFAOYSA-N 330.806 4.102 0 40 EIAB Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1C[C@@H](C)CCO1 585082024 QZWQPTWZHDATTJ-YWZLYKJASA-N 338.451 4.361 0 40 EIAB Cc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 507617 DKAUTBMKQPDRNJ-HXUWFJFHSA-N 340.382 4.314 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C 518316 KPUIORAMYKZOGW-OHTAKOAQSA-N 329.440 4.489 0 40 EIAB biogenic C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)cc1 798416 BNRZOAPBMGXRLQ-SNVBAGLBSA-N 331.828 4.336 0 40 EIAB CCCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C 1927010 MUEJFMJNBGHTSH-QGZVFWFLSA-N 339.414 4.374 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(OC)c2)cc1OC 1940321 VUKRHFCVYDINBK-PKNBQFBNSA-N 341.407 4.145 0 40 EIAB Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1F 2718334 AXEHYORUQHHORZ-UHFFFAOYSA-N 332.375 4.485 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1oc2ccccc2c1C 3294835 LZETZFPLYUZDGH-UHFFFAOYSA-N 338.359 4.309 0 40 EIAB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)s1 3325773 UZZCIOFEUVEEMH-UHFFFAOYSA-N 346.791 4.300 0 40 EIAB O=C1NC(=O)/C(=C\c2ccccc2Oc2ccc(F)c(F)c2)S1 4050229 PSOBQTLPAISQGD-VGOFMYFVSA-N 333.315 4.081 0 40 EIAB CCOC(=O)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 4120491 RCMWVWVZLFUSTL-UHFFFAOYSA-N 333.240 4.055 0 40 EIAB Clc1ccc(CSc2nnc([C@@H]3CCCN3)o2)cc1Cl 4295622 FOZKVQYIRKDVEM-NSHDSACASA-N 330.240 4.093 0 40 EIAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 5622418 WDASPHOWCMDHSK-JTQLQIEISA-N 326.343 4.220 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1C(C)=O 6832403 WEFLXQYBCQUDCB-UHFFFAOYSA-N 341.407 4.086 0 40 EIAB Cc1ccc(NC(=O)CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 6937493 MURRQGFSBFFSHJ-GSQFEDNKSA-N 340.511 4.436 0 40 EIAB Cc1nnc(COC(=O)c2sc3cc(Cl)ccc3c2Cl)o1 7653350 FFMXSOHYRVKNPI-UHFFFAOYSA-N 343.191 4.257 0 40 EIAB Cc1ccc(OCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 7661109 XSSZEULSAQYFKF-UHFFFAOYSA-N 338.835 4.153 0 40 EIAB Oc1cccc2ccc(/C=C/c3c(Cl)nc4sccn34)nc12 7713113 HNWAYVBCHQHDQN-VOTSOKGWSA-N 327.796 4.473 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Nc2cccc3ncccc23)n1 9481402 VPEMTFTUMWPYHG-UHFFFAOYSA-N 344.827 4.043 0 40 EIAB COc1ccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 10542241 DFUMBLZBDJYWOM-UHFFFAOYSA-N 325.452 4.355 0 40 EIAB C[C@@H]1CCCCN1CCCNC(=O)Nc1cccc2ccccc12 11005168 VZVYKLMXWBVAQI-MRXNPFEDSA-N 325.456 4.226 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1 11613846 ADPJWDSBSHQBEJ-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2ccccc2)cc(C)c1Cl 14398638 OBTFYRXYFALWGH-OAHLLOKOSA-N 331.843 4.383 0 40 EIAB CCOc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1OC 15949272 UXDRELRBGLHMPF-UHFFFAOYSA-N 325.836 4.056 0 40 EIAB O=C(NCCc1cccs1)c1cc(Br)ccc1Cl 17909555 VZRKTPONNAKGIX-UHFFFAOYSA-N 344.661 4.137 0 40 EIAB CCOc1ccc(-c2cc(=O)n(Cc3ccccc3Cl)cn2)cc1 22605301 OMNKUUGMWCNLBG-UHFFFAOYSA-N 340.810 4.011 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)cc1F 23786490 MSEYSIHWSAIKDA-HEWZJLJBSA-N 331.412 4.273 0 40 EIAB CCCn1c(S[C@@H](c2ccccc2)c2ccccc2C)n[nH]c1=O 28188111 GZPCWWSGXRTSHM-KRWDZBQOSA-N 339.464 4.172 0 40 EIAB O=C(CCSCc1nc(-c2cccs2)no1)Nc1ccccc1 32778892 DVKUFVOGSCQAAY-UHFFFAOYSA-N 345.449 4.060 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cl)cc1OC 32895161 PENQEIBSPYLKQI-MRXNPFEDSA-N 345.826 4.335 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)cc1OC 32895165 RNYGKDRRKKOFNP-MRXNPFEDSA-N 345.826 4.335 0 40 EIAB CON(C)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 36037244 JKXPAULBEFFXNR-UHFFFAOYSA-N 344.461 4.222 0 40 EIAB Fc1cc(F)c2c(c1)CCCN2Cc1nc(-c2cccs2)no1 36754158 BZCFYDJJLYUPPU-UHFFFAOYSA-N 333.363 4.029 0 40 EIAB CC(C)(CO)[C@@H](O)C(C)(C)[C@H]1Nc2ccccc2-c2ccccc21 38337880 WDDNCWFDWZLAAL-RBUKOAKNSA-N 325.452 4.226 0 40 EIAB O=C(NC1CCCC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 42622628 CGGWNQUMHNYKGP-HUUCEWRRSA-N 326.465 4.405 0 40 EIAB COc1cc(C)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 54363364 BTPZAEUSDIYMJH-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cc1nc(S[C@@H](C)c2cccc3ccccc23)sc1CC(N)=O 58159993 KARKZVVTOPWETK-LBPRGKRZSA-N 342.489 4.486 0 40 EIAB CC(=O)c1cc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)n(C)c1 58358162 GQOZXNWPKNQIGB-UHFFFAOYSA-N 348.402 4.297 0 40 EIAB CC(=O)c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1 60991865 POMPSRZDHCKAQD-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB Cc1ccnn1-c1cccc(NC(=O)c2csc3c2CCCC3)c1 65476610 GHYUHHMBELUEHY-UHFFFAOYSA-N 337.448 4.373 0 40 EIAB Cc1c(C(=O)NCCc2c(F)cccc2F)sc2ccccc12 65489550 UZPGHJKJYYSRHS-UHFFFAOYSA-N 331.387 4.460 0 40 EIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 69709702 YCOXVIOYVPXCQR-UHFFFAOYSA-N 348.805 4.212 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCCC[C@H]1c1ccco1 70019839 VMAWFYHOFUAULM-HNNXBMFYSA-N 340.379 4.132 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(F)cc2Cl)c(OC)c1 71761708 IEBLFEHLPDPWRD-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB Cc1cc([C@H](C)NC(=O)c2cccnc2NC2CCCC2)c(C)o1 71911663 UEAZACIFDWRWMK-ZDUSSCGKSA-N 327.428 4.137 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72214963 XPFGMUNPFZGCQG-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CC(C)Cn1ccc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ccc21 89856723 ARVZIOZCCQCIIM-RBUKOAKNSA-N 333.435 4.435 0 40 EIAB FC(F)C(F)(F)C(F)(F)COc1ccc(Br)cc1 95094062 YHFNLNTXEAWQRT-UHFFFAOYSA-N 337.057 4.364 0 40 EIAB C[C@@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(F)cc1F 95958777 KGGZGNROMWCXTF-GFCCVEGCSA-N 344.361 4.181 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc(Cl)cc1Cl 102326913 SCGBZCGXHBLFEM-UBHSHLNASA-N 326.267 4.478 0 40 EIAB Cc1csc(C2=C(O)CN(c3cccc(C(F)(F)F)c3)C2=N)n1 102742217 PQUSSPMRMCBUTI-UHFFFAOYSA-N 339.342 4.237 0 40 EIAB O/N=c1\oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 103465372 RJCPRRWHWXOPMI-VZCXRCSSSA-N 325.408 4.239 0 40 EIAB COCc1cc(F)ccc1NC(=O)Nc1cnn(C2CCCC2)c1C 194029319 RWCLFBQHOBVZNC-UHFFFAOYSA-N 346.406 4.236 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1cc2ccccc2[nH]1 206946134 NNPWFBKBOBYYGY-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB CCOC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 216791410 HATUZBRYKOFNTP-UHFFFAOYSA-N 346.180 4.434 0 40 EIAB CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(OC)c(C)c1 223255318 GTVXOTWWEZDARP-LJQANCHMSA-N 341.451 4.430 0 40 EIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccccc1C 224376089 HHAAWAYOQNDXTO-UHFFFAOYSA-N 341.451 4.455 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(Cl)cc1 224465604 MTEGHBNHEIRXEH-GOSISDBHSA-N 345.870 4.473 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=O)CCc1ccc(C)c(C)c1 224971161 SIJJPAGGPNMILL-FQEVSTJZSA-N 330.516 4.007 0 40 EIAB Cc1ccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224989432 OGBCQFFKXXWHFC-UHFFFAOYSA-N 347.842 4.001 0 40 EIAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(Cl)cc1 225452597 MDZKKUNAPJTGEC-UHFFFAOYSA-N 342.855 4.012 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225655974 ULDCBUKIGORUNR-UHFFFAOYSA-N 343.423 4.397 0 40 EIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cccc2ccccc12 225744343 ZACQLJOMCZTSOL-UHFFFAOYSA-N 342.398 4.102 0 40 EIAB O=C(CCc1ccccc1F)NCc1cccnc1-c1cccs1 225760288 CASKOSYEIPARLH-UHFFFAOYSA-N 340.423 4.198 0 40 EIAB S=C(Nc1ccccc1Cl)NC1(c2ccncc2)CCCC1 225844159 UHRZQYUCENIMKW-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB Cc1cc(N2c3ccc(C(=O)O)cc3C[C@@H]2C)nc(-c2ccccc2)n1 226105570 HHRVYXHYZDLPIX-AWEZNQCLSA-N 345.402 4.233 0 40 EIAB COc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c(OC)c1 228954048 IWRUZHRPQYDZQS-UHFFFAOYSA-N 344.411 4.480 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 243758557 QAKNENDGDCXUKE-DSRCVFDASA-N 341.480 4.068 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 253472008 HTVDYJPBBHYIOG-GFCCVEGCSA-N 343.810 4.456 0 40 EIAB FC(F)(F)c1nc2c(Br)ccc(C(F)(F)F)c2[nH]1 258833767 LTSLSIIWOOBLQJ-UHFFFAOYSA-N 333.029 4.363 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cccs1 585147858 DMNIJMPQFMPMRG-JTQLQIEISA-N 335.475 4.002 0 40 EIAB CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1F 606235168 UUOLACFXEBEJED-CQSZACIVSA-N 341.304 4.447 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C[C@@H]1COc2ccccc2O1 1652826230 QIEIHPOXJKTZHA-CYBMUJFWSA-N 338.234 4.265 0 40 EIAB Clc1ccc2nc(N3CCC[C@@H](COc4ccncc4)C3)oc2c1 2070389667 UZSSDIGJQOYBPR-CYBMUJFWSA-N 343.814 4.172 0 40 EIAB CCOc1ccccc1C(=O)N(Cc1ccccc1)c1ccccn1 226553 KAKOQEQUIPZRQD-UHFFFAOYSA-N 332.403 4.327 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)C2CCCC2)CSC3)c1C 425774 FRXIZOPSKWPOCM-UHFFFAOYSA-N 341.480 4.365 0 40 EIAB COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1O 818078 FOODDPCBOMIZIC-HXUWFJFHSA-N 335.407 4.162 0 40 EIAB CC(=O)Oc1ccc2ccccc2c1CN(Cc1ccccc1)C(C)=O 1679498 HBVUZSJZPAOEKM-UHFFFAOYSA-N 347.414 4.314 0 40 EIAB OCCN[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 1723741 DUJIUZARXIXFNP-OAHLLOKOSA-N 328.626 4.299 0 40 EIAB in-vitro Cc1cc(C)cc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1 3188990 AHVJADRSKAMLKX-UHFFFAOYSA-N 329.240 4.275 0 40 EIAB biogenic C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCCC1 3211540 GCGQKWVEEUIHKE-WMLDXEAASA-N 329.469 4.095 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3524148 BWLIHTQBWMOURY-LBPRGKRZSA-N 339.313 4.300 0 40 EIAB CCCCNC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 3604080 FQNQVUAOLWGCDJ-UHFFFAOYSA-N 341.238 4.145 0 40 EIAB CC(C)CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 3912442 MEBRMANDNCDXRT-UHFFFAOYSA-N 335.860 4.257 0 40 EIAB Cc1cc(/C=C\c2ccc3ccccc3[n+]2C)c(O)c2ncccc12 4900398 XYXWONIIBOFXMZ-UHFFFAOYSA-O 327.407 4.397 0 40 EIAB CCc1ccc(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)cc1 5537516 JYEJOTIKSFMWJU-UHFFFAOYSA-N 349.386 4.252 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1Cl 5969217 AOCMLMMKTSSLDW-UHFFFAOYSA-N 328.843 4.497 0 40 EIAB COc1ccccc1C(=O)CSc1nnc(C2CCCCC2)o1 6374048 AATUJVGGFCFGDX-UHFFFAOYSA-N 332.425 4.101 0 40 EIAB Cc1ccc(-c2nnc3n2N=C(c2cc4ccccc4o2)CS3)cc1 6937766 OKJSPIZQNXLTNE-UHFFFAOYSA-N 346.415 4.358 0 40 EIAB Cc1nnc(SCC(=O)c2ccccc2F)n1C1CCCCC1 6944340 RICOKEHWKHNPPO-UHFFFAOYSA-N 333.432 4.206 0 40 EIAB C[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cccs1 7138997 FMDSSIDPMOLGOP-MRVPVSSYSA-N 333.463 4.163 0 40 EIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl 7338420 ZUHZIOINNVPDDV-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB COc1ccccc1CC(=O)N(c1ccccc1)c1nc(C)cs1 7688841 ZTSKBUNTSHQGGE-UHFFFAOYSA-N 338.432 4.368 0 40 EIAB C[C@H](NC(=O)CN(C)Cc1ccc2ccccc2c1)c1ccccc1 8127464 PEKLXDGXGKPRLA-KRWDZBQOSA-N 332.447 4.149 0 40 EIAB COc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1OC 8131121 IUITXQHUCFQXRE-UHFFFAOYSA-N 341.451 4.274 0 40 EIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3cccnc3)c(C)c12 12526498 YCKXBXLICHVZGK-UHFFFAOYSA-N 340.452 4.253 0 40 EIAB CC(C)Oc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 13071470 BYCWKOSESQZPSG-UHFFFAOYSA-N 347.842 4.278 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1 17970765 UHEKSQQOBLTDQL-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1 20452439 FSZNSLQDCUQITK-KRWDZBQOSA-N 328.500 4.181 0 40 EIAB Cc1ccc(-n2ncc(C(=O)NC[C@@H](C)c3ccccc3)c2C)cc1 24759494 VHESZXQEYORZME-MRXNPFEDSA-N 333.435 4.023 0 40 EIAB Cc1ccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1F 24836292 SDIIGLPFBKDCGV-QGZVFWFLSA-N 325.387 4.138 0 40 EIAB CC(=O)NCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)s1 25317984 NSPPZFQNBZFKID-UHFFFAOYSA-N 347.440 4.390 0 40 EIAB COc1ccc(SCC(=O)NCCCc2ccccc2Cl)cc1 30755680 IIDUBBXMMGPDNS-UHFFFAOYSA-N 349.883 4.190 0 40 EIAB CCCCOc1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12 31903894 WKKOYQUVHFNGID-UHFFFAOYSA-N 347.480 4.240 0 40 EIAB Cc1cccc(-c2noc(CN3CC=C(c4ccc(O)cc4)CC3)n2)c1 32923759 AZIXGDUAXVHMQQ-UHFFFAOYSA-N 347.418 4.040 0 40 EIAB COc1cccc(CNC(=O)c2ccccc2SC(F)(F)F)c1 36394019 KZQFDZBDDRLCTJ-UHFFFAOYSA-N 341.354 4.237 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N3c4ccccc4C[C@H]3C)sc2n1 39549151 HMRRATXXKYWECZ-SNVBAGLBSA-N 337.448 4.208 0 40 EIAB CC(C)(C)[C@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 40155742 LDMLFYPZKVFUHB-LJQANCHMSA-N 342.508 4.010 0 40 EIAB NNc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1 57327638 KZQLEBSIEYESKT-UHFFFAOYSA-N 346.559 4.017 0 40 EIAB COc1cccc2cc(CC(=O)c3cccc4ccccc34)c(=O)oc12 59474352 MKPDHYRKEQDFIY-UHFFFAOYSA-N 344.366 4.380 0 40 EIAB CSc1nccn1-c1cccc(C(=O)N(C)C2CCCCCC2)c1 69351537 WVRPXXZBIYVOEX-UHFFFAOYSA-N 343.496 4.389 0 40 EIAB O=C(C1CC1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 71911467 BSTMQLWKTCCDHF-HNNXBMFYSA-N 349.356 4.169 0 40 EIAB Cc1ccc([S@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)cc1C 84180912 RIICPXYYCDDLGU-QHCPKHFHSA-N 346.839 4.315 0 40 EIAB CC(C)[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 95422717 HAKFTDFJQANIPA-BEFAXECRSA-N 339.439 4.086 0 40 EIAB OC1=Nc2ncn(-c3ccccc3)c2[C@H](c2ccc(O)cc2)SC1 95473718 OQOFVQKACZAHPC-KRWDZBQOSA-N 337.404 4.002 0 40 EIAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCCOC(C)(C)C 95992783 FSCKSJUCWQLJAG-HOTGVXAUSA-N 346.515 4.340 0 40 EIAB Cc1csc([C@H](NC(=O)Nc2cccc3[nH]ccc23)C2CC2)n1 96434452 WAUMXPYBQPCCHZ-OAHLLOKOSA-N 326.425 4.206 0 40 EIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCc1ccco1 97021716 QFTDOCVJXSNQPR-CYBMUJFWSA-N 335.473 4.113 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 113970122 YQOXSGWPBVTBRB-FQEVSTJZSA-N 341.451 4.176 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 113970213 XSWLFDLJWFKSGA-QFBILLFUSA-N 341.451 4.347 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1 206757278 BKKVXMZECTVOBL-PBWFPOADSA-N 329.387 4.204 0 40 EIAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 222654225 GGQZZMMAGJZDNM-GOSISDBHSA-N 339.435 4.232 0 40 EIAB Cc1ccc(C)c(OCCNC(=S)Nc2ccc(Cl)cc2)c1 224051241 CTQHXFJAQZJVIR-UHFFFAOYSA-N 334.872 4.322 0 40 EIAB COCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 224426324 CUUCQYSXQGWSMW-MRXNPFEDSA-N 327.424 4.164 0 40 EIAB O=C(CCc1cccc2ccccc12)NCCOCc1ccccc1 224939811 LVFHWTBVPTUOQT-UHFFFAOYSA-N 333.431 4.105 0 40 EIAB O=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccco1 225380348 DROUTQIRMHFAJZ-UHFFFAOYSA-N 326.223 4.268 0 40 EIAB COC(=O)c1cccc(NC(=S)NC2(C(C)C)CCCC2)c1C 225859019 NNXYJEQKGIRCLY-UHFFFAOYSA-N 334.485 4.037 0 40 EIAB Brc1ccccc1CN1[C@H]2CC[C@H]1CC(n1cccn1)C2 1776009541 HMVRMARDCJKOSV-GJZGRUSLSA-N 346.272 4.014 0 40 EIAB COc1ccc2nc(SCC(=O)N3CCCC[C@@H]3C)c(C)cc2c1 418686 QKSQALRQAXMYHH-AWEZNQCLSA-N 344.480 4.045 0 40 EIAB Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 430361 PXMYMSKBGFJVEF-XNTDXEJSSA-N 342.192 4.102 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 568899 QIHZTDSKXYSKKH-YEVHIBAUSA-N 327.468 4.418 0 40 EIAB CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccccc2)c2ccccc12 817608 VHPAPAPWLCPXSK-UHFFFAOYSA-N 348.446 4.187 0 40 EIAB CC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl 3346186 NSJRGEXMKQHREU-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB Cc1ccc(C)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 3467577 CQJACOODJMREAO-UHFFFAOYSA-N 343.732 4.020 0 40 EIAB FC(F)(F)c1nc(NCCc2ccccc2)nc2c1CCCCC2 3896200 PSDGEBFYKLQYIH-UHFFFAOYSA-N 335.373 4.419 0 40 EIAB Cc1cccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)c1 4120601 FOZUWOUSWOJTNB-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccs2)N3)C1 4554036 XSULAHMHIMBIKB-CQSZACIVSA-N 333.482 4.005 0 40 EIAB O=C(O)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 5332639 SVBZXLRKUYAOHJ-UHFFFAOYSA-N 325.393 4.012 0 40 EIAB Cc1c(C(=O)Nc2nonc2-c2ccccc2)oc2ccc(F)cc12 5353233 PVZDAAUCAPACRZ-UHFFFAOYSA-N 337.310 4.183 0 40 EIAB Cc1csc(NC(=O)COc2ccccc2Cc2ccccc2)n1 6839653 XSEHMJASLTZXEO-UHFFFAOYSA-N 338.432 4.060 0 40 EIAB Cc1nnc(S[C@H](C)C(=O)Nc2cccc3ccccc23)s1 7192904 CYQDUAYJLFAAIP-SNVBAGLBSA-N 329.450 4.119 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccc4ccccc4c3)c(=O)oc12 8766935 OUOFFPVTQMOZFE-UHFFFAOYSA-N 345.354 4.207 0 40 EIAB C[C@@H]1C(=O)N(Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 8945560 MVHUDHSQZITCRF-LLVKDONJSA-N 349.217 4.351 0 40 EIAB CC(C)[C@H](NC(=O)c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1 12627557 GJYOIVXSJGFSNZ-INIZCTEOSA-N 345.805 4.483 0 40 EIAB CC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC(F)F 12747587 BQYPVKXOLIAARD-ZHACJKMWSA-N 331.318 4.143 0 40 EIAB CC(C)c1ccc(CN(C)CCC(=O)Nc2ccccc2F)cc1 13001839 NLULXVAGHCTHFW-UHFFFAOYSA-N 328.431 4.410 0 40 EIAB CN(C)[C@H](CNc1ncnc2sccc12)c1ccccc1Cl 14075239 QVAVLZJKPFIUOW-CQSZACIVSA-N 332.860 4.060 0 40 EIAB O=C(CCc1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1 14585979 TVOWLDYKFVEZNT-UHFFFAOYSA-N 334.347 4.253 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 20044586 LTUWMJMEICSBTL-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB CCCOc1cc2sc(NC(=O)C(C)C)nc2c2cccnc12 28291231 JZQWIDNEPPMNTP-UHFFFAOYSA-N 329.425 4.228 0 40 EIAB CNc1snc(C)c1C(=O)N[C@H](C)c1ccc2ccccc2c1 31405066 CZVALVWJUSTYGB-LLVKDONJSA-N 325.437 4.137 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)on1 32876677 FJMRFXJQXJOLDY-UHFFFAOYSA-N 327.390 4.265 0 40 EIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1 34916277 PLDYJCKHPDBRGR-KRWDZBQOSA-N 336.435 4.110 0 40 EIAB Cc1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 38848790 KGFDLAXXKWFWEA-GOSISDBHSA-N 336.479 4.157 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 39772197 OUOFAGLGIUQVTD-UHFFFAOYSA-N 344.405 4.124 0 40 EIAB Cc1cc2ncn(CCCC(=O)NCCc3ccccc3C)c2cc1C 40135206 QCPYPFXWEMRVCT-UHFFFAOYSA-N 349.478 4.101 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 44884125 HQQWZKKXQABCQO-UGSOOPFHSA-N 347.842 4.383 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccccc1 44947266 JHBKEFMCVWOQGO-LJQANCHMSA-N 325.452 4.210 0 40 EIAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2ccccc2n1 47692654 LFNYDGOUWUUUGI-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB Cc1noc(C)c1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 50357766 HMUVFNGWZVVKBM-UHFFFAOYSA-N 327.211 4.263 0 40 EIAB O=C(Nc1cccc(C(=O)N2CC[C@@H]2c2ccccc2)c1)c1ccco1 53085885 RIMPAJIFVPWCHR-GOSISDBHSA-N 346.386 4.119 0 40 EIAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1 57508783 QFOSPGQRYDHJKR-BEFAXECRSA-N 336.460 4.454 0 40 EIAB COc1ccc(C)cc1CSc1nnc(NCC(F)(F)F)s1 57772878 DVOFENAZIISLIE-UHFFFAOYSA-N 349.403 4.122 0 40 EIAB Cc1ccc(CC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1 58138806 OSPRRYYORDFRLR-UHFFFAOYSA-N 325.799 4.015 0 40 EIAB CCCn1ccc2cc(NC(=O)NCc3ccccc3OC)ccc21 58158299 HXCPSDUINJCABE-UHFFFAOYSA-N 337.423 4.382 0 40 EIAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3C(C)C)cc12 63815558 LZRFHGMQPWFNLR-HNNXBMFYSA-N 333.501 4.323 0 40 EIAB CC(C)[C@@H](C)N(C(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CC1 67687017 YDVBGAMAECFHIE-OAHLLOKOSA-N 348.450 4.045 0 40 EIAB O=C(Nc1ccc2scnc2c1)c1ccccc1-c1cncnc1 78100009 RFPGCJRRPWHDQX-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB Cc1ccc(SC2(CN[C@H](C)c3nnc(C)o3)CCCC2)cc1 80298448 HVONBGXIEKAPOO-CQSZACIVSA-N 331.485 4.442 0 40 EIAB CN(CCCOc1ccc(Cl)cc1)c1ncnc2sccc12 83860843 VVRXTMWDEDMGDC-UHFFFAOYSA-N 333.844 4.250 0 40 EIAB OCCOc1cc(F)ccc1NCc1cc2ccccc2nc1Cl 84594814 ILAMQFDGVNJJJD-UHFFFAOYSA-N 346.789 4.011 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)N[C@@H](c1nccs1)C1CC1 89885077 FEZIHRRZMCPGEU-OAHLLOKOSA-N 345.472 4.118 0 40 EIAB C[C@H](Sc1ccccc1S(C)(=O)=O)c1nc2ccccc2o1 95993791 HZRSZLKFMLIUNA-NSHDSACASA-N 333.434 4.085 0 40 EIAB Cc1c(N[C@H](C)c2nnc(CC(C)C)o2)cnn1-c1ccccc1F 97102921 RWZAPDZDCRVGHL-GFCCVEGCSA-N 343.406 4.074 0 40 EIAB CCc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1c(OC)cccc12 102907957 HCHFJVBJNSRCJX-MGPUTAFESA-N 338.407 4.027 0 40 EIAB Cc1nc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)n[nH]1 195588724 UNZYRFUGNBQYBN-UHFFFAOYSA-N 346.434 4.231 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)s3)N21 222652111 YAQCRXBVTJKPFZ-DAXOMENPSA-N 329.494 4.431 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 222837022 SQADHULYGJOLBO-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N1CCc2ccccc21 223233857 IZGHSJDCOIWLLM-UHFFFAOYSA-N 335.831 4.302 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 223802630 APSPAMDQOZXOPW-QGZVFWFLSA-N 339.435 4.344 0 40 EIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)[nH]1 224154824 XMRKVPDDVUJGLI-OALUTQOASA-N 348.475 4.204 0 40 EIAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(F)cc1 224340114 XDVLCVQOVFTJGV-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(F)cc1 224913610 USJSIRWSNBEPJH-UHFFFAOYSA-N 327.808 4.003 0 40 EIAB Cc1ccc([C@H](NC(=S)Nc2cccnc2)c2ccccc2)cc1 225512804 FEVWTKGOEAZTDT-LJQANCHMSA-N 333.460 4.466 0 40 EIAB CC(C)Oc1ccc(NC(=S)NCCCOC2CCCC2)cc1 225620471 CCHVPHOYKJVUTC-UHFFFAOYSA-N 336.501 4.110 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 225776738 DMQMZPXNZFRERC-LBPRGKRZSA-N 341.411 4.144 0 40 EIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225794512 VUDFCPZCEBBUIS-OAHLLOKOSA-N 333.350 4.248 0 40 EIAB Cc1csc(-c2ccc(NC(=O)c3c(F)ccc(O)c3F)cc2)n1 252491810 LTZMJGJQHTVNKJ-UHFFFAOYSA-N 346.358 4.355 0 40 EIAB CCCC[C@H](CC)CNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408709658 DUAPYMNAGVQIKJ-GTPINHCMSA-N 338.536 4.040 0 40 EIAB O=C(O)c1ccc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)s1 563454568 MXKBTHMSVQTUHQ-MRXNPFEDSA-N 327.449 4.216 0 40 EIAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CCC)n1 585265589 OQBNQQOORCHIRU-UHFFFAOYSA-N 329.396 4.197 0 40 EIAB O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2cccnc2c1 1126072615 NGJHUQKKIOVEKR-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-[n+]1ccccc1 203463 FYQYEFNBKVNDON-UHFFFAOYSA-O 333.798 4.125 0 40 EIAB Cc1cc(C)c2cc(C)c(SCC(=O)NCc3ccco3)nc2c1 419217 KQRYUSJCWJWRPK-UHFFFAOYSA-N 340.448 4.162 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(F)cc1 552977 HDQXJYPBEJVKLX-XHVUQVIVSA-N 337.394 4.008 0 40 EIAB CCc1cccc(C)c1NC(=O)/C=C/c1c(OC)cccc1OC 574306 DYWZSFDNEDWKBZ-OUKQBFOZSA-N 325.408 4.227 0 40 EIAB O=C(CC[C@@](O)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 1728328 QYPUBGAJWJVFES-QHCPKHFHSA-N 344.410 4.420 0 40 EIAB COc1ccc(CCC(=O)c2ccc(Br)cc2F)cc1 2516575 JOOPCUHVEZXJRE-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB COc1ccc(OC)c2sc(NC(=O)/C=C/c3cccs3)nc12 2723957 OUCFXRVBPVVVQB-VMPITWQZSA-N 346.433 4.027 0 40 EIAB Cc1cnc(NC(=O)CSc2c(Cl)cccc2Cl)s1 3403542 CMXBLBDEIROVGW-UHFFFAOYSA-N 333.265 4.489 0 40 EIAB C=C1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 4025774 JKPFAFOFFYRBDB-ORHJNQCKSA-N 342.479 4.005 0 40 EIAB biogenic Cc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305022 DYQJVZIMUYVBNI-FQEVSTJZSA-N 346.430 4.122 0 40 EIAB CC(=O)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 4340690 NJTOFBHXTIBYPZ-UHFFFAOYSA-N 328.751 4.347 0 40 EIAB biogenic O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1ccccc1Cl 4700951 VBWIMVRMVJGEGY-UHFFFAOYSA-N 335.812 4.231 0 40 EIAB Cn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccco1 4923915 ROWUVQGLQWXAFQ-UHFFFAOYSA-N 344.421 4.084 0 40 EIAB C[C@H](NC(=O)COc1ccccc1O)c1ccc(-c2ccccc2)cc1 7986796 JEFKXLWKKWKPIQ-INIZCTEOSA-N 347.414 4.315 0 40 EIAB C[C@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C[C@H](C)O1 8078460 ZWJRXKLWRAPITF-RYUDHWBXSA-N 343.427 4.111 0 40 EIAB CC1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 8318356 VRGKGXPDPUJAKH-NSHDSACASA-N 348.796 4.418 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1C 8498595 VDBDDABFRZYRSB-IBGZPJMESA-N 343.492 4.202 0 40 EIAB COc1ccccc1Oc1ccc(NCc2ccc(C(=O)O)o2)cc1 8702226 HYBKUEQXROAUOJ-UHFFFAOYSA-N 339.347 4.391 0 40 EIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(C)noc1C 9155291 QFFVEIGHMNMVNV-UHFFFAOYSA-N 342.317 4.351 0 40 EIAB Cc1nc2ccccc2n1C[C@H](O)COc1ccccc1C(C)(C)C 12629652 LAAJXTOEXHXNLW-INIZCTEOSA-N 338.451 4.082 0 40 EIAB CCCCN(C)C(=O)c1cc(-c2cccs2)nc2c1cnn2CC 12778087 DMLCBEXSIUOUQV-UHFFFAOYSA-N 342.468 4.052 0 40 EIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC(C)CC3)c12 12791324 XBIIFYQGXFZOJM-UHFFFAOYSA-N 335.407 4.070 0 40 EIAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)c(F)c1 12797217 WHVPXWABPPGGOH-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 14209310 XFHWAQJDIAHPLG-MRXNPFEDSA-N 333.840 4.313 0 40 EIAB Cc1cccc(Nc2nn3c(=O)c4cc(Cl)ccc4nc3s2)c1 17135454 YJKNEULYWBXLSJ-UHFFFAOYSA-N 342.811 4.010 0 40 EIAB COc1ccccc1CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 17845244 MJRFSZLHXXYJEJ-UHFFFAOYSA-N 348.446 4.028 0 40 EIAB CCN(Cc1cnc(C)nc1)c1cccc(-c2cccc(OC)c2)c1 19526659 NYTSFTDISARODA-UHFFFAOYSA-N 333.435 4.487 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1 20137383 UNEWBUYBSFNRHK-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)cc1 20492255 LCUNAORBGAORJN-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(C)cc2)CC3=O)cc1 20633090 UQURQFJJQZWOPJ-QGZVFWFLSA-N 346.430 4.410 0 40 EIAB Cc1cc(NC(=O)c2ccc3nsnc3c2)ccc1Br 21156473 ZYHZZIWPCHOIOQ-UHFFFAOYSA-N 348.225 4.015 0 40 EIAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 22762811 DJZFFTXJURCEHM-MGZIPMFSSA-N 329.406 4.440 0 40 EIAB FC(F)(F)c1cnc(N2CCN(c3ccccc3)CC2)c(Cl)c1 25177800 ADJXZKMSVNZGBH-UHFFFAOYSA-N 341.764 4.080 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1ccc(F)cc1 25372602 GWRLKCGDVRLDBU-INIZCTEOSA-N 339.819 4.005 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1OC(F)F 27358663 NDAOSEDJTFDCDL-CJNGLKHVSA-N 349.377 4.323 0 40 EIAB S=c1scnn1CN1CCC[C@@H](c2nc3ccccc3s2)C1 27507028 VSWOMUCRRYQXMD-LLVKDONJSA-N 348.522 4.121 0 40 EIAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 28008665 IMWOQAPVTFAGPZ-OAHLLOKOSA-N 326.465 4.406 0 40 EIAB COc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 31663538 NJNYLZSJICFIRR-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CCCCC(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 32091802 UWHHMEHWZFRDFX-UHFFFAOYSA-N 342.424 4.297 0 40 EIAB O=C(CC1CCCCC1)Nc1cccc(NC(=O)c2ccncc2)c1 32450542 SQMUDTBELRHRJY-UHFFFAOYSA-N 337.423 4.243 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 32721159 FZCXMTCLSPQOKD-AWEZNQCLSA-N 327.424 4.404 0 40 EIAB CC(=O)Nc1ccc(SCc2noc(-c3cccs3)n2)cc1 32837605 JCMILMRPZIRWPS-UHFFFAOYSA-N 331.422 4.049 0 40 EIAB FC(F)c1cc(-c2ccc(Cl)cc2)nc(NC[C@@H]2CCCO2)n1 36614233 WTPCEXLMZAQPFH-LBPRGKRZSA-N 339.773 4.326 0 40 EIAB CC(C)c1cc(Br)ccc1OCCC1CCNCC1 42770411 NLBBFHMRNKSOBF-UHFFFAOYSA-N 326.278 4.341 0 40 EIAB C1C2CC3CC1CC(N1CCN(C45CC6CC(CC(C6)C4)C5)C1)(C2)C3 44134988 SQOGLDRNSNINTE-UHFFFAOYSA-N 340.555 4.499 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccn(-c2ccccc2)n1 44465621 XOPZEMCXRMQRAA-HNNXBMFYSA-N 337.448 4.133 0 40 EIAB CCCc1nnc(NC(=O)N(CC)[C@H](C)c2ccc(F)cc2)s1 47378537 KUTBPIVECNMMBH-LLVKDONJSA-N 336.436 4.245 0 40 EIAB Cc1sc(-c2ccsc2)nc1-c1ccc2c(c1)NC(=O)CO2 48252611 PVAJJFLNXAGSQU-UHFFFAOYSA-N 328.418 4.178 0 40 EIAB Cc1ccc2c(CNc3ccccc3-n3cccn3)cc(=O)oc2c1C 55850872 JQDQDOQFPQCFAJ-UHFFFAOYSA-N 345.402 4.208 0 40 EIAB CCN(C(=O)Nc1nnc(C)s1)[C@@H](C)c1cc2ccccc2o1 56514207 OFXZJQKPGJTOEV-JTQLQIEISA-N 330.413 4.208 0 40 EIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(C)c2C)cc1C 57510683 PXCMYBIXJSTHNR-UHFFFAOYSA-N 335.411 4.034 0 40 EIAB Cc1[nH]c2ccc(C(=O)NCCO[C@H]3CCCC[C@H]3C)cc2c1C 58370501 BWTCPMNMSJBRDK-YJYMSZOUSA-N 328.456 4.110 0 40 EIAB CNc1nc2c(s1)[C@@H](c1cccc(Br)c1)CC(O)=N2 61718784 UOSFZLMLXWXNRX-SECBINFHSA-N 338.230 4.071 0 40 EIAB C[C@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1 65565731 DSGDDHGACUVQTP-ZDUSSCGKSA-N 346.377 4.068 0 40 EIAB Clc1cccc(-c2cc(Cn3cc(-c4ccncc4)cn3)on2)c1 66089085 SMNKTLXJXGJIDX-UHFFFAOYSA-N 336.782 4.302 0 40 EIAB COc1cccc2cc([C@@H](C)NC(=O)N[C@H](C)c3nccs3)oc12 69566286 YFWIKZKAOQHTQT-GHMZBOCLSA-N 345.424 4.019 0 40 EIAB FC(F)(F)CN1CC[C@@H](NCc2cccc(-c3ccccc3)c2)C1 71845391 MBDWZUGKENPMIX-GOSISDBHSA-N 334.385 4.080 0 40 EIAB C[C@H](Nc1cccc(N2CCCCC2)c1)c1nc2ccccc2c(=O)[nH]1 71902575 CHCLWXBEXXBVET-HNNXBMFYSA-N 348.450 4.087 0 40 EIAB CC(C)n1c(CNC(=O)c2cccc3c2ccn3C)nc2ccccc21 79482536 DSYOPUSGIMRHEN-UHFFFAOYSA-N 346.434 4.039 0 40 EIAB O=C(CC1CCSCC1)N(Cc1ccccn1)c1ccc(F)cc1 84609997 YYQUAHIPKSTLPV-UHFFFAOYSA-N 344.455 4.287 0 40 EIAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@@H]1CC=CCC1 96119702 IEEWCCVETIYDGT-CQSZACIVSA-N 349.390 4.215 0 40 EIAB CCn1ccc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)n1 96183809 NNRFGVDTFZFZIX-UHFFFAOYSA-N 331.759 4.194 0 40 EIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc(O)cc2)s1 96402793 LGTBRJKPGGVDFV-IXDOHACOSA-N 327.449 4.229 0 40 EIAB COc1cccc2cc([C@H](C)N[C@H](C)Cc3c(C)noc3C)oc12 96493401 RMBHCHRJRQYDGM-YPMHNXCESA-N 328.412 4.328 0 40 EIAB CC(C)c1ccc([C@@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)cc1 102243780 IHVKWPIKEXSOOF-SFHVURJKSA-N 333.391 4.143 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2c(C)cccc2C)CC1 111501301 BYPMKBVILCXBRZ-UHFFFAOYSA-N 344.499 4.353 0 40 EIAB CN(C)c1cccc(C(=O)N2CCS[C@@H](c3cccs3)CC2)c1 219501740 NBTIBKIEJPIZHE-QGZVFWFLSA-N 346.521 4.135 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223217670 ZCPOTPLXBNXUCN-ZIAGYGMSSA-N 343.854 4.473 0 40 EIAB CCOc1ccccc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225104315 GKJXNYZBUJKSQN-LJQANCHMSA-N 342.435 4.458 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCOC2CCCC2)c1 225527857 GWGICPPIZMYFNN-QGZVFWFLSA-N 347.499 4.351 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccccc1C 225756710 MYBNFXNFDYNYGQ-MRXNPFEDSA-N 344.480 4.450 0 40 EIAB COc1ccc(C(=O)Sc2nnc(-c3ccccc3Cl)o2)cc1 408587125 QMYSYTWEWOZLNA-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB CCOC(=O)CCCC(=O)c1cccc(OCc2ccccc2)c1 575357813 RZDFUHHUUKYRMG-UHFFFAOYSA-N 326.392 4.182 0 40 EIAB Cc1ccc([C@@H]2C[C@@H](C)CCN2CCOc2ccccc2C(=O)O)o1 582730977 XOZUZVIKPQIDBZ-YOEHRIQHSA-N 343.423 4.138 0 40 EIAB CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2ccnc2)C3)cc1 1565520405 RPRXQVZDQWTMCC-ROUUACIJSA-N 337.467 4.189 0 40 EIAB Cn1cnc2cc(Nc3cc(-c4cccc(Cl)c4)ncn3)ccc21 1639543772 NLZWJSQRPRQPLU-UHFFFAOYSA-N 335.798 4.427 0 40 EIAB Cc1c(Cl)cccc1OC(=O)c1cnn(-c2ccccc2)c1C 385357 CIXLEMSPAPEIIC-UHFFFAOYSA-N 326.783 4.362 0 40 EIAB COc1ccc2nc(SCC(=O)N3CCCC[C@H]3C)c(C)cc2c1 418685 QKSQALRQAXMYHH-CQSZACIVSA-N 344.480 4.045 0 40 EIAB Cc1c(-c2ccc3c(c2)OCCO3)c(=O)oc2ccc(Cl)cc12 485472 MWAKFPHFESUSRJ-UHFFFAOYSA-N 328.751 4.193 0 40 EIAB biogenic CSc1nc(SC)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 535208 XVPZXQPNEDIPNB-SECBINFHSA-N 326.512 4.232 0 40 EIAB COc1ccc(NC(=S)N2CCCc3cc(C)ccc32)c(OC)c1 2782412 MXRRQOWZZBRDLG-UHFFFAOYSA-N 342.464 4.162 0 40 EIAB COc1nc2ccccc2c2nnc(-c3ccc(Cl)c(Cl)c3)n12 3063803 QTQRWXJZXPHKOL-UHFFFAOYSA-N 345.189 4.260 0 40 EIAB CCCCc1ccc2nc(NC(=S)NC(=O)C(C)(C)C)sc2c1 3296220 IRBJWTRDVOCHLZ-UHFFFAOYSA-N 349.525 4.498 0 40 EIAB Cc1c(O[C@@H](C)C(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 4028068 GSEOBYJTSSFFMK-AWEZNQCLSA-N 348.398 4.240 0 40 EIAB biogenic COc1ccc(-c2noc(-c3cc(Cl)ccc3OC)n2)cc1OC 4454642 ZKWNOWPZBWMLJJ-UHFFFAOYSA-N 346.770 4.083 0 40 EIAB CCc1cccc2c(C(=O)COc3ccc(-c4nnco4)cc3)c[nH]c12 5208750 XYPVAKJSVGDWQB-UHFFFAOYSA-N 347.374 4.042 0 40 EIAB Cc1cccc(C)c1NC(=O)CCC(=O)OCc1ccccc1Cl 6207628 YPEAUMQUBRHPHQ-UHFFFAOYSA-N 345.826 4.419 0 40 EIAB CCc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 6748066 VOGLRIVFOGMZDM-UHFFFAOYSA-N 335.860 4.445 0 40 EIAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccccc1 6757082 IQZXHMBODPLWFF-UHFFFAOYSA-N 329.197 4.043 0 40 EIAB COc1ccc(C(=O)OCc2ccc(C(C)C)cc2)c(OC)c1OC 7009390 GBWWLEPOXGBYQU-UHFFFAOYSA-N 344.407 4.193 0 40 EIAB Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(F)cc1 7282126 JTVRKCKZEOFNBJ-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)c1 7615823 JCEORFYGCXZTKF-INIZCTEOSA-N 347.418 4.182 0 40 EIAB COc1ccc2oc(C(=O)Nc3cccc(Br)c3)cc2c1 8166259 RTFOBRLQZOFWOX-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(F)cc1 8230897 YNCFRBNPROKTNB-VIFPVBQESA-N 333.413 4.036 0 40 EIAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(O)cc2)S1 8277544 QVAVLKOQNRMAHC-OQLLNIDSSA-N 344.823 4.246 0 40 EIAB CC1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 8318359 VRGKGXPDPUJAKH-LLVKDONJSA-N 348.796 4.418 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1F 8863065 KZSWXIURBRGMOU-SFHVURJKSA-N 346.471 4.234 0 40 EIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 9212270 IMONTRJLAWHYGT-RACICXKXSA-N 340.463 4.063 0 40 EIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 9503651 GJRWVUYCVLUMHW-SFHVURJKSA-N 340.423 4.381 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccnn1C1CCCC1 9514858 XNRGJWSWENZDTI-UHFFFAOYSA-N 336.395 4.214 0 40 EIAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(Cl)c1 10413152 SKUKPYBBHCCCFU-UHFFFAOYSA-N 348.830 4.411 0 40 EIAB CN(Cc1ccc(C(N)=O)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 11373409 WJCSORZZMVBSBA-NRFANRHFSA-N 348.421 4.146 0 40 EIAB C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 12729063 QUOHABHXMKFACW-NSHDSACASA-N 338.785 4.221 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 14116848 QKLATHKCYJZFPM-UHFFFAOYSA-N 348.402 4.113 0 40 EIAB CC(=O)c1ccccc1OCCOc1ccc(C)c2c1C(=O)C[C@@H]2C 14708230 MYKYBGBPNZRGOA-AWEZNQCLSA-N 338.403 4.345 0 40 EIAB COc1ccc(CN(C)C(=O)c2ccc3c4c(cccc24)CC3)cc1F 14777362 YVQRAUSDUZCQHA-UHFFFAOYSA-N 349.405 4.358 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 15519723 NPZMWPXCUQNCKY-LSDHHAIUSA-N 329.465 4.096 0 40 EIAB Cn1nc([C@@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21 19289497 JLZUWBNJRWTKLQ-OAHLLOKOSA-N 340.858 4.001 0 40 EIAB Cc1c(CN(CCN(C)C)Cc2cccs2)oc2ccccc12 19566315 DYOKTWPPKRHSOU-UHFFFAOYSA-N 328.481 4.367 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(C(=O)O)c2C)c1 20142153 NHKSTRGNRPGRRH-GFCCVEGCSA-N 327.380 4.123 0 40 EIAB CC(C)C(NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)C(C)C 20460487 MIIIAACAYYHYPI-KRWDZBQOSA-N 330.516 4.329 0 40 EIAB COc1ccc(CCNCc2c(Cl)cccc2Cl)cc1OC 22074326 LICFWJCZILUQPW-UHFFFAOYSA-N 340.250 4.343 0 40 EIAB CCCc1nc2ccc(NC(=O)COc3ccc(F)cc3)cc2s1 22255012 OJKPFBWUNCNVRF-UHFFFAOYSA-N 344.411 4.405 0 40 EIAB O=c1cc(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1Cl 22605013 DLNHRYVZQPUEQW-UHFFFAOYSA-N 349.192 4.405 0 40 EIAB CN(Cc1ccc(F)cc1F)C(=O)COc1ccc2ccccc2c1 22895612 QROAGPBVUTWVES-UHFFFAOYSA-N 341.357 4.155 0 40 EIAB O=C(NCCC1=CCCCC1)c1ccc(OCc2cccnc2)cc1 24538127 QJUSTZXNSVHMIU-UHFFFAOYSA-N 336.435 4.281 0 40 EIAB CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2ccccc2c1 25679391 VYXTZXFLSJBIEM-OAQYLSRUSA-N 332.447 4.101 0 40 EIAB Cc1ccsc1CNC(=O)CSCc1nc2ccccc2s1 25998574 RFZZCGGNLSLING-UHFFFAOYSA-N 348.518 4.216 0 40 EIAB CSc1ccc(CN[C@H](c2ccc(F)cc2)c2nccn2C)cc1 30644419 YMXLZPRLOCGPSR-GOSISDBHSA-N 341.455 4.160 0 40 EIAB Fc1cc(CSc2nnc(NC3CC3)s2)c2ncccc2c1 31617202 RLKNOVISXYNOMM-UHFFFAOYSA-N 332.429 4.092 0 40 EIAB O=C(CCCc1nc2ccccc2o1)NCc1ccccc1Cl 31813760 CJQGIYROYMHSBE-UHFFFAOYSA-N 328.799 4.120 0 40 EIAB O=C(NCc1ccccn1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 32152719 VLEPRXDSIPSVSW-WVKNIADZSA-N 346.474 4.236 0 40 EIAB COc1cccc(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c1 32721218 COSQTXYPWQIQTO-UHFFFAOYSA-N 337.423 4.050 0 40 EIAB Cn1ncc2c(SCc3ccccc3Oc3ccccc3)ncnc21 32883940 HKSIZPBTSAEKLU-UHFFFAOYSA-N 348.431 4.448 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CCOc2cccc(Cl)c2)cc1 32919230 PLKIWNOHGNCRQG-CQSZACIVSA-N 347.842 4.385 0 40 EIAB COc1ccccc1OCCNC(=O)c1ccccc1SC(C)C 45476702 YUCIHUWUIPJYRU-UHFFFAOYSA-N 345.464 4.005 0 40 EIAB C[C@H]1CCCN(c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)C1 58358079 JZVDLPHZNJGSHH-AWEZNQCLSA-N 341.480 4.173 0 40 EIAB Cc1cccc(C)c1-n1nnnc1S[C@H]1CCCc2ccccc21 58377203 AOWGFDNDKZNZSR-KRWDZBQOSA-N 336.464 4.449 0 40 EIAB CCOC1CCN(C(=O)N[C@@H](C)c2oc3ccc(F)cc3c2C)CC1 69571300 RXTIVTMNHYKCPP-ZDUSSCGKSA-N 348.418 4.152 0 40 EIAB CC(C)(C)OC(=O)Nc1cc(NC(=O)NCc2ccco2)ccc1F 69814471 JENIVKJAUWMOHC-UHFFFAOYSA-N 349.362 4.087 0 40 EIAB Cc1ccc(C(=O)Nc2cc(N3CCCC3)c(N)cc2Cl)cc1 72229051 BXIBPPKIONHZNH-UHFFFAOYSA-N 329.831 4.083 0 40 EIAB CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC1 95957029 FQCWLGBKMSDMSW-GFCCVEGCSA-N 331.847 4.379 0 40 EIAB Cc1nnc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3)cc2)o1 96165241 WCPVLXYIQDFSFU-UHFFFAOYSA-N 349.434 4.187 0 40 EIAB CC[C@H](C)CN(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 96407987 MGLULQODDPTCIQ-LFVRLGFBSA-N 338.517 4.244 0 40 EIAB CN(C)c1cccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)c1 211080400 LRDOHYJZIJPHLL-SFHVURJKSA-N 340.442 4.302 0 40 EIAB CCOc1cc(C=O)ccc1OCCCCN1C[C@H](C)C[C@@H](C)C1 217799364 VRJPPWFPVGSCAS-IAGOWNOFSA-N 333.472 4.035 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)cc1F 223308185 NYYBRQJJZVMHSP-LBPRGKRZSA-N 331.362 4.250 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCOc1cccc(C)c1C 223946218 USWCAISKBDUWGF-UHFFFAOYSA-N 349.430 4.274 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)c1C 224472843 ZIRQDXQMCZKICE-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC1CCCCC1 225437145 HEJZWXGVBIFWIL-NSHDSACASA-N 348.830 4.111 0 40 EIAB biogenic,in-vitro COc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1C 225995142 YBNVEBVATWIDKN-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CC(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl 226287396 LIYKPAJMOBJRRA-UHFFFAOYSA-N 328.799 4.095 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 606422309 JHZGTCHZUVCWTA-ZPFDUUQYSA-N 348.295 4.096 0 40 EIAB COc1cc2[nH]c(=S)nc(Nc3cccc(C)c3)c2cc1OC 429304 CYQSHKXJFDVROA-UHFFFAOYSA-N 327.409 4.362 0 40 EIAB Clc1ccc2c(c1)CNc1c(NCc3ccccc3)ncnc1O2 507733 IWPKXXZJCMNOEG-UHFFFAOYSA-N 338.798 4.460 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)NCCCc1ccccc1 3432707 AMDOPSJBVYYFRL-UHFFFAOYSA-N 345.442 4.481 0 40 EIAB Nn1c(SCc2ccc(F)cc2Cl)nnc1C1CCCCC1 3449187 MXXVJNWAOFKKAW-UHFFFAOYSA-N 340.855 4.124 0 40 EIAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 4525561 IHIULIUAYBBVFZ-PSLIRLAXSA-N 332.856 4.380 0 40 EIAB Cc1ccc(C(=O)COC(=O)c2cc(C)nc3ccccc23)c(C)c1 5356329 LFLXYXPPMJBOON-UHFFFAOYSA-N 333.387 4.200 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1C 5558505 MJBCCLUJTGXTQY-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COc1ccc([C@H]2CN(C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1Cl 5698936 GTKAIZJKINJBJB-CVEARBPZSA-N 347.817 4.016 0 40 EIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 5859336 VPUMUROMFJWRAN-UHFFFAOYSA-N 347.361 4.058 0 40 EIAB CSc1ccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 6314462 RLRJZFJTMDNWDY-UHFFFAOYSA-N 349.521 4.154 0 40 EIAB CCCCSC1=N[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N1 6665806 XHDLIODWWAHNBL-INIZCTEOSA-N 332.469 4.057 0 40 EIAB Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1 7192538 WQXQLYOVLVAVFA-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9421096 PDNKWZNAHZCVBJ-MRXNPFEDSA-N 325.799 4.194 0 40 EIAB COc1ccc2cc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)ccc2c1 9935980 OIVQWLVFGDQTOM-MRXNPFEDSA-N 349.430 4.241 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCc3nccn3C(F)F)o2)c1 12531879 NOCSMWDFFXOTKJ-UHFFFAOYSA-N 336.367 4.237 0 40 EIAB CC(=O)NCc1ccc(-c2csc(Nc3cccc(C)c3)n2)o1 12543956 UOCXATWKCAHOQU-UHFFFAOYSA-N 327.409 4.091 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)c1 12558846 WOYBAZMRDPNABS-QGZVFWFLSA-N 337.467 4.424 0 40 EIAB CSc1ccc(CN(C)CC(=O)Nc2ccccc2Cl)cc1 13095686 OANXKNCNSAVXCF-UHFFFAOYSA-N 334.872 4.132 0 40 EIAB CCn1c(=O)c(CNc2ccc(O)cc2C)cc2cc(C)c(C)cc21 13564216 DEXDDERDMFRKNN-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB CC1CCC(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 14232158 CGIFUTPUOMIOQS-UHFFFAOYSA-N 340.471 4.198 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1 14396377 FFTIMSAIFPKBMC-CABCVRRESA-N 331.843 4.245 0 40 EIAB CCCCN(C)C(=O)c1sc2nc(-c3ccccc3)cn2c1C 16740395 PUTGXODVHYEORP-UHFFFAOYSA-N 327.453 4.243 0 40 EIAB CSc1ccccc1C(=O)NCCSCc1ccc(C)cc1 18202046 QYBVAGWPOLKEGT-UHFFFAOYSA-N 331.506 4.380 0 40 EIAB CC(C)OC(=O)c1ccc(-c2ccc(Br)cc2F)o1 20160053 JYFWDFWSGJURSY-UHFFFAOYSA-N 327.149 4.413 0 40 EIAB O=C(Nc1c(F)cccc1F)c1cc(F)ccc1Br 20307058 IEVLUSJSVIXXGX-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CSc2ccc(C)cc2)cc1 20454301 UAIYVHIMXFSYIS-OAHLLOKOSA-N 329.465 4.363 0 40 EIAB Cc1cccnc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 21935057 LWJASZWKJSCHGV-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1C 22072496 CSAOURSJIPAGBO-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB COc1ccccc1NC(=O)c1cc(C)n(Cc2ccccc2)c1C 27028177 UUVKHARMQNBDGN-UHFFFAOYSA-N 334.419 4.414 0 40 EIAB CN(C(=O)c1ccc(Br)s1)[C@H]1CCc2ccccc21 27819376 ODMSQTIOQJXZDU-LBPRGKRZSA-N 336.254 4.270 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccc(F)cc2)no1 27990024 MJBOSCISKVIUOH-UHFFFAOYSA-N 346.745 4.152 0 40 EIAB CSc1ccc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 30644416 YMXLZPRLOCGPSR-SFHVURJKSA-N 341.455 4.160 0 40 EIAB CC(=O)Nc1cccc(-n2c(C)nnc2SCC2CCCCC2)c1 32778978 WJURFTRLODTQJR-UHFFFAOYSA-N 344.484 4.207 0 40 EIAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1cccs1 32843806 DKLKWAIRAXOSIO-UHFFFAOYSA-N 343.279 4.439 0 40 EIAB Nc1nc2c(s1)[C@H](c1ccccc1OC1CCCC1)CC(O)=N2 36366035 QLPWADIVAWCMJQ-LBPRGKRZSA-N 329.425 4.170 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1 36620524 ZYUPLTORWWRSRM-IBGZPJMESA-N 347.455 4.475 0 40 EIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1CCCCC1 40119743 IKEQCXMYPODBCJ-UHFFFAOYSA-N 345.874 4.134 0 40 EIAB CC(C)Sc1ncccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 40153823 QJEDVAGTTCAENR-UHFFFAOYSA-N 338.436 4.225 0 40 EIAB COc1cc2c(cc1NC(=O)C[C@H]1CCCO1)oc1ccccc12 42200819 OHOKVOGCGOTTKI-GFCCVEGCSA-N 325.364 4.102 0 40 EIAB O=C(c1c(F)cccc1F)N(Cc1ccsc1)Cc1ccco1 42382006 NXWQYRPMHDCFAR-UHFFFAOYSA-N 333.359 4.462 0 40 EIAB O=C(Nc1cccs1)N(Cc1ccsc1)Cc1ccccn1 44446185 SNQFBHHIDKKLBV-UHFFFAOYSA-N 329.450 4.439 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc(N)cc2C)c1 45890196 AYNBOPSPNUEAFG-UHFFFAOYSA-N 326.440 4.335 0 40 EIAB Cc1cc(CN(C)C(=O)c2ccc3noc(-c4ccccc4)c3c2)no1 48156929 OVAWSDCWDWWVHX-UHFFFAOYSA-N 347.374 4.063 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccco2)cc1 53235723 CRKMHHFVPUWYOF-GOSISDBHSA-N 328.412 4.115 0 40 EIAB Cc1cccn2cc(-c3ccc(NC(=O)CC[C@H]4CCCO4)cc3)nc12 53837721 KWWQMCLDWMXGJM-GOSISDBHSA-N 349.434 4.207 0 40 EIAB CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 58153138 DCMDHHAIYYZFAG-WMZOPIPTSA-N 332.488 4.232 0 40 EIAB Cc1nnc(-c2ccccc2NC(=O)CCSc2ccccc2)o1 58182683 YKACFJVSYUFUHA-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB CCCn1ncc(-c2ccnc(N[C@@H](CC)c3ccncc3)n2)c1C 63834622 QJHJMUSHQBUFBD-KRWDZBQOSA-N 336.443 4.017 0 40 EIAB CC(C)c1ccc([C@H](C)NCc2cn(C)nc2-c2cccnc2)cc1 65473735 UHMJSNVTZOBJDD-INIZCTEOSA-N 334.467 4.456 0 40 EIAB Clc1ccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)cc1 71889758 WJLNHOHNBPJODZ-UHFFFAOYSA-N 340.810 4.487 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 71909313 KHSXHPBCGWIHGS-HSZRJFAPSA-N 329.465 4.120 0 40 EIAB COc1ccc(OC)c(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)c1 71977620 BHEMTFCXZQABTF-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB CC(C)c1nc([C@@H]2CCCN2C(=O)CC/C=C/c2ccccc2)no1 76044470 FBMVEZFFGAGQAM-CEUCYRDJSA-N 339.439 4.350 0 40 EIAB Cc1ccc(N(Cc2ccccc2)Cc2cccc(C(N)=O)c2)cc1 84150444 JFOUEBDAPNWSEN-UHFFFAOYSA-N 330.431 4.301 0 40 EIAB CC(=O)N(Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1)C(C)C 84597274 GEODWIMEEBZWSN-UHFFFAOYSA-N 349.434 4.177 0 40 EIAB C[C@H](NCc1ccc([S@@](C)=O)cc1)c1csc2ccccc12 85313459 GIJUIGHJKVNOFQ-XMHCIUCPSA-N 329.490 4.490 0 40 EIAB CCc1oc2ccccc2c1CN1CCC[C@@H](c2nc(C)no2)C1 91832665 LVGPLCRCXHSPAE-CQSZACIVSA-N 325.412 4.066 0 40 EIAB O=C(c1cc2c(s1)CCCCCC2)N1CCc2ccc(O)cc2C1 95356882 LIRQDBPOWCWEMQ-UHFFFAOYSA-N 341.476 4.311 0 40 EIAB CCn1cc(NC(=O)Nc2cccc(C3SCCS3)c2)cn1 95367748 JWSLSSMLRAFKMI-UHFFFAOYSA-N 334.470 4.026 0 40 EIAB CC[C@H](NC(=O)c1cccc(-c2nnco2)c1)c1ccc(Cl)cc1 95467408 CVROMCSSUUPTIW-INIZCTEOSA-N 341.798 4.271 0 40 EIAB CO[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C[C@@H]1Cc1ccccc1 96110189 RGHDABTVRVPXGP-RBUKOAKNSA-N 349.430 4.153 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3c(C)cccc3C(C)C)C(=O)[C@H]21 102602713 DAVJIYRGNCDSPN-PSBWJHGTSA-N 335.447 4.376 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)NCC[C@H]3C[C@H]4CC[C@H]3C4)sc2n1 107336393 QGBUABGUAIAJDQ-KKUMJFAQSA-N 343.496 4.173 0 40 EIAB COc1ccc2cc(C(=O)N[C@H](C)CCc3ccccc3)c(C)nc2c1 138221551 NSGNGYHKUVPGCM-OAHLLOKOSA-N 348.446 4.303 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc(-c2cccc(F)c2)nc1 222623021 IRAXOYLLPKBJLZ-UHFFFAOYSA-N 345.736 4.328 0 40 EIAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(C)c1)CC(C)(C)O2 222696374 UAFBYUYCOKGUBG-GOSISDBHSA-N 339.435 4.344 0 40 EIAB CC(C)Oc1ccc(NC(=S)NCCCN2CCCCCC2)cc1 225400955 HRMVCGLUACVLNP-UHFFFAOYSA-N 349.544 4.026 0 40 EIAB COc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225543239 IOLYFJOBANUVBF-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CC[C@H](C)NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225830649 MSSPNHYQBOSTCL-HNNXBMFYSA-N 349.434 4.251 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039956 TVMYDTQGSOJJLM-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CCOc1cc(NC(=O)c2ccc(CC)cc2)cc2sc(N)nc12 226309860 BABOSENLGRPZSR-UHFFFAOYSA-N 341.436 4.092 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@@H]3CCC[C@@H](C)C3)no2)C1 390833113 CFKJAJQYJDHQNB-QXSJWSMHSA-N 333.476 4.115 0 40 EIAB CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(C)ccc21 408713431 YNKJKDLLZIZHJB-UHFFFAOYSA-N 340.467 4.173 0 40 EIAB Cc1cccc(NCN2C(=O)c3cccc4cccc(c34)C2=O)c1C 408723707 BUQUGUNUONLIRJ-UHFFFAOYSA-N 330.387 4.122 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 1136294969 SFPVSXKIJJKJMJ-HNAYVOBHSA-N 338.455 4.048 0 40 EIAB COc1cc(CCNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1Cl 1564539312 WHWXWAVGJIWRRT-KCQAQPDRSA-N 338.879 4.015 0 40 EIAB Cc1c(NC(=O)c2ccc(N3CCC(C)CC3)cc2)n[nH]c1C1CC1 1611530537 YCPDCNVWIVICKT-UHFFFAOYSA-N 338.455 4.084 0 40 EIAB O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc(F)cc1 31599 JYBSSVSXGBSQKN-UHFFFAOYSA-N 347.389 4.181 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)cc1 108543 YZFUQKPOIQMEOT-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)cc1 531598 BXHHZNKAJPTJDL-UHFFFAOYSA-N 348.834 4.052 0 40 EIAB OCCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773042 ZYHYKNXGKZUOEX-UHFFFAOYSA-N 334.206 4.008 0 40 EIAB CCCCc1c(C)nc2c(OC)cccc2c1SCCC(=O)O 1833606 GPKRRCPYXLBTHM-UHFFFAOYSA-N 333.453 4.461 0 40 EIAB CCCCCCc1cc2cc(-c3csc(N)n3)c(=O)oc2cc1O 2030239 MJUZCMJQQURJNS-UHFFFAOYSA-N 344.436 4.327 0 40 EIAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(F)c(Cl)c1 2625928 UTVJYCAGFRMILW-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB CCCC(=O)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 2688230 NOGMUMDTKVHIEC-NSHDSACASA-N 344.069 4.365 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCO2 3353463 YELHVBBATKQGRW-KGLIPLIRSA-N 340.423 4.368 0 40 EIAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(Cl)c1 4033023 WYLXRKPIQGGZGB-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB Cc1ccc(C)c(N2C[C@](O)(c3cccs3)[N+]3=C2CCCCC3)c1 4086865 ZFTGBJMPPFSFCW-FQEVSTJZSA-N 341.500 4.015 0 40 EIAB O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/COc1ccccc1 4108555 RPWKCCRFSJKBCQ-BEBFYNPSSA-N 337.419 4.423 0 40 EIAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 4588301 IQFJSBWJWYYZAV-YBEGLDIGSA-N 349.386 4.057 0 40 EIAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1C 4993599 AGAIJINKIWEWLP-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB c1cncc(CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c1 5143327 RZIPCBRKVUOJHS-UHFFFAOYSA-N 345.431 4.017 0 40 EIAB Cc1ccc(-n2nnnc2S[C@@H](C)c2ccc(F)cc2)cc1C 5171415 NLWMZSBQINXXFT-ZDUSSCGKSA-N 328.416 4.272 0 40 EIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1F 5578856 NIDAGKUWINWSKJ-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB O=C(c1ccccc1)[C@H]1Nc2cnccc2[C@H]2c3ccccc3C[C@H]12 5582023 MABJQSJTJDPFNQ-TYPHKJRUSA-N 326.399 4.063 0 40 EIAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1Cl 5796552 UFEYRBWLJDOAEH-SNVBAGLBSA-N 334.807 4.308 0 40 EIAB COc1ccc(CSc2nnc(-c3ccccc3C)n2C)cc1F 5859840 MNFCIKJPTGGKEC-UHFFFAOYSA-N 343.427 4.231 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 8041050 KTDUAIDTKQOHDX-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CCNCc1cc(Br)ccc1OCc1ccccc1F 8227231 BDWPCNDNGHHPND-UHFFFAOYSA-N 338.220 4.277 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)CCSc2ccccc2)c1 8355211 BPQANAWKNPKPFH-AWEZNQCLSA-N 345.464 4.063 0 40 EIAB COc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)cc(Cl)c1OC 11214059 RQOZOPHFHRUYPQ-QGZVFWFLSA-N 345.826 4.238 0 40 EIAB C[C@@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1ccccn1 12115192 PFFZXEXKLPPEDB-CQSZACIVSA-N 343.386 4.381 0 40 EIAB COc1ccc2[nH]cc([C@H]3CCN(Cc4ccccc4OC)C3)c2c1 12329485 XMFLCWNSNJNDHV-HNNXBMFYSA-N 336.435 4.175 0 40 EIAB COc1ccc(-c2cc(COC(=O)c3cc4ccccc4o3)no2)cc1 12726498 BNGZPOWMXPSROK-UHFFFAOYSA-N 349.342 4.453 0 40 EIAB Cc1ccccc1NCCC(=O)NCCCSc1ccc(F)cc1 12732570 WNPSCGWTVBCPAC-UHFFFAOYSA-N 346.471 4.235 0 40 EIAB Fc1ccc(CN2CCCN(c3nc4ccccc4s3)CC2)cc1 12752083 MWBODPIZBBAKRE-UHFFFAOYSA-N 341.455 4.148 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc2ccccc2oc1=O 12982834 GQVPKIQTCTZIIM-LBPRGKRZSA-N 341.794 4.280 0 40 EIAB COc1ccc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14760163 ZANBLNRUVUOABN-LSDHHAIUSA-N 342.435 4.490 0 40 EIAB biogenic,in-vitro Cc1nc2ccccc2nc1CNc1ccc(Br)cc1 16265218 OTXXUVNCGGEEDG-UHFFFAOYSA-N 328.213 4.313 0 40 EIAB Cc1nc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2ccccn12 19240667 NQECFMXEILSPFW-MRXNPFEDSA-N 341.405 4.301 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 20815044 LZGNPOJPYBCIKH-MRVPVSSYSA-N 327.211 4.018 0 40 EIAB O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCOCC1 24649956 JWPLHLRUPOEDJZ-UHFFFAOYSA-N 338.432 4.328 0 40 EIAB Cc1cc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)no1 27940737 RVWJRURMDGDARJ-ZDUSSCGKSA-N 348.472 4.031 0 40 EIAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 28043315 GYSDVZFNTDQCHB-INIZCTEOSA-N 339.819 4.005 0 40 EIAB O=C(Nc1ccnn1Cc1cccs1)c1cccc2ccccc12 28405244 LVHQJFNONGHZOA-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 32604046 MOQKMHXDMVMZFI-UHFFFAOYSA-N 345.855 4.340 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccncc1 32845912 OMWODDQBBDQPJL-HXUWFJFHSA-N 328.371 4.347 0 40 EIAB O=C(CSc1ccccc1)Nc1c2c(nn1-c1ccccc1)CCC2 35596693 OZCMRGORMMBDIA-UHFFFAOYSA-N 349.459 4.092 0 40 EIAB CCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 40072747 WGBKFGDLVTWXCE-LBPRGKRZSA-N 346.452 4.424 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 40097379 ITQBZFGIYGJRJX-SSDOTTSWSA-N 330.256 4.265 0 40 EIAB Cc1cc(C)n(-c2cccc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2)n1 40134058 FHZHDKZPFXEUIW-HNNXBMFYSA-N 338.238 4.012 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 44947916 JXAHSYGWESWXEA-LJQANCHMSA-N 341.451 4.176 0 40 EIAB O=C(NC1CCCCCCC1)c1cc(Br)cnc1Cl 50044484 DUEIKOKXLQWUPT-UHFFFAOYSA-N 345.668 4.340 0 40 EIAB Cc1cc(NC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n(C)n1 56504095 OKIKHTCWJKMRIT-UHFFFAOYSA-N 348.834 4.347 0 40 EIAB O=C(NC1CCN(c2ccccc2)CC1)c1sccc1C1CC1 58314235 ASWWAERHWGSIMH-UHFFFAOYSA-N 326.465 4.024 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 73632151 QZMPMMJBUBWWND-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB O=C(c1c2c(nc3ccccc13)CCC2)N1CCC[C@@H](C(F)(F)F)C1 84587822 ZIZZLDDHBNAVJP-GFCCVEGCSA-N 348.368 4.138 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@@H]1c1c(F)cccc1F 89768100 RLQXYMSQSLMRSA-ILXRZTDVSA-N 349.421 4.066 0 40 EIAB CC[C@H]1CCCCN1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 95348676 ZTLZAZHIMOWUIT-AWEZNQCLSA-N 332.835 4.322 0 40 EIAB Cc1nc([C@@H](N[C@H]2CCSc3ccccc32)c2ccccc2)n[nH]1 95421725 YAKJTIOGGFUHPK-WMZOPIPTSA-N 336.464 4.029 0 40 EIAB COc1ccccc1Oc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 95422263 BNCZZQPBKWYWQX-OAHLLOKOSA-N 337.423 4.072 0 40 EIAB C[C@H](C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1)C1CCOCC1 95975095 NBCSYOXXVPFDFF-ILXRZTDVSA-N 337.891 4.353 0 40 EIAB Cc1noc(C)c1CN[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 95985332 RZCWEOCKSBCQAW-LBPRGKRZSA-N 341.386 4.469 0 40 EIAB Cc1cc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)no1 95985334 LLPSSGMERDRMBW-ZDUSSCGKSA-N 327.359 4.160 0 40 EIAB Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2s1 97112828 LGDUWXRYIFUSPV-HNNXBMFYSA-N 341.440 4.087 0 40 EIAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)c1cc(-n2cccc2)ccc1Cl 170609909 NFXSKTFPTFBFTD-RBSFLKMASA-N 326.827 4.073 0 40 EIAB CCOC(=O)c1cn([C@H](C)CC)c2ccc(C(F)(F)F)cc2c1=O 199741062 SQUKJCPHIZUKHB-SNVBAGLBSA-N 341.329 4.168 0 40 EIAB O=C(CCc1cccc2ccccc12)Nc1ccc2c(c1)OCCO2 201077148 JZVOQKCOKVWJTL-UHFFFAOYSA-N 333.387 4.182 0 40 EIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@H]2C=CC[C@H]1CC2 206913531 GDZWVUXLYQGRAM-STQMWFEESA-N 328.799 4.237 0 40 EIAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1c(F)cccc1Cl 215147930 BUVFTLVSHLZPID-NTUHNPAUSA-N 337.759 4.309 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(N2CCC[C@@H](C)C2)c(C)cc1N 216866336 GSLFHVCRYNTKFN-CQSZACIVSA-N 337.467 4.374 0 40 EIAB Cc1cccc(OCC(=O)NCCSCc2ccccc2Cl)c1 222751881 RREJYOKDUBCDDS-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CCCO[C@](C)(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)C1CC1 225857412 DZCZYWZOMPENGP-INIZCTEOSA-N 345.361 4.248 0 40 EIAB CCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(N)c1 226346937 XABWIPQZQPRCHM-UHFFFAOYSA-N 346.430 4.438 0 40 EIAB Cc1cc(C)c(OCC(=O)n2nnc3cc(C)cc(C)c32)c(Cl)c1 226359894 VNMJIIZMMJPIMD-UHFFFAOYSA-N 343.814 4.038 0 40 EIAB CC(C)CNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 408546552 UHTGWNUZPPUSIT-UHFFFAOYSA-N 345.830 4.370 0 40 EIAB CCC(CC)n1ncc(C(=O)Nc2ccc(CN(C)C)cc2C)c1C 585088217 PIUIQKJNOAVNIB-UHFFFAOYSA-N 342.487 4.175 0 40 EIAB COc1ccc(OC)c([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1 817722 XQAQDTYKHUMSLJ-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB O=C(Nc1ccc(-c2ccc(Cl)cc2)oc1=O)c1ccccc1 1389081 WHHIQCKUGOYCJM-UHFFFAOYSA-N 325.751 4.213 0 40 EIAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 2136131 JUKJYSKTPRSRFL-UHFFFAOYSA-N 343.210 4.259 0 40 EIAB O=C(O)c1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1 3025815 RDCXSHIOVYGLEF-UHFFFAOYSA-N 347.414 4.254 0 40 EIAB CC(=O)c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 4070030 UAIIGCAMIDBYSF-UHFFFAOYSA-N 336.416 4.194 0 40 EIAB CC[C@H](C)OC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887750 OJOAUWXWKLPXLM-MEGFKASBSA-N 336.431 4.485 0 40 EIAB Cc1cc(NC(=O)c2cccnc2)cc(-c2nc3ccccc3o2)c1O 4988459 ZUHUJMHYYSMEHW-UHFFFAOYSA-N 345.358 4.156 0 40 EIAB CCC[C@@H](C)NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 5428884 ZWRCCSWQXBFQPG-SECBINFHSA-N 337.514 4.013 0 40 EIAB CNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 8377386 FIOIEQYNVNESCA-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB Cc1ccc(CNC(=O)Cc2csc(-c3cccs3)n2)cc1F 9114318 NKKPQLMCEQMIJV-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(C)c(Cl)c2)cc1 9155163 PSAYFWPDMQTAGN-LBPRGKRZSA-N 345.830 4.046 0 40 EIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccn1 10691643 BACAVXXFUTUQAN-GOSISDBHSA-N 341.414 4.125 0 40 EIAB Cc1cc(C(=O)Nc2cccc(Cl)c2)c2cnn(C(C)C)c2n1 10808799 IBOMEGBTSHKXKB-UHFFFAOYSA-N 328.803 4.226 0 40 EIAB COc1ccc(C=O)cc1Cn1c(-c2cncs2)nc2ccccc21 12371120 SULHHXVIJOEIMU-UHFFFAOYSA-N 349.415 4.029 0 40 EIAB O=C(Nc1ccccc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12617995 NXMAJMGGFUYANQ-UHFFFAOYSA-N 335.382 4.143 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 13710819 XUYPRSVTPYFNBK-QZTJIDSGSA-N 325.452 4.208 0 40 EIAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 14219553 HJPGYAXHTZNTIJ-AWEZNQCLSA-N 344.263 4.423 0 40 EIAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3F)cs2)cc1 15832577 GDTXKBAMPQWSLQ-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1ccccc1C(C)C 15966706 JGAFBBHCSSGTRV-OAHLLOKOSA-N 327.424 4.075 0 40 EIAB Clc1ccc(COc2cccc(CNC[C@@H]3CCCO3)c2)cc1 16399542 MAHCHKDKEKHBON-IBGZPJMESA-N 331.843 4.188 0 40 EIAB COC(=O)[C@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 16779098 MJKITFXHHCJMGH-MRXNPFEDSA-N 331.824 4.498 0 40 EIAB Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCc2ccccc2C1 19793682 DVKJHOUVMDCLJM-UHFFFAOYSA-N 338.838 4.048 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1Br 19932889 QYGSSRGAVVUNCM-UHFFFAOYSA-N 338.632 4.375 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1 20145052 KPIVNKIPCHUKOF-KPKJPENVSA-N 349.386 4.099 0 40 EIAB CSc1ncc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 27995573 POJFOJFGZUQUOA-UHFFFAOYSA-N 339.207 4.222 0 40 EIAB O[C@@]1(c2ccccc2)CN(Cc2ccccc2)C[C@@H](c2ccccc2)O1 31924498 UXNCENBVWCDNFI-GOTSBHOMSA-N 345.442 4.105 0 40 EIAB COc1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 32101967 BPDPSRYNMPIOGJ-UHFFFAOYSA-N 326.783 4.392 0 40 EIAB Cc1ccc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 32754411 WEHCBKAYTSEJOD-HNNXBMFYSA-N 325.437 4.444 0 40 EIAB C[C@H](OCCCNC(=O)c1cccc2ncccc12)c1ccccc1 32907582 PPAMAUYYDCCEBC-INIZCTEOSA-N 334.419 4.133 0 40 EIAB Cc1nc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2s1 38490527 TYLXWGYFTKNMFJ-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 38773058 UNDKOSUFDZGJRK-INIZCTEOSA-N 338.451 4.177 0 40 EIAB C[C@H](NC(=O)c1occc1-c1ccccc1)c1nc2ccccc2[nH]1 40157403 UHYHYTNFJDCROX-ZDUSSCGKSA-N 331.375 4.314 0 40 EIAB O=C(/C=C/c1ccccn1)Nc1ccc2c(c1)OC1(CCCCC1)O2 47519933 ISFHLRXYAMAWCN-CSKARUKUSA-N 336.391 4.165 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)n[nH]2)cc1 51315537 XIRBGDLIADEEKF-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB O=C(c1[nH]c2ccc(F)cc2c1Cl)N(Cc1cccnc1)C1CC1 56457180 QTPNPNQWVOBJTG-UHFFFAOYSA-N 343.789 4.160 0 40 EIAB CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1cccs1 58370555 AZHGHNUCWURPSS-UHFFFAOYSA-N 345.445 4.366 0 40 EIAB c1ccc2c(c1)OC[C@H](c1nnc(SCC3CCCCC3)o1)O2 61130367 BJHDYEYLYFEHTL-OAHLLOKOSA-N 332.425 4.255 0 40 EIAB CC(C)(C)c1nnc(CN2CCC(c3cc4ccccc4[nH]3)CC2)o1 62367260 URYDCHXKEBNFTQ-UHFFFAOYSA-N 338.455 4.228 0 40 EIAB C[C@@H](N[C@@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 69416035 ZRGIKZAPHZJEGZ-CXAGYDPISA-N 326.444 4.314 0 40 EIAB C[C@H](NC(=O)Cc1noc2ccccc12)c1nc(C(C)(C)C)cs1 71882928 OXZZZYXRWQZHCA-NSHDSACASA-N 343.452 4.002 0 40 EIAB C[C@](O)(CNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 75155375 ICBICUDMLRWXIM-QFIPXVFZSA-N 349.405 4.130 0 40 EIAB CC(C)(C)c1ncc(CNc2ccc(OCC(F)(F)F)nc2)s1 84325330 XSUZQRAJRZEWEH-UHFFFAOYSA-N 345.390 4.389 0 40 EIAB Cc1nc(-c2cccs2)sc1CNC(=O)/C=C/c1ccco1 85470953 FUNNULQRNMZRDO-VOTSOKGWSA-N 330.434 4.103 0 40 EIAB Cc1c(CN[C@@H](c2ccc(Cl)cc2)c2cccs2)cnn1C 95439973 NAIHWNISPZYGTB-KRWDZBQOSA-N 331.872 4.323 0 40 EIAB CN(Cc1cscn1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 96404679 UODSTTYRPIEMEY-OLZOCXBDSA-N 341.263 4.212 0 40 EIAB C[C@H](CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccsc1 125344615 GDMSEECWCKZBHA-JLSDUUJJSA-N 344.480 4.071 0 40 EIAB CC(C)[C@@H](C)N1Cc2cccc(NCc3nnsc3Cl)c2C1 195537972 OJURGRXSPDOWKP-LLVKDONJSA-N 336.892 4.164 0 40 EIAB COC(=O)c1c(C)n(C(=O)Cc2ccc(Cl)cc2)c2ccccc12 216951900 AQIPQXVNTDITNS-UHFFFAOYSA-N 341.794 4.273 0 40 EIAB COc1ccccc1CCCNC(=O)CCSCc1ccccc1 218994733 BAUMYXLHTWVZFW-UHFFFAOYSA-N 343.492 4.068 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1C 220015859 PPYSEONEYSGBGB-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB CSc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 224067677 JGHYKCSBTJZDAA-UHFFFAOYSA-N 328.368 4.455 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC[C@@H](C)c1ccccc1 224466925 GRKKCKDDMVKGGD-VQIMIIECSA-N 325.452 4.381 0 40 EIAB Cc1cc(C)c(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 224520474 VECWYGRYPXXCCZ-UHFFFAOYSA-N 336.479 4.138 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)cc1 225309010 GYIGLMOYUARSEW-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccccc1Cl 225440853 IXULUTMIJQYBNT-GOSISDBHSA-N 329.827 4.085 0 40 EIAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1CCCC1 225535796 VHLOFYNVESBYID-UHFFFAOYSA-N 327.399 4.211 0 40 EIAB Cc1ccc(-c2ccc(C(=O)NCCc3ccccc3)c(C)n2)cc1 257173284 INISPWLVLVMCNN-UHFFFAOYSA-N 330.431 4.338 0 40 EIAB CNc1cc([C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)ccn1 257231262 GFYZTGKRUZBZNB-KRWDZBQOSA-N 343.858 4.073 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C)c3C)N21 260756007 CWAUEIIJYLWWCO-JLSDUUJJSA-N 340.496 4.016 0 40 EIAB CC(C)(C)c1cccc(C(=O)[C@@H](Br)CBr)c1 382675610 PEFKYIOMHSSYTL-NSHDSACASA-N 348.078 4.325 0 40 EIAB COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(OC)c1 409135563 REJYWXXZGFLOLV-WQRHYEAKSA-N 337.419 4.247 0 40 EIAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)cc2)cc1 104517 NIVYHBWXSKJHGZ-FQEVSTJZSA-N 330.387 4.472 0 40 EIAB O=C(COc1ccc(Br)cc1)NC1CCCCCCC1 326681 YSTFNTJAVQUBPO-UHFFFAOYSA-N 340.261 4.057 0 40 EIAB COC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Cl)cc12 551695 WNDCUJXEKFPJIG-UHFFFAOYSA-N 344.750 4.400 0 40 EIAB biogenic C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 1385921 GLOWGQDIXUPDIH-SECBINFHSA-N 334.206 4.361 0 40 EIAB Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccccc2)cs1 1404986 UKPYQRWGTDCZOZ-UHFFFAOYSA-N 336.395 4.384 0 40 EIAB O=C(Nc1nnc(-c2cccs2)o1)c1cc(Cl)sc1Cl 2641543 VWQJRYQJUPWZRQ-UHFFFAOYSA-N 346.220 4.419 0 40 EIAB O=C(Nc1ccc(F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116994 PVADAPIMNIUAEU-UHFFFAOYSA-N 349.230 4.455 0 40 EIAB CC(C)CCCCCCOc1ccc([C@@H]2CC(=O)N(C)C2=O)cc1 4023893 SLOINWSHWICARJ-SFHVURJKSA-N 331.456 4.144 0 40 EIAB biogenic Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@H](C)c1ccccc1 4516132 YSQDXCVKOOKKKM-AWEZNQCLSA-N 335.403 4.396 0 40 EIAB COc1cccc(CNC2CCCC2)c1OCc1ccccc1F 4700679 YASLMIAPMNAFNY-UHFFFAOYSA-N 329.415 4.446 0 40 EIAB O=C1C=C(C23CC4CC(CC(C4)C2)C3)N2CCCc3cccc(c32)N1 5011993 AKZCKBNHPWGWHJ-UHFFFAOYSA-N 334.463 4.492 0 40 EIAB CCCN(CCC)C(=O)Cc1csc2nc(-c3ccccc3)cn12 5146565 TWUGCJFWXITSER-UHFFFAOYSA-N 341.480 4.254 0 40 EIAB COc1cc(C)c(NC(=O)CSCc2cccc(C)c2)cc1OC 6258864 WAHMYGZMAOMOIP-UHFFFAOYSA-N 345.464 4.193 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCSc3ccccc32)c1 7269229 GNCDALBFOQIXCD-YOEHRIQHSA-N 327.449 4.116 0 40 EIAB CSc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 7745939 RGGVURFZIFBDJZ-ZHACJKMWSA-N 339.869 4.475 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)CCc1ccccc1 8048839 BYGPINZQNXWYQO-PXNSSMCTSA-N 325.452 4.290 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)c(Cl)c1 8477763 KNMQPUWGMKNDLZ-CQSZACIVSA-N 337.778 4.284 0 40 EIAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc21 8719760 CYUMMGLEKYCMBW-UHFFFAOYSA-N 349.818 4.097 0 40 EIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C)o1 8843941 PQRNSXFKYNSMTO-OAHLLOKOSA-N 347.212 4.048 0 40 EIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 9462876 IEANYLBXDNYTFT-UHFFFAOYSA-N 340.467 4.298 0 40 EIAB Fc1ccc(F)c(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 9531128 FJFKZYRYBUGTRQ-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB NC(=O)c1ccccc1Oc1ncnc2sc(-c3ccccc3)cc12 9862573 BUTUEEDQQJIWDQ-UHFFFAOYSA-N 347.399 4.250 0 40 EIAB O=C(/C=C/c1ccccc1OC(F)F)Nc1cc(F)ccc1F 11373561 CVPRJTZUZTWOGK-VMPITWQZSA-N 325.261 4.218 0 40 EIAB O=C(c1cc(-c2csc(-c3cccc(F)c3)n2)c[nH]1)N1CCCC1 12873282 BBPMVQUFQUCAAI-UHFFFAOYSA-N 341.411 4.180 0 40 EIAB O=C(CCCc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 12906983 HMFZGJFUKJTDCD-INIZCTEOSA-N 336.460 4.423 0 40 EIAB COc1ccccc1C(=O)Nc1nc(-c2ccc(C)s2)cs1 12932649 BESHRMMVLPGUOF-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OC[C@@H]1CCCO1 12937190 IMGTWWKZSOWPHV-ZDUSSCGKSA-N 349.789 4.289 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 13056685 XTIBTPPLMLWTMF-LBPRGKRZSA-N 337.250 4.452 0 40 EIAB COc1cc(C(=O)Oc2cccc(C(C)C)c2)cc(OC)c1OC 14601482 SMHRHWSSVCFYJK-UHFFFAOYSA-N 330.380 4.055 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 14849179 GXAPJYWOKCRVHE-CQSZACIVSA-N 342.826 4.178 0 40 EIAB Cc1nnc(SCC(=O)c2ccc(Cl)s2)n1-c1ccccc1 15278103 NXYGIXWDJAKASD-UHFFFAOYSA-N 349.868 4.266 0 40 EIAB CCC[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 16420739 DSDSXWCTEZRXQP-YJBOKZPZSA-N 342.508 4.325 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCOCC1 16985251 BKMAUSIVTBNZJB-UHFFFAOYSA-N 349.352 4.392 0 40 EIAB COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N=C2O)o1 17124519 RXDAWEGESVIPNS-JYRVWZFOSA-N 345.401 4.062 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 17167365 QPPYTYFZOIVCLI-ZIAGYGMSSA-N 332.444 4.152 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1ccc(Cl)cc1 20430094 RWWJXOQWNULMAO-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB O=C(CCC1CCCCC1)Nc1cnn(Cc2cccc(F)c2)c1 28303718 IDZBSJRKNVNRNT-UHFFFAOYSA-N 329.419 4.370 0 40 EIAB O=C(OCc1cccc(Cl)c1)c1cc(-c2ccccc2F)no1 28578880 RYCQKQGDTHGZHP-UHFFFAOYSA-N 331.730 4.491 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)nc1 30009478 WTGQQUJPJDAJHU-KBPBESRZSA-N 327.428 4.043 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 31078566 FZDBBHPLDPSERQ-HNNXBMFYSA-N 343.423 4.035 0 40 EIAB CC(C)(C)[C@H](NCn1nc2ccccn2c1=S)c1cccs1 40155522 KFKKTWCYRPMLKJ-CQSZACIVSA-N 332.498 4.261 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 43759614 NCMZQTLCXHGLOK-JAYAMIOFSA-N 330.468 4.450 0 40 EIAB in-vitro O=C(CC(F)(F)F)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 48280987 USRHUMSXIWFVBD-UHFFFAOYSA-N 346.305 4.030 0 40 EIAB CC(C)CCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 49466783 WZTNSUYHOMDNFL-MOPGFXCFSA-N 337.419 4.098 0 40 EIAB O=C(O)/C(=C/c1ccccc1Cl)Sc1nc2ccccc2[nH]1 50547782 MWIGYVNXCPBPHB-ZROIWOOFSA-N 330.796 4.434 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351555 DCWDULGUNRPDIG-UZLBHIALSA-N 341.451 4.347 0 40 EIAB CCOC(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 65534647 PFQBNIFDXZTVJV-HNNXBMFYSA-N 326.440 4.111 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@@H]1CC=CCC1 71884300 UEDDLANIOCCCNX-CQSZACIVSA-N 340.448 4.224 0 40 EIAB CN(C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72212686 RKJDAVUKQAKDJO-SFHVURJKSA-N 339.439 4.011 0 40 EIAB CCCN1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214620 NHTHFPWXQVJZIU-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72215140 XZRSLGYVXSYSAS-GOEBONIOSA-N 333.476 4.436 0 40 EIAB c1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1 72348848 NAAGFTREQCSCGT-UHFFFAOYSA-N 343.474 4.447 0 40 EIAB Fc1ccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)cc1 72358155 YXQJQMSSXHZNFZ-OAQYLSRUSA-N 340.442 4.127 0 40 EIAB Cc1csc([C@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)n1 74666150 UMIWDMVRXOELCS-OAHLLOKOSA-N 347.509 4.338 0 40 EIAB CC(C)[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 75572517 CSNQEJBNULUUJS-GOSISDBHSA-N 332.488 4.373 0 40 EIAB COC(=O)c1cccc(-c2nc(CSc3ccccn3)cs2)c1 76040295 WQZTUUQKVYSMSQ-UHFFFAOYSA-N 342.445 4.284 0 40 EIAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 78182760 YNVVKLXVRRYOMU-UXHICEINSA-N 329.484 4.330 0 40 EIAB Cc1cc(CS[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)on1 78555618 XXXQERLMKMOEQV-VIFPVBQESA-N 328.796 4.036 0 40 EIAB CCN(Cc1ccccn1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 84442150 XSPHNDSEMOWZFU-SFHVURJKSA-N 345.393 4.043 0 40 EIAB Cc1csc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1 96119859 IZLMGYGPBHXXSU-UHFFFAOYSA-N 341.457 4.279 0 40 EIAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 169405174 ZIMXOQCHHDURRC-UHFFFAOYSA-N 348.855 4.491 0 40 EIAB CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC)c(OC)c1 219949531 MNMLRQKSYNIDEJ-OAHLLOKOSA-N 339.391 4.331 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3c(C)cccc3C)c(C)n2)cc1 223139834 NLBIJKLOGGYMTO-UHFFFAOYSA-N 347.418 4.330 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c(C)c1 225142013 RZVYJLFWHPGEDN-KRWDZBQOSA-N 325.452 4.208 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)c(F)c1 225636115 FIDARLDTNNDBKK-LBPRGKRZSA-N 336.407 4.027 0 40 EIAB Cc1cc(CCC(=O)NCc2cccnc2-c2ccco2)ccc1F 225660930 CJKPAWMDIIDMQX-UHFFFAOYSA-N 338.382 4.038 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2ccccc2Cl)c1 225765788 IANTUDYKXNDJOA-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CCC1(CC)C[C@H](NC(=O)Cc2cccs2)c2ccccc2O1 225823891 MPFHBFTUBUZBEC-INIZCTEOSA-N 329.465 4.489 0 40 EIAB Cc1nc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc2n1C 225893430 RYAWWPZIEWFJTF-NSHDSACASA-N 327.815 4.026 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cn1 225899441 JTCHCEXLGXTKBI-UHFFFAOYSA-N 334.460 4.329 0 40 EIAB CC(C)Oc1ncccc1C(=O)Nc1ccccc1-c1ccncc1 252479134 AZTVROYEXMMISJ-UHFFFAOYSA-N 333.391 4.183 0 40 EIAB CCc1cc(C)cc(CC)c1NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 252479740 BMACYBUEBQQRCR-QAQDUYKDSA-N 331.456 4.038 0 40 EIAB CCN(CC1CCC1)C(=O)CCCn1cc(-c2ccc(F)cc2)cn1 257173311 JHHWYPGFZBEGRQ-UHFFFAOYSA-N 343.446 4.118 0 40 EIAB CC(C)Oc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)c1 257220839 DMJTVCOXSPHECY-POVPESKVSA-N 330.468 4.349 0 40 EIAB COc1ccc(C(=O)N[C@H](c2ccsc2)c2cccs2)cc1F 390827469 YGQBTPZFXWXVOT-MRXNPFEDSA-N 347.436 4.477 0 40 EIAB CCCSc1nnc(Cc2ccccc2)n1-c1ccc(OC)cc1 409107493 WGROCKKYTPVRND-UHFFFAOYSA-N 339.464 4.369 0 40 EIAB CCCCc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1 516764989 GCGLJQHFBOLPHR-UHFFFAOYSA-N 347.418 4.444 0 40 EIAB O=C(CCc1ccccc1)Nc1ccc(N=S2(=O)CCCC2)cc1 582131487 JLBLTZOGTQLPEO-UHFFFAOYSA-N 342.464 4.151 0 40 EIAB CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)cc1F 582570301 BHWYTWQEIWXZBV-UHFFFAOYSA-N 335.806 4.325 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)N3CCCC(F)(F)CC3)c2)o1 585123633 QINLBDCMUPZKSR-UHFFFAOYSA-N 335.354 4.303 0 40 EIAB CS(=O)(=O)Cc1ccccc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 1615623151 ZNKRJHRNKMMWRC-OCCSQVGLSA-N 349.418 4.012 0 40 EIAB Cc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 98553 BRFNNFOBPOZNQN-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB CCCC(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C 200659 GRRMQBRKSCLKRD-UHFFFAOYSA-N 335.451 4.118 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccccc2)c1C 385353 VAKWDSPKBZNZPU-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB COc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 547518 YFEXDOMGVGLKSR-UHFFFAOYSA-N 327.453 4.325 0 40 EIAB Cc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1 1341011 MKKBIFXSOIDZCG-UHFFFAOYSA-N 331.419 4.106 0 40 EIAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1c(F)cccc1Cl 1355112 KMPLZHFREAXCSC-UHFFFAOYSA-N 348.805 4.386 0 40 EIAB O=C(c1ccc(Br)cc1)c1ccc(CN2CCCC2)cc1 2514560 CBQYQXBIDBDXMK-UHFFFAOYSA-N 344.252 4.276 0 40 EIAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 2694539 YSBWPYOHMLOJIM-AOIWGVFYSA-N 327.468 4.291 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 3062204 LWRANPXBOADVJW-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB COc1cnc(-c2ccccn2)nc1Sc1cccc(Cl)c1 3128549 SCNLPUFJULYTHF-UHFFFAOYSA-N 329.812 4.352 0 40 EIAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc(F)cc1 3286025 JRLQJSUKMZSHAI-UHFFFAOYSA-N 344.357 4.203 0 40 EIAB C[C@H](Nc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 3353351 AKRZATARIHEQQV-ZDUSSCGKSA-N 334.375 4.008 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 3440047 HHGPLVYMNMZICG-UHFFFAOYSA-N 345.489 4.491 0 40 EIAB aggregator Cc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 3454006 MUAQMYPBZFGKBK-UHFFFAOYSA-N 330.434 4.390 0 40 EIAB COc1ccc(CNC(=O)c2ccccc2)cc1OCc1ccccc1 3847440 OYASWYHSRCFSLD-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB biogenic O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc12 3983245 UFNKFEHWSYWFIK-UHFFFAOYSA-N 341.750 4.025 0 40 EIAB CCc1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1 4118927 OTLYTHPURSBPIW-UHFFFAOYSA-N 349.883 4.190 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 5454379 XMPDUNWAASGIJX-YRXKRPFLSA-N 327.468 4.175 0 40 EIAB O=C(Nc1ccccc1Cc1ccccc1)c1cn2ccccc2n1 6315742 FFBCOHAFSHWEKO-UHFFFAOYSA-N 327.387 4.177 0 40 EIAB CCSc1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1 7264377 BCUQJQOPYITYNC-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB O=C(CCSCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 7685715 HUYHGKFPUZIINY-UHFFFAOYSA-N 329.509 4.395 0 40 EIAB O=C(O)/C=C/c1cc(Br)ccc1OCc1ccccc1 8381273 KTQCYOABVYGDNK-RMKNXTFCSA-N 333.181 4.126 0 40 EIAB CCN(CC)c1ccc2nc(C)c(CN3CCCC[C@H]3C)c(O)c2c1 8717367 GRICOGBHJODKFU-OAHLLOKOSA-N 341.499 4.469 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)C3CCCCC3)ccc21 9136822 QEZVOXXPZZJBNK-UHFFFAOYSA-N 328.456 4.285 0 40 EIAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(NC3CC3)s2)c1C 12803595 WLPCSKLWGIAABI-UHFFFAOYSA-N 347.509 4.321 0 40 EIAB O=C(CCSCCOc1ccccc1)Nc1ccc(F)c(F)c1 13017173 VDDBZFQBSWSNFQ-UHFFFAOYSA-N 337.391 4.106 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 14196447 FCHHLTYZAMCSKA-UHFFFAOYSA-N 326.377 4.154 0 40 EIAB Fc1ccc(F)c(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 15083089 HKFGLJYVEGKSBD-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB COc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1Cl 16284965 YXIFTGSCEFTHTE-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB CN(Cc1ccsc1)C(=O)c1ccccc1C(=O)c1ccccc1 21637406 XBEUBEICSUILAO-UHFFFAOYSA-N 335.428 4.251 0 40 EIAB O=C(Nc1nc2cc(Cl)ccc2s1)C1C[C@@H]2CCC[C@H](C1)C2=O 26267391 NVKPFZKGQGBJSG-ZACCUICWSA-N 348.855 4.284 0 40 EIAB C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccccc1 27969510 SHJGLADATFNHCO-AWEZNQCLSA-N 339.826 4.076 0 40 EIAB Cc1cccc(NC(=O)COC(c2ccccc2)c2ccccc2)n1 28194546 VXMWOVAXIIYXTF-UHFFFAOYSA-N 332.403 4.135 0 40 EIAB Cc1cc(C)nc(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n1 30316242 ZNUOVUVKMSHBLZ-CYBMUJFWSA-N 349.887 4.059 0 40 EIAB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccccc1OC(F)F 31756374 YGKQEUOPTZCRMG-HNNXBMFYSA-N 335.350 4.178 0 40 EIAB CCOC(=O)CSc1ncnc2sc(C)c(-c3ccccc3)c12 31773331 GNAYSOGAEMXVOS-UHFFFAOYSA-N 344.461 4.322 0 40 EIAB CCc1ccc2oc(C(=O)Nc3cccc4cccnc34)cc(=O)c2c1 32623264 SMCSMXQHJZMRQW-UHFFFAOYSA-N 344.370 4.156 0 40 EIAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)cc1 32821002 XKIQZAPKRJZLJK-MRXNPFEDSA-N 343.448 4.327 0 40 EIAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccccc1Cl 36621071 RADPZDRKPSJNCB-INIZCTEOSA-N 339.819 4.005 0 40 EIAB Cc1nc2ccccc2n1CC1CCN(C(=O)Nc2ccccc2)CC1 38488550 ZNDBFOSCIJLSCR-UHFFFAOYSA-N 348.450 4.289 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)CCCc2nc(C(C)C)no2)cc1 40133765 HHRZZZWSEPZLSX-CYBMUJFWSA-N 347.484 4.115 0 40 EIAB CCn1c2ccccc2c2cc(NC(=O)c3ccnc(C)n3)ccc21 40146493 MKRLKYNAYZGFFI-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc2ccccc2c1 40161387 BSYDGJWDDHNCMT-UHFFFAOYSA-N 340.400 4.119 0 40 EIAB CCc1cccc2c(/C=C3\N=C(S)N(c4ccccc4)C3=O)c[nH]c12 44599056 YOYDYGJVTCHVLU-BOPFTXTBSA-N 347.443 4.404 0 40 EIAB COCCc1nc(-c2cc(C)n(-c3nc(C)cs3)c2C)cs1 48354788 GPFXFXAQVWHXRR-UHFFFAOYSA-N 333.482 4.171 0 40 EIAB CC[C@@H](C)Oc1cccc(C(=O)Nc2c(C)ccc3nsnc23)c1 57316044 IWAMXSSTWJSDPQ-GFCCVEGCSA-N 341.436 4.429 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)c1ccccc1 65436733 AFZSYVNWLBNDPT-UHFFFAOYSA-N 337.448 4.179 0 40 EIAB CC(C)(C)n1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cn1 65923978 YIRXHQVTHICJKX-UHFFFAOYSA-N 336.439 4.251 0 40 EIAB COc1c(O)c(Br)c2ccccc2c1Br 71788983 JSEYBJXZSRIZSK-UHFFFAOYSA-N 331.991 4.079 0 40 EIAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2)cc1 71816083 KPGTYAZQQNMLEN-SFHVURJKSA-N 340.423 4.200 0 40 EIAB O=C(O)c1cc(Br)ccc1COc1ccccc1Cl 72209162 ZSZXBAFDAMQTOT-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB Fc1ccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 72358572 GCBYFFBIXAYJNW-GOSISDBHSA-N 348.425 4.057 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cc(Cl)ccc2F)C1 72403574 XVQPJOUOQQCHRP-LBPRGKRZSA-N 345.761 4.441 0 40 EIAB CC(C)(C)OC(=O)N1CCCc2ccc(NCc3cc[nH]c3)cc21 95429100 ILCPYXPJFUNXPI-UHFFFAOYSA-N 327.428 4.315 0 40 EIAB COc1cccc2cc(C(=O)NCc3ccc(OC(C)C)cc3)oc12 97256648 BDYBJZFSWMGHJY-UHFFFAOYSA-N 339.391 4.159 0 40 EIAB O=C(NC1CCCCC1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 102716334 RGWGQLBFUPUQLE-IGQOVBAYSA-N 330.299 4.291 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)n1 107050794 RFSHLQKWWGPALO-JLJPHGGASA-N 342.464 4.070 0 40 EIAB CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccccc1 216274176 HLVORTFNJXYSLM-LJQANCHMSA-N 327.424 4.122 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219360435 KLMIXTNHNWXCMG-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB COc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 222999895 UFAVSGWDKPXCMU-MRXNPFEDSA-N 337.463 4.302 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 224927250 DJDSCZGVMFKWST-QGZVFWFLSA-N 338.451 4.310 0 40 EIAB Cc1cccc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225090261 OCRJIQRDTBMTHC-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB Cc1cc(C)c2nc(-c3cc(Br)c[n+](C)c3)sc2c1 226773356 QYLNUWUFERGOSM-UHFFFAOYSA-N 334.262 4.167 0 40 EIAB CSc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260780980 SCIYBHMHFWTOKF-OAUYIBNBSA-N 341.505 4.393 0 40 EIAB CC(C)(C)OC(=O)N1CCCC(=C2C=C[C](Br)C=C2)C1 1560403735 KYGMRLXZAIFEBT-UHFFFAOYSA-N 339.253 4.367 0 40 EIAB COc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 178220 NUWWCVRYXWSAIN-UHFFFAOYSA-N 331.165 4.231 0 40 EIAB biogenic O=S1(=O)c2cccc3cccc(c23)N1Cc1ccccc1Cl 184797 SJFWWRQHQZJEED-UHFFFAOYSA-N 329.808 4.202 0 40 EIAB CCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 832907 OINATZIDQDKEMT-UHFFFAOYSA-N 347.212 4.050 0 40 EIAB CCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 2721495 QOZCYMIUZSCGEY-UHFFFAOYSA-N 335.451 4.199 0 40 EIAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(=O)O)c2)cc(C)c1Cl 2761525 RAPHCBHSLCBXRK-GFCCVEGCSA-N 347.798 4.061 0 40 EIAB CCCCCCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 3090817 NBJXJBCQHLOCCC-IBGZPJMESA-N 339.435 4.281 0 40 EIAB biogenic CCCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1OCCC 3326599 JDFKCVWURYPNCD-UHFFFAOYSA-N 342.391 4.193 0 40 EIAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)c1 4857047 OUDSDUSDOYPVJM-JLYLLQBASA-N 343.540 4.138 0 40 EIAB Cc1ccc2cc(CN(C(=O)C(C)C)c3ccccc3C)c(=O)[nH]c2c1 5050485 IRXJRQUJHNRPHJ-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB CCn1cc(NC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc21 5266149 XLBJSCTYYYGRTH-UHFFFAOYSA-N 336.395 4.264 0 40 EIAB Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2s1 5578240 ZQPQSELAGMNYPP-JTQLQIEISA-N 330.384 4.150 0 40 EIAB c1ccc(-n2nc(SCc3cn4ccccc4n3)nc2C2CC2)cc1 6105366 LXBMMWUWISJRHX-UHFFFAOYSA-N 347.447 4.085 0 40 EIAB COc1cccc(CNC(=O)C(c2ccccc2)c2ccccc2)c1 6236595 WRXQFZHIBPSCCP-UHFFFAOYSA-N 331.415 4.144 0 40 EIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccccc1 6344227 VKABSJLVOZMXQQ-UHFFFAOYSA-N 335.403 4.007 0 40 EIAB O=C(COc1ccccc1Cl)N(Cc1ccco1)Cc1ccco1 6747357 VZBOLQHPLBXCMF-UHFFFAOYSA-N 345.782 4.134 0 40 EIAB Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C(F)(F)F)nc2n1 7636162 VLUCXPDTWDLJRX-UHFFFAOYSA-N 341.724 4.157 0 40 EIAB Cc1ccc(SCC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 7734838 VFHIRUOBTTUZAB-UHFFFAOYSA-N 339.460 4.405 0 40 EIAB Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCC2)oc2ccccc12 8943315 GKCBXSPHMDCPKO-UHFFFAOYSA-N 348.402 4.230 0 40 EIAB C[C@H]1C(=O)N(Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 8945565 MVHUDHSQZITCRF-NSHDSACASA-N 349.217 4.351 0 40 EIAB CSc1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1 10252248 IJTOTGZYMYUFMD-UHFFFAOYSA-N 332.425 4.339 0 40 EIAB COc1cc(NC(=O)CCc2ccc(C)cc2)c(OC)cc1Cl 10337174 PAFMXNULUDELNW-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB Cc1ccc(C(=O)CCC(=O)OCc2cccc3cccnc23)cc1 10539858 OOHHQFQSOCISDN-UHFFFAOYSA-N 333.387 4.250 0 40 EIAB CCc1sc(NC(=O)[C@]2(C)CCCO2)nc1-c1ccc(F)cc1 12191842 VTHFDJKXZHKGLG-KRWDZBQOSA-N 334.416 4.019 0 40 EIAB CCN1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 12539716 FXNJDCVASDVKAV-SFHVURJKSA-N 347.462 4.037 0 40 EIAB COc1c2occc2c(OC)c2c(=O)cc(/C=C/c3ccncc3)oc12 13209192 MJNICEUQNNQEBA-ONEGZZNKSA-N 349.342 4.122 0 40 EIAB CCCn1c(NC(=O)c2cc(Cl)ccc2F)nc2ccccc21 15586698 JVZKMLYYIZMXSI-UHFFFAOYSA-N 331.778 4.491 0 40 EIAB O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1OC(F)F 16724624 LMPFKONBYRXSGB-UHFFFAOYSA-N 347.239 4.439 0 40 EIAB NC(=O)c1ccc(COC(=O)c2sc3ccccc3c2Cl)cc1 16751522 XYUBCVARKLKPLO-UHFFFAOYSA-N 345.807 4.011 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 20110781 LQHQDBJIJCFWJL-JKSUJKDBSA-N 329.415 4.396 0 40 EIAB Fc1ccc(Br)cc1CNCCc1c[nH]c2ccccc12 20122470 IGUHTHPPUYAMDD-UHFFFAOYSA-N 347.231 4.402 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(C)cc1 20492727 BQGMZLCWCMLNSJ-KRWDZBQOSA-N 325.452 4.074 0 40 EIAB CCN(CC)CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 22075054 SPXNNAPUQPPLKE-UHFFFAOYSA-N 346.902 4.350 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CCC2 23951919 QLEDAKIRZVABDL-LBPRGKRZSA-N 336.391 4.079 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)cs1 24220592 VACMEPXHBKKWAK-NSHDSACASA-N 327.236 4.251 0 40 EIAB COc1cccc2sc(NC(=O)c3ccc(-n4cccc4)cc3)nc12 24762048 QSEXIYTYGMUTJE-UHFFFAOYSA-N 349.415 4.348 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1F 24832549 DHNDSDJXQGPYRT-UHFFFAOYSA-N 340.379 4.136 0 40 EIAB CCc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)o2)cc1 28576398 KTZSPGJUPLMMQH-HNNXBMFYSA-N 327.424 4.293 0 40 EIAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c(Cl)c1 29482879 RIOXYVADUZZYNZ-SFHVURJKSA-N 328.843 4.206 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(F)cc1F 30803164 CJDUDFUWBGCBKT-UHFFFAOYSA-N 348.374 4.262 0 40 EIAB Cc1cc(C(=O)NCCc2cccs2)c(C)n1Cc1cccs1 32738197 MPHJQVDBZQKYCF-UHFFFAOYSA-N 344.505 4.249 0 40 EIAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOC12CCCCC2 35671066 WOPLQGABEXJJPP-UHFFFAOYSA-N 346.814 4.128 0 40 EIAB Cc1nc2cc(NC(=O)c3csc(-n4cccc4)n3)ccc2s1 38679121 LXVOLZJTZMOEKK-UHFFFAOYSA-N 340.433 4.104 0 40 EIAB CC(C)N(C(=O)CNc1ccccc1OC(F)F)c1ccccc1 39987723 SGFMOFFCSOWIAU-UHFFFAOYSA-N 334.366 4.142 0 40 EIAB C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)cc1F 40024117 ILFXLDAUTGKUGJ-JTQLQIEISA-N 347.390 4.135 0 40 EIAB CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2OC)on1 40087380 LJZQKCQEBUYKDA-UHFFFAOYSA-N 342.420 4.074 0 40 EIAB Cc1cc(C)n(-c2cccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2)n1 40134059 FHZHDKZPFXEUIW-OAHLLOKOSA-N 338.238 4.012 0 40 EIAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 40868135 FENVGJZLOSBXIX-ZRDIBKRKSA-N 326.392 4.159 0 40 EIAB c1ccc(CNc2nc(NCc3ccccn3)nc3ccccc23)cc1 41151162 UWSYBXHUCKMVIS-UHFFFAOYSA-N 341.418 4.249 0 40 EIAB O=C(NC1CCC(O)CC1)c1ccc(SCc2ccccc2)cc1 48165930 OZRYBOIPEMAADE-UHFFFAOYSA-N 341.476 4.012 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1 78760564 MALSWKRVRXMZBE-UHFFFAOYSA-N 345.324 4.452 0 40 EIAB CC(C)n1cc(C(=O)NCCn2cnc3ccccc32)c2ccccc21 95476201 VJDBAPRZZPAMOV-UHFFFAOYSA-N 346.434 4.002 0 40 EIAB CC(C)(C)c1ccc(-c2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)cc1 95534025 QTILLFKUDOOBBW-INIZCTEOSA-N 340.858 4.471 0 40 EIAB Cc1cc(CNC(=O)CCc2ccc(C(F)(F)F)cc2)c(C)o1 96120547 DXWHVOBWWMEDPL-UHFFFAOYSA-N 325.330 4.164 0 40 EIAB CC[C@@](CNC(=O)Cc1c(F)cccc1Cl)(OC)c1ccccc1 96123740 CHXUPYCOLOWVNQ-IBGZPJMESA-N 349.833 4.090 0 40 EIAB CO[C@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1C 96389248 STOHFDDUYBRSKU-MRXNPFEDSA-N 325.433 4.327 0 40 EIAB CN1C(=O)/C(=C/c2cc(Br)ccc2F)c2ccccc21 96669515 UTRSXWSXZNOBGY-UKTHLTGXSA-N 332.172 4.105 0 40 EIAB CC(C)(C)[S@](=O)CCNC(=O)N(c1ccccc1)c1ccccc1 97082769 JNUYDQNDLJSRSC-DEOSSOPVSA-N 344.480 4.082 0 40 EIAB CCOc1ccc2c(c1)CN(C(=O)Nc1ccc3[nH]c(C)cc3c1)CC2 103588727 SPAFFGVMLOWFQV-UHFFFAOYSA-N 349.434 4.465 0 40 EIAB O=C(c1cc2ccccc2s1)N1CCC[C@@H](c2nccs2)C1 171644965 MYQFEHDHHHIHPY-CYBMUJFWSA-N 328.462 4.378 0 40 EIAB Cc1ncccc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 219045867 HYDHPHRQPREHBS-QGZVFWFLSA-N 346.883 4.364 0 40 EIAB O=C(Cc1ccsc1)N1CCS[C@H](c2ccccc2F)CC1 219125313 XUUKPRLQJFPGKA-INIZCTEOSA-N 335.469 4.137 0 40 EIAB COc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1C 222623299 UVPQFFVWGDCVDQ-UHFFFAOYSA-N 341.451 4.040 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Cl)cc1 223664187 YGFKMQJFVZAWNL-UHFFFAOYSA-N 331.843 4.446 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224285478 ZJDRUOBVBKZNOF-INIZCTEOSA-N 341.451 4.419 0 40 EIAB CSc1nnc(NC(=O)c2cc3c(ccc4ccccc43)o2)s1 224836778 UWFAONMKIIHPBA-UHFFFAOYSA-N 341.417 4.412 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1F 575609544 DGWRHHPGECRVTN-CQSZACIVSA-N 347.436 4.079 0 40 EIAB C/C=C/COc1ccc(CC[C@H](C)NC[C@]2(O)CCC[C@H]2C)cc1 1659882348 PWISFODCKMODBA-XMHOBFOFSA-N 331.500 4.103 0 40 EIAB Cc1cc(C)cc(NC(=O)N2CCC[C@H](COc3ccncc3)C2)c1 1776007911 LUKFVBUXMZGNAA-KRWDZBQOSA-N 339.439 4.021 0 40 EIAB O=C1N/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 73995 UFPCGALCDDIJGT-OQLLNIDSSA-N 347.201 4.086 0 40 EIAB CCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 86234 YUFPTFHRNMWWQN-CQSZACIVSA-N 342.449 4.215 0 40 EIAB CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1C 193510 ZHDBKSSPAMWYNC-UHFFFAOYSA-N 329.208 4.213 0 40 EIAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC 407285 PDNXKUQVKLZQRG-UHFFFAOYSA-N 338.359 4.150 0 40 EIAB biogenic CCOC(=O)CSc1nc(NC2CCCCC2)c2ccccc2n1 425526 BBHWFDJHUPGJNP-UHFFFAOYSA-N 345.468 4.030 0 40 EIAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCCC2)n1 510256 JRXQGNOVHHMHNW-UHFFFAOYSA-N 327.737 4.416 0 40 EIAB NC(=O)[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 1385440 BEZLDOICUYSEOS-LLVKDONJSA-N 349.139 4.024 0 40 EIAB CCOC(=O)CCCCCC(=O)c1ccc(Br)cc1 2567577 DDKXIHMPQREOJS-UHFFFAOYSA-N 327.218 4.145 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)COc1ncnc2sccc12 3316646 HXQVWOHHLILIAS-GFCCVEGCSA-N 341.436 4.222 0 40 EIAB O=C(c1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 3357436 QCHKXTXYJJAFSX-UHFFFAOYSA-N 341.410 4.116 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3462625 HTPWGHSESWPVEF-UHFFFAOYSA-N 346.814 4.095 0 40 EIAB CCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1CN1CCCCC1 5002294 YLCSCJISSHWCBB-BQYQJAHWSA-N 337.487 4.066 0 40 EIAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O 5241892 MSDQUZANKVBTGT-IBGZPJMESA-N 349.434 4.110 0 40 EIAB CCc1cccc(CC)c1NC(=O)Cc1ccc(OC)c(OC)c1 6125524 ZSRADVKQPSCHGV-UHFFFAOYSA-N 327.424 4.010 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 7403975 YHRLJVFNUPCEDU-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c(F)c1 8707271 DNZWILALOQYGDM-UHFFFAOYSA-N 344.333 4.279 0 40 EIAB Cc1cccc(-c2nc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)c1 8730866 XPOFJUIBAIHGDR-UHFFFAOYSA-N 348.189 4.248 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(F)cc3F)c(C)nc2c1 12606742 NEMSCOFTJANMPP-UHFFFAOYSA-N 328.318 4.082 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1OC[C@H]1CCCO1 12748836 XQSPULRDPXUHKQ-OAHLLOKOSA-N 345.826 4.459 0 40 EIAB O=C1CCCN1c1ccc(OCc2cc(-c3cccs3)on2)cc1 12803632 ZCLITSUSHQBODI-UHFFFAOYSA-N 340.404 4.109 0 40 EIAB Cc1ccc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)cc1C 12935886 KDEJEGREKYCJDQ-UHFFFAOYSA-N 329.469 4.129 0 40 EIAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCCCCC2)c1=S 13074062 BFCAJYARIJDNLA-UHFFFAOYSA-N 336.892 4.105 0 40 EIAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccsc2)cc1 13655428 UITQVAQHNBKARZ-OAHLLOKOSA-N 339.420 4.374 0 40 EIAB CCc1nn2c(C)c(C(C)=O)nnc2c1-c1cccc2ccccc12 14164785 VHJYBKCZOUPGSP-UHFFFAOYSA-N 330.391 4.018 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1 15190138 JRWJYRMLQHCAJB-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB COc1cc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1 15580791 USSQMJRJCRTVPF-UHFFFAOYSA-N 337.778 4.068 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCCCC2)cc1 20045465 KLHIBZYBGHEVHT-QFIPXVFZSA-N 348.490 4.480 0 40 EIAB COc1ccc(OC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 23227894 OLVHVMLBELNABM-UHFFFAOYSA-N 343.379 4.106 0 40 EIAB CCOc1ccc(Oc2ccccc2NC(=O)C2CCOCC2)cc1 23271637 QIVDZFMKYCJPBU-UHFFFAOYSA-N 341.407 4.243 0 40 EIAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 24584763 WTUMSBIGZZWXJT-ZDUSSCGKSA-N 343.477 4.347 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccsc1 24968942 RQHQOLPAYSPZGH-SFHVURJKSA-N 333.416 4.144 0 40 EIAB CCC(CC)c1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1 25319489 ZDJQWYALAXRNGS-UHFFFAOYSA-N 349.456 4.117 0 40 EIAB CC(C)OC(=O)C[C@H](NC(=O)C1CCCC1)c1ccccc1Cl 29026267 PTRGWJGNEBMRHY-INIZCTEOSA-N 337.847 4.029 0 40 EIAB O=C(CCSCc1cccc(F)c1F)Nc1cccc(F)c1 32778788 GGHSYCZEPWOAJB-UHFFFAOYSA-N 325.355 4.366 0 40 EIAB CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccc(C)cc12 38652104 RYPSDIIKCMQKQJ-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1OC 38756243 ILSMPTCRJZKTLQ-AWEZNQCLSA-N 349.496 4.191 0 40 EIAB COc1ccc(CCNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 40068693 AEBZBKXVHJZKQU-AWEZNQCLSA-N 346.858 4.294 0 40 EIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccccc1 40108471 ZPTBUTXGMFGYOI-CQSZACIVSA-N 346.268 4.129 0 40 EIAB Cc1cc(NC(=O)CCCc2ccccc2)n(Cc2ccccc2)n1 40132778 WXKJIHUIQQIYAH-UHFFFAOYSA-N 333.435 4.201 0 40 EIAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41096691 JDGUNOHVJSKUGW-MRVPVSSYSA-N 342.675 4.210 0 40 EIAB CCC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2OC(F)F)c1 69516131 SSULUVCYGYTBNB-UHFFFAOYSA-N 348.349 4.197 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)/C=C/c2ccncc2)c1 69875804 PSHFGZZEVPLDRN-CMDGGOBGSA-N 343.430 4.027 0 40 EIAB CCOc1ccc(NC(=O)c2cccnc2NC2CCCC2)cc1F 71911653 UICNDZADBRSPOX-UHFFFAOYSA-N 343.402 4.226 0 40 EIAB COc1ccc(C2(NC(=O)Nc3cccnc3Cl)CCCC2)cc1 72074866 NGPYBTQPCAVLBF-UHFFFAOYSA-N 345.830 4.335 0 40 EIAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1C(=O)c1ccccc1 72218896 UUHMASQEIDRTBD-FQEVSTJZSA-N 349.478 4.358 0 40 EIAB CC(=O)N1CCCN(Cc2cccc(OC(F)F)c2)c2ccccc21 81167757 YSGCPZLATKDUAA-UHFFFAOYSA-N 346.377 4.051 0 40 EIAB CC(C)C[C@H](O)c1scc(Br)c1Br 85390763 XDFWXMKLZHNXQZ-ZETCQYMHSA-N 328.069 4.353 0 40 EIAB COCCn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21 85876245 NSPKYIVJVOORGE-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB biogenic COc1ccc([C@@H](C)NCc2cccc(NC(=O)C3CCC3)c2)cc1 95419660 PRAFCOBFQAMKGW-OAHLLOKOSA-N 338.451 4.285 0 40 EIAB O=C(N1CCc2ccccc2C1)N1CCCCC[C@@H]1c1ccncc1 97164998 GYGBZSCKTYRROM-HXUWFJFHSA-N 335.451 4.177 0 40 EIAB CC(C)Oc1cccc(NC(=O)CSCc2ccccc2F)c1 222703321 BMWDWWHIJCNRKS-UHFFFAOYSA-N 333.428 4.485 0 40 EIAB Cc1ccccc1CSCC(=O)NCCOc1ccc(Cl)cc1 223397122 KMZKHMROIMGTMH-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)Cc1cccc(Cl)c1 223831030 XERZDNCTVYHOHW-UHFFFAOYSA-N 331.843 4.201 0 40 EIAB CCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224225472 DGHONWJYAUVGQT-UHFFFAOYSA-N 327.424 4.147 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 224659621 FGVUMVYANDJNBB-UHFFFAOYSA-N 333.362 4.238 0 40 EIAB Cc1ccc(Cl)cc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225076960 BGHLQKRZWHETIH-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCn1c(=O)sc2cc(NC(=O)c3cc4ccccc4o3)ccc21 225113519 FOZWSGDOSFZLIK-UHFFFAOYSA-N 338.388 4.081 0 40 EIAB COc1ccc(NC(=S)NC2CCCCCC2)c2cccnc12 225354348 DPWAWGWMVXZQQN-UHFFFAOYSA-N 329.469 4.253 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccnc(OC2CCOCC2)c1 253400914 MEFRUHNNHXXTJE-UHFFFAOYSA-N 340.423 4.015 0 40 EIAB CC(=O)[C@]12O[C@]1(C)C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254863320 LMVLICSGVDWDSM-IQPYEDJSSA-N 344.495 4.037 0 40 EIAB c1ccc2c(c1)CN(Cc1ccoc1)C[C@@H]2c1nccn1CC1CC1 306129733 ILHAYNHOHGJTTD-FQEVSTJZSA-N 333.435 4.034 0 40 EIAB O=C(Sc1nnc(COc2ccccc2)o1)c1ccccc1Cl 408621760 NQTFTNLELQQTTR-UHFFFAOYSA-N 346.795 4.235 0 40 EIAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(Cl)nc1 524733887 ZPLOCZVRDXDBDK-AWEZNQCLSA-N 331.828 4.216 0 40 EIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1c(F)cccc1F 618256041 DMPLVBISZBBDQC-LBPRGKRZSA-N 333.359 4.181 0 40 EIAB CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2coc3c2C(=O)CCC3)C1 644846138 NBOYOKTTYBYEER-INIZCTEOSA-N 337.419 4.412 0 40 EIAB CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C(C)C=C(C)N21 32767 ZBZSFJDMGPOLIH-UHFFFAOYSA-N 325.256 4.194 0 40 EIAB Cc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1 91254 YIJKXESPUJNJGY-UHFFFAOYSA-N 326.421 4.207 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cccs2)cc1 359409 KFAFOQPKASJZAX-MDZDMXLPSA-N 338.388 4.245 0 40 EIAB COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)o1 418541 XMRJHECHNNCVGF-UHFFFAOYSA-N 346.383 4.089 0 40 EIAB CCc1ccc2nc(Cl)c([C@H]3NC(=O)c4ccccc4N3)cc2c1 421621 VJDLBQPTSVUUEP-GOSISDBHSA-N 337.810 4.305 0 40 EIAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1N 1364494 OMVLRBMIVAODRE-UHFFFAOYSA-N 344.871 4.493 0 40 EIAB Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 1370449 XPZSKTMTRDBTQE-FGZHOGPDSA-N 348.490 4.311 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 2507976 FMNPCVNWRFPDCA-ADAARDCZSA-N 328.452 4.483 0 40 EIAB biogenic,in-vitro CC(C)Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 2624266 QUSNZRPHTSAEGL-UHFFFAOYSA-N 328.412 4.084 0 40 EIAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 2657978 SLIJEURHBVBMNI-JOCHJYFZSA-N 344.414 4.197 0 40 EIAB Cc1cccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 2699063 PNZLTTJLTYDDEO-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCCc2ccccc21 3355591 MNQUXNOBBYVKHS-NRFANRHFSA-N 331.415 4.412 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc(SC)ccc2Cl)c1 3430235 LETBMLSLEOMODM-UHFFFAOYSA-N 337.828 4.331 0 40 EIAB CCCCCc1nnc(NC(=O)c2cccc(OC(F)F)c2)s1 3557747 QTSKDUCZUYJWKY-UHFFFAOYSA-N 341.383 4.125 0 40 EIAB Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C 4061605 WDERIUXDHQTAPJ-UHFFFAOYSA-N 327.815 4.462 0 40 EIAB Cc1ccccc1CSC1=NCCN1C(=O)c1cccc(Cl)c1 4120022 MMZDSLWXSLRPLB-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB COc1ccc(-c2csc(N(CC(C)C)C(=O)C3CC3)n2)cc1 4169351 BDFALQYDJDMMMJ-UHFFFAOYSA-N 330.453 4.218 0 40 EIAB COc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4412079 HYZKAKLQEGSNFA-CABCVRRESA-N 336.218 4.221 0 40 EIAB S=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)NC1CCCCC1 5066079 OSWBJEHZSAJRKS-UHFFFAOYSA-N 341.524 4.344 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)c1 5460981 LWAMQDPMFXZCIC-UHFFFAOYSA-N 331.799 4.028 0 40 EIAB Clc1ccc2nc(CSc3ccc4c(c3)OCCCO4)cn2c1 5755375 WTGUMIPQVOSBTJ-UHFFFAOYSA-N 346.839 4.441 0 40 EIAB CCN(C(=O)Cc1ccc(OC)cc1)c1nc2c(C)cccc2s1 5938111 FMPLARKEMZTRID-UHFFFAOYSA-N 340.448 4.209 0 40 EIAB COc1ccc(OCCCC(=O)Nc2ccc(C)cc2Cl)cc1 6887266 MKBIYSNHCCBCAP-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)o1 7778877 AUMRUAPZRTVFTD-FGPSNTBJSA-N 342.435 4.318 0 40 EIAB O[C@H](COc1ccc(CNCc2ccccc2)cc1)c1ccccc1 7779651 CFEGXTUVJWYREU-JOCHJYFZSA-N 333.431 4.089 0 40 EIAB O=C(CCc1ccco1)N1CCC[C@H](c2nc3ccccc3s2)C1 8039776 FPTFMDGRPMTOMU-AWEZNQCLSA-N 340.448 4.228 0 40 EIAB O=C(NCCc1ccccc1)c1ccccc1OCc1ccccc1 8101795 JSXAXGSBFKIQFP-UHFFFAOYSA-N 331.415 4.238 0 40 EIAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)nn1C 9001797 ZLCCEWNFWKHXHX-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB CCOc1cccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 9187376 HOUWXRHCPIQPBM-UHFFFAOYSA-N 334.375 4.352 0 40 EIAB Cc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 9188013 KZCRIXPGDPSUAT-UHFFFAOYSA-N 330.884 4.146 0 40 EIAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccco4)nc3c12 9418322 FVENGOUMAKUWRX-UHFFFAOYSA-N 347.353 4.084 0 40 EIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1 10577733 APVVUCKHOOWUGZ-UHFFFAOYSA-N 341.411 4.288 0 40 EIAB Cc1nc2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc2[nH]1 10657003 SCUYVPOUAFFPMZ-UHFFFAOYSA-N 332.407 4.314 0 40 EIAB Nc1cc2ccccc2nc1C1CCN(C(=O)CC2CCCC2)CC1 12087790 IFJCXXCNIHIKFH-UHFFFAOYSA-N 337.467 4.103 0 40 EIAB Cc1c(C(=O)N[C@H](c2ccccc2)c2cccnc2)[nH]c2ccccc12 12148258 GXSANLLPDVCQKK-OAQYLSRUSA-N 341.414 4.391 0 40 EIAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cccc(F)c1 12235648 IVZAIFGXDVNLIC-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB COc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1 12415205 OSPXXHOIIJVAOS-UHFFFAOYSA-N 332.363 4.111 0 40 EIAB CCOc1ccccc1NC(=O)Cc1nc(-c2ccccc2)oc1C 12819728 AOUMVVVOWFATKF-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB CC(=O)Nc1nc2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2s1 13726675 RFLOXTCEPGBVNY-LBPRGKRZSA-N 347.484 4.199 0 40 EIAB S=C(NCCSCc1ccco1)Nc1ccccc1Cl 16313880 LAGVEOYEGKVZJN-UHFFFAOYSA-N 326.874 4.153 0 40 EIAB Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1N 20030746 BTEOVGSVWNWVKF-UHFFFAOYSA-N 333.229 4.209 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1Cl 22603476 FUKXMHMSDHJOEU-LSDHHAIUSA-N 346.789 4.180 0 40 EIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1csc2c1CCCC2 29351194 SSHCDWHNZYRNJU-UHFFFAOYSA-N 329.450 4.331 0 40 EIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(C)cc3)n2)cc1 32388438 YUDOOBVUPCMNRM-UHFFFAOYSA-N 337.448 4.318 0 40 EIAB CC(=O)c1ccc(-n2nncc2-c2cc(Cl)ccc2Cl)cc1 32929421 LXIAKKBCFYTXPW-UHFFFAOYSA-N 332.190 4.444 0 40 EIAB O=C(CCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1 32978423 CQVGUTBLDBLOGW-UHFFFAOYSA-N 340.448 4.228 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1OC 38754469 GIUSNCAMMXOLNU-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB CCC(C)(C)c1ccc(OC[C@@H]2CCNC2)c(Br)c1 42770996 BGMVLCYHBRYTPL-GFCCVEGCSA-N 326.278 4.125 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 46722312 MVWMPRLNZBHMPC-QZTJIDSGSA-N 349.365 4.150 0 40 EIAB O[C@H](CN(Cc1cccs1)C1CC1)c1cccc(C(F)(F)F)c1 48252596 AJBZTCLRXUIIOQ-MRXNPFEDSA-N 341.398 4.465 0 40 EIAB O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@H]1CCCO1 53748855 GGEWVPWDGXUNCQ-MRXNPFEDSA-N 328.387 4.039 0 40 EIAB CCc1nc(CCNC(=O)Nc2cc(Cl)cc(Cl)c2)cs1 58310341 PDGWHNNCOUWPIA-UHFFFAOYSA-N 344.267 4.377 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccc(OCC(C)C)cc1)CC(O)=N2 61719344 OMGSXPZEXOHPBM-CYBMUJFWSA-N 331.441 4.343 0 40 EIAB C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 63321331 NVSKYIIDYZNTTH-DYVFJYSZSA-N 328.416 4.149 0 40 EIAB O=C(c1ccc(Cl)nc1)N(c1cccc2cccnc12)C1CCC1 65575561 ZYTKSXHNBNONQA-UHFFFAOYSA-N 337.810 4.483 0 40 EIAB C[C@H](NC(=S)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 71800063 FZEUGVKSXDJKFJ-AWEZNQCLSA-N 335.476 4.162 0 40 EIAB Cc1cc(C)n(CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 86071010 WJVQDJWNKNAJPC-UHFFFAOYSA-N 346.862 4.097 0 40 EIAB FC(F)(F)c1cccc([C@H](NCc2cncs2)c2cccnc2)c1 90202911 LCLCLEBJZAHWIG-INIZCTEOSA-N 349.381 4.436 0 40 EIAB CC[C@H](C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)OC(C)(C)C 95436594 MOYILEPLUKUQQJ-FZMZJTMJSA-N 340.851 4.218 0 40 EIAB Clc1ccc(Cc2noc(C[C@H]3OCCc4ccccc43)n2)cc1 95959827 SKGWEVWSSKYVLW-QGZVFWFLSA-N 340.810 4.170 0 40 EIAB CC(C)(Br)C(=O)Nc1ccccc1C(=O)c1ccccc1 96179474 NAQYNXWNHZZUGL-UHFFFAOYSA-N 346.224 4.030 0 40 EIAB COc1c(Cl)cccc1NC(=O)N[C@H](c1nccs1)C1CC1 96434299 RYHPDJRYTLUQRL-LBPRGKRZSA-N 337.832 4.078 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1C 96725879 NJNNDZANBRYMIL-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@@H]2CC[C@@H](C1)N2C 100340591 FETLJBXPGXXLIH-IRXDYDNUSA-N 332.875 4.333 0 40 EIAB CSc1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)cc1 102567338 WZHDSKVITVYYRN-AWEZNQCLSA-N 326.450 4.118 0 40 EIAB C[C@H](NC(=O)N1CCC(n2ccnc2)CC1)c1cccc2ccccc12 103298912 QPLDKCAEQZWDIZ-INIZCTEOSA-N 348.450 4.144 0 40 EIAB Cc1cc(OCC(=O)n2cc(C(=O)O)c3ccccc32)ccc1Cl 216750384 ODVJMSURVXWUDN-UHFFFAOYSA-N 343.766 4.021 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccccc1OC 222544073 CCYWQZRRMDVONE-DOTOQJQBSA-N 327.424 4.038 0 40 EIAB COc1cc(CNC(=O)c2ccc(C)c(C)c2)ccc1OC(C)C 222754423 KMTPRGJFAJHTCJ-UHFFFAOYSA-N 327.424 4.029 0 40 EIAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 224702773 AEJLVLKEUPZQBH-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 224965867 AQRBOLDMJWSOKN-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB CC[C@@H](C(=O)NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 225608432 ZAKHOAQFWKPTTC-QZTJIDSGSA-N 331.843 4.074 0 40 EIAB O=C(Cc1ccccc1Cl)NCc1cccnc1-c1ccsc1 225644894 YIOQOQPVSBDHEV-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB COC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225655821 BAFMCCWYLFGOIO-UHFFFAOYSA-N 341.407 4.166 0 40 EIAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H]1C 238856907 XQHWJVYZQCZBNX-HPFXQQBRSA-N 332.488 4.056 0 40 EIAB CC(C)[C@H]1O[C@H]2c3cc(Cl)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257329635 XKUOUHSZYIMZSJ-XNISGKROSA-N 338.831 4.314 0 40 EIAB Cc1c(F)cccc1NC(=O)CSc1cccc2cccnc12 409008389 XUKIAHINWMASDF-UHFFFAOYSA-N 326.396 4.413 0 40 EIAB O=C(c1ccoc1C1CC1)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 585129024 VHLFLKIRIJWANH-CQSZACIVSA-N 335.407 4.053 0 40 EIAB CC(C)c1[nH]ccc1C(=O)NCCc1c[nH]c2c(Cl)cccc12 629880284 LQJCMUBYAJJNJF-UHFFFAOYSA-N 329.831 4.245 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2c(OC(F)(F)F)cccc12 1857793852 JKVVNXWVBFBTTD-UHFFFAOYSA-N 333.265 4.499 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 364612 FRAJIPDZQQHFJX-UHFFFAOYSA-N 345.398 4.244 0 40 EIAB COc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)C(C)C)cc1 553510 DIXALZSJTKUPDS-LJQANCHMSA-N 327.424 4.472 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCCC1 569739 ORSFUVOIPGQXFO-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C1CCCC1 1000056 BLHPDEHEIPCIIZ-UHFFFAOYSA-N 333.409 4.314 0 40 EIAB CCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 2069751 IJPOHOCKTDHYBZ-UHFFFAOYSA-N 331.799 4.468 0 40 EIAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 2647748 YKUHWPYSDVPDGV-UHFFFAOYSA-N 329.359 4.385 0 40 EIAB CSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1 3355363 VBEASQFMGGXGGR-UHFFFAOYSA-N 348.899 4.441 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc2c(c1)cc(C)n2C 4061520 OMVJXRRMMNKJNJ-UHFFFAOYSA-N 342.826 4.079 0 40 EIAB COc1ccc2c(c1)sc(/C=C/c1ccc(O)c3ncccc13)[n+]2C 5049322 NYEGDFUEJKWYBU-UHFFFAOYSA-O 349.435 4.159 0 40 EIAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c1 5053574 MFKQIYYTTCWZQU-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB Cc1c2c(cc(-c3ccccc3)[n+]1CCCCCC(=O)O)CCCC2 5157459 ZQVKMIJWJMYPTQ-UHFFFAOYSA-O 338.471 4.473 0 40 EIAB COc1ccc(-c2nnc(SCc3ccccc3C)o2)c(OC)c1 5171000 CABOACSPSYTLBL-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc12 5492369 BBCWLBGDVASUHB-GFCCVEGCSA-N 332.359 4.077 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 5946795 ZKLGUANXMSBPHD-UHFFFAOYSA-N 349.228 4.194 0 40 EIAB CCCOc1cc(C)c(C(=O)OCC[C@H](C)N2CCCC2)c(C)c1 6380701 GWKHMNYCAUJWBJ-KRWDZBQOSA-N 333.472 4.123 0 40 EIAB COC(=O)c1ccc(-c2ccc(CNCc3ccc(F)cc3)o2)cc1 7539112 VWYCSEOVMOLBRH-UHFFFAOYSA-N 339.366 4.162 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(F)ccc1C 7950501 MXAWIZGOOQFWPU-IBGZPJMESA-N 338.382 4.037 0 40 EIAB Cc1cccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1 8330103 VROPAEYEMNDOJQ-UHFFFAOYSA-N 340.423 4.117 0 40 EIAB O=c1c2ccccc2c(-c2cccs2)nn1CCOc1ccccc1 9596488 WTTVNZOSOAPOFX-UHFFFAOYSA-N 348.427 4.204 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cccc(F)c1 9827844 RRVYFKSGRJRDSS-UHFFFAOYSA-N 348.333 4.436 0 40 EIAB O=C(CSc1nncc(-c2ccccc2)n1)c1ccc(Cl)cc1 9970824 NBTZWPGSTRSSEF-UHFFFAOYSA-N 341.823 4.167 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NC(C)(C)C)cc2s1 12391169 NZJWOYUBIYZVKY-UHFFFAOYSA-N 327.453 4.232 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 12809204 QQFMOLYMULISNT-HXUWFJFHSA-N 349.430 4.447 0 40 EIAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(Cl)c1 12819503 WCDCWBMGSHUFPP-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB Cc1nc(-c2cc(C(=O)Nc3cccc(C)c3C)n(C)c2)cs1 12926875 PGWSPOLUIUSOTN-UHFFFAOYSA-N 325.437 4.326 0 40 EIAB CCOc1ccc2nc(NC(=O)c3cc(F)ccc3F)sc2c1 13014415 AUVUWNWQTLFFIN-UHFFFAOYSA-N 334.347 4.226 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F 13019276 GQQVPAQSKSDLBC-UHFFFAOYSA-N 345.704 4.256 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2Cl)c1 13649381 FDHYQUPUSSAUFF-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c(F)cccc1F 14903688 YHBCRRXIXWSYHH-UHFFFAOYSA-N 331.240 4.158 0 40 EIAB Cc1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 15351990 RKBNFJMGVMDZEE-UHFFFAOYSA-N 346.224 4.359 0 40 EIAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3cccs3)nc21 15842276 PJNMEPNSYJSGST-UHFFFAOYSA-N 325.441 4.224 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(C)C 16780602 MWGKFOWYJRXVAU-UHFFFAOYSA-N 337.416 4.149 0 40 EIAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(-c2ccccc2)cc1 17169328 IZDISIMSNFDTAX-UHFFFAOYSA-N 340.423 4.207 0 40 EIAB CCN(CC)c1ccc2c(C)c(CC(=O)c3ccccc3)c(=O)oc2c1 18194485 BAIXTWLYGNZCLZ-UHFFFAOYSA-N 349.430 4.373 0 40 EIAB COc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)C(C)C)cc1 19310873 ZHTJOPQMZDNLLZ-OXQOHEQNSA-N 341.451 4.284 0 40 EIAB CC[C@@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1 19501002 MJHDXHCGSGLKMX-GOSISDBHSA-N 331.481 4.283 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 20815046 LZGNPOJPYBCIKH-QMMMGPOBSA-N 327.211 4.018 0 40 EIAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H]1c1ccccc1 22328728 AOTYLXRDAOKUHX-FUHWJXTLSA-N 341.838 4.255 0 40 EIAB O=C(NCCC(c1ccccc1)c1ccccc1)NCc1cccnc1 24566900 CLYKYEVEIFXTCZ-UHFFFAOYSA-N 345.446 4.103 0 40 EIAB CCN(c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1)C(C)C 30639653 AKEAHTHPBWDFSH-UHFFFAOYSA-N 348.450 4.359 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C(C)C 30858969 IZQNWRMWSQSFME-MRXNPFEDSA-N 341.451 4.292 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c2cccnc12 31092099 FCNKUYXZHAGYCK-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB Cc1cc(C(=O)N(C)Cc2cccs2)c(C)n1Cc1ccccc1 31526758 SMGDOIWISTWBDE-UHFFFAOYSA-N 338.476 4.487 0 40 EIAB COc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@@H](C)[C@H]2C)cc1OC 35464678 XCRBJSLPMIXFOO-NJBCPNAKSA-N 328.408 4.494 0 40 EIAB biogenic,in-vitro Oc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2)cc1 35616517 NHERXPFJVXAMKV-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB O=C(NCc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 36063454 JIBYEVHFGNKKSG-UHFFFAOYSA-N 326.465 4.129 0 40 EIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2ccccc2F)on1 40087390 NGTIOTFMKNTXEX-LBPRGKRZSA-N 342.345 4.453 0 40 EIAB COc1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)cc1Cl 46077948 DULAHPCSYVARKZ-UHFFFAOYSA-N 347.798 4.071 0 40 EIAB Cc1cccc(-c2nnc([C@@H](C)N(C)Cc3cnc(C)s3)o2)c1 53144777 FZPKCIWYXUENEA-GFCCVEGCSA-N 328.441 4.003 0 40 EIAB CC[C@H](NC(=O)Nc1ncccc1C)c1nc(-c2ccccc2)c[nH]1 58156727 ZJAMMIRCAWZYJG-HNNXBMFYSA-N 335.411 4.053 0 40 EIAB C[C@H](NCc1nc(Cc2ccccc2)no1)c1ccc(Cl)cc1 58341550 XSDQRLLQSNEEAW-ZDUSSCGKSA-N 327.815 4.165 0 40 EIAB Cc1cc(NCc2ccc(C(=O)NC3CC3)cc2)nc2ccccc12 66387244 AOUOMXQYSWADPI-UHFFFAOYSA-N 331.419 4.048 0 40 EIAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 67898551 PHUUGYURECZFCE-INIZCTEOSA-N 333.863 4.150 0 40 EIAB biogenic,in-vitro Cc1csc(C2CCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)n1 69698582 HLABALOAHKITBM-UHFFFAOYSA-N 349.525 4.225 0 40 EIAB COc1cccc(C[S@@](=O)Cc2csc(C3CCCC3)n2)c1 69809244 HBIARMJUBXAESH-QFIPXVFZSA-N 335.494 4.258 0 40 EIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72214543 DGGPQGNLJWAWQK-INIZCTEOSA-N 333.476 4.246 0 40 EIAB CC(C)(C)OC(=O)NCc1ccc(N2CCCc3ccccc32)nc1 72225782 AZKZPBSZQKRQNV-UHFFFAOYSA-N 339.439 4.191 0 40 EIAB CCCN1CCCCC[C@@H]1Cc1c(C(=O)NC)sc2ccccc12 72370621 LWCQMVSOJBQFRD-OAHLLOKOSA-N 344.524 4.458 0 40 EIAB CN(CCc1ccccn1)c1ncc(-c2ccco2)c(-c2ccco2)n1 72396585 MAVWQQHVBKLMSW-UHFFFAOYSA-N 346.390 4.071 0 40 EIAB c1ccc(CN[C@H]2CCCN(CCCc3nc4ccccc4o3)C2)cc1 84539312 CORMOUVZLRXHEH-IBGZPJMESA-N 349.478 4.015 0 40 EIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1cccc(O)c1 89780608 PPHCULNHLPBHAW-MRXNPFEDSA-N 338.388 4.038 0 40 EIAB CC(C)OCc1cccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)c1 89887923 RVUKPELKAJZQRQ-SFHVURJKSA-N 346.471 4.225 0 40 EIAB C[C@@H]1CCCN1C1CCN(C(=O)CCCSc2ccccc2)CC1 89929861 UCMHGOGSQWASAH-QGZVFWFLSA-N 346.540 4.034 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3C3CCCC3)c2)cs1 95367612 QNDDRWNYXKTTFP-QGZVFWFLSA-N 329.469 4.241 0 40 EIAB CC[C@H](C)n1nc(NC(=O)C2(c3ccc(C)c(OC)c3)CC2)cc1C 95463241 INISISCWDKMSNN-AWEZNQCLSA-N 341.455 4.150 0 40 EIAB Cc1ccc(OCCCC(=O)Nc2ccccc2-c2cn[nH]c2)cc1C 96012131 KBTZUAAADRERLO-UHFFFAOYSA-N 349.434 4.491 0 40 EIAB C[C@@H]1CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C2=C(O)C1 102602568 GXIMBOBVUBELFW-OTYXRUKQSA-N 348.328 4.214 0 40 EIAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1 106686196 XLESMFXGFKNUEH-ATVHPVEESA-N 339.416 4.322 0 40 EIAB Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 143337978 AOBFLEWOXKDHFS-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCCCc1ccccc1 222797281 WLMZOEZTIULSKI-UHFFFAOYSA-N 325.452 4.112 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1nnc(SC(C)C)s1 222971437 GVRMVAAKCFQHSW-UHFFFAOYSA-N 337.470 4.078 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2CC)cc1 222999114 AMITYUKNNJQIJU-HOTGVXAUSA-N 325.452 4.456 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C)n1 225680312 FMQJGMQUFDVCKY-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1cccc(F)c1 408726154 QHRFPWZRTSYQSJ-OVCLIPMQSA-N 346.358 4.071 0 40 EIAB CC(=O)N1c2ccccc2C[C@H]1c1nc(C2CCC(C)(C)CC2)no1 585084320 JGMKTCWVPWIUFD-KRWDZBQOSA-N 339.439 4.404 0 40 EIAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1 530985 YCFOBHCDSXKNFP-UHFFFAOYSA-N 338.480 4.467 0 40 EIAB CC(=O)Nc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 818079 BHGTYOMWDAPTQC-NRFANRHFSA-N 346.434 4.406 0 40 EIAB COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2Cl)cc1 1392299 BMFURSFOVRGNAD-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1452410 BXVUTGCEVGEGDD-OAHLLOKOSA-N 338.451 4.050 0 40 EIAB CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)c(C)c2)N1 1849709 IESZLNMUODLFMA-GOSISDBHSA-N 345.899 4.419 0 40 EIAB CCOc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1 2639662 WKABREUFQGYWHR-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB Cc1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)s1 2795126 PZZHHKTYUJFVNW-UHFFFAOYSA-N 326.446 4.489 0 40 EIAB C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 3873365 LKAJKIOFIWVMDJ-WRYGONFVSA-N 328.500 4.118 0 40 EIAB world CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccccc1 4629571 FAZXMQSIGZORAV-FQEVSTJZSA-N 347.418 4.041 0 40 EIAB O=C(c1cccs1)N1CCN(c2cc(Cl)ccc2Cl)CC1 4858996 SXHVDWQQGBQZCO-UHFFFAOYSA-N 341.263 4.017 0 40 EIAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 5094059 JFSBBWZBQIMJGO-FQEVSTJZSA-N 347.462 4.042 0 40 EIAB COc1ccccc1CNC(=O)/C=C/c1cccc(C(F)(F)F)c1 5460307 IMISTDIIOWPBJB-MDZDMXLPSA-N 335.325 4.044 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1csc2c1CCCC2 5968135 XQJCTVBYHCEUHH-UHFFFAOYSA-N 344.432 4.195 0 40 EIAB CCOc1ccc(C(=S)N2CCc3ccccc3C2)cc1OCC 6964280 AOPIZIZQVZUYNL-UHFFFAOYSA-N 341.476 4.218 0 40 EIAB C[C@H](Cc1nnc(NC(=O)C2CCCCC2)s1)c1ccccc1 9095461 SIKOZLXRXVHHPV-CYBMUJFWSA-N 329.469 4.403 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 9156334 DAEDFMUZIWPMIU-INIZCTEOSA-N 342.464 4.115 0 40 EIAB Cc1ccc(C)c(NC(=O)CCCc2nc(-c3ccccc3)no2)c1 9196525 MMTGODOGHGPESU-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Cc1ccc2nc(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)cn2c1 12088211 YQVQMJJEFWAEGM-UHFFFAOYSA-N 333.435 4.245 0 40 EIAB Cc1csc(SCCC(=O)Nc2ccc(Cl)cc2F)n1 12910076 HQSTXWOOWOPYFP-UHFFFAOYSA-N 330.837 4.365 0 40 EIAB Cc1nc(COc2cccc(C(=O)Nc3cccc(F)c3)c2)cs1 12993475 LXTDIRKXERQMTJ-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3Cl)n2)cc1 13495229 MWJOLJFYDKYHMP-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB Cc1ccc2nc3c(c(C(=O)O[C@@H]4CCCCC4=O)c2c1)CCCC3 14253574 IJTZNDBNUKXFBN-LJQANCHMSA-N 337.419 4.091 0 40 EIAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F 14573973 GAUFRVPUTKAKHS-SECBINFHSA-N 329.268 4.475 0 40 EIAB COc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838529 HKNYHUIHLCUJKD-UHFFFAOYSA-N 327.767 4.277 0 40 EIAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NC)n2C 16162166 BGWMLPDODZXBGE-UHFFFAOYSA-N 326.827 4.421 0 40 EIAB COc1cc2ccccc2cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 16962304 HXALUEWPQDMVKI-AWEZNQCLSA-N 337.341 4.263 0 40 EIAB Fc1ccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)cc1F 19373746 GMTFCNMSXKWXLL-DLBZAZTESA-N 339.389 4.071 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CCSc2ccc(C)c(C)c2)c1 23120529 QVKIAJFBMKEAOA-UHFFFAOYSA-N 342.464 4.383 0 40 EIAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)sc1C 23201244 FWNAUORZVKEFMW-UHFFFAOYSA-N 340.404 4.463 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 24595423 QHZUCDXZXTWNQQ-KXBFYZLASA-N 327.424 4.038 0 40 EIAB O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 25681204 NXGDUQBUXJPLTG-NRFANRHFSA-N 347.458 4.228 0 40 EIAB O=C(NCc1cccc(COCc2ccco2)c1)Nc1ccccc1 31095684 ZRRZUIGRKMBBNS-UHFFFAOYSA-N 336.391 4.318 0 40 EIAB CCCCn1nc(C)c(/C=C/C(=O)NCc2cccs2)c1Cl 36333609 NNDLBFODLBHTRD-BQYQJAHWSA-N 337.876 4.036 0 40 EIAB CCc1ccc(CNC(=O)c2ccc(F)cc2Br)s1 36394008 BWYGPQCAFUOMCF-UHFFFAOYSA-N 342.233 4.142 0 40 EIAB CNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(C)cc3)c12 36618478 CPMIHPHSYGYVBV-UHFFFAOYSA-N 343.386 4.225 0 40 EIAB Cn1c([C@H]2CCCCN2C(=O)c2ccccc2F)nc2ccccc21 40156266 YJXJNEPVNFNVRF-GOSISDBHSA-N 337.398 4.080 0 40 EIAB O=C(c1ccc(C2OCCO2)s1)c1cc(Cl)ccc1Cl 43210439 PXXYKDPLRRCPBJ-UHFFFAOYSA-N 329.204 4.331 0 40 EIAB CCC[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 49580936 YLVRXFAZJKATJO-MRXNPFEDSA-N 341.842 4.208 0 40 EIAB Cc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3)c2)cn1 49604848 GHLIFRVERUJSEC-UHFFFAOYSA-N 328.419 4.152 0 40 EIAB CC(C)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 58357456 UTIAFICDQUIZMP-UHFFFAOYSA-N 344.505 4.282 0 40 EIAB CC(C)(C)c1ncc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cn1 58412282 RLWVQUWDIPEAJO-UONOGXRCSA-N 329.831 4.170 0 40 EIAB CCc1nnc([C@@H]2Cc3ccccc3CN2c2nc3ccccc3o2)o1 58433932 IOOFNLOFBIEQAX-INIZCTEOSA-N 346.390 4.077 0 40 EIAB O=C(Nc1scnc1-c1ccc(F)cc1)c1ccc2c(c1)COC2 69657212 FWDUYXRGDOZIRF-UHFFFAOYSA-N 340.379 4.232 0 40 EIAB CCCCC(=O)Nc1ccc2sc(-n3nc(C)cc3C)nc2c1 72229644 LBDNQKYFSRYOQO-UHFFFAOYSA-N 328.441 4.228 0 40 EIAB O=C(c1ccccc1)c1cccc(NC(=O)c2c(F)cccc2F)c1 72280487 FCXPDXCKLZOCQL-UHFFFAOYSA-N 337.325 4.448 0 40 EIAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccccc4)C3)o2)s1 72390090 JHSQZSNCRFPILO-INIZCTEOSA-N 339.464 4.486 0 40 EIAB Cc1csc(N(C(=O)/C=C/c2cncc(F)c2)c2ccccc2)n1 78551773 ZLNYVLMZYHUYOP-BQYQJAHWSA-N 339.395 4.364 0 40 EIAB COc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)c(C)c1 95097170 LRKZDPUQNSMGLM-UHFFFAOYSA-N 339.416 4.421 0 40 EIAB CC(C)[C@H](NC(=O)c1ccc2c(ccn2C)c1)c1nc2ccccc2[nH]1 96224187 AKNFYZMWEYHPNB-IBGZPJMESA-N 346.434 4.182 0 40 EIAB CC[C@H](NC(=O)Nc1ccc(OC(C)C)cc1F)c1nccs1 96415857 LDURJGGYRXYROG-ZDUSSCGKSA-N 337.420 4.342 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 96415978 LHYLBQKHYMTETJ-SMDDNHRTSA-N 347.484 4.468 0 40 EIAB COC(=O)c1cccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c1 101150870 IEDRHXZFGCQDBS-AZQQJEAVSA-N 341.451 4.408 0 40 EIAB CC1(C)O[C@]2(C)CC[C@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc2ccccc12 101152088 DFLHMSDIBOUJBH-NTGYJFACSA-N 336.435 4.402 0 40 EIAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCC2 102606989 FSIXZPXLTWNCOO-SGMGOOAPSA-N 347.480 4.178 0 40 EIAB CN(C)c1cccc(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 211143336 AEIMNNFUFXUIFA-IBGZPJMESA-N 340.492 4.073 0 40 EIAB O=C(COc1cccc2ccccc12)NCCCc1ccc(F)cc1 218911632 GITLUZVSPQGZQC-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(C)cc2)cc1 222893427 ATEHRPNKEWAXSR-OAQYLSRUSA-N 339.479 4.464 0 40 EIAB COc1cccc(NC(=O)NCCOc2ccccc2C(C)(C)C)c1 223742664 WWXKQCNVBGYIMI-UHFFFAOYSA-N 342.439 4.193 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1cccc(C)c1C 223950449 MBUFTESVVPKIOC-UHFFFAOYSA-N 329.465 4.224 0 40 EIAB Cc1cccc(-c2noc(CN(C)C(=O)c3cc(C)c(C)cc3C)n2)c1 225652746 IKLJTXMWKJLWIU-UHFFFAOYSA-N 349.434 4.242 0 40 EIAB CO[C@H](CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2o1 245187588 ZPNVNFXZLBZNBH-MRXNPFEDSA-N 347.773 4.343 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2C)cc1 408821087 CFLVEJFWRDFJEI-UHFFFAOYSA-N 325.408 4.304 0 40 EIAB O=C(Oc1ccc(N2CCCC2)cc1)c1ccc(Cn2cccc2)cc1 1524716130 YEKWTVWBGPYWNR-UHFFFAOYSA-N 346.430 4.356 0 40 EIAB Cc1cc(Cl)nc(Cl)c1C(=O)NCc1ccc(Cl)cc1 81507 VWVQOGTZHZAFNO-UHFFFAOYSA-N 329.614 4.280 0 40 EIAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2C)cc1OCC 147590 WWRXGVNELSXVHF-ACCUITESSA-N 326.392 4.411 0 40 EIAB COc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCCC2)cc1 169301 FDQKQZXEGPCBBA-SDNWHVSQSA-N 335.447 4.337 0 40 EIAB biogenic O=C1N[C@H](c2ccccc2)Nc2c1sc1nc3c(cc21)CCCC3 202897 JHMVTWZEQJYLKL-QGZVFWFLSA-N 335.432 4.029 0 40 EIAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(Cl)cc1)CC3 291953 RSKBMFRIKNKORO-UHFFFAOYSA-N 333.774 4.392 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 479331 PHYBSXOVAQCINT-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1ccc([C@@]2(CC(=O)N3CCCC3)CCO[C@H](C(C)C)C2)cc1 554071 YAWLRKLUJJGWHP-FPOVZHCZSA-N 329.484 4.080 0 40 EIAB OC1CCC(C(C2CCC(O)CC2)(C(F)(F)F)C(F)(F)F)CC1 2525244 XBRXKVAMKXNNGX-UHFFFAOYSA-N 348.327 4.200 0 40 EIAB O=C(COC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)s1 2636904 SMBXDHJQQQRQEO-UHFFFAOYSA-N 340.853 4.382 0 40 EIAB c1ccc(CCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3452423 UQQNTEHXHUJTPJ-UHFFFAOYSA-N 340.404 4.190 0 40 EIAB CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 4026234 RNKRHMVSDHMQGT-LHUKNYEISA-N 326.436 4.346 0 40 EIAB biogenic CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Cl)cc1 4498611 JGZJMPITKVAOCD-PTNGSMBKSA-N 334.872 4.073 0 40 EIAB O=C(/C=C/c1ccccc1Cl)OCc1nnc(-c2ccccc2)o1 4808250 DCLMSCQTPSHQAI-ZHACJKMWSA-N 340.766 4.147 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(Cl)cc1 4909997 HDBYTOGTQBLEQQ-QGZVFWFLSA-N 341.798 4.278 0 40 EIAB Cc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 4950750 YTOIGQDIJSVMTD-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)cc2ccccc21 4973436 QSTZFTOYFGKYSJ-UHFFFAOYSA-N 333.218 4.415 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)CSCc1nc2ccccc2s1 5062673 CIJCSNHYAHRNAI-CHWSQXEVSA-N 334.510 4.224 0 40 EIAB COc1ccc(C(=O)[C@@H](C)OC(=O)Cc2cccc3ccccc23)cc1 5714417 ZQIRYRPUSSCEHR-OAHLLOKOSA-N 348.398 4.206 0 40 EIAB O=C(Nc1ccc(Br)cc1Cl)c1ccccc1F 6260085 QAYWHDZVGZIDMW-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB O=C(NCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2o1 6281346 RTSYDGMYFSTTEJ-UHFFFAOYSA-N 348.446 4.075 0 40 EIAB Cc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn12 7498955 RAYJREMKMVCNNR-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB Cc1ccccc1N(CC(=O)c1cccs1)C1=NCCCS1 8415772 FUVZTNHFXLZEGP-UHFFFAOYSA-N 330.478 4.239 0 40 EIAB Cc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1Cl 8764184 DAJWHEOSOZWZCO-UHFFFAOYSA-N 335.794 4.343 0 40 EIAB Cc1cccc(OCc2nc(C)c(C(=O)NC3CCCCC3)s2)c1 8844220 BHTUTXLRJBAEDL-UHFFFAOYSA-N 344.480 4.401 0 40 EIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 9454251 RGKMCQDBSSZXAD-ZDUSSCGKSA-N 331.799 4.257 0 40 EIAB COc1ccc(CCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10323965 MXWZCPBWPLWQKB-UHFFFAOYSA-N 339.479 4.284 0 40 EIAB Cc1ccc(CCC(=O)NCCSCc2cccc(C)c2)cc1 10361218 CJJNXAUGRBPSLS-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB Cc1cc(NC(=O)C(C)(C)C)n(-c2nc(-c3ccccc3)cs2)n1 12441683 GGWSAFTZDVDZQW-UHFFFAOYSA-N 340.452 4.289 0 40 EIAB C[C@H](Sc1nnc2n1CCCCC2)c1nc2ccccc2s1 12812637 RWBWWNCWTWASKT-NSHDSACASA-N 330.482 4.468 0 40 EIAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)Nc1cccc(F)c1 12877210 RQQDGQQYGICWHI-UHFFFAOYSA-N 349.409 4.035 0 40 EIAB CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)s1 13012390 HSWRZUMBPLTJSF-SECBINFHSA-N 339.363 4.043 0 40 EIAB Cc1ccccc1Cn1c([C@@H](O)c2ccccc2)nc2ccccc21 13030689 YBOPNEMIHKPDIV-NRFANRHFSA-N 328.415 4.475 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 14219580 JDPOZFMHDUSWIZ-IBGZPJMESA-N 325.433 4.269 0 40 EIAB O=C(NCCSC1CCCCC1)c1ccc(N2CCCCC2)cc1 14400104 VBCLYTNSMACVOM-UHFFFAOYSA-N 346.540 4.473 0 40 EIAB Cc1c(Cl)cccc1NCC(=O)Nc1ccc(OC(F)F)cc1 15086737 GRBJUOKGRNRGHA-UHFFFAOYSA-N 340.757 4.300 0 40 EIAB O=C(Nc1ccc2nsnc2c1)C(c1ccccc1)c1ccccc1 15841324 WWJCXVINWCJQNH-UHFFFAOYSA-N 345.427 4.462 0 40 EIAB Cc1c(C(=O)c2ccc(Cl)cc2)cnc2cc3c(cc12)OCO3 16266582 NDDPCJNCCFWITR-UHFFFAOYSA-N 325.751 4.156 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccccc2)CC3=O)cc1 20633081 YAMLPWGSVGANNP-INIZCTEOSA-N 332.403 4.102 0 40 EIAB CCCc1noc(CN2CCC(c3nc4ccccc4s3)CC2)n1 22757666 QEJSHUIDJRFSFN-UHFFFAOYSA-N 342.468 4.011 0 40 EIAB CCc1nc(COC(=O)c2cccnc2Oc2ccccc2)cs1 24342348 IPDYGFQCWIVJTG-UHFFFAOYSA-N 340.404 4.250 0 40 EIAB COc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 29024720 HWXYWTRXJMOPBS-UHFFFAOYSA-N 341.407 4.034 0 40 EIAB CN1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 30028996 DIYWWBNBXYNLAM-QGZVFWFLSA-N 349.261 4.122 0 40 EIAB CCCCc1noc([C@@H](C)Sc2nccc(C(F)(F)F)n2)n1 32761086 PZEGLNLZEBKXKQ-MRVPVSSYSA-N 332.351 4.074 0 40 EIAB O=C1CCc2c(OCc3noc(-c4ccc(Cl)cc4)n3)cccc21 32789196 YBUCOKMHDXAXAR-UHFFFAOYSA-N 340.766 4.098 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccc(-n2nc(C)c3c(C)cc(C)nc32)cc1 32925590 RDZUTURAHQPZFX-BSWSSELBSA-N 346.434 4.417 0 40 EIAB C[C@H](NC(=O)CC(C)(C)C)c1ccc(OCc2cccnc2)cc1 36396013 LXQIXINTRGMDDW-HNNXBMFYSA-N 326.440 4.274 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1OC 38754467 GIUSNCAMMXOLNU-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB COc1cc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)cc(OC)c1OC 39979628 IMBLOKVOKWQGAT-HZPDHXFCSA-N 335.488 4.407 0 40 EIAB COc1ccc(OC)c(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 43280221 UOEVMDDJUQLYHG-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB CSCc1nnc(SCCCOc2ccc(Cl)cc2)o1 43878083 RIFTYOPIVOTXPB-UHFFFAOYSA-N 330.862 4.147 0 40 EIAB O=C(NCc1ccc(Br)cc1)Nc1cccc(Cl)c1 44845724 KAXMDCOKRADKAO-UHFFFAOYSA-N 339.620 4.424 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 58325113 MKOIRZZJRJZYCY-QZTJIDSGSA-N 326.827 4.030 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(C)c1 61108626 ODUBOIGUNQGZCA-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1F)n1c(-c2cccs2)n[nH]c1=S 64334350 JROAAHZWTOKHRS-VIFPVBQESA-N 348.428 4.008 0 40 EIAB CC(C)Cc1noc(CN[C@@H](c2cccnc2)C2CCCCC2)n1 65539730 YRILXHRVLGQBME-LJQANCHMSA-N 328.460 4.074 0 40 EIAB Cc1ccsc1CN(Cc1nccn1CC(F)(F)F)C(C)C 69585969 WHWYKLSKTMWFKO-UHFFFAOYSA-N 331.407 4.226 0 40 EIAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cn2ccnc2)cc1 69629188 GWCCFLHLJWCEDI-UHFFFAOYSA-N 348.450 4.376 0 40 EIAB C[C@@H](c1ccccc1Cl)N(C)CC(=O)N(C)Cc1ccccc1F 71954376 GCMPGUVPAXKEHT-AWEZNQCLSA-N 348.849 4.131 0 40 EIAB O=S(=O)(c1ccc2ccccc2c1)n1c(=S)[nH]c2ccccc21 72210125 KWEBFWVDPNMMTB-UHFFFAOYSA-N 340.429 4.089 0 40 EIAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCCCC1 72216709 KQNIOJSIHMRBHQ-HXUWFJFHSA-N 349.478 4.439 0 40 EIAB Cc1ccc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)c(=O)[nH]1 76066824 CDTFGARAAZTPRQ-QGZVFWFLSA-N 334.504 4.386 0 40 EIAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc12 79027419 GVXWENPMUXUHHM-UHFFFAOYSA-N 335.831 4.195 0 40 EIAB CC(=O)Nc1nc(CNc2ccccc2CCC(F)(F)F)cs1 89119306 MABXXKWMFMXRFQ-UHFFFAOYSA-N 343.374 4.209 0 40 EIAB NNc1cc(-c2nc(-c3cc(Cl)ccc3Cl)cs2)ccn1 89263552 KEUHGRKCXQBRAC-UHFFFAOYSA-N 337.235 4.465 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N(C3CCCC3)C3CCCC3)c2)o1 89736402 FWIASOIVIFROIR-UHFFFAOYSA-N 339.439 4.372 0 40 EIAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC[C@@H]1c1ccc[nH]1 95397420 XQOIZYLHXYPMSM-MSOLQXFVSA-N 327.403 4.152 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1cccc2c1ccn2CC(C)C 95478739 APNUTEJJYPEIGR-UHFFFAOYSA-N 339.439 4.473 0 40 EIAB CCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147743 PSHNLXZVJMJDPP-UHFFFAOYSA-N 347.374 4.290 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2ccc(OC(C)C)cc2F)c1C 96434370 ONZSYXFHNFJWHS-UHFFFAOYSA-N 334.395 4.090 0 40 EIAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC(c2noc3cc(F)ccc23)CC1 100773771 JBBSLHAKQMXMML-HUUCEWRRSA-N 342.414 4.109 0 40 EIAB COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c1OC 102730137 TTXVJOCFLPDBGL-INIZCTEOSA-N 340.379 4.214 0 40 EIAB C[C@@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@H](c2ccco2)C1 158424590 AOWQDWXCEBXKBY-BDAKNGLRSA-N 342.371 4.074 0 40 EIAB O=C(Nc1ccccc1)O[C@H]1[C@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 169297083 WALSPJVXZJWMIB-YSHGAJCASA-N 328.456 4.278 0 40 EIAB CCCOc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(SC)C3)cc1 206759444 QXIRALMFXVKPQK-IRXDYDNUSA-N 347.524 4.293 0 40 EIAB O=C(Cc1ccccc1Cl)N1CCS[C@H](c2ccco2)CC1 207009635 JFIIAVWVBATQHW-INIZCTEOSA-N 335.856 4.182 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(Cl)cc1 216237779 VXMIDPYDSGCMOH-GFCCVEGCSA-N 338.234 4.419 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1COc1ccc(C)c(C)c1 224285193 YBEYWQAQUVCFFN-UHFFFAOYSA-N 327.424 4.029 0 40 EIAB Cc1ccc(C)c(C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224700045 XNSXTCRRDDWLPG-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1 224927445 MCDQWMFQKJORSJ-SFHVURJKSA-N 342.414 4.222 0 40 EIAB Cc1ccccc1O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225081916 RFJDFWUBYPUTSS-AWEZNQCLSA-N 325.191 4.377 0 40 EIAB CC(C)OCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225376158 LVRXMAFEQPFWTM-UHFFFAOYSA-N 336.501 4.110 0 40 EIAB Cc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)n1 225520389 CSHACWSTRAQEIM-UHFFFAOYSA-N 333.460 4.466 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccsc3)CCCC2)s1 225680517 JPRJJCXEXUWSIV-GFCCVEGCSA-N 335.494 4.105 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2N)c(Cl)c1 226359339 GMUAOMCQOOUYDP-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB O=C1N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1 409090275 LWQILBHBUXTIPY-ZSOIEALJSA-N 339.222 4.219 0 40 EIAB CC1(C)CC[C@H]2CN(C(=O)Cc3ccccc3Cl)CC[C@@]2(C)O1 585285732 MIRQRXSEVHLVSS-HNAYVOBHSA-N 335.875 4.079 0 40 EIAB CC1(C)C[C@]2(CCCN2C(=O)C2CCCC2)CN1c1cccc(F)c1 1615153486 CYUOZBUTGIQXQX-OAQYLSRUSA-N 344.474 4.366 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 77586 JFMOUKPONCMESB-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB COc1ccc2nc(NC(=O)c3c(C)cc(C)cc3C)sc2c1 144529 UOSWSWNVMDXWHC-UHFFFAOYSA-N 326.421 4.482 0 40 EIAB Cc1csc(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)n1 528410 CWVIKCJOROSWRM-UHFFFAOYSA-N 343.404 4.176 0 40 EIAB biogenic CCOc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 544400 LVQANJPLDBHCHT-UHFFFAOYSA-N 344.418 4.073 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1CC)C2 1369852 XHKJFAGFDOQHKH-ROUUACIJSA-N 345.556 4.331 0 40 EIAB C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccnc2ncnn12 1383632 BYCLAFHVJAMNAZ-ZDUSSCGKSA-N 334.354 4.070 0 40 EIAB CCN(CC)CCC[C@@H](C)NCCCNc1cccc2cccnc12 1683240 FXVJBPPGUAHBBY-GOSISDBHSA-N 342.531 4.137 0 40 EIAB CC(C)CCOc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 3196523 RAIQLWWCCIKYPA-UHFFFAOYSA-N 331.387 4.268 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(OC(F)F)cc1 3274880 SZEGCUZOADMBFC-LLVKDONJSA-N 334.391 4.436 0 40 EIAB COc1ccc(NC(=O)c2ccc(Br)s2)cc1Cl 3352708 LYZZPTWXQRVKKC-UHFFFAOYSA-N 346.633 4.425 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1COc2ccccc2O1 3559609 WYYZQMGCFNBMAG-FQEVSTJZSA-N 331.371 4.132 0 40 EIAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)CC2=O 4046489 BMSMPYBXRWNIIJ-ZQEHOSSISA-N 331.500 4.103 0 40 EIAB N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccccc1 4427988 SCHRQZXONBCTSH-UHFFFAOYSA-N 333.174 4.471 0 40 EIAB CCCCCC1=NN(C(=O)c2ccc(C)cc2)[C@](O)(C(F)(F)F)C1 4904976 VRFMZBCRZDBOJV-MRXNPFEDSA-N 342.361 4.028 0 40 EIAB CCOCCCNc1c(C)c(C)nc2cc(-c3cccc(C)c3)nn12 4966200 VMTLDUOARFUDPI-UHFFFAOYSA-N 338.455 4.160 0 40 EIAB O=C(Cc1cccs1)Nc1ccc(-c2cn3ccsc3n2)cc1 5083822 JMNIRTWDIRTLAH-UHFFFAOYSA-N 339.445 4.306 0 40 EIAB COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)nn1 5259485 PBKDPDKQMJRBFI-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB O=C(Cc1coc2ccc3ccccc3c12)NCCc1ccccc1 5557955 XFUWMBCIKXJBFJ-UHFFFAOYSA-N 329.399 4.487 0 40 EIAB CCc1cccc(OCC(=O)Nc2cccc(Br)c2)c1 5558289 OARROXYFKWOUPJ-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB CCN(CC)c1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 5695283 HTRCNZTXOXOIKL-MRXNPFEDSA-N 325.456 4.280 0 40 EIAB O=C(Nc1ccccc1C(=O)OCc1ccccc1F)c1ccccc1 6150680 GQTKARNMZMVTIL-UHFFFAOYSA-N 349.361 4.435 0 40 EIAB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 7078329 OPXHVTHZKVMIBK-OJNRTJSBSA-N 346.858 4.483 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 7403988 ZRNNWRDYBNKWDU-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1F 7416291 DOJIEANXKCFVGO-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1F 7437329 VIIRPYDPEIMIDC-UHFFFAOYSA-N 346.833 4.005 0 40 EIAB CCc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1 8076017 WWADYCRCQXHPRP-UHFFFAOYSA-N 326.421 4.014 0 40 EIAB O=C1C[C@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1ccc(F)cc1 8570263 ZGZVCHFFRJYOSE-GFCCVEGCSA-N 342.320 4.202 0 40 EIAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)c(OC)c1 9154584 SFLPMQOUZICFAK-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB O=C(Cc1nc(-c2c[nH]c3ccccc23)cs1)NCc1ccccc1 9637968 WOPMWGUTNGIZKK-UHFFFAOYSA-N 347.443 4.150 0 40 EIAB CCCOc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 11914941 MLWRAPXEGJWDJG-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB Cc1ccc(OCCC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 13006074 DFYXPBLLCRQNMF-QGZVFWFLSA-N 345.439 4.256 0 40 EIAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 14268992 XLKJEAOXORPHON-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c1C 19824202 MDPXZEHHOMIXKA-UHFFFAOYSA-N 330.240 4.064 0 40 EIAB Cc1ncc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)n1 19937112 HCAMHKPMXCKACP-UHFFFAOYSA-N 335.432 4.497 0 40 EIAB Cc1[nH]c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2c1C 21709448 KFZTUAHQACORAX-UHFFFAOYSA-N 340.398 4.075 0 40 EIAB C[C@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 21905938 UDKSZBGSKKHDCO-GOSISDBHSA-N 336.479 4.206 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2ccccc2)o1 22008357 BRXMXWOREJINKH-QGZVFWFLSA-N 348.446 4.412 0 40 EIAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)[C@H]1CCCO1 25301888 VLDZGHMUIGGYSA-QGZVFWFLSA-N 349.789 4.176 0 40 EIAB Clc1cc(CNc2cnc3ccccc3n2)cc2c1OCCCO2 26137218 XZFODVPEBCNTTD-UHFFFAOYSA-N 341.798 4.057 0 40 EIAB Cc1ccsc1CNC(=O)N1CCC(Cc2ccccc2)CC1 26177757 QCZXFCOYBZFSFZ-UHFFFAOYSA-N 328.481 4.221 0 40 EIAB CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 32610320 PBPRZFYOVZIMSE-INIZCTEOSA-N 334.419 4.367 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)cc1OC 32895164 RNYGKDRRKKOFNP-INIZCTEOSA-N 345.826 4.335 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2Cl)c1C 32981798 AHNIDKFLECRZSO-UHFFFAOYSA-N 325.195 4.393 0 40 EIAB CCc1ccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1 32985335 PVYHYRAUWPSFLL-UHFFFAOYSA-N 327.811 4.340 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)cn3)s2)o1 33158722 QQHSKSBSNMDKGT-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB CCc1nnc(C2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)s1 38900568 GWBMPNRHXPGUSN-MRXNPFEDSA-N 343.496 4.000 0 40 EIAB O=C(c1cccc(Cl)c1)N(Cc1cccnc1)Cc1ccco1 40050053 GPADHBOSRSOROJ-UHFFFAOYSA-N 326.783 4.171 0 40 EIAB Cc1nc(/C=C/C(=O)Nc2ccc3oc(C4CC4)nc3c2)cs1 40081608 SITPMKONKGLPEE-FNORWQNLSA-N 325.393 4.122 0 40 EIAB Cc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C(C)C 41077028 FZTFZJJHZWXJFY-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB CCCc1noc([C@@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 48333570 RTTVCZHJMCFJPQ-KGLIPLIRSA-N 340.427 4.104 0 40 EIAB C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3o2)C1 48374750 IMHBYQMFUUXUMU-JSGCOSHPSA-N 338.411 4.029 0 40 EIAB CC(C)N(Cc1ccccn1)Cc1nc2ccccc2n1C(F)F 52218449 GBVVGTDADNWQJV-UHFFFAOYSA-N 330.382 4.237 0 40 EIAB C[C@@H](O)c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1 58218241 NBDQMYGULCORPB-LLVKDONJSA-N 338.329 4.080 0 40 EIAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCc1cccc(Cl)c1 58226593 GRVMRUQGUHDUSY-UHFFFAOYSA-N 340.814 4.005 0 40 EIAB Cc1cc(NC(=O)[C@H](C)SCc2cccc(C(F)(F)F)c2)no1 71877685 YYIPYZSIIHHPSL-JTQLQIEISA-N 344.358 4.262 0 40 EIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCC(C)CC2)cc1 72328662 HPNRGVFZCCRMLN-UHFFFAOYSA-N 341.455 4.128 0 40 EIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H]1CCCS1 97021734 HHNILSYVIMOIAD-QWHCGFSZSA-N 341.546 4.173 0 40 EIAB COc1cccc2cc([C@H](C)N[C@@H]3CCO[C@@]4(CCSC4)C3)oc12 108376757 AYNGBCPHNOORSQ-OHNRDTAOSA-N 347.480 4.147 0 40 EIAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 123393842 YATPIFKIZZKJFX-VNMDENKTSA-N 334.500 4.322 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccccc1C(C)C 222811975 OOOBQIOWVKIQCX-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccccc1 222994429 GRRRHEZWKPJPTG-FQEVSTJZSA-N 325.452 4.210 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223471886 WCPAJJYYOAKCSS-IAGOWNOFSA-N 341.451 4.265 0 40 EIAB CCc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 223679836 VKYKKDJRYIDGLY-UHFFFAOYSA-N 339.844 4.020 0 40 EIAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 224421899 DLOYHDPBVMVBEO-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264896 CNCUPUPLANUHDG-NSHDSACASA-N 327.815 4.412 0 40 EIAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900452 YRKQDBZRXLTYOU-YWZLYKJASA-N 348.487 4.493 0 40 EIAB FC(F)(F)Oc1ccc2[nH]c(C(F)(F)F)nc2c1Br 258839591 WCTQWCVBRWTTCR-UHFFFAOYSA-N 349.028 4.243 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c1C 409411848 MEGBFVYWFDILKS-HNNXBMFYSA-N 344.414 4.444 0 40 EIAB Cc1cc(N2CCC[C@@](C)(c3ccccc3)C2)nc(-c2ccncc2)n1 500433916 VEZZXISKLLMJOK-JOCHJYFZSA-N 344.462 4.405 0 40 EIAB COc1ccc(-c2cnc(NCc3ncc(C(C)C)s3)n2C)cc1 571257383 CFALUZLSPWZNFS-UHFFFAOYSA-N 342.468 4.288 0 40 EIAB O=C(O)c1cc2cc(CN3CCC[C@@]4(CC=CCC4)C3)ccc2o1 578369218 AJDRVPVNFZNGBS-FQEVSTJZSA-N 325.408 4.453 0 40 EIAB CS(C)(=O)=Nc1ccccc1NCCCOCCc1ccccc1 585137092 HUEGATQOASZZPW-UHFFFAOYSA-N 346.496 4.107 0 40 EIAB COc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776001514 XJLLNBPRUCYLPE-OALUTQOASA-N 325.452 4.262 0 40 EIAB O=C(Nc1ccc2ncccc2c1)c1ccccc1Br 325778 DBPSPIPMZPIEKW-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB CCC(=O)Nc1ccccc1C(=O)OCc1c(F)cccc1Cl 482508 YPVAIDDUESXKLB-UHFFFAOYSA-N 335.762 4.185 0 40 EIAB CSc1nc(N)c(C(=O)N(c2ccccc2)c2ccccc2)s1 1566693 ZHZGJKSCJQMOGC-UHFFFAOYSA-N 341.461 4.426 0 40 EIAB O=C(c1ccc(Br)cc1)c1ccccc1CN1CCCC1 2515557 USHLIQFILLKWRI-UHFFFAOYSA-N 344.252 4.276 0 40 EIAB COc1cccc(CCC(=O)c2ccc(Br)c(F)c2)c1 2516517 PDIAKKLFMUKQFJ-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB CCCC(CCC)C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 3911848 CJWTVZHDIFUULZ-UHFFFAOYSA-N 342.483 4.020 0 40 EIAB O=C(Nc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1 4033216 LWYGKOPWCTYUTD-UHFFFAOYSA-N 329.363 4.040 0 40 EIAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2ncsc2c1 4059547 HZQBDNRKYFWBCC-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB COC(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl 4941445 DYQBICQAVDUXQY-UHFFFAOYSA-N 329.739 4.125 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)OCCO2 6587922 IOBLKBPPXSLLKJ-UHFFFAOYSA-N 345.826 4.488 0 40 EIAB C[C@H](OC[C@H](O)CN1CCCCCCC1)c1ccc(Cl)cc1 6939131 LOYOOYSZLJKMLM-MAUKXSAKSA-N 325.880 4.045 0 40 EIAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccccc3F)cc2s1 7242024 GPHCFKZLPPDLSH-JTQLQIEISA-N 329.400 4.183 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1 7535509 QSGYCKUREIZNOI-UHFFFAOYSA-N 345.826 4.188 0 40 EIAB COc1ccccc1OCC(=O)N[C@@H](C)c1cccc2ccccc12 8072903 NATUYAJFWGMUAS-HNNXBMFYSA-N 335.403 4.105 0 40 EIAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=S)NC1CC1 8080643 BIPYUBNHFYHTKV-UHFFFAOYSA-N 340.492 4.124 0 40 EIAB Cn1ccnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12 8149069 CQEMVYXVAGVINI-UHFFFAOYSA-N 342.424 4.382 0 40 EIAB CSc1ncccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 8311916 HZWWZMPJJOHQDR-OAHLLOKOSA-N 332.856 4.338 0 40 EIAB COc1ccc2c(c1)CCc1cc(C(=O)N[C@H](C)C(C)C)sc1-2 8344613 HRQJFHOLAFWALG-GFCCVEGCSA-N 329.465 4.297 0 40 EIAB Cc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9063269 XZUTYSUUUZQWDS-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCCC1)O3 9575792 FDSNYQVUCLCCEO-UHFFFAOYSA-N 326.392 4.332 0 40 EIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2ccccc2o1 9755691 GZXIWOBGMORPBS-GFCCVEGCSA-N 344.411 4.279 0 40 EIAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 11585236 RJAHJUNNIZRWHX-LJQANCHMSA-N 342.402 4.088 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(C(C)=O)c1 11637192 HWCNNDWYIGCRPC-LJQANCHMSA-N 325.408 4.302 0 40 EIAB Cc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)c1 12756423 BUYCIMMQGQALPF-GJZGRUSLSA-N 343.496 4.182 0 40 EIAB O=C(CCc1ccco1)Nc1nc(-c2cc(F)ccc2F)cs1 12775947 ORIDBKZXGWIRPM-UHFFFAOYSA-N 334.347 4.253 0 40 EIAB C[C@H](CCc1ccco1)NC(=O)Cc1ccc(Cl)c(Cl)c1 12811348 FNVKIRBLSVTIOJ-LLVKDONJSA-N 326.223 4.266 0 40 EIAB Cc1noc(C(C)C)c1C(=O)N1CCC(Cc2ccccc2)CC1 12869968 AGVSLGNEPSYNNS-UHFFFAOYSA-N 326.440 4.201 0 40 EIAB O=C(Nc1nccs1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 12918197 KERJYMAUPQOAFO-KRWDZBQOSA-N 348.431 4.089 0 40 EIAB CCOCc1c(C(=O)N[C@H]2CCc3ccccc32)oc2ccccc12 12924444 XTSNVLXCPCMICB-SFHVURJKSA-N 335.403 4.387 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 13479703 NOPWFNUFMNOQQI-GASCZTMLSA-N 338.451 4.024 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1cccnc1Cl 15649717 CDXNSVLVQLSCHG-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB Cc1ccnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 17070650 MXYQMKTWKBYNBG-QGZVFWFLSA-N 335.432 4.257 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20143921 MYAAGMPJVFVUEG-UHFFFAOYSA-N 347.798 4.179 0 40 EIAB COc1ccc(OC)c(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 20744360 IGDBIMWPDDPQKW-UHFFFAOYSA-N 348.402 4.382 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2C)cc1 22072492 WCZNDNFOBYCOJO-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB O=C(CCc1cccs1)N1CCC[C@H](c2nc3ccccc3o2)C1 24693403 DZAIMFRZPIHPTE-AWEZNQCLSA-N 340.448 4.228 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1OC 30859174 FQPQWTDYDKPOCU-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1 31820645 BRSIUQRXYZSBRV-MRXNPFEDSA-N 349.390 4.013 0 40 EIAB Cc1ccc(C(=O)Oc2ccc(Cl)cc2Br)cn1 32895927 KGEIDYCTIAWUBB-UHFFFAOYSA-N 326.577 4.025 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1c(F)cccc1Cl 33138027 NYHFFOBZQXYCNZ-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB Nc1ccc(NC(=O)c2cc3ccccc3o2)c(Br)c1 36738463 QVTZRRCAFLYYFO-UHFFFAOYSA-N 331.169 4.030 0 40 EIAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@H]2CCCC[C@H]21 40082838 ADZLSLJKLLVYKX-KBXCAEBGSA-N 327.403 4.011 0 40 EIAB O=C(Nc1nccs1)c1ccc2ccn(Cc3ccccc3)c2c1 40287539 XJOSNJDJFKLOMZ-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(C(C)C)no3)n2)cc1 40496517 PVHDWXMPXCBXAB-NSHDSACASA-N 329.429 4.140 0 40 EIAB O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 46722302 MVWMPRLNZBHMPC-ROUUACIJSA-N 349.365 4.150 0 40 EIAB O=C(Nc1ccc(Cn2cccn2)cc1)c1ccccc1C(F)(F)F 47176995 OVIAVVDHASHBBV-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCC[C@H]1c1cccs1 48085053 VSTTVJUZWNURTQ-HNNXBMFYSA-N 342.468 4.112 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCOC1)C1CC1 48325751 RDANYJDXXIMACQ-MRXNPFEDSA-N 336.435 4.386 0 40 EIAB Cc1sc(CNC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1 55426713 QNAWGSMAODFHFP-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1ccccc1NC(=O)[C@H](C)Nc1cccc(COC(C)C)c1 58304666 AOJRSWGQOYQJPC-INIZCTEOSA-N 326.440 4.359 0 40 EIAB O=C(CNc1cc(CO)ccc1Cl)Nc1cccc2ccccc12 58369714 GYFLABAMTADATF-UHFFFAOYSA-N 340.810 4.036 0 40 EIAB CC(C)c1nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2s1 66873821 IYDOZQULOOTLAB-CHWSQXEVSA-N 344.436 4.025 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCC2)c(Cl)c1 68315148 AIIVWNYVEAAZES-UHFFFAOYSA-N 342.826 4.359 0 40 EIAB CS(=O)(=O)c1cc(C(=O)OC2CCCCCCC2)ccc1Cl 69197195 VENPUXIIDXWJAF-UHFFFAOYSA-N 344.860 4.013 0 40 EIAB Cc1nc(C(=O)Nc2nc(-c3cccnc3)cs2)c(C(C)C)s1 72402620 NIUTXGMDLZJHDE-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC/C=C/c1ccccc1 79439958 UPYWPYCSSYXYAJ-UEICXMAYSA-N 330.472 4.031 0 40 EIAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1cccc2cccnc12 85432501 RASNDUCJQQOXFF-QGZVFWFLSA-N 338.436 4.436 0 40 EIAB C[C@@H](NCCCc1nc(-c2ccncc2)cs1)c1cncc(F)c1 89669094 FDJQGEMCRRPTSU-CYBMUJFWSA-N 342.443 4.023 0 40 EIAB O=C(CC1CCSCC1)N(Cc1cccs1)CC(F)(F)F 95417313 SWVIDRZQAAIHPU-UHFFFAOYSA-N 337.432 4.172 0 40 EIAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccco2)CCC1 102681495 TXUIQPXLXNYXJB-KRWDZBQOSA-N 347.374 4.385 0 40 EIAB C[C@@H](Cc1ccoc1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 206662991 VSJZADSHULDLEB-AWEZNQCLSA-N 331.843 4.492 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)COc1ccccc1C 219313234 HTJZPKLLHAQZLZ-ROUUACIJSA-N 341.451 4.045 0 40 EIAB Cc1cc(NC(=O)C(C)(C)Br)cc(C)c1OC(C)C 225595619 UXSHYWIWDWCVSF-UHFFFAOYSA-N 328.250 4.203 0 40 EIAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C)cn1 225626549 ZXLQDLDEOHBGPY-UHFFFAOYSA-N 343.496 4.098 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 245338838 OVGURIZOSNHUCM-KYNGSXCRSA-N 332.403 4.323 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccccc1C(F)(F)F 575609563 DKERNESOFDIMSJ-UHFFFAOYSA-N 335.281 4.488 0 40 EIAB CC(C)(C)c1ncc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)cn1 585083093 JUQXQCMDKLTWBT-OAQYLSRUSA-N 337.467 4.012 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccccc1F 606440728 VILXWKXNGQWMDE-ZDUSSCGKSA-N 347.436 4.079 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CC2(CC(c3ccccc3)C2)C1 1776000658 DFPSBNZELSCQBE-UHFFFAOYSA-N 346.352 4.120 0 40 EIAB CC(=O)Sc1c(C(C)(C)C)nn2c3cc(C)c(C)cc3n(C)c12 349732 KORXBHOKWMOIDV-UHFFFAOYSA-N 329.469 4.379 0 40 EIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2)c1 427368 FPOARTKSESRDEM-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccccn1 541317 NKECKSNFNCEJGU-NRFANRHFSA-N 326.403 4.485 0 40 EIAB COc1ccc(-c2csc(N(C)C(=O)c3cccc(F)c3)n2)cc1 932876 YDVKZFLFHRDMKK-UHFFFAOYSA-N 342.395 4.234 0 40 EIAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc4ccccc24)N3)C1 1299798 PSXCIQYZYFBZTN-GOSISDBHSA-N 349.459 4.318 0 40 EIAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 2402571 RCBZWJPUDDUVKR-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CC(C)c1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 2501173 XQXQIOIYGHJLBZ-UHFFFAOYSA-N 327.409 4.163 0 40 EIAB O=C(COC(=O)C1CCCCC1)Nc1cc(Cl)ccc1Cl 3314114 YWFAPTIYBJYGBW-UHFFFAOYSA-N 330.211 4.055 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)CCc2ccccc2)ccc1Cl 3443811 NOBMGVWTHNJHDQ-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3cccc(Cl)c3)c(C)c2)no1 4742095 JHYVVXUOKOQXLT-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 4854188 XGMGIQILLWVMIE-IBGZPJMESA-N 335.382 4.264 0 40 EIAB Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)C)c1 5164582 OMTCMRIBHAPRHF-UHFFFAOYSA-N 348.446 4.196 0 40 EIAB Fc1ccc(CSc2nnc3ccc(-c4ccccc4)nn23)cc1 5167176 LZWITQNRMBEBCO-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB Brc1ccc2oc3c(N4CCCCC4)ncnc3c2c1 5195148 LMXJQUSXUBCNQW-UHFFFAOYSA-N 332.201 4.129 0 40 EIAB C[C@@H](OC(=O)c1cc(Cl)ccc1O)c1nnc(-c2ccccc2)o1 5298275 SKANFBSBBPWADX-SNVBAGLBSA-N 344.754 4.014 0 40 EIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2cc(O)ccc12 6615840 HWDVWHCWIJXQQA-FMIVXFBMSA-N 348.427 4.072 0 40 EIAB Cc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccc(F)cc12 6719947 RUAFZJLMHIQCOU-UHFFFAOYSA-N 343.339 4.244 0 40 EIAB CCc1ccc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2c1 6811270 QVUUFTFYZPEHMU-UHFFFAOYSA-N 327.767 4.261 0 40 EIAB CCCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccc(C)nc21 6817236 HWSUPBXYCJAXKH-UHFFFAOYSA-N 334.419 4.044 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(s1)CCCC2 6903872 JIPOAPYCONJNOI-UHFFFAOYSA-N 336.844 4.001 0 40 EIAB Cc1cccc(NC(=S)NCCSc2ccc(Cl)cc2)n1 7368100 RKGPTMSSVKYDSZ-UHFFFAOYSA-N 337.901 4.122 0 40 EIAB C[C@H](Sc1ccccn1)C(=O)NC(c1ccccc1)c1ccccc1 8704844 KSIISYITDQUPOK-INIZCTEOSA-N 348.471 4.468 0 40 EIAB COc1cc(C(=O)O)cc2c1OC(c1ccccc1)(c1ccccc1)O2 8729804 GPIAHEOCAUKJPB-UHFFFAOYSA-N 348.354 4.066 0 40 EIAB Fc1ccc2ncn3c(-c4ccc(Cl)cc4Cl)nnc3c2c1 8991508 NMUOYZKNXICHEQ-UHFFFAOYSA-N 333.153 4.390 0 40 EIAB CSc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 9738948 DQWYXJNKQKNUTL-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB O=C(Nc1ccccc1Cl)c1nn(-c2ccccc2)c2c1CCC2 9953268 LPHHVEIOEWRPBA-UHFFFAOYSA-N 337.810 4.267 0 40 EIAB CCc1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 10333567 RVJWMNVEPKEHHN-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB Cc1ccc(OCC(=O)NCCC2=CCCCC2)c2c1[C@H](C)CC2=O 11052703 LHFMWEZKBDNZBM-OAHLLOKOSA-N 341.451 4.070 0 40 EIAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 12539584 YHQVOYIXOVEIHO-AWEZNQCLSA-N 329.403 4.136 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12760129 YMLLXWOBUVHZOQ-UHFFFAOYSA-N 335.382 4.061 0 40 EIAB CCCCCCc1ccc(C(=O)CSc2nnc(N)s2)cc1 13005608 VYMHKRFORUELJO-UHFFFAOYSA-N 335.498 4.218 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 15670004 SRFHWMMKFJKXEB-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB COc1ccc(C[C@@H](NCc2ccccn2)c2ccc(OC)cc2)cc1 17317778 KUKJALMYICAZFF-JOCHJYFZSA-N 348.446 4.172 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1 20456893 YPANJTFNNFHCCK-IBGZPJMESA-N 337.394 4.453 0 40 EIAB Cc1ccc([C@H](C)NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C 22319842 XEKDXCQECAQJEP-KRWDZBQOSA-N 335.451 4.147 0 40 EIAB CN(C)C[C@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1 22893319 YUFQADXUXOUBQX-FQEVSTJZSA-N 333.435 4.264 0 40 EIAB Cc1ccccc1Cn1cnc2c(-c3ccccc3)csc2c1=O 23126374 XPVILXPJBKAUQH-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)c1cnn(-c2ccccc2)c1 23793085 JGHLHVHYAJONDF-UHFFFAOYSA-N 346.434 4.115 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 23954670 UYWVQISUDOXWOT-MRXNPFEDSA-N 337.463 4.384 0 40 EIAB Cc1cc(OCc2ccc(C(=O)NC3CCCC3)o2)ccc1Cl 27935731 OWUZGKLMUPARJB-UHFFFAOYSA-N 333.815 4.493 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccccc1F 31548371 OUWABMSYNIXKKG-UHFFFAOYSA-N 326.396 4.054 0 40 EIAB CCCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 35042194 LKFZRRQYEYFNRD-FMIVXFBMSA-N 340.242 4.286 0 40 EIAB Cc1cc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)no1 46898636 RVOUWPUPCJFBCU-QGZVFWFLSA-N 347.434 4.441 0 40 EIAB O=C(NCc1ccccc1)Nc1cccc(COCc2ccco2)c1 47602499 SKXGZBHMBUUWDL-UHFFFAOYSA-N 336.391 4.318 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1 47946201 MNVVODVVUNQSMD-CQSZACIVSA-N 341.411 4.180 0 40 EIAB Cc1nc2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc2nc1C 48303765 FYWBYWZPCCNLDF-YVEFUNNKSA-N 349.434 4.235 0 40 EIAB O=C(Nc1ccn(Cc2ccccc2)n1)NC1CCCCCCC1 48324821 MSUSJXVIVSQDQJ-UHFFFAOYSA-N 326.444 4.166 0 40 EIAB Cc1ncsc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 55016780 WNBULJHQCOQMSI-UHFFFAOYSA-N 348.431 4.327 0 40 EIAB Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)on1 70005616 CSDSQRGOECQDCH-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB Cc1cc(C(=O)CN(C)Cc2ccc(F)c(F)c2)c(C)n1C(C)C 71796285 XSTAPFLNOCBZDS-UHFFFAOYSA-N 334.410 4.279 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1nc(C(C)(C)C)ns1 71916300 CZQMGRGMXDKKNN-CYBMUJFWSA-N 347.488 4.236 0 40 EIAB O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCCC[C@@H]1c1nccs1 72286501 CFJIZSOFFPKXDY-LALPHHSUSA-N 348.418 4.279 0 40 EIAB Cc1cccc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)n1 89688909 AILAPRQWNYIHHD-UHFFFAOYSA-N 343.496 4.164 0 40 EIAB O=C(CCc1nnc(C2CCCC2)o1)N(CC1CC1)C1CCCCC1 89818364 RYWAQPLXMFMVNL-UHFFFAOYSA-N 345.487 4.231 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccccc1C(F)(F)F 100189113 URVSBLFEMKBFOG-GUYCJALGSA-N 333.357 4.066 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1C(C)C 103114759 LPLBSHKIEAEEOC-VIPLHTEESA-N 329.484 4.438 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1 223226675 JEJBIHOHLHNLMX-DLBZAZTESA-N 337.463 4.437 0 40 EIAB Cc1ccccc1O[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225081956 RFJDFWUBYPUTSS-CQSZACIVSA-N 325.191 4.377 0 40 EIAB COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl 225803280 LUNZPRXTOZOZOT-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CCN3CCC[C@H]3C2)cc1 253370123 MJNSRTOJKIISKU-SJORKVTESA-N 331.460 4.072 0 40 EIAB COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1nnc(C(C)C)o1 285360181 FDSXPMQCOPPKEQ-HOCLYGCPSA-N 329.444 4.175 0 40 EIAB Cc1cccc([C@H](C)NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)c1C 1627716147 HSCUHRJFYAOWRL-KRWDZBQOSA-N 345.446 4.355 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(SC)cc2)cc1 399729 AJHBMLNHWSRQNL-UHFFFAOYSA-N 330.409 4.229 0 40 EIAB O=Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 411764 JTBOXNJTXICJKY-UHFFFAOYSA-N 331.371 4.184 0 40 EIAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)C1CCCC1 425762 FGPOKTBVZIQNSB-UHFFFAOYSA-N 347.871 4.401 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 523570 WINOCSBMRDIJFZ-UHFFFAOYSA-N 343.386 4.247 0 40 EIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Oc1ccccc1 545904 KEELHXJSFMNJMO-UHFFFAOYSA-N 342.326 4.095 0 40 EIAB COc1cccc(/C=C/c2cc3c(cc2Br)OCO3)c1 1580279 RVXDVINLCNIICL-AATRIKPKSA-N 333.181 4.357 0 40 EIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCC2=CCCCC2)cc1 2631457 CRLOYGSODAVDFZ-CQSZACIVSA-N 346.496 4.132 0 40 EIAB CCCc1ccc(-c2nc(NC(=O)CCCC(=O)O)sc2C)cc1 2765111 FJCILFIXUVVJAG-UHFFFAOYSA-N 346.452 4.264 0 40 EIAB CC(C)(C)N(N)C(=S)Nc1cc(C(F)(F)F)ccc1Cl 3222770 WNWJBQGVERCSLB-UHFFFAOYSA-N 325.787 4.030 0 40 EIAB O=C(Nc1ccccc1)O[C@H]1[C@H]2CC[C@@H]1[C@H](N1CCCCC1)CC2 4020915 WALSPJVXZJWMIB-AITUJVMLSA-N 328.456 4.278 0 40 EIAB Cc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326773 QLVOALARBUEHRN-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB COc1ccc(CCCc2n[nH]c(=S)n2-c2ccccc2)cc1C 4735926 DTHHFJAWBZETEM-UHFFFAOYSA-N 339.464 4.422 0 40 EIAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 4814993 WBRYXGGTCDIRTB-RTBURBONSA-N 346.434 4.002 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccco2)o1 4828313 YWCDRRRZNIAYTP-UHFFFAOYSA-N 339.376 4.094 0 40 EIAB Clc1ccc(OCCCc2nnc3n2CCCCC3)c(Cl)c1 4980014 PETSBXDSRBYEBZ-UHFFFAOYSA-N 340.254 4.323 0 40 EIAB COCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 5008432 QVKYZQIIRMBQGG-UHFFFAOYSA-N 335.856 4.009 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 5862670 VHNMIEABHKHOQG-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 6168528 LOQGKAZXHSLWRT-RDJZCZTQSA-N 342.483 4.320 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(N)cc2)c1 7468316 RAGHWTFPHFFXEM-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C2CC2)c1 8132176 IFCGPACCVWYJHK-INIZCTEOSA-N 345.446 4.376 0 40 EIAB C[C@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccc2ccccc2c1 8226146 QOEZJEDASGJPBH-OAHLLOKOSA-N 336.410 4.438 0 40 EIAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(F)cc1 8707673 FKRCEDBJTIVLAR-SECBINFHSA-N 344.333 4.359 0 40 EIAB CN(CCc1ccccn1)c1nc(-c2cccs2)nc2ccccc12 8726373 MRMOVPHLMYDISL-UHFFFAOYSA-N 346.459 4.432 0 40 EIAB COc1ccc(OCCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 9217524 WFZMRXQAJNVSNK-MRXNPFEDSA-N 349.430 4.495 0 40 EIAB COc1ccc([C@@H](N[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9547866 VAHZNFBZMLURDU-QUCCMNQESA-N 325.452 4.332 0 40 EIAB Cc1csc(NC(=O)c2ccccc2OCc2ccc(F)cc2)n1 10554582 CBBSMDAFLZWQRK-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)OCCOc1ccccc1 12693096 RBWNELZFAKSJFQ-UHFFFAOYSA-N 336.387 4.086 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccccc1 12745716 VBPYEQNGTNYKNW-UHFFFAOYSA-N 328.462 4.452 0 40 EIAB Cc1ncsc1C(=O)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12753087 VQDWTCCWXAFTFS-VHRNVKJDSA-N 330.428 4.141 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccccc3O)on2)C1 13119830 AHOKGEPMVCQDBT-RBZFPXEDSA-N 340.423 4.088 0 40 EIAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ncccc1Cl 14076264 LVFXAGQAVPXRPC-NSHDSACASA-N 334.828 4.057 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 14109359 YXFLVBFGLWQYFI-DYVFJYSZSA-N 345.439 4.255 0 40 EIAB COc1ccc(C(C)=O)cc1CC(=O)Nc1c(C)cc(C)cc1Cl 15356265 XMRMCBACMNOWBZ-UHFFFAOYSA-N 345.826 4.349 0 40 EIAB CC(C)c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 16857369 XUGNVMACQGAZHA-UHFFFAOYSA-N 337.463 4.288 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(OC(C)C)cc2)cc1 20483980 AWGCFGBBTZEKHZ-UHFFFAOYSA-N 331.437 4.213 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)c(C)c1)NCC2 20506985 NTXTUAGTHQGWIM-OAQYLSRUSA-N 325.452 4.336 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCOc1ccc(F)cc1 22479979 IFESBLBBZZFIQX-UHFFFAOYSA-N 349.405 4.230 0 40 EIAB COc1ccc(C)cc1[C@H](C)N[C@H](C)c1nnc(-c2ccccc2)o1 25692647 NPEUOOJCDCSIKQ-LSDHHAIUSA-N 337.423 4.465 0 40 EIAB COc1ccc(OC)c(CN(C(=O)c2cc(C)c(C)s2)C2CC2)c1 25809517 BNIUFKDHNNFHIH-UHFFFAOYSA-N 345.464 4.187 0 40 EIAB CC(=O)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 32666244 ZPFAFSQOYDQSGC-UHFFFAOYSA-N 332.359 4.329 0 40 EIAB CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 34797424 RRHKBUYXWWDYGZ-MDASCCDHSA-N 331.456 4.305 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccccc2F)oc2c1C(=O)CC(C)(C)C2 40141148 UQNFECCTRHPCOK-LBPRGKRZSA-N 343.398 4.373 0 40 EIAB O=C(Nc1ccccc1-n1cccn1)c1cc2c(F)cccc2s1 48236570 MUCXKFIFSXZHSR-UHFFFAOYSA-N 337.379 4.478 0 40 EIAB COc1cc([C@H](C)NC(=O)C2CCCC2)ccc1OC1CCCC1 48332547 WRAVHEROAPGYQC-AWEZNQCLSA-N 331.456 4.384 0 40 EIAB C[C@H](N[C@H](C)c1ccc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 49580993 DVPNGKGMDSPZLN-CABCVRRESA-N 343.430 4.488 0 40 EIAB Cc1ccc(-c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1F 55503545 YQESFRYPXLGGTI-UHFFFAOYSA-N 326.352 4.359 0 40 EIAB C[C@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1Cl 58065844 JLQKGBQZKHSTQA-KSSFIOAISA-N 339.826 4.003 0 40 EIAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@H]3C(C)C)cc1 61718886 FSLCBZHHGYAZPA-LBPRGKRZSA-N 345.420 4.204 0 40 EIAB Clc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1 65185341 VIJIDBGTHHCOJU-UHFFFAOYSA-N 338.754 4.031 0 40 EIAB O=C(NC1CC1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 72285274 WBKUQSXXGRHZIY-UHFFFAOYSA-N 326.362 4.322 0 40 EIAB COc1ccc2c(ccn2CCC(=O)Nc2cccc3c2ccn3C)c1 72324479 ARUQYWATOOZBKS-UHFFFAOYSA-N 347.418 4.170 0 40 EIAB biogenic CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C)c(NC(C)=O)c1 74644508 WHDQVLNCNWLBMH-FQEVSTJZSA-N 336.435 4.103 0 40 EIAB C[C@](O)(CNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 75155397 BGZRVESDVJYRQL-QFIPXVFZSA-N 346.430 4.383 0 40 EIAB CC[C@H](C)CN(C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 76018672 NGVCIEGURGOGJY-AWEZNQCLSA-N 334.460 4.063 0 40 EIAB Cc1cc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)no1 95413194 VVOROYDALOQDAT-SECBINFHSA-N 325.195 4.049 0 40 EIAB Cc1ccc(CNc2cccc(COCC(F)(F)C(F)F)c2)nc1 95416635 KHORCIMJYZFSJF-UHFFFAOYSA-N 342.336 4.419 0 40 EIAB COc1cc(OC)cc(C(=O)c2ccc(Br)cc2C)c1 95916737 QDRIBXDHWALWHB-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB C[C@@H](CSC(F)(F)F)NCc1ccc(Br)cc1 95918386 CCLJFQIPQSGNNK-QMMMGPOBSA-N 328.197 4.180 0 40 EIAB CCc1nc2c(s1)[C@@H](OC(=O)CC1CCC(OC)CC1)CCC2 95976221 ZIJNKJKEJGECJE-PIMMBPRGSA-N 337.485 4.221 0 40 EIAB Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)c1cccc(Cl)c1 95978406 FEXNOANGPNBYHG-UHFFFAOYSA-N 333.863 4.203 0 40 EIAB Cc1nc2ccccn2c1C(=O)NCc1ccccc1-c1ccsc1 96383240 MHUVWZHNSGFKSV-UHFFFAOYSA-N 347.443 4.301 0 40 EIAB COC[C@@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 96417956 YVZVFFUGFRNPMH-CQSZACIVSA-N 334.485 4.222 0 40 EIAB C[C@H](OC(=O)[C@@H]1CC1(Cl)Cl)c1nc2ccccc2n1C(F)F 97010009 LDFRMINIFRRKCQ-YUMQZZPRSA-N 349.164 4.229 0 40 EIAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 98211002 OKBIJWPUTWBGJD-CQSZACIVSA-N 329.400 4.117 0 40 EIAB O=C(Nc1ccccc1)c1ccc(COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102594355 YDWBLIKIUHTVNR-QRFRQXIXSA-N 347.414 4.194 0 40 EIAB CCOC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 109768258 BXOHQRUQTRVMKD-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1cnc2ccsc2c1 110704152 JYHJNCFERKXGDJ-JDFRZJQESA-N 334.510 4.002 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3C)s2)cc1 136372990 ZPDMHYQYOXUEES-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCS[C@H](c2ccccc2)CC1 211141688 FJURAWRWCYQKJV-KRWDZBQOSA-N 333.403 4.285 0 40 EIAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCCC2)cc1 222778061 ZBKZJHWGALFPII-UHFFFAOYSA-N 344.458 4.366 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(F)cc1 223176732 YTVUKFCEKPNXDN-SFHVURJKSA-N 341.426 4.485 0 40 EIAB CCCOc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 223615203 QOVJYUBOKZRFPQ-UHFFFAOYSA-N 349.430 4.437 0 40 EIAB Fc1ccc(C2(CNC(=S)Nc3cccnc3)CCCCC2)cc1 224007018 ZPEAEENUOQSRPD-UHFFFAOYSA-N 343.471 4.409 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1OC 224054943 XAQDVJBOACZRSU-DYVFJYSZSA-N 347.842 4.383 0 40 EIAB CCOc1ccc(C(=O)N(CC)CC)cc1COCc1ccccc1 224750322 RMSOJEDHGCEKBH-UHFFFAOYSA-N 341.451 4.284 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)NC(C)(C)Cc1ccccc1 225050567 MPBKKBIOUHVRQL-CQSZACIVSA-N 331.843 4.245 0 40 EIAB Cc1ccccc1CSCCNC(=O)Cc1ccccc1Cl 225435731 PVPIJDJOVGQUPG-UHFFFAOYSA-N 333.884 4.241 0 40 EIAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(C)n1 225626585 UTXYMGKPZNBHRK-UHFFFAOYSA-N 343.496 4.098 0 40 EIAB Cc1ccc(-c2nnc(CN(C)C(=O)CCCc3ccccc3)o2)cc1 408714807 WZOMNZGHDJLASU-UHFFFAOYSA-N 349.434 4.026 0 40 EIAB O=C(COc1ccsc1)N(C1CC1)[C@H]1CCCc2ccccc21 503487695 OPZNELVGNYMCBL-SFHVURJKSA-N 327.449 4.196 0 40 EIAB O=C(NCCc1ccc(-c2ccco2)s1)c1cc2ccccc2[nH]1 2086896775 FJVHYDYRDAXEDI-UHFFFAOYSA-N 336.416 4.462 0 40 EIAB O=C1c2[nH]nc(-c3ccco3)c2[C@H](c2ccccc2)N1c1ccccc1 104200 ZWSKNVBMENBWGN-FQEVSTJZSA-N 341.370 4.420 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1OCC 147453 KANFGPJQUKBZAH-WUXMJOGZSA-N 329.371 4.275 0 40 EIAB CCCn1c([C@@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 200807 VCZKDHCIRNIXDH-CYBMUJFWSA-N 325.387 4.076 0 40 EIAB CCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 508124 XHCQZVXTIUUGLN-PTNGSMBKSA-N 327.767 4.083 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(Br)c(C)c1 1017132 PKZVXEHVVYYMDZ-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB OCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 2330326 CNFLGZPJSLFTDN-UHFFFAOYSA-N 335.234 4.316 0 40 EIAB Cc1cc(C)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)c1 2635313 JWTKAVGMNCBXLP-INIZCTEOSA-N 340.448 4.053 0 40 EIAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnccn1 3325777 DSSQJCNMKWRWEI-UHFFFAOYSA-N 325.755 4.175 0 40 EIAB Brc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1 3331444 SAGJEYRZFHOCRK-LBPRGKRZSA-N 339.258 4.164 0 40 EIAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 3494293 HFDNIONJDVAWRG-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 4692057 LZCICCXBBYHFCF-LKQBQBBDSA-N 346.511 4.164 0 40 EIAB CCc1ccccc1NC(=O)Nc1cn(CCOC)c2ccccc12 5266472 ABPKTJVQLKJAGL-UHFFFAOYSA-N 337.423 4.494 0 40 EIAB Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccncc3)n2)cc1 5335758 XPIKNBNARYDNDT-UHFFFAOYSA-N 339.402 4.037 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3o2)c1 5628612 SCGOBQWIXUZMGM-LBPRGKRZSA-N 340.404 4.150 0 40 EIAB N#C/C(=C/c1cccs1)C(=O)Nc1cccc(Br)c1 5756883 QZUUJWMFDITCMC-YFHOEESVSA-N 333.210 4.056 0 40 EIAB O=C(CCc1ccccc1)Nc1ccccc1C(=O)c1ccccc1 5773313 RGQAPWLHDSRXRZ-UHFFFAOYSA-N 329.399 4.489 0 40 EIAB COc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1Cl 5841906 IRVRYTXPEVUKCK-UHFFFAOYSA-N 346.814 4.195 0 40 EIAB CC[C@H](C(=O)OCc1cc(=O)oc2cc(C)ccc12)c1ccccc1 6168323 MFMQHHUGAQQNGN-KRWDZBQOSA-N 336.387 4.338 0 40 EIAB O=C(Nc1cccnc1)c1ccccc1COc1ccc(F)cc1F 6402693 YGGAVMQCKUZWKM-UHFFFAOYSA-N 340.329 4.191 0 40 EIAB Cc1cc(C)cc(-n2ccnc(NCc3ccccc3Cl)c2=O)c1 6914967 FHVYLAJIXDHMSP-UHFFFAOYSA-N 339.826 4.115 0 40 EIAB O[C@@H](CNC1CCCCCCC1)COc1ccc(Cl)cc1Cl 7141366 OSTZMCUONMAMNO-HNNXBMFYSA-N 346.298 4.436 0 40 EIAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)c1 7615825 XGIMCURDOCGYPC-KRWDZBQOSA-N 347.418 4.182 0 40 EIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(Cl)cc1 7945812 NZZUNQHNMZRQIF-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB CC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1 7957453 OTFXAWYHZJHHQQ-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB C[C@]12C[C@H](NC(=S)N1c1ccccc1)c1cccc(Cl)c1O2 8023717 XXHILIDXRKYVAM-YOEHRIQHSA-N 330.840 4.275 0 40 EIAB CCOc1ncccc1C(=O)Nc1ccccc1NC1CCCCC1 8404108 QKMSROVHPDTCMV-UHFFFAOYSA-N 339.439 4.477 0 40 EIAB Cc1cccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)c1 8414544 CJONQZTWEKYADB-UHFFFAOYSA-N 342.439 4.316 0 40 EIAB CCOc1ccc(C(C)=O)cc1COc1nc2ccccc2nc1C 8478699 NVUJAZPSPOPKDB-UHFFFAOYSA-N 336.391 4.119 0 40 EIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]nc1-c1ccccc1 8725467 IFKFISOWGZJXBG-UHFFFAOYSA-N 346.434 4.319 0 40 EIAB Cc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)on2)cc1 8869074 YPJJQOCSDYDNDM-UHFFFAOYSA-N 342.782 4.321 0 40 EIAB Fc1ccc(CNc2nnc(SCCc3ccccn3)s2)cc1 10422792 DQLJTGWHMAOEAP-UHFFFAOYSA-N 346.456 4.019 0 40 EIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 10448355 IGKRMXZOVIVPCJ-OAHLLOKOSA-N 331.843 4.349 0 40 EIAB CNc1ccccc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 11150025 WKBTXTUJRHMMNU-UHFFFAOYSA-N 342.782 4.394 0 40 EIAB CC(=O)Nc1ccc(NCc2cc3cc(C(C)C)ccc3[nH]c2=O)cc1 12144326 PITASTGWKPSLAW-UHFFFAOYSA-N 349.434 4.222 0 40 EIAB CCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1cccs1 12200150 HMOXYEPKUSJFBZ-MRXNPFEDSA-N 342.464 4.146 0 40 EIAB Cc1cc(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc(C(C)C)n1 12615944 PUBJAEIQWXAPMB-CYBMUJFWSA-N 347.459 4.017 0 40 EIAB CC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 12809237 HKJRVCXHCMSPIQ-HNNXBMFYSA-N 349.434 4.076 0 40 EIAB CCCOc1c(Cl)cc(C(=O)NC2CCCC2)cc1OCC 12818012 TZOOHKDBRMZDFB-UHFFFAOYSA-N 325.836 4.200 0 40 EIAB Cc1ccc(CN(C)C(=O)CN(C)Cc2ccc3ccccc3c2)cc1 12896763 LZANYIXSIVVBJI-UHFFFAOYSA-N 346.474 4.239 0 40 EIAB COC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1 12998012 FUVHUXFTSPXZJE-UHFFFAOYSA-N 345.398 4.320 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(C)(C)C 16780603 WLUGDTOOODFEPO-UHFFFAOYSA-N 347.480 4.410 0 40 EIAB COc1cc(OC)c(OC)cc1/C=C\c1nc2ccccc2s1 17061441 JPYUAQHFVZDAOO-HJWRWDBZSA-N 327.405 4.493 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(F)cc1Cl 19601137 PSJAPLMLTIGQFK-UHFFFAOYSA-N 329.705 4.011 0 40 EIAB Cc1ccc([C@@H](NC(=O)[C@H]2CC2(Cl)Cl)c2ccccc2)cc1 23683825 LZMLYMKRCLFSMF-CVEARBPZSA-N 334.246 4.394 0 40 EIAB CCOCc1ccccc1CNC(=O)c1sccc1-n1cccc1 30177862 HLKIOPNPMBHFBQ-UHFFFAOYSA-N 340.448 4.005 0 40 EIAB Cc1nc(NC(=O)[C@H]2Cc3ccccc3O2)sc1-c1ccccc1 31967927 CLUAXDVMMGZFGR-MRXNPFEDSA-N 336.416 4.061 0 40 EIAB Cc1cc2oc(C(=O)Nc3ccnn3Cc3ccco3)c(C)c2cc1C 32593422 AYMDDDIBSHDPBQ-UHFFFAOYSA-N 349.390 4.448 0 40 EIAB CCN(c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1)C(C)C 32870362 WYABNJUXQFRPOD-UHFFFAOYSA-N 341.411 4.294 0 40 EIAB CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 40095889 NTSLVVIIPBBFGG-UHFFFAOYSA-N 337.192 4.252 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)OCO2 41450313 XKZBGYZNUBRFKX-UHFFFAOYSA-N 325.151 4.366 0 40 EIAB Cc1cc(OCCC2CCNCC2)c(Br)c(C)c1Cl 42770248 SDNBEJGDKLIUCR-UHFFFAOYSA-N 346.696 4.488 0 40 EIAB COc1ccc(CNC(=O)Nc2ccccc2SC(F)F)cc1 43552807 BEALEDPPLRGMSQ-UHFFFAOYSA-N 338.379 4.332 0 40 EIAB Cc1ccc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 44891572 HHFVZFWUMQVJGC-IBGZPJMESA-N 333.435 4.168 0 40 EIAB Clc1ccc(Cl)c(-c2nc3cc(-n4cnnc4)ccc3o2)c1 45920395 MMWQQELFSQFYLC-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB O=C(Nc1ccncc1)N1CCc2sccc2[C@H]1c1ccccc1 56500544 ITDXPSFPBGCWKX-GOSISDBHSA-N 335.432 4.323 0 40 EIAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C1CCCCC1)C3 57405783 YFHMJQJLODBRLA-UHFFFAOYSA-N 333.815 4.239 0 40 EIAB O=[S@@](Cc1cccc(F)c1)Cc1coc(-c2cccc(F)c2)n1 58045747 AHEOISCGPOTQHI-HSZRJFAPSA-N 333.359 4.069 0 40 EIAB CSc1nnc(CN2Cc3ccccc3-c3ccccc3C2)s1 60361230 KQIWQJXJWAGNPZ-UHFFFAOYSA-N 339.489 4.443 0 40 EIAB Cc1ncc(CN(C)c2ncnc3sc4c(c23)CC[C@@H](C)C4)s1 65493214 BCGSWBCBLYVRMZ-SNVBAGLBSA-N 344.509 4.217 0 40 EIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccsc2)c1 69567782 LYQRGVFIFHAQTL-UHFFFAOYSA-N 336.844 4.134 0 40 EIAB Cc1cccc(C)c1OCCn1c(CN2CCCC2)nc2ccccc21 76555524 VTBHLJFRSDSGFK-UHFFFAOYSA-N 349.478 4.328 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N1c2ccccc2CC[C@@H]1C 78036926 IJWHEDBVPYDELP-ZDUSSCGKSA-N 336.391 4.153 0 40 EIAB Cc1ccccc1-c1cc(NCc2c[nH]nc2-c2cccs2)n(C)n1 84247656 ANMFTPWXVYJWIV-UHFFFAOYSA-N 349.463 4.459 0 40 EIAB COc1c(F)cc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)cc1F 86283651 CCLAOXARHVPEIN-SNVBAGLBSA-N 336.338 4.324 0 40 EIAB C[C@H](c1ccc2ccccc2c1)N(Cc1cc(=O)c(O)co1)C1CC1 89905122 VDJIHEXQXHDBFV-CQSZACIVSA-N 335.403 4.224 0 40 EIAB CC[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 90966603 QUEQOOMYXCPJLE-HSMVNMDESA-N 326.278 4.446 0 40 EIAB CCN(CC)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 96428217 ACZNPNQVDKSLOL-ZDUSSCGKSA-N 331.391 4.125 0 40 EIAB CCc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)cc1 100069388 UROVDZPMWWQYQT-LWYYNNOASA-N 335.447 4.265 0 40 EIAB Cc1nc2ccccc2nc1S[C@@H]1C(=O)[C@@H]2CC[C@]1(C)C2(C)C 100928259 GCSYATYZPFDPDT-MOFZMDFASA-N 326.465 4.424 0 40 EIAB CC(C)Oc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 113945797 YLSVUGKQZUBHHP-UHFFFAOYSA-N 327.424 4.191 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(F)cc1 113970238 YPBVHLVTGIMCRP-QAPCUYQASA-N 329.415 4.477 0 40 EIAB FC(F)(F)Oc1cc2nc(C(F)(F)F)[nH]c2cc1Br 219000829 ILHYDFJVGHWRIE-UHFFFAOYSA-N 349.028 4.243 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)s1 222948830 VPBMZDWQHQBXBY-JKSUJKDBSA-N 331.510 4.224 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(F)cc1)CC(C)(C)O2 223271771 YOBISJVTCQWXJK-QGZVFWFLSA-N 327.399 4.095 0 40 EIAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1 223370803 VMISSLBNXPPGIN-UHFFFAOYSA-N 331.843 4.446 0 40 EIAB CCCC(CCC)OC(=O)c1snnc1-c1ccc(OC)cc1 223836862 WLOLLYDJQYPFAU-UHFFFAOYSA-N 334.441 4.339 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccccc1OC 224108104 GYNHJDLMWBOXMR-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(COC)c1 224453336 ZIVTWHFGNVKQEZ-IBGZPJMESA-N 327.424 4.246 0 40 EIAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1C 225432246 KYHPQTPHRDUBQH-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CCS[C@@H]1CCCC[C@H]1NCc1nnc(-c2cc(C)oc2C)o1 225549352 BAXFOZYYYZSFLH-HUUCEWRRSA-N 335.473 4.100 0 40 EIAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)c2cccnc12 225879471 KZCRVQJBVGWPFG-UHFFFAOYSA-N 347.629 4.332 0 40 EIAB Cc1cccc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(=O)oc12 226035869 LACZDFMQROVOLG-GFCCVEGCSA-N 341.794 4.246 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1c(C)cccc1C 408700438 GAFLIJJDTRXTHB-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Fc1ccccc1N1CC[C@H](c2nc(-c3ccc4cc[nH]c4c3)no2)C1 558510771 GOTSWPMNIZFIAP-HNNXBMFYSA-N 348.381 4.351 0 40 EIAB COc1ccc(C(=O)NC[C@@H](c2ccsc2)c2ccco2)cc1F 670319254 YJXKNEPMJBIKOE-AWEZNQCLSA-N 345.395 4.051 0 40 EIAB CN(C)C1CCC2(CC1)CN(C1CCCC1)Cc1ccccc1O2 1615157037 NPUKFTSYNNOCSF-UHFFFAOYSA-N 328.500 4.067 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1 484118 HGGAOFCVBOPVHT-UHFFFAOYSA-N 334.371 4.202 0 40 EIAB Cc1ccnc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 1719569 VOAKKKUITPJUEB-UHFFFAOYSA-N 332.359 4.008 0 40 EIAB CCSc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1 3544089 PIMJQCQSFSABEF-UHFFFAOYSA-N 335.479 4.106 0 40 EIAB Cc1cccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)c1 4072087 WQYFGZYYKCBWEG-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Oc1nnc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1 4105419 ILBMXKUDSGCGIU-UHFFFAOYSA-N 337.162 4.328 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C1CCCC1 5136984 QMUFWTWKMVBFRB-UHFFFAOYSA-N 332.444 4.107 0 40 EIAB Cc1cc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)ccc1F 5235086 OIBKWBVTAXQLBW-UHFFFAOYSA-N 328.792 4.172 0 40 EIAB CC(C)(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 5901585 UWLVOXMQIUOJOO-UHFFFAOYSA-N 334.419 4.107 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1cc(C2CC2)nn1-c1ccccc1 6609488 YTLGBQCBLSFUIW-UHFFFAOYSA-N 343.430 4.491 0 40 EIAB COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2)cc1 7871777 SUFGLSQDXWCGFT-UHFFFAOYSA-N 349.883 4.240 0 40 EIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)o1 7884988 RAGHYPRXYQSHNX-IBGZPJMESA-N 348.358 4.088 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(F)ccc1Br 8123015 HZJHQEUIFIMCQR-UHFFFAOYSA-N 338.176 4.158 0 40 EIAB COc1cc(Br)c(C(=O)c2ccc(C)cc2)cc1OC 9028595 YDUSKGOFTPEMQH-UHFFFAOYSA-N 335.197 4.006 0 40 EIAB C[C@H](C(=O)Nc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 10140296 YGKGKRFPIQPLON-MRXNPFEDSA-N 347.462 4.375 0 40 EIAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc2ncsc2c1 10277054 CSZRIBIEUHYMNW-UHFFFAOYSA-N 337.448 4.144 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)O)cc1 11689908 JXYPQIVNXMJBLY-UHFFFAOYSA-N 335.359 4.216 0 40 EIAB COc1ccccc1C1(NC(=O)CCc2ccc(C)o2)CCCC1 12155226 OEFADEOGEDJTBL-UHFFFAOYSA-N 327.424 4.115 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12629094 GFRHSCDXFGDIOA-ZPHJMFTNSA-N 335.382 4.079 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C 12861353 MBXYPXVHPIFQLU-HNNXBMFYSA-N 343.448 4.431 0 40 EIAB CN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12980041 UZOGJYOSYAAEQQ-UHFFFAOYSA-N 332.812 4.329 0 40 EIAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCCCCC1 13880348 GYYCAYYIGJTGCA-UHFFFAOYSA-N 339.435 4.047 0 40 EIAB Cc1ccc(CN(Cc2cccc(OC(C)C)c2)C[C@H](C)O)s1 13991963 XZJAAVSBPOXRAN-HNNXBMFYSA-N 333.497 4.227 0 40 EIAB Cc1ccc(C(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1C 16993867 LDPSLXGXLBWEJK-UHFFFAOYSA-N 349.429 4.028 0 40 EIAB CCOC(=O)Cn1nc(-c2ccccc2C)cc1-c1ccccc1C 17070480 XPKBQQGVIWDCRS-UHFFFAOYSA-N 334.419 4.397 0 40 EIAB C[C@@]1(C(=O)NCc2ccc(Cl)cc2Cl)CC1(Cl)Cl 19166972 DXECWIKRMKTKOR-NSHDSACASA-N 327.038 4.194 0 40 EIAB Cc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19900147 JBSYEUABURXKTA-UHFFFAOYSA-N 330.475 4.466 0 40 EIAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)F)cc1 23116960 FQVBWYXJHAODSD-UHFFFAOYSA-N 339.313 4.223 0 40 EIAB CCOC(=O)c1cc2cc(Br)cc(Br)c2o1 27027828 ILHAZUKNVMSAQE-UHFFFAOYSA-N 347.990 4.135 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1)Nc1ccc(F)c(Cl)c1 27917736 FJIGHMMZZLYGCV-UHFFFAOYSA-N 330.750 4.309 0 40 EIAB CC(C)c1nnc2sc(-c3cc(-c4cccc(Cl)c4)[nH]n3)nn12 31809708 WDGVVUPCMPOZAS-UHFFFAOYSA-N 344.831 4.020 0 40 EIAB O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(-c2nnco2)cc1 32760975 SNLYSTMZBYNRKY-SOFGYWHQSA-N 331.784 4.103 0 40 EIAB Cc1ccc(-c2nnc(CCC(=O)N(C)[C@@H](C)c3ccccc3)o2)cc1 32768977 VRCDFNGRJDLKAP-INIZCTEOSA-N 349.434 4.197 0 40 EIAB C[C@H](c1ccccc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804134 QYBZZRGYQAVPPA-GOSISDBHSA-N 348.490 4.045 0 40 EIAB C[C@@H](OCCCNC(=O)c1ccc(F)cc1Cl)c1ccccc1 32907561 FCAMDJUNKVSPJT-CYBMUJFWSA-N 335.806 4.377 0 40 EIAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 32908061 XQJGHAINLQTHQO-UHFFFAOYSA-N 348.761 4.230 0 40 EIAB CC(C)(C)OC(=O)NCCc1ccc(OCc2ccccc2)cc1 35824526 DWZRLMLJTRDOJE-UHFFFAOYSA-N 327.424 4.333 0 40 EIAB Cc1cc(Br)ccc1NC(=O)NCc1sccc1C 43448792 JVCUDSNDWCIYGX-UHFFFAOYSA-N 339.258 4.449 0 40 EIAB Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@H]3c3ccsc3)c2)cs1 46913222 MXAOAXNUISJWHQ-INIZCTEOSA-N 343.477 4.485 0 40 EIAB c1ccc(CN2CCC(NCc3ccccc3N3CCCC3)CC2)cc1 58165463 AIGZPVSOPWVZAN-UHFFFAOYSA-N 349.522 4.041 0 40 EIAB CC(C)c1nc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cs1 58208492 PMEBQESKXFGQDD-ZDUSSCGKSA-N 343.496 4.466 0 40 EIAB CN(CC(F)(F)F)C(=O)c1cnc(-c2ccccc2Cl)s1 64909003 GFKDPBMJPFJVBI-UHFFFAOYSA-N 334.750 4.098 0 40 EIAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CCC1 72215454 XXFRSTNHZYEXGB-INIZCTEOSA-N 331.460 4.190 0 40 EIAB c1coc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 78411694 YCGRETONPXSTAQ-UHFFFAOYSA-N 343.430 4.481 0 40 EIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)C1CCCCC1 79488387 NZKNAJDKEMXTDU-UHFFFAOYSA-N 337.379 4.342 0 40 EIAB Cc1cnc(C(C)(C)NC(=O)c2cc(F)c(F)cc2Cl)s1 79749163 CMPQYLBRVRNMBL-UHFFFAOYSA-N 330.787 4.048 0 40 EIAB CCCOc1cc(C)ccc1NC(=O)c1occc1Br 81033246 IFZIVALYXAIMFK-UHFFFAOYSA-N 338.201 4.392 0 40 EIAB FC(F)(F)c1ccc(-c2noc(-c3cccnc3Cl)n2)cc1 89262767 AKYZWJOARLHIBL-UHFFFAOYSA-N 325.677 4.471 0 40 EIAB CC(C)c1nn(C)c(Cl)c1/C=C1/C(=O)Nc2cc(Cl)ccc21 95350814 MKRZOTQIOZIHOL-YRNVUSSQSA-N 336.222 4.343 0 40 EIAB Cc1cc([C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 95419429 OOGUYISZOWZHQH-UONOGXRCSA-N 326.469 4.357 0 40 EIAB C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 95419570 SONTWINKMISDTL-VLIAUNLRSA-N 335.451 4.309 0 40 EIAB C[C@@H](c1ccccc1F)[S@](=O)Cc1ccc(OC(F)F)cc1 96404387 DPSQQLOCLPCVAT-SAHAZLINSA-N 328.355 4.437 0 40 EIAB Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1Cl 101084758 DDTBWYSVKSKVJI-QAPCUYQASA-N 328.799 4.418 0 40 EIAB Cc1ccc(-n2c(=N)c3oc(-c4ccccc4)nc3n(C)c2=S)cc1 102477150 JKPJESUICFFQIV-UHFFFAOYSA-N 348.431 4.141 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccccc2C)cc1 219952822 BKQKKIBDYLHVRN-UHFFFAOYSA-N 329.465 4.057 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)cc2)S1 222559554 IEPSDEGHUBKREL-LYRGGWFBSA-N 329.856 4.324 0 40 EIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C 222903830 VHZLVBGREMEDQO-CABCVRRESA-N 331.510 4.080 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NCCOc1ccccc1Cl 223411815 RJZCQLWVWBDASL-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB Cc1ccccc1OCCNC(=O)c1ccc(-c2ccccc2)cc1 223445453 NJUKTVSUPFNHDY-UHFFFAOYSA-N 331.415 4.471 0 40 EIAB Cc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1C 225622073 HEMSZEIYPAGNBV-AWEZNQCLSA-N 346.268 4.486 0 40 EIAB CCc1ccc([C@H]2C[C@H](C)CCN2c2nccc(-c3cnccn3)n2)o1 517071643 KMOGGPMBFVKPOC-RDTXWAMCSA-N 349.438 4.067 0 40 EIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(OC)c1 90611 XYPQKLGLKJVONG-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB Cc1cc(C)n(CCOC(=O)c2sc3ccccc3c2Cl)n1 529069 NGFHQZBKPSKFHN-UHFFFAOYSA-N 334.828 4.225 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)C1 1135305 MHXKZCNHVYKVPQ-FXLVCCLPSA-N 331.500 4.199 0 40 EIAB biogenic CCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccccc3nc21 1263528 OQSXUMCKSUCKDZ-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB CC(C)c1nc2oc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2204557 WVGUXWONGKRVEN-UHFFFAOYSA-N 331.803 4.399 0 40 EIAB Cc1nc2ccc(NC(=O)c3cncc(Br)c3)cc2s1 2627711 MALHKRCDHFAKIM-UHFFFAOYSA-N 348.225 4.015 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 3352820 YVNLRMFVYWBKMF-GFCCVEGCSA-N 348.830 4.186 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)c(F)c1 4166964 LVAPAHXFFZSKQF-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 4388490 GYXYSDLSMHXYGV-USTZCAOPSA-N 341.838 4.356 0 40 EIAB NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 4427965 DOVIBCPHDNLZGU-CBHFYSFPSA-N 331.419 4.362 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)cc1 4654039 UVGFPVDJCRFIPE-HDMKZQKVSA-N 347.455 4.172 0 40 EIAB COc1ccccc1-n1cnnc1SCc1c(F)cccc1Cl 4895089 QSPIQFYFMMZMED-UHFFFAOYSA-N 349.818 4.361 0 40 EIAB CN(C)C(=O)[C@@H](SC1=Nc2ccccc2CS1)c1ccccc1 5325800 CHJCGHIKUWJFLB-INIZCTEOSA-N 342.489 4.484 0 40 EIAB CCCOc1ccccc1NC(=O)c1ccccc1Br 5512539 YWXHKSNNHURKQB-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB CCCC(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5545723 QRLDYBYDVXTRNN-UHFFFAOYSA-N 341.842 4.154 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 5574136 WQFWFUSQSOBMSY-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(=O)c2ccccc2o1 6423406 QUPAGMCJGBGYQG-UHFFFAOYSA-N 349.169 4.457 0 40 EIAB CCc1c(C)sc2[nH]c(=S)n(-c3ccc(OC)cc3C)c(=O)c12 6648775 GYGBDBJRXKSCHH-UHFFFAOYSA-N 346.477 4.298 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1nc(Cl)ccc1Cl 6649176 ITTMZVBQSVTXSZ-NSHDSACASA-N 339.247 4.355 0 40 EIAB CCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 6759496 OAVCUITWXTYBBX-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 6844440 KIENFBSNTPSIOZ-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)nc2cc3c(cc2c1C)OCO3 6865373 FYVMKURXLKLBTD-UHFFFAOYSA-N 335.359 4.116 0 40 EIAB CCc1nnc(S/C(=C\c2ccc(Cl)cc2Cl)C(=O)O)o1 7508325 APIXAGIIOMWRIM-YHYXMXQVSA-N 345.207 4.157 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 8558207 IZVKDQSETQZKBE-MSOLQXFVSA-N 325.452 4.208 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)ns2)cc1 8673404 MECRVHGRKOWNHX-CMDGGOBGSA-N 327.434 4.227 0 40 EIAB aggregator CCCCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 9140831 MALWRJWLPWDBFK-UHFFFAOYSA-N 338.782 4.362 0 40 EIAB O=C(c1cccc(F)c1)N(C(=O)N1CCCCC1)c1ccccc1 10254457 WONUZNMRWRNFOT-UHFFFAOYSA-N 326.371 4.078 0 40 EIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1 10740856 BPMHSFIHQPEWNC-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl 11128933 JETPGNTWLFJZQM-QGZVFWFLSA-N 332.806 4.219 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1F 11327577 OIRCCQRRDXXWKM-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB COc1ccc(C(=O)N2CCC(c3ccncc3)CC2)c2ccccc12 12117371 LVAYATNNEDGEOD-UHFFFAOYSA-N 346.430 4.263 0 40 EIAB CCOc1cc(Nc2ccc(NC(=O)C(CC)CC)cc2)nc(C)n1 12225357 MOXNLTIJLZPDCV-UHFFFAOYSA-N 342.443 4.302 0 40 EIAB C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cc2ccccc2o1 12540567 KASBZDMQRYUGCZ-ZDUSSCGKSA-N 333.391 4.119 0 40 EIAB Cc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 12761392 DXAAPWOZEKNUAE-QPGLYAHGSA-N 349.430 4.143 0 40 EIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@@H](c1ccccc1)C1CC1 12920317 ITCSDVODKBYDCW-FZNBYNMYSA-N 343.430 4.153 0 40 EIAB COc1cc(OC)c(C(=O)Oc2cccc(C(C)C)c2)cc1OC 14601489 LJWNKMAYFDQNMS-UHFFFAOYSA-N 330.380 4.055 0 40 EIAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1F 16636698 BOSLPDAJEPLREM-UHFFFAOYSA-N 335.378 4.354 0 40 EIAB O=C(/C=C/c1ccco1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145239 AJKAUAUVRYLNLA-VMPITWQZSA-N 343.766 4.337 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20487954 RMTUZQRXKNDJGU-CVEARBPZSA-N 341.451 4.463 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1Cl 20490738 VGTFBEBXUGEUFA-QGZVFWFLSA-N 331.843 4.431 0 40 EIAB CC(C)c1ccccc1OS(=O)(=O)c1ccc(F)c(Cl)c1 21820988 UKERUAJPTQRXLH-UHFFFAOYSA-N 328.792 4.370 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)SCc2ccccc2)c1 22533054 BOULHVNJHYPILQ-HNNXBMFYSA-N 329.465 4.023 0 40 EIAB Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 26781115 OBRMJGDRGTWSPH-IEBWSBKVSA-N 341.495 4.383 0 40 EIAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(F)cc3F)sc2c1 27975602 IMMCJEQLJQOBEW-SNVBAGLBSA-N 348.374 4.289 0 40 EIAB CCN(Cc1cccc(C)c1)Cn1nc(-c2cccs2)[nH]c1=S 32913324 QCCRBLCHKMPIBR-UHFFFAOYSA-N 344.509 4.457 0 40 EIAB O=C(CCCOc1ccccc1)Nc1ccccc1Br 36022572 WZKCAIGRZMATMG-UHFFFAOYSA-N 334.213 4.247 0 40 EIAB CCCCOc1ccc(CNC(=O)Nc2ccccc2)cc1OC 40095167 JPSQYFCJRUTCRV-UHFFFAOYSA-N 328.412 4.196 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2cccc(F)c2)C1 40267158 ZBTCGUSJPOFGHX-HNNXBMFYSA-N 325.318 4.274 0 40 EIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCCc2c(F)cc(F)cc21 41865838 KHFXHYPRGAGMCX-UHFFFAOYSA-N 343.160 4.260 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 44899793 OSXJXWWXEZGFBS-AWEZNQCLSA-N 341.407 4.003 0 40 EIAB Cc1noc(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1 56379041 NONAZODQBFABBC-UHFFFAOYSA-N 332.831 4.073 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)SCc1ccccc1 57677902 DAVJCYMUUBICMT-DLBZAZTESA-N 327.493 4.446 0 40 EIAB O=C(NCc1cccs1)c1ccc(CN2CCc3ccccc32)cc1 58023218 FEGNDJULIBCJNW-UHFFFAOYSA-N 348.471 4.241 0 40 EIAB Cc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2cccs2)no1 58182150 NVDDWQDDTVWOGY-OAHLLOKOSA-N 345.449 4.286 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(NC2CC2)nc1 60564323 UVRFDOHPNCHUQZ-INIZCTEOSA-N 339.439 4.001 0 40 EIAB O=C(Nc1cccc2c1OCCO2)N1CCC[C@@H]1CC1CCCCC1 61775440 XVKUYZLNDVEGOY-MRXNPFEDSA-N 344.455 4.425 0 40 EIAB Cc1ncc(CN(C)C(=O)c2cc(-c3cccc(Cl)c3)no2)s1 69533922 CVHLLIOZNUUBQC-UHFFFAOYSA-N 347.827 4.032 0 40 EIAB Cn1cc([C@H]2CCCN2Cc2coc(-c3cccc(Cl)c3)n2)cn1 70038631 GADZKTGWTRNRBN-QGZVFWFLSA-N 342.830 4.066 0 40 EIAB CC(C)CSCCC(=O)NCCCSc1ccc(F)cc1 71847875 FIBOHDRWTPIOFH-UHFFFAOYSA-N 329.506 4.203 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1N1CCCCC1 72216099 NNPUJWYPSWALMZ-MRXNPFEDSA-N 331.460 4.144 0 40 EIAB CC(C)(C)c1nccc(NCc2cccnc2OC2CCCC2)n1 72307823 ZUEOOFVJZKALQL-UHFFFAOYSA-N 326.444 4.103 0 40 EIAB Cc1noc(C)c1-c1nc(N2CCCCCC2)ncc1-c1ccncc1 72342863 BCQUQHXIRDXXHZ-UHFFFAOYSA-N 349.438 4.191 0 40 EIAB Brc1cc(CSc2nnc3n2CCCCC3)cs1 84338601 JJKVHAPWLJPOFI-UHFFFAOYSA-N 344.303 4.121 0 40 EIAB OC[C@@H]1CCCCC[C@@H]1Nc1nc(-c2cccnc2)nc2ccccc12 84593300 KUURZSQKMAORKH-WMZOPIPTSA-N 348.450 4.045 0 40 EIAB O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(F)c1F 84839591 FZGWWBWKEPQWHV-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB FC(F)(F)Oc1cccc(NCc2nnc(Cc3ccccc3)o2)c1 86197534 DELKFAKVDKVYKT-UHFFFAOYSA-N 349.312 4.171 0 40 EIAB CC(C)[C@@H](c1cccnc1)N(C)Cc1nc(-c2ccc(F)cc2)no1 89801844 NVAGDOCLZVOJBK-SFHVURJKSA-N 340.402 4.100 0 40 EIAB O=C(CCCc1cc(Cl)sc1Cl)NCCc1cscn1 95410134 NANVTWBCVHDGLR-UHFFFAOYSA-N 349.308 4.193 0 40 EIAB CC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1Cl 95939241 ZWUJKGYJUWULKV-MRXNPFEDSA-N 346.818 4.025 0 40 EIAB Cc1nccn1-c1ccc([C@H](C)NCc2nc3ccccc3o2)cc1 97081920 UKBNGOMVJXDTCU-AWEZNQCLSA-N 332.407 4.173 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCC4)[C@H]3C2=O)c1 100060582 FTDFAQZXFNEJEE-SMOSDQRPSA-N 333.431 4.095 0 40 EIAB CCSc1nc2n(n1)[C@H](c1cccc(C)c1)C1=C(O)CCCC1=N2 102659576 UTQBSTIGRMVZTA-MRXNPFEDSA-N 340.452 4.370 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(OC)cc1 113970216 XSWLFDLJWFKSGA-APWZRJJASA-N 341.451 4.347 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 218983807 HEQRSBXIUZMEQR-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219566831 XFXHMRGXBQLHNT-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1sccc1C 222948617 CKFBTKVNCPWKNV-CABCVRRESA-N 331.510 4.224 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 223434241 FDVIWDMOWJYRMH-UHFFFAOYSA-N 341.885 4.480 0 40 EIAB Cc1ccc(SCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224118496 YLDCGWQVPIHERG-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB O=C(NC1CCCCCCC1)c1snnc1-c1ccc(F)cc1 225781599 IZLPQWXFHLUXJN-UHFFFAOYSA-N 333.432 4.187 0 40 EIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ncccc12 225894478 ZIEJIWFBBNTAEC-IBGZPJMESA-N 330.428 4.023 0 40 EIAB Cc1cccc(CN2CCCC[C@@H]2c2nnc(-c3ccccn3)o2)c1 257254316 KCOCMBHCVZYAOE-GOSISDBHSA-N 334.423 4.167 0 40 EIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccs1 408561980 MIOGCEGJRBBKTF-ZCXUNETKSA-N 328.462 4.348 0 40 EIAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 409204396 GQBJNUYUJRUWIS-VZCXRCSSSA-N 340.423 4.251 0 40 EIAB CCOc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)C3CC3)[nH]c2c1 522941996 ZWBDCVLPLARWGH-IBGZPJMESA-N 348.446 4.318 0 40 EIAB CC(C)c1ncc(-c2nc([C@@H]3CCOc4ccccc43)no2)s1 546401667 OUYVSSISKXIYNN-GFCCVEGCSA-N 327.409 4.231 0 40 EIAB CC(C)c1csc(CNC(=O)Nc2nc(C3CCC3)cs2)n1 574237523 MEKXGKFMELZSLW-UHFFFAOYSA-N 336.486 4.312 0 40 EIAB CC[C@@H]1C[C@@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 585124417 CIKSWPBLUWUOOQ-LSDHHAIUSA-N 328.412 4.184 0 40 EIAB CC(C)c1ccc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cn1 1598254475 ICSVQEXHEBFBAM-UHFFFAOYSA-N 341.842 4.312 0 40 EIAB COc1ccc(OCCCC(=O)Nc2ccc(OC(C)C)cc2)cc1 1778203 WOSRXXJDZYVVMV-UHFFFAOYSA-N 343.423 4.280 0 40 EIAB Cc1ccc2nc(-c3nnc(-c4noc5c4C[C@@H](C)CC5)o3)ccc2c1 2803368 AUIGDYHKVWDSDM-LBPRGKRZSA-N 346.390 4.373 0 40 EIAB CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 3445140 IJYPQHKGLCYKGZ-UHFFFAOYSA-N 336.338 4.126 0 40 EIAB O=c1oc(-c2ccccc2)nc2c1oc1ccc(Br)cc12 3646833 DGZRFIKZLWVRSO-UHFFFAOYSA-N 342.148 4.364 0 40 EIAB biogenic CCc1ccc(N[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 3647948 RRJROCXPCPUFOE-MRXNPFEDSA-N 326.421 4.195 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 4037836 UMMPANZLVAPUTR-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CCCCCCC1=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)C1 4616658 ZHXKMYXZNYITID-CQSZACIVSA-N 338.370 4.205 0 40 EIAB O=C(Nc1ccccc1Br)c1ccc2ccccc2n1 5938284 SEJTZKJXOQRPKR-UHFFFAOYSA-N 327.181 4.250 0 40 EIAB COc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6378206 GCQQQVLMZLMXOA-UHFFFAOYSA-N 331.415 4.221 0 40 EIAB Cc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 7390875 QUUWUGPDGNNEEQ-UHFFFAOYSA-N 326.399 4.420 0 40 EIAB CC(C)(C)C(=O)CSc1nnc(Nc2cccc(F)c2)s1 7576925 ZYUKNEPKPXSVDF-UHFFFAOYSA-N 325.434 4.128 0 40 EIAB CCOc1ccc(NC(=O)CCCOc2ccccc2)cc1OCC 7814250 QDQBWXLSDROCCN-UHFFFAOYSA-N 343.423 4.282 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 8041518 HBFWEFLFLRTYLM-LBPRGKRZSA-N 338.234 4.386 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 8782328 RJCFJYOCJCCNOV-QGZVFWFLSA-N 342.483 4.149 0 40 EIAB CCOCCCNc1ncc(-c2ccncc2)c(-c2cccs2)n1 12222174 QBLIGKJHLBZCFX-UHFFFAOYSA-N 340.452 4.106 0 40 EIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3cccs3)nn12 12321979 ZBPBHGKKDJNTDP-UHFFFAOYSA-N 348.840 4.243 0 40 EIAB CCOc1ccc(CCNc2nc(C)c(C(C)=O)s2)cc1OCC 12394858 GNDWLACLBXYGIM-UHFFFAOYSA-N 348.468 4.106 0 40 EIAB Cc1c(C)n(C[C@@H](O)CN2CCC(C)CC2)c2c(Cl)cccc12 12421933 LMNWQRSULUAYSC-INIZCTEOSA-N 334.891 4.004 0 40 EIAB O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1C1CC1 12609032 YUHQMUVTNXFAIG-INIZCTEOSA-N 343.224 4.178 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl 12765403 JDBKYGMUPQZTRF-MRXNPFEDSA-N 337.250 4.026 0 40 EIAB c1cncc(CNc2ncc(-c3cccs3)c(-c3cccnc3)n2)c1 13266213 KAJLZHWBAYTXBB-UHFFFAOYSA-N 345.431 4.274 0 40 EIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc2ccccc2o1 13305630 NTQOHBOQTGDRHH-PKOBYXMFSA-N 346.430 4.189 0 40 EIAB CCOc1ccc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1OCC 15010486 IVJMYIBZQAZFPZ-YBEGLDIGSA-N 349.452 4.176 0 40 EIAB O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc(-c2ccc(O)cc2)cc1 15354750 SBXBSGYFNHQABJ-AWEZNQCLSA-N 337.202 4.410 0 40 EIAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)c2ccccc12 16768208 GNBLWSUDNQWXQQ-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1C 17072228 WXQJTJQGEDEYBD-UHFFFAOYSA-N 347.333 4.262 0 40 EIAB C[C@H]1c2ccsc2CCN1Cc1cccc(Oc2ncccn2)c1 19498369 GHABZVRLKUVNQR-AWEZNQCLSA-N 337.448 4.450 0 40 EIAB Cc1nc2nc(NC(=O)c3ccc(F)cc3)ccc2c(C)c1Cl 19565774 HKKGGNXCXGBSSK-UHFFFAOYSA-N 329.762 4.291 0 40 EIAB O=C(c1cccc2cn[nH]c12)N(Cc1ccco1)Cc1cccs1 24462471 LANAHQUQGCTAFW-UHFFFAOYSA-N 337.404 4.060 0 40 EIAB CCCNC(=O)[C@H]1CCCN1Cc1sc2ccccc2c1Cl 27112254 RVPUOFAINKVUCZ-CYBMUJFWSA-N 336.888 4.045 0 40 EIAB CCOCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1 27373720 ANBVSWNXHOSQMU-AWEZNQCLSA-N 346.858 4.437 0 40 EIAB COCc1c(C(=O)Nc2ncccc2C)sc2cccc(F)c12 27651456 GJZAOOULBTXOGN-UHFFFAOYSA-N 330.384 4.143 0 40 EIAB CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(-c2ccccc2)no1 27677062 FSRHSGLRLFSDPH-UHFFFAOYSA-N 344.418 4.159 0 40 EIAB CCn1cc(-c2nnc(SCc3cccc(Cl)c3)n2CC)cn1 32604314 VUWXLBZVOMGZIN-UHFFFAOYSA-N 347.875 4.127 0 40 EIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(F)cc(F)c1 32930563 ZQOOKSLSGRTYIV-UHFFFAOYSA-N 340.329 4.082 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 39767587 SHDGKGKPUQLYNL-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccccc1F 40116470 KDGNCPUWVOYGDT-LLVKDONJSA-N 341.304 4.101 0 40 EIAB O=C(CCCCc1ccc(Br)cc1)Nc1nccs1 40128184 BYCSBEQYDHSVOT-UHFFFAOYSA-N 339.258 4.257 0 40 EIAB COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 49929293 GYPDFSIWTGCYKQ-OAHLLOKOSA-N 338.432 4.282 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3F)n[nH]2)cc1 51315523 BAJOPIQCOLQCIX-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB FC(F)Oc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 55028094 ZSYHUMPZUKLEDK-GOSISDBHSA-N 326.346 4.271 0 40 EIAB CCCNC(=O)c1ccc(NC(=O)c2c(C)oc(C)c2C)cc1Cl 56151783 RTBDIBXZEVJAAA-UHFFFAOYSA-N 348.830 4.250 0 40 EIAB Cc1cc2nc(-c3cc(N)c(C)c(N)c3)oc2c(Br)c1C 57351259 PWSHJYSZLPHMKK-UHFFFAOYSA-N 346.228 4.347 0 40 EIAB CCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2ccccc21 64963672 DSWRJVYIRWVLAA-UHFFFAOYSA-N 345.402 4.437 0 40 EIAB CCc1nc2cc(NC(=O)c3cc4ccc(OC)cc4[nH]3)ccc2o1 65521558 WEFJLUZYXDSTCZ-UHFFFAOYSA-N 335.363 4.132 0 40 EIAB COc1ncccc1-c1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 69418095 JKZTZANYCVBYRA-UHFFFAOYSA-N 327.409 4.028 0 40 EIAB CC(C)CCc1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 70008290 UNKWWWBHCQQRDB-UHFFFAOYSA-N 334.847 4.408 0 40 EIAB O=C(Cc1cc(-c2ccccc2)on1)N(Cc1ccsc1)C1CC1 71911660 JTOYXIQSJIFOOA-UHFFFAOYSA-N 338.432 4.137 0 40 EIAB CC(C)Sc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72217465 NWJAMUPFQRMYPK-UHFFFAOYSA-N 338.473 4.070 0 40 EIAB CC[C@@H](C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1)c1ccccc1 72232246 IYASMZHQYJQLQN-IAGOWNOFSA-N 341.455 4.093 0 40 EIAB Cc1cc(-c2cnc(NCc3cccs3)nc2C(C)(C)C)on1 72341136 AUDPHVNQMRNCIZ-UHFFFAOYSA-N 328.441 4.411 0 40 EIAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2Cc2ccccc2)n1 72376752 IHRLAUPZUQJSGR-FQEVSTJZSA-N 344.462 4.453 0 40 EIAB CC(=O)N(C)c1ccc(NCc2cccc(-c3cccnc3)c2)cc1 95427550 IYCCAJFRLMAQKO-UHFFFAOYSA-N 331.419 4.343 0 40 EIAB c1coc(CNc2nnc(S[C@H]3CCc4ccccc4C3)s2)c1 95941656 UTLDGLJYCFOFPO-HNNXBMFYSA-N 343.477 4.393 0 40 EIAB C[C@@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1 95965442 DEMLCVMGBJMTSE-CQSZACIVSA-N 327.403 4.046 0 40 EIAB CC(C)n1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccn23)n1 96154708 NXVIBNHOLSDYQY-UHFFFAOYSA-N 336.439 4.056 0 40 EIAB Cc1nc(S[C@H](C)C(=O)N(C)C)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104119538 ZUNIJTNKJZNGAJ-QEOTZNIISA-N 349.544 4.066 0 40 EIAB CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccccc1 113933015 NJTIJIFLENNBAP-GOSISDBHSA-N 329.465 4.196 0 40 EIAB CNc1ccc(Oc2ccnc(-c3nc(C(F)(F)F)c[nH]3)c2)cc1 149609747 IKTPVZILORHAPC-UHFFFAOYSA-N 334.301 4.325 0 40 EIAB COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 152090133 HAQMBNVRCXNUCK-INIZCTEOSA-N 326.396 4.119 0 40 EIAB COCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 206896533 NFCCDCQECBOEET-UHFFFAOYSA-N 342.395 4.201 0 40 EIAB CCOc1ccc(C(=O)NCc2ccccc2OCC)cc1Cl 223333497 JKNWKBRHBXQELX-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB C[C@H](CCc1ccccc1)OC(=O)c1snnc1-c1cccs1 223845845 PRSHAQCZFXFHQR-GFCCVEGCSA-N 344.461 4.445 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(F)cc1 223976839 UXCYDXCYHKFWTP-QGZVFWFLSA-N 327.399 4.095 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1 224290037 FPLXRUUMQUCYBH-LBPRGKRZSA-N 338.234 4.120 0 40 EIAB COc1ccc2c(c1)[C@H](NC(=O)c1cc(C)ccc1C)CC(C)(C)O2 224394493 KLCMAKDFWFUWMP-GOSISDBHSA-N 339.435 4.344 0 40 EIAB Cc1cc(C)cc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)c1 225065807 SJBYILIRTBUPRS-MRXNPFEDSA-N 349.224 4.141 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225120192 YBOJPAHXKLCLPX-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c(C)n1 225571163 GYOFCGFJSLJKIM-UHFFFAOYSA-N 344.365 4.083 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 225639360 DWWRUIRGUQGCOI-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB CCOc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1Cl 225733572 FITSPUICOPRFPP-UHFFFAOYSA-N 331.843 4.410 0 40 EIAB Cc1n[nH]cc1C1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 585081475 VFJUUZTVRIVUMP-UHFFFAOYSA-N 337.423 4.483 0 40 EIAB O=C(/C=C/c1ccsc1)NC[C@@H](c1ccco1)c1cccs1 585146668 AXEPGUCQJZRMDF-GJBLVYBDSA-N 329.446 4.364 0 40 EIAB CC(C)c1cc(C(=O)N(CC(F)(F)F)C(C)C)nn1C(C)(C)C 614666626 BHEKNGOZSVHGTR-UHFFFAOYSA-N 333.398 4.174 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 44520 FGCPODKOHFCFQE-GFCCVEGCSA-N 329.469 4.338 0 40 EIAB COc1ccc(-c2nnc(SC(C)C)n2-c2ccccc2)cc1 411370 UNXLCTAUZVWLHO-UHFFFAOYSA-N 325.437 4.443 0 40 EIAB CCN(CC)CCC[C@H](C)NCc1ccnc2cc(Cl)ccc12 1640914 VGZGEWKXGPHIMF-HNNXBMFYSA-N 333.907 4.488 0 40 EIAB CCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 1927068 YLLRREWEXMEGFB-UHFFFAOYSA-N 341.842 4.420 0 40 EIAB c1ccc(CCNc2nc(-c3ccncc3)nc3ccccc23)cc1 2237557 WPXDLZLLGWQSIK-UHFFFAOYSA-N 326.403 4.346 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 2622596 HQIMHIHJWLFOMP-LLVKDONJSA-N 344.461 4.424 0 40 EIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1F 2638659 QZKVVYHKKXUASC-UHFFFAOYSA-N 332.722 4.173 0 40 EIAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1Cl 4682358 DQEUDLQCQLAINE-UHFFFAOYSA-N 348.855 4.174 0 40 EIAB COC(=O)[C@]1(C)CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 5377290 JONHTESXUZSHQF-FQEVSTJZSA-N 347.455 4.043 0 40 EIAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccc3F)no2)c1 5575701 LSBSVNCVEPXLMF-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB c1ccc(-c2cc(N3CCCC3)nc3cc4c(cc23)OCCO4)cc1 6508524 LJTQLBOHIJVQIK-UHFFFAOYSA-N 332.403 4.273 0 40 EIAB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)cc1 6638152 PIOKSMZTDAAQGT-UHFFFAOYSA-N 333.435 4.240 0 40 EIAB COc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=NCCCC1 7276439 CECHFTSOQMNABX-UHFFFAOYSA-N 340.398 4.106 0 40 EIAB COC[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 7349493 BLYXTSSTHCGOAG-ZDUSSCGKSA-N 349.883 4.397 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1 7468451 ULEXICBSWZIDPZ-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1 7597381 PDVCIDCXPSBUJJ-CQSZACIVSA-N 330.387 4.401 0 40 EIAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 7995679 RSKJIBBYSLKFLD-UHFFFAOYSA-N 336.416 4.194 0 40 EIAB CSc1ccccc1NC(=O)CN1CCC[C@H]1c1cccs1 8320553 PXUYXISESHQLFV-AWEZNQCLSA-N 332.494 4.246 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8325404 FYDOVUCJTOMYTC-UHFFFAOYSA-N 345.402 4.323 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCC1CCCCC1 8388198 CRXMVXWEQLOHII-UHFFFAOYSA-N 339.483 4.466 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 8499335 HXJHJOYHMJYAFZ-KRWDZBQOSA-N 349.883 4.406 0 40 EIAB CN(Cc1nc(O)c2c(-c3ccco3)csc2n1)C1CCCCC1 9494574 DVLIYZSMEWFRDP-UHFFFAOYSA-N 343.452 4.421 0 40 EIAB O=C(NCCc1ccccc1)NC(c1ccccc1)c1ccccc1 9961931 NQPOMBUXHJTURJ-UHFFFAOYSA-N 330.431 4.318 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cl)cc2F)c2cnn(C(C)C)c2n1 10958267 FQGLFQHIMFBCAJ-UHFFFAOYSA-N 346.793 4.365 0 40 EIAB Cc1sc(-c2ccc(F)cc2)nc1C(=O)Oc1cccc(N)c1 11867534 MZLAESQOJVHANY-UHFFFAOYSA-N 328.368 4.059 0 40 EIAB Cc1ccc(COc2ccc(/C=C/C(=O)O)cc2Br)cc1 11958663 PMTSIATZCIJGHZ-VQHVLOKHSA-N 347.208 4.434 0 40 EIAB Cc1ccc(-c2cc(COC(=O)COc3ccccc3C)no2)cc1 12236671 QMIOWKHMJRSGKV-UHFFFAOYSA-N 337.375 4.081 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N(C)C)nc3)ccc2c1 12893354 UOLFWMPMMUQHCY-CQSZACIVSA-N 349.434 4.052 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3)o2)cs1 12897765 XTICSNPAYACWNL-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB O=c1nc(SCc2ccccc2F)c2c(n1C1CCCC1)CCC2 15840369 GSTFRPOFIPIBBA-UHFFFAOYSA-N 344.455 4.279 0 40 EIAB CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1 15860734 ARPGSWAARADVQH-CQSZACIVSA-N 344.842 4.000 0 40 EIAB O=C(Nc1nccs1)c1cc(-c2cccnc2)nc2ccccc12 16641248 NJZFOKGHWPAPDT-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB COc1cc(-c2nc3cnccn3c2Nc2ccc(C)cc2)ccc1O 18222019 WJSRHXKYJZWAKH-UHFFFAOYSA-N 346.390 4.163 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1noc2c1C[C@H](C)CC2 20352538 WAMUQRLBJXOCAL-SECBINFHSA-N 349.228 4.123 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCC1=CCCCC1 21002997 NFPWJFUKNBDQDQ-UHFFFAOYSA-N 341.430 4.249 0 40 EIAB CCOc1ccccc1/C=C/C(=O)N(C)[C@@H](C)c1ccccc1OC 25108745 JYHRHPPBXCQOEZ-IYOXOMEYSA-N 339.435 4.327 0 40 EIAB c1ccc([C@H](NCc2ccc(-n3ccnc3)cc2)c2ccccn2)cc1 25363906 GLRVLETWZHHSGS-QFIPXVFZSA-N 340.430 4.147 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN[C@H](C)c1ccccc1 28297102 SILYRVYUBDNFOK-XLIONFOSSA-N 336.479 4.278 0 40 EIAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccccc1F 32609612 GNIVGBAHBYUPBH-UHFFFAOYSA-N 345.377 4.476 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccc(F)cc2)[nH]n1 32826737 VCOKZLDNDSEAOV-UHFFFAOYSA-N 338.367 4.078 0 40 EIAB CCc1ccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)cc1 32850934 RMWUNMGUTLTNIC-UHFFFAOYSA-N 340.496 4.085 0 40 EIAB CCc1nc(OCC(=O)Nc2c(C)cccc2CC)c2ccccc2n1 33141689 VJPRKYRZYZWQRI-UHFFFAOYSA-N 349.434 4.081 0 40 EIAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)Nc1ccccc1 40074768 UNZOXNUBPLEYIY-SDNWHVSQSA-N 330.387 4.313 0 40 EIAB C[C@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1ccncc1 40130203 HJAWOWNASCGDTN-JKSUJKDBSA-N 347.418 4.108 0 40 EIAB C[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1ccncc1 40130205 HJAWOWNASCGDTN-HZPDHXFCSA-N 347.418 4.108 0 40 EIAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCc2ccccc21 45679957 RQAROPBHBJPITN-QFIPXVFZSA-N 348.490 4.432 0 40 EIAB CC[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(O)cc2)CC1 57981344 QVWVQCYNLGCBRY-LJQANCHMSA-N 330.859 4.319 0 40 EIAB CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnco2)c1 60973248 SHRAZZVTFAYZCR-HNNXBMFYSA-N 328.416 4.169 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccc(Br)cc1)CC(O)=N2 61717648 OVLRFYSYVNCECS-VIFPVBQESA-N 338.230 4.071 0 40 EIAB Cc1nc(CNC2(c3ccc(Br)cc3)CCC2)oc1C 69565936 BHPSRKCNDKMLMM-UHFFFAOYSA-N 335.245 4.223 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2ccc3oc(C)nc3c2)ccc1C 72282534 GISGXUCTJHDRGS-UHFFFAOYSA-N 338.367 4.047 0 40 EIAB COc1ccc(CCC(=O)N2CCC(c3ccsc3)CC2)cc1 75157127 KFZCCSPCTXEXBT-UHFFFAOYSA-N 329.465 4.096 0 40 EIAB Cc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)c(C)c1 85651259 FLABIXCZCKLAMH-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB Clc1cccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)c1 89643669 WHATYWGBSNSUHF-LLVKDONJSA-N 333.800 4.365 0 40 EIAB Cc1csc(N(C)C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 89705665 NBTXZUDPOAEMSV-UHFFFAOYSA-N 325.437 4.088 0 40 EIAB Cc1nccn1-c1ccc([C@@H](C)NCc2ccn(C3CCCC3)n2)cc1 90547185 KZIWOMTWDCZWHD-MRXNPFEDSA-N 349.482 4.343 0 40 EIAB C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 95419568 SONTWINKMISDTL-JLTOFOAXSA-N 335.451 4.309 0 40 EIAB O=C1C[C@@H](CN[C@@H]2CCSc3ccc(F)cc32)c2ccccc2N1 95423598 QATPZMCCAIZREM-BLLLJJGKSA-N 342.439 4.078 0 40 EIAB Cc1ccc2ncc(CN[C@@H]3CCCOc4cc(Cl)ccc43)n2c1 95989230 DHMUFGJUTCXJKS-QGZVFWFLSA-N 341.842 4.300 0 40 EIAB c1ccc(CO[C@@H]2COC3(CCN(Cc4cccs4)CC3)C2)cc1 96047845 ANXCOKLRNVCGLH-SFHVURJKSA-N 343.492 4.088 0 40 EIAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccccc1Cl 96287841 NTXHRJAYPLDINI-ARFHVFGLSA-N 339.822 4.413 0 40 EIAB CC(C)(C)CN(C(=O)c1ncoc1-c1ccco1)c1cccnc1 96425220 CJEWGNYAINZVKM-UHFFFAOYSA-N 325.368 4.023 0 40 EIAB O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 101137295 GYXYSDLSMHXYGV-XMTFNYHQSA-N 341.838 4.356 0 40 EIAB C[C@H]1CCN(C)c2ccccc2N1C(=O)c1coc(-c2ccccc2)n1 173256099 RFKHZDIUHJQSQH-HNNXBMFYSA-N 347.418 4.217 0 40 EIAB Cc1noc(-c2sccc2NC(=O)CCSc2ccccc2)n1 207959764 RNAIUQODKMIYLP-UHFFFAOYSA-N 345.449 4.227 0 40 EIAB COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 222947239 XGBJSHFMZSRZHI-NSHDSACASA-N 346.224 4.049 0 40 EIAB S=C(NCc1cccc(CN2CCCCC2)c1)Nc1ccccc1 224644204 GUYDPYVCIKIQMN-UHFFFAOYSA-N 339.508 4.159 0 40 EIAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCC3)o2)cc1 224911740 GKYUSHXPHVPGEC-UHFFFAOYSA-N 348.402 4.253 0 40 EIAB COc1ccc(CNC(=O)CCc2cccc3ccccc23)cc1OC 224940066 RTIWRLHHTSRNSN-UHFFFAOYSA-N 349.430 4.106 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225365091 NAFXFOSUYYNIPU-UHFFFAOYSA-N 343.810 4.452 0 40 EIAB O=C(Cn1ccc2ccccc21)NCc1cncc(-c2cccs2)c1 225665807 ZXNLCXJZLKRXLY-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB O=C(NC[C@H](O)c1csc2ccccc12)c1ccccc1Cl 225691976 CYDCWHUWPXVVPH-HNNXBMFYSA-N 331.824 4.018 0 40 EIAB O=C(O)c1ccc(Cc2ccccc2)n1Cc1ccc(Cl)cc1 226028078 PRHZOCMUEQYEHS-UHFFFAOYSA-N 325.795 4.479 0 40 EIAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)[C@@H]1[C@H]2CCCC[C@H]21 247516966 WAAMYFYUQIQYCQ-YDZRNGNQSA-N 340.854 4.377 0 40 EIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@H]1CCc2ccccc2O1 390831701 UGMSRCBQEDNFAW-SJLPKXTDSA-N 347.524 4.293 0 40 EIAB O=C(O)[C@H]1CN[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 408979529 RIVJCCRNXUMKCC-OLZOCXBDSA-N 344.219 4.042 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NCCSC1CCCCC1 409026413 OJAMNQYITNQVTG-HNNXBMFYSA-N 337.554 4.490 0 40 EIAB CCOc1ccc(-n2c(C)nnc2SCCc2ccccc2)cc1 409105175 HBJQDAFMAPXWQZ-UHFFFAOYSA-N 339.464 4.309 0 40 EIAB C[C@@H]1C[C@H](N2CCCC2)CN1c1nc(-c2ccc(F)cc2)cs1 557737220 QMLQDWXMOAKBMF-CJNGLKHVSA-N 331.460 4.012 0 40 EIAB Cc1ccc(C)c(C(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)c1 575614961 ANEILAVLWPWVIN-QGZVFWFLSA-N 333.435 4.049 0 40 EIAB CCN1CCCCCCN[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643574415 WCPVNHBJIRKDAM-QUCCMNQESA-N 344.499 4.002 0 40 EIAB CO[C@H](COc1ccc(Cl)cc1-c1nc(C)no1)C1CCCC1 664010527 NNNNQECKXSMWJN-MRXNPFEDSA-N 336.819 4.282 0 40 EIAB Cc1c(CN2CCC[C@H](c3nccs3)C2)[nH]c2ccc(F)cc12 2037846467 ZXVKNYKNPVELFS-ZDUSSCGKSA-N 329.444 4.452 0 40 EIAB COc1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 32432 OPOFGSVKVBXFMJ-INIZCTEOSA-N 342.445 4.084 0 40 EIAB CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 221655 YNYDGQUJYDCHFY-UHFFFAOYSA-N 346.427 4.084 0 40 EIAB O=C(Cc1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 298335 GKFRAEUTHMMLDC-UHFFFAOYSA-N 330.383 4.322 0 40 EIAB CC(C)CCNC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 299659 MEOSVLKLPXFROB-UHFFFAOYSA-N 330.516 4.184 0 40 EIAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 347091 GBAVRVDXVNXASU-UHFFFAOYSA-N 337.375 4.301 0 40 EIAB biogenic CCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccccc1C 1458574 IICXVZQRQTXVII-ACCUITESSA-N 325.408 4.079 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1c(F)cccc1Cl 3571309 VBBJDQUFHRVTAT-UHFFFAOYSA-N 331.730 4.000 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C1 4081339 OQHMNEGOKQMOFM-YQUGOWONSA-N 332.484 4.242 0 40 EIAB biogenic CC(C)(C)C(=O)N(Cc1ccccn1)c1nc2ccccc2s1 4304758 UMKTTZCCSYMSGT-UHFFFAOYSA-N 325.437 4.271 0 40 EIAB CCc1ccc(N(C(=O)Nc2ccc(OC)cc2)C2=NCCC2)cc1 4570561 OETWGJIOHDYMFR-UHFFFAOYSA-N 337.423 4.488 0 40 EIAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(F)c1 4679282 PDXSKICTYXLTHH-UHFFFAOYSA-N 343.377 4.087 0 40 EIAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccccc1F 5256016 OCGJBUPPEGMHMK-KRWDZBQOSA-N 341.411 4.326 0 40 EIAB CC(=O)c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 6597227 RTGVEOCXHWTDDJ-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB CN(Cc1ccc(Cl)nc1)C(=S)Nc1cccc(Cl)c1 6625428 ZYFVGPGHPGHGRP-UHFFFAOYSA-N 326.252 4.217 0 40 EIAB COCc1c(C(=O)Nc2ccc(OC)cc2)sc2cccc(F)c12 6789024 QIIFTMDHIRPBKA-UHFFFAOYSA-N 345.395 4.448 0 40 EIAB CCCc1nnc(S/C(=C\c2cccc3ccccc23)C(=O)O)[nH]1 7342259 CBTORVWJNJJHPK-PTNGSMBKSA-N 339.420 4.128 0 40 EIAB Cc1cc(CN[C@@H](C)c2ccncc2)c(C)n1-c1ccnn1C(C)C 7985280 DXTGKGHPWAFTDC-INIZCTEOSA-N 337.471 4.117 0 40 EIAB Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl 8309972 NFJILLSAWTUMQJ-LLVKDONJSA-N 340.851 4.308 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 9107138 SRMBOKANRUFHGB-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB O=C(CCSc1ccccc1)NCCSCc1ccccc1F 10280370 MFCXSVTZSZLPKD-UHFFFAOYSA-N 349.496 4.358 0 40 EIAB CCOc1ccc2nc(NC(=O)Cc3cc(C)ccc3C)sc2c1 10700027 CLCPMIBIOHPIJH-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(OC)ccc1OC 11637256 SMUIPSLUAMBEAV-GOSISDBHSA-N 343.423 4.117 0 40 EIAB Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@@H](C2CCCCC2)C1 12290716 GQTCHMQOIJRJQX-QGZVFWFLSA-N 339.439 4.087 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1Cl 12623838 LELKKSLXEWNKPD-UHFFFAOYSA-N 331.696 4.428 0 40 EIAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(SC)cc1 12824334 XXWRYQXGNWMPDV-UHFFFAOYSA-N 343.448 4.327 0 40 EIAB O=C(NCCCOCC1CC1)c1ccc(Oc2ccccc2)cc1 12932915 HOXDBYYUYHZLJG-UHFFFAOYSA-N 325.408 4.025 0 40 EIAB COc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 12987727 ZIRSUTIOTPFSKD-UHFFFAOYSA-N 346.386 4.347 0 40 EIAB CCCc1c(C)n(CCc2ccccc2)c2nc3ccccc3n2c1=O 14165391 RNYARKJKVAASBF-UHFFFAOYSA-N 345.446 4.153 0 40 EIAB CN(Cc1ccccc1)Cn1[nH]c(/C=C/c2ccccc2)nc1=S 14187514 RJIMRMYEHIOXPT-OUKQBFOZSA-N 336.464 4.201 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 14573633 BPELSKRDRCKGBT-SOGBHIHOSA-N 339.435 4.211 0 40 EIAB O=C(Oc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccoc1 16260694 BTMGDSRCOSZBMJ-UHFFFAOYSA-N 341.750 4.405 0 40 EIAB CC(C)Oc1ccc(C(=O)NCCSCc2ccccc2F)cc1 18160605 BUCYEXGVWSKAOK-UHFFFAOYSA-N 347.455 4.276 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F 19736647 OXOPDRBQDMJXSD-GFCCVEGCSA-N 330.403 4.111 0 40 EIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(C(C)C)cc1)CC(O)=N2 20738555 ZUWPTEVJQYSTPA-INIZCTEOSA-N 347.422 4.218 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(OC)cc1 22519525 IPUUXRJQYWPESK-GOSISDBHSA-N 347.842 4.165 0 40 EIAB CC/C=C/C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1 26273372 KDFBGBVQSUDAJV-WEVVVXLNSA-N 344.436 4.146 0 40 EIAB Oc1ccccc1-c1nc2ncccn2c1Nc1cccc(Cl)c1 35616233 GOFPPOSRDVFLEY-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB CC(C)CN1C(=O)S/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 36636227 FCXQNUCBOJFLSS-GHXNOFRVSA-N 344.358 4.310 0 40 EIAB CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832339 JRANSPULKLYABR-CYBMUJFWSA-N 343.298 4.120 0 40 EIAB O=C(NCc1ccccc1Cl)Nc1cccc(OC(F)F)c1 47908557 JBALDEMCIUZHCD-UHFFFAOYSA-N 326.730 4.263 0 40 EIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-c2cnco2)cc1 54149407 ZMBLJYNZOCCOQA-UHFFFAOYSA-N 336.376 4.046 0 40 EIAB CCN(CC)c1ccc(CNC(=O)c2cc3ccccc3s2)cn1 57517054 AZWLDSBNASCGSH-UHFFFAOYSA-N 339.464 4.073 0 40 EIAB CC1(C)CC(N(Cc2ccccc2)Cc2ccncc2)CC(C)(C)N1 57810630 KDQXDOMFLVGBGA-UHFFFAOYSA-N 337.511 4.393 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)C)cc1 59351912 OJPSVEIEFGGSCL-HNNXBMFYSA-N 327.424 4.075 0 40 EIAB O=C([C@H](NCc1cc2ccccc2o1)c1ccccc1)N1CCCCC1 71818569 WCNOQJZUBCXPOE-OAQYLSRUSA-N 348.446 4.276 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)N2CCc3ccccc3C2)o1 72265329 OUSIYZUVOQTRQP-UHFFFAOYSA-N 349.386 4.279 0 40 EIAB OC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](C(F)(F)F)SC1 79488251 ZQQLHYPQXQVCID-LLVKDONJSA-N 349.378 4.422 0 40 EIAB CC(C)n1nccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 84633016 WGWRCVSYZNZMPH-UHFFFAOYSA-N 347.484 4.313 0 40 EIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1cc(Cl)ccc1Br 95096010 IOPFJYLAUPGQMV-OIBJUYFYSA-N 345.542 4.121 0 40 EIAB C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 95431340 GZPZLIGQTUSICN-CVEARBPZSA-N 340.423 4.104 0 40 EIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nccs1 95477827 QXINDOWFIQIQPP-AWEZNQCLSA-N 345.855 4.411 0 40 EIAB Cc1ccc([C@H](C)N(C)Cc2noc(Cc3ccccc3C)n2)cc1 95964356 IDZWBMQISVAVNR-KRWDZBQOSA-N 335.451 4.470 0 40 EIAB CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccc(C)s1 96104774 CLYQFQAGBDSTKZ-AYAUWGRQSA-N 347.505 4.296 0 40 EIAB C[C@@H](NCc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297097 PWYLGVHIGCRYQH-GFCCVEGCSA-N 340.354 4.030 0 40 EIAB biogenic,in-vitro CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(F)c1 96454963 BTRWPTKCUCVTCO-MRXNPFEDSA-N 346.406 4.095 0 40 EIAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCc3nccn3C2)cc1 97165028 WPIZLYMCXKAJDI-MRXNPFEDSA-N 347.418 4.185 0 40 EIAB COc1ccccc1-n1nc(C)c(Cc2ccc(Cl)cc2)c1O 101265204 FETJITQFCSWHAM-UHFFFAOYSA-N 328.799 4.139 0 40 EIAB O=C(CCN1CC[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F 104069581 FLQPSPMYLGCBHM-KGLIPLIRSA-N 325.374 4.400 0 40 EIAB O=C(Cc1ccccc1OC(F)F)Nc1ccccc1C(F)(F)F 118187565 JLSDKXBKJPSVHX-UHFFFAOYSA-N 345.267 4.488 0 40 EIAB Cc1cc(N(C)C)cc(C)c1NCc1nccn1Cc1ccccc1 152356509 YZNBOCPQKCJTDY-UHFFFAOYSA-N 334.467 4.226 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 219951999 AZLJMORXUQPPBT-UHFFFAOYSA-N 349.883 4.402 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc2c(c1)CCCC2 222955320 IFMBWCASNUTABL-CQSZACIVSA-N 343.854 4.475 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3ccc(C)cc3C)c(C)n2)cc1 223139664 PXMNFOZPEBBDKK-UHFFFAOYSA-N 347.418 4.330 0 40 EIAB O=C(NCCCN1CCc2ccccc21)C1(c2ccccc2)CCCC1 223757884 BQTWWFLVCHLLSY-UHFFFAOYSA-N 348.490 4.067 0 40 EIAB COc1cccc(NC(=O)NCCOc2ccccc2C(C)C)c1 223838566 XZORNNSADYURJQ-UHFFFAOYSA-N 328.412 4.019 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccc(C)cc1 225034850 KMJPCFWOECAXNJ-UHFFFAOYSA-N 349.883 4.320 0 40 EIAB COc1ccc(NC(=S)NCc2ccc(C)cc2)c2cccnc12 225312104 HMPQQRJXCOUCIX-UHFFFAOYSA-N 337.448 4.038 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1C 225634938 GTJZHTGEMRMNEI-KRWDZBQOSA-N 337.463 4.380 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N 226268021 OVXQDCPPFQDODA-UHFFFAOYSA-N 341.455 4.155 0 40 EIAB Nc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(Cl)c1 226304326 GXXWROKLWYYJCG-UHFFFAOYSA-N 338.794 4.385 0 40 EIAB c1ccc(OCc2cscn2)c(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 253369799 IGWZEKRACFEXMG-BMGDILEWSA-N 342.464 4.092 0 40 EIAB O=C(NCCCSc1ccccc1)c1ccncc1C(F)(F)F 330031594 AQRNLXPGTBOQMG-UHFFFAOYSA-N 340.370 4.013 0 40 EIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2ccoc2c1 575603150 JKBQXUZEAVEALN-INIZCTEOSA-N 338.411 4.408 0 40 EIAB CCS[C@H](C)c1noc(-c2c(C(F)(F)F)nc3n2CCCC3)n1 596596863 WKVNEQVHFKHYMM-MRVPVSSYSA-N 346.378 4.102 0 40 EIAB Cc1cc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)no1 1535918585 AUSNKPVJMKYATF-RTBURBONSA-N 340.467 4.394 0 40 EIAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Cl)s1 1641199555 LNHRCUNMLUWBTI-CQSZACIVSA-N 331.824 4.018 0 40 EIAB CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1OC(C)=O 178266 VIILCLFXAFCFCH-UHFFFAOYSA-N 337.375 4.041 0 40 EIAB biogenic CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 265529 DJPZSBANTAQNFN-OFELHODLSA-N 330.468 4.450 0 40 EIAB biogenic,in-vitro Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c1 422931 YNGAATVRGZSMNI-YJBOKZPZSA-N 328.799 4.418 0 40 EIAB NNc1nc(-c2ccccc2Cl)nc2sc3c(c12)CCCC3 520430 MXFWNIREHUEYRG-UHFFFAOYSA-N 330.844 4.176 0 40 EIAB aggregator Cc1ccc(C(O)(c2ccc(C)c(C)c2)[C@@H]2CN3CCC2CC3)cc1C 1247371 AIEOARPRTKSOKM-HSZRJFAPSA-N 349.518 4.498 0 40 EIAB COc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 2426709 XEPONGAGERMXIZ-GJZGRUSLSA-N 336.218 4.221 0 40 EIAB COc1ccc2nc(SCc3cc(C(C)=O)ccc3OC)[nH]c2c1 4252326 LBCDSLUENUCEIA-UHFFFAOYSA-N 342.420 4.075 0 40 EIAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1 5218252 VNPPWTGISHTPPJ-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB Cc1cccc(CNC(=O)COc2ccc(C3CCCCC3)cc2)n1 5337831 YJQNUUZEYCZUNX-UHFFFAOYSA-N 338.451 4.133 0 40 EIAB C[C@@H]1[C@@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677012 OKEDHTSICXDDKB-BGUDKVOASA-N 348.398 4.437 0 40 EIAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 5699179 XIUBIUDCYJJLCC-UHFFFAOYSA-N 328.721 4.409 0 40 EIAB COc1ccc(Nc2cc(Sc3ccc(OC)cc3)ncn2)cc1 6794093 NCUNMODUTMUUSV-UHFFFAOYSA-N 339.420 4.389 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 6852968 PCSYKZBHHWWSPH-MEBBXXQBSA-N 339.222 4.237 0 40 EIAB Cc1ccc([C@H](NC(=O)COc2cccc(F)c2)c2ccccc2)cc1 7686154 OYLIMBCRCYFEQO-JOCHJYFZSA-N 349.405 4.419 0 40 EIAB CC1CCN(C(=O)c2cccc(OCCOc3ccccc3)c2)CC1 8563512 SYZJTSJSWOKWNP-UHFFFAOYSA-N 339.435 4.017 0 40 EIAB Cc1ccc(F)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 8734503 OCFMSAUOCPIAIY-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB Cc1cccc(CCCNC(=O)c2ccccc2Br)c1 10110649 ZHMWBBHZDMFWEN-UHFFFAOYSA-N 332.241 4.120 0 40 EIAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1Oc1ccccc1 10661188 QKKHIAGKSVAVBR-UHFFFAOYSA-N 335.407 4.010 0 40 EIAB Cc1ccc(OCCSc2nnc(-c3ccc(C)cc3)n2C)cc1 11152928 AHVOQSPTKXMHQL-UHFFFAOYSA-N 339.464 4.270 0 40 EIAB Cc1cc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc2ccccc12 12542035 JDSBVMJNOQQRCC-KBPBESRZSA-N 328.481 4.140 0 40 EIAB COc1ccc(-c2cc(CC(=O)Nc3cc(C)ccc3C)no2)cc1 12866946 AHXDLOCDZTYWHR-UHFFFAOYSA-N 336.391 4.148 0 40 EIAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 12999444 YGRTYKCCUMVBJR-RUDMXATFSA-N 332.762 4.089 0 40 EIAB CN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 14247222 DAMVUFHMFNSPSC-UHFFFAOYSA-N 325.339 4.483 0 40 EIAB CCCCC(=O)NC(=S)Nc1ccc(Br)cc1Cl 14257752 ZIVABNFOSVGOLT-UHFFFAOYSA-N 349.681 4.106 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 15281093 UXIQQNLHXTXISV-UHFFFAOYSA-N 325.408 4.034 0 40 EIAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccco1 16020763 WPXKQAJPUXBJHM-UHFFFAOYSA-N 337.444 4.419 0 40 EIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 16751649 BVJCOIDZWPPSPM-IBGZPJMESA-N 347.414 4.447 0 40 EIAB CCc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCC3 17067329 PUHHJFVKQPILQW-UHFFFAOYSA-N 328.462 4.161 0 40 EIAB C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(Cl)cc1 23269043 AOBSFVGHEQHDMV-ZDUSSCGKSA-N 325.799 4.017 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c(C)c1 24451696 LRTTUJRIODDPLV-UHFFFAOYSA-N 339.410 4.178 0 40 EIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1CCC1 32900337 PJEYJIKQLPESRY-OAHLLOKOSA-N 336.435 4.258 0 40 EIAB CCCCOc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1 33909592 RYHYTCMCROKRPL-AQTBWJFISA-N 339.366 4.349 0 40 EIAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(OC(F)F)c1 36395030 RDZAQCUTEDPDDS-VIFPVBQESA-N 327.277 4.057 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)N1CCC[C@H]1c1cccc(Cl)c1 40150534 BTYCUZYOIYGNQW-ZDUSSCGKSA-N 348.859 4.438 0 40 EIAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1c(F)cccc1F 57369067 KVAAIDFALHRVAE-CYBMUJFWSA-N 347.361 4.165 0 40 EIAB CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@@H](C)c1cccnc1 71908732 YRJDPMNSUXAVLD-INIZCTEOSA-N 349.434 4.279 0 40 EIAB C[C@H](CN(C)C(=O)c1ccccc1-c1cncnc1)c1ccccc1 71921736 HYHQSMDWOZZDQP-MRXNPFEDSA-N 331.419 4.019 0 40 EIAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCCN(CC(C)(C)C)C2)n1 72353602 CHSILKWQWOMIPF-INIZCTEOSA-N 326.488 4.016 0 40 EIAB Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)n1 72404199 PBJBBPCXVCPFHM-UHFFFAOYSA-N 345.324 4.159 0 40 EIAB Cn1cccc1CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 72405523 FHRFJSQZKDXECA-UHFFFAOYSA-N 338.354 4.189 0 40 EIAB O=C(CCc1nc(-c2ccccc2Cl)no1)NC1CCCCCC1 75359570 SSUKXTXBPIJHII-UHFFFAOYSA-N 347.846 4.162 0 40 EIAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)Cc2cccnc2)n1 76042879 VAJIDTQKFVFXFQ-HNNXBMFYSA-N 343.496 4.132 0 40 EIAB COc1cc(OC)cc(C(=O)O[C@@H](CC(C)C)c2ccccn2)c1 84509945 YFTLTVQGTFLIAT-SFHVURJKSA-N 329.396 4.043 0 40 EIAB COc1cccc2cc([C@H](C)NCc3ccc([S@@](C)=O)cc3)oc12 85299267 MJVYCTUFHLBTKM-RZFZLAGVSA-N 343.448 4.030 0 40 EIAB Fc1ccc(NCc2nnc(Cc3ccccc3)o2)c(OC(F)F)c1 86211207 ZSAQKBJHSJYCNP-UHFFFAOYSA-N 349.312 4.013 0 40 EIAB CC(=O)c1ccc(N(C)C)cc1OCc1coc(-c2ccccc2)n1 89331229 AALRKPHASNWCRV-UHFFFAOYSA-N 336.391 4.189 0 40 EIAB O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br 90413356 QMARPZPREXIREN-UHFFFAOYSA-N 337.013 4.185 0 40 EIAB Cc1ccc(CNc2cccc(C[S@](=O)C3CCOCC3)c2)s1 95429131 QUWPGWYEPDPIDG-HSZRJFAPSA-N 349.521 4.096 0 40 EIAB CC(C)n1ccc2c(NC(=O)c3cc(=O)[nH]c4ccccc34)cccc21 95477882 RZHNKWMVHNAVTF-UHFFFAOYSA-N 345.402 4.316 0 40 EIAB CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1C 96389116 RPWOHKRPIWHCMO-INIZCTEOSA-N 337.341 4.131 0 40 EIAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](CCO)C3)cc2)c1 96462383 IPNLSXVBGFZXAI-INIZCTEOSA-N 340.423 4.024 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)CC2=O 100190177 GYENTNGSTLNTHQ-IAGOWNOFSA-N 339.357 4.429 0 40 EIAB Cc1ccncc1NC(=O)c1ccccc1OCCOc1ccccc1 104453080 QXMWJFXIHGWAGB-UHFFFAOYSA-N 348.402 4.100 0 40 EIAB CSCCC(=O)c1ccc(Br)c(C(F)(F)F)c1 124496928 CQMUIJHLGCSRHL-UHFFFAOYSA-N 327.165 4.404 0 40 EIAB COc1ccc(C(=O)N2CCS[C@H](c3cccs3)CC2)cc1 219476647 YSDQJBOJTSBQFT-INIZCTEOSA-N 333.478 4.077 0 40 EIAB COc1ccc(CCC(=O)NCCSc2ccc(C)cc2)cc1C 222759392 RXMKLLMVYCNFEK-UHFFFAOYSA-N 343.492 4.153 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223217912 VQIFNSJACZBEAO-CVEARBPZSA-N 337.463 4.382 0 40 EIAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225809733 XMVNLBVENDWOGU-VLIAUNLRSA-N 327.424 4.382 0 40 EIAB NC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244342 IVIDIIKSXNCPBF-UHFFFAOYSA-N 334.984 4.115 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([C@@H](C)O)cc1 226273292 NJPLPHDANNQGSG-SECBINFHSA-N 340.206 4.308 0 40 EIAB COc1ccc(S(=O)(=O)N(c2cc(C)ccc2C)C(C)C)cc1C 517645752 ICANIBJYHJSIFZ-UHFFFAOYSA-N 347.480 4.224 0 40 EIAB Oc1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1 1777699093 UNNHUSXTCNMGSB-UHFFFAOYSA-N 347.296 4.491 0 40 EIAB O=C(Oc1cccc(OC(=O)c2cccs2)c1)c1cccs1 323545 ZNDFKSQRSUZJKH-UHFFFAOYSA-N 330.386 4.248 0 40 EIAB O=C(CSc1ncccn1)N(C1CCCCC1)C1CCCCC1 1371915 PDDNPYFNDARVDR-UHFFFAOYSA-N 333.501 4.063 0 40 EIAB CCCOc1c(Cl)cc(C(=O)NCc2ccccc2)cc1OC 2140784 YIXWCTGSIPGYAK-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CCC(CC)c1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1 2646111 FZLHFXOEEUQHCY-UHFFFAOYSA-N 328.441 4.104 0 40 EIAB CCOc1ccc2nc(NC(=O)c3cccnc3SC)sc2c1 2663297 GEZTXMBSXIKJHM-UHFFFAOYSA-N 345.449 4.064 0 40 EIAB CCCCOc1c(Br)cc(Br)cc1C=O 2776708 KLACJKZHFJLGDL-UHFFFAOYSA-N 336.023 4.203 0 40 EIAB Cc1ccc(CN[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3339035 PMFRQAKGJWDBHX-ZDUSSCGKSA-N 336.357 4.131 0 40 EIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(SC(F)F)cc1 3344249 CYOJLQAMZMCNBD-LBPRGKRZSA-N 348.418 4.391 0 40 EIAB CCSc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 4174453 MQKLUQFTCMDFPD-UHFFFAOYSA-N 345.902 4.034 0 40 EIAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(F)c(F)c3)[nH]c2c1 4252440 VIFAKUHVEMIOSU-SECBINFHSA-N 348.374 4.213 0 40 EIAB COc1ccc2ccccc2c1[C@@H]1C=C(c2ccccc2)NC(=S)N1 4278878 XUTZLJFTNJFRRR-SFHVURJKSA-N 346.455 4.408 0 40 EIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 4330465 SFSQWJMMSJYNEA-UHFFFAOYSA-N 349.799 4.103 0 40 EIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC1CCCCCC1 4485038 XJZLUFALVKUYAE-UHFFFAOYSA-N 337.876 4.147 0 40 EIAB CC[C@H]1c2cc(OC)c(O)cc2[C@@H](c2ccc(O)c(OC)c2)[C@@H]1C 4683193 QSYFPBASFNGQSF-JNHSQIPHSA-N 328.408 4.390 0 40 EIAB O=C1OCC[C@H]1Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255706 CLZLXFFLRNGPFS-LLVKDONJSA-N 348.474 4.274 0 40 EIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)cc1 5446628 YTJILCCPFZPZBS-MJGOQNOKSA-N 340.854 4.097 0 40 EIAB CC(C)CC[C@@H](C(N)=O)[C@H]1NC2(CCCCC2)Cc2ccccc21 5832624 IEYQENFPCJVEIG-MOPGFXCFSA-N 328.500 4.114 0 40 EIAB O=C1OCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 5901554 SUBQMFWDAFLXIQ-HNNXBMFYSA-N 336.416 4.151 0 40 EIAB O=C(COc1cccc2cccnc12)Nc1ccc(C(F)(F)F)cc1 6127996 KYRJBEFVKSYSAO-UHFFFAOYSA-N 346.308 4.271 0 40 EIAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccs1 7414733 PZRIXWKZEFWESB-UHFFFAOYSA-N 330.361 4.028 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cc1C 7942225 DRMPBVVIRXMQSG-FQEVSTJZSA-N 334.419 4.206 0 40 EIAB Cc1cccc(NC(=O)CN(C)Cc2ncc(-c3ccccc3)o2)c1C 8152717 DHJLHTRWBGIQQH-UHFFFAOYSA-N 349.434 4.029 0 40 EIAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1 8312028 PXVSMQWCFFJOQB-CQSZACIVSA-N 325.408 4.105 0 40 EIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 8470872 IJQJYCMCNJVCCA-MRXNPFEDSA-N 344.414 4.430 0 40 EIAB Cc1cccc(-n2ncc3c(Nc4ccc(C)cc4C)ncnc32)c1 9044651 JFKYIIGWUVMZOB-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C1 10134980 XBNSTAMIWBWVRE-MGPUTAFESA-N 349.430 4.013 0 40 EIAB O=S(=O)(Cc1c(F)cccc1Cl)NCCC1CCCCCC1 10543536 PKHZKAQMRQBBFJ-UHFFFAOYSA-N 347.883 4.259 0 40 EIAB CC(C)(C)c1ncc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 12148462 YXBDZQSGVQMMBA-UHFFFAOYSA-N 348.406 4.214 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)cs1 12546096 NZNPTTNCXDHGGB-UHFFFAOYSA-N 337.448 4.437 0 40 EIAB Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1C 12552457 NSPCPKAPLSGPCB-UHFFFAOYSA-N 331.419 4.109 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)cc1 12989343 QNHAIUBGNDRMOG-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccccc1C(F)(F)F 13265257 URVSBLFEMKBFOG-DYVFJYSZSA-N 333.357 4.066 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccccc2)c1 13672268 APBOMCKIQPFNME-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB Cc1cccnc1NC(=O)c1ccc2nc(-n3cccc3)sc2c1 13685178 XAKNLUWKLRTWLH-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 13765484 WTFHKZSNXZRVNV-UHFFFAOYSA-N 349.217 4.414 0 40 EIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 13846049 TTZPHNFNLGIKKS-QZTJIDSGSA-N 333.387 4.243 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCCOc2ccccc2)c1 15491354 GGOWFEZZVROONS-MRXNPFEDSA-N 329.465 4.443 0 40 EIAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(F)cc(F)c1 16120411 FNDTZLQUTBAZAV-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB O=C(CSCc1ccc(F)cc1)NCCSCc1ccccc1 20044184 BOWCSMWTXWSXLK-UHFFFAOYSA-N 349.496 4.109 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 20143917 IPHCLILKDIEOQU-UHFFFAOYSA-N 347.798 4.179 0 40 EIAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2)cc1OC 20491073 FAUKTUPFGSXMSE-YRNVUSSQSA-N 345.826 4.029 0 40 EIAB CCCCc1nc2c3c(C)c(C)n(-c4ccc(F)cc4)c3ncn2n1 21801680 DDBRMYGPLILYTK-UHFFFAOYSA-N 337.402 4.167 0 40 EIAB C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccncc1 22622098 GSEKZCFKNWJIHK-SNVBAGLBSA-N 326.343 4.185 0 40 EIAB O=C(CNc1cccc(OC(F)(F)F)c1)Nc1ccc(Cl)cc1 24368635 VGSGQBZHKMJIDQ-UHFFFAOYSA-N 344.720 4.289 0 40 EIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 24606135 CANXQMKERHSRSG-UHFFFAOYSA-N 336.391 4.213 0 40 EIAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 24613781 DNXXIPJFVYAQKH-UHFFFAOYSA-N 334.350 4.330 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H]1c1ccc(F)cc1 25535096 YUMDVYPTYQWMHI-MRXNPFEDSA-N 326.396 4.413 0 40 EIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C)cc1C 28189460 BKMCNUJKXGOEKJ-UHFFFAOYSA-N 341.436 4.077 0 40 EIAB Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220937 DBORCEXPXAUADP-QGZVFWFLSA-N 342.870 4.499 0 40 EIAB Cc1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c(C)o1 32610039 GJNDGNIHZDBLKT-UHFFFAOYSA-N 347.777 4.186 0 40 EIAB O=C(c1ccc2cn[nH]c2c1)N1CCC[C@@H]1c1nc2ccccc2s1 32901050 IDJZHFAWKGHFRK-MRXNPFEDSA-N 348.431 4.150 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl 34815234 UIPIFXXAAWLTOI-UHFFFAOYSA-N 349.843 4.116 0 40 EIAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38833830 BZAWMIGEMMJFQE-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB COCCN(Cc1ccsc1)C(=O)c1cccc2ccccc12 42382169 ASHZCIYDECLDNV-UHFFFAOYSA-N 325.433 4.190 0 40 EIAB O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc2ccccc2[nH]1 47535144 MYAGXSXXUUPTQA-UHFFFAOYSA-N 348.406 4.048 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)Nc2cc(F)ccc2F)c1 51354403 FHTGOQJCHHMSNF-UHFFFAOYSA-N 336.338 4.406 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 54030074 KQPKMJBIEMPFGH-UHFFFAOYSA-N 342.414 4.069 0 40 EIAB O=C(Nc1cc(F)ccc1F)c1cc(-c2ccccc2Cl)[nH]n1 57412294 COCZVJIGSUXLHJ-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB CC(C)[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 57452437 XBPBNVRLQHBGRH-UXHICEINSA-N 340.442 4.132 0 40 EIAB Cc1cc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)on1 58211809 GPWRAIJLGRJVIN-UHFFFAOYSA-N 348.362 4.113 0 40 EIAB Cc1ccc(N2CCN(CC(=O)c3ccc(C(C)C)cc3)CC2)cc1 67206505 WTUJWVRKRJCMHL-UHFFFAOYSA-N 336.479 4.123 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)N(CC)[C@@H]2CCCC[C@H]2C)cs1 71910047 HOYAPFPYCFSQDE-IIAWOOMASA-N 338.517 4.210 0 40 EIAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CCC1 72215455 XXFRSTNHZYEXGB-MRXNPFEDSA-N 331.460 4.190 0 40 EIAB CCn1c(COc2ccccc2F)nnc1SCc1ccccc1 75339786 QTYZEHXJSUNHTD-UHFFFAOYSA-N 343.427 4.308 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cc(C)ccc1OC 76018460 DBTRXTHTBKIAQQ-MAUKXSAKSA-N 341.455 4.252 0 40 EIAB Cc1noc(C)c1CSCC(=O)O[C@H](C(C)(C)C)C(F)(F)F 89532408 ZTGWFUXHUIXSEU-GFCCVEGCSA-N 339.379 4.045 0 40 EIAB O=C(CCC(=O)c1cccs1)NC1(c2ccc(F)cc2F)CCC1 89799901 UWQDRFUYQKBWLE-UHFFFAOYSA-N 349.402 4.185 0 40 EIAB C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccccc1C(C)(C)C 95467010 XXAQJJMKSNYJEI-HNNXBMFYSA-N 331.504 4.178 0 40 EIAB CCOC(=O)Nc1cccc(-c2csc(-c3cccnc3)n2)c1 103766568 UQYIUMNHWVGPOX-UHFFFAOYSA-N 325.393 4.441 0 40 EIAB CN(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926851 KIVXGCJMIWJWBX-CPDXTSBQSA-N 345.527 4.421 0 40 EIAB COc1ccc2cc(C(=O)N[C@@H](C)CCc3ccccc3)c(C)nc2c1 138221420 NSGNGYHKUVPGCM-HNNXBMFYSA-N 348.446 4.303 0 40 EIAB CSc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C 162338462 FGBQHVRZMOGUNL-UHFFFAOYSA-N 335.432 4.426 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSC1CCCCC1 216241663 ROANHGUYUQNXJW-HNNXBMFYSA-N 335.513 4.198 0 40 EIAB Nc1cc(Cl)cc(Cl)c1N1CCN(c2ccc(F)cc2)CC1 216881440 FGVOKZSRQDOQDV-UHFFFAOYSA-N 340.229 4.041 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)c(C)c1 223641754 OJRYJSGMHBEBNJ-UHFFFAOYSA-N 333.431 4.194 0 40 EIAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1 224090412 LXIAVBYZAAANQW-UHFFFAOYSA-N 339.435 4.290 0 40 EIAB CC(C)CSc1nnc(NC(=O)c2cccc(Cl)c2)s1 224540502 KQTUJTKKPVVASC-UHFFFAOYSA-N 327.862 4.192 0 40 EIAB CCOc1cccc(NC(=S)N[C@H](C)CCc2ccccc2)c1 225514656 SPWBFUFCLXMYOV-OAHLLOKOSA-N 328.481 4.393 0 40 EIAB CC(=O)c1ccc(NC(=O)c2ccc(Oc3nccs3)cc2)cc1 225637119 MUOGRZKJXZHCSU-UHFFFAOYSA-N 338.388 4.390 0 40 EIAB C[C@]1(c2ccccc2)CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1 1559534555 QCUBRLQSVIFIPU-QFIPXVFZSA-N 349.430 4.052 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)CCC(=O)O)cc3)sc2c1 248157 RVPPKPDANXARLG-UHFFFAOYSA-N 340.404 4.075 0 40 EIAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2)n1 498605 SZHCNKWXLVKBFU-UHFFFAOYSA-N 329.359 4.474 0 40 EIAB aggregator COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1 1353499 OMOJPBKCQYJGGD-UHFFFAOYSA-N 348.377 4.406 0 40 EIAB Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(C(C)(C)C)cc2)n1 1387815 IFLPBGITXYCPLK-UHFFFAOYSA-N 333.453 4.192 0 40 EIAB O=C(O)CCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242950 IHVOWHQTDQOSDM-UHFFFAOYSA-N 328.208 4.162 0 40 EIAB O=C(Cc1ccccc1F)Nc1nc2c(s1)CCc1ccccc1-2 3433288 WNTWKVJDXKYFEN-UHFFFAOYSA-N 338.407 4.229 0 40 EIAB Cc1cc(Br)cc(Cl)c1OC(=O)c1ccncc1 3556306 MRMHLCIXCARZGG-UHFFFAOYSA-N 326.577 4.025 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 4263024 GTXPSLNLMBRBMK-GFCCVEGCSA-N 330.453 4.307 0 40 EIAB Cc1ccc2cccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c2n1 5198722 VGSUVEDGVUBIPA-LJQANCHMSA-N 346.430 4.116 0 40 EIAB COC(=O)[C@@H](C)Sc1nc(-c2cccs2)nc2ccccc12 5288131 UHUXZDOWKJPESL-SNVBAGLBSA-N 330.434 4.012 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 5509045 KNOXBQBNQXQHQQ-CQSZACIVSA-N 325.408 4.153 0 40 EIAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1c[nH]c2ccccc12 6115080 AIMQRJUCGYKSFB-UHFFFAOYSA-N 343.766 4.045 0 40 EIAB CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccco2)cc1 6747371 ZRPQSRCNYPZGNN-UHFFFAOYSA-N 339.391 4.043 0 40 EIAB CC[C@@H](C)NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 6787052 HBTNJRNARIOGFA-GFCCVEGCSA-N 327.852 4.302 0 40 EIAB CCOc1ccc(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc1 7028513 TVQZEVMWNMIYND-ZDUSSCGKSA-N 343.448 4.407 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)C1(c2ccc(Cl)cc2)CC1 7216475 ZMPMEAJLILVKMK-MRXNPFEDSA-N 327.811 4.012 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2)cc1OCC 7404772 RHVDYRDBDKQYCK-CYBMUJFWSA-N 331.387 4.114 0 40 EIAB Cc1cccc(Cn2cc(C(=O)Nc3c(C)cccc3C)ccc2=O)c1 7574112 AKJCSQDFGHZJHW-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB Cc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c(C)c1 7595990 FXWBELIAGYAENG-UHFFFAOYSA-N 342.801 4.368 0 40 EIAB CCN(CC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 7668499 KNJAQPQEVWBQSN-UHFFFAOYSA-N 325.437 4.083 0 40 EIAB COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl 8231765 ZOLFBMDMHYBSQF-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB in-vitro COc1ccc(/C=C/c2nnc(NC(=O)C3CCCCC3)s2)cc1 9289027 QQBBCMNNIQVKBR-FMIVXFBMSA-N 343.452 4.236 0 40 EIAB COc1ccc2cc(CNC(=O)NCc3ccc(C)cc3)ccc2c1 9710999 DEECDLJRPWOOEO-UHFFFAOYSA-N 334.419 4.156 0 40 EIAB O=C(Nc1ccc2scnc2c1)c1ccc(Br)s1 10217449 QMLKLLWNNUFHFP-UHFFFAOYSA-N 339.239 4.373 0 40 EIAB C[C@@H](CCc1ccco1)NC(=O)Cc1ccc(Cl)c(Cl)c1 12811343 FNVKIRBLSVTIOJ-NSHDSACASA-N 326.223 4.266 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2)c1 13710346 ZEUQJOWHRGWYIN-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB C[C@H]1CC(C)(C)N2C(=O)/C(=C3\SC(=S)N=C3O)c3cccc1c32 13768306 FGBZFYGJDSKZGE-WBGQNJONSA-N 344.461 4.018 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 17067700 XRVLLFYDUHEVGE-CQSZACIVSA-N 330.387 4.136 0 40 EIAB CCCCc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 18044662 TYUZAMQXJBBYIE-UHFFFAOYSA-N 338.451 4.015 0 40 EIAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@H]4C3)c2c1 19345187 CGLBQXCRGUSAEM-TXPKVOOTSA-N 339.483 4.427 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20458477 PNERQWQHXCUTCT-RTBURBONSA-N 345.414 4.259 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc2ncccc12 20913460 FLDFPJIBTUJZMF-UHFFFAOYSA-N 346.308 4.271 0 40 EIAB O=C(c1ccc(F)cc1)N1CCCC[C@H]1CCN1CCCCCC1 21170784 UYULQYXBYQPHDE-IBGZPJMESA-N 332.463 4.087 0 40 EIAB C[C@H](NC(=O)N1CCc2sccc2C1)c1ccc2c(c1)CCCC2 22395910 XATJHJIQRJHEND-AWEZNQCLSA-N 340.492 4.456 0 40 EIAB COc1ccc2nc(NC(=O)c3ccnc4ccccc34)sc2c1 26780143 NRBQSXROANMKMM-UHFFFAOYSA-N 335.388 4.105 0 40 EIAB CCOc1cc2c(cc1NC(=O)CCc1cccs1)O[C@H](C)C2 26886961 LFDPXVHBLMTOBU-GFCCVEGCSA-N 331.437 4.042 0 40 EIAB O=C(Nc1ccnn1Cc1cccs1)C12CC3CC(CC(C3)C1)C2 28405224 ULMBQOYQUHJBLT-UHFFFAOYSA-N 341.480 4.148 0 40 EIAB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1 31643732 VXSFYOQHEWQDKB-NBVRZTHBSA-N 331.419 4.141 0 40 EIAB Cc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1 31807385 SRCCMEIHRGNZMD-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB CC[C@H](CCSc1ccccc1)NC(=O)c1ccc(OC)cc1 32594026 JYCGEKBHRJOQLA-MRXNPFEDSA-N 329.465 4.386 0 40 EIAB CNC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 32903312 LXLCBHKJIAXCHV-UHFFFAOYSA-N 343.383 4.044 0 40 EIAB Cc1ccc(C)c(NC(=O)Cc2noc(/C=C/c3ccccc3)n2)c1 35316239 NOUQWCHMBORNSQ-ZHACJKMWSA-N 333.391 4.038 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O 38297907 QGISYVREUUQQKE-YLQUGHGXSA-N 332.484 4.341 0 40 EIAB Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)sn1 38680705 SYQKRRRWEKJQKZ-UHFFFAOYSA-N 333.800 4.321 0 40 EIAB O=C(NCCCOC1CCCCC1)Nc1ccc(OC(F)F)cc1 40024033 SCEIHHYNWNYXQI-UHFFFAOYSA-N 342.386 4.149 0 40 EIAB Cc1nc(CSCCC(=O)N[C@@H](C)c2cccc(F)c2)cs1 40069631 XEGQZMGRJBMHLV-NSHDSACASA-N 338.473 4.091 0 40 EIAB COc1ccc(NCc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 40174475 ACZLWJZNUPTNBL-UHFFFAOYSA-N 336.439 4.390 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 57309372 AOSFOSFWCPVBQH-UHFFFAOYSA-N 337.379 4.293 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2cccnc2SC(F)(F)F)o1 58413308 LWFRCJZZECRZGY-SECBINFHSA-N 330.331 4.086 0 40 EIAB CCOC(=O)c1ccc(Nc2ccnc3c(OC)cc(C)cc23)cc1 64874666 XUWVKLKUJMFZCV-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c2[nH]ncc12 69046470 CDECAKKJKJNOBU-JQWIXIFHSA-N 325.334 4.179 0 40 EIAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2C[C@H]2c2ccco2)c1 69415473 UOPURNNMQRNHLG-WOJBJXKFSA-N 346.430 4.316 0 40 EIAB CCN(C(=O)C[C@H](C)c1cccnc1)[C@H](C)c1cccc(OC)c1 70040463 XXTOHTZJKRIWSK-JKSUJKDBSA-N 326.440 4.194 0 40 EIAB CCc1cccc(CC)c1NC(=O)Nc1cnn(Cc2ccncc2)c1 71911709 YBJHXZGEJYSFMF-UHFFFAOYSA-N 349.438 4.095 0 40 EIAB CC[C@H](NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1 71915972 XWQOFXKXJYQBMD-ZDUSSCGKSA-N 333.461 4.118 0 40 EIAB Cc1nc(C(=O)N2CCC[C@@H]2c2cccc(Oc3ccccc3)n2)co1 72384506 KMCBBTITLLBBCS-GOSISDBHSA-N 349.390 4.148 0 40 EIAB CC[C@H]1CN(Cc2nnc(-c3ccccc3C)o2)c2ccccc2O1 75840517 LRMSOGYGJOYRBJ-HNNXBMFYSA-N 335.407 4.223 0 40 EIAB O=C(NCC[C@@H](O)c1cccc2ccccc12)c1cccc(Cl)c1 77116553 OTIQVKWAFYNRBN-LJQANCHMSA-N 339.822 4.347 0 40 EIAB CCCC(=O)Nc1ccc(OCc2ncc(C(C)C)o2)c(C(C)=O)c1 79097190 QTPZBLJYEOFMEJ-UHFFFAOYSA-N 344.411 4.318 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 81313590 UWCIFWHBJDPYIL-UHFFFAOYSA-N 325.252 4.120 0 40 EIAB Cc1ccc(/C=C/S(=O)(=O)N(Cc2ccco2)C2CCCC2)cc1 84148601 SGFLMHVBLGHURU-WYMLVPIESA-N 345.464 4.333 0 40 EIAB O=C(NCc1cccc2ccccc12)c1c(Cl)nc2ccccn12 84598464 AXDKOHFIWRAFJF-UHFFFAOYSA-N 335.794 4.071 0 40 EIAB C[C@H](NCc1cnc(C2CCC2)s1)c1ccc(-n2cccn2)cc1 89904942 WEAHEUPFFJRFQE-AWEZNQCLSA-N 338.480 4.447 0 40 EIAB C[C@@H](c1nnc(C(F)(F)F)o1)N(C)Cc1cccc2ccccc12 89913779 DTQKCESGBUCKHS-NSHDSACASA-N 335.329 4.435 0 40 EIAB CN(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)nc1 95385791 CBAHOSNWZMWBQZ-UHFFFAOYSA-N 333.391 4.192 0 40 EIAB CC[C@@](C)(NC(=O)c1sccc1Br)c1nccs1 96416609 VIBNJKYMZXJMPP-GFCCVEGCSA-N 345.287 4.022 0 40 EIAB CCN1C(=O)[C@H](Cc2cccc(F)c2)c2cc(Br)ccc21 101014156 DEXKSMRKFJGDDJ-OAHLLOKOSA-N 348.215 4.281 0 40 EIAB CSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(O)C[C@@H](C)CC1=N2 102710907 SITXGLJXAUQYLU-ISVAXAHUSA-N 346.481 4.287 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104493165 WQVMLLJZZDUUPC-WCLQXYBISA-N 339.564 4.383 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1C 113960727 NLUMDDKIOLZJKT-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1sccc1-c1nc(C2CC2)no1 206890762 QRKHOFJWYFLOIO-RMKNXTFCSA-N 337.404 4.327 0 40 EIAB CCOC(=O)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 216936635 OCOUVLHPDZPTGZ-UHFFFAOYSA-N 328.751 4.290 0 40 EIAB CCCCOCc1cc(C(=O)NC2CCCCCC2)ccc1OC 224433845 OKWPEKPNJDMSIX-UHFFFAOYSA-N 333.472 4.465 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)Nc2ccc(C)cc2)c1 225454222 VSXJBYVTBSHMDT-UHFFFAOYSA-N 328.437 4.289 0 40 EIAB CC(=O)N[C@@H]1C[C@H](c2cccc(Cl)c2Cl)O[C@@H]2CCC[C@@H]12 257219001 DFEYWKCCOIUDKI-CJYSPXJISA-N 328.239 4.128 0 40 EIAB Cc1cccc(C[C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)n1 257229837 FZQUVAXJIUKHIY-QGZVFWFLSA-N 345.446 4.033 0 40 EIAB CCc1oc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C 390834228 UVSSWXTWLVXQIX-WMZOPIPTSA-N 345.414 4.282 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1cc(Cl)ccc1C 409174844 VYKXFGNBJRXPAU-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB O=C(Oc1ccc(N2CCCC2)cc1)c1nc(Cl)sc1Cl 585125826 GUJGIRIKSKRZRW-UHFFFAOYSA-N 343.235 4.269 0 40 EIAB CC(C)CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615530623 ZCMRPSIBLHNVDH-APWZRJJASA-N 346.490 4.468 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc2nc(C(C)(C)C)cn2n1 1888910625 GONWQNOMQLWWEP-UHFFFAOYSA-N 342.830 4.241 0 40 EIAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(NCc3ccccc3)ncc21 34429 REHCLXWBVOWVQA-INIZCTEOSA-N 347.393 4.141 0 40 EIAB Cc1cccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)c1 55307 MXFZHYRPRANCIP-OQLLNIDSSA-N 342.192 4.102 0 40 EIAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C(C)C 410497 CDGBIVXKQRQAFI-UHFFFAOYSA-N 346.500 4.159 0 40 EIAB COc1ccc(C(=S)N2CCCCC2)cc1OCc1ccccc1 566434 QGPSSJJIKYUTHS-UHFFFAOYSA-N 341.476 4.436 0 40 EIAB CCCCN(C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1 3339573 BMMCAVGWGVEISR-UHFFFAOYSA-N 340.448 4.178 0 40 EIAB CCc1cccc(C)c1NS(=O)(=O)c1ccccc1C(F)(F)F 3358030 NQRLSBNBDKQFNC-UHFFFAOYSA-N 343.370 4.377 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4037911 CEZKLEHYJURHTB-PPUWAGDWSA-N 349.515 4.115 0 40 EIAB biogenic CC(C)C(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 4478317 MCQUCZRZWLRBJF-UHFFFAOYSA-N 338.382 4.258 0 40 EIAB CCCN(CCC)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1 4664726 PRCNIRSXAUBOSC-SDXDJHTJSA-N 337.423 4.145 0 40 EIAB CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2)c1 4696245 XAAKFVUFWHOZJM-IBGZPJMESA-N 336.435 4.344 0 40 EIAB c1ccc(CCCc2nn3c(-c4cccs4)nnc3s2)cc1 4939199 ODBPIERZPUGMHS-UHFFFAOYSA-N 326.450 4.090 0 40 EIAB Cc1cc(C)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(Cl)c1 6418578 PQTKEQSHWHQOGW-GQCTYLIASA-N 329.783 4.337 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 6931950 KVDPCLPTKHATSA-GVDBMIGSSA-N 346.902 4.123 0 40 EIAB CCN(CC)CCCNC(c1ccc(F)cc1)c1ccc(F)cc1 6937543 JOMPYPVVGGDYES-UHFFFAOYSA-N 332.438 4.376 0 40 EIAB COc1ccc(C)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 7056421 QXBAOTMHURPIGN-MDZDMXLPSA-N 337.828 4.070 0 40 EIAB O=C1c2ccccc2N[C@]2(CCc3ccccc3C2)N1Cc1ccco1 7112926 LSPSUSUWZRUASV-JOCHJYFZSA-N 344.414 4.233 0 40 EIAB c1nc(Nc2ccc3c(c2)OCCCO3)c2c3c(sc2n1)CCC3 8054285 PUMLDFFVQQQBMR-UHFFFAOYSA-N 339.420 4.085 0 40 EIAB Oc1cccc2ccc(/C=C/c3cc(Cl)c4c(c3)OCO4)nc12 8079035 ZMPPKBUHCRWEHX-GQCTYLIASA-N 325.751 4.493 0 40 EIAB O=C(Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1C(=O)O 8187808 OIXVYDASPWNCQC-UHFFFAOYSA-N 339.778 4.373 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 8496251 FFZOZKSEYPAEDQ-UHFFFAOYSA-N 341.495 4.448 0 40 EIAB CC[C@@H](C)NC(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844289 IVUVCYQAUYRPGB-CQSZACIVSA-N 347.418 4.045 0 40 EIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCCCCC1 9314651 GDJJWIJJXQQXAI-UHFFFAOYSA-N 346.452 4.308 0 40 EIAB CCOc1ccc(Nc2ncccc2C(=O)Nc2ccnc(C)c2)cc1 10165178 VGLYUTFXBFKTJH-UHFFFAOYSA-N 348.406 4.180 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2C)cc1OCC 13668297 PMEBEDCJGSQQBI-OAHLLOKOSA-N 327.424 4.283 0 40 EIAB CCCc1cc(C(=O)Nc2ccccc2N2CCCC2=O)sc1C 16105846 BXNCDSVMNAKNPC-UHFFFAOYSA-N 342.464 4.388 0 40 EIAB CC(C)c1ccc(/C=C\[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 17150149 PZKRHDFROJTOHK-OILJVOJPSA-N 346.474 4.447 0 40 EIAB CCc1ccccc1NC(=S)NCCSCc1ccccc1 18943074 FCEGAVONEYICCV-UHFFFAOYSA-N 330.522 4.469 0 40 EIAB CN1CCN(CCCCCCOc2cccc3ccccc23)CC1 19706948 XQANBWSRZAXEER-UHFFFAOYSA-N 326.484 4.026 0 40 EIAB CCc1ccc(OCCNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 19738228 XAKNQACDELNILW-NRFANRHFSA-N 341.451 4.298 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)c(OC)c1 20036579 UCUMOJJMMKBLLS-OAHLLOKOSA-N 349.814 4.153 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccccc1OC 20456071 FQLPTBVGKJFWCH-SFHVURJKSA-N 341.451 4.128 0 40 EIAB COc1ccc(CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC 20457261 XFFRZBMMPSETHZ-SFHVURJKSA-N 341.451 4.150 0 40 EIAB COc1ccccc1C1(CNC(=O)Cc2ccc(F)cc2)CCCC1 21692365 VUSJBIMDUMFYGY-UHFFFAOYSA-N 341.426 4.005 0 40 EIAB Cn1ncc2c(SCCC34CC5CC(CC(C5)C3)C4)ncnc21 21754506 MEYVHJOUVZULKV-UHFFFAOYSA-N 328.485 4.062 0 40 EIAB Nc1c(Cl)cc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1Cl 24050243 DJQXZFVDQBRVIZ-UHFFFAOYSA-N 347.205 4.014 0 40 EIAB C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ncc(Cl)cc1Cl 27975543 OHQFWRHSNGZCLI-ZETCQYMHSA-N 347.148 4.073 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc2c(c1)CCC2 31520150 KKPXUVFHUDTRPE-UHFFFAOYSA-N 348.471 4.404 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1 32397096 PRIQLJHURKCEMY-FUHWJXTLSA-N 327.449 4.099 0 40 EIAB Cc1cc(C(=O)OCc2nc3ccccc3nc2C)c2ccccc2n1 32638787 VQCRTNDBNIKFHX-UHFFFAOYSA-N 343.386 4.152 0 40 EIAB Cc1noc2nc3c(c(C(=O)Nc4ccc(F)c(Cl)c4)c12)CCC3 35686445 RHHHPALWXVOKRD-UHFFFAOYSA-N 345.761 4.065 0 40 EIAB O=C(OCc1cc(-c2cccs2)on1)c1cc(-c2ccco2)on1 38767054 VDSIFVWKRCCESO-UHFFFAOYSA-N 342.332 4.008 0 40 EIAB CCOCCCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 40132135 DVJHXDXDTCRHRL-OAQYLSRUSA-N 337.419 4.455 0 40 EIAB O=C(Nc1nccs1)c1ccc2c(ccn2Cc2ccccc2)c1 40288240 YCRKZFRCGHXWDM-UHFFFAOYSA-N 333.416 4.398 0 40 EIAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1F 41184926 SXWSIJKFRSVDSH-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB COc1ccc(CN[C@H](C)c2ccc(Br)cc2)cc1O 42275286 UEUVTFOFBANPQW-LLVKDONJSA-N 336.229 4.014 0 40 EIAB OCc1ccc(OCc2cccc(Br)c2)c(Cl)c1 43490292 VTHNKZGGWKKKBW-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)c1 44905915 OZHMGJZKHIVNPL-KRWDZBQOSA-N 333.435 4.039 0 40 EIAB COc1cc([C@H](C)NC(=O)[C@H]2C[C@H]2C)ccc1OCc1ccccc1 48354814 XDHQWOVMKLHIBX-VKJFTORMSA-N 339.435 4.107 0 40 EIAB Cc1cccc(Cl)c1NC(=O)Cn1cc(C=O)c2ccccc21 51318990 PZWMAOYVGJWOTL-UHFFFAOYSA-N 326.783 4.054 0 40 EIAB CC(C)(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1 58018695 CHZWCOITOBXKGS-UHFFFAOYSA-N 338.329 4.356 0 40 EIAB Cc1ccccc1CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 58162889 RZKCXMICJSSORH-UHFFFAOYSA-N 332.488 4.074 0 40 EIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)CCc1ccco1 60372920 UEJIJRLOYMHFOX-UHFFFAOYSA-N 339.420 4.101 0 40 EIAB O=C(C[C@@H]1CCCO1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 60613388 CSLDWAFGRYQFGK-INIZCTEOSA-N 342.464 4.197 0 40 EIAB O=C(c1ccc(Oc2cccnc2)cc1)N(CC(F)(F)F)C1CC1 63307536 HWXJZELNOFTJIT-UHFFFAOYSA-N 336.313 4.041 0 40 EIAB Cc1noc(C)c1C(=O)N1CC=C(c2cccc3ccccc23)CC1 63691649 STLLQQOEYLFISC-UHFFFAOYSA-N 332.403 4.374 0 40 EIAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 65585268 WAUPCKCDXATISF-CYBMUJFWSA-N 327.428 4.205 0 40 EIAB COc1ccc(CSc2nc3ccsc3c(=O)n2C2CC2)cc1 67259751 FQWITANFWWVOOD-UHFFFAOYSA-N 344.461 4.094 0 40 EIAB C[C@@H](c1ccccn1)N(C(=O)c1cnc(-c2ccco2)s1)C1CC1 69529069 YBOQVCJSTHSCFN-LBPRGKRZSA-N 339.420 4.164 0 40 EIAB COCc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 69743916 BJUUVNMAYOPGNK-FQEVSTJZSA-N 347.418 4.139 0 40 EIAB Cc1noc(C)c1CNC(=O)CS[C@H](C)c1ccc(Cl)cc1 71882591 ZLFSXQCNVFREAO-GFCCVEGCSA-N 338.860 4.055 0 40 EIAB Cc1cnc([C@H](NC(=O)NC2(c3cccc(F)c3)CC2)C2CC2)s1 74703826 VWCFRZSODDCSAV-OAHLLOKOSA-N 345.443 4.030 0 40 EIAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 78182758 YNVVKLXVRRYOMU-PMACEKPBSA-N 329.484 4.330 0 40 EIAB O=C(Nc1c(F)cccc1NC1CC1)c1occc1Br 89768180 KRZIAZQOWJJHLV-UHFFFAOYSA-N 339.164 4.008 0 40 EIAB Cc1nc(-c2ccc(CCN[C@H](C)C3CCOCC3)s2)cs1 95419565 MUJSKCSQGIMDBN-GFCCVEGCSA-N 336.526 4.127 0 40 EIAB CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc(F)ccc2F)CCO1 95465794 JMBQOVQXTUNXCD-CZUORRHYSA-N 326.387 4.070 0 40 EIAB Cc1nc(C(C)C)c(-c2nn3c(-c4ccccc4)nnc3s2)s1 95473315 DMNSTDPYOOWTAP-UHFFFAOYSA-N 341.465 4.408 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccccc21 96221722 OWYVBUFYHFAHIO-FQEVSTJZSA-N 343.430 4.386 0 40 EIAB biogenic CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCc2ccc(F)cc21 96415481 SLSXEHYXQSQGKV-QZTJIDSGSA-N 327.403 4.001 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 96434806 POBGPZZOZZEIKX-VBQJREDUSA-N 335.517 4.057 0 40 EIAB CC(C)CCCCCCOc1ccc([C@H]2CC(=O)N(C)C2=O)cc1 100741038 SLOINWSHWICARJ-GOSISDBHSA-N 331.456 4.144 0 40 EIAB biogenic CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 113968890 HLMORSPULAJYGJ-SFHVURJKSA-N 327.424 4.444 0 40 EIAB COC[C@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CC[C@@H]2CC1=O 118930975 WACMAERIMWMBMZ-RSVWRCPKSA-N 348.527 4.222 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1 218931215 AYYOBUIXKILHOE-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2ccc(C)c(C)c2)cc1 223441618 IGGDSHWYJGUBRY-UHFFFAOYSA-N 343.492 4.289 0 40 EIAB CC(C)c1ccccc1OCCNC(=O)COc1ccc(Cl)cc1 223743399 WGQICZOYCBUEPV-UHFFFAOYSA-N 347.842 4.037 0 40 EIAB CC1(C)C[C@H](NC(=O)Cc2ccc(Cl)cc2F)c2ccccc2O1 225088429 LYVDOJXERLUQJB-INIZCTEOSA-N 347.817 4.440 0 40 EIAB CC(C)NC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474703 MXBJMOBEUVYBCH-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC(C)(C)C 225884366 NCRIVSCAQOZRHT-GOSISDBHSA-N 349.540 4.371 0 40 EIAB C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)O)ccc2O1 257222351 DSYMWOOGOHRHCK-IBGZPJMESA-N 330.811 4.294 0 40 EIAB O=C(O)c1cc(Nc2nc3ccccc3nc2Cl)ccc1Cl 408755702 DSAZXMAHUHAQFV-UHFFFAOYSA-N 334.162 4.378 0 40 EIAB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 409237503 UXNJTCAFKDTHFS-FOWTUZBSSA-N 343.404 4.019 0 40 EIAB Cc1cccnc1OCC1CCN(Cc2csc(C3CC3)n2)CC1 585525760 BNEMHAQYHWLDJD-UHFFFAOYSA-N 343.496 4.015 0 40 EIAB C[C@H](NC(=O)c1ccc2scnc2c1)c1cccc(OC(F)F)c1 1124995063 PAERHZDRFNKVSJ-JTQLQIEISA-N 348.374 4.389 0 40 EIAB CC[C@H]1CCC[C@H]1NC(=O)c1c(C)nc(C(C)(C)C)nc1SC 1525915614 HDELRURETJSJHH-QWHCGFSZSA-N 335.517 4.113 0 40 EIAB CC[C@@H](C)C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889697815 FKFAODSFAWXPEP-GFCCVEGCSA-N 331.847 4.035 0 40 EIAB CN(C)c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 48673 SACZINPDBMDMKN-SFHVURJKSA-N 340.496 4.072 0 40 EIAB Cc1nc(Nc2ccccc2)c2cnn(CCc3ccccc3)c2n1 82114 SIVJHUIQRSSEML-UHFFFAOYSA-N 329.407 4.121 0 40 EIAB COc1ccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)cc1 573708 BXQXBFHXNBHQMC-UHFFFAOYSA-N 335.403 4.322 0 40 EIAB CCc1cccc(C)c1NC(=O)CCCOc1ccccc1OC 1892979 SCMGXOMEBAQCDT-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB CCn1cc(CC[C@H](C)NC(=O)c2cccs2)c2ccccc21 3765566 VGEIUULANVASPX-AWEZNQCLSA-N 326.465 4.474 0 40 EIAB C[C@@H]1CCc2sc3[nH]c(SCc4ccccc4)nc(=O)c3c2C1 4730790 AQRQBFGZRXEKMX-LLVKDONJSA-N 342.489 4.402 0 40 EIAB COc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 5749535 GPXKMOFOJRVQKZ-UHFFFAOYSA-N 327.424 4.418 0 40 EIAB CCCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)sc1C 6248759 IUFLPLBNGDARHP-UHFFFAOYSA-N 344.480 4.098 0 40 EIAB Cc1ccc(C)c(Cn2cc(C(=O)Nc3ccccc3C)ccc2=O)c1 7574204 AFXLKPAAJIWVBQ-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2s1 7883910 GNHBGWMHCWDHKK-UHFFFAOYSA-N 334.491 4.109 0 40 EIAB Cc1cc(C)n(CCCNC(=O)c2sc3ccccc3c2Cl)n1 7981036 GPTGUPVAKWEIEL-UHFFFAOYSA-N 347.871 4.188 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(OC(C)C)c1 8494915 RHUHTDOWIWJIOQ-QGZVFWFLSA-N 343.423 4.279 0 40 EIAB CC(=O)c1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1 8705133 QSBDHQOKMATWJU-MDZDMXLPSA-N 331.318 4.143 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)nc1C 8734501 ZKEMSIDPMGIRBM-UHFFFAOYSA-N 334.423 4.260 0 40 EIAB COc1ccccc1[C@@H](C)N[C@H](C)c1nnc(-c2ccc(C)cc2)o1 8940139 QUOORQRBPDMIDV-HUUCEWRRSA-N 337.423 4.465 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc2ccccc12 9694907 SEAZHLDCTPEZCO-UHFFFAOYSA-N 331.824 4.435 0 40 EIAB CC(C)Oc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 9694999 SBVUSZZQQQDKJA-UHFFFAOYSA-N 339.844 4.069 0 40 EIAB COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2C)c1 10225799 ILAXNRVQDZGWFS-HXUWFJFHSA-N 338.451 4.088 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CCCC3)n[nH]2)c(C)c1 12104215 HMFIATRYGZDNFE-CYBMUJFWSA-N 344.484 4.198 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccccc1 12758555 GOGIUJPOBDCSHO-UHFFFAOYSA-N 328.462 4.452 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1C(=O)c1ccccc1 12810642 ATZAZOUEUVHPPV-OAQYLSRUSA-N 341.410 4.335 0 40 EIAB CC(C)c1ccc(CCC(=O)NCCCN2CCCCCC2)cc1 13670998 MLCSQHMYJNBHJQ-UHFFFAOYSA-N 330.516 4.125 0 40 EIAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)c1ccc[nH]1 14095352 AQSZOPRLKLTOPJ-UHFFFAOYSA-N 335.388 4.193 0 40 EIAB CC1CCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)CC1 14118563 MXSPJTWNXIMOTD-UHFFFAOYSA-N 346.521 4.200 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(C)noc2n1 14179844 KDZSAWCNWFPBAK-UHFFFAOYSA-N 336.178 4.399 0 40 EIAB Cc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1F 15610945 SDIIGLPFBKDCGV-KRWDZBQOSA-N 325.387 4.138 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1C 15670754 RLFLZARTKWBFFW-UHFFFAOYSA-N 341.798 4.188 0 40 EIAB Cc1ccc(-n2ncc3c(N4CCC[C@H](C)C4)ncnc32)cc1Cl 17120860 IFWBVMSZFZLUAG-LBPRGKRZSA-N 341.846 4.014 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 20238439 FTYGWORSEVBQQI-OAHLLOKOSA-N 331.506 4.384 0 40 EIAB CCOc1cccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c1 20461348 HJOOHTCGVIKHFW-UHFFFAOYSA-N 338.451 4.006 0 40 EIAB CCN(C(=O)[C@@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1 23042169 YXDZGZZPXJQPJL-CYBMUJFWSA-N 329.252 4.233 0 40 EIAB CCCCC[C@H](C)NC(=O)c1ccccc1SCc1noc(C)n1 24431124 FPGWOBRSYBFVAD-ZDUSSCGKSA-N 347.484 4.369 0 40 EIAB CCOc1ccccc1NC(=O)c1ccc(OCc2ccncc2)cc1 24443026 CUYIMQCEEQVJAQ-UHFFFAOYSA-N 348.402 4.312 0 40 EIAB CC(C)[C@H]1C[C@](CC(=O)N2CCCCC2)(c2ccccc2)CCO1 27666679 AMTFHLUOIPKNMS-TZIWHRDSSA-N 329.484 4.162 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2nsnc2c1 30948378 AKXLPJNIFYGLKK-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB Cc1cc(/C=C/C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1C1CCCCC1 36697200 ZBOZLVMNOFPWJA-STCWAVISSA-N 344.499 4.259 0 40 EIAB FC(F)(F)c1cccc(CSc2cc(N3CCCC3)ncn2)c1 36708505 LUEAJBAIRVQLOL-UHFFFAOYSA-N 339.386 4.388 0 40 EIAB COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)c1 40151750 ROHFMZSGJLCQRA-NSHDSACASA-N 347.440 4.426 0 40 EIAB Clc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc1 40174597 QUGBYSNHWRXPBG-UHFFFAOYSA-N 341.827 4.294 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)O)cc1 40867797 ZBOFZZSJJIAQEQ-CYBMUJFWSA-N 341.407 4.088 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)NCCc1ccc(F)cc1 59291624 RFCOWWVYFJMMRM-UHFFFAOYSA-N 337.847 4.320 0 40 EIAB CC(=O)Nc1ccc(C)cc1NC(=O)c1oc2ccc(F)cc2c1C 65501180 YBPDKEPKASQOSN-UHFFFAOYSA-N 340.354 4.399 0 40 EIAB Cc1ccc(NC(=S)N2CCc3[nH]cnc3[C@@H]2c2ccccc2)cc1 70503691 IITLSZZLGXXNRF-IBGZPJMESA-N 348.475 4.063 0 40 EIAB Cc1ccc(NC(=O)N2CCC2(C)C)cc1NC(=O)N1CCC1(C)C 72305905 FAMCSJCJEJUOAE-UHFFFAOYSA-N 344.459 4.027 0 40 EIAB c1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)cc1 72357707 WKPNGPLWAKDVLD-QFIPXVFZSA-N 329.447 4.405 0 40 EIAB Cc1cnc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)s1 72401515 NJWVKKZFITYJMI-UHFFFAOYSA-N 326.425 4.013 0 40 EIAB O=C(CSc1nccn1C1CC1)c1sccc1Br 77902326 GSIKXLNZOAYNSG-UHFFFAOYSA-N 343.271 4.017 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=S)N1CCCN(C)CC1 89893480 QOJSCZVCAYKIPQ-UHFFFAOYSA-N 333.545 4.268 0 40 EIAB Cc1ccccc1-c1nc(C)c(CNC(=O)NC2CCCC2)s1 96024552 FKOOKIOHSGPRIF-UHFFFAOYSA-N 329.469 4.169 0 40 EIAB C[C@H](SCC(=O)NC1CCOCC1)c1ccc(Cl)cc1Cl 96403752 SIAPBHGOVDZSLM-JTQLQIEISA-N 348.295 4.083 0 40 EIAB S=C1N[C@@H]2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H](c2ccccc2)N1 96931137 GKAOLMKVJJNZGU-YLQYJQFQSA-N 334.488 4.458 0 40 EIAB O=c1c2c3c(c(-c4ccccc4)nc2[nH]n1-c1ccccc1)CCCC3 170622714 MPNSOGOBKZRFSC-UHFFFAOYSA-N 341.414 4.260 0 40 EIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 224222938 RPRDEXMFYCPLRS-RTBURBONSA-N 349.459 4.469 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)NC3CCCCCC3)o2)c1 224842993 IHJPLSONWKKZRF-UHFFFAOYSA-N 342.439 4.122 0 40 EIAB Cc1ccccc1COc1ccc(-c2nn3c(C)nnc3s2)cc1 226298504 OFWGCWBGMLITMD-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB CC(C)C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C 575473063 BXXYUKPTPRBHNO-GFCCVEGCSA-N 327.424 4.354 0 40 EIAB Cc1cc(Cl)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)cc1C 630328640 QSHONIVLRUBSSS-LSDHHAIUSA-N 343.810 4.397 0 40 EIAB CC(C)(C)n1ncnc1CNCc1ccc2oc3ccccc3c2c1 1333814282 NUCJKEFETGZRQB-UHFFFAOYSA-N 334.423 4.222 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 72439 OXPITJDYUFCZRN-UHFFFAOYSA-N 333.387 4.198 0 40 EIAB Cc1cccc(NC(=O)/C=C/c2c(C(F)(F)F)nn(C)c2Cl)c1 160039 RWXMOHOTGKIBCM-VOTSOKGWSA-N 343.736 4.053 0 40 EIAB COc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1OC 417877 QEXGBHLNUNUJHT-UHFFFAOYSA-N 337.423 4.373 0 40 EIAB Cc1c(C(=O)NC2CCCCC2)sc2nc(-c3ccccc3)cn12 429797 AJFCVSISRNOWTD-UHFFFAOYSA-N 339.464 4.434 0 40 EIAB CC[C@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 489236 ASXWUIINODHLRO-LBPRGKRZSA-N 341.407 4.003 0 40 EIAB biogenic Cc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 1015230 TXCWHOJGGHVUDW-UHFFFAOYSA-N 333.313 4.002 0 40 EIAB CCCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1817885 PRFDGICCQOULOE-FCHUYYIVSA-N 339.479 4.388 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)Oc1ccc(F)cc1 3117012 BEAXSVVZMVLRIC-UHFFFAOYSA-N 349.230 4.455 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 3620158 RNLJOUFALOEUQM-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 5359880 USGKSIJYOHEDEV-GCLMUHHRSA-N 330.468 4.261 0 40 EIAB biogenic,in-vitro Cc1ccc(OCc2nn3c(-c4ccccc4C)nnc3s2)cc1 5561275 TWQVOMLPIYRKLW-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cncc(Br)c1 5749565 JVVZJUISHFTICD-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 5869153 RFRSMMFOEFFNJO-XUXNNNHQSA-N 333.859 4.192 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 6433019 OQOKIWGUEZPTLU-UHFFFAOYSA-N 331.843 4.333 0 40 EIAB CCc1ccc2occ(CC(=O)Nc3cc(OC)ccc3OC)c2c1 6809758 LDYKLXSMSHQHFP-UHFFFAOYSA-N 339.391 4.194 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2 6933280 SGYSYPGOJRXFTO-UHFFFAOYSA-N 343.448 4.156 0 40 EIAB Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1Cl 7253382 AUPCGIKOVJDHGZ-UHFFFAOYSA-N 335.860 4.094 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2)cc1 7267336 BKCGPRHWXSXFIX-CYBMUJFWSA-N 344.842 4.002 0 40 EIAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccc(F)c1 8040488 CJWKDBTVJNEKTG-UHFFFAOYSA-N 330.362 4.251 0 40 EIAB COc1cc(NC(=O)/C=C/c2cccc(C)c2)c(OC)cc1Cl 8313616 RMZPJZYGBAVETE-BQYQJAHWSA-N 331.799 4.318 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCCCCCC1 8338881 QEXMTYHWYYXLGC-ZDUSSCGKSA-N 328.378 4.299 0 40 EIAB CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(Cl)cc1 9117982 UFIZTWJIBVCPNH-LBPRGKRZSA-N 336.892 4.190 0 40 EIAB O=C(CSc1nnc(Cc2ccccc2)o1)c1c[nH]c2ccccc12 9365000 SUTYVSUWMSDXIQ-UHFFFAOYSA-N 349.415 4.117 0 40 EIAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@@H]1c1ccc(F)cc1 9698461 OMSBHLUKQSIXLU-QGZVFWFLSA-N 338.386 4.065 0 40 EIAB Cc1ccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 10110531 RDMZMTGNLFCPCM-UHFFFAOYSA-N 339.460 4.059 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 12695723 KPWPBEVCOYUSSI-LBPRGKRZSA-N 343.370 4.053 0 40 EIAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F 12734413 KIAVRRGAFMLSEB-GFCCVEGCSA-N 326.396 4.440 0 40 EIAB CC(CNC(=O)/C=C/c1ccco1)(c1ccccc1)c1ccccc1 12771728 PXHCVWMMDQCBKC-CCEZHUSRSA-N 331.415 4.415 0 40 EIAB CC(C)(C)c1csc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 12994112 YGNZKYPEIDQKAM-LBPRGKRZSA-N 336.844 4.036 0 40 EIAB CCOc1ccccc1CCCNC(=O)CSc1ccc(C)cc1 13647204 BYHLYRJTBSXREM-UHFFFAOYSA-N 343.492 4.235 0 40 EIAB Cc1cc(S[C@H](C)C(=O)N(C)c2ccccc2)nc(C(C)C)n1 16454200 NOCPDGCBGRBSHS-CQSZACIVSA-N 329.469 4.052 0 40 EIAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 17135448 WHRZLYUXBTUNSX-UHFFFAOYSA-N 329.407 4.484 0 40 EIAB CC(C)Sc1nc(S)c2c3c(sc2n1)COC(C)(C)C3 20100284 BOSLQRKWRMPJGN-UHFFFAOYSA-N 326.512 4.332 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C 20460005 AIKUAUONLYKXGC-UHFFFAOYSA-N 338.451 4.015 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccccc2)o1 21410179 VILCLAIQKDEZRV-INIZCTEOSA-N 334.419 4.460 0 40 EIAB C[C@H](OC(=O)c1ccc(F)c(F)c1)C(=O)C12CC3CC(CC(C3)C1)C2 22431587 LVEBLYMKBNIXMZ-ABROSTTOSA-N 348.389 4.296 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1OC 22537973 KBFUGYVJFMGBME-OAHLLOKOSA-N 327.424 4.120 0 40 EIAB c1ccc(C(c2ccccc2)N2CCN(c3nccs3)CC2)cc1 23844566 SYGAAFTXERJQSK-UHFFFAOYSA-N 335.476 4.055 0 40 EIAB Cc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=NCCCS1 27027147 CPGRMPKEVMIZEG-UHFFFAOYSA-N 342.439 4.316 0 40 EIAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c(Cl)c1 29482877 RIOXYVADUZZYNZ-GOSISDBHSA-N 328.843 4.206 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCc4ccccc4C3)s2)o1 31204972 YHBJEHPZKFLJNF-UHFFFAOYSA-N 338.432 4.218 0 40 EIAB O=C(Cc1noc2ccccc12)N[C@H](c1cccs1)C1CCCC1 32397047 JLHKPNIXNCGTEI-IBGZPJMESA-N 340.448 4.480 0 40 EIAB COc1ccccc1NCc1n[nH]c(=S)n1-c1c(C)cccc1C 40163749 OWXOGTCMROVTET-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 61013506 AXZNNIBOCDKMRL-CZUORRHYSA-N 342.464 4.291 0 40 EIAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(C)o3)cc2)n1 71793388 LJPXOBNIJYPAJA-UHFFFAOYSA-N 339.420 4.398 0 40 EIAB CCCCCNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 72302625 JRTBFUIVSRCCLU-WBVHZDCISA-N 348.487 4.195 0 40 EIAB CCOc1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cc1 75568043 MYYUOGFDWMCUBD-GFCCVEGCSA-N 345.342 4.311 0 40 EIAB Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(Br)cc2)cc1 76082238 GTKSAFUNXMBERJ-DYVFJYSZSA-N 334.257 4.142 0 40 EIAB CC(C)(C)OC(=O)Nc1ccc2cnn(C(=O)OC(C)(C)C)c2c1 94992643 WRGGMGDJWQGFOI-UHFFFAOYSA-N 333.388 4.167 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)c2ccsc2)o1 95944857 IDQAUDYJPYIWOY-CZUORRHYSA-N 348.468 4.138 0 40 EIAB CC1(C)C(=O)C(C)(C)c2cc(Br)c(Br)cc21 96171779 NNAPAJVJSADGRF-UHFFFAOYSA-N 346.062 4.350 0 40 EIAB Cc1sc(Cl)nc1C(=O)NCCSc1ccc(Cl)cc1 96232429 QUULZKQNUDDKRI-UHFFFAOYSA-N 347.292 4.280 0 40 EIAB CCOc1cc(Cl)ccc1NC1CCN(C(=O)c2ccoc2)CC1 97037964 YKRKYHDDWRHOOX-UHFFFAOYSA-N 348.830 4.048 0 40 EIAB O=C(CSc1ccc(Cl)cc1)Nc1cc(=O)oc2ccccc12 101607643 PAFYKSPMZAKJJR-UHFFFAOYSA-N 345.807 4.177 0 40 EIAB COc1cccc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c1OC 102730134 TTXVJOCFLPDBGL-MRXNPFEDSA-N 340.379 4.214 0 40 EIAB COc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 170569369 ATZWVOYRVZWEDT-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB CCC[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccsc1 191196424 REAFGVAHDXZSMO-MRXNPFEDSA-N 332.469 4.077 0 40 EIAB COc1cccc(Cc2csc(Nc3ccc4c(c3)OCO4)n2)c1 211138450 GLZAWKINKSWYMG-UHFFFAOYSA-N 340.404 4.215 0 40 EIAB Cc1ccc(-c2cc(C(N)=O)c3cc(Br)ccc3n2)cc1 216940181 JJUSZKXZKFKPRC-UHFFFAOYSA-N 341.208 4.072 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)COc1ccccc1C 219594713 MPCONXLBHRDYPC-IEBWSBKVSA-N 341.451 4.045 0 40 EIAB COc1ccc(C)cc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225118937 RWLOLRRYYYSVBD-MRXNPFEDSA-N 336.840 4.445 0 40 EIAB Cc1cccc(CNC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 225912618 IIQCEYLBUIEWJB-UHFFFAOYSA-N 346.434 4.075 0 40 EIAB CN(C)c1cccc(C(=O)NCc2ccc(-c3cccs3)o2)c1 585367021 DWKRRVJSCCOAQG-UHFFFAOYSA-N 326.421 4.004 0 40 EIAB CCOC(=O)c1nc2ccc(Br)cc2c(Cl)c1Cl 685937415 PCIVCIVJFBYVFC-UHFFFAOYSA-N 349.011 4.481 0 40 EIAB CC[C@H](C)C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889697817 FKFAODSFAWXPEP-LBPRGKRZSA-N 331.847 4.035 0 40 EIAB Cc1cc(C)c2nc(SCC(=O)Nc3cc(C)on3)cc(C)c2c1 416377 LTPYRGBZIUIASV-UHFFFAOYSA-N 341.436 4.187 0 40 EIAB Cc1cccc(C)c1NC(=O)CCC(=O)OCc1ccc(Cl)cc1 566899 FTOVSLCCYBNTOU-UHFFFAOYSA-N 345.826 4.419 0 40 EIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2F)c1 569300 ZBSSTFDIVKIMRL-UHFFFAOYSA-N 334.778 4.470 0 40 EIAB O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(Cl)c1 3132965 WMOGAFSFMTWERV-UHFFFAOYSA-N 335.794 4.148 0 40 EIAB CCCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 4093692 JPMQVNAXVMBEER-UHFFFAOYSA-N 328.803 4.121 0 40 EIAB Clc1cnc(N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1 5937395 BIWUYKYOINRVBO-QPJJXVBHSA-N 348.277 4.224 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 6235742 KTGJNWOMPFEZSO-LLVKDONJSA-N 343.448 4.220 0 40 EIAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc2ccccc2c1 6345427 RWUQLMFHJBNDFA-UHFFFAOYSA-N 325.751 4.444 0 40 EIAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 6627419 HOXOJLMKNRNXPB-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(C)c3C)o2)cc1 7070220 WLOKILCDTCMFHB-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CC[C@H](C)c1ccc(N[C@@H](C)C(=O)NCc2ccc(OC)cc2)cc1 7241164 OOVWRPYRUDHUNE-HOTGVXAUSA-N 340.467 4.326 0 40 EIAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 10035142 JVMAFVBKKVJHHD-SECBINFHSA-N 333.363 4.457 0 40 EIAB CCOC(=O)c1sc(Nc2cccc(C)c2)nc1C(F)(F)F 12396973 UIBOEOANNFQHJJ-UHFFFAOYSA-N 330.331 4.391 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)c1ccccc1 12754451 RJPKNKUZQGHRME-UHFFFAOYSA-N 333.435 4.085 0 40 EIAB CCCCc1c(C)n(Cc2ccccc2)c2nc3ccccc3n2c1=O 14165366 AFGWZDWDUNPOFF-UHFFFAOYSA-N 345.446 4.349 0 40 EIAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)c(O)n2)c1 16777141 LLIUHFIXMHKSPW-UHFFFAOYSA-N 343.839 4.498 0 40 EIAB Fc1ccccc1Cc1nnc2sc(/C=C/c3ccccc3)nn12 19910107 UFWPZSUKEKTPKP-ZHACJKMWSA-N 336.395 4.086 0 40 EIAB CCCNc1nnc(Sc2ncnc3sc4c(c23)CCC4)s1 23619892 HROWCSRTFFSWTL-UHFFFAOYSA-N 349.510 4.005 0 40 EIAB Cc1ccc(C(=O)COC(=O)c2csc(-c3ccsc3)n2)s1 24711906 XKDCOBLQTNNRLS-UHFFFAOYSA-N 349.458 4.281 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220967 UOLZQYUFLNWUFH-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB CCOc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 28225370 IOSAXJKQFTZTJT-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CCN(CC)C(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2)c1 32976438 QVZXIRMDKUHWJX-UHFFFAOYSA-N 338.451 4.085 0 40 EIAB Clc1cccc(-c2nnc3sc(-c4cccnc4)nn23)c1Cl 36366685 HEZFHKSZQXWXKG-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 38771615 PIVWVZNRESZHFU-SFHVURJKSA-N 325.452 4.128 0 40 EIAB Cc1ccc(-c2nn3c(-n4nc(C)cc4C)cc(C)nc3c2C)cc1 40216905 MPWDEJWCXFOFBY-UHFFFAOYSA-N 331.423 4.124 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44877176 QXRSMEXAGMHOIU-SFHVURJKSA-N 336.479 4.157 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSc1ccccc1 44884210 IZEBRAATNOAGQZ-INIZCTEOSA-N 349.883 4.406 0 40 EIAB CN(Cc1cc(Br)cs1)C(=O)c1cccc(Cl)c1 48069383 DAYKKQMGQBHVNU-UHFFFAOYSA-N 344.661 4.436 0 40 EIAB CCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OCC 48252621 IEPCTAASJNVZPT-HRCADAONSA-N 348.487 4.074 0 40 EIAB CC(C)OCc1cccc(CNC(=O)c2ccccc2OC(F)F)c1 48373969 CNHKEUDUCZWDAK-UHFFFAOYSA-N 349.377 4.143 0 40 EIAB O=C(CCN1CC[C@H](c2ccccc2)C1)Nc1ccccc1Cl 58394250 SIJOSOHXFQZGOU-INIZCTEOSA-N 328.843 4.158 0 40 EIAB CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2ccncc2)cc1 71803471 FSBIITSHLFRMGJ-CQSZACIVSA-N 329.469 4.096 0 40 EIAB O=C(NCCN1CCCCCC1)c1ccc(-c2ccccc2Cl)o1 71804296 VQWFAVCOCPFOJW-UHFFFAOYSA-N 346.858 4.206 0 40 EIAB CCc1ccc2nc(NC(=O)N(C)c3c(C)noc3C)sc2c1 72314061 AMBRDDSARMHIQH-UHFFFAOYSA-N 330.413 4.132 0 40 EIAB COCc1nn2c(-c3ccco3)ccnc2c1-c1cccc(Cl)c1 72370112 CSYVPIJJTKJXEC-UHFFFAOYSA-N 339.782 4.456 0 40 EIAB CC(=O)Nc1cccc(NC(=O)Cc2cn(C(C)C)c3ccccc23)c1 72405067 NQQGBKUKZKQJSZ-UHFFFAOYSA-N 349.434 4.362 0 40 EIAB CSc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 73922943 MELLFBROQCXVIL-DLENHJPASA-N 339.460 4.022 0 40 EIAB C[C@H](Nc1ncnc2ccc(F)cc12)c1cccc(-n2cccn2)c1 75062869 IWFPWUUNGKBWKN-ZDUSSCGKSA-N 333.370 4.128 0 40 EIAB Cc1nnc(-c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)o1 76059476 IJXVQMWTHHBJGG-UHFFFAOYSA-N 347.296 4.316 0 40 EIAB C[C@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccs1 78089340 VBYOVZBABQIPBM-XHDPSFHLSA-N 341.436 4.218 0 40 EIAB COc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1OC 78401296 OCQLJIZBUHJVSA-UHFFFAOYSA-N 326.783 4.481 0 40 EIAB C[C@@H](c1ccco1)N(C)C(=O)c1ccc(N(C)c2ccccc2)nc1 78832361 CDZAQFCYXZJFTC-HNNXBMFYSA-N 335.407 4.276 0 40 EIAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCc1cccnc1 79070831 YDTJRAPKJLLDCT-GFCCVEGCSA-N 349.261 4.467 0 40 EIAB Cc1cnc([C@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 95423626 NBFIHKAHJDGCBP-OLZOCXBDSA-N 344.484 4.147 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)N1CCC(C(F)(F)F)CC1 96011239 ZEAQEYCEIRRFPP-UHFFFAOYSA-N 338.329 4.065 0 40 EIAB COc1ccc(-c2nc3c4cc(-c5ccccc5)oc4ncn3n2)cc1 96194527 XHRZJKIKOBATPT-UHFFFAOYSA-N 342.358 4.213 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2cnco2)cc1 96416832 HSZBTKPFQOBYQL-GOSISDBHSA-N 335.407 4.350 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1 97098818 DUDVHJXUBHFRCL-KZULUSFZSA-N 341.386 4.009 0 40 EIAB CCN(CC)Cc1ccccc1CNc1ncnc2ccc(F)cc12 97497495 XRMXXOKPSJPKGB-UHFFFAOYSA-N 338.430 4.223 0 40 EIAB COc1ccc(-c2c(C)nn3c(O)c(CCC(C)C)c(C)nc23)cc1 102722481 JQZCTUDWPIGQBD-UHFFFAOYSA-N 339.439 4.316 0 40 EIAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 214328898 ATARKFASFDKKMU-MHWRWJLKSA-N 343.379 4.071 0 40 EIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccccc1 219040009 VQAXRFSLONCKFD-KRWDZBQOSA-N 333.431 4.356 0 40 EIAB COC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222658785 RAROPXRINNFADA-UHFFFAOYSA-N 333.387 4.198 0 40 EIAB C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223200918 SSTCBPFGPUZYIV-ZDUSSCGKSA-N 349.883 4.009 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227466 DHVXPTLCKCPPHI-LIRRHRJNSA-N 341.426 4.349 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223443875 ZQAQKFKEELMJKG-DLBZAZTESA-N 341.451 4.265 0 40 EIAB COc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1Cl 223831591 QLFSFACAVNGURE-UHFFFAOYSA-N 347.842 4.281 0 40 EIAB Cc1nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2n1C 225894042 KUGQSPSITQGJEP-UHFFFAOYSA-N 333.313 4.153 0 40 EIAB c1ccc2cc(OCc3nnc([C@@H]4CC45CCOCC5)o3)ccc2c1 521393816 PZZWRCDOQZVBNN-KRWDZBQOSA-N 336.391 4.086 0 40 EIAB Cc1nc(N[C@H](C)c2cnccn2)c2c3c(sc2n1)C[C@@H](C)CC3 649411968 MOIUCTWAJPYYNF-WDEREUQCSA-N 339.468 4.088 0 40 EIAB CC(C)=Cc1c(C)cccc1C(=O)N[C@]1(C(=O)O)CCc2ccccc21 685939945 BCBCPGVNKUOUPQ-JOCHJYFZSA-N 349.430 4.074 0 40 EIAB Cc1ccccc1N[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 241445 PICGSDCTGOFIBY-OAQYLSRUSA-N 344.414 4.046 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 257594 DKVRZALEOISWTA-INIZCTEOSA-N 334.803 4.146 0 40 EIAB CC(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 2629199 UYSJDTUSIDMYTF-UHFFFAOYSA-N 331.799 4.177 0 40 EIAB Clc1ccc(-n2cc(-c3ccccc3)c3c2ncn2ncnc32)cc1 3852031 DVFSAWBXDIXUKR-UHFFFAOYSA-N 345.793 4.389 0 40 EIAB biogenic COc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 6259393 SHVLQLXRFFPHIL-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cc2ccccc2o1 7613851 QLANSEDDXIXIQR-UHFFFAOYSA-N 338.344 4.024 0 40 EIAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)N2C(=N1)Nc1ccccc12 8741476 DDJLOVIJRNKTOR-LJQANCHMSA-N 347.418 4.255 0 40 EIAB CCc1ccc(CCC(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 10332955 YTVSQGZIVBRVPS-UHFFFAOYSA-N 345.826 4.260 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)NCCC)c2ccccc12 11614148 RBYZBVUBXYWYEZ-UHFFFAOYSA-N 335.469 4.097 0 40 EIAB Cc1ccc(C2(O)CCN(Cc3ccc4ncccc4c3)CC2)cc1 12292784 KYPONSNULWYLPQ-UHFFFAOYSA-N 332.447 4.027 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2[nH]1 12539957 UCIWAXVXOLXFOW-MRXNPFEDSA-N 344.365 4.360 0 40 EIAB Cc1cccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)c1 12756405 BUYCIMMQGQALPF-HUUCEWRRSA-N 343.496 4.182 0 40 EIAB CC1CCN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 12939645 ZIEFCASCJLUBMD-UHFFFAOYSA-N 349.887 4.281 0 40 EIAB CCC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 12971757 JQBBARGFUFZXOO-GOSISDBHSA-N 336.439 4.283 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)Cc2cnn(CC)c2C)cc1 13569103 FKPRROWBCQTXLZ-UHFFFAOYSA-N 348.494 4.371 0 40 EIAB O=C(Cc1ccccc1)NCc1ccc(-c2nc3ccccc3o2)cc1 14257931 KPFIDKGRWIWPQA-UHFFFAOYSA-N 342.398 4.354 0 40 EIAB Fc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 17155142 DPYGCEGAEGWSDY-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB COc1ccc(C[C@H](NCc2ccccn2)c2ccc(OC)cc2)cc1 17317779 KUKJALMYICAZFF-QFIPXVFZSA-N 348.446 4.172 0 40 EIAB Cc1ccc(NC(=O)c2cc(F)ccc2F)c(Br)c1 19505698 PGGGQQBTWSYDFP-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB CCOc1ccccc1[C@H]1SCC(=O)N1c1ccc(CC)cc1 19927358 MOPGNQDVTLFLSP-LJQANCHMSA-N 327.449 4.426 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1 20042441 JLOSDZDORKFSSU-QGZVFWFLSA-N 341.451 4.430 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)n2)cc1 21175491 AGXMOZWHSMXTBJ-UHFFFAOYSA-N 329.450 4.444 0 40 EIAB Cc1nc(/C=C/C(=O)N2CC[C@@H](C)Sc3ccccc32)cs1 23493018 ZKHUWNXXQGYDMZ-ABZNLYFFSA-N 330.478 4.382 0 40 EIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)C1=Cc2ccccc2CC1 24067505 AASJHRKIOABIPF-UHFFFAOYSA-N 337.803 4.208 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)n1 32796313 QWWFBBKQZJYMEI-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccc(F)c(F)c1 32830258 PBTZAINHDMIUQG-JTQLQIEISA-N 346.308 4.250 0 40 EIAB CCCc1nnc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)s1 35672315 SBBKXPCWNAOXEI-UHFFFAOYSA-N 342.424 4.015 0 40 EIAB C[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2S1 36619855 UVXFHAASZLWFTH-OAHLLOKOSA-N 349.459 4.403 0 40 EIAB COc1ccc([C@@H](CC(=O)Nc2cccc(OC)c2)C2CC2)cc1 40643796 QJOJSDZFAZYTEZ-IBGZPJMESA-N 325.408 4.226 0 40 EIAB COc1ccc2c(CC(=O)N3CCC[C@H]3c3ccsc3)coc2c1 46912000 BLPWEBVYIQSQTG-KRWDZBQOSA-N 341.432 4.409 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58420873 BLUAJDGSGQHTPR-LLVKDONJSA-N 344.465 4.177 0 40 EIAB COCc1nc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cs1 63981179 JIBJSUQZHJCXGR-UHFFFAOYSA-N 345.449 4.029 0 40 EIAB C[C@@H](C1CC1)N(C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 64140251 RSFJPGCTBXODFE-VIFPVBQESA-N 326.227 4.274 0 40 EIAB COCc1c(C(=O)N(CC(F)(F)F)C2CC2)sc2ccccc12 69665455 PYPSGFZTVLOXCA-UHFFFAOYSA-N 343.370 4.215 0 40 EIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1OC 71280800 OKSYZKRDHXPKGR-CQSZACIVSA-N 341.411 4.139 0 40 EIAB CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCCC2)s1 71326526 VMMVXFDZBCDQEW-UHFFFAOYSA-N 329.469 4.430 0 40 EIAB COc1ccc(-c2cc(-c3c(F)cccc3Cl)nc(N)n2)cc1 71977394 PKMGTBGOXRMZAX-UHFFFAOYSA-N 329.762 4.194 0 40 EIAB C[C@@H](NCc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 73984416 BUYZEEOZKOGDTF-SNVBAGLBSA-N 327.350 4.237 0 40 EIAB O=C(CCc1ccccc1)N1CCC(CSc2ccccn2)CC1 85557519 RKGOTPZWTRYAGC-UHFFFAOYSA-N 340.492 4.045 0 40 EIAB C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 86339913 JIQBDEAMHAEEMV-CZUORRHYSA-N 326.396 4.038 0 40 EIAB CCOc1ccc(NC(=O)Nc2c(C)n[nH]c2C)c(C(F)(F)F)c1 89865873 YZMJDSOPZAXCQE-UHFFFAOYSA-N 342.321 4.088 0 40 EIAB CC(C)c1nc(C[S@](=O)c2ncc(C(C)(C)C)s2)cs1 95413814 XZTATZKPUCUHDO-HXUWFJFHSA-N 328.528 4.328 0 40 EIAB COc1ccc([C@H]2SCC(O)=Nc3c2cnn3C(C)C)c(F)c1 95473421 NZHYNPNJHMXOOD-OAHLLOKOSA-N 335.404 4.036 0 40 EIAB C/C(=C\C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1)C1CC1 96298002 QDLAHLLNOJKQNR-PKNBQFBNSA-N 330.428 4.476 0 40 EIAB O=C1c2ccccc2[C@@H]2C[C@H](Oc3ccccc3)N1N2c1ccccc1 96318813 KCCOAQWYRISVFM-SFTDATJTSA-N 342.398 4.414 0 40 EIAB O=C(CC1CCSCC1)N1CCC(c2ccc(F)c(F)c2)CC1 96474942 LAXZHUAWGIUHSD-UHFFFAOYSA-N 339.451 4.204 0 40 EIAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)NN(c1ccccc1)c1ccccc1 102226464 SWTQMPOEJNNTNM-TXPKVOOTSA-N 337.492 4.392 0 40 EIAB Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)s1 107728374 UMZTVAXUZKMHBU-IEBWSBKVSA-N 346.471 4.041 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1C 113970844 HSIJICYAKXBCCS-SFHVURJKSA-N 331.843 4.431 0 40 EIAB Cc1cnc([C@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 120919738 QNCWZWJUYKSEOA-FZKQIMNGSA-N 344.480 4.415 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(C)c(C)c1 222815414 ZPFHWIFZWDFRAT-IBGZPJMESA-N 325.452 4.430 0 40 EIAB CCCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225894372 OUVHCKBDKCNJOL-IBGZPJMESA-N 336.476 4.349 0 40 EIAB CC(=O)Nc1cc(NC(=O)N(C)[C@@H](C)C2CCCCC2)ccc1F 282590664 XZOWHXUVQDZZOZ-LBPRGKRZSA-N 335.423 4.217 0 40 EIAB Cc1nsc(C)c1-c1noc(-c2ccc3c(c2O)CCCC3)n1 333064057 NQOKFYMXDHECRH-UHFFFAOYSA-N 327.409 4.061 0 40 EIAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCCC(C)C 575410839 GACAABTXFLOMNW-UHFFFAOYSA-N 338.407 4.436 0 40 EIAB CCCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 599523416 PULIEEYESJAYOP-UHFFFAOYSA-N 347.418 4.074 0 40 EIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H](COc2ccncc2)C1 1775971031 LXVHGLPTUFFEKS-AWEZNQCLSA-N 345.830 4.058 0 40 EIAB COc1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1 113565 YKSWAXOAGPESSO-GDNBJRDFSA-N 332.197 4.070 0 40 EIAB C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1 483919 KFAGUWAWGZOSNX-ZDUSSCGKSA-N 333.815 4.384 0 40 EIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1OC 568990 NMASTJRKAFOLMK-ZDUSSCGKSA-N 342.464 4.336 0 40 EIAB CCCCC(=O)c1cc(Br)c(O)c(Br)c1 1712516 SQZFPBSQOUVUJT-UHFFFAOYSA-N 336.023 4.290 0 40 EIAB CCSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 3466583 VXDMPRZXQLNQCL-UHFFFAOYSA-N 330.478 4.235 0 40 EIAB Cc1nc2ccc3nc(NC(=O)Cc4ccccc4)sc3c2s1 4031620 RBLVHNKHBHCGML-UHFFFAOYSA-N 339.445 4.396 0 40 EIAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc2ccccc2c1 4348621 RCMZVEUBLHDDJK-UHFFFAOYSA-N 348.383 4.431 0 40 EIAB CCC(CC)C(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1 4695009 GHNFAEROYAEDAR-DHZHZOJOSA-N 331.441 4.092 0 40 EIAB Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1Cl 4852730 DDTBWYSVKSKVJI-YJBOKZPZSA-N 328.799 4.418 0 40 EIAB O=C(Nc1ccnc(-c2cccnc2)n1)c1cccc(Cl)c1Cl 5756656 DHSKQXVQBJNEDH-UHFFFAOYSA-N 345.189 4.098 0 40 EIAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccnc1 5948939 BQAWSNYPRJSWIF-UHFFFAOYSA-N 342.354 4.107 0 40 EIAB biogenic CCCN(Cc1ccccc1)C(=S)Nc1ccc2ncncc2c1 6138632 QEGYJSYTGPOWJF-UHFFFAOYSA-N 336.464 4.239 0 40 EIAB Cc1cc(SCc2nc3ccsc3c(=O)[nH]2)nc2ccccc12 6315048 CJDKHUYAFHAQLY-UHFFFAOYSA-N 339.445 4.134 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](NCc2ccncc2)c2ccccc2)c1 6831175 AGIIBNLAXJTNOW-OAQYLSRUSA-N 345.446 4.168 0 40 EIAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccs1 8391503 ZBTJAGHQBIBCHQ-VIFPVBQESA-N 330.236 4.311 0 40 EIAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccs1 9690701 QIVPTSOTFJNAHB-SNVBAGLBSA-N 334.491 4.353 0 40 EIAB O=C(CN1CCC[C@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 10339721 TXWWDYBOLGTKRI-RTWAWAEBSA-N 334.463 4.017 0 40 EIAB Cc1cc(C(=O)Nc2cc(Cl)ccc2F)c2cnn(C(C)C)c2n1 10965685 VLKBDTYFHSNOBM-UHFFFAOYSA-N 346.793 4.365 0 40 EIAB CC(C)c1nc(Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1 11906959 DOZWBSWCWYBTGI-UHFFFAOYSA-N 348.450 4.333 0 40 EIAB O=C([C@@H](Sc1nccn1C1CC1)c1ccccc1)N1CCCCC1 12646955 ZFLVKIDXQRIAPC-KRWDZBQOSA-N 341.480 4.064 0 40 EIAB Cc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1C 12668399 TUXFIRCRIFBQOB-UHFFFAOYSA-N 348.450 4.128 0 40 EIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1F 14141352 GEFMTCFIHCWOKO-UHFFFAOYSA-N 330.359 4.270 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1ccc(Br)cc1 14663958 GBVCVDLVROOFOJ-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1Cl 15361020 ATYZVPZYEWAGCX-SNVBAGLBSA-N 325.742 4.333 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 23109702 DJCOJLNEJGREQI-OAQYLSRUSA-N 337.419 4.094 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)Cc1nnc(-c2ccco2)o1 23990016 XJUYERCZQYPYSA-LLVKDONJSA-N 340.408 4.132 0 40 EIAB COC(=O)c1occc1CSc1nccn1-c1ccc(C)cc1C 25760916 JHKZRVFFTPPLJV-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB Cc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=NCCS1 27027313 RBIJBQKNHXXDGB-UHFFFAOYSA-N 344.867 4.441 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCCCC2)o1 27979900 IOIXBEHCNBIPOF-UHFFFAOYSA-N 341.436 4.128 0 40 EIAB CCOCCCNC(=O)c1sc2cccc(Cl)c2c1Cl 28276547 BNMFSRPJNWBMKT-UHFFFAOYSA-N 332.252 4.365 0 40 EIAB CC(C)OC(=O)C[C@@H](NC(=O)C1CCCC1)c1ccccc1Cl 29026263 PTRGWJGNEBMRHY-MRXNPFEDSA-N 337.847 4.029 0 40 EIAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)c1ccccc1C 32863049 VJQZPTABELPTFB-CVEARBPZSA-N 326.440 4.433 0 40 EIAB O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 35314747 GDBVKQINDGHWPL-UHFFFAOYSA-N 344.361 4.092 0 40 EIAB O=C(Nc1cccnc1Oc1ccccc1)c1ccc(F)cc1F 36759561 SNIMAHAOEFWWFC-UHFFFAOYSA-N 326.302 4.404 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(OC)cc1 38755992 QYJLMKJYUVGCNZ-APWZRJJASA-N 341.451 4.347 0 40 EIAB COc1ccc2c(ccn2CC(=O)Nc2cccc(SC)c2)c1 40286948 VSADHPVHFJZHID-UHFFFAOYSA-N 326.421 4.011 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(Cl)cc1 44885578 UIPYZCSNCRWMOA-QGZVFWFLSA-N 331.843 4.464 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 48287881 AJNWVANEWDYGDZ-ABAIWWIYSA-N 326.371 4.296 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)n1cccn1 48355440 CXCUEWCLUQAFLE-MRXNPFEDSA-N 346.217 4.418 0 40 EIAB CSc1ccc2cc3c(nc2c1)OCCN(Cc1ccccc1)C3 57718670 HBKQYEHCAGSCHO-UHFFFAOYSA-N 336.460 4.351 0 40 EIAB COc1cccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 57848825 NRWQQLJOLLERBU-OAHLLOKOSA-N 336.435 4.188 0 40 EIAB COc1cc2ncc3c(-c4ccc(C)c(C)c4)n[nH]c3c2cc1OC 67172541 RHGQVRRZSPCHJT-UHFFFAOYSA-N 333.391 4.412 0 40 EIAB O=C([C@H]1CC=CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 69418585 NCSIIBSYJQAYKE-IRXDYDNUSA-N 337.423 4.147 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2F)c(OC)c1 71760624 ILWILXSRKKCQEG-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB CCOC[C@@H]1CCCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 79306207 XDIUHBKNPMYFPL-LSDHHAIUSA-N 336.501 4.391 0 40 EIAB O=C1c2ccccc2N[C@H](/C=C/c2ccco2)N1CCc1ccccc1 84528849 RIKVWEOJLHFJPY-IWGBCORSSA-N 344.414 4.430 0 40 EIAB COc1ccc(Cl)cc1CNC1(c2noc(C3CC3)n2)CCCC1 89457427 JFYMYRYHFNCYIZ-UHFFFAOYSA-N 347.846 4.168 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@@H]1c1cccc(F)c1F 89768138 CSXSIZVRBJYVDK-BMFZPTHFSA-N 349.421 4.066 0 40 EIAB Cc1cc2cc(C(=O)N(C)Cc3ccccc3-n3cccn3)ccc2o1 91552072 OAJMAFUBMQDYMS-UHFFFAOYSA-N 345.402 4.199 0 40 EIAB Cc1cc(C[S@](=O)Cc2ncoc2C(C)C)c2ccccc2n1 92251995 QQZHQBGBFXVEQF-HSZRJFAPSA-N 328.437 4.104 0 40 EIAB COc1ccc(C(=O)[C@H]2CCCN2c2nc3ccccc3s2)cc1 95427467 NPJGJUJDIDHNRJ-MRXNPFEDSA-N 338.432 4.157 0 40 EIAB CC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1Cl 95939242 ZWUJKGYJUWULKV-INIZCTEOSA-N 346.818 4.025 0 40 EIAB O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1F)CN2Cc1ccccc1 95951711 IRZZQHFNRRRFMO-FVTFTPSCSA-N 339.454 4.345 0 40 EIAB Cc1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCCCC2 96223886 BUJMLUYTYXITMR-UHFFFAOYSA-N 327.862 4.083 0 40 EIAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2Cc1nc(C)no1 97141125 ZFQIWUGZORUVTE-KRWDZBQOSA-N 340.471 4.100 0 40 EIAB COc1ccc([C@H]2OC[C@@]3(COC(C)=O)[C@@H](C)[C@H]2C(C)=C[C@H]3C)cc1 100549688 WSCCZHJZVDZUSC-VORIWDROSA-N 344.451 4.164 0 40 EIAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(-n2cccc2)ccc1Cl 101623070 NFXSKTFPTFBFTD-KKUMJFAQSA-N 326.827 4.073 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(OC)cc1 113960158 OYPGXKKVBHOLPP-QZTJIDSGSA-N 345.414 4.259 0 40 EIAB Cc1ccc2[nH]c(-c3ccc(I)c(C)c3)nc2c1 216734455 ZLNVDIGLPOLBGB-UHFFFAOYSA-N 348.187 4.451 0 40 EIAB CCOc1cc(CO)cc(Cl)c1OC(=O)c1cccc(Cl)c1 216781899 DLSGVXOCFJAKQV-UHFFFAOYSA-N 341.190 4.104 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N[C@H]1C[C@@H]2CC[C@@H]1C2 223662602 TVDNGVGJHVCCBW-HFAKWTLXSA-N 327.852 4.017 0 40 EIAB CCc1ccc([C@H](C)NC(=O)CSCc2ccc(OC)cc2)cc1 223754850 IYVFBGSNNWKLEU-HNNXBMFYSA-N 343.492 4.368 0 40 EIAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1C)CC(C)(C)O2 224126551 AMXNXSFBDAQYGC-SFHVURJKSA-N 339.435 4.344 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc(C)c1 224444189 SURRKQSXEXIIHI-SFHVURJKSA-N 347.842 4.001 0 40 EIAB O=C(O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939033 BYQDIJBHCBULHR-UHFFFAOYSA-N 344.164 4.469 0 40 EIAB CC(=O)N(C)CCc1nc(-c2cccc(Cl)c2Cl)cs1 225776506 MEBCDRASEFBWOT-UHFFFAOYSA-N 329.252 4.138 0 40 EIAB CCc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225799168 PEVWAVPYJWBPDT-UHFFFAOYSA-N 339.370 4.009 0 40 EIAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccc(F)cc1 226042412 FEHFABYXCBSSMF-JTQLQIEISA-N 345.757 4.077 0 40 EIAB C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc2c3c(cccc13)CC2 508199754 RJRJXIOUIUBZPI-CQSZACIVSA-N 346.430 4.397 0 40 EIAB O=C(CSCc1ccccc1)NCc1ccc(-c2ccco2)o1 575609532 XDXDJEAYMDWBMV-UHFFFAOYSA-N 327.405 4.089 0 40 EIAB CCOC(=O)c1sc2nc(C)nc(NC3CCCCC3)c2c1C 109422 SJOHPLHIUSPWFK-UHFFFAOYSA-N 333.457 4.229 0 40 EIAB O=C(c1ccc(Cl)cc1Cl)[C@@H]1O[C@@H]1C(Cl)(Cl)Cl 160254 LDPFEPGGLUKXDY-IUCAKERBSA-N 334.413 4.314 0 40 EIAB Cc1ccc([C@]2(CC(=O)N3CCCCC3)CCO[C@@H](C(C)C)C2)cc1 554179 ATVIILYCGCSENE-IFMALSPDSA-N 343.511 4.470 0 40 EIAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 2635975 AJLZIJWYNLJUGS-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB CC(C)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3244285 VXOPCUVGXNGWCX-UHFFFAOYSA-N 337.448 4.484 0 40 EIAB CC(=O)c1cc(Br)ccc1OC(=O)c1cc(C)cc(C)c1 3288565 XWWUZDFBGZQBTF-UHFFFAOYSA-N 347.208 4.488 0 40 EIAB COc1ccccc1CNc1nc(-c2cc(C)n(C)c2C)cs1 3350524 VYHKIGWVACXIMJ-UHFFFAOYSA-N 327.453 4.386 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2ccccc2)cc1 3409788 UIGOCYOZDPRZIP-CQSZACIVSA-N 337.448 4.248 0 40 EIAB C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1 3514584 SAEOMQWLRCOZAQ-CQSZACIVSA-N 335.359 4.131 0 40 EIAB CSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 4303515 NZGXQIAKLVEMPP-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 4543799 NCMZQTLCXHGLOK-XGFOFXRLSA-N 330.468 4.450 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccccc1F 5118069 QIXIHJIKPDFDQT-LBPRGKRZSA-N 325.339 4.044 0 40 EIAB COc1ccc(CN[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 6652396 ZCRBTLZFDSYBPL-GOSISDBHSA-N 341.480 4.156 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1ccc(C)cc1Cl 6790849 MUOCDEMOYUHTHA-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB O=C(NCCC1=CCCCC1)c1cc(C2CC2)nn1-c1ccccc1 8193066 WQVGJQPVXLPIEJ-UHFFFAOYSA-N 335.451 4.370 0 40 EIAB CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1 8269103 KNQDDNAGZBNANJ-SNVBAGLBSA-N 339.511 4.078 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F 10546388 LHAFDSUTFLJTOE-OAHLLOKOSA-N 337.398 4.030 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccccc1F)c1ccccc1Cl 11917256 JMXYKWIAVXMPQD-GOSISDBHSA-N 348.849 4.292 0 40 EIAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2cccnc2)[nH]c2ccccc12 12148257 GXSANLLPDVCQKK-NRFANRHFSA-N 341.414 4.391 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 14001216 SPBOXVIUAWXCRW-BUHFOSPRSA-N 348.446 4.273 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)Nc1cccc(Cl)c1 14244201 ZDEIMOLXCZOLQP-UHFFFAOYSA-N 326.730 4.263 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 14258533 RYUIMMWOUDWZTL-UHFFFAOYSA-N 332.403 4.242 0 40 EIAB CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 14576221 OIGPEHMHFBCKOG-UHFFFAOYSA-N 337.404 4.021 0 40 EIAB CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 14819291 CGKWSLSAYABZTL-SFHVURJKSA-N 340.375 4.019 0 40 EIAB endogenous,in-man CCCOc1ccc(NC(=O)COc2ccccc2)c2cccnc12 15840917 KBBUCFARRDMANT-UHFFFAOYSA-N 336.391 4.041 0 40 EIAB CC(C)c1ccc(C(=O)CSc2nnnn2C2CC2)c(C(C)C)c1 16375510 QEACLKGDLWGPNX-UHFFFAOYSA-N 344.484 4.230 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc(OC)c1 16705948 QIUDBTJDOZTDLO-YEDYPFRDSA-N 327.380 4.072 0 40 EIAB C[C@@H]1c2ccsc2CCN1Cc1cccc(Oc2ncccn2)c1 19498370 GHABZVRLKUVNQR-CQSZACIVSA-N 337.448 4.450 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1Cl 20897366 FPDSJCUGBXZIMN-VIFPVBQESA-N 336.844 4.182 0 40 EIAB O[C@@](COc1ccc(Cl)cc1)(c1ccccc1)c1ccccn1 22115022 CCQMTIAHTUTMBE-IBGZPJMESA-N 325.795 4.050 0 40 EIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)s1 22417982 HVJCUNNNEFODLN-UHFFFAOYSA-N 349.761 4.273 0 40 EIAB CCCc1ccc(-c2nc(NC(=O)C3CCOCC3)sc2C)cc1 23271809 SXLOIWDAIBGQCE-UHFFFAOYSA-N 344.480 4.436 0 40 EIAB Brc1ccc(NCc2nccn2Cc2ccccc2)cc1 26904350 IVDNYUOULVXAHO-UHFFFAOYSA-N 342.240 4.306 0 40 EIAB C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl 31486838 XAJWOADCIGCSAM-LBPRGKRZSA-N 343.789 4.156 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1OC 31819377 MKYALHGYPIDMEB-OAHLLOKOSA-N 349.390 4.013 0 40 EIAB C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 32819601 VSKWUMBRZWDRAM-OAHLLOKOSA-N 345.508 4.238 0 40 EIAB C[C@H]1CCC[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)C1 33184929 QGBMBINMIVZREB-WDEREUQCSA-N 332.391 4.045 0 40 EIAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccccc2F)CC1 39768367 AYJCQVCOFSYDMO-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB COCCCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 40132640 RRQOUVYFWMPIHW-UHFFFAOYSA-N 338.860 4.061 0 40 EIAB C[C@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1cccnc1 44951410 BTXXTURTBNVIJF-NHYWBVRUSA-N 347.871 4.332 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)NC1CCCCCCC1 58018098 IMHRSVXXLVOSCY-UHFFFAOYSA-N 343.471 4.157 0 40 EIAB Cc1ccc2nc(C)c(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2c1 58390682 UYUVUXHOCUNYKZ-MGPUTAFESA-N 340.467 4.177 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 68955329 CTMHMGRTCVZQSZ-QGZVFWFLSA-N 337.463 4.471 0 40 EIAB CC(=O)Nc1ccc(NC(=O)NCc2ccc(C(C)(C)C)cc2)cc1 69570537 VPAUJCYDYYSZHS-UHFFFAOYSA-N 339.439 4.264 0 40 EIAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1csc(-c2ncccn2)n1 69593686 YKXOGASWMZVUFR-LLVKDONJSA-N 346.406 4.071 0 40 EIAB CC(=O)Nc1cc(NC(=O)N(C)C2[C@H](C)CCC[C@H]2C)ccc1C 69699650 OKTBMLZBBRSDEU-ZIAGYGMSSA-N 331.460 4.242 0 40 EIAB O=C(NC[C@H](O)c1cccc2ccccc12)c1cc2ccccc2o1 70635982 CVMVAGPNBXVUHX-SFHVURJKSA-N 331.371 4.049 0 40 EIAB CSc1ccccc1C(=O)NC[C@@H](O)c1cccc2ccccc12 70635990 PKPDWVYXUYBIEO-GOSISDBHSA-N 337.444 4.025 0 40 EIAB CCn1ncc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1C(F)(F)F 71851075 JLYFAYWPRCFGIX-VIFPVBQESA-N 345.390 4.091 0 40 EIAB CCOCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 72297751 NSRNTPRAEFIYBS-INIZCTEOSA-N 342.439 4.165 0 40 EIAB CC(C)C[C@H](CCO)CNC(=O)c1ccccc1Cc1ccccc1 78998301 GPKPYDYAFZQEHP-IBGZPJMESA-N 339.479 4.052 0 40 EIAB c1ccc(-c2csc3ncnc(N4CCC[C@@H]4c4ncc[nH]4)c23)cc1 95467586 SOJWTOOIIQCOOG-OAHLLOKOSA-N 347.447 4.423 0 40 EIAB CCOC(=O)c1cc(Br)cc(SC(F)(F)F)c1 95918283 LTTLQNWLFXOASP-UHFFFAOYSA-N 329.137 4.238 0 40 EIAB Cc1cc(NC(=O)N(C)Cc2c(C)noc2C)ccc1OC(C)C 96435277 DHIZKVGETNDNRY-UHFFFAOYSA-N 331.416 4.051 0 40 EIAB CCC1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 97074665 ZULZFMOXEMVFHW-UHFFFAOYSA-N 343.254 4.017 0 40 EIAB c1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccccc4[C@H]3C2)cc1 100211936 LKOBDBGCQQSYIZ-CTNGQTDRSA-N 327.387 4.324 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2o1)[C@H]1C[C@@H]2CC[C@@H]1C2 103077156 JVPLYRPRJVNTFD-NJVJYBDUSA-N 344.480 4.249 0 40 EIAB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 106707793 JNHWWHUTFZKMQA-YVLHZVERSA-N 340.448 4.187 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1nnc(C2CC2)n1C1CC1 194543664 MWTCUXROCHDMAR-BSNNYGBQSA-N 349.887 4.154 0 40 EIAB CCN(CCCNC(=O)c1ccc(C)cc1Cl)c1ccccc1 225005729 DZZDLTWAIRTSJH-UHFFFAOYSA-N 330.859 4.295 0 40 EIAB CCOc1ccc(CNC(=S)Nc2cccc(OC(C)C)c2)cc1 225431874 SJDGUOXVXSWCBK-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CCOc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 225439339 IKWFCRQPBBWRFA-UHFFFAOYSA-N 338.835 4.364 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccnc2)cc1 225501885 BBHPEVJVENBUBB-QGZVFWFLSA-N 329.469 4.164 0 40 EIAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)c(C)n1 225909622 ZNNYWRHCSIORMF-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 226265638 QCGHAZYQUYMHKL-UHFFFAOYSA-N 337.467 4.419 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(Br)o1 239593175 DSARCBAHOVLAIP-SNVBAGLBSA-N 348.196 4.149 0 40 EIAB CCOC(=O)c1nc2cccc(Br)c2c(Cl)c1Cl 685937394 ONKOSHGNYAWQJO-UHFFFAOYSA-N 349.011 4.481 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1C 131896 RGJGJZNFOXIJHI-UHFFFAOYSA-N 325.408 4.222 0 40 EIAB Oc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 250328 PRZVJFFQEBFBKT-UHFFFAOYSA-N 332.363 4.284 0 40 EIAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1 309023 CYRIFYPZLCUVAU-KRWDZBQOSA-N 333.387 4.331 0 40 EIAB O=C1/C(=C/C=C/c2ccccc2)NC(=S)N1c1ccc(Cl)cc1 368385 MUBBJQXPCCQHFL-QSJINSDNSA-N 340.835 4.158 0 40 EIAB C[C@H](Oc1ccc(F)cc1)c1nn2c(-c3ccccc3)nnc2s1 385334 RICFPBBQPZDAAI-NSHDSACASA-N 340.383 4.132 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)o1 997480 FPNSRMOJAIQDLY-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Brc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 2060245 MVXYZXAMBKDUKM-UHFFFAOYSA-N 349.253 4.497 0 40 EIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 2499141 FHQCHFPLLBVKLE-CQSZACIVSA-N 343.398 4.332 0 40 EIAB CCCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OC 2889622 WJYWCZODSGJZFD-UHFFFAOYSA-N 347.436 4.339 0 40 EIAB CCc1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 3216048 DGMXJFAURUWPCY-UHFFFAOYSA-N 325.393 4.145 0 40 EIAB COc1ccc(C)cc1NC(=O)COc1ccc(Cl)c(Cl)c1 3402950 SHPRJRCTPHWDAV-UHFFFAOYSA-N 340.206 4.328 0 40 EIAB C[C@H]1CN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1 3534149 ZQCQQFAMDPNHDC-GJZGRUSLSA-N 342.464 4.285 0 40 EIAB CCOC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1Cl 3623263 UMPIHWXZSMBGPZ-KRWDZBQOSA-N 345.826 4.073 0 40 EIAB O=C(CNc1ccccc1)c1ccc(C(=O)CNc2ccccc2)cc1 3844847 YJNAHCCKJIPNMY-UHFFFAOYSA-N 344.414 4.276 0 40 EIAB biogenic Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1Cl 4120021 JUCXNOLDMPVBOM-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C1CC1 4462542 UKTWKRBQHJPMQD-UHFFFAOYSA-N 343.448 4.030 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ncoc2-c2ccccc2Cl)c1 5002047 MFNXEKOHXRYAJT-UHFFFAOYSA-N 340.766 4.450 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccccc1F 5244106 KVKMVLNZBWLHAA-UHFFFAOYSA-N 341.338 4.025 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 5405600 WXZSTUOCEWEPDV-PBHICJAKSA-N 347.414 4.227 0 40 EIAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 5696619 IPTPXVVJLQYJRU-MRXNPFEDSA-N 345.508 4.284 0 40 EIAB O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(Cl)c2cccnc12 5731532 VMSJOMIXYDCHMM-WJDWOHSUSA-N 349.777 4.145 0 40 EIAB O=c1oc2ccccc2c(O)c1SC(F)(F)[C@H](F)C(F)(F)F 5731629 CYVJSJILZQKBIU-SNVBAGLBSA-N 344.232 4.084 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1cc(C)ccc1C 6540222 CPILMKOQXDCSEX-UHFFFAOYSA-N 327.424 4.500 0 40 EIAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1[C@H]1C[C@@H]2C=C[C@H]1C2 6927761 BIZSKJWQSUHLKB-MNEFBYGVSA-N 344.414 4.372 0 40 EIAB COc1ccccc1N(CC(=O)c1ccccc1)C1=NCCCCC1 7276466 QDCVJGMBWAAGJJ-UHFFFAOYSA-N 336.435 4.357 0 40 EIAB O=C(NCCSCc1ccccc1F)c1cc2ccccc2o1 7638197 INKRNKKOIPZSNX-UHFFFAOYSA-N 329.396 4.235 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 8752836 CHGMHJXHCWOEEE-GDBMZVCRSA-N 344.480 4.229 0 40 EIAB Cc1ccc(N[C@@H](c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 9111318 KIQRBVIWYWDOMD-FQEVSTJZSA-N 341.414 4.433 0 40 EIAB CCOc1ccc(Nc2nc(C)c(Cc3ccc(C)cc3)c(=O)[nH]2)cc1 9939367 KCCGOWPGQVBXDD-UHFFFAOYSA-N 349.434 4.120 0 40 EIAB c1csc([C@H]2c3ccsc3CCN2CCc2ccncc2)c1 10909148 YKLYQHAHXYLHEW-GOSISDBHSA-N 326.490 4.395 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11074598 PQWKELYCRRJICF-UHFFFAOYSA-N 349.434 4.021 0 40 EIAB Cc1cc(NC(=O)C[C@@H](C)c2ccccc2)ccc1N1CCCC1=O 11743232 YUCWRZKAARMMDF-OAHLLOKOSA-N 336.435 4.254 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12586507 JSIXENUMRTYLNG-UHFFFAOYSA-N 341.451 4.407 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc(F)ccc2OC)c1 12782659 VTQYISBAOUAIKY-GOSISDBHSA-N 345.414 4.189 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1F)[C@H](c1ccccc1)N1CCCC1 12824462 FPJKCVGZWSFNOM-DNVCBOLYSA-N 341.430 4.173 0 40 EIAB S=c1[nH]c(-c2ccccc2)nn1CN1CCC[C@H]1c1ccccc1 12947565 WQUQDGXNHQBTLO-KRWDZBQOSA-N 336.464 4.402 0 40 EIAB C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 12979272 GHGRDEVHEWVBOP-HNNXBMFYSA-N 331.419 4.241 0 40 EIAB CC(C)COP(=O)(OCC(C)C)[C@H](O)C(Cl)(Cl)Cl 16575316 UQSNSYHFHIOCCI-VIFPVBQESA-N 341.599 4.213 0 40 EIAB Cc1ccc(S(=O)(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 18009142 BYHLJPUGIAHJKD-AFGAAMFOSA-N 333.497 4.022 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCSc2ccc(Cl)cc2)c1 20111892 OXGANHILCMDQQQ-UHFFFAOYSA-N 333.884 4.408 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 20495327 ZUASIRYLTMTPJD-DNVCBOLYSA-N 329.415 4.477 0 40 EIAB CCOc1ccc(Cl)cc1C(=O)Nc1cc(OC)ccc1OC 21141424 AFUFZOARUKSEMH-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB CC(C)c1cc(C(=O)N(C)Cc2ccco2)c2cnn(C(C)C)c2n1 21902956 RIJILLNKZQDBLV-UHFFFAOYSA-N 340.427 4.001 0 40 EIAB CCCCCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 22512047 QOVKEHDADOLVCG-UHFFFAOYSA-N 344.455 4.109 0 40 EIAB Cc1ccc(-c2nc(CCn3cnc4cc(C)c(C)cc43)no2)cc1 22732848 IHYGKNCSHKNNSB-UHFFFAOYSA-N 332.407 4.254 0 40 EIAB Cc1occc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23011687 PXNAXJBQWKMCLJ-UHFFFAOYSA-N 335.363 4.484 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(F)c1 23294725 CZJRNQWVXYLPBS-UHFFFAOYSA-N 344.283 4.302 0 40 EIAB O=C(CCC(=O)c1cccs1)OCc1coc(-c2ccccc2)n1 24278327 GQSQKQURLNAXQP-UHFFFAOYSA-N 341.388 4.109 0 40 EIAB CCc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 28683278 FCKXQODIVGAFGO-CQSZACIVSA-N 343.496 4.190 0 40 EIAB COc1ccc(OC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 29083353 PRLIWVKWSNPJFH-UHFFFAOYSA-N 341.338 4.028 0 40 EIAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 30873987 CSEVGGQHNVLMRR-HNNXBMFYSA-N 327.424 4.444 0 40 EIAB Clc1ccc(CSc2nnnn2C2CCCC2)c2ncccc12 31654321 VQNVYJUVODKJDY-UHFFFAOYSA-N 345.859 4.282 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)o1 31871935 ZCFWMONQRUWERG-GFCCVEGCSA-N 338.432 4.232 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 38772553 OPRVNWSKUOIYSJ-IRXDYDNUSA-N 325.452 4.154 0 40 EIAB O=C(Cc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1 40025765 HZSSKAKUXOBZOL-UHFFFAOYSA-N 330.309 4.435 0 40 EIAB COc1ccc2cc(CNC(=O)N(C3CC3)[C@@H](C)C3CC3)ccc2c1 40150050 WSFLLPNTAYDIQT-AWEZNQCLSA-N 338.451 4.321 0 40 EIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCCCC1 41095402 SMKVPUXACRPTNM-UHFFFAOYSA-N 345.892 4.048 0 40 EIAB O=C(NCc1nc(-c2ccncc2)cs1)Nc1cccc(Cl)c1 41133703 HAWQMEYXOMAQJK-UHFFFAOYSA-N 344.827 4.180 0 40 EIAB COc1ccc(-n2c(CSc3ncccn3)nc3ccccc32)cc1 44656624 SERMVQXRGCQGLJ-UHFFFAOYSA-N 348.431 4.116 0 40 EIAB COc1cc([C@H](C)NC(=O)c2ccc(C)o2)ccc1OC1CCCC1 48339901 JPLMTYWNEWIJHO-AWEZNQCLSA-N 343.423 4.409 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)n1cccn1 48355439 CXCUEWCLUQAFLE-INIZCTEOSA-N 346.217 4.418 0 40 EIAB CCOc1ccc2cccc(NC(=O)c3c(F)cccc3F)c2n1 49414983 DRJNGIPYCCCURJ-UHFFFAOYSA-N 328.318 4.164 0 40 EIAB COc1ccc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412522 XRLDDVMWIJYRGA-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB CCCC[C@H](CC)Cn1nc(Br)nc1Br 67799118 GMDZWBDGRROGHQ-QMMMGPOBSA-N 339.075 4.020 0 40 EIAB O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCCCCC2)CC1 69538337 WIDHCONZEJHECV-UHFFFAOYSA-N 348.531 4.034 0 40 EIAB COc1cccc2cc([C@H](C)NC(=O)N[C@H](C)c3nccs3)oc12 69566283 YFWIKZKAOQHTQT-WDEREUQCSA-N 345.424 4.019 0 40 EIAB CCOC(=O)c1c(CN(C)[C@@H]2CCC[C@@H]2SC)oc2ccccc12 76089746 HCEUSORQMVIKQK-PBHICJAKSA-N 347.480 4.325 0 40 EIAB CCOc1ccc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1OC 85384361 WCATZLLVFLYVNB-UHFFFAOYSA-N 329.787 4.199 0 40 EIAB C[S@](=O)Cc1cccc(NCc2csc(-c3ccsc3)n2)c1 89493167 CEGVXLMBNYOSHG-JOCHJYFZSA-N 348.518 4.362 0 40 EIAB COc1ccc([C@H](C)NCCSc2ccccc2)cc1NC(C)=O 89904730 OIGRYFKGGOCXFB-AWEZNQCLSA-N 344.480 4.097 0 40 EIAB O=C(C1=NO[C@@H](c2ccccc2)C1)N(C1CC1)[C@@H]1CCc2ccccc21 95377482 VVMZJCHWWNYQGQ-NHCUHLMSSA-N 346.430 4.183 0 40 EIAB CC[C@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1cccs1 95412409 GNSPVKUWHYVKSQ-KBPBESRZSA-N 336.482 4.044 0 40 EIAB COC(=O)c1nc(-c2ccccc2OC)sc1-c1ccccc1 95942020 JOHVSMSSSSMBJL-UHFFFAOYSA-N 325.389 4.272 0 40 EIAB COc1ccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c(C)c1 96181983 QMZCOBVEJULPCR-UHFFFAOYSA-N 343.814 4.036 0 40 EIAB OC1(Cc2ccccc2)CC2CC(C1)CC(O)(Cc1ccccc1)C2 96509988 KPGXKGHYIICLIJ-UHFFFAOYSA-N 336.475 4.144 0 40 EIAB CCSc1nc2n(n1)[C@H](c1sccc1C)C1=C(O)CCCC1=N2 102622968 BRSXHSPJJXJZSR-ZDUSSCGKSA-N 346.481 4.432 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 106684831 QSIMAUORQFDGRL-ZSOIEALJSA-N 333.796 4.478 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2nc3ccccc3o2)CC1 110514421 ONTAGPCVIYKFDO-XIRDDKMYSA-N 338.451 4.360 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 216247634 JZXXNLLYMXDUSW-GFCCVEGCSA-N 338.234 4.419 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc3ccccc3c2)c1 222787571 JKYYBUFHPBGTGU-UHFFFAOYSA-N 333.431 4.460 0 40 EIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2)cc1Cl 224118935 GABONMJKQMHXRL-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C 224622332 XQFUCDUPCRCGQN-KRWDZBQOSA-N 347.842 4.001 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)c(C)c1 225039223 JPWLPMWFAWLFTF-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB Cc1cc(NC(=S)NC(C(C)C)C(C)C)ccc1N1CCCC1=O 225328383 DTKGEKKWLHPAPJ-UHFFFAOYSA-N 347.528 4.089 0 40 EIAB O=C(NCc1cccnc1-c1cccs1)c1ccc2[nH]ccc2c1 225760629 QYVKBVYKYBGEEX-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 225861426 XNSGJHKIDUPYAV-UHFFFAOYSA-N 328.387 4.070 0 40 EIAB CN(C(=O)C(F)(F)F)c1cccc(-c2nc3ccccc3s2)c1 226280932 YSZWYTDBDMEBKR-UHFFFAOYSA-N 336.338 4.488 0 40 EIAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257255088 KGBCLYILXLPSET-MRXNPFEDSA-N 330.403 4.114 0 40 EIAB O=C(c1c(F)cccc1Cl)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148959 NDYNOYIVEGJCGW-CQSZACIVSA-N 345.801 4.044 0 40 EIAB CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3)c2c1C 109462 SODMBVYLWHGAFJ-UHFFFAOYSA-N 341.436 4.097 0 40 EIAB CCCC(=O)Nc1cnc(NC(=O)c2ccc(Cl)cc2)cc1C 1352794 FFULZNAGYFAULM-UHFFFAOYSA-N 331.803 4.034 0 40 EIAB O=S1(=O)CC[C@H](Sc2ccccc2Cl)c2ccsc21 1398520 ISXORIDTQWHGJD-NSHDSACASA-N 330.883 4.412 0 40 EIAB Cc1ccc(OCc2nn3c(-c4cccc(C)c4)nnc3s2)cc1 2395513 SRDVCHMGARJSHO-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB CCOc1cc(OCC)c2c(C)c(-c3ccc(O)cc3)c(=O)oc2c1 2573886 ZULHNBYCOFCJFJ-UHFFFAOYSA-N 340.375 4.271 0 40 EIAB CP(=O)(OCCOc1ccccc1)OCCOc1ccccc1 3310503 KBIVRDXXIOFACV-UHFFFAOYSA-N 336.324 4.001 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 3443698 XBXHQSAQPVREPA-SECBINFHSA-N 343.732 4.472 0 40 EIAB COc1ccc(C)cc1-n1c(=S)[nH]c2sc(C)c(C)c2c1=O 5695798 HYTAQZHKNYTCGR-UHFFFAOYSA-N 332.450 4.044 0 40 EIAB COc1cc(NC(=O)[C@@H](C)Oc2ccccc2C)c(OC)cc1Cl 6208023 OKULCJFPNQDONY-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB O[C@H](c1ccccc1)c1nc2ccccc2n1CCc1ccccc1 6753100 JNDKZRIYRQLDAK-OAQYLSRUSA-N 328.415 4.361 0 40 EIAB CCn1c(-c2cc(C(=O)c3cc(C)ccc3O)c[nH]2)nc2ccccc21 7714899 WBALWJLFGWJLKO-UHFFFAOYSA-N 345.402 4.296 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccc2c(c1)OC1(CCCC1)O2 8428956 RSHWHJSWVITEQP-UHFFFAOYSA-N 327.355 4.048 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 10276707 QOKSLVHCYWZVQH-CQSZACIVSA-N 349.471 4.304 0 40 EIAB CCOc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc12 10384408 YRPGMGIBUOQDEO-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(OC)c1 11342811 YIPZDJXAMFKEAB-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB Cc1cccc2cc3c(nc12)O[C@@H](F)CN(CCc1ccccc1)C3 13564328 YNDWJXJZMUEGEE-LJQANCHMSA-N 336.410 4.276 0 40 EIAB O=C(O)CCC(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 13857750 MWIYWIPJFAPZAS-UHFFFAOYSA-N 335.359 4.435 0 40 EIAB CCOc1ccc(C[C@H]2C(=O)Nc3ccc(C)cc32)cc1OCC 15017688 NFSFZBTUDCHSQI-MRXNPFEDSA-N 325.408 4.071 0 40 EIAB CN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1CCCc2ccccc21 15291660 ARLYNYZZAHGRNW-SFHVURJKSA-N 337.398 4.385 0 40 EIAB Cc1ccc(NC(=S)NC(=O)/C=C\c2ccccc2)cc1Cl 17041328 VZJTTZBCFMVUOV-NTMALXAHSA-N 330.840 4.175 0 40 EIAB O=C(c1ccc(F)cc1Br)N1CCCc2ccccc21 19425486 SUOLRBRYLPDBLC-UHFFFAOYSA-N 334.188 4.181 0 40 EIAB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(N)cc2C)cc1 19736765 TVIMTIYODGBDLM-UHFFFAOYSA-N 326.440 4.282 0 40 EIAB CCOC(=O)c1c(NC(=O)Nc2cccc(C)c2)sc(C)c1C 19797036 XJOHPFBVAFWFOO-UHFFFAOYSA-N 332.425 4.494 0 40 EIAB CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20142016 VXZVULXKYBBFJL-UHFFFAOYSA-N 347.798 4.325 0 40 EIAB Cc1ccsc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 22131935 MRMJAWBKOHAMRG-HNNXBMFYSA-N 343.448 4.195 0 40 EIAB Cc1noc(C(C)C)c1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 23032779 WEBCZIPFJCRGLE-LBPRGKRZSA-N 340.379 4.016 0 40 EIAB O=C(N[C@@H]1CCc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 32769196 JAKQIMWXOKKSEO-HXUWFJFHSA-N 343.430 4.167 0 40 EIAB COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2C)cc1F 32863039 XOACXZWKKHTHDP-KBPBESRZSA-N 330.403 4.264 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1cccc2ncccc12)c1ccccc1 32903430 WJROYKTVQGJCMD-NRFANRHFSA-N 347.462 4.048 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)c(C)c1 36620377 NUBINKUAVXQAQI-LJQANCHMSA-N 343.492 4.446 0 40 EIAB Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39768087 CMWQPVONYMQPGV-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB COc1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 39974162 NNGKATHEYLQDEJ-SFHVURJKSA-N 342.464 4.068 0 40 EIAB O=C(c1cccc(Br)c1)N(Cc1ccsc1)C1CC1 40492165 XKBLUPAPMJBPKY-UHFFFAOYSA-N 336.254 4.315 0 40 EIAB CN(Cc1csc2ccccc12)C(=O)Nc1ccc(N(C)C)nc1 48090999 NMISPSCPNMCLIY-UHFFFAOYSA-N 340.452 4.026 0 40 EIAB Cc1ccc(C)c(CN2CC(c3nc(-c4cccs4)no3)C2)c1 49484679 JXWKJCFMGIOATQ-UHFFFAOYSA-N 325.437 4.014 0 40 EIAB Cc1cc(F)ccc1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 69975287 XXBCZHPUMKHONF-UHFFFAOYSA-N 338.386 4.092 0 40 EIAB CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N3CCCC3)ccc21 71856568 BVZAOUGYJCKRCT-UHFFFAOYSA-N 345.443 4.002 0 40 EIAB Cc1cc(C[S@](=O)[C@H](c2ccccc2)c2ccccc2C)no1 78394594 VKSHHSSUMGCPBT-AUSIDOKSSA-N 325.433 4.330 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1Cl 85651277 MGNYEHPOYUKQAN-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB Cc1cc(-c2csc(C3CC3)n2)c(C)n1NC(=O)c1ccccc1 89578014 KZVZJJMOTUNKJO-UHFFFAOYSA-N 337.448 4.490 0 40 EIAB O=C(Nc1c(-c2ccccc2)ncn1C1CC1)c1ccc(Cl)cn1 95398763 COYPDIBDDPEECG-UHFFFAOYSA-N 338.798 4.186 0 40 EIAB Cc1ccc(C[S@](=O)Cc2cn3cc(Cl)ccc3n2)cc1C 95412197 AJNYNHHUMYCLPQ-JOCHJYFZSA-N 332.856 4.053 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1cccc2c1ccn2C(C)C 95472756 ZNCUXTSWAMXYFA-UHFFFAOYSA-N 325.412 4.398 0 40 EIAB Fc1ccc(-c2cnc(SC3CCC4(CC3)OCCO4)o2)cc1 96010400 PAHWASCUGPOVPT-UHFFFAOYSA-N 335.400 4.259 0 40 EIAB CC(C)COc1ccc(C(C)(C)NCc2nnc(C3CCC3)o2)cc1 96410329 QVIQOZFRRMBDBH-UHFFFAOYSA-N 343.471 4.397 0 40 EIAB CCO[C@@H](C)c1noc(CSc2nc3cc(Cl)ccc3o2)n1 96413114 STRVEXQAZCYKHB-QMMMGPOBSA-N 339.804 4.254 0 40 EIAB Cc1csc([C@@H](NC(=O)Nc2cccc3[nH]ccc23)C2CC2)n1 96434453 WAUMXPYBQPCCHZ-HNNXBMFYSA-N 326.425 4.206 0 40 EIAB Cc1ccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)s1 96759176 PRTBUBCEQCHCCN-FLIBITNWSA-N 328.824 4.364 0 40 EIAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCCC5)(C4)C2)C3)cc1 100771879 PECQJEVHOKDVKR-UOBYYGQQSA-N 339.479 4.156 0 40 EIAB CCc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(F)cc2)C(=S)N1 101170034 KMAMYELVICOFMI-QFBILLFUSA-N 342.439 4.323 0 40 EIAB CC(=O)c1ccc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 104544774 MIMVHMHMJOXXIT-LDEVPTQISA-N 325.452 4.368 0 40 EIAB CC[C@@H](C(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(OC)cc1 192604520 KICJYNAUJFBNPY-AEFFLSMTSA-N 344.480 4.317 0 40 EIAB O=C(Cc1cccs1)N1CCC[C@@H]1c1nc(C2CCCCC2)no1 193168516 WHXBBWTWDHVBDU-OAHLLOKOSA-N 345.468 4.085 0 40 EIAB COc1ccc(CN(C)C(=O)CCc2cccc3ccccc23)cc1 222656643 QPHNEHWEDUGYBM-UHFFFAOYSA-N 333.431 4.440 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(F)cc2)cc1 222891998 GKYDBHFSIKKCEA-FQEVSTJZSA-N 343.442 4.295 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)c(C)c1 223517401 LFGHNJSMGJOMEI-QFBILLFUSA-N 341.451 4.347 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)CCc3ccc(F)cc3)s2)cc1 224734857 BAUJIBWZBYAIBD-UHFFFAOYSA-N 341.411 4.224 0 40 EIAB COc1ccc(Nc2ccc(Nc3cc(Cl)nc(N)n3)cc2)cc1 225207225 APEUXXYQKWWINR-UHFFFAOYSA-N 341.802 4.208 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 226301480 OMZKFMIWRSTRII-VXGBXAGGSA-N 332.831 4.300 0 40 EIAB O=C(NCc1ccc(-c2ccco2)nc1)C12CC3CC(CC(C3)C1)C2 238934866 VKDZHHQHUYYVQQ-UHFFFAOYSA-N 336.435 4.174 0 40 EIAB C[C@@H](NC(=O)C1(C)CCC(=O)CC1)c1ccc(-c2cccnc2)cc1 570478493 PNJQIMRNTGIALK-OAHLLOKOSA-N 336.435 4.075 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 575618679 AXTHIEGIXVERBB-GFCCVEGCSA-N 348.855 4.180 0 40 EIAB CCOC(=O)c1c(C)oc2ncnc(NCCCC3CCCCC3)c12 1615546966 QRICQSCRYORFBS-UHFFFAOYSA-N 345.443 4.480 0 40 EIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 72363 BVXBOSFRFPTSOV-MSOLQXFVSA-N 338.407 4.260 0 40 EIAB Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1 381966 RWGMDOAOBUVNIK-LJQANCHMSA-N 333.366 4.300 0 40 EIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 412784 NEHBXEPVXUCNMK-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB CC1=NN(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)O1 482097 QACIBGPHFOKLNP-UHFFFAOYSA-N 342.398 4.327 0 40 EIAB COc1cc2c(cc1OC)[C@H](c1ccc(C(C)C)cc1)CC(=O)N2 816277 PMHMUDINDCCSAE-HNNXBMFYSA-N 325.408 4.301 0 40 EIAB Cc1ccccc1Nc1ncccc1C(=O)NCCc1ccccc1 1340605 WMKQNGKBWLKJIC-UHFFFAOYSA-N 331.419 4.106 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CC=CC2)c1 2515410 ZHNDQECJRXXWTQ-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB O=C(Nc1ccc(C2CCCCC2)cc1)C(=O)NC1CCCCC1 2534497 AWDZUPPZFVLRJP-UHFFFAOYSA-N 328.456 4.122 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(NC(C)=O)cc2)cc1 3447441 ZRYCTYBFDLDVQL-AWEZNQCLSA-N 340.423 4.176 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 3606817 JICUQVJIQKDZSD-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB CCCC(CCC)C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 3911673 JIZKZYZTUZAZMV-UHFFFAOYSA-N 342.483 4.020 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)OC/C=C\c2ccc3c(c2)OCO3)C1(C)C 4683143 URWLGILKUJFTEN-CPHMMYSSSA-N 328.408 4.210 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 4863534 RQJHOEDAGSLRAT-UHFFFAOYSA-N 331.456 4.481 0 40 EIAB COc1ccc(NC(=O)c2ccoc2COc2ccc(C)cc2)cc1 5032776 HMOSKVGIADWDGN-UHFFFAOYSA-N 337.375 4.428 0 40 EIAB COc1ccccc1CNC(=O)COc1ccccc1-c1ccccc1 5460620 QRVNNQKAMNIXKB-UHFFFAOYSA-N 347.414 4.057 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)[nH]n1 5532170 KWTFHXSPKCPYPY-UHFFFAOYSA-N 331.297 4.348 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 5841863 QTSLWEIXLGWPJL-UHFFFAOYSA-N 346.814 4.195 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(N2CCCC2=O)c1 7917079 ZRDRMTXMNXYQLF-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB COc1ccc2c(CC(=O)N3CCC[C@@H]3c3cccs3)coc2c1 8131667 VFNYEBBVTWFDPM-MRXNPFEDSA-N 341.432 4.409 0 40 EIAB COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccco1 9781655 KRFFIZCZRCRQOP-SFHVURJKSA-N 346.386 4.280 0 40 EIAB COc1cc(C)c(Cl)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 11566472 HSUVJGUKOJYFDY-UHFFFAOYSA-N 347.908 4.150 0 40 EIAB Cc1ccc2[nH]cc(-c3csc(NC(=O)[C@]4(C)CCCO4)n3)c2c1 12198608 RVZZLNWZCXTONV-SFHVURJKSA-N 341.436 4.107 0 40 EIAB CC(C)n1ncc2cc(NC(=O)c3ccccc3C(F)(F)F)cnc21 12757543 KJMDDDFLIRMCNY-UHFFFAOYSA-N 348.328 4.283 0 40 EIAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 13550694 BBBXUPFBAGMSLI-UHFFFAOYSA-N 345.811 4.023 0 40 EIAB Fc1ccccc1-c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13732689 WILNAFBAKDNQHD-UHFFFAOYSA-N 347.378 4.207 0 40 EIAB COc1cc(C[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14760155 QDDILOVMGWUNGD-ZIAGYGMSSA-N 328.408 4.187 0 40 EIAB endogenous,in-man Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCCCC2)o1 15860201 GBWYVSQXFNSNAB-QGZVFWFLSA-N 346.858 4.198 0 40 EIAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccc2c(c1)CCCC2 21398336 OFYVRHIOAHKWNW-VLIAUNLRSA-N 337.488 4.460 0 40 EIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(C2CC2)on1 25624149 PTAIRBSIVSVWOH-GOSISDBHSA-N 332.403 4.266 0 40 EIAB CCOc1ccc(OCC)c(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)c1 25734478 NWZPXSVJZIZUIE-WCQYABFASA-N 346.452 4.202 0 40 EIAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1 26203749 KSPMYTPAJQGUAW-SFHVURJKSA-N 341.451 4.212 0 40 EIAB CC(C)COCCCNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 26264673 FLBZDEACIJOBTB-OAHLLOKOSA-N 332.444 4.198 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)C(F)(F)F 32102220 CNADGNNSGYMUNR-UHFFFAOYSA-N 341.676 4.044 0 40 EIAB O=C(/C=C/c1ccncc1)Nc1cccc(C#Cc2cccs2)c1 32321211 WWJGZVXYSVCUDA-VQHVLOKHSA-N 330.412 4.195 0 40 EIAB CCCc1ccc([C@@H](NC(=O)C2CCOCC2)c2cccs2)cc1 32745055 NWKRONQOPDTDFU-LJQANCHMSA-N 343.492 4.333 0 40 EIAB Cc1ccccc1CCNC(=O)N[C@@H]1CCSc2ccccc21 32795067 XTHSCIDXZQRUMI-QGZVFWFLSA-N 326.465 4.074 0 40 EIAB CCOc1ccc(-c2noc(CNc3ccc(C)c(F)c3)n2)cc1 40071581 DFIBQFQDWKNGGA-UHFFFAOYSA-N 327.359 4.195 0 40 EIAB CCOc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1 41097135 VODPRGCBVSHNNV-UHFFFAOYSA-N 340.828 4.123 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1C 44843581 WUCZOOPWZJEDAK-OAHLLOKOSA-N 331.843 4.383 0 40 EIAB O=C(Nc1ccccc1)C1CCN([C@H]2CCCc3ccccc32)CC1 58007398 PEZSGEQJTCZHIL-NRFANRHFSA-N 334.463 4.415 0 40 EIAB C[C@H](CC(=O)N1CCC[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 58222754 YLWREEXYJAYJAH-KUHUBIRLSA-N 327.399 4.389 0 40 EIAB O=C(Cn1ccc(-c2ccc(F)cc2)n1)Nc1ccc(F)c(Cl)c1 58245230 XKAILJZYJQEPQR-UHFFFAOYSA-N 347.752 4.120 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 58326887 YJHOHTHTVBWUQN-UHFFFAOYSA-N 348.855 4.054 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1Cl 72227994 UTRGGMKEXWIVID-UONOGXRCSA-N 341.625 4.062 0 40 EIAB COc1ccc(-c2csc(CNC(=O)C3CCCCC3)n2)cc1 72264923 OGJLIWPVXDGLTB-UHFFFAOYSA-N 330.453 4.015 0 40 EIAB O=C(C[C@@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 72287468 PYHNWDDJDPDFKH-GOEBONIOSA-N 342.464 4.153 0 40 EIAB COc1cccc([C@H]2C[C@@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 72332440 NLKVUNQWEWGQCC-MOPGFXCFSA-N 334.423 4.050 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N3CCCCC[C@@H]3CC(C)C)c2)o1 73922641 ZGSHSDXPDHGWFA-GOSISDBHSA-N 341.455 4.476 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2Oc3ccccc3[C@H]2C)n1 76016981 RFSHLQKWWGPALO-KMFMINBZSA-N 342.464 4.070 0 40 EIAB CCOC1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 78394944 UHBNLSZMWGBMSM-UHFFFAOYSA-N 330.453 4.448 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@H]1CC1(Cl)Cl 88262223 PGPWQBRICXVEEX-HUUCEWRRSA-N 338.209 4.225 0 40 EIAB CS[C@H]1CCCC[C@H]1NCc1cccc(COC2CCOCC2)c1 95967918 GCKMXBXQHMDWOJ-UXHICEINSA-N 349.540 4.146 0 40 EIAB CC(C)OCc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 97113195 VGVKBKVYHICXJC-SFHVURJKSA-N 342.443 4.094 0 40 EIAB Cc1cccn2cc(-c3ccccc3NC(=O)NC3CCCC3)nc12 206910469 BCTUPVZBHQATEY-UHFFFAOYSA-N 334.423 4.374 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12 222872770 MOUXUTUVACVQFL-FQEVSTJZSA-N 337.394 4.453 0 40 EIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223682147 QOIDEDVKZYWZSI-QGZVFWFLSA-N 337.463 4.300 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 224260028 UPDMYWJEIZMOHA-UHFFFAOYSA-N 345.826 4.478 0 40 EIAB Cc1cccc(CSCCCNC(=S)Nc2cc(C)ccn2)c1 225605267 ISTQVWZFVSOVQN-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1Cl 226274632 WTEMCHYBYUEQHG-SECBINFHSA-N 340.206 4.308 0 40 EIAB Fc1ccc([C@@H]2C[C@H]3CN(Cc4cccs4)C[C@]34CCCN24)cc1 247519578 KYELLYOWCJKDFN-FFZOFVMBSA-N 342.483 4.299 0 40 EIAB CC(C)NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408975688 CEONGASVAIHBTJ-UHFFFAOYSA-N 347.374 4.288 0 40 EIAB O=C(NCC(c1ccco1)c1ccco1)c1nc2ccccc2s1 675007663 FVFHDUJWXDBUQF-UHFFFAOYSA-N 338.388 4.044 0 40 EIAB O=C(CSCc1ccccc1)NCC(c1ccco1)c1ccco1 675007835 TXJZBPOHWXAHHK-UHFFFAOYSA-N 341.432 4.054 0 40 EIAB COc1cccc(CNC(=O)c2sc3ccccc3c2Cl)c1 338734 HHHXXYAHYGWNPE-UHFFFAOYSA-N 331.824 4.493 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(C)cc3)o2)c(OC)c1 415468 LMPWTIYIPFKEGG-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB COc1cc(C=O)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 566025 KYMPHUWMFDVTDM-UHFFFAOYSA-N 325.147 4.034 0 40 EIAB Nc1nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2s1 912032 RDUFTULMWOHKNX-UHFFFAOYSA-N 338.219 4.438 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1649322 KPMWGGRSOPMANK-MLGOLLRUSA-N 336.815 4.350 0 40 EIAB in-vitro CCOc1ccc(-c2ncncc2Oc2cccc(OC)c2)c(O)c1 2372748 SYBCGTPBZYEFPM-UHFFFAOYSA-N 338.363 4.049 0 40 EIAB O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Br 2506700 RABKUCPRNJPBRH-UHFFFAOYSA-N 340.604 4.473 0 40 EIAB in-vitro O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CCCCC1 2515534 DJJJPRHWAAHMBM-UHFFFAOYSA-N 333.353 4.321 0 40 EIAB COc1ccc(NC(=O)[C@H](NCC(C)C)c2ccccc2)cc1Cl 3281101 RBXRGENTOVGZCS-GOSISDBHSA-N 346.858 4.274 0 40 EIAB C[C@H]1CCC[C@@H](C)N1CC(=O)Nc1ccccc1Cc1ccccc1 3322021 JSQYUKKJLJXHJF-HDICACEKSA-N 336.479 4.479 0 40 EIAB Cc1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 3501219 GFWUIVLXOBFPLZ-UHFFFAOYSA-N 331.828 4.256 0 40 EIAB COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC 3549183 LJARNOAFINUYFH-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1ccc([C@H](CCNCCCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 5348427 DJFIHPNECOPQER-SFTDATJTSA-N 346.559 4.215 0 40 EIAB COc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 5514287 SXSIOYJUBLHLNL-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB O=c1[nH]c(CNc2ccc(Cl)cc2)nc2sc3c(c12)CCCC3 7321818 SNIVMSRCIBDJOW-UHFFFAOYSA-N 345.855 4.129 0 40 EIAB COc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1 7987659 ACVBHEXJCUOVBZ-UHFFFAOYSA-N 337.404 4.057 0 40 EIAB Fc1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)cc1 9289361 KDYYAJBEVGKSQL-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1 9420708 RBHDGLPJRBLZIK-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB O=c1c(NCCC2=CCCCC2)nccn1-c1ccc(F)c(Cl)c1 9639229 CEBJTVBZIDHLBD-UHFFFAOYSA-N 347.821 4.327 0 40 EIAB CN(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccccc1 11565775 FAXAKDRECMNGRD-UHFFFAOYSA-N 348.185 4.376 0 40 EIAB COc1ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 11703199 GDUHYSRBDYYHJL-OXQOHEQNSA-N 341.451 4.366 0 40 EIAB Cc1nc2c(c(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)n1)CCC2 12016751 SWFPMWZOVYNCNR-SNVBAGLBSA-N 347.871 4.046 0 40 EIAB CC(C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1cccs1 12143780 HHMZKQQYCKIRNY-SFHVURJKSA-N 339.464 4.120 0 40 EIAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188021 HTEWJEFWURZSRV-GOSISDBHSA-N 334.394 4.394 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1 12349048 QPFMBQYRUHBKDS-QGZVFWFLSA-N 330.497 4.078 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OC 12633715 GFWDSSKSGBYXBM-UHFFFAOYSA-N 334.803 4.093 0 40 EIAB Cc1csc(N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2)n1 12762418 LBUCLMFXFCZERI-KRWDZBQOSA-N 336.416 4.120 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1ccccc1 12876920 ANOKZOSQCRVHEG-ZDUSSCGKSA-N 337.398 4.119 0 40 EIAB COc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)c1 13009957 KJGDJNHVNIPPHA-MRXNPFEDSA-N 348.446 4.307 0 40 EIAB COc1ccc2nc(SCc3ccccc3OC(F)F)[nH]c2c1 14130016 DBBYKTFZGBOCEX-UHFFFAOYSA-N 336.363 4.465 0 40 EIAB CCOc1cc(CO)cc(Cl)c1OCc1ccc(Cl)cc1 17066911 GORGJUYYNFTKSE-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB Fc1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 17067207 HVJNWEZSQMDWPU-UHFFFAOYSA-N 328.334 4.331 0 40 EIAB Cc1cc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)no1 18199878 SYWNQNUBNQJOCX-ZDUSSCGKSA-N 329.208 4.068 0 40 EIAB Cc1cnc(C(=O)Nc2ccccc2SCc2ccccc2)cn1 18703573 JVTOLSPOICGLSS-UHFFFAOYSA-N 335.432 4.330 0 40 EIAB Cc1ccc(N=c2c(C(=O)O)c[nH]c3c(C)c(Cl)ccc23)cc1 19793880 NJISPJJYOFJJGQ-UHFFFAOYSA-N 326.783 4.369 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 20041243 ZGCCHKBHTYPCLY-JTQLQIEISA-N 340.206 4.408 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(OC)cc1 20493332 LHGGVQBRVMTXBW-GUYCJALGSA-N 347.842 4.383 0 40 EIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2[nH]cnc2c1 21205743 UEAYIRPBKCGQPW-UHFFFAOYSA-N 349.390 4.247 0 40 EIAB Cc1ccc(OCCN(C)C(=O)c2cc3ccccc3cc2O)cc1 24184782 VJMMXSZECWXZFB-UHFFFAOYSA-N 335.403 4.005 0 40 EIAB COc1cccc(CN(C)Cc2coc(-c3ccc(F)cc3)n2)c1 24362097 JAVFOIWDPKXKAB-UHFFFAOYSA-N 326.371 4.121 0 40 EIAB COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 27580215 ORNHBTHQDZQLIG-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB COc1cccc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc12 28294763 TWQRPPXOQLHWCO-UHFFFAOYSA-N 342.464 4.460 0 40 EIAB O=C(c1ccccc1OC(F)F)N1CCCSc2ccccc21 32675993 IUKDGWAOPOFWJM-UHFFFAOYSA-N 335.375 4.431 0 40 EIAB CCOc1ccc(Nc2ncccc2C(=O)N2CCCCCC2)cc1 32814910 KMPJLDXEMLKTLJ-UHFFFAOYSA-N 339.439 4.240 0 40 EIAB CCOC(=O)c1cccc(NC(=O)C2=Cc3ccc(C)cc3OC=C2)c1 33321307 XHIMTJZADQCULR-UHFFFAOYSA-N 349.386 4.100 0 40 EIAB O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CCCCCCC1 44103412 YOTYBVAUPKEIIU-UHFFFAOYSA-N 329.444 4.270 0 40 EIAB CC(C)c1ccc(CN(C(=O)CCOCC(F)(F)F)C2CC2)cc1 58698923 QFJQKOBGMFMBOZ-UHFFFAOYSA-N 343.389 4.270 0 40 EIAB CSc1ccccc1NC(=O)CCN1CC[C@@H](c2ccccc2)C1 69878315 JFCCOTOHFRXGDV-QGZVFWFLSA-N 340.492 4.227 0 40 EIAB CSc1ccsc1C(=O)NC1(c2nc(C)cs2)CCCC1 71902966 JNGHEPLIALNBCH-UHFFFAOYSA-N 338.523 4.434 0 40 EIAB CCCNc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72213129 NRAKQCBPKHYLED-SFHVURJKSA-N 339.439 4.377 0 40 EIAB c1csc([C@@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1 72325808 VABFNXKGHZDDFV-LJQANCHMSA-N 335.476 4.091 0 40 EIAB O=c1oc2ccccc2cc1-c1nnc(-c2ccc3ncccc3c2)o1 72332492 HINWPYFUPJOCCF-UHFFFAOYSA-N 341.326 4.058 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 74896779 PGBTYGPMRZZONT-HIFRSBDPSA-N 348.491 4.182 0 40 EIAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 75359532 FTNLUDNJKNRTQX-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB O=C(Nc1cccc(NCc2cccc(F)c2F)c1)c1ccoc1 95428899 CBNYYDCCTYSKMR-UHFFFAOYSA-N 328.318 4.422 0 40 EIAB COc1cccc2cc(CNc3cccc(C[S@@](C)=O)c3C)oc12 95429139 MRBRGUQLRNABDT-DEOSSOPVSA-N 343.448 4.240 0 40 EIAB CC1(C)[C@@H]2C[C@@H](Sc3nnn(-c4ccccc4)n3)[C@](C)(Cl)C[C@H]21 100098402 SSQSSYIXOVMRJG-VMUDFCTBSA-N 348.903 4.187 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1C 223828914 SCAVSEBEXMXLRC-UHFFFAOYSA-N 338.451 4.013 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 224198069 BYGZIJGNDZMDDY-YWZLYKJASA-N 341.451 4.292 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COC(C)C 224717384 DMBSIDPWQBFCNT-UHFFFAOYSA-N 343.423 4.271 0 40 EIAB CC(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 225428339 BASMSSBCZFVMLQ-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)c(C)n1 225911078 UQHNWJQIVPTREV-QRWLVFNGSA-N 348.487 4.493 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 243758558 QAKNENDGDCXUKE-PCBIJLKTSA-N 341.480 4.068 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C(F)(F)F)nc1 244975086 IASWPPWWLDZEFI-NSHDSACASA-N 348.324 4.208 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1 254578825 KHZGEKXOYJUNQM-SRVKXCTJSA-N 328.403 4.428 0 40 EIAB FC(F)(F)c1cccc([C@]2(F)CCN(C[C@@H]3CCSC3)C2)c1 549824187 JXGIEHLCZJXPFA-WFASDCNBSA-N 333.394 4.329 0 40 EIAB Cc1ccc(NC(=O)NCC[C@@H](CCO)c2ccsc2)cc1C 575606881 KQXPTRUBRASMSI-HNNXBMFYSA-N 332.469 4.043 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575610146 KYDXRTQSTMPOIQ-IBGZPJMESA-N 337.444 4.187 0 40 EIAB O=C(O)c1ccc(C23CC(c4cc(Cl)nc(Cl)c4)(C2)C3)cc1 575624294 XPXVRNMOIALSIP-UHFFFAOYSA-N 334.202 4.460 0 40 EIAB CO[C@]1(C)CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 1651817326 HHDVCCBNFRBHDN-OAQYLSRUSA-N 333.435 4.302 0 40 EIAB CCCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2cc1O 46559 PZFPOIXXFRWCQF-UHFFFAOYSA-N 334.375 4.005 0 40 EIAB Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc(C)c1Cl 118097 GWPOGSWBUIZOJH-UHFFFAOYSA-N 328.751 4.282 0 40 EIAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1C(C)C 411064 DQUABTXVENWYHM-UHFFFAOYSA-N 346.500 4.077 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1ccccc1 506252 MUXMMHQBAPZLMA-IBGZPJMESA-N 326.355 4.006 0 40 EIAB biogenic O=C(CSc1ccc(Cl)cc1)N1N=CC[C@@H]1c1ccccc1 541212 JQBFKXPQXJDVIZ-MRXNPFEDSA-N 330.840 4.392 0 40 EIAB O=S(=O)(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1606691 HTGQVPLFCQARQE-UHFFFAOYSA-N 330.403 4.200 0 40 EIAB CCOc1cc(C(=O)Nc2ccccc2F)ccc1OC(F)F 2796846 COSADMBVSZWMEU-UHFFFAOYSA-N 325.286 4.078 0 40 EIAB Cc1sc2ncnc(SCC(=O)NCC3CCCCC3)c2c1C 3254067 BANBIBNPWRONMM-UHFFFAOYSA-N 349.525 4.097 0 40 EIAB CC[C@H]1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1 3359649 XCHNDSPZKBUROJ-ZDUSSCGKSA-N 329.465 4.202 0 40 EIAB CSc1cccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)c1 3561860 XJYYLFDUJFLNBE-UHFFFAOYSA-N 343.448 4.409 0 40 EIAB O=C(Cc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 4137029 HIEYUNYTAOGYOS-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB Cc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1Cl 4478985 UGAIIEGAJKEESW-UHFFFAOYSA-N 335.856 4.397 0 40 EIAB O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)C1=NCCS1 4619558 XXUIZYQCJDQSQT-UHFFFAOYSA-N 345.855 4.477 0 40 EIAB Cc1ccc2c(c1)C(=O)O[C@](C)(c1cc(=O)c3cc(C)ccc3o1)C2 5033496 XVFCEPQFGPPNQO-NRFANRHFSA-N 334.371 4.038 0 40 EIAB CCc1cc2c(=O)c(-c3ccc(Br)cc3)coc2cc1O 5686753 ZSFFDHXRWQJTLQ-UHFFFAOYSA-N 345.192 4.491 0 40 EIAB CCCn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21 6850716 VLVXZSBXADLMNI-UHFFFAOYSA-N 345.240 4.024 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)Nc1cccc(F)c1 7094336 SGMDOOZXAYVDFR-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB COc1ccc(COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1F 7166245 HNBGJICNDSGYRF-LLVKDONJSA-N 334.412 4.378 0 40 EIAB CC(C)c1cc(-c2nc(-c3ccc(Br)cc3)no2)n[nH]1 7424949 PKFZTRHJROLWPL-UHFFFAOYSA-N 333.189 4.013 0 40 EIAB COCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 8469121 MUANPFGAKWLSSY-UHFFFAOYSA-N 340.250 4.308 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)cc2)c(F)c1F 9141614 ODKUDICYNVLUDP-UHFFFAOYSA-N 333.668 4.157 0 40 EIAB Cc1cccc(-n2nnnc2SCc2c(F)cccc2Cl)c1C 11623112 XLAOKZDOYUZIFY-UHFFFAOYSA-N 348.834 4.364 0 40 EIAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)c(F)c2)on1 11916874 NZFZYUGYPHPDBG-UHFFFAOYSA-N 326.327 4.050 0 40 EIAB O=c1[nH]c2ccccc2cc1CNc1ccc(N2CCCCC2)cc1 12088261 YDTPCMNDIYKIQG-UHFFFAOYSA-N 333.435 4.131 0 40 EIAB CC(=O)Nc1cccc(NC(=O)C2(c3cccs3)CCCC2)c1 12158000 CXGBZWSRRASMJW-UHFFFAOYSA-N 328.437 4.157 0 40 EIAB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccccc1 12531980 LFMKJIUYDSOLAI-OAHLLOKOSA-N 337.448 4.051 0 40 EIAB C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 12821574 UUYYRYNFKUNYNK-UBTSRBCMSA-N 347.764 4.008 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 13408755 DJPZSBANTAQNFN-XUDSTZEESA-N 330.468 4.450 0 40 EIAB biogenic,in-vitro CCCc1cc(OC(=O)CCC(C)C)n(-c2nc3ccccc3[nH]2)n1 13639573 KHQXYGLZVYAIGA-UHFFFAOYSA-N 340.427 4.043 0 40 EIAB C[C@H](NC=O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 13815311 MAALCIUOZARDBF-NSHDSACASA-N 348.233 4.198 0 40 EIAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@H](C)C3)s2)cc1 14139174 DYGLJUUKSICATA-AWEZNQCLSA-N 344.480 4.211 0 40 EIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1Cl 14244091 QKKZRIVTNPLBIC-GOSISDBHSA-N 346.833 4.046 0 40 EIAB CCc1c2c(c(C=N)c3sc(-c4ccccc4)c(O)[n+]13)CCCC2 19074799 NNBIJDHIMOTXLT-UHFFFAOYSA-O 337.468 4.298 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 19625078 PFJIIIZGBHEFKC-HBNTYKKESA-N 337.345 4.347 0 40 EIAB CCOc1ccccc1[C@H]1SCC(=O)N1c1cc(C)cc(C)c1 19927251 AVOVFRMRBRYKHS-LJQANCHMSA-N 327.449 4.481 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCCCc2cccc(C)c2)cc1 20450984 FVRGNADSWHENFE-MRXNPFEDSA-N 343.492 4.233 0 40 EIAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c(C)n1Cc1ccco1 22874425 KWMMPRQHOBBZFR-UHFFFAOYSA-N 330.334 4.277 0 40 EIAB Cc1ccc(C)c2sc(NC(=O)c3cccc(N(C)C)c3)nc12 23268603 QENXGQQWJUZEEC-UHFFFAOYSA-N 325.437 4.231 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 23709930 LAEKZVDSWBFWOP-UHFFFAOYSA-N 343.426 4.498 0 40 EIAB CCCCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 27822568 VZYSNIHOCRYOPR-UHFFFAOYSA-N 347.480 4.043 0 40 EIAB CCCCCC(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 32832143 LITZNUWETXYAME-UHFFFAOYSA-N 328.412 4.188 0 40 EIAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc21 33914008 MLHYGWVURLSNQG-UHFFFAOYSA-N 335.428 4.105 0 40 EIAB FC(F)(F)c1ccc(NCc2ccccc2CN2CCCC2)nc1 40004994 YSSQZJYHPZHFRH-UHFFFAOYSA-N 335.373 4.308 0 40 EIAB Cc1ccccc1-n1ccnc1SCc1noc(C(C)(C)C)n1 40063063 MGUCVRDUXOWBTN-UHFFFAOYSA-N 328.441 4.154 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2ccccc2)C1 40288408 AAQAHWQHIQBCFA-CYBMUJFWSA-N 325.318 4.274 0 40 EIAB CC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1 42754084 QEIAVLKEHIJDPP-LJQANCHMSA-N 334.375 4.393 0 40 EIAB CCOC(=O)c1ccoc1CN(C)Cc1cccc(C(F)(F)F)c1 48235140 MZJPMCHFMXNRAX-UHFFFAOYSA-N 341.329 4.107 0 40 EIAB Cc1nc(CNc2nc(-c3ccncc3)nc3ccccc23)cs1 48356575 QXZZICSURHOSNG-UHFFFAOYSA-N 333.420 4.069 0 40 EIAB CC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=Nc4c3cnn4C)o2)cc1 49543969 XEHHBPOSYFXNME-CQSZACIVSA-N 335.363 4.006 0 40 EIAB Cc1nc2cc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2o1 56255976 JKEBDLINBRXBDG-RYUDHWBXSA-N 326.318 4.443 0 40 EIAB Cc1cccc(C)c1-n1nnnc1SCc1ccc(Cl)s1 56634159 VIHXMXIMWYABCW-UHFFFAOYSA-N 336.873 4.286 0 40 EIAB CC1=C(C)[C@@H](NCc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 57270762 JMXHWXVTZFOEGV-VGSWGCGISA-N 348.490 4.302 0 40 EIAB O=C(NC1CCSCC1)c1cc(-c2ccco2)nc2ccccc12 58419831 GZZCJSINCGZEHB-UHFFFAOYSA-N 338.432 4.120 0 40 EIAB CC(=O)Nc1cc(NC(=O)N[C@H](C)c2cc(C)oc2C)ccc1Cl 65417783 PEYJWLAMIIDRKG-SNVBAGLBSA-N 349.818 4.391 0 40 EIAB Cc1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)n(C)n1 68777119 AOYVVOVJHBDWQI-KBXCAEBGSA-N 341.455 4.076 0 40 EIAB CC(C)n1c([C@@H]2CCCN(C(=O)c3ccco3)C2)nc2ccccc21 69780523 AXVWBSOCPFMVFT-OAHLLOKOSA-N 337.423 4.230 0 40 EIAB O=C(Nc1ccc(N2CCOC2=O)cc1)c1occc1-c1ccccc1 70039004 HLVXONTVNGEMLW-UHFFFAOYSA-N 348.358 4.156 0 40 EIAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(F)cc1 71279438 CABRTOYOPWAABM-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB Cc1nnc([C@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 71819458 ZGPFAHHILOUCAE-JTQLQIEISA-N 346.818 4.113 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H]1c1ccc[nH]1 71824113 XHMSDQFEUCHEAY-OXQOHEQNSA-N 338.451 4.197 0 40 EIAB Cc1cc(N2CCc3ccccc32)ncc1CNC(=O)OC(C)(C)C 72223940 ZQBWYSPFYYJNNP-UHFFFAOYSA-N 339.439 4.109 0 40 EIAB CC(C)(C)c1ccc(NC(=O)NCC[C@H](O)c2cccs2)cc1 77116059 XLUGFHAGWJCYGJ-HNNXBMFYSA-N 332.469 4.291 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 84688940 UXIYNRSVBHINMZ-IUODEOHRSA-N 341.407 4.482 0 40 EIAB CN(C)c1cccc(C(=O)N(Cc2ccoc2)Cc2cccs2)c1 90612110 WWGNGXMDEJNBSZ-UHFFFAOYSA-N 340.448 4.250 0 40 EIAB CC[C@@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccs1 95412412 GNSPVKUWHYVKSQ-ZIAGYGMSSA-N 336.482 4.044 0 40 EIAB Cc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(C)n2)c(C)c1 95998822 UQHFZRVUAHZJML-INIZCTEOSA-N 328.416 4.144 0 40 EIAB Cc1ccccc1CN1CCC[C@@]12CCN(C(=O)Nc1ccccc1)C2 96071096 NJCSHUZDXFILMT-QFIPXVFZSA-N 349.478 4.267 0 40 EIAB CC[C@@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F 96415078 QTGBMCXMJQYULT-MEDUHNTESA-N 346.377 4.098 0 40 EIAB COc1cccc([C@H](NCc2cc(F)cc(F)c2)c2cccnc2)c1 97021669 KLHNYAHXMQAMJR-FQEVSTJZSA-N 340.373 4.248 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1nc3ccccc3o1)C2 105117770 ZOJYAXVXZMFELB-ODYMNIRHSA-N 344.480 4.251 0 40 EIAB CSCc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2C)cc1 106715233 CQSZPFMXDONGKI-UHFFFAOYSA-N 337.448 4.296 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)s1 214351895 DDFHNBDWNAPBMA-RIYZIHGNSA-N 333.409 4.432 0 40 EIAB COc1cc(CNC(=O)c2ccc(C)cc2C)ccc1OC(C)C 224984910 WUSMBWSWBHJSPR-UHFFFAOYSA-N 327.424 4.029 0 40 EIAB CCSc1ccccc1C(=O)NCC[C@@H](O)c1cccc(Cl)c1 225609038 JBKNPDXXEMBWQL-MRXNPFEDSA-N 349.883 4.306 0 40 EIAB Cc1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)n1 225872874 ZTDASLPQOMVPIF-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB COc1cccc(OC)c1CCC(=O)Nc1cccc(Cl)c1C 225995129 XDCCCDONXRLDMH-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CCOc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260788371 ZKMNCEOQANAPST-JEBQAFNWSA-N 339.464 4.070 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cccc1C 408558311 QLKMFFXMONDTDY-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccccc1OC 408679722 KMNCFOGEPXHROV-CQSZACIVSA-N 327.424 4.226 0 40 EIAB Cc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1Cl 408709176 PGODCVCBAAXGEF-UHFFFAOYSA-N 344.842 4.027 0 40 EIAB O=C(O)[C@@H]1CN[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 408979478 QZHKKSSRRKMXLP-QWHCGFSZSA-N 344.219 4.042 0 40 EIAB CCCN1C(=O)S/C(=C\c2cc(Cl)ccc2OCC)C1=O 409084155 BRTXTFFKHXEBPZ-LCYFTJDESA-N 325.817 4.185 0 40 EIAB CCN(C(=O)[C@@H](C)n1cc(C(C)=O)c2ccccc21)c1ccccc1 409198952 MRWAXUNENAMBLD-OAHLLOKOSA-N 334.419 4.458 0 40 EIAB CCN(C(=O)CC1CCC(C(=O)O)CC1)[C@@H](C)c1ccc(F)cc1 649242365 QFPUVHKGKBTOLH-HLIUYOAVSA-N 335.419 4.016 0 40 EIAB COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1F 1547212437 WTSXUVVTOOANMS-QGZVFWFLSA-N 343.398 4.443 0 40 EIAB Clc1ccc(NC2(c3noc([C@H]4CCCCO4)n3)CCC2)cc1 1616037407 ANPXTLOTAHNQHP-CQSZACIVSA-N 333.819 4.456 0 40 EIAB Cc1ccc(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)cc1 190530 XTNKAZIVASQQQG-UHFFFAOYSA-N 330.387 4.015 0 40 EIAB C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 482415 KSKOUMYMEYZNED-NSHDSACASA-N 337.202 4.351 0 40 EIAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)OC(C)(C)C)ccc12 2479750 UGHBMXYSBYCYRK-UHFFFAOYSA-N 346.423 4.165 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 3602972 POYUNNZUFFNRPV-MRXNPFEDSA-N 338.234 4.467 0 40 EIAB Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)c1 3902925 YPRCUPKLIUBNEQ-HNNXBMFYSA-N 345.826 4.229 0 40 EIAB CCCOc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 4591292 RAKLGEIKCBHISZ-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB COCCn1cc(NC(=O)N2c3ccccc3C[C@H]2C)c2ccccc21 5266463 OXQZGUHIEPZPPK-OAHLLOKOSA-N 349.434 4.271 0 40 EIAB Cc1cc(COC(=O)c2c3c(nc4ccccc24)CCCCC3)no1 5315807 VLJCSCXGCINXKM-UHFFFAOYSA-N 336.391 4.157 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 5471187 MGMWRRAEHODUET-UHFFFAOYSA-N 345.870 4.375 0 40 EIAB Fc1cc(Br)ccc1OCc1nnc(-c2ccccc2)o1 7006004 XJHSJVPKPZFVNJ-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 7217268 OOLBXCZSHCIECM-UHFFFAOYSA-N 347.461 4.041 0 40 EIAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(C)o1 7884877 BUTNUGJUWSQVHI-LJQANCHMSA-N 334.375 4.368 0 40 EIAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1 7909685 FXOIQELZGMXDDO-MRXNPFEDSA-N 337.448 4.072 0 40 EIAB COc1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 8704551 ZFCNAXQLWHQJEF-UHFFFAOYSA-N 343.452 4.323 0 40 EIAB CC[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1 10405763 KJCWOQZOTLHTPH-AWEZNQCLSA-N 328.803 4.094 0 40 EIAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nccs1 11246819 RAPGOZWSTDRWSP-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB CC(C)Oc1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 12235732 BQIMANMYQDFBOH-UHFFFAOYSA-N 342.420 4.120 0 40 EIAB COc1ccc(Cl)c(NC(=O)C2=Cc3ccccc3OC=C2)c1 12274539 FFAXJXTWWQQFME-UHFFFAOYSA-N 327.767 4.277 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1 12515233 ARQOGIYBHYTQET-UHFFFAOYSA-N 347.296 4.316 0 40 EIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1ccncc1 12528539 NMQJZISRAKQAQV-UHFFFAOYSA-N 338.794 4.420 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc23)cc1OC 12562647 CEUIDBRKBRJORE-PKNBQFBNSA-N 348.402 4.212 0 40 EIAB CSCC[C@@H](NC(=O)CC1CCCC1)c1nc2ccccc2[nH]1 12579723 PMSWBEKKIGZCKS-MRXNPFEDSA-N 331.485 4.054 0 40 EIAB Cc1cc2occ(CC(=O)Nc3nnc(C(C)C)s3)c2cc1C 12778641 TZADBVIULBKCAY-UHFFFAOYSA-N 329.425 4.206 0 40 EIAB CSc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 16985214 WGZDGULGZDTYJY-UHFFFAOYSA-N 327.449 4.095 0 40 EIAB Cc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1 17051475 ZSDZSHNDZOZFNV-UHFFFAOYSA-N 349.821 4.173 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(N)c1 19270174 LIRSZRKQUXQYOL-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB C[C@@H](CC(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1)n1cccn1 19455398 QBEHBQVVUACXTD-NWDGAFQWSA-N 331.803 4.111 0 40 EIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2)c1C 19557994 NZLOJSREOAMBFI-SFHVURJKSA-N 336.439 4.409 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)C1 20037758 WRXZAWCBAHPXSJ-GOSISDBHSA-N 336.479 4.191 0 40 EIAB Cc1n[nH]cc1CN[C@@H](C)c1cc2cc(Br)ccc2o1 38011138 WBHFBDAIPONBBM-JTQLQIEISA-N 334.217 4.078 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 38833604 YWHHABSVUOUUQC-SFHVURJKSA-N 340.442 4.293 0 40 EIAB COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)c(OC)c1OC 40007499 DMJJXCZPWRZWFS-CYBMUJFWSA-N 333.403 4.045 0 40 EIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478255 ZRGTYAGLIMKERK-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB CC(C)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770508 ISNDPKRQNMFLNW-CQSZACIVSA-N 326.278 4.484 0 40 EIAB Cc1noc([C@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 52993771 QLPWQUWDYKRJDC-JTQLQIEISA-N 346.818 4.113 0 40 EIAB CCN(C(=O)c1csc(C2CC2)n1)c1nc2ccccc2s1 58266979 XHVUOZLQDAMYKM-UHFFFAOYSA-N 329.450 4.297 0 40 EIAB O=C(Nc1ccccn1)c1sc(-n2cccc2)nc1-c1ccccc1 61718988 XVKXSWRAHBEUER-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB O=C(NCCc1coc(-c2ccccc2)n1)c1ccc(F)cc1Cl 69453457 ABWJTHCSFZKKDQ-UHFFFAOYSA-N 344.773 4.107 0 40 EIAB CN(CCC(F)(F)F)C(=O)c1cc(-c2cccc(Cl)c2)no1 69516024 WPSBVMACAIGQCZ-UHFFFAOYSA-N 332.709 4.019 0 40 EIAB CCCCS[C@H](C)C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 69774017 ZQOVXFKVBOQLFL-QWHCGFSZSA-N 349.525 4.304 0 40 EIAB O=C(CCCc1nc2ccccc2o1)N1CCC[C@H]2CCCC[C@@H]21 71828327 BFUPXUYQWFEELJ-WBVHZDCISA-N 326.440 4.332 0 40 EIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1NC1CC1 72213714 BGZQTTMGNMFITQ-SFHVURJKSA-N 337.423 4.130 0 40 EIAB O=C(O)C1(c2cc(-c3ccc(Br)cc3)on2)CCCC1 72220620 XSIXCKBSKSMRTI-UHFFFAOYSA-N 336.185 4.001 0 40 EIAB CC(C)c1nnc(CCC(=O)N2CCCC(C)(C)c3ccccc32)o1 89849645 USYKBPXNKDRXOP-UHFFFAOYSA-N 341.455 4.230 0 40 EIAB O=C(N[C@@H](c1ccc(F)cc1)C1CC1)N1CCC[C@@H]1c1ccc[nH]1 95397418 XQOIZYLHXYPMSM-QZTJIDSGSA-N 327.403 4.152 0 40 EIAB Cc1cccc2c1OCCC[C@H]2NCc1nccn1Cc1ccccc1 95423421 JSQILKVMBQOOIS-HXUWFJFHSA-N 347.462 4.243 0 40 EIAB c1ccc(OCc2nc3c4cc(-c5ccccc5)oc4ncn3n2)cc1 96194528 FZIQIOLIVRKCED-UHFFFAOYSA-N 342.358 4.117 0 40 EIAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@@H]2CC[C@@H](C1)N2C 100923375 GNYZYYFKNNJUQR-OALUTQOASA-N 326.484 4.296 0 40 EIAB CN(C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 104489310 RSPXLQCWKIXQLM-ROPHOZQPSA-N 337.548 4.233 0 40 EIAB CCc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104766161 KVAXIYYNHQZBGV-INIZCTEOSA-N 348.398 4.413 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 104816257 MZRMXSYFSJMQFA-DWRORGKVSA-N 327.468 4.207 0 40 EIAB Cc1ccccc1NC(=O)NCc1ccc(C(=O)c2ccco2)s1 211082677 MMLFULWBYGMLME-UHFFFAOYSA-N 340.404 4.202 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 219512150 JXCMMNXIPIQCFE-GOSISDBHSA-N 325.452 4.128 0 40 EIAB COc1cccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c1OC 222397386 GMAHKHUOKZIZNW-JYRVWZFOSA-N 349.308 4.215 0 40 EIAB O=S(=O)(Cc1ccccc1Cl)NCc1cccc2ccccc12 222860054 XLMHSVSSYZEHRH-UHFFFAOYSA-N 345.851 4.113 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 223026099 BQBGQJMKSJIXCM-UHFFFAOYSA-N 343.398 4.354 0 40 EIAB CCCOc1ccccc1CCCNC(=O)c1cc(C)ccc1C 223349763 KUDCTJXZFZHCDR-UHFFFAOYSA-N 325.452 4.455 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1C 224094721 WWZCHAODKGLADP-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cc2ccccc2o1 224687668 GQBMWMIFCJJPAR-UHFFFAOYSA-N 348.446 4.349 0 40 EIAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(C)c1C 224709646 YICGLWYPIQEMST-UHFFFAOYSA-N 347.480 4.238 0 40 EIAB Fc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)c(F)c1 225857313 DBFDBWKDSLZCIO-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB Cc1nc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)oc1C 253426292 GMRJUHXWKZZHLN-SFHVURJKSA-N 327.815 4.219 0 40 EIAB O=C1CCCCc2cc(C(=O)N3CCC(c4ccncc4)CC3)ccc21 290338286 DGLVPCUBDWMODF-UHFFFAOYSA-N 348.446 4.011 0 40 EIAB COc1cc([C@H]2NCCc3c2[nH]c2ccccc32)ccc1OC(C)C 99477 KQCQEDQQQAKBDX-HXUWFJFHSA-N 336.435 4.199 0 40 EIAB biogenic,in-vitro C[C@@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2c2ccc(Cl)cc21 209303 PYHHWEGRVRNGQT-RFAUZJTJSA-N 327.767 4.247 0 40 EIAB biogenic Cc1c(C(=O)OCc2nnc(-c3ccccc3)o2)oc2ccccc12 2618498 IVJJCFNTQSYPDL-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB Cc1cccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)c1C 2713202 FBJFTGVNXAHZON-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1cccc(O)c1 3901967 KHVQNQXHJFHAKJ-BUHFOSPRSA-N 340.382 4.262 0 40 EIAB O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 4110160 FYXFAIPUVOQFAX-INIZCTEOSA-N 337.366 4.480 0 40 EIAB CN(C(=O)c1ccco1)[C@@]1(c2ccccc2Cl)CCCCC1=O 4166637 WEOOMIYJBKQQHM-GOSISDBHSA-N 331.799 4.044 0 40 EIAB COc1ccc2nc(NC(=O)c3ccc(SC)cc3)sc2c1 4517569 UNPFBEZCFXMIDX-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1Cl 4570946 BEENUWXBDDBUKN-UHFFFAOYSA-N 336.778 4.092 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Cl 4703880 OYKXYBORFNNKGZ-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CCOC(=O)CC(=O)CSc1nc2cc(C)cc(C)c2cc1CC 4849452 VZISECGJMYHJOV-UHFFFAOYSA-N 345.464 4.028 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)OC/C=C/c2ccc3c(c2)OCO3)C1(C)C 5430852 URWLGILKUJFTEN-CDZANEANSA-N 328.408 4.210 0 40 EIAB CC[C@H](C)c1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5954063 OFOLNAZBRRZPJO-WJQTUJPDSA-N 343.467 4.124 0 40 EIAB COc1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6244682 VSHORLATXBADCD-UHFFFAOYSA-N 345.354 4.288 0 40 EIAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 6638942 YDTGXDPVOVASKX-ACJLOTCBSA-N 328.843 4.334 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)c2ccccc2)c1C 6787698 MKALXCRKZVEXJA-UHFFFAOYSA-N 346.430 4.354 0 40 EIAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)s2)o1 7196295 LULKNLBIOOIOKO-UHFFFAOYSA-N 340.813 4.328 0 40 EIAB Cc1occc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8093810 REJJUYOOMAOGEZ-ZDUSSCGKSA-N 326.421 4.218 0 40 EIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 8130936 OZJPWKIZVIVSQY-QGZVFWFLSA-N 340.467 4.079 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSC1CCCCC1 8477791 SHQXTHGOVUWJRJ-SFHVURJKSA-N 335.513 4.335 0 40 EIAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 8772561 DKMXVRHKWJHXBJ-UHFFFAOYSA-N 345.399 4.369 0 40 EIAB CCCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 8869484 NPCWIXFGWOIOLR-UHFFFAOYSA-N 337.379 4.168 0 40 EIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccs3)nc12 9140749 VACXZZAGXNPHFG-UHFFFAOYSA-N 347.490 4.101 0 40 EIAB NC(=O)Nc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 10031898 DGYIVNYHFDBFFH-UHFFFAOYSA-N 345.402 4.020 0 40 EIAB O=c1[nH]c(SCc2ccc(Cl)cc2Cl)nc2c1CCCC2 11905563 AGUAXFIXONTWPP-UHFFFAOYSA-N 341.263 4.248 0 40 EIAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccccc2Cl)C1 12119066 NODDJQCTXQGZGD-OAHLLOKOSA-N 342.826 4.085 0 40 EIAB CCCCC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 12350242 XMZJDYUXBVTMTE-WLYUNCDWSA-N 344.455 4.341 0 40 EIAB Clc1ccc(OCc2nc3n(n2)Cc2ccccc2-3)c(Cl)c1 12377176 CVSKSXOWKCRZNU-UHFFFAOYSA-N 332.190 4.193 0 40 EIAB FC(F)(F)c1cc(Cl)c2nc(CSc3ncccn3)cn2c1 12623953 FCLDOGSNYMRELU-UHFFFAOYSA-N 344.749 4.089 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c2ccccc12 12917310 RCSQQBZZHSWTDO-UHFFFAOYSA-N 326.827 4.413 0 40 EIAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]21 14410704 IGUDTNVZIOWVIV-IOMROCGXSA-N 330.468 4.097 0 40 EIAB biogenic,in-vitro C[C@@H](Cn1cncc1-c1cnn(C2CCCCC2)c1)N1CCCCC1 19719929 RRGLMRKLLFIOJU-KRWDZBQOSA-N 341.503 4.126 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1C 20025523 CFNVZWCZYRALRT-GFCCVEGCSA-N 348.240 4.257 0 40 EIAB CC(C)c1nnc(SCC(=O)Nc2cccc3ccccc23)o1 20034547 HKMSYUNQMFXLSC-UHFFFAOYSA-N 327.409 4.077 0 40 EIAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20141512 OVEBGJSDRFQJSM-UHFFFAOYSA-N 347.798 4.469 0 40 EIAB CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccs2)cc1 23079557 CSFGEIVFTGZIKI-CQSZACIVSA-N 345.464 4.377 0 40 EIAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(=O)[nH]c1 32983176 IXNONQCONQESNW-UHFFFAOYSA-N 330.343 4.040 0 40 EIAB C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccn1 37117652 BXJOICZHLZEIEJ-JTQLQIEISA-N 326.343 4.185 0 40 EIAB Fc1ccc(OCCCSc2nnc(Cc3ccccc3)o2)cc1 40159078 OKKGFHPMNYFOAS-UHFFFAOYSA-N 344.411 4.361 0 40 EIAB CCc1nc(NC(=O)c2ccc(COc3ccccc3)o2)sc1C 48366842 HVZZMVPGLCDGRP-UHFFFAOYSA-N 342.420 4.438 0 40 EIAB COCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1 56334805 ZGLZPTYNOLBGQZ-UHFFFAOYSA-N 334.803 4.318 0 40 EIAB CCN(Cc1cccs1)C(=O)c1c(C)nn(-c2ccccc2)c1C 60675685 WJCQFLFFHVZONN-UHFFFAOYSA-N 339.464 4.213 0 40 EIAB Cc1ccc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 65829239 LHIYPAQOKOOHHY-OAHLLOKOSA-N 337.423 4.005 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC 71807622 SBLBWAQGLWCKMS-AWEZNQCLSA-N 342.439 4.266 0 40 EIAB COc1cc(F)c(NC(=O)[C@@]2(C)CCCc3ccccc32)cc1OC 72270520 SZWONFMLRMBYMS-FQEVSTJZSA-N 343.398 4.076 0 40 EIAB Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccncc3)C2)c1 72358564 DXSQOAUITVYQKD-FQEVSTJZSA-N 344.462 4.227 0 40 EIAB Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccccc3)n2)nc1 72377359 DZRSPYJIVNKOLB-LJQANCHMSA-N 345.450 4.261 0 40 EIAB COc1ccccc1N1C(=O)/C(=C/c2ccco2)c2ccccc2C1=O 83980497 XKEBWTMRTAHIGM-GHRIWEEISA-N 345.354 4.016 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCC(CSc2ccccn2)CC1 85472309 CUXKSIRZKAEDEI-MDZDMXLPSA-N 338.476 4.126 0 40 EIAB CO[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1cccc(F)c1 96388186 JGULFOXJOWEQQK-MRXNPFEDSA-N 347.455 4.203 0 40 EIAB CCCC(=O)Nc1cccc(NC(=O)N[C@@H](CC)c2ccncc2)c1 96434146 CZJPWDSPSPTFSI-KRWDZBQOSA-N 340.427 4.093 0 40 EIAB COc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1Cl 97254822 YRYPQZHYOVIFOW-UHFFFAOYSA-N 331.755 4.356 0 40 EIAB CN1CCN(c2c3c(nc4ccccc24)[C@]2(C)CC[C@@H]3C2(C)C)CC1 100389087 GRIFRVOZXAODGO-AOMKIAJQSA-N 335.495 4.162 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(O)CCCC1=N2 102622972 BRSXHSPJJXJZSR-CYBMUJFWSA-N 346.481 4.432 0 40 EIAB COC(=O)c1cc(Br)ccc1OCc1ccccc1C 216805332 KZEVSFFBYGASGA-UHFFFAOYSA-N 335.197 4.123 0 40 EIAB COC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1 216887498 CMCQTHNNSGANMK-JXMROGBWSA-N 347.208 4.214 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 219602030 QOTSWBSSEQFNCL-GOSISDBHSA-N 329.827 4.477 0 40 EIAB Cc1ccccc1CSCCNC(=O)c1cc2ccccc2o1 219867461 WQSUWMJHYMEMEK-UHFFFAOYSA-N 325.433 4.404 0 40 EIAB Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)c(C)c1 222825980 AVTCUYFHEGHBJF-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccccc2c1 224543221 VFRJBGYAMMSYFN-OAHLLOKOSA-N 349.386 4.060 0 40 EIAB Cc1ccccc1CSCCNC(=S)Nc1ccccc1F 225360709 SDJUDTPFUOKXMV-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB Fc1ccc(CSCCCNC(=S)Nc2ccccc2)cc1 225613991 NCSQSOVUEDJOPU-UHFFFAOYSA-N 334.485 4.436 0 40 EIAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OC(F)(F)F)cc1 245225359 TUBKTVQKUHUFJP-TZQJONAQSA-N 327.346 4.199 0 40 EIAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260753011 APLYOUDTQPHMQJ-COXVUDFISA-N 326.469 4.053 0 40 EIAB CCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408975604 BDBUEJNCRVKNBA-UHFFFAOYSA-N 347.374 4.290 0 40 EIAB O=C(NC[C@H](c1ccco1)c1cccs1)c1c(F)cccc1F 585146706 FGAKBTBBGAVSAH-LLVKDONJSA-N 333.359 4.181 0 40 EIAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ncccc1F 1124451121 XUSCLPGBNAUUQL-UHFFFAOYSA-N 338.367 4.078 0 40 EIAB CCC(=O)c1ccc(OC(=O)COc2ccc(C(C)C)cc2)cc1 118153 KGKCKTSJDMBCFM-UHFFFAOYSA-N 326.392 4.387 0 40 EIAB COc1cccc(NC(=O)Nc2cc(C(F)(F)F)cc(Cl)n2)c1 165327 CRAAGESJZGNTQO-UHFFFAOYSA-N 345.708 4.406 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl 365549 KFYWQAYGTXMVTM-UHFFFAOYSA-N 344.842 4.287 0 40 EIAB Cc1ccc(-c2csc(SCC(=O)Nc3cc(C)on3)n2)cc1 1018858 NJSOBJMRNWCYRU-UHFFFAOYSA-N 345.449 4.146 0 40 EIAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 1388509 AKNHQYQOHSFFOD-MRXNPFEDSA-N 327.815 4.343 0 40 EIAB CCCCN(CC(=O)Nc1c(C)cccc1CC)C(=O)SCC 2182803 HJLKVBLWEWPNKY-UHFFFAOYSA-N 336.501 4.471 0 40 EIAB Cc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1C 2398747 GQHLMFOMYCGUER-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB COc1ccc2nc(NC(=O)c3ccc4ccccc4n3)sc2c1 2639758 WXIKZRXXCGEHCE-UHFFFAOYSA-N 335.388 4.105 0 40 EIAB CCc1cccc2c(C(=O)COC(=O)c3ccc(F)cc3F)c[nH]c12 2651181 WVIGXTCYAIYZCX-UHFFFAOYSA-N 343.329 4.048 0 40 EIAB COc1cc(C(=O)O)ccc1OCc1ccc(Cl)cc1Cl 3220771 NVHDYMQROKRTPK-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB Cc1sc2nc(SC(F)F)n(-c3ccccc3)c(=O)c2c1C 3276799 HDYRSBWOYFFXOU-UHFFFAOYSA-N 338.404 4.379 0 40 EIAB O=C(COC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2c1 3513639 QOHBUSYLRFJVOX-UHFFFAOYSA-N 341.366 4.428 0 40 EIAB Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 4601128 CBJIVTPCJAXLRR-UHFFFAOYSA-N 338.461 4.166 0 40 EIAB CCC[C@@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4651017 GWALBXYNXWJIGA-OFGIBPIPSA-N 347.524 4.350 0 40 EIAB O=c1oc2ccccc2cc1C1=NO[C@H](c2ccccc2Cl)C1 5604918 IEWYKBNGIYOQKZ-KRWDZBQOSA-N 325.751 4.312 0 40 EIAB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C 5910106 KYPBUMIKKBOXAK-BHYGNILZSA-N 329.440 4.166 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)cs2)c1 6126774 MJLPBPGPBMUEKR-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB CCOc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 6405756 TZVMHALJDHUCSL-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2c(=O)o1 6659604 DSRAQQQGHMYSHQ-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB O=C(COc1ccccc1)N(Cc1ccco1)Cc1ccccc1F 6747632 IDFBEFKEIGCBRJ-UHFFFAOYSA-N 339.366 4.027 0 40 EIAB O=C(COc1cccc(F)c1)Nc1nc(-c2ccc(F)cc2)cs1 7642064 XQXXCTUTDLVTDD-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB O=C(CSCc1ccccc1)N[C@H](c1ccccc1)c1ccco1 8391197 DYRAVWBJBOYQNF-HXUWFJFHSA-N 337.444 4.419 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 8959935 NLKMIKZEPVEZNW-UHFFFAOYSA-N 346.471 4.223 0 40 EIAB COc1ccc(Cc2n[nH]c(SCc3ccc(Cl)cc3)n2)cc1 9306166 ONFNCIFMQCPIBP-UHFFFAOYSA-N 345.855 4.350 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 9367041 PIRGNRSDKDBNQA-OAHLLOKOSA-N 349.434 4.020 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1onc2c1C[C@@H](C)CC2 11915439 VRNKCVUKILSALT-ZDUSSCGKSA-N 328.412 4.231 0 40 EIAB C[C@H](O)c1nc2ccccc2n1CCOc1cccc2ccccc12 12401971 LXOZEJAHRZNERA-HNNXBMFYSA-N 332.403 4.322 0 40 EIAB C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 12540753 DCQUWQYRKTWUQQ-LLVKDONJSA-N 347.340 4.002 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 12800234 AHFDGYBQZZJDJK-UHFFFAOYSA-N 347.418 4.319 0 40 EIAB Cc1ccc(CS[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 12913139 SDFUKOPYZXDNEK-AWEZNQCLSA-N 343.448 4.027 0 40 EIAB COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1 12955958 QWIGSMCPAKBYLY-UHFFFAOYSA-O 337.443 4.336 0 40 EIAB C[C@H]1CN(C(=S)c2ccccc2OCc2ccccc2)C[C@@H](C)O1 13547771 ZRDDSIBIXWVUSY-IYBDPMFKSA-N 341.476 4.050 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 13710226 PKWJVLFORDOUSO-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB COc1ccc(Oc2ccc(I)cc2)cc1 15020592 SGURKGRRNWCMQJ-UHFFFAOYSA-N 326.133 4.092 0 40 EIAB Cc1c(C(=O)Nc2ncc(Cl)cc2Cl)oc2c1C(=O)CCC2 16740207 FKWYJBNTEORSBZ-UHFFFAOYSA-N 339.178 4.061 0 40 EIAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(Cl)c1 18068387 SCIKWQAOHDOOCZ-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC(C)OCc1ccccc1CNC(=O)/C=C/c1ccc(F)cc1 30370436 WTWUPBMNYGSNKX-FMIVXFBMSA-N 327.399 4.080 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1csc(-c2ccsc2)n1 30975987 OYBWJUXBWVLEAJ-UHFFFAOYSA-N 340.473 4.333 0 40 EIAB Cc1cccc(OCCN(C)C(=O)c2cc3ccc(F)cc3s2)c1 36398086 FKRCDXWATUMOSY-UHFFFAOYSA-N 343.423 4.500 0 40 EIAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 38566792 BDBZSKZKXMUYMA-CQSZACIVSA-N 330.815 4.370 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCC2)cc1OC 40042743 XVOLYVHDQYSQSM-KRWDZBQOSA-N 331.456 4.338 0 40 EIAB CCc1ccccc1NC(=O)CNc1cc(C)nc2ccc(OC)cc12 40160659 YJEOIXJTFCVPHG-UHFFFAOYSA-N 349.434 4.165 0 40 EIAB O=C(CSCCCc1ccccc1)NCc1ccccc1Cl 48309318 AVDLRFICWWZMOC-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB Fc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1F 57721475 SYWYROCDNAPDFP-UHFFFAOYSA-N 342.374 4.348 0 40 EIAB CSc1cccc(NC(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)c1 58330754 PWFPMZFUHZYLAM-KSSFIOAISA-N 335.517 4.041 0 40 EIAB CC[C@@H](C)Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1 59332009 LAZPUPWUPHFSHZ-MRVPVSSYSA-N 327.862 4.334 0 40 EIAB COc1ccc(NCc2c(C)nn(-c3ccccc3)c2C)c(OC)c1 65154904 OMQULCKJIXMYRR-UHFFFAOYSA-N 337.423 4.118 0 40 EIAB COc1ccc(NC(=O)CNc2ccc(OCCC(C)C)cc2)cc1 66226932 MNHYJEWHOPSUDY-UHFFFAOYSA-N 342.439 4.171 0 40 EIAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2c1C 67048573 MRBSHFZRNCSKQT-HNNXBMFYSA-N 339.464 4.261 0 40 EIAB O=C(C[C@@H]1C=CCC1)N[C@@H](c1cccnc1)c1cc2ccccc2o1 69620297 MCVHUCFCSDFDEN-VFNWGFHPSA-N 332.403 4.390 0 40 EIAB Oc1ccc(C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 72097138 OIIIUXZDEYKEBX-UHFFFAOYSA-N 331.419 4.233 0 40 EIAB CNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c(C)n1 72219131 UTDURVZYFAEURB-GOSISDBHSA-N 339.439 4.296 0 40 EIAB COCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)ccc1F 72291380 OIPJVSVJLDAQRS-MRXNPFEDSA-N 348.443 4.104 0 40 EIAB CC[C@](C)(NCC(=O)N(c1ccccc1)C(C)C)c1nc(C)cs1 72305290 BNPITAOVXZXKGJ-IBGZPJMESA-N 345.512 4.108 0 40 EIAB COc1cc(C(=O)NCCC2=CCCCC2)nc2c(C)cc(F)cc12 72329494 ZTHKXPKKWUYXQY-UHFFFAOYSA-N 342.414 4.311 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 74896775 PGBTYGPMRZZONT-UKRRQHHQSA-N 348.491 4.182 0 40 EIAB O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccsc1 78966361 HNWYJPIJAISEKW-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)c2cccc(Cl)c2)C1 88365653 ADRSZIQSSXPARX-HIFRSBDPSA-N 325.836 4.021 0 40 EIAB CSC[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 89493478 UDYTYAMQBWJWDP-JTQLQIEISA-N 332.441 4.218 0 40 EIAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 89922274 NHKUBOHGHBABCN-FZKQIMNGSA-N 349.434 4.013 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 95939108 MBDMIBLYBUSVBC-YPMHNXCESA-N 333.457 4.084 0 40 EIAB Fc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 100987279 RVCRMXKVBCXYKO-HNNXBMFYSA-N 344.752 4.266 0 40 EIAB CC(C)[C@@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1 104725810 HSSZUDBDTGUJAR-DNVCBOLYSA-N 330.497 4.254 0 40 EIAB COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 216853657 JLQOYBPICAVGND-UHFFFAOYSA-N 341.190 4.368 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1C 222580361 LCNWRGBTZMRINI-AWEZNQCLSA-N 349.833 4.222 0 40 EIAB Cc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 222763844 XFZVYCDZNQLJJU-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccccc1 224152298 KQMXIYGWOCGVCH-IRXDYDNUSA-N 337.473 4.320 0 40 EIAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 224674979 SZQNJEXQMNGWFM-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 225458050 ATXPHBMHLLJXEA-LBPRGKRZSA-N 345.443 4.163 0 40 EIAB COc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cn1 225762721 BOAZBUZDANLLNN-KRWDZBQOSA-N 329.469 4.082 0 40 EIAB S=C(Nc1ccc2c(c1)OCO2)NC1(c2ccccc2)CCCC1 225851809 NSKAYKZEXQPHDQ-UHFFFAOYSA-N 340.448 4.171 0 40 EIAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 225861454 QLJSIBNKVUPNPI-UHFFFAOYSA-N 342.414 4.460 0 40 EIAB Cc1cccc(C2(NC(=S)Nc3cccc(C)n3)CCCC2)c1 225872898 FYOPBCLMOQCVBZ-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCO[C@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@@H](C)C1 225901026 OXETXLGTHPOHQY-JLTOFOAXSA-N 342.439 4.167 0 40 EIAB Cc1nnc([C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 252508900 XXCIGZQKWTYMHK-MNOVXSKESA-N 335.448 4.186 0 40 EIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@H]4C(=O)O 253389032 HITLMPHPGUZLGI-BNNKKCGOSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro CO[C@@H](c1noc(-c2cnn(C(C)(C)C)c2)n1)c1ccccc1Cl 274103664 TUCBZEMMBIMLKP-CQSZACIVSA-N 346.818 4.077 0 40 EIAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC)C1=O 409074799 RSKRQWUIXDCHBD-LFIBNONCSA-N 327.405 4.295 0 40 EIAB CCOc1ccccc1NC(=O)NCc1cncc(-c2ccoc2)c1 575619232 BHJZFWUUHJIMND-UHFFFAOYSA-N 337.379 4.062 0 40 EIAB COc1ccc2c(c1)CCN(C(=O)[C@H]1CC[C@H](C3CCC3)CC1)CC2 1128162640 UZCPMMQLWQBTLO-UAPYVXQJSA-N 341.495 4.229 0 40 EIAB CCO[C@@H](c1noc([C@H](C)Cc2ccc(C)cc2)n1)C1CCOCC1 1615571593 MRRLAQSFXAOENT-CRAIPNDOSA-N 344.455 4.228 0 40 EIAB CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc(C)cnc1C 1616042120 JPDSXWJUARSFPQ-UHFFFAOYSA-N 337.345 4.169 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)Nc1ccccc1F 1775968345 CMCWXCAGGWKTFC-CYBMUJFWSA-N 346.383 4.002 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)c(C)c1 569683 USQDTXHPCWBJRA-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB Cc1cc(NC(=O)c2ccco2)n(Cc2cccc3ccccc23)n1 1429208 DSTALIAIWWKQTP-UHFFFAOYSA-N 331.375 4.238 0 40 EIAB O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CC=CC1 2515904 GXEPLYDKLPYBOD-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB c1ccc(-c2onc3ccc(-n4cccc4C4OCCO4)cc23)cc1 3656000 ARZJYSTVCJAEKR-UHFFFAOYSA-N 332.359 4.331 0 40 EIAB COc1cc2[nH]c(=S)n(C3CCCCCC3)c(=N)c2cc1OC 4014567 RWYBANSVWMIWSK-UHFFFAOYSA-N 333.457 4.091 0 40 EIAB O=C(NCc1ccccc1F)c1cc(Br)ccc1Cl 6507491 OGKGKLDAHISZGI-UHFFFAOYSA-N 342.595 4.172 0 40 EIAB CCCOc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1OC 6510248 SUXNLGPBQUJXTN-UHFFFAOYSA-N 339.863 4.446 0 40 EIAB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 7071436 OPXHVTHZKVMIBK-NWFCWYBLSA-N 346.858 4.483 0 40 EIAB O=C(CSc1ncnc2ccccc12)N(C1=CCCCC1)C1CC1 7425007 VXRHTOZHICUMQG-UHFFFAOYSA-N 339.464 4.171 0 40 EIAB Cc1ccc(C)n1-c1cccc(C(=O)Nc2ccccc2C(=O)O)c1 7468222 XZLRPMIVMFCTJG-UHFFFAOYSA-N 334.375 4.045 0 40 EIAB COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 7723894 AAQPHKOBZBDRTK-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 8041264 JXXWOOFUFXKQFV-SFHVURJKSA-N 329.827 4.082 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)O[C@@H](C)C2 8748584 DUANUVSFCBOUPT-NSHDSACASA-N 331.799 4.314 0 40 EIAB Cc1c(-c2nc3ccccc3[nH]2)c(N)n(Cc2ccc(F)cc2)c1C 9421535 LMTLICNXDMMUHM-UHFFFAOYSA-N 334.398 4.418 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccccc1F 9827841 JUQIGQDLMRVOBP-UHFFFAOYSA-N 348.333 4.436 0 40 EIAB CCC[C@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 10148693 AENNHGFGLAPSTI-LBPRGKRZSA-N 325.368 4.371 0 40 EIAB CSc1ccccc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 10958380 CIAOCAMJWVQXJJ-UHFFFAOYSA-N 340.452 4.295 0 40 EIAB Cc1nn(C2CCCC2)c2nc(-c3cccs3)cc(C(=O)O)c12 12394295 GFBRNSONABEMEA-UHFFFAOYSA-N 327.409 4.282 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2ccccc2[nH]1 12486650 GPMHRTMVXDMMBT-UHFFFAOYSA-N 327.387 4.411 0 40 EIAB COc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc(OC)c1 12982838 VLLKQRAFCVHFQH-UHFFFAOYSA-N 348.402 4.327 0 40 EIAB CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 12993080 RANGERMMHJGWOL-DOTOQJQBSA-N 326.440 4.072 0 40 EIAB O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCCC1 13003322 BUCYOHOOKIQNEN-UHFFFAOYSA-N 336.366 4.384 0 40 EIAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)C[C@@H](C)O3 13563745 BRMLKIZRFZEURO-MRXNPFEDSA-N 348.446 4.417 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1SC 14093387 UHPKJXCOPKWGTI-UHFFFAOYSA-N 342.508 4.180 0 40 EIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccc(F)cc1 15019160 VSRQDZFZDGIJPC-OQLLNIDSSA-N 331.343 4.201 0 40 EIAB O=C(OCCOc1cccc(Cl)c1)c1ccc2ccccc2n1 15275836 OBHNWZZNVGGDTF-UHFFFAOYSA-N 327.767 4.124 0 40 EIAB O=C1Nc2cc(Cl)cnc2OC1(c1ccccc1)c1ccccc1 16477882 RFWZVJGDQSKTRH-UHFFFAOYSA-N 336.778 4.010 0 40 EIAB CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 17356831 HKOGLPMJIUUXIR-UHFFFAOYSA-N 342.464 4.405 0 40 EIAB CC(C)c1ccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1 19910808 MRVRTNUEUGXJOU-UHFFFAOYSA-N 340.814 4.296 0 40 EIAB Cc1cc(COC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)on1 24510029 JMROUBVKOACSMI-UHFFFAOYSA-N 349.386 4.188 0 40 EIAB CCCCOc1c(Cl)cc(C(=O)Nc2nonc2C)cc1Cl 27664139 JYQFDRQWZOHKFX-UHFFFAOYSA-N 344.198 4.116 0 40 EIAB CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 31070170 MRVLQPOIZYOKLI-UHFFFAOYSA-N 347.418 4.015 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(O)c(Cl)c1 31910183 PEWVHQUXXUVJQR-UHFFFAOYSA-N 341.794 4.008 0 40 EIAB COc1ccc([C@@H](O)[C@H](NCc2ccccc2)c2ccccc2)cc1 31961941 ZVOJPKQDEDCIGN-FGZHOGPDSA-N 333.431 4.260 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1Cl 32585617 WLLBNPVWLBNEAT-UHFFFAOYSA-N 347.823 4.303 0 40 EIAB C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccn1 32973727 YRQFXYDQQMDCKL-INIZCTEOSA-N 332.403 4.152 0 40 EIAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 39972123 ICKJEGYLXBSWDP-SNVBAGLBSA-N 334.778 4.121 0 40 EIAB CN(CCCCc1ccccc1)Cc1nc(-c2ccsc2)no1 48362018 PAZPGCUOBNHJJD-UHFFFAOYSA-N 327.453 4.253 0 40 EIAB O=C1C[C@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 61720430 QYSNQFPCVJBNHI-QMMMGPOBSA-N 341.310 4.101 0 40 EIAB C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)[C@H](C)[C@H]1C 68593225 QBFXTPLFVTYROG-LISAXSMJSA-N 332.488 4.056 0 40 EIAB CC[C@H](C)Sc1ccc(NC(=O)NC2CCN(C)CC2)c(C)c1 69561991 MBYBXGRXNPZQSH-AWEZNQCLSA-N 335.517 4.101 0 40 EIAB CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccncc1 69700229 PWRCOFMIAZXHIA-AWEZNQCLSA-N 331.847 4.416 0 40 EIAB CC(C)CCNC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 72055439 GAIIAYPOWVTDAS-UHFFFAOYSA-N 343.496 4.478 0 40 EIAB COc1cccc(CNC(=O)c2cc(OC(C)C)c3ccoc3c2)c1 72240172 WTADCWJRYWEDCC-UHFFFAOYSA-N 339.391 4.159 0 40 EIAB C[C@@]1(C(=O)NCc2nc3ccccc3s2)CCc2ccccc2C1 72302750 CWYNCHJXOHGNBC-HXUWFJFHSA-N 336.460 4.108 0 40 EIAB O=C(NC1CCCCC1)N(CCc1cccs1)Cc1cccnc1 75154744 CCQIPUZKRRNSAY-UHFFFAOYSA-N 343.496 4.230 0 40 EIAB CN(CCc1ccccn1)c1ccc(Br)cc1Cl 95915846 DBSKPTBYQQJINP-UHFFFAOYSA-N 325.637 4.176 0 40 EIAB O=C(c1ccc2ncsc2c1)N(CCc1cccs1)C1CC1 96120299 SODSAUDJIPNQNZ-UHFFFAOYSA-N 328.462 4.205 0 40 EIAB Cc1cccc(NC2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)c1 96421773 XMFKUKULIHDIKN-UHFFFAOYSA-N 344.842 4.071 0 40 EIAB CC(C)(C)CC(=O)N1CCC(Nc2ccccc2N2CCCC2)CC1 96495458 XHDABIHXUFPCEH-UHFFFAOYSA-N 343.515 4.126 0 40 EIAB CC(=O)OC[C@]12CO[C@H](CCc3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100741057 FVFIDPRIGRPKRH-SRBMLKMVSA-N 342.479 4.416 0 40 EIAB biogenic CC1=C(C(=S)Nc2ccc(C)cc2)[C@@H](c2ccccc2)NC(=O)N1 100857995 AXJZZAPTGSHFDB-QGZVFWFLSA-N 337.448 4.062 0 40 EIAB Clc1cccc(Cl)c1[C@H]1C=C(c2ccccc2)Nc2nnnn21 101113145 QYZPBYGJLFEBSC-CQSZACIVSA-N 344.205 4.036 0 40 EIAB O=C(O)c1cc(Cl)c(OCc2cccc3ccccc23)cc1O 216933607 KISZMJDIWRNENF-UHFFFAOYSA-N 328.751 4.476 0 40 EIAB COc1ccc(C(=O)N2CCS[C@@H](c3cccs3)CC2)cc1 219476580 YSDQJBOJTSBQFT-MRXNPFEDSA-N 333.478 4.077 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222902059 BGPGUMAHFCFJLG-IDJPSDCMSA-N 335.447 4.465 0 40 EIAB Cc1cccc(OCCNC(=O)CSc2ccc(Cl)cc2)c1C 223898853 LAWRPSUAKSALJE-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB COc1ccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225091562 JUNMSJUEAVFSSI-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(CC1CCCCC1)C2 225489573 RBCNSAJUMHPYCZ-SFHVURJKSA-N 328.456 4.106 0 40 EIAB biogenic,in-vitro COc1cc(C)c(C(=O)NCCCOC2CCCC2)cc1C(C)C 225666563 KAPIFLOUNXSZNN-UHFFFAOYSA-N 333.472 4.206 0 40 EIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 225700118 UOKUVQVLCPIPAX-IBGZPJMESA-N 337.460 4.026 0 40 EIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225882813 FSIVUMWHJJMAFA-IBGZPJMESA-N 330.428 4.023 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1 226861366 SGYCIUSIAOKVRM-UHFFFAOYSA-N 337.444 4.356 0 40 EIAB C[C@H](CN[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1nccs1 248742714 AIDCRVKUMDYKPU-OWYHZJEWSA-N 341.524 4.032 0 40 EIAB FC(F)(F)Oc1ccc(Br)c2nc(C(F)(F)F)[nH]c12 258840274 ZOZRBSDGIRONNE-UHFFFAOYSA-N 349.028 4.243 0 40 EIAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cccc(F)c1 390825869 KIVMBXFMDXUQHP-UHFFFAOYSA-N 339.395 4.047 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CSC(C)(C)C 390828437 BAUWNJWYPOYBCB-CVEARBPZSA-N 335.513 4.367 0 40 EIAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2CC(C)C)C1 585101865 JLIALHQJFPDFIQ-NRFANRHFSA-N 346.515 4.222 0 40 EIAB C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1Cc2ccc(O)cc2C1 1557563545 VYXZELMLFDZIRQ-INIZCTEOSA-N 346.430 4.153 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1OC 268344 FATGDEAAGCFYAL-CSKARUKUSA-N 331.799 4.318 0 40 EIAB biogenic O=S(=O)(c1cccs1)N(c1cccc2ccccc12)C(F)F 532662 ODXWTWMZGKFDKC-UHFFFAOYSA-N 339.388 4.319 0 40 EIAB Cc1cc(C)n2cc(-c3sccc3Cl)c(C(=O)N(C)C)c2n1 1382262 ZWSRMWRUXJIRMQ-UHFFFAOYSA-N 333.844 4.035 0 40 EIAB O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2c(ccc3ccccc23)O1 1394653 MWACKHFHQWTGPZ-IBGZPJMESA-N 337.806 4.113 0 40 EIAB CCC(CC)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 2216919 BLWAGHVTLDDIBZ-UHFFFAOYSA-N 339.848 4.145 0 40 EIAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(C)cc1 2450432 WSEVPASXFRDTAV-UHFFFAOYSA-N 337.448 4.248 0 40 EIAB COc1ccccc1CCC(=O)c1ccc(Br)c(F)c1 2516467 IEIMHRCOMYEVHE-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB Cc1ccc(-n2c(S)nnc2COc2ccccc2Cl)cc1 2582291 ZVIVZWQFCLTPAT-UHFFFAOYSA-N 331.828 4.097 0 40 EIAB COc1ccc(COC(=O)CCc2nc3ccccc3s2)cc1F 2623095 KBUUJHPAXUDSCJ-UHFFFAOYSA-N 345.395 4.120 0 40 EIAB CCc1cc2c(SCC(=O)c3ccccc3OC)ncnc2s1 3322423 OPWNWHFGQUWACA-UHFFFAOYSA-N 344.461 4.237 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c1 3329880 WIQGIVGEOWBBIA-JXMROGBWSA-N 328.795 4.396 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 3367341 CCLPHHHGGXQGQK-UHFFFAOYSA-N 336.435 4.363 0 40 EIAB Cc1c(C(=O)C(=O)N(Cc2ccccc2)C(C)C)c2ccccc2n1C 4062385 DVHJGWFLLLMREG-UHFFFAOYSA-N 348.446 4.107 0 40 EIAB CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)cc1C 4496466 BVOYICUWAUCRTG-UHFFFAOYSA-N 349.477 4.272 0 40 EIAB CC(=O)O[C@@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 4934835 CDGAJXKXQQRYAY-BXWFABGCSA-N 335.875 4.456 0 40 EIAB O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)s1 6473656 RPNGAGMHOGLTLX-UHFFFAOYSA-N 348.729 4.460 0 40 EIAB O=C(Nc1ccccc1N1CCCCC1)c1ccc2ccccc2n1 6583416 TUSHPFYWRIYJJN-UHFFFAOYSA-N 331.419 4.477 0 40 EIAB CC(C)=CCOc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1 6755037 KMRMNUKXSOXXEZ-UHFFFAOYSA-N 347.418 4.443 0 40 EIAB biogenic CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1OC 7655577 WZIIAGFNCCPCFD-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1 8275419 WBYYMHNUVXTHEA-UHFFFAOYSA-N 330.359 4.264 0 40 EIAB O=C(NC1CC1)[C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 8291289 RHRISVMUDIAWAF-MRXNPFEDSA-N 336.218 4.392 0 40 EIAB O=C(CN1CCc2sccc2C1)Nc1ccccc1-c1ccccc1 10341210 KSBAJVAWFRPPLA-UHFFFAOYSA-N 348.471 4.412 0 40 EIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc2ccccc2c1 10677101 UGMFDYQAGYHYDK-FQEVSTJZSA-N 337.444 4.269 0 40 EIAB COc1ccc(CCN2Cc3cc4ccc(C)cc4nc3OC2=O)cc1 12236790 YJFMYQSBLXNBIG-UHFFFAOYSA-N 348.402 4.109 0 40 EIAB CCCOc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1 12422377 DSNARMVXOYSPAG-UHFFFAOYSA-N 343.408 4.148 0 40 EIAB CC(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 12927551 KMTRZXZLEOWJKS-UHFFFAOYSA-N 325.408 4.153 0 40 EIAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 16225941 MSGJBXBPJDFSGP-OCVGTWLNSA-N 349.352 4.187 0 40 EIAB CCOC(=O)[C@@H](Sc1nc(C)c2c(n1)CCCC2)c1ccccc1 16682209 VVGKSVVHSFUXBZ-KRWDZBQOSA-N 342.464 4.060 0 40 EIAB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 18079742 RJNGZLUIYRWKQR-UHFFFAOYSA-N 339.435 4.043 0 40 EIAB O=C(Nc1ccc(F)cc1)Nc1ccc(Br)cc1F 19510660 LYFDJCVEFQWJFX-UHFFFAOYSA-N 327.128 4.371 0 40 EIAB COc1ccc(C(=O)Oc2cccn3cc(-c4ccccc4)nc23)cc1 20030705 BRSFFDSLDKUKTI-UHFFFAOYSA-N 344.370 4.229 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(NC(C)=O)cc1 20450810 IOPHEHIAQCDCQW-SFHVURJKSA-N 340.423 4.058 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1 20459503 NUJLGHWWNPVQIJ-LBPRGKRZSA-N 338.234 4.419 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1 20486222 DBHBVQKSOBUYPA-MRXNPFEDSA-N 327.424 4.040 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20489541 YRIJILJADLJFLG-WOJBJXKFSA-N 341.451 4.429 0 40 EIAB CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2ncsc2c1 21962110 AWUQTNXYZYOROK-UHFFFAOYSA-N 346.839 4.101 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cnc21 25995163 BTFIHOWTGMEPDX-IIDMSEBBSA-N 340.471 4.101 0 40 EIAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccccc1 28247259 UXOJOUTYISYHNO-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB C[C@@H](Cn1cccn1)Nc1nc(-c2cccs2)nc2ccccc12 29624298 YLLCIGIAJIJWIC-ZDUSSCGKSA-N 335.436 4.055 0 40 EIAB O=C(CSc1cccc2ccccc12)Nc1ccc2c(c1)OCO2 32696135 VTMMLDGUFBEPEV-UHFFFAOYSA-N 337.400 4.299 0 40 EIAB Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cn1 32753664 WMWJGEYUJONOHQ-UHFFFAOYSA-N 348.450 4.185 0 40 EIAB O=C(Nc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35314242 SHMAFLJWVBQRMS-IHWFROFDSA-N 335.451 4.004 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38849647 WSJIKSDPIHPTCO-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)C)c(OC)c1 40023992 XEKHYFDAFIUEHQ-INIZCTEOSA-N 334.441 4.284 0 40 EIAB O=C(NCc1cccs1)N(Cc1ccsc1)Cc1ccccn1 44446193 OEHGGPYYIXWBNB-UHFFFAOYSA-N 343.477 4.117 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccc(-n2cc[nH]c2=S)cc1 47572498 KIGDWCLLKWRVJH-UHFFFAOYSA-N 346.415 4.335 0 40 EIAB O=C(Nc1cccc2c1ccn2Cc1ccccc1)c1cccnc1 61719003 YPKXVVHIVDCREU-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3CCSc4ccccc43)cc2)n1 68731071 CUCNGYBLAMISLP-UHFFFAOYSA-N 349.459 4.242 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216039 ISVTUFNGMVIKQN-MRXNPFEDSA-N 331.460 4.144 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 79350414 IDWPBFMGJMQPSR-LJQANCHMSA-N 345.418 4.138 0 40 EIAB CCOC(=O)c1sc(Br)nc1-c1cc(F)cc(F)c1 85224023 SLSWPHIDZMRDBP-UHFFFAOYSA-N 348.168 4.028 0 40 EIAB O=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@H]1CCCOC1 87389823 JUJCERULXVTZDW-INIZCTEOSA-N 337.341 4.023 0 40 EIAB CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1ccccc1F 89356043 IILHQBLLUPDWIS-LJQANCHMSA-N 329.415 4.016 0 40 EIAB Cc1ccccc1N(C(=O)CCc1nnc(C2CCCC2)o1)C(C)C 89690467 LNFWQSGCWQGFLG-UHFFFAOYSA-N 341.455 4.410 0 40 EIAB COc1ccc(CCNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 95460767 QDLHRXZHSJYUTK-UHFFFAOYSA-N 335.407 4.055 0 40 EIAB Cc1cc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c2ncccc2c1 95984892 XQQMWNUTBFCHSX-QGZVFWFLSA-N 349.438 4.252 0 40 EIAB CC(=O)CCCCCCC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 96013414 BBBNBDBORACNPZ-OAHLLOKOSA-N 333.428 4.179 0 40 EIAB CN(C)c1cccc([C@H]2CCCN2C(=O)CCc2ccsc2)c1 96410182 AZHNLLRHVXMADI-GOSISDBHSA-N 328.481 4.110 0 40 EIAB CCSc1ccc(Cl)cc1NC(=O)N(C)C1CCOCC1 96445967 UOIMSVCYUJFAEX-UHFFFAOYSA-N 328.865 4.095 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 108870008 IFRSYECQIYCSLQ-MNXVOIDGSA-N 342.266 4.313 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1C 113960016 YXVIDVWYGMWUST-YJBOKZPZSA-N 329.415 4.477 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 113970106 SAFLDLBWRGZZPQ-QGZVFWFLSA-N 327.424 4.498 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1nccs1 153823687 ZCCPGIFSADKBDB-ZETCQYMHSA-N 345.649 4.050 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)s1 214248209 CGCORTKDYGIWGX-RIYZIHGNSA-N 333.409 4.432 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(Cl)c2)S1 222580769 DEEMIZKCPKMIGA-GTTSAUCSSA-N 345.855 4.030 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)Cc3cccs3)cc2)no1 222959717 RIEDILLTLQQQAF-UHFFFAOYSA-N 341.436 4.027 0 40 EIAB COc1ccccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225096729 CWYLZTPWCJLZMN-SFHVURJKSA-N 328.408 4.067 0 40 EIAB CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=NN2C(C)=O)c1 226817935 UELVOMNSVBXCBE-NRFANRHFSA-N 336.435 4.345 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)NCCn1ccc2ccccc21 604404068 BESFNAZTOABXLI-UHFFFAOYSA-N 345.446 4.262 0 40 EIAB biogenic FC(F)(F)c1ccc2nc(C(F)(F)F)c(Br)n2c1 642881992 QYWIGZFXHIRQCN-UHFFFAOYSA-N 333.029 4.134 0 40 EIAB O=C(CC1CCCCC1)Nc1nnc(COc2ccccc2F)s1 416605 QMPLRCKPBBXYQV-UHFFFAOYSA-N 349.431 4.165 0 40 EIAB CCOc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1 525924 ROXBYHDCTKAQQG-UHFFFAOYSA-N 328.441 4.299 0 40 EIAB Cc1cccc(C(=O)N2C3=C(CCCC3)C(=O)NC23CCCCC3)c1 1443470 KIPVHUGQWFJRBD-UHFFFAOYSA-N 338.451 4.056 0 40 EIAB CCOC(=O)c1sc(Nc2cc(Cl)ccc2OC)nc1C 2561874 YXWPBPUTYYDMQT-UHFFFAOYSA-N 326.805 4.034 0 40 EIAB Clc1ccccc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 3264262 CAQZMBUYOUDTOJ-UHFFFAOYSA-N 346.795 4.411 0 40 EIAB CC[C@H](C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1)c1ccccc1 3628936 VCSLAJAFVDYRDD-IRXDYDNUSA-N 345.826 4.166 0 40 EIAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(F)cc2)N3)C1 4554041 ZDDJCQPFKWLWQJ-INIZCTEOSA-N 345.443 4.083 0 40 EIAB Cc1cccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)c1 5013473 NXAZEMYYWZEJOL-UHFFFAOYSA-N 338.366 4.245 0 40 EIAB O=C(OCCCc1cccnc1)C1c2ccccc2Oc2ccccc21 5200947 WTIUQDWGEVVOEX-UHFFFAOYSA-N 345.398 4.495 0 40 EIAB COc1cc(C)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1OC 5616553 MDLCKJJTBCRGGN-UHFFFAOYSA-N 345.826 4.336 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc2ccccc2n1 5627398 BFJCLTSLAVZHKC-AWEZNQCLSA-N 334.444 4.305 0 40 EIAB CCCOc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 5865032 MGWALAKWDATFTE-UHFFFAOYSA-N 340.423 4.322 0 40 EIAB COc1ccc(N2C(=O)c3ccccc3N[C@]23C[C@H]2CC=C[C@@H]23)cc1 5867976 LCYMPMHYRUSCCD-YMTYPPQLSA-N 332.403 4.060 0 40 EIAB O=c1c2ccccc2nc(SC[C@H]2CCCCO2)n1C1CCCC1 6531225 LIUMBRLXEFDVKR-OAHLLOKOSA-N 344.480 4.173 0 40 EIAB CCc1ccc(N(CC(=O)c2cccs2)C2=NCCCS2)cc1 6870973 ACGNJDVODCQWHI-UHFFFAOYSA-N 344.505 4.493 0 40 EIAB CC(C)(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)on1 7454505 RVSRJZBRTLZDKB-UHFFFAOYSA-N 338.860 4.497 0 40 EIAB Cc1ccc(C)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 7849988 RRIUZCQPJCESLM-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB COc1ccc(Br)cc1-c1nc(C)c(C(C)=O)s1 7977991 FSSWLSLJMGFYQR-UHFFFAOYSA-N 326.215 4.092 0 40 EIAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(C)ccc2OC)cc1 8082681 OLFGHQKMZLXYDN-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB COc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 8296899 MVVMGQPBQSWUEZ-UHFFFAOYSA-N 336.416 4.005 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1C 8478281 WPYVVYDRESUVRL-HNNXBMFYSA-N 333.815 4.453 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1SC 8500061 PYGQCHBNUGWXSH-AWEZNQCLSA-N 331.437 4.213 0 40 EIAB CCOc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 10995141 PSAOGYQUSQHZNC-UHFFFAOYSA-N 335.403 4.047 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1cccc(C(F)(F)F)c1 11510363 UTKCHHUVASRLMO-UHFFFAOYSA-N 345.267 4.237 0 40 EIAB COc1cc2nc(Cl)nc(N[C@@H]3CCCC[C@@H]3C)c2cc1OC 11756459 BUYSVTILNANQOD-CMPLNLGQSA-N 335.835 4.291 0 40 EIAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2NC1=O 12602190 KTGBMIWQLAQKRB-SECBINFHSA-N 332.812 4.025 0 40 EIAB CC[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 12933041 QSPRCYNLGQEUDT-SJLPKXTDSA-N 329.827 4.219 0 40 EIAB O=C(Nc1cc(F)ccc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 14260750 ZDOPPKDZQZUTQN-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl 16046732 YCOZMHIEVHOUNZ-NSHDSACASA-N 327.767 4.100 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 16301161 LSUQKDZWWPLYKG-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB Cc1nn2c(=O)cc(Cc3ccccc3)[nH]c2c1-c1ccc(Cl)cc1 18045842 JWDXZUWHZITSRD-UHFFFAOYSA-N 349.821 4.242 0 40 EIAB CCSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 20112014 AKQISDSIWADHRF-UHFFFAOYSA-N 327.858 4.253 0 40 EIAB O=C(O)c1ccc(CNC(=O)c2cccc3c(Cl)cccc23)cc1 20138981 VZYOFAYYABMQFQ-UHFFFAOYSA-N 339.778 4.121 0 40 EIAB C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)[C@@H](O)c1ccccc1 20312649 RRGVCYTYQVAYDT-JLTOFOAXSA-N 325.383 4.297 0 40 EIAB Cc1ccc2cc(C(=O)Nc3cccc(-c4nnco4)c3)c(C)nc2c1 24741610 DYDZSMMSQFRXMB-UHFFFAOYSA-N 344.374 4.154 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc2cccnc12 27977038 MFLFTVUVRXOOFO-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CCc1ccc(Cn2nccc2NC(=O)CCc2ccsc2)cc1 29766230 HHSUPNDBCDKBOH-UHFFFAOYSA-N 339.464 4.127 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NC2CCCCCC2)cc1OC 30854312 NUQWLVXOBGXBEC-CYBMUJFWSA-N 337.485 4.023 0 40 EIAB Cc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)no1 32780999 DUARQYPTEYKLGX-UHFFFAOYSA-N 331.375 4.243 0 40 EIAB CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 40120668 XYPPROXWUPMPDR-CYBMUJFWSA-N 327.384 4.138 0 40 EIAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)oc2c1C(=O)CCC2 40131644 OCNNMXDKJVBDKI-SFHVURJKSA-N 343.398 4.373 0 40 EIAB CN(C)C(=O)c1csc(C(=O)CSc2ccccc2Cl)c1 58484385 KVTWIZVIMMFNJP-UHFFFAOYSA-N 339.869 4.078 0 40 EIAB O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F 58745447 XJWXDYZPIJITHZ-LBPRGKRZSA-N 334.700 4.038 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(Cl)s1 60643436 ZXNDCDHZSOLXLC-MRXNPFEDSA-N 328.824 4.316 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1Cl 63021012 DERUCDDJWCQKKA-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CCOC(=O)c1c(CN2CCC[C@@H]2c2ccc[nH]2)oc2ccccc12 64557255 OUDQVAVVTMRPAP-MRXNPFEDSA-N 338.407 4.275 0 40 EIAB CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(F)c(F)cc1Cl 68026381 BSRFESQCHACYBD-UHFFFAOYSA-N 338.741 4.137 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccs1)c1nc(-c2cccnc2)cs1 69654990 AGXYWEGSPNUFQI-NNNHXZLVSA-N 341.461 4.157 0 40 EIAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)/C=C/c1ccncc1 69776041 MBNYVBBDUQIFSO-JXMROGBWSA-N 344.418 4.105 0 40 EIAB COc1cccc(OC)c1[C@H]1CCCCN1C(=O)c1ccccc1 72221455 BNPAGDRADVVBRW-MRXNPFEDSA-N 325.408 4.071 0 40 EIAB O=C(O)c1ccc2nc(-c3ccccc3Br)sc2c1 73740374 SMLSCIVEJHKZKL-UHFFFAOYSA-N 334.194 4.424 0 40 EIAB O=C(c1csc(-c2ccsc2)n1)N1CCSc2ccncc21 75108843 ZPJHCPBGWACKRV-UHFFFAOYSA-N 345.474 4.019 0 40 EIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(C2CCCCC2)cc1 84393512 KLMWUHATEPWDML-UHFFFAOYSA-N 336.391 4.421 0 40 EIAB C[S@@](=O)Cc1cccc(NCc2csc(-c3ccsc3)n2)c1 89493165 CEGVXLMBNYOSHG-QFIPXVFZSA-N 348.518 4.362 0 40 EIAB O=C(Nc1nc(C2CC2)cs1)c1ccc(Oc2cccnc2)cc1 89794086 IKXNATMIYVZPNJ-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB CN(Cc1cnccn1)C(=O)Nc1cccc(CSC(C)(C)C)c1 95398412 FNVSHZRSJBUDMW-UHFFFAOYSA-N 344.484 4.172 0 40 EIAB O=C(CCCc1ccccn1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 95412751 ZVSLEFDUBNBAKS-SIKLNZKXSA-N 334.463 4.332 0 40 EIAB Cc1ccc2c(c1)OCCC[C@@H]2NCc1nccn1Cc1ccccc1 95423414 SSGRQHSRJZVBJH-FQEVSTJZSA-N 347.462 4.243 0 40 EIAB Cc1ccc2c(c1)N(C(=O)c1ccc(OC(F)F)cc1)CCCO2 95458304 LYZSXQKLFOPWHS-UHFFFAOYSA-N 333.334 4.026 0 40 EIAB Cc1cccc2c(N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)ncnc12 95970957 YIDDBNFYGIDHBW-CQSZACIVSA-N 346.434 4.460 0 40 EIAB C[C@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@@H]1c1ccccc1 96411493 CKVKMXUGIBCJGF-DYVFJYSZSA-N 341.436 4.008 0 40 EIAB CC(C)C[C@H](N)C1(c2ccc(I)cc2)CCC1 204379276 OGXBPSHXFXKKPI-AWEZNQCLSA-N 343.252 4.086 0 40 EIAB NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216814944 IKAGOFOUZJSNMQ-UHFFFAOYSA-N 330.598 4.325 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c1 219065352 BJTAXIQYBGNYBZ-INIZCTEOSA-N 345.870 4.473 0 40 EIAB CCCOc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 223782288 YAJXWUGHUJDOML-UHFFFAOYSA-N 341.451 4.408 0 40 EIAB C[C@H](CCc1ccccc1)OC(=O)c1snnc1-c1ccccc1 223832240 RXOJIWFQZYGSLX-CQSZACIVSA-N 338.432 4.383 0 40 EIAB CCc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224283597 BWEMQTWFIZGGST-UHFFFAOYSA-N 337.354 4.223 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1 224700224 OTSKOYKARQMFJX-UHFFFAOYSA-N 345.464 4.142 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 227157229 REDCDPXIAJADKF-UHFFFAOYSA-N 349.228 4.072 0 40 EIAB CCc1cc(Cc2cc(C)c(NC=O)c(CC)c2)cc(C)c1NC=O 255188158 ISTZDTPFNHTVKR-UHFFFAOYSA-N 338.451 4.156 0 40 EIAB CCOc1ccc(Nc2nnc(C)n2-c2ccc(OCC)cc2)cc1 255189142 NZZSQNPLQSNNKA-UHFFFAOYSA-N 338.411 4.117 0 40 EIAB FC(F)(F)[C@H](NCc1nc(C2CC2)no1)c1cccc2ccccc12 390834323 WFRBFWXGLVTYJW-MRXNPFEDSA-N 347.340 4.493 0 40 EIAB COc1cccc2cc(C(=O)Nc3cccc(OC(C)C)c3)oc12 408702758 OEGWAADXMBLLDJ-UHFFFAOYSA-N 325.364 4.481 0 40 EIAB O=C(Nc1cccc(Br)c1)c1nc2ccccc2s1 409190560 SFYNETSZPGGKBX-UHFFFAOYSA-N 333.210 4.311 0 40 EIAB CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(C(F)(F)F)c1O 622637929 JZGCLOKXMVXMTF-MRXNPFEDSA-N 329.362 4.452 0 40 EIAB Cc1ncc(CN(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)o1 628163942 YLCYPAUUPKTSFC-UHFFFAOYSA-N 328.412 4.047 0 40 EIAB O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1cccs1 31598 IADRVNGFKPLMPC-UHFFFAOYSA-N 335.428 4.104 0 40 EIAB C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21 34891 VJPQGQKYEPPMAS-NSHDSACASA-N 336.218 4.350 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)c(OC)c1 147294 VODMIGPFZHFACN-WUXMJOGZSA-N 341.407 4.143 0 40 EIAB CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2 318043 XWFPUACSRCJVRT-UHFFFAOYSA-N 349.477 4.046 0 40 EIAB COc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC 360228 HYQDZOJHGOMQRZ-UHFFFAOYSA-N 326.440 4.306 0 40 EIAB CCSc1nnc2c3c4c(sc3nc(CC)n12)C[C@H](C)CC4 413753 ZEMDKDGZTMRKDC-SECBINFHSA-N 332.498 4.138 0 40 EIAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccccc1 1008338 NSQSLUMQTFSUPG-UHFFFAOYSA-N 325.389 4.280 0 40 EIAB CSc1ncc(Br)c(NCc2ccccc2Cl)n1 1678982 OJPGWKIRDSIPNI-UHFFFAOYSA-N 344.665 4.227 0 40 EIAB Cc1ccc(C)c(CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 2427651 OYYIYJQQPULNTB-UHFFFAOYSA-N 344.871 4.221 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NC12CC3CC(CC(C3)C1)C2 4018893 GHOXRAGOADNXRY-UHFFFAOYSA-N 336.435 4.349 0 40 EIAB CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4082033 DVBAEBPCDUVZPB-ZBWDDEHUSA-N 342.479 4.245 0 40 EIAB biogenic Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4292015 WWJVOGUSXDDUAQ-FPOVZHCZSA-N 345.377 4.463 0 40 EIAB CN(C(=O)c1ccccc1C(=O)OCc1ccccc1)c1ccccc1 4789988 BGDHZLPDPYQYJN-UHFFFAOYSA-N 345.398 4.320 0 40 EIAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Cl)CC2)c1 9062995 QQXIIHCGVJGWNP-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB O=C(c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)N1CCCC1 12792379 VQKIGZVWEACHFG-UHFFFAOYSA-N 341.798 4.022 0 40 EIAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 12809201 QQFMOLYMULISNT-FQEVSTJZSA-N 349.430 4.447 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1ccc(C)c(F)c1)O[C@@H](C)C2 12995557 OWAXWOPIGSKANU-LBPRGKRZSA-N 329.371 4.109 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 13895738 BNOLFOWFYPHRSU-UHFFFAOYSA-N 341.407 4.295 0 40 EIAB O=C(NCCc1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2 14186486 LLZGPLOCNATPOL-UHFFFAOYSA-N 349.421 4.163 0 40 EIAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(OC3CCCC3)cc2)SC1 20734958 YUJVXOQZXOIEDH-MRXNPFEDSA-N 329.425 4.155 0 40 EIAB O=C(NCc1cccs1)c1cccc(OCc2ccc(F)cc2)c1 24094359 OKPAUCIVZCPQCD-UHFFFAOYSA-N 341.407 4.396 0 40 EIAB COCc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl 25305287 MMQGBXWKDPUZCB-UHFFFAOYSA-N 342.197 4.209 0 40 EIAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1nc(Cl)ccc1Cl)CC2=O 26919489 MGVWFKUDPOGXPZ-CVEARBPZSA-N 341.238 4.112 0 40 EIAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(SC(F)(F)F)cc1 30263412 SSODUMGGLVXYSW-NSHDSACASA-N 340.370 4.317 0 40 EIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1 31240956 MWBAQCZJLBMVIT-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CCCn1c(NC(=O)c2cc3cc(F)ccc3[nH]2)nc2ccccc21 32760181 CUAQYZTYMXHZGC-UHFFFAOYSA-N 336.370 4.319 0 40 EIAB Brc1ccc(CNc2ccc(Br)cn2)cc1 42316099 LCDCICXTLFRVDC-UHFFFAOYSA-N 342.034 4.219 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 44841006 MEFXBXNHFWWPOF-BEFAXECRSA-N 327.424 4.038 0 40 EIAB COCCOC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 45917003 UHZOLFGCTMNATR-UHFFFAOYSA-N 337.375 4.120 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)Nc1cccc(OC(F)F)c1 47908565 AFLDESGZFGHQCY-UHFFFAOYSA-N 332.350 4.141 0 40 EIAB COc1ccc2cc(C(=O)NCC3(c4ccccc4)CCC3)[nH]c2c1 48272417 ZQJGFOKRVXDKJH-UHFFFAOYSA-N 334.419 4.028 0 40 EIAB COc1cc2ccccc2cc1-c1nc2cc(-n3cnnc3)ccc2o1 57326836 FEFCKTPFEYINAG-UHFFFAOYSA-N 342.358 4.237 0 40 EIAB C[C@H](NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl 58144710 FJNBLSCYBRAUIU-NSHDSACASA-N 348.233 4.221 0 40 EIAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccc(F)cc1 58157885 FFWIBCSIFAAZFF-CQSZACIVSA-N 336.410 4.386 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C 65739917 ONHDZISBUHMLLJ-HKUYNNGSSA-N 337.467 4.035 0 40 EIAB CC(C)(C)C1CCC(C(=O)Nc2cc(-c3ccncc3)n[nH]2)CC1 72256121 WXJXLYYOIQQPHF-UHFFFAOYSA-N 326.444 4.263 0 40 EIAB CC(C)OC1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 72271255 KBLSTTOOVGALKL-UHFFFAOYSA-N 346.496 4.035 0 40 EIAB CCCC(=O)NCC(=O)Nc1ccc(-c2ccc(CCC)cc2)cc1 72287615 LXCRVHPSSKNOKD-UHFFFAOYSA-N 338.451 4.161 0 40 EIAB C[C@@H](Cc1ccc2ccccc2n1)Sc1nnnn1C1CCCC1 72312951 LBYDYOCVQUEIKL-ZDUSSCGKSA-N 339.468 4.060 0 40 EIAB C[C@H](NC(=O)N(C)[C@H](C)c1ccncc1)c1ccc(F)cc1Cl 77669980 KVTZTYGQNJSRSS-NWDGAFQWSA-N 335.810 4.338 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N(C)Cc3ccccn3)cc2)n1 78394987 DCLWTCYWWZAHEE-UHFFFAOYSA-N 338.436 4.177 0 40 EIAB Cc1cccc(OCCN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 84211230 IDTSQRJVDUOLCZ-UHFFFAOYSA-N 327.468 4.049 0 40 EIAB Cc1nc(CN(C)[C@H](c2cccnc2)c2ccc(F)cc2F)oc1C 95397243 AIVAOERLLGRHKY-LJQANCHMSA-N 343.377 4.186 0 40 EIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1c(F)cccc1NC1CC1 95413003 DGXQXRROTQTHEL-UHFFFAOYSA-N 344.361 4.141 0 40 EIAB Cn1cc(CNc2cccc(-c3nccs3)c2)c(-c2cccnc2)n1 95428740 VBZOXONBXFTXIM-UHFFFAOYSA-N 347.447 4.218 0 40 EIAB C[C@@H]1C[C@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 95458253 FMUJCOXACXOINZ-HZPDHXFCSA-N 345.487 4.002 0 40 EIAB COc1ccccc1NC(=O)c1cccc(Oc2nccs2)c1 95960487 OFMFIODGUXRPQV-UHFFFAOYSA-N 326.377 4.196 0 40 EIAB COC[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2SC(C)C)C1 96418060 SXFFTXCDXLODLO-GFCCVEGCSA-N 342.892 4.341 0 40 EIAB O=C(c1cc2c(C(F)(F)F)n[nH]c2c2ccccc12)C(F)(F)F 100040948 WRXMHIGGGYQBLJ-UHFFFAOYSA-N 332.203 4.480 0 40 EIAB CCCCn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc(O)cc1O2 101110503 MPACTYXRBYJAIV-GOSISDBHSA-N 347.418 4.154 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 102663451 KFEYCAWZKFNMCH-HNNXBMFYSA-N 344.415 4.201 0 40 EIAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccc(O)cc1 102721845 FPTUMQWMWDYLDF-UHFFFAOYSA-N 349.415 4.282 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1Cl 223421930 UXZDZMJYNCTJOY-OAHLLOKOSA-N 345.826 4.381 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(Cl)c1 223664276 HGJWCWVRUWNSMX-UHFFFAOYSA-N 331.843 4.446 0 40 EIAB CC(C)c1ccc(OCC(=O)NCCOc2ccccc2Cl)cc1 224265361 XBOKPFXXBGGRGT-UHFFFAOYSA-N 347.842 4.037 0 40 EIAB COCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC 224397336 JIQNUHKXVZUIJV-UHFFFAOYSA-N 340.206 4.401 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)CCc2ccc(F)cc2)c1 225681312 XGLHSTKZPTVFSN-UHFFFAOYSA-N 343.442 4.295 0 40 EIAB Cc1cccc(C2(NC(=S)Nc3cc(C)ccn3)CCCC2)c1 225873338 QTBYLCILFKOJRV-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@](C)(CCCC)OCC)cc1C 225896873 ODMSPCRVDXJCKB-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCc1nocc1CN(C)C(=O)c1cc(C)n(C2CCCCC2)c1C 331729386 OQXOEJYXDGCYFN-UHFFFAOYSA-N 343.471 4.433 0 40 EIAB O=C(NCC1(c2ccccc2)CCCCC1)c1cccc(O)c1F 1629091707 FIAWAVBEEQJNGR-UHFFFAOYSA-N 327.399 4.163 0 40 EIAB CCOc1ccc(C(=O)C[C@@H](SC2CCCCC2)C(=O)O)cc1 44551 INHUZLKXQZRMLW-QGZVFWFLSA-N 336.453 4.177 0 40 EIAB Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1Cl 484239 UDOWYIRLNWCXTJ-UHFFFAOYSA-N 335.146 4.439 0 40 EIAB COc1cccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)c1 531925 NHEILUXZPKBHNZ-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB Sc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 1293742 PQXOHDIQJFCWFC-UHFFFAOYSA-N 338.461 4.174 0 40 EIAB CCOc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 1382985 SVMUHZVCLBGYTA-DHZHZOJOSA-N 334.419 4.277 0 40 EIAB Fc1cccc(CSc2ncnc3c2ncn3[C@H]2CCCS2)c1 1687738 CVZOCYIRMVPLHT-CYBMUJFWSA-N 346.456 4.283 0 40 EIAB in-vitro O=c1[nH]c(SCc2ccc(F)cc2)nc2sc3c(c12)CCCC3 1972986 YZYZKTLMFSQHKS-UHFFFAOYSA-N 346.452 4.295 0 40 EIAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 2124714 DLIWIFULGWKWPV-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB biogenic O=C(c1cccc(Br)c1)c1ccccc1CN1CCCC1 2515556 HHFOIBBKCQNJSJ-UHFFFAOYSA-N 344.252 4.276 0 40 EIAB COc1cc(SC)ccc1C(=O)OCc1nc2ccccc2s1 3467540 GEVJILWGRKELES-UHFFFAOYSA-N 345.445 4.384 0 40 EIAB Cn1c2ccccc2n2cc(-c3cccc(Br)c3)nc12 4663245 XVBYCFUPAHZHIA-UHFFFAOYSA-N 326.197 4.256 0 40 EIAB CCCCNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12 5035247 YYNJVSKNSKRLDA-UHFFFAOYSA-N 335.386 4.296 0 40 EIAB Cc1ccc(NC(=O)c2ccc(F)cc2F)c(Br)c1 5455003 ARSPTSVOYVQJKT-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB Cc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)nc1 6508335 QOKIPUVRHGSQJP-UHFFFAOYSA-N 345.196 4.459 0 40 EIAB Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C 7053191 IUMFXLHEXVRCCO-UHFFFAOYSA-N 345.342 4.003 0 40 EIAB CCOCCCNCc1ccc(-c2ccc(Br)cc2)o1 7524910 VYXGYSASVOUWOR-UHFFFAOYSA-N 338.245 4.225 0 40 EIAB O=c1ccc(-c2cccc3ccccc23)nn1Cc1ccccc1F 7595943 QEUJRGWPNSOBLK-UHFFFAOYSA-N 330.362 4.251 0 40 EIAB CCCCc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 7842608 ZJRIPKRLAVFIKJ-FQEVSTJZSA-N 338.451 4.235 0 40 EIAB COc1cccc(-c2csc(NC(=O)Nc3ccccc3)n2)c1 8769298 XYDUPFRDUMWQDD-UHFFFAOYSA-N 325.393 4.463 0 40 EIAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 9320911 YUPODKMEASNHEN-KRWDZBQOSA-N 347.418 4.182 0 40 EIAB O=C1CCc2c(OCc3nc(-c4ccc(Cl)cc4)no3)cccc21 10198167 AYUFTJSAVHXQOI-UHFFFAOYSA-N 340.766 4.098 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 10407422 FZDNRNXNIZHWJH-UHFFFAOYSA-N 331.799 4.088 0 40 EIAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nccn1CC)c1ccccc1 11605686 BVWUNRLHANITHJ-GDBMZVCRSA-N 331.485 4.041 0 40 EIAB COc1cccc(C(=O)Oc2ccc(/C=C/c3ccccn3)cc2)c1 11858859 QMMILPFNIZQYDI-DHZHZOJOSA-N 331.371 4.480 0 40 EIAB Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)CCCCCC3 12324667 XDAOHZSQMJZNDL-UHFFFAOYSA-N 334.467 4.338 0 40 EIAB Cc1nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc2o1 12742188 LQISIXNOWFLCQM-UHFFFAOYSA-N 330.771 4.116 0 40 EIAB Cc1cc(C(=O)O)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 13391168 JRSKGJCNCIGPLT-UHFFFAOYSA-N 347.798 4.143 0 40 EIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cnccn1 14377421 VOGQTOYNHUJDDY-UHFFFAOYSA-N 348.387 4.131 0 40 EIAB CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1 14602581 SRGUQNQIQLUEBA-FQEVSTJZSA-N 341.451 4.430 0 40 EIAB CCN1C(=O)[C@@H](Cc2cccc(C)c2)c2cc(Br)ccc21 15018213 RRENEEYNYDYLDB-INIZCTEOSA-N 344.252 4.450 0 40 EIAB COc1ccc(-c2cccc3c(OC)c4c(c(OC)c23)OCO4)cc1 15085409 VVHOJDNNAPVOEA-UHFFFAOYSA-N 338.359 4.261 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)cc1 20924379 UKKOACGBHPZJRK-LLVKDONJSA-N 337.826 4.131 0 40 EIAB O=C(NCC1(c2ccccc2)CCC1)c1cc(-c2ccccc2)on1 23079593 PPZAVYGGXXQLGM-UHFFFAOYSA-N 332.403 4.193 0 40 EIAB Cc1sc2nc([C@@H](C)Nc3ccc(Cl)cc3)[nH]c(=O)c2c1C 23865146 DFYLNVSJIKTBJM-SECBINFHSA-N 333.844 4.428 0 40 EIAB COCc1cccc(NC(=O)CCc2ccc(OC(F)F)cc2)c1 25336036 PPMRMDWCTOWUAT-UHFFFAOYSA-N 335.350 4.006 0 40 EIAB CCc1nonc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 27663370 OHLCIWDFQABVHX-UHFFFAOYSA-N 342.207 4.406 0 40 EIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccc(F)cc1 28230171 CJSJOISSRYTCFX-UHFFFAOYSA-N 341.361 4.079 0 40 EIAB Nc1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 32692207 IZEDWPIIRXOMMN-UHFFFAOYSA-N 327.236 4.306 0 40 EIAB Clc1cccc(-c2nn3c(-c4cccnc4)nnc3s2)c1Cl 36358424 OJILLYBWEYGYDM-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2)c1C 41008034 FDVNDKWWOPOVGN-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB Cc1ccc2c(NC(=O)COc3ccc(Cl)cc3)cccc2n1 44443005 UPZSKWPUGYKYQI-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1cnn(-c2ccccc2)c1 45941225 DIZLNKYYTLHJJP-UHFFFAOYSA-N 331.297 4.143 0 40 EIAB Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc2ncccc12 46814928 ODPRBYFTWRVFIT-HOTGVXAUSA-N 333.435 4.221 0 40 EIAB CC(C)NC(=O)Nc1ccc(CNCc2ccc(Cl)s2)cc1 48784973 AQDFOHGKZOBQEE-UHFFFAOYSA-N 337.876 4.221 0 40 EIAB O=[S@](CCCOc1ccc(F)cc1)Cc1c(F)cccc1Cl 58130863 QKWSFBDKOBXROB-QFIPXVFZSA-N 344.810 4.336 0 40 EIAB C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 58222750 YLWREEXYJAYJAH-IFXJQAMLSA-N 327.399 4.389 0 40 EIAB COCc1ccccc1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 58244908 QQSQVDKLZFLSEM-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB O=C(Nc1ccccc1O)c1nc(-c2ccccc2)n2c1CCCCC2 58357596 DTUZIIGSNLNDDB-UHFFFAOYSA-N 347.418 4.234 0 40 EIAB C[C@@H](COc1ccc(F)cc1F)NC(=O)C12CC3CC(CC(C3)C1)C2 65587057 PLUIHEGMTOSELJ-PGBBXINNSA-N 349.421 4.065 0 40 EIAB Cc1[nH]c2ccc(C(=O)N3Cc4cnc(C(C)(C)C)nc4C3)cc2c1C 67758400 DOSZTTPHPDGHLX-UHFFFAOYSA-N 348.450 4.028 0 40 EIAB CS[C@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 69976978 PBDHKXLLWKTACB-CABCVRRESA-N 345.512 4.075 0 40 EIAB Cc1cccc(C)c1NC(=O)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 71911716 IGPYNVWOPXOSNE-OALUTQOASA-N 343.515 4.422 0 40 EIAB O=C(O)C1=NN(c2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)C1 71978959 VTOIIYBPIUXNPX-HNNXBMFYSA-N 335.190 4.385 0 40 EIAB Cc1ccc(CCCC(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1 72290026 QNROGWKFVSLEFV-UHFFFAOYSA-N 341.451 4.106 0 40 EIAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccc(F)cc2F)C1 72404773 QLVJFMVDUALHGU-CYBMUJFWSA-N 345.374 4.395 0 40 EIAB O=C(c1cc(-c2ccccc2)on1)N1CCC(c2ccsc2)CC1 75157137 CJBMPSUDPNMUNV-UHFFFAOYSA-N 338.432 4.423 0 40 EIAB CCCOC(=O)c1ccc(Nc2cccc(Br)c2)c(N)c1 79270173 WGUWOHBANBHNCM-UHFFFAOYSA-N 349.228 4.342 0 40 EIAB C[C@H]1CN(C(=O)Nc2nc(C3CC3)cs2)C[C@H](c2ccsc2)O1 89937001 JSXDLQLJINFWEM-IINYFYTJSA-N 349.481 4.076 0 40 EIAB Fc1cc(F)c(OC(Cl)(Cl)Cl)c(Br)c1 95215742 MNRLBGYQFQDSRB-UHFFFAOYSA-N 326.351 4.434 0 40 EIAB c1ccc(N2CCC(N[C@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1 95420313 GJSNSKXDTNLZLY-IBGZPJMESA-N 349.478 4.087 0 40 EIAB Cc1nc(CN2CCC(CN[C@@H](C)c3cccs3)CC2)cs1 95422297 QCSKNRNXMPCGFU-ZDUSSCGKSA-N 335.542 4.076 0 40 EIAB CCOCc1ccccc1NC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 95965225 WPEZBRZRLONFAI-CVEARBPZSA-N 336.501 4.361 0 40 EIAB C[C@H](c1ccccc1)N1CCC(NC(=O)CCc2ccsc2)CC1 96407285 VIZSAVAMPHGJIA-MRXNPFEDSA-N 342.508 4.023 0 40 EIAB CCc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 96651441 HSBRYZNJKGRCEN-UHFFFAOYSA-N 334.213 4.272 0 40 EIAB CCOc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100031982 PNDASBOUUHCUKG-QFBILLFUSA-N 340.448 4.020 0 40 EIAB Oc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1 100900948 WXHYWPFNNWXWSR-UHFFFAOYSA-N 329.359 4.452 0 40 EIAB in-vivo C[C@@H](NC(=O)CSC/C=C/c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105926619 WIOSODTYXFGKFS-HPDBQNBZSA-N 329.509 4.374 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1C[C@@H](C)C[C@@H](C)C1 216866859 IKYLGVJUUVKRAF-GASCZTMLSA-N 337.467 4.312 0 40 EIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(OC(C)C)cc1 216957911 AFUAHFQAXACCPV-UHFFFAOYSA-N 337.375 4.124 0 40 EIAB O=C(/C=C/c1cccnc1)Nc1ccccc1-c1cn2ccsc2n1 218559612 ANQFFZSEUPZLDR-BQYQJAHWSA-N 346.415 4.110 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c(Cl)c2)S1 222580657 DEEMIZKCPKMIGA-VFVAKGGASA-N 345.855 4.030 0 40 EIAB Cc1cccc(CSCCNC(=S)Nc2cccc(F)c2)c1 225337514 XILGIGJJGWBYGX-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB CCOc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225460853 XRTSLEKHXMGCAX-GOSISDBHSA-N 326.465 4.449 0 40 EIAB Cc1ccccc1C(=O)N1CCC(Oc2cccc3cccnc23)CC1 225705099 ZCTJHAAYBRMHKC-UHFFFAOYSA-N 346.430 4.227 0 40 EIAB Cc1ccc(NC(=O)c2snnc2-c2cccs2)cc1Cl 225788378 LKZVYNMTQLXXAM-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB CCN(C(=O)c1ccc(-c2ccc(N)cc2OC)o1)c1ccccc1 226303970 SFTFGPWLXMNOKM-UHFFFAOYSA-N 336.391 4.204 0 40 EIAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 257316675 VGNPDAKVZLTTMP-LJQANCHMSA-N 349.478 4.348 0 40 EIAB O=C(NC1(c2cccs2)CCCC1)c1ccc(Br)o1 390826728 BHNPRPQJOGCYBW-UHFFFAOYSA-N 340.242 4.303 0 40 EIAB O=C(c1cccc(OC(F)(F)C(F)F)c1)C(Cl)(Cl)Cl 575359922 ASPUZRZBVUNVJA-UHFFFAOYSA-N 339.499 4.476 0 40 EIAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(CF)CC1 579125450 ANSCGEJBZQFXTK-UHFFFAOYSA-N 336.407 4.079 0 40 EIAB Cc1cc(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)cc(C)c1F 585126528 BHQRJPOTGYBFAR-MRXNPFEDSA-N 349.409 4.015 0 40 EIAB O[C@@H]1[C@@H](NCC2CCCCC2)CCC[C@H]1Oc1cccc(Cl)c1 585289698 VNJLSAZGHANMPU-IPMKNSEASA-N 337.891 4.171 0 40 EIAB CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OCC 147433 ZSWHYADXWSWTBL-WCRPCQDQSA-N 339.435 4.375 0 40 EIAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccccc2)c1C 401009 XKTNBXUNRGXFTP-UHFFFAOYSA-N 337.448 4.168 0 40 EIAB COc1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 1001778 RAJPQKSSMIZTPJ-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3o2)c(C)c1 3618926 JKGJOAFUJAEZGM-UHFFFAOYSA-N 326.421 4.484 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)c1nn(CC)c(=O)c2ccccc12 5509701 GYTKSWXCRSOTRY-CQSZACIVSA-N 349.434 4.182 0 40 EIAB CC(C)c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 5522904 SLOASNASRXQTOO-UHFFFAOYSA-N 342.483 4.447 0 40 EIAB CCc1nnc2c(NCc3ccccc3Cl)nc3ccccc3n12 6792000 PNAJSEIFZHEQIJ-UHFFFAOYSA-N 337.814 4.105 0 40 EIAB CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)cc1 6957132 FNDAXEUHSSQFBB-UHFFFAOYSA-N 326.783 4.380 0 40 EIAB biogenic,in-vitro FC(F)(F)c1cccc(-c2nnn(C/C=C/c3ccccc3)n2)c1 7583611 ALALMSZWPASRMZ-VMPITWQZSA-N 330.313 4.072 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1 7945878 SHVBMZBHSXMUNE-UHFFFAOYSA-N 333.863 4.381 0 40 EIAB Cc1cccc2nc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cn12 7990390 QHSLQQSMGFVOGS-GFCCVEGCSA-N 347.340 4.153 0 40 EIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccccc2o1 8341096 FEPNJXLNQAAQTH-UHFFFAOYSA-N 327.355 4.243 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 8757285 NSKSPVQWWCUXAU-INIZCTEOSA-N 349.430 4.220 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(C2CC2)nc2ccccc12 9378293 UYKBFUXMUHNVCS-UHFFFAOYSA-N 328.375 4.241 0 40 EIAB Fc1ccc(OCc2nnc(-c3ccccc3)o2)c(Br)c1 9502892 JFKSJNXQNNWVBU-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB COc1ccc(C(C)=O)cc1COc1ccc(C)c2c1C(=O)C[C@@H]2C 11052738 WHHINTCBJMIWQD-ZDUSSCGKSA-N 338.403 4.475 0 40 EIAB Clc1ccc2nc(COc3ccccc3Br)cn2c1 12507063 MMZFFVYAHXONBK-UHFFFAOYSA-N 337.604 4.329 0 40 EIAB Cc1ccc(CCCNC(=O)CSCc2ccccc2C)cc1 13671872 HGVZVOIKZFOFFP-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB Fc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12 13726428 MWIZOTOWWYTKTD-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB CC(=O)c1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 14250062 LXKGTUHMWCBBNI-UHFFFAOYSA-N 338.388 4.390 0 40 EIAB CN1C(=O)Cc2cc(-c3csc(NC4CCCCC4)n3)ccc21 16939776 UCNWPQZYBLLJTC-UHFFFAOYSA-N 327.453 4.074 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20038871 XQQUIKDZMPHETB-KRWDZBQOSA-N 341.451 4.046 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 20096481 FWOUZOPIKKTXQT-UHFFFAOYSA-N 336.435 4.404 0 40 EIAB C[C@H]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 21475530 JRBFCLNHICSOFP-VIFPVBQESA-N 345.449 4.237 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 22562873 IHKIMTTXDYSYHY-UHFFFAOYSA-N 333.334 4.174 0 40 EIAB CCCCC[C@@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 22884067 RJRSZLZBUVZHJF-CYBMUJFWSA-N 347.484 4.369 0 40 EIAB Fc1ccc(Nc2nnc(SCCc3ccncc3)s2)cc1 23079872 CUSOICZHBXTEBQ-UHFFFAOYSA-N 332.429 4.151 0 40 EIAB C[C@@H](CC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 23383224 PSBBIGRCDGJQLE-JTSKRJEESA-N 337.463 4.152 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](C(F)(F)F)C1 24183532 DHPRGTNPYQQLRN-ZDUSSCGKSA-N 338.329 4.065 0 40 EIAB Cc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222427 KKBHQDLLWJRBJL-OAQYLSRUSA-N 331.463 4.407 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 27377895 NVYOCHDTADNODC-OUKQBFOZSA-N 336.435 4.033 0 40 EIAB CCOCc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 28347667 KUEONYWXOQOFHA-HNNXBMFYSA-N 344.430 4.265 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(OC)cc1 30862880 ADQCJYIOMRYRFQ-IBGZPJMESA-N 341.451 4.128 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nc(CC3CCCC3)n[nH]2)c1 31797769 KEAASZXCFXQYKK-UHFFFAOYSA-N 329.469 4.129 0 40 EIAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 32627831 OWFWBLLVGKVOQC-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB COCc1c(C(=O)N[C@H](C)c2ccc(F)cc2F)oc2ccccc12 32983406 NZGWNUBJASGFLO-LLVKDONJSA-N 345.345 4.348 0 40 EIAB C[C@H]1CCCCN1C(=O)/C=C/c1ccc(OCc2ccncc2)cc1 40069546 JLDFWNGLLDDYTG-JEJOPICUSA-N 336.435 4.075 0 40 EIAB O=C(Nc1ccccc1[C@H]1CC=NO1)c1ccccc1Br 44928810 JAMXCRTWKLIICV-OAHLLOKOSA-N 345.196 4.149 0 40 EIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 44945797 ZIXVTMKNIIEOAT-QGZVFWFLSA-N 341.451 4.046 0 40 EIAB COc1ccc2cc(CN(C)[C@H](C)c3nc(C4CC4)no3)ccc2c1 48234235 PQTPFLWWVKQXBK-CYBMUJFWSA-N 337.423 4.302 0 40 EIAB Cc1nccn1-c1ccc(CNCc2cccc(Cl)c2Cl)cn1 48782436 KFICZTPDDFMVJC-UHFFFAOYSA-N 347.249 4.172 0 40 EIAB CC(C)Sc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 55178663 HPWDHEKEGDRBFX-UHFFFAOYSA-N 348.855 4.192 0 40 EIAB CC(C)[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765023 VSPZBXDCLIZXNC-LLVKDONJSA-N 349.818 4.351 0 40 EIAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1 58055713 JUYZOLGLRZOSOO-UHFFFAOYSA-N 345.445 4.366 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N(C1CCCC1)C1CCCC1 58182902 HELVTEUDHWGJAC-UHFFFAOYSA-N 327.877 4.216 0 40 EIAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(Cl)s2)o1 58421675 BMXHYAVKTFZAFU-HNNXBMFYSA-N 345.855 4.393 0 40 EIAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1)N1CCCC1 64471782 BJLJOQPFYFPZDH-UHFFFAOYSA-N 335.382 4.354 0 40 EIAB CCOC1CCN(C(=O)N[C@H](C)c2ccc(SCC)cc2)CC1 69587393 LVCLGSGRWGQLIX-CQSZACIVSA-N 336.501 4.070 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2)cnc1N1CCCCC1 72219167 AGLHNODEVIFACJ-FQEVSTJZSA-N 349.478 4.358 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)CCc3cscn3)cc2)nc1 79094363 NBUIILHKXGXJJK-UHFFFAOYSA-N 339.420 4.210 0 40 EIAB O=C(OC1CCCCCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 84374397 DZRFQXMFOVGXLA-SFHVURJKSA-N 345.439 4.074 0 40 EIAB O=[S@@](Cc1cccc(Cl)c1)Cc1csc([C@@H]2CCCO2)n1 95442865 IPAQWOLVPFCIHC-LHSJRXKWSA-N 341.885 4.097 0 40 EIAB C[C@H](CC(=O)Nc1cccc(CCN2CCCC2)c1)c1ccccc1 95455579 IPFJMNJQTRCOGR-GOSISDBHSA-N 336.479 4.457 0 40 EIAB Cc1cccc(C[S@@](=O)C[C@@H](O)c2ccc(Cl)cc2Cl)c1 95946410 NIIWFFALYVEZLF-IERDGZPVSA-N 343.275 4.284 0 40 EIAB COC1(CNC(=O)c2cccc3ccccc23)C2CC3CC(C2)CC1C3 96123852 SKORHVDHASJMOU-UHFFFAOYSA-N 349.474 4.411 0 40 EIAB CCCNC(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96154746 SDBKGVDWAPKMKA-UHFFFAOYSA-N 336.439 4.058 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)NCc1csc(C(C)(C)C)n1 96415398 QDNJZKQPCZLHJW-OAHLLOKOSA-N 346.500 4.128 0 40 EIAB OCc1ccc(CNC[C@H]2CC3c4ccccc4C2c2ccccc23)o1 97212644 MDTJJRUWOHQCMV-CGDGTSQQSA-N 345.442 4.159 0 40 EIAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102789499 YYDJJHKWQILILX-BURFUSLBSA-N 342.483 4.114 0 40 EIAB O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@@H]2CC[C@@H]4CCCC[C@@H]4[C@H]23)C1 104294089 URACDKFMGOHETL-SIRBJWHBSA-N 334.525 4.364 0 40 EIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c(C)c1 138835875 UKKOQQHJCNAGJL-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB Cc1nc(C)c(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)s1 206670788 MCAXCWCENNXPGD-HNNXBMFYSA-N 332.444 4.309 0 40 EIAB COC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 216804593 DGEYFBYNBFLPFL-UHFFFAOYSA-N 341.190 4.368 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)cc1 219601923 ZCAVCTSOQHMMND-SFHVURJKSA-N 347.842 4.165 0 40 EIAB CCOc1ccccc1CCCNC(=O)Nc1cccc(Cl)c1 222629552 RBFWENGRFKABEW-UHFFFAOYSA-N 332.831 4.493 0 40 EIAB O=C(COc1cccc2c1CCCC2)NCc1ccc2ccccc2c1 222817410 KIJACYCUVDOHGF-UHFFFAOYSA-N 345.442 4.414 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)ccc1C 223433914 WAOUSSHLTWQDMW-UHFFFAOYSA-N 341.885 4.480 0 40 EIAB CCOc1ccccc1CCCNC(=O)c1cc(Cl)ccc1OC 225039007 BXZIPXGMUCYERE-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB CCOc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1 225107984 GEKODLNWBSEJLA-HXUWFJFHSA-N 336.387 4.313 0 40 EIAB COC(=O)c1cc2cc(NC(=S)NCC(C)(C)C)ccc2s1 225231185 XKLSIUPTWGASTA-UHFFFAOYSA-N 336.482 4.020 0 40 EIAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1C 225717527 AJPSKSMICDMTFS-HNNXBMFYSA-N 329.469 4.145 0 40 EIAB C[C@H](NC(=O)c1snnc1-c1ccccc1)c1ccc(Cl)cc1 225761133 UWXYPKGWDHXEBX-NSHDSACASA-N 343.839 4.350 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c(C)n1 225894105 CGBIXYLUWTWYTR-LJQANCHMSA-N 336.476 4.349 0 40 EIAB COc1ccc2c(c1)N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@H]2C 260613235 FBLIQGNAEKXBQQ-GFCCVEGCSA-N 329.396 4.279 0 40 EIAB NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 409416234 MFXQRXNOUIPMHQ-KXFIGUGUSA-N 340.181 4.210 0 40 EIAB CC1(C)CC[C@@H](NC(=O)CCc2ccon2)[C@@H](c2ccccc2)C1 634525615 ZLLLDBXJYPXHLX-QZTJIDSGSA-N 326.440 4.086 0 40 EIAB Oc1nnc(-c2cccc3ccccc23)c2cn(-c3ccccc3)nc12 33589 HBJBKURPISSTLN-UHFFFAOYSA-N 338.370 4.341 0 40 EIAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 70659 SUFRJZGOFMTHPI-IBGZPJMESA-N 349.434 4.077 0 40 EIAB O=C(c1ccccc1I)c1c[nH]c2ccccc12 163966 TXNMRHWNHHBEFW-UHFFFAOYSA-N 347.155 4.004 0 40 EIAB in-vitro CC(=O)c1ccc(OC(=O)c2cc(Cl)nc3ccccc23)cc1 482342 KPOSVZOAXIRBFS-UHFFFAOYSA-N 325.751 4.310 0 40 EIAB O=C(Nc1ccccc1Br)c1ccc(Br)o1 514172 QMZDTPHIZMYNBZ-UHFFFAOYSA-N 344.990 4.057 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1 568287 ZFTYCXWWWROCKK-UHFFFAOYSA-N 326.440 4.179 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(SC)cc1)C2 1370014 WCAAHOPXHGWTEM-IRXDYDNUSA-N 347.528 4.326 0 40 EIAB COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C)cc1F 2620885 UPWWSMJSAPCGNO-UHFFFAOYSA-N 347.390 4.061 0 40 EIAB C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@@H]1C 4777667 QFUXQRHAJWXPGP-SRRICDNISA-N 340.375 4.229 0 40 EIAB biogenic,in-vitro CCCCC1CCC(C(=O)Nc2c(C(N)=O)oc3ccccc23)CC1 4851872 FDGICLAIGLPZOT-UHFFFAOYSA-N 342.439 4.467 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCC2=O)cc1 5577844 ZAPFWKUFKGEHAB-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB C[C@H](Oc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 6553617 YFNQXSGHWQVTDQ-VIFPVBQESA-N 335.190 4.370 0 40 EIAB Cc1cnc(NC(=O)CSc2cccc(C(F)(F)F)c2)s1 6559078 AKEXRZXLKVDCRL-UHFFFAOYSA-N 332.372 4.201 0 40 EIAB CN(CC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1 7115583 WDTSIGZZQQSSBK-HXUWFJFHSA-N 336.460 4.090 0 40 EIAB O=C(COc1ccccc1F)N[C@H](c1ccccc1)c1cccs1 7889227 VMUSVYXWMLASHS-LJQANCHMSA-N 341.407 4.172 0 40 EIAB O=C(O)c1cc(/C=C/c2ccc(-n3ccnc3)cc2)nc2ccccc12 7900574 DIYDIRWUZYTKRA-VMPITWQZSA-N 341.370 4.289 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 8499010 PUABEXDFJFFZMG-CQSZACIVSA-N 349.883 4.324 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 9836569 BRWAZCHTTFIVMA-UHFFFAOYSA-N 330.387 4.149 0 40 EIAB Fc1ccc(F)c(CN2CCC(c3cc4ncccc4cn3)CC2)c1 12188681 GHRXXCVFIGPSFO-UHFFFAOYSA-N 339.389 4.288 0 40 EIAB Cc1nc2ccc(C(=O)N3CCn4cccc4[C@H]3C(C)C)cc2s1 12325200 IKTSFHAZTQFWQW-GOSISDBHSA-N 339.464 4.259 0 40 EIAB Cc1cn2c(CC(=O)Nc3ccc(Cl)c(Cl)c3)csc2n1 12534962 IPLHMWDURZSIDB-UHFFFAOYSA-N 340.235 4.192 0 40 EIAB Cc1noc(CSc2nnc(Nc3ccc(C(C)C)cc3)s2)n1 12781828 IQRQBOSLBSBYDK-UHFFFAOYSA-N 347.469 4.389 0 40 EIAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 16029158 SIPDQZUYRQJCBL-KRWDZBQOSA-N 344.414 4.140 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2F)on1 19120963 KCTYICKGFUPFSD-QGZVFWFLSA-N 340.402 4.239 0 40 EIAB O=C(O)c1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1O 20138990 CLALTOHRAMQPQW-UHFFFAOYSA-N 341.750 4.149 0 40 EIAB CSc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 21641701 SNJMAHLCAMJFFI-QGZVFWFLSA-N 343.448 4.219 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)c1 22500239 TUFZZWLWUZWNIT-KGLIPLIRSA-N 345.464 4.062 0 40 EIAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 24842313 UOAMDTCNTKMALW-UHFFFAOYSA-N 345.196 4.191 0 40 EIAB COc1ccc(CN(C(=O)c2ccc(C)cc2C)C2CC2)c(OC)c1 25760955 ARMJLPXKCPQDEK-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 26781119 OBRMJGDRGTWSPH-MJGOQNOKSA-N 341.495 4.383 0 40 EIAB COc1ccc(SCC(=O)Nc2c(C)cccc2C)cc1OC 30754020 PBOAYPPQQBOBOF-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCO4)s2)o1 31204714 APZPXOFDDOYMIE-UHFFFAOYSA-N 342.376 4.001 0 40 EIAB O=C(NCc1cccnc1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 32152982 ASLMWHIBBGGLFX-MGAZVUHYSA-N 346.474 4.236 0 40 EIAB NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 35726703 LAITVIAZNQZWDR-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2F)cc1 36359622 ZHVVXMCSUDVOEZ-HNNXBMFYSA-N 337.354 4.144 0 40 EIAB CC(C)Oc1ccc(CNC(=O)CCSCc2ccccc2)cc1 38755192 BSDLPHXVBQDYGU-UHFFFAOYSA-N 343.492 4.414 0 40 EIAB C[C@H](CNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 40096760 SIEPRURZIJKCAP-MRVPVSSYSA-N 344.283 4.307 0 40 EIAB O=C(CCOc1cccc(Cl)c1Cl)NCc1cccs1 40140581 PBYWRPBZAFWOCS-UHFFFAOYSA-N 330.236 4.140 0 40 EIAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccn1 40485851 YWVGUMMGUWSWHA-HXUWFJFHSA-N 342.398 4.134 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C 44856414 SAOVRFADKQCWFV-KRWDZBQOSA-N 347.462 4.348 0 40 EIAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1occc1-c1ccccc1 48265480 SPAUBSLOPUZWQW-MAUKXSAKSA-N 327.424 4.272 0 40 EIAB C[C@H](NCc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1 48709599 GKEGQBZULHSFQH-LBPRGKRZSA-N 330.378 4.164 0 40 EIAB COc1ccccc1-c1nnc([C@H]2CCN(CC3CCCCC3)C2)o1 49170001 FWENXASEACQDQK-INIZCTEOSA-N 341.455 4.115 0 40 EIAB biogenic,in-vitro CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)nc1 58087500 CCXZNDJTRNFDHU-UHFFFAOYSA-N 346.430 4.275 0 40 EIAB CC[C@@H](C)NC(=O)c1oc2ccccc2c1CSc1ncccn1 58282846 BNVGGUGEQPPSAV-GFCCVEGCSA-N 341.436 4.043 0 40 EIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 65496031 RVEZHVDNUUIBDP-IRXDYDNUSA-N 327.449 4.051 0 40 EIAB COc1ccc(-c2n[nH]c(SCc3ccc(C)cc3)n2)c(OC)c1 66006105 VZNLHSQBIYBKHV-UHFFFAOYSA-N 341.436 4.090 0 40 EIAB O=C(Cc1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 72093982 XRSPPVCTLWDQNY-UHFFFAOYSA-N 329.705 4.420 0 40 EIAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214501 KIFPJZNLVYAMDU-MRXNPFEDSA-N 333.476 4.246 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2Oc3ccccc3[C@H]2C)n1 76016984 RFSHLQKWWGPALO-UKPHBRMFSA-N 342.464 4.070 0 40 EIAB COc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1OC 77240453 GVHNVUPKSJDODV-UHFFFAOYSA-N 342.420 4.110 0 40 EIAB Cc1oc(C)c(C(=O)NC[C@H](C)c2nc3ccccc3s2)c1C 78714325 KFPGQZUWRJXMAR-JTQLQIEISA-N 328.437 4.348 0 40 EIAB Cc1cc2ncn([C@H](C)c3nc(-c4cnn(C)c4)cs3)c2cc1C 84728301 IFCFTOAROMWHRL-CYBMUJFWSA-N 337.452 4.119 0 40 EIAB C[C@H](Cc1ccoc1)NC(=O)C1c2ccccc2Oc2ccccc21 84926345 UEOVORUBHODRIW-CQSZACIVSA-N 333.387 4.265 0 40 EIAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc2ccccc12 89949170 LVMIZPMQTHWYJW-KBXCAEBGSA-N 342.508 4.028 0 40 EIAB CC(=O)c1csc(C(=O)N(Cc2ccccc2)c2ccncc2)c1 95996621 AKLVTJDXKPVCDZ-UHFFFAOYSA-N 336.416 4.193 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(NC(C)=O)c1 96417939 YYUYYXHJYNVSQH-GOSISDBHSA-N 340.427 4.045 0 40 EIAB Cc1nc(C)c(CNC(=O)Nc2cccc(N3CCCCC3)c2)s1 96434280 QJSONPZJIQKBPB-UHFFFAOYSA-N 344.484 4.072 0 40 EIAB COc1ccccc1[C@H](C)N[C@@H](C)c1noc(Cc2ccccc2)n1 96479180 FFFKGHPLURJLJJ-GJZGRUSLSA-N 337.423 4.081 0 40 EIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)s3)N21 222652157 YAQCRXBVTJKPFZ-APHBMKBZSA-N 329.494 4.431 0 40 EIAB Cc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222756362 YJLAZSCDECCFCR-SFHVURJKSA-N 339.435 4.101 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 223628640 LUWTVWWPCYNOFJ-UHFFFAOYSA-N 349.430 4.436 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)cc1 223684160 DYEKHEIABUAMAN-UHFFFAOYSA-N 347.480 4.401 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCSC2CCCC2)ccc1Cl 223871855 DUNXOUMSPSAZRR-ZDUSSCGKSA-N 341.904 4.208 0 40 EIAB COc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257135 ZWAAWSKDIBIEIS-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](Cc3cccc4ncccc34)CC2)no1 257200587 ADYDCCXMLKZHIG-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4)OCC[C@@]31C2 257265481 LYUVDQCZWYMZCL-FPIWTNIKSA-N 341.495 4.404 0 40 EIAB CCc1noc(C)c1NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 371610941 HJEOMXKDUPHNJZ-LPQFERQCSA-N 325.412 4.255 0 40 EIAB O=C(O)[C@H]1CN[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 408979476 QZHKKSSRRKMXLP-CHWSQXEVSA-N 344.219 4.042 0 40 EIAB Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 409052809 IHORAENIZVAERO-UHFFFAOYSA-N 335.794 4.318 0 40 EIAB Cc1cc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)sn1 585117139 RXNSSMVBJSHXNS-UHFFFAOYSA-N 344.484 4.472 0 40 EIAB Cc1oc(-c2ccsc2)nc1CN1CC[C@H](c2cccnc2)C1 645982151 XUJIPOQSRSEJBE-HNNXBMFYSA-N 325.437 4.096 0 40 EIAB CO[C@@H](C)c1cccc(NC(=O)N2CC(Cc3ccc(C)cc3)C2)c1 665948731 GRMKLDAHOZEHGL-INIZCTEOSA-N 338.451 4.409 0 40 EIAB O=C(NC[C@@H]1COc2ccccc21)c1ccc(-c2ccsc2)cc1 675008068 UWPKTQVHMLFYTJ-QGZVFWFLSA-N 335.428 4.321 0 40 EIAB CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCCC2 64401 KRISQZSSEQBSFT-UHFFFAOYSA-N 345.420 4.415 0 40 EIAB O=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)ccc1Cl 262360 CRIKLGMWDDHAMQ-UHFFFAOYSA-N 326.566 4.447 0 40 EIAB CCc1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2C)cc1 568431 NMSZRGZEHCWIEE-UHFFFAOYSA-N 340.467 4.421 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1649320 KPMWGGRSOPMANK-WBMJQRKESA-N 336.815 4.350 0 40 EIAB in-vitro COc1cc(NCCN(C)[C@H](C)Cc2ccccc2)c2ncccc2c1 1656144 CJTZZCAWDWSSRS-QGZVFWFLSA-N 349.478 4.218 0 40 EIAB O=C(O)c1cccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)c1 1673078 GHTGNYOWLDGOGS-LJQANCHMSA-N 331.371 4.421 0 40 EIAB COc1c(C)cc(C(=O)CCCCC2OCC(C)(C)CO2)cc1C 2518076 PMDGKVCQGKNRBF-UHFFFAOYSA-N 334.456 4.454 0 40 EIAB c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 2622634 HJMHKNVUXQZNFV-UHFFFAOYSA-N 342.405 4.140 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3273335 QVPUQASDPSPUPT-CQSZACIVSA-N 335.407 4.161 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2F)cc1OCC 3459397 SRWNHSSIPYPQFH-ZDUSSCGKSA-N 331.387 4.114 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 3480067 JYCAGVHPWSSOOT-UHFFFAOYSA-N 327.733 4.218 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4073908 UJVLDDZCTMKXJK-DHNHVGITSA-N 340.463 4.370 0 40 EIAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 4322998 FEKKICDAEXIOOG-UHFFFAOYSA-N 329.407 4.430 0 40 EIAB CN(C)C(=O)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 4340205 UFVGZNRRFNZCOE-UHFFFAOYSA-N 343.766 4.174 0 40 EIAB biogenic CCc1cc(=O)oc2cc(OCC(=O)c3ccccc3)c(Cl)cc12 4749545 ZQTLUGVDFJTOCC-UHFFFAOYSA-N 342.778 4.271 0 40 EIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1 5049605 TVLYMMWJLURZOI-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB C=C(c1ccccc1)[n+]1cc(Br)cc(Br)c1 5382713 NWUVSKJWUKLPEN-UHFFFAOYSA-N 340.038 4.018 0 40 EIAB O=c1c2ccccc2ncn1Cc1ccccc1Oc1ccccc1 5466235 BORLCXBWMZHFPN-UHFFFAOYSA-N 328.371 4.237 0 40 EIAB O=C(Cn1ccc2ccccc21)Nc1ccc(Br)cc1 6270101 XNHIGMZGDKHMGK-UHFFFAOYSA-N 329.197 4.043 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2s1 6429920 YJIIOOOGGDKSNE-UHFFFAOYSA-N 328.412 4.027 0 40 EIAB CCCCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6635101 TWJLFKTVELNJIU-UHFFFAOYSA-N 336.391 4.006 0 40 EIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Cl 7908730 BJNYDVZAPJBNTL-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB COc1ccc(C)cc1NC(=O)Cc1csc(-c2ccsc2)n1 8123048 USSUVXVZDIFKJZ-UHFFFAOYSA-N 344.461 4.370 0 40 EIAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(C5CC5)o4)c23)C1 8198710 TUFMGYURIJHJHS-MRVPVSSYSA-N 344.465 4.228 0 40 EIAB O=C(CCc1ccccc1F)NCc1ccc(Cl)cc1Cl 8269248 QDKDYVLFSMSOAT-UHFFFAOYSA-N 326.198 4.382 0 40 EIAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2)c(C)c1 8410425 LFJCTEXITAFLIN-UHFFFAOYSA-N 338.476 4.486 0 40 EIAB CC[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1 8940314 PLTVFEMZDKEMTL-HNNXBMFYSA-N 339.420 4.246 0 40 EIAB COc1ccccc1Nc1nc2sc(C)c(C)c2c2nc(C)nn12 8993079 IXOGSVDJASZMCX-UHFFFAOYSA-N 339.424 4.016 0 40 EIAB CCOC(=O)c1oc2ccc(NC(=O)c3ccccc3F)cc2c1C 9659851 LVUHJHVJHLWTMZ-UHFFFAOYSA-N 341.338 4.309 0 40 EIAB biogenic Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c2c1[C@@H](C)CC2=O 11052482 FPBKGYTZXTVAMQ-LBPRGKRZSA-N 343.810 4.356 0 40 EIAB Cc1cnc(NC(=O)c2ccccc2NC(=O)c2cccs2)s1 12771345 NVKIPBYDRRCWAS-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB CC[C@H](C)[C@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 12783955 FCKSPBMIEYJTHA-LIRRHRJNSA-N 327.424 4.472 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1 14141346 RENJNFBABOTIFY-ZDUSSCGKSA-N 340.423 4.369 0 40 EIAB CCCCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 14661050 JGYNRPLGLFDLGE-UHFFFAOYSA-N 330.240 4.440 0 40 EIAB COc1ccc(CNCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 17310356 VCHBBSJAFMCNFY-UHFFFAOYSA-N 349.478 4.155 0 40 EIAB CCc1[nH]c(SCC(=O)c2ccc(Br)cc2)nc1C 20095052 IGXFCZVRVKLKFC-UHFFFAOYSA-N 339.258 4.018 0 40 EIAB Cc1ccccc1-c1n[nH]c(SCc2nnc(-c3ccccc3)o2)n1 20195656 SICSCKDJELJVBM-UHFFFAOYSA-N 349.419 4.122 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 20461099 AKAXEMKDRVDYDZ-CYBMUJFWSA-N 349.883 4.459 0 40 EIAB Nc1cc(Br)ccc1NC(=O)c1cc2ccccc2o1 20520838 IJQKCLMOBQGICF-UHFFFAOYSA-N 331.169 4.030 0 40 EIAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc2ncccc12 22240986 PFHFEWSHYKDEHI-OAHLLOKOSA-N 331.419 4.015 0 40 EIAB O=C(CCCSc1nnc(-c2ccncc2)o1)c1ccc(F)cc1 23585358 XECMKVPLHGTGSA-UHFFFAOYSA-N 343.383 4.026 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccc(Cl)cc1 24639686 VZESDPNKOBWFJC-ZDUSSCGKSA-N 335.856 4.016 0 40 EIAB CCN(CC)Cc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 24926282 YJCRRNVHOCWNTM-UHFFFAOYSA-N 335.451 4.272 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)N[C@H](c1ccccc1)C1CC1 25582246 DLFXJAHMKKSHQG-GOSISDBHSA-N 338.432 4.213 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(C)=O)c1 30865274 XSWIICQNPIYQQQ-MRXNPFEDSA-N 331.799 4.339 0 40 EIAB Nc1ccccc1SCC(=O)Nc1cccc(Cl)c1Cl 32693349 RUODYGBSQDGYIW-UHFFFAOYSA-N 327.236 4.306 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)N[C@H]1CCSc2ccccc21 32795244 POLPTVGYNDWUEQ-KRWDZBQOSA-N 338.476 4.255 0 40 EIAB C[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 36074694 SISWZZJKVYQYCS-AWEZNQCLSA-N 331.843 4.417 0 40 EIAB Cc1cccc(-c2nnc([C@@H](C)N3CCc4sccc4C3)o2)c1 36692525 CSVRVOQVRUFQDS-CYBMUJFWSA-N 325.437 4.226 0 40 EIAB COc1cccc2c(SCC(=O)Nc3cccc(F)c3)nccc12 36708181 UQYIDKTWZCBLGC-UHFFFAOYSA-N 342.395 4.113 0 40 EIAB COc1ccccc1CC(=O)N1CCSc2ccc(Cl)cc21 40071154 BWMHXPYBKMZQTO-UHFFFAOYSA-N 333.840 4.030 0 40 EIAB CCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 41249338 LEXVWMDTJFUJFQ-UHFFFAOYSA-N 327.767 4.462 0 40 EIAB biogenic CCc1nc(C)c2c(C)c(C(=O)N3CCCCCCC3)sc2n1 41893632 WFFCMDIHFGQBOX-UHFFFAOYSA-N 331.485 4.277 0 40 EIAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@@H]1c1ccsc1 52803657 CKXDBHNPQDYMHZ-BDJLRTHQSA-N 336.407 4.190 0 40 EIAB COC(=O)c1ccc(CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 57381179 DXUALNISRSIHKE-ZDUSSCGKSA-N 340.448 4.276 0 40 EIAB CC[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57553903 XCIZRECISWQTFH-RTBURBONSA-N 342.870 4.401 0 40 EIAB Cc1nc2cc(C(=O)N(Cc3ccco3)C3CCCC3)ccc2n1C 58363354 PEYFVCVAVBQRON-UHFFFAOYSA-N 337.423 4.060 0 40 EIAB CCSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 59501346 OMORCWFUIPRCIB-UHFFFAOYSA-N 340.429 4.209 0 40 EIAB CC[C@H](C)n1nccc1NC(=O)c1sc2nc(C)nc(C)c2c1C 66661660 FZHVMUJXFJPJBH-VIFPVBQESA-N 343.456 4.036 0 40 EIAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 69526197 MXJOQFGUOVSCSL-UHFFFAOYSA-N 348.402 4.079 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@H](C)CCC[C@@H]3C)sc2n1 72295435 DDGCWOKATKYXEN-MNOVXSKESA-N 331.485 4.267 0 40 EIAB Cc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1 72341682 XFGHBFSTNAEDGA-UHFFFAOYSA-N 335.436 4.082 0 40 EIAB O=C(CCn1ccc2c(Cl)cccc21)N1CCc2ccccc2C1 72404063 IUKBIZWAFWYAFL-UHFFFAOYSA-N 338.838 4.270 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72404360 HJNHHWVYAAJVTP-HNNXBMFYSA-N 339.420 4.125 0 40 EIAB Cc1cccc(C)c1C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 74718941 DLSCASFGESRVRC-UHFFFAOYSA-N 342.826 4.101 0 40 EIAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 75582600 MEDWFALGFGYFMQ-JKSUJKDBSA-N 325.456 4.150 0 40 EIAB Clc1ccc(-c2cc3ncnc(NC[C@@H]4CCOC4)c3s2)cc1 84419439 KICXYXVHJICWTR-NSHDSACASA-N 345.855 4.460 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1-n1cccn1 84564647 WVGBTWYNANQTPC-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB CC(C)Oc1ncc(C(=O)Nc2ccnn2C2CCCC2)cc1Cl 84621944 HGWXJNZIAFBKFJ-UHFFFAOYSA-N 348.834 4.086 0 40 EIAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)/C=C/c1cc2ccccc2o1 84637042 VCDAQUJHYPTKKJ-ARLHZHEUSA-N 335.403 4.074 0 40 EIAB O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)c1cccc2cn[nH]c12 95947510 NQPMCQMBHPXYSL-IBGZPJMESA-N 347.349 4.043 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2ccccc2S(C)(=O)=O)cc1C 95960216 PDIJEORPMWZKPD-AWEZNQCLSA-N 348.489 4.070 0 40 EIAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1 96097215 NKZVMTQRMMEXMD-LLVKDONJSA-N 335.812 4.001 0 40 EIAB COC(=O)C[C@H](C)S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 96409800 PUGOUUJZFISPSY-UWVGGRQHSA-N 340.832 4.136 0 40 EIAB Cc1csc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)c1 206668014 BEHHYJSTYJKYFP-UHFFFAOYSA-N 331.422 4.298 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 218969635 YFMWAKGCMJUAAV-GOSISDBHSA-N 325.452 4.485 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCc2ccccc2C1 223008693 DGMGIEZHOJWWOE-IBGZPJMESA-N 343.854 4.391 0 40 EIAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1C1CCCCC1 223080846 QPEPFGSXJOSASY-IRXDYDNUSA-N 343.521 4.448 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)C1 224332665 NAWSAKMQXFQSQR-QGZVFWFLSA-N 326.484 4.149 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1 224454291 QKWQZNXZNKTPKQ-FQEVSTJZSA-N 349.430 4.192 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC[C@@H](C)c1ccccc1 224470958 ZZANQUBCXMXUBD-MJGOQNOKSA-N 325.452 4.381 0 40 EIAB COc1ccc(C[C@H](Sc2ccc(C)cc2)C(=O)O)cc1Cl 225124189 RXOONYIHHVSHEK-INIZCTEOSA-N 336.840 4.445 0 40 EIAB Cc1ccnc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225201880 ODCWZZUBJLALQS-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB S=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 225324444 ALDWHKDOQNOJGR-IYOUNJFTSA-N 330.497 4.483 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccc(Cl)cc2F)c1 225330241 AEPMCIMOWUCMPY-UHFFFAOYSA-N 349.789 4.145 0 40 EIAB CCCCOc1cccc(C(=O)Nc2c(Cl)cc(N)cc2OC)c1 227147099 REKOZUKIDPGEIG-UHFFFAOYSA-N 348.830 4.362 0 40 EIAB COC(=O)c1ccc2c(c1)C1(CCCC1)CN2C(=O)OC(C)(C)C 503852589 HCBDRDUEEKUBFT-UHFFFAOYSA-N 331.412 4.040 0 40 EIAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 504740750 LLNKLMHYWLHSOA-FGTMMUONSA-N 327.355 4.124 0 40 EIAB O=C(N[C@@H](c1noc(C(F)=C2CCCC2)n1)C1CC1)c1ccccc1 551091890 GWZSJNPISYNDFO-MRXNPFEDSA-N 341.386 4.205 0 40 EIAB O=C(O)c1ccc(CN2CCCCC[C@@H]2/C=C/c2cccs2)o1 563967584 ZCKBRIIPXSAISB-RCQQVGEISA-N 331.437 4.497 0 40 EIAB CC(C)c1cccc(-c2ccc(C(=O)N(C)[C@@H]3CCC[C@H]3O)o2)c1 585082443 UOQKFRUSZDREKL-IAGOWNOFSA-N 327.424 4.055 0 40 EIAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@H]12 2362803190 LWWVGEQTRSDAGU-QMNUTNMBSA-N 333.516 4.100 0 40 EIAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 421852 YAUJBXNVHPOMDS-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB O=C(NCc1ccncc1)[C@@H](Sc1ccccc1)c1ccccc1 484119 ZSUZRAOVNRYTNE-IBGZPJMESA-N 334.444 4.231 0 40 EIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(Cl)cc1 984140 QRZNWMVNALJGGU-UHFFFAOYSA-N 329.808 4.202 0 40 EIAB CCc1nc(-n2cnc3ccccc32)c2c3c(sc2n1)CCCC3 1465646 AUJVVKSMESKNTC-UHFFFAOYSA-N 334.448 4.471 0 40 EIAB CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1 1797106 SGQURWGBDIDGKF-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(F)c1)C3 2125708 AHCLKZDMLHDNHS-UHFFFAOYSA-N 339.366 4.214 0 40 EIAB biogenic O=C1N[C@@H](c2cccc(OCc3ccccc3)c2)Oc2ccccc21 2652824 HLUJMXZBXPSGAN-OAQYLSRUSA-N 331.371 4.087 0 40 EIAB CCOc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2c1 2766849 SEHFEUWSOXPZLE-LSDHHAIUSA-N 338.432 4.437 0 40 EIAB O=C(c1cccc(F)c1)N1CCN=C1SCc1ccccc1Cl 4120273 MMPNQVYYADHNIJ-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB COc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 4747806 HMJLDKBCNBJCNF-UHFFFAOYSA-N 342.464 4.460 0 40 EIAB Cc1noc2ncnc(Oc3ccc(Cl)cc3Br)c12 5724640 GQJQWWQDMPCIQN-UHFFFAOYSA-N 340.564 4.134 0 40 EIAB Cc1ccc(O)c(C(=O)CCCCC(=O)c2cc(C)ccc2O)c1 6189499 ODVDDEKQMUDMDD-UHFFFAOYSA-N 326.392 4.341 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 6361916 GULOJXQAVNKJFE-UHFFFAOYSA-N 333.453 4.229 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 6629563 FHJJBRUBYQWCSJ-GHRIWEEISA-N 344.480 4.432 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CCCC1 6653488 QCEDVNUFHPHJCX-IBGZPJMESA-N 333.435 4.153 0 40 EIAB CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1C1CC1 7618650 PHYMCHKHDZJQJE-GFCCVEGCSA-N 341.480 4.028 0 40 EIAB Cc1cc2occ(CC(=O)Oc3ccc(-c4nnco4)cc3)c2cc1C 7813346 YWPYWXDXCFIJPD-UHFFFAOYSA-N 348.358 4.248 0 40 EIAB COc1ccccc1CNC(=O)c1cc(C2CC2)nc2ccccc12 8231507 ZMRWXAWYERZLQR-UHFFFAOYSA-N 332.403 4.051 0 40 EIAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3ccccc3)sc2C1 8586834 GZJKKXLOKVVEOI-CQSZACIVSA-N 328.481 4.475 0 40 EIAB COc1ccc(Cc2nnc(SCc3ccc(C)cc3)[nH]2)cc1 9582285 FBJGZSMZPQCBNX-UHFFFAOYSA-N 325.437 4.005 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 9910989 BZIOPJHZNAIFJJ-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB Cc1ccc(CC(=O)NCCSCc2ccccc2C)cc1C 10009785 DCWUSBRKZACQGZ-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccncc2)cc1 12552979 SLZGHMMDGILOLW-UHFFFAOYSA-N 341.461 4.288 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)OCCCO2 13137574 JTKOAUUJLAAXFC-UHFFFAOYSA-N 333.387 4.182 0 40 EIAB O=C(Cc1ccc(Cl)cc1)NCCSCc1ccccc1F 13649189 AJZCMFDIKQBJEG-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 14245149 JAPIPMKBHGKBSL-UHFFFAOYSA-N 345.398 4.055 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc(C)c1Cl 14398640 OBTFYRXYFALWGH-HNNXBMFYSA-N 331.843 4.383 0 40 EIAB CCc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)no1 19522666 UDVQJEWEFMCLJR-SFHVURJKSA-N 338.432 4.086 0 40 EIAB CN(CCn1cncc1-c1cnn(C2CCCCC2)c1)C1CCCC1 19719959 ANPOZWDARIJUBB-UHFFFAOYSA-N 341.503 4.126 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)c(C)c1 20035012 VVKCFHRFWCASRX-CQSZACIVSA-N 337.872 4.137 0 40 EIAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 21303477 BQUNMKLNLHKNNA-LLVKDONJSA-N 343.789 4.360 0 40 EIAB COC(=O)c1occc1CSc1nccn1-c1ccc(C)c(C)c1 21478659 QONKIMCLDSPJFX-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB O=C(NC1CCCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1 22522725 XDSYQNPCYIOWNV-UHFFFAOYSA-N 345.446 4.271 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN[C@@H]1CCCC[C@@H]1C 28297093 XYNAGHMHYXSCDA-QKYXUNIQSA-N 328.500 4.096 0 40 EIAB Cc1ccc(OCc2ccc(C(=O)NCCc3ccccc3)o2)cc1 30810654 HCBUHQNMLRTVQA-UHFFFAOYSA-N 335.403 4.140 0 40 EIAB C[C@@H](NC(=O)c1cncc(Br)c1)c1ccc(Cl)s1 32039017 WPGPKDNLWVZOHR-SSDOTTSWSA-N 345.649 4.050 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 32802919 CRKRTCGKYSQMRO-OCCSQVGLSA-N 332.341 4.088 0 40 EIAB COc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccccc2C)cc1F 32863042 XOACXZWKKHTHDP-UONOGXRCSA-N 330.403 4.264 0 40 EIAB COc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c(OC)c1 36389926 XFKVUQCVTNOZQA-FIVWOLGZSA-N 343.467 4.144 0 40 EIAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12 36622035 QKXGYOKRDUPHDO-CQSZACIVSA-N 333.387 4.102 0 40 EIAB CCOc1ccccc1CNC(=O)c1ccc(N2CCCCC2)cc1 38757239 JSYWJPUIXGVHTL-UHFFFAOYSA-N 338.451 4.006 0 40 EIAB Cc1nc(-c2ccc([C@H](C)Nc3cc(Cl)nc(N)n3)cc2)cs1 40067561 QUHDOSTWCRQZKZ-VIFPVBQESA-N 345.859 4.317 0 40 EIAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccoc2C)n1 40111335 RGKNDQMODXJMGS-UHFFFAOYSA-N 332.356 4.112 0 40 EIAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(C)C)cc3)cc2c1 40949246 RAHSJYAOIFYUON-UHFFFAOYSA-N 337.375 4.177 0 40 EIAB Cc1cccc(-c2csc3c(=O)n(Cc4ccccc4)cnc23)c1 44166745 HOAMPBDUECMZKZ-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB Cc1ccc(Oc2ccc(N(C)C(=O)/C=C/c3ccccc3)cc2)nn1 44213771 KGVXDTHZUDMDAR-OQLLNIDSSA-N 345.402 4.254 0 40 EIAB CCc1ccc(C(=O)Nc2cc(Br)ccc2OC)cc1 48444668 SDHWYMLSWJUTBN-UHFFFAOYSA-N 334.213 4.272 0 40 EIAB O=C(N[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccncc1 58115484 QZWAYOBLNLNMLO-OAHLLOKOSA-N 335.432 4.013 0 40 EIAB COc1ccccc1-c1nnc(CNc2ccccc2OC(C)C)o1 62650527 DRSVFZICLXHPTP-UHFFFAOYSA-N 339.395 4.145 0 40 EIAB COC(=O)c1cc(OCc2cccc(Cl)c2)c2ccccc2n1 65033056 XEMJKYHPHZWMQI-UHFFFAOYSA-N 327.767 4.254 0 40 EIAB Fc1ccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1 67262650 UJNUKCQKVNJZBZ-UHFFFAOYSA-N 347.397 4.074 0 40 EIAB COCCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 68681159 PWQRDYUJTADKGG-UHFFFAOYSA-N 340.354 4.141 0 40 EIAB O=S(=O)(Cc1ccccc1F)Oc1ccccc1-c1ccccc1 72085865 JVFKSMHDVBZJCP-UHFFFAOYSA-N 342.391 4.402 0 40 EIAB CCc1nnc(NC(=O)c2ccc(Oc3ccc(C)cc3)o2)s1 72264848 DIBSBFWFVRNQMK-UHFFFAOYSA-N 329.381 4.047 0 40 EIAB O=C(NCCc1ccccn1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 72273315 KRRWACUFYLGXSD-HXUWFJFHSA-N 348.450 4.042 0 40 EIAB O=C(c1ccccc1)N1CCC(c2nnc(-c3ccccc3)s2)CC1 72427571 UNZHAZVYFKLDPI-UHFFFAOYSA-N 349.459 4.225 0 40 EIAB O=C([C@H](NCc1cc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 75126193 HKAVOAZNDGQVOU-OAQYLSRUSA-N 347.462 4.011 0 40 EIAB COCCn1ccc2cc(NC(=O)c3nccc4ccccc34)ccc21 83914495 UZPZWLIQBGLZNO-UHFFFAOYSA-N 345.402 4.088 0 40 EIAB Cc1noc([C@H](C)SCc2noc(-c3cccc(Cl)c3)n2)n1 89718596 KCRIYOLGBINOPO-QMMMGPOBSA-N 336.804 4.076 0 40 EIAB C[C@H](NCCc1ccccc1Br)c1ccc(Cl)nc1 89905004 YIDSOLIPMWGKJL-NSHDSACASA-N 339.664 4.391 0 40 EIAB CSc1ccc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)o1 95395603 BYGRXLVWINHCIL-QGZVFWFLSA-N 342.395 4.055 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)o1 95395902 XJCAUBIWRDCMFG-VIFPVBQESA-N 346.387 4.004 0 40 EIAB CSc1ccc(N(C)C(=O)CCc2nnc(C3CCCC3)o2)cc1 95415211 XQXXJTSOQUMPNF-UHFFFAOYSA-N 345.468 4.045 0 40 EIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)o1 96046528 SIIQLHCHSWKCQM-UHFFFAOYSA-N 330.497 4.138 0 40 EIAB CC(C)n1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2ccccc21 96116820 NTQVWYYJAPEAET-UHFFFAOYSA-N 346.434 4.071 0 40 EIAB O=C(O)Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1 97125295 PMOSTFANXOPOFJ-UHFFFAOYSA-N 325.389 4.016 0 40 EIAB C[C@H]1CCc2sc(C(=O)/N=c3/sc4ccccc4n3C)cc2C1 104992214 WGIBKXPYGBIBDY-JPFDUWQRSA-N 342.489 4.167 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)cc1 113959260 XTZPGZVHCNSSMW-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 219955657 LJQFWKLSFYBXNB-KRWDZBQOSA-N 325.408 4.118 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C(C)C)N21 222704435 OVGICUDSZNVISO-ZTFGCOKTSA-N 340.496 4.443 0 40 EIAB C[C@@H](NC(=O)CSCc1ccccc1)c1ccc2c(c1)CCC2 223152224 REEJJMYYBWZAJP-OAHLLOKOSA-N 325.477 4.286 0 40 EIAB CC(C)NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429364 JBDRFWXYPFKMSN-UHFFFAOYSA-N 337.345 4.169 0 40 EIAB CCCOC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1 225495564 MUHXXFKMQJAUQF-OAHLLOKOSA-N 326.440 4.269 0 40 EIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225821205 RRYKZFPVPAOXQH-OAHLLOKOSA-N 333.350 4.248 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc2ccsc12 390833388 GUQFWZUXXAZNMK-UHFFFAOYSA-N 340.404 4.121 0 40 EIAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1ncc(-c2cccc(Cl)c2)o1 530174791 BCVQMKDSYDZZNB-RYUDHWBXSA-N 348.830 4.069 0 40 EIAB CCCCN1CCOc2ccccc2CCCCC2(CCNCC2)C1 2037918661 NVKLJSJVMYRDDZ-UHFFFAOYSA-N 344.543 4.264 0 40 EIAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 239862 GWODYZHEZLPPAM-UHFFFAOYSA-N 335.436 4.134 0 40 EIAB CN(c1ccccc1)c1cc(Br)nc(Br)c1 343565 VSZCMVVPWORZBT-UHFFFAOYSA-N 342.034 4.375 0 40 EIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1 531684 XORDCRPUQVSDOW-MOPGFXCFSA-N 334.423 4.132 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)no1 1428891 VYRIDIWSNSFKRY-UHFFFAOYSA-N 327.771 4.259 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 3148974 DQQURHNJTWFSNQ-JTQLQIEISA-N 330.236 4.033 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 5454384 XMPDUNWAASGIJX-MNFTWSISSA-N 327.468 4.175 0 40 EIAB COc1ccc(/C=C/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6324811 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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccccc4)[C@H]3C=C12 12660515 PZPFREVHDDOFIN-JFNLBPMOSA-N 339.479 4.090 0 40 EIAB biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](CC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 13408515 DGNCIMCPMIGWCU-CPZQJQDXSA-N 334.500 4.481 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1)CO3 19890867 POIXIUIFKXANAL-UHFFFAOYSA-N 349.430 4.058 0 40 EIAB biogenic CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCCc2ccccc21 19934725 NVLRNAALWGMHLR-QGZVFWFLSA-N 329.827 4.477 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 20108678 HZWYYDVLVMUZCY-HZPDHXFCSA-N 349.430 4.493 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(OC)cc1 20625024 MIQJPWGAVGWVQC-OAHLLOKOSA-N 336.407 4.411 0 40 EIAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1F 20717396 NOVCJHIJZMFFKY-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB C[C@H]1CNc2ccccc2N(Cc2ccc(Br)cc2)C1=O 21793439 NNMQUJGYLNZYAA-LBPRGKRZSA-N 345.240 4.044 0 40 EIAB CN(C)[C@@H](CNCc1ccc(-c2ccccc2F)o1)c1ccco1 22095731 HFYKODGJMWLBCR-KRWDZBQOSA-N 328.387 4.071 0 40 EIAB C[C@@H]1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2S1 22192109 IMSZTGVBTHXQOP-YGRLFVJLSA-N 330.280 4.488 0 40 EIAB c1coc(-c2nc(CSc3nnc(C4CCCCC4)o3)no2)c1 24046347 YWQGVTPGJAPDOR-UHFFFAOYSA-N 332.385 4.053 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(Br)c1 27736853 PAGIOLLQPLRSLA-MRVPVSSYSA-N 328.593 4.187 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)Cn1nc(C)c(Cl)c1C 28297104 XIEHTSHZNJKACS-MRXNPFEDSA-N 345.874 4.094 0 40 EIAB c1ccc2sc([C@H]3CCCCN3Cc3nc(C4CC4)no3)nc2c1 29431820 VKUFFMOPIZZHNJ-CQSZACIVSA-N 340.452 4.284 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1SCC(F)(F)F 32907862 ABPZNVXLNUGNID-JQWIXIFHSA-N 332.391 4.045 0 40 EIAB CC(=O)[C@H]1[C@@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33982302 VSBHRRMYCDQLJF-KSOKIZOSSA-N 341.495 4.265 0 40 EIAB biogenic COc1cccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1 36359803 KSHCLBOORIAKFM-CQSZACIVSA-N 343.452 4.266 0 40 EIAB Cc1cccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 36635846 LBFBXXOKNBPIOF-ZDUSSCGKSA-N 349.217 4.046 0 40 EIAB CC1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 36762295 UAJRPDQBKWOUBY-UHFFFAOYSA-N 337.467 4.149 0 40 EIAB CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@@H](C)COC 40071086 AOMAUSCPDIZXGQ-VMPCVLLUSA-N 337.872 4.451 0 40 EIAB CCC[C@@H](C(=O)Nc1nnc(-c2ccccn2)s1)c1ccccc1 40145854 VKBCIECCUBOFQB-CQSZACIVSA-N 338.436 4.123 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2c(F)cccc2F)C1 40287089 PMKFMDFOPHICJR-LBPRGKRZSA-N 343.308 4.413 0 40 EIAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 40945480 PKAGXALDIUMVAA-UHFFFAOYSA-N 341.432 4.428 0 40 EIAB CC(=N)NCCCCCc1nc2ccccc2n1Cc1ccccc1 41146313 SJFLRKUOFDAINE-UHFFFAOYSA-N 334.467 4.384 0 40 EIAB O=C(C[C@@H]1CCCO1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 57084638 CHXQQUMSOCLKAS-DOTOQJQBSA-N 335.856 4.176 0 40 EIAB Cn1c(-c2cccc(NC(=O)CCc3ccco3)c2)nc2ccccc21 57357211 AMHUFJNLRRGWSX-UHFFFAOYSA-N 345.402 4.405 0 40 EIAB CSc1ccc(CN(C)C(=O)CCC(=O)c2ccc(F)cc2)cc1 58007567 FLJXPBGTWQJAMN-UHFFFAOYSA-N 345.439 4.169 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1C[C@@H]1c1ccccc1 63546501 HNJYBQKKRWYLRQ-IRLDBZIGSA-N 331.463 4.194 0 40 EIAB CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2cc(F)ccc21 64961037 MNRQCZBFHLQMEP-UHFFFAOYSA-N 349.365 4.186 0 40 EIAB Clc1ccccc1Cc1nnc2sc(-c3ccsc3)nn12 71280023 ZCWHCIKYLCGHAP-UHFFFAOYSA-N 332.841 4.159 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1C 72238552 RMUFNFFGQBIKQG-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB Cc1ccc(NCCCNC(=O)Nc2cccc3ccccc23)nc1 72264335 RHKRJQQINJYDKU-UHFFFAOYSA-N 334.423 4.167 0 40 EIAB COc1ccc(CCCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 72285873 BIYRCWSGIFDKAF-QGZVFWFLSA-N 344.480 4.228 0 40 EIAB Cc1cccc(-c2cccc([C@H]3CCCN(Cc4nccn4C)C3)n2)c1 72349995 UOPWELUCVAFBLD-IBGZPJMESA-N 346.478 4.170 0 40 EIAB O=C(Nc1cccc(Cl)c1O)c1c(F)cccc1Br 88375591 OPRIWEDGUDFHIK-UHFFFAOYSA-N 344.567 4.200 0 40 EIAB C[C@H](NC1CCN(c2ccccn2)CC1)c1nc(C(C)(C)C)cs1 95422092 PHOQQWLGAZOYLG-AWEZNQCLSA-N 344.528 4.155 0 40 EIAB C[C@@H](c1ccccc1)[C@](C)(O)C(=O)OCc1ccc(F)cc1Cl 95963507 KTGXYVUOCKSJMA-SGTLLEGYSA-N 336.790 4.077 0 40 EIAB Cc1ccc([C@H](CC(=O)O)NCc2cccc(Br)c2)cc1 95997736 ISFCVEJWKNMIGR-INIZCTEOSA-N 348.240 4.063 0 40 EIAB CC(C)c1noc(CCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)n1 97141258 GLDMHTDJIDVBMN-UHFFFAOYSA-N 347.434 4.092 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100163972 SBAGARNROXJDSI-UEKVPHQBSA-N 327.852 4.017 0 40 EIAB CCc1ccc(NC(=O)Nc2c(NC)c3ccccc3oc2=O)cc1 101094880 FBRZMFHXYIMTFJ-UHFFFAOYSA-N 337.379 4.041 0 40 EIAB Fc1cncc(CSc2nn(-c3ccccc3)c(=S)s2)c1 185187183 KABKSTSHOZNKKL-UHFFFAOYSA-N 335.454 4.490 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2Cl)c1 191466551 CHQXYBOEFVDVBF-UHFFFAOYSA-N 338.190 4.341 0 40 EIAB O=C(CCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)OCO2 199736950 JILVUQUFKHZZNX-UHFFFAOYSA-N 338.281 4.129 0 40 EIAB COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1F 208042544 FHMNWUCDBQPGSF-GOSISDBHSA-N 345.439 4.155 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 216247678 JZXXNLLYMXDUSW-LBPRGKRZSA-N 338.234 4.419 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222622018 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Cc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)cc1 20102858 NQPIKRUJSKHSKP-UHFFFAOYSA-N 328.500 4.046 0 40 EIAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)C(C)C 20611376 UXTPXFRAZZPQEV-UHFFFAOYSA-N 345.786 4.146 0 40 EIAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1F 23544445 KWWPQEWTKIUACI-CQSZACIVSA-N 349.409 4.380 0 40 EIAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(C)oc3C)c2C)cc1 27922135 QRKJKCZJZDIMAR-UHFFFAOYSA-N 337.423 4.319 0 40 EIAB Cc1ccc(NC(=O)c2ccc(SCc3cccnc3)cc2)nc1 32488970 WYYASYOBTNBRLA-UHFFFAOYSA-N 335.432 4.330 0 40 EIAB C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccnc1 32722739 QEKLNPBILULOHJ-INIZCTEOSA-N 332.403 4.152 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)CC[C@H](C)C2 36712403 JYIDCVPKKSTSDL-ZDUSSCGKSA-N 341.476 4.475 0 40 EIAB COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cc(C)ccc2n1 38486808 RFWGTINGAXPSKR-UHFFFAOYSA-N 328.318 4.352 0 40 EIAB Cc1ccc(Oc2cccc(NC(=O)Nc3ccccc3F)c2)nn1 38670765 LNZZJMXHOWOJMR-UHFFFAOYSA-N 338.342 4.360 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C)cc1 38756757 QTAGXGMBCXWPKU-LJQANCHMSA-N 325.452 4.210 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478268 HNRYFDKFKLDXPL-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1 57413456 XFOAZUHFOIFZMN-ZDUSSCGKSA-N 339.826 4.264 0 40 EIAB O=c1sn(CN(C2CC2)[C@@H]2CCc3ccccc32)c2ccccc12 58171434 QSLVIODCHUAPKJ-GOSISDBHSA-N 336.460 4.172 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 64489555 VECFXHWEDCYRBQ-JKSUJKDBSA-N 331.847 4.476 0 40 EIAB Cc1csc(-c2ccc(NC(=O)NCc3c(C)noc3C)cc2)n1 71854028 KVEOVFDNQKRVAO-UHFFFAOYSA-N 342.424 4.045 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 71910107 RGRKWCXPDQZTFK-UHFFFAOYSA-N 345.670 4.297 0 40 EIAB Cc1ccsc1CN1CCC[C@@H]1c1cccc(-n2ccnc2C)n1 72355472 SESCTURNPVEFMW-QGZVFWFLSA-N 338.480 4.283 0 40 EIAB O=C(CCCc1ccccc1)Nc1cnc(Oc2ccccc2)nc1 75172108 ZIKYPPIQQJLOEU-UHFFFAOYSA-N 333.391 4.230 0 40 EIAB Clc1cnccc1CN(Cc1ccccc1)CC1CCOCC1 75721170 YEVZQVDGLGCKBY-UHFFFAOYSA-N 330.859 4.164 0 40 EIAB CC(C)(CCC(=O)OC(C)(C)C)NCc1ccc2ncccc2c1 79051419 BLFVJVBMIPEEKT-UHFFFAOYSA-N 328.456 4.225 0 40 EIAB CC[C@H](C(=O)OCC1CCN(Cc2ccco2)CC1)c1ccccc1 89947868 YFFBIHQGTKWFIX-FQEVSTJZSA-N 341.451 4.229 0 40 EIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)s1)C1CC1 95348670 JLBXPHKOWXSBQE-GFCCVEGCSA-N 346.477 4.135 0 40 EIAB Cn1ncnc1CN[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 95964693 FIBFIFXFOSFRLR-KRWDZBQOSA-N 347.249 4.001 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102024460 NWAJCNWYMSTERC-UYAMPSDGSA-N 348.284 4.403 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](C)c1ccccc1 224441108 FOISYPVDJNOAJP-YOEHRIQHSA-N 331.843 4.417 0 40 EIAB COc1ccc(-c2cnc(-c3ccc(Cl)c(N)c3)o2)cc1OC 226103046 RICLMQRVTHFRPO-UHFFFAOYSA-N 330.771 4.261 0 40 EIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2Cl)c1 226254577 NLRRRLJXCGWKNB-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(F)c2)cc1N 226266438 RUCQVYCCMYYPDY-CYBMUJFWSA-N 327.403 4.039 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 248251027 IZSDRPZNOODBAV-DLRJPAPCSA-N 339.564 4.383 0 40 EIAB CC[C@@H](C(=O)NCc1nccnc1-c1cccs1)c1ccccc1 575620039 IVJSHQKQMQYPHN-OAHLLOKOSA-N 337.448 4.015 0 40 EIAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccccc1Cl 1775968758 USTCLZDLTXNHER-CQSZACIVSA-N 347.823 4.125 0 40 EIAB Cc1cc(C)nc(SCC[S@@](=O)c2ccc(C(C)(C)C)cc2)n1 38920 BTMXEAAEGBJKFH-QHCPKHFHSA-N 348.537 4.291 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)cc1 415732 ITCRZWPRSLSLJL-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB CCc1ccc(OCc2nnc(SC)n2Cc2ccccc2)cc1 419615 MXBJPSMRQRBQGY-UHFFFAOYSA-N 339.464 4.190 0 40 EIAB Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(Cl)c3)sc2n1 422679 DRMKWTPNVFDLMH-UHFFFAOYSA-N 331.828 4.401 0 40 EIAB CCc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 1987233 CLUSUUYFQZVSHB-UHFFFAOYSA-N 339.435 4.342 0 40 EIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C)c1)C3 2117835 FEFJSGHHWRPHJB-UHFFFAOYSA-N 335.403 4.410 0 40 EIAB biogenic CCOC(=O)[C@H](Sc1nc2ccccc2nc1C)c1ccccc1 2710312 JIOKNTVJTFMVIX-QGZVFWFLSA-N 338.432 4.335 0 40 EIAB COc1ccc2ccccc2c1[C@H]1C=C(c2ccccc2)NC(=S)N1 4278879 XUTZLJFTNJFRRR-GOSISDBHSA-N 346.455 4.408 0 40 EIAB Fc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1 4326739 GSBAZCADEZLKKV-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB aggregator CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccncc2)cc1 4656422 UNXYQDJUTSPTDJ-OAQYLSRUSA-N 346.430 4.194 0 40 EIAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc2ccccc12 4839476 PPJJWYOVOYNCSQ-UHFFFAOYSA-N 344.414 4.328 0 40 EIAB CCn1c(SCC(=O)c2ccc(C)c(C)c2)nnc1-c1ccco1 4882076 GLVCLBJCXHVIDC-UHFFFAOYSA-N 341.436 4.150 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C 5043180 YZZLWRCPCIMEHR-BOQPXBONSA-N 325.537 4.088 0 40 EIAB O=C(OCc1c(Cl)cccc1Cl)c1cc(=O)[nH]c2ccccc12 5819326 UJOYFOMNQXXDHO-UHFFFAOYSA-N 348.185 4.192 0 40 EIAB CCCCNC(=O)/C(=C/c1ccc(OC)cc1)c1nc2ccccc2[nH]1 5827860 FHMNFWMUSUESDS-SAPNQHFASA-N 349.434 4.028 0 40 EIAB COc1ccc(SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 6539899 IRHVCUWWQGEJNQ-UHFFFAOYSA-N 325.792 4.219 0 40 EIAB CC(C)(C)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071592 MHGULEYXKOMQKE-UHFFFAOYSA-N 336.229 4.371 0 40 EIAB Cc1c(C(=O)N2CCC(C)CC2)oc2ccc(Br)cc12 8728230 ZKKUUTGOWKJRIL-UHFFFAOYSA-N 336.229 4.376 0 40 EIAB CC(C)/N=c1\ccccn1C(=O)c1cccc(OCc2ccccc2)c1 10798799 IODXAUKQJRKFGK-XTQSDGFTSA-N 346.430 4.065 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc2c(c1)OCO2 12536495 GKYDCJIXQYFWQQ-UHFFFAOYSA-N 338.407 4.048 0 40 EIAB CN(C(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccccc1 13622178 PJDOKAQZTCAEIM-UHFFFAOYSA-N 336.435 4.482 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)CCSCc2ccccc2)c1 13688021 HRMZZCBXMHMKGS-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)cc1 13931712 FFGQIQAHHNFBJT-OAHLLOKOSA-N 328.437 4.161 0 40 EIAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(Cl)cc1 14180825 PGMZGMWRQBETSP-QMMMGPOBSA-N 339.873 4.129 0 40 EIAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCCC[C@@H]12 17175980 LUUHUQFDYJFSSB-RJVLYZLMSA-N 346.081 4.454 0 40 EIAB CN(Cc1ccncc1)Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12 19586599 AXODNPYTJFXREW-UHFFFAOYSA-N 346.409 4.396 0 40 EIAB Cc1cc(-c2cncnc2)cc(C2CCN(C[C@H]3CC=CCC3)CC2)n1 19692132 RDUVAKRBLOMKBQ-SFHVURJKSA-N 348.494 4.383 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)cc1F 23786489 MSEYSIHWSAIKDA-LOWQCSRCSA-N 331.412 4.273 0 40 EIAB CCN1CCC[C@@H]1CNCc1csc(-c2ccc(Cl)cc2)n1 25540732 WFEAESYTNBDHJA-MRXNPFEDSA-N 335.904 4.037 0 40 EIAB CON(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 27070068 CTQKBGAKJCUMLV-BUHFOSPRSA-N 348.402 4.338 0 40 EIAB CCc1cc2c(N3CCC(c4ccc(O)cc4)CC3)ncnc2s1 29531012 XUITUPZMYXTKAI-UHFFFAOYSA-N 339.464 4.343 0 40 EIAB Cc1ccccc1CCNC(=O)N[C@H]1CCSc2ccccc21 32795068 XTHSCIDXZQRUMI-KRWDZBQOSA-N 326.465 4.074 0 40 EIAB COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)cc1OC 36620506 OAMBSPZPNQOCLF-INIZCTEOSA-N 345.826 4.335 0 40 EIAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 38853623 KICRUYRKOJIOSY-UHFFFAOYSA-N 344.405 4.449 0 40 EIAB CCC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccccc1 39975792 UVOMUXWMUUXPKV-KSEUIEODSA-N 337.419 4.129 0 40 EIAB COC(=O)c1ccc(F)c(NC(=O)c2sc3ccccc3c2C)c1 41898306 IFHHZYJAYMMHMI-UHFFFAOYSA-N 343.379 4.388 0 40 EIAB CC(C)c1nc(CC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)cs1 46745763 HCGBGSNEANXAIA-IUODEOHRSA-N 332.469 4.184 0 40 EIAB CCOc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 57416172 QFOPKQRXCZLFEE-UHFFFAOYSA-N 328.799 4.150 0 40 EIAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2)n1 58006457 VVFATBPOBHEONV-UHFFFAOYSA-N 337.398 4.248 0 40 EIAB CC(=O)c1c(F)cccc1NCc1ccc(-n2ccnc2C)c(F)c1 63254750 PAMJAENVXZATGM-UHFFFAOYSA-N 341.361 4.274 0 40 EIAB CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCCc2ccccc21 64445649 GCDCXXPSVCQVFZ-GOSISDBHSA-N 347.462 4.074 0 40 EIAB CCO[C@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 67356686 PMJHNPSRLNROBK-LBPRGKRZSA-N 330.400 4.034 0 40 EIAB CCN(Cc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1)C(C)C 69417521 MLVQOYOITXWHIX-QGZVFWFLSA-N 339.483 4.145 0 40 EIAB CCCCNc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72213698 VPLWNCMCLIEQFO-UHFFFAOYSA-N 349.475 4.171 0 40 EIAB CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 84544368 KZKZRVLFOMHLOG-IRXDYDNUSA-N 335.875 4.107 0 40 EIAB Cc1occc1C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 89540641 QRFLVFYMJCEYCL-QGZVFWFLSA-N 326.783 4.156 0 40 EIAB C[C@@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)Cc1ccc(Cl)cc1 93158151 VMZIZLMQGGVWPX-GFCCVEGCSA-N 342.826 4.042 0 40 EIAB COc1cc(C)ccc1Oc1ccc(NCC2(C)CCOCC2)cn1 95943700 TVPCRBJFIHLJII-UHFFFAOYSA-N 342.439 4.420 0 40 EIAB C[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc23)C[C@@H](c2ccsc2)O1 95965906 ZPLYABLGEGUCBY-PXAZEXFGSA-N 341.436 4.223 0 40 EIAB C[C@@H]1C[C@@H](N[C@H](C)c2ccccc2OCc2ccccc2)CCO1 108160550 QJBBUCADNSODJC-LMMKCTJWSA-N 325.452 4.484 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(CC)cc1 113968817 RMLJIXPBPXBTHP-LJQANCHMSA-N 341.451 4.122 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC)cc1 113970967 DGPZZXRCANEMSV-GOSISDBHSA-N 347.842 4.131 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 218971043 SXTPKXVVMNIDQB-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219957262 QHDVAFGUFRRBJO-GOSISDBHSA-N 339.435 4.426 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)[nH]c3C)N21 222671382 SGKNYOTXVMTUPJ-XOKHGSTOSA-N 326.469 4.006 0 40 EIAB CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(OC)c(C)c1 223167869 BVBSWPDQXQYZIM-CWRQFWGNSA-N 339.435 4.293 0 40 EIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCCOC1CCCC1 225335954 AXUYDJVVDLMQAJ-UHFFFAOYSA-N 344.282 4.392 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)CC(C)(C)c1ccccc1 225598167 QGTZVJHKUYRYID-HNNXBMFYSA-N 349.471 4.169 0 40 EIAB S=C(Nc1ccc(Cl)cc1)NC1(c2ccccn2)CCCC1 225845123 BAPRHINFCKHCCB-UHFFFAOYSA-N 331.872 4.491 0 40 EIAB Cc1cccnc1C(=O)N1CCC[C@H](Cc2cncc3ccccc23)C1 257224008 DZXBSGCGUQEWBF-QGZVFWFLSA-N 345.446 4.033 0 40 EIAB COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)nn2)cc1 408527714 HFJVALLJAAQZFY-UHFFFAOYSA-N 340.766 4.025 0 40 EIAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1cccc(Cl)c1 408529446 HHIRLQYGRYKLDF-MDZDMXLPSA-N 335.794 4.449 0 40 EIAB COC(=O)CCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360872 KHOZXVIOJDXWCK-UHFFFAOYSA-N 342.235 4.250 0 40 EIAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(N)cc1 112358 OUFPCLUUQYRIQE-UHFFFAOYSA-N 330.844 4.010 0 40 EIAB Cn1c(SCC(=O)c2ccccc2OC(F)F)nc2ccccc21 119757 WVPRDVIJHKSROS-UHFFFAOYSA-N 348.374 4.150 0 40 EIAB CCOc1ccc(NC(=O)c2c(N)sc3c2CCCCC3)cc1 130307 FYPBOQIXCPWSOF-UHFFFAOYSA-N 330.453 4.250 0 40 EIAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 525786 MFPKKSWIBKONEN-DLBZAZTESA-N 340.814 4.086 0 40 EIAB O=c1[nH]c(CN2CCCCCC2)nc2scc(-c3ccccc3)c12 2626973 BETRGHBGZDTXSD-UHFFFAOYSA-N 339.464 4.028 0 40 EIAB C[C@@H]1CCc2c(sc3nc(CSc4ccccc4)[nH]c(=O)c23)C1 3342321 DZRMIYJWSGLPDE-LLVKDONJSA-N 342.489 4.402 0 40 EIAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c[nH]1 4891340 VSANTMQOXHDFQX-UHFFFAOYSA-N 337.448 4.424 0 40 EIAB COc1ccc(Cl)cc1NC(=O)Nc1cn(C)c2ccccc12 5265855 ZFZJPGGZEZTZQD-UHFFFAOYSA-N 329.787 4.484 0 40 EIAB Cc1sc2ncnc(S[C@H](C)C(=O)NC3CCCCC3)c2c1C 6113329 SAFLFEZPVKAAPK-GFCCVEGCSA-N 349.525 4.238 0 40 EIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 6304599 OQHMNEGOKQMOFM-YUDLKVPISA-N 332.484 4.242 0 40 EIAB biogenic O=C1C[C@@H](c2cccs2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 6445946 AVBZCDIVERRKSE-NSHDSACASA-N 329.812 4.266 0 40 EIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)S[C@@H](C)C(=O)N2 6678870 JAEXTRAWXLTORX-KSSFIOAISA-N 349.459 4.344 0 40 EIAB Cc1cc(C)n(-c2ncnc3c2c(C)c(C)n3CCc2ccccc2)n1 6760364 DEXQGZUCOVKTEA-UHFFFAOYSA-N 345.450 4.093 0 40 EIAB O=C(NCc1ccco1)c1cc(Cl)ccc1OCc1ccccc1 7687341 HYYRFXMKFKKEEG-UHFFFAOYSA-N 341.794 4.442 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCCc1cccc(Cl)c1 7973981 MJYPASFFPUPUBJ-UHFFFAOYSA-N 341.760 4.260 0 40 EIAB CCn1c(C)cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c1C 10231565 GXHJKCZISFFAMH-UHFFFAOYSA-N 327.453 4.285 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c12 12755589 GDVMLJWLMFLGLP-JTQLQIEISA-N 339.370 4.039 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccccc1OC[C@H]1CCCO1 12939942 BFQOGMQSHCGOJV-OAHLLOKOSA-N 331.799 4.150 0 40 EIAB CSc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1 12996260 IILSOADWLLRZFW-UHFFFAOYSA-N 347.509 4.109 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c(OC)c1 13816228 PIMNXTQOXBWPMV-CYBMUJFWSA-N 330.453 4.060 0 40 EIAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c1 14094286 RYHIFJZUEVNTDQ-ZDUSSCGKSA-N 334.366 4.344 0 40 EIAB Cc1ccc2cccc(OCC(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2n1 14339429 BEVYNXFCBGHRRO-KRWDZBQOSA-N 348.446 4.416 0 40 EIAB O=C(Cc1csc(-c2ccccn2)n1)N[C@H](c1ccccc1)C1CC1 14708883 BWUXCSRJIOWPOS-LJQANCHMSA-N 349.459 4.015 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 15011621 VPUBJQFBPHMLSH-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2cc(F)ccc2C)cc1OC 15077888 BADWXNNDUDDUFC-UHFFFAOYSA-N 337.778 4.447 0 40 EIAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(CC)cc1)C2=O 19323344 XGLHAOCHQPKXTP-UHFFFAOYSA-N 340.511 4.035 0 40 EIAB biogenic S=C1SCN(Cc2cccs2)CN1Cc1cccs1 20223417 DBXXQONEERBWAI-UHFFFAOYSA-N 326.537 4.061 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1ccc2ccccc2n1 20430212 ISBQWEBIEUSOGF-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 20459548 QVBINWXFJXBUMS-MRXNPFEDSA-N 349.430 4.322 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(O)c(C)c1)NCC2 20507009 NQOWXNNPHFBNDI-HXUWFJFHSA-N 341.451 4.042 0 40 EIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](C)C2)o1 20893339 UWWGARYEGHLZIJ-HNNXBMFYSA-N 349.434 4.313 0 40 EIAB O=C(COc1ccc(F)cc1Cl)Nc1nc2ccccc2s1 21836361 LAWPXEGDEVTWQZ-UHFFFAOYSA-N 336.775 4.106 0 40 EIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1 22245954 KZJCMPPGWGYKMZ-UHFFFAOYSA-N 333.432 4.206 0 40 EIAB CC(C)n1nccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 22288312 CIJYHIXAUMAOBF-UHFFFAOYSA-N 339.420 4.337 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1Cl 22558491 CWHDXMIRWJETOM-UHFFFAOYSA-N 327.815 4.199 0 40 EIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H](C)c1cccs1 24780942 UHZDINNFWZAXTH-LBPRGKRZSA-N 330.428 4.439 0 40 EIAB C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 26245097 XNLBXRAPOJRBSQ-JTQLQIEISA-N 344.358 4.207 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OCc2cscn2)c1 26981246 YKRJVHMJJDFKQH-GUYCJALGSA-N 330.453 4.031 0 40 EIAB COc1ccc2nc(C)c(C(=O)NCc3ccccc3Cl)cc2c1 27476520 SQXKZLNYZGWLSO-UHFFFAOYSA-N 340.810 4.135 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)no1 27740235 DMXYWGRRPGNRIE-QGZVFWFLSA-N 340.354 4.277 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)NCc1nc2ccccc2s1 29677145 OSVIWUXGBPZHLZ-ZDUSSCGKSA-N 325.437 4.165 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1O 29794763 AYWAYXWYPOVZAL-UHFFFAOYSA-N 335.388 4.021 0 40 EIAB C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1ccc(F)cc1F 40071633 LAVMHWZEIAHZMP-JTQLQIEISA-N 335.379 4.269 0 40 EIAB Cc1nc(-c2ccc(NC(=O)COC3CCCCC3)cc2)cs1 40141564 JPDXERFGXIYLSP-UHFFFAOYSA-N 330.453 4.406 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 44841519 GJFLRQJGCDGVTJ-UZLBHIALSA-N 341.451 4.429 0 40 EIAB CCOc1cc2ccccc2cc1C(=O)N[C@@H]1CCOc2ccccc21 48289490 QGWITUNOVYJTKH-LJQANCHMSA-N 347.414 4.492 0 40 EIAB CCC(C)(C)NC[C@H](O)COc1cc(C)c(Cl)cc1C(C)C 48343049 IPOWXDYINOKWLN-AWEZNQCLSA-N 327.896 4.290 0 40 EIAB Cc1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004573 RMLVTIKZHXZEHR-UHFFFAOYSA-N 346.434 4.226 0 40 EIAB O=C(NCCSC1CCCC1)Nc1ccc(N2CCCCC2)cc1 57978170 DWKSMJPYJMRYOG-UHFFFAOYSA-N 347.528 4.474 0 40 EIAB c1ccc(Cc2noc(CN3CCC[C@@H]3C3CCCCC3)n2)cc1 58209046 CDFVESZUEWPTFV-GOSISDBHSA-N 325.456 4.205 0 40 EIAB Fc1cccc(-n2ccc(COc3ccccc3Br)n2)c1 60278593 QVZDQFNHJYFVRW-UHFFFAOYSA-N 347.187 4.353 0 40 EIAB O=C(Nc1cccc2ncccc12)[C@H](c1ccccc1)n1cccc1 62021935 KHKBLUYRDUOXCN-FQEVSTJZSA-N 327.387 4.264 0 40 EIAB COC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 62715194 RELIKRFUUOTYKK-JXMROGBWSA-N 347.208 4.214 0 40 EIAB C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)[C@H](C)[C@@H]1C 68593221 QBFXTPLFVTYROG-KYHPRHEASA-N 332.488 4.056 0 40 EIAB CCOC1CCN(C(=O)N[C@@H](C)c2ccc(SCC)cc2)CC1 69587389 LVCLGSGRWGQLIX-AWEZNQCLSA-N 336.501 4.070 0 40 EIAB O=C(C[C@H]1OCCc2sccc21)N(Cc1ccsc1)C1CC1 69595041 WFUDEIYLKOIAFX-OAHLLOKOSA-N 333.478 4.005 0 40 EIAB CC[C@H](C(=O)Nc1ccc(-c2nnc3n2CCC3)cc1)c1ccccc1 69708531 PFQYZSMHWNACIL-SFHVURJKSA-N 346.434 4.024 0 40 EIAB COc1ccc(-c2cnc(C[S@@](=O)Cc3ccc(C)cc3)o2)cc1 69813943 ZFADSPUWRQFQBN-XMMPIXPASA-N 341.432 4.108 0 40 EIAB O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCCC[C@@H]1c1nccs1 72286502 CFJIZSOFFPKXDY-YWPYICTPSA-N 348.418 4.279 0 40 EIAB C[C@H](c1ccccc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 74104042 QFMURYSWLROULO-CQSZACIVSA-N 327.405 4.018 0 40 EIAB O=C(Nc1cc(-c2ccccc2)ns1)[C@@H]1CCOc2ccccc21 77998911 WRCPDXNRVVNWGL-OAHLLOKOSA-N 336.416 4.315 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)NC1(c2nccs2)CCCC1 84590598 NRQBISCBGZFSIA-UHFFFAOYSA-N 339.464 4.143 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@H]1CCc2c(OC)cccc21 84802794 NHWKFNNRDKIGJX-SFHVURJKSA-N 340.423 4.041 0 40 EIAB NNc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccn1 89263549 SHQLNDHKJZYBRW-UHFFFAOYSA-N 337.235 4.465 0 40 EIAB CCc1onc(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 89398643 FOIXWUSZDYALNF-UHFFFAOYSA-N 344.342 4.109 0 40 EIAB CC(C)n1ccc2c(C(=O)NCCc3ccccc3)c3c(nc21)CCC3 94992970 NGAGIXCHRFOFDG-UHFFFAOYSA-N 347.462 4.078 0 40 EIAB Cc1nc(NC(=O)CCOc2ccc3ccccc3c2)sc1C 95349537 DAMRBBNBVXTZBQ-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB Cn1cccc1CN(Cc1cccs1)C(=O)CSC1CCCC1 96025733 KVCSWFQLWIAAHZ-UHFFFAOYSA-N 348.537 4.291 0 40 EIAB Cc1ccc(CN2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)s1 96049272 RXSJNVHXVBPDIP-UHFFFAOYSA-N 348.556 4.307 0 40 EIAB CC[C@@](CNC(=O)Nc1ccccc1Cl)(OC)c1ccccc1 96123824 NBDSWRGQKSKUIP-SFHVURJKSA-N 332.831 4.413 0 40 EIAB Cc1csc(-c2cccc(NC(=O)N(C)Cc3ccccn3)c2)n1 96403212 UTGAPJKFNIEFAO-UHFFFAOYSA-N 338.436 4.177 0 40 EIAB C1=C[C@H]2[C@@H]3C[C@H](C[C@H]3OCCO[C@@H]3C[C@@H]4C[C@@H]3[C@H]3C=CC[C@H]43)[C@H]2C1 100197778 PSUKSRYRAXNSIY-ABKVGZMKSA-N 326.480 4.221 0 40 EIAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccc(F)cc3)C2=C(O)C1 102753277 ITVSEICFQQOSST-AWEZNQCLSA-N 328.347 4.080 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1 218970976 HEAWNRPRLOJZKV-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 219480849 JHOXBOXJGWTZLF-AWEZNQCLSA-N 349.883 4.157 0 40 EIAB Cc1ccc(SCC(=O)Nc2nnc(SC(C)C)s2)cc1 223989668 BICURTCQRCOYRH-UHFFFAOYSA-N 339.511 4.078 0 40 EIAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 224293600 FLKNHAJNBFKVRP-UHFFFAOYSA-N 346.434 4.079 0 40 EIAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)N1CCCC1 225151149 DHSLTSQOMDAHRI-KRWDZBQOSA-N 345.826 4.224 0 40 EIAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)NCCC)cc1 225493341 IDBXMXPJAADQJS-UHFFFAOYSA-N 325.456 4.495 0 40 EIAB COc1ccccc1CCCNC(=S)Nc1ccc(Cl)cc1 225549242 YHOSTOSWWROLFN-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CC1CCN(CCCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1 225592599 FTHUQEQVPBTYEJ-UHFFFAOYSA-N 332.488 4.172 0 40 EIAB CO[C@H](CNC(=O)CCCc1ccccc1)c1ccc(Cl)s1 225701243 DBFGAUHAYLZOKY-CQSZACIVSA-N 337.872 4.228 0 40 EIAB CC[C@H](Cc1ccccc1)c1nc(-c2ccc(N3CCCC3)cn2)no1 547203600 KJAWZXQNLMGUBZ-QGZVFWFLSA-N 348.450 4.468 0 40 EIAB CC[C@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 585124414 CIKSWPBLUWUOOQ-CABCVRRESA-N 328.412 4.184 0 40 EIAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ccsc2)C1 675008421 XSBLHLBMDOILPV-LBPRGKRZSA-N 325.355 4.397 0 40 EIAB c1ccc2oc([C@H]3CCCN(c4cc(C5CCC5)ncn4)C3)nc2c1 1888910371 SBIDBRBYEQJEPH-HNNXBMFYSA-N 334.423 4.269 0 40 EIAB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(CC)oc2cc1O 45101 NBFMAPDGEYTKPX-UHFFFAOYSA-N 348.402 4.177 0 40 EIAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2cc(O)ccc12 57979 KPJSRHQRNCHUAP-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB biogenic CCOc1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 113545 SSBUEYBXKSIDOF-VBKFSLOCSA-N 346.224 4.460 0 40 EIAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 530982 XAMFNQMZKVBLAZ-HNNXBMFYSA-N 349.434 4.146 0 40 EIAB C[C@@H]1C[C@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 552501 MOGCLMUWPUAISZ-CABCVRRESA-N 335.455 4.442 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 568260 SNXKDSKQECXFPP-UHFFFAOYSA-N 340.467 4.163 0 40 EIAB COCc1cc(N2CCCC2)nc(SCc2ccc(Cl)cc2)n1 1389099 GKUPOJZJNNSVJK-UHFFFAOYSA-N 349.887 4.169 0 40 EIAB CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)P(=O)(OCC)OCC 1703524 VHFAWKBEYCWBFW-CQSZACIVSA-N 348.763 4.080 0 40 EIAB C[C@@H]1C[C@@H](NC(=S)NC(=O)c2ccccc2Cl)CC(C)(C)C1 1735498 IBIVLKJURKYXDH-VXGBXAGGSA-N 338.904 4.159 0 40 EIAB NCCSc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 2525203 FDPWAZZMGNKDCZ-UHFFFAOYSA-N 340.292 4.323 0 40 EIAB biogenic Cc1csc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)n1 2625746 LIOINMQTQKQTGI-UHFFFAOYSA-N 346.477 4.486 0 40 EIAB O=C(CCCc1nc2ccccc2s1)NCc1ccccc1F 2635633 NWIYPTABNIOAFQ-UHFFFAOYSA-N 328.412 4.075 0 40 EIAB COc1ccccc1NC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 2663433 WCMHPLBNNOHICT-UHFFFAOYSA-N 344.758 4.043 0 40 EIAB CCN(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3276159 JSQAIEVQMQTGEN-UHFFFAOYSA-N 339.435 4.194 0 40 EIAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccccc2)n1 4167431 OAIWOPMMMAYCFK-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB COc1ccc(-c2nn(CN3CCCCC3)c(=S)n2C(C)C)cc1 5066501 BRKLUYAEPDPKCX-UHFFFAOYSA-N 346.500 4.114 0 40 EIAB O=c1c2cc(Cl)ccc2nc(-c2ccc(Cl)cc2Cl)n1O 5427214 BUEVVHLDBFJMOC-UHFFFAOYSA-N 341.581 4.261 0 40 EIAB COc1cc(SC)ccc1C(=O)N[C@@H]1CCCc2ccccc21 5442953 XJSJKZYEQHTKFU-QGZVFWFLSA-N 327.449 4.225 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 5541078 UBBRWYJKIBNMBP-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CCCCCNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5556084 GGCYAGAHWMNVKG-NSHDSACASA-N 329.473 4.066 0 40 EIAB Cc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)o1 6588779 DSIXUZOYOBVUNL-UHFFFAOYSA-N 330.434 4.442 0 40 EIAB Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)nc1 7368140 HYSZVGZXASBEJX-UHFFFAOYSA-N 337.901 4.122 0 40 EIAB CCC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 8388797 GDLKWVKBBBGYKC-OAHLLOKOSA-N 327.424 4.193 0 40 EIAB COc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(F)cc1 8470230 HQCBCIJNFHNZJA-UHFFFAOYSA-N 335.806 4.319 0 40 EIAB Cc1cc(Nc2ccc(Cl)cc2C)nc(-n2nc(C)cc2C)n1 8598696 AEGDWCGYUXOVOU-UHFFFAOYSA-N 327.819 4.293 0 40 EIAB Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063458 SSIAEVFAYBTNPQ-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB O=C(OC/C=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1 9180651 DXXHBGKQGFSABD-JLHYYAGUSA-N 344.410 4.179 0 40 EIAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1ccccc1Cl 9190762 ZZZHHAILVNIWDS-UHFFFAOYSA-N 338.798 4.007 0 40 EIAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccccc1 9355723 TUFDNMILHJIMCF-SFHVURJKSA-N 334.423 4.316 0 40 EIAB CCOc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 9710511 RHFCBLDTPQMIFC-UHFFFAOYSA-N 341.436 4.359 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1-n1cncn1 9750901 VKBRGLGFMLLGEZ-UHFFFAOYSA-N 348.193 4.218 0 40 EIAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cc(OC)c1 9958043 LTFCYYHSVZGUOX-CFGKVWFZSA-N 337.419 4.081 0 40 EIAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n1 10431160 PLRMYEMCRUBFQD-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB O=C(NCCCc1nc2ccccc2s1)c1cccc2cccnc12 11177348 BMDKGKLIQMENRW-UHFFFAOYSA-N 347.443 4.207 0 40 EIAB CC[C@@H](C(=O)OCC(=O)Nc1cccc(SC)c1)c1ccccc1 11582592 CDRJYAHXOXRIOQ-QGZVFWFLSA-N 343.448 4.084 0 40 EIAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1cccc(F)c1 11620797 FDZVVWWCFDKMJW-UHFFFAOYSA-N 347.821 4.130 0 40 EIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c3cccnc23)c1 12815879 CRZOYLNGCNWBBG-UHFFFAOYSA-N 339.782 4.099 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1 12919644 HTAGYPZMXWTCBM-UHFFFAOYSA-N 329.346 4.055 0 40 EIAB c1csc(-c2nc(N3CCCCC3)ncc2-c2ccsc2)n1 13268361 PVRRSDKGEZEPKF-UHFFFAOYSA-N 328.466 4.319 0 40 EIAB Cc1cccc(-c2nnc3sc(COc4ccccc4C)nn23)c1 13945099 YZRBJNMQHZKGRH-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 15519722 NPZMWPXCUQNCKY-GJZGRUSLSA-N 329.465 4.096 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C 20105773 OGFCIPMMWKOJMT-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB O=C(NC[C@H]1CCCO1)c1ccc(CSCc2ccccc2)cc1 20238941 KRANLUHIPDNXCH-LJQANCHMSA-N 341.476 4.029 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C 20485671 JRYZVXQUMUBASU-INIZCTEOSA-N 338.451 4.013 0 40 EIAB Cc1ccc(S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 24958631 XDCWDDBIHIBGOQ-ZDUSSCGKSA-N 337.452 4.359 0 40 EIAB CCOc1ccccc1NC(=O)c1cc2cc(OC)ccc2nc1C 25767093 IQPQWBIXGMIGCZ-UHFFFAOYSA-N 336.391 4.203 0 40 EIAB Cc1csc(NC(=O)c2sc(Cc3ccccc3)nc2C)n1 32914343 MANWKFJHMRUKSO-UHFFFAOYSA-N 329.450 4.060 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCc2ccccc2C1=O 35316517 FKVXZDFVERTKAL-SJORKVTESA-N 329.440 4.221 0 40 EIAB Clc1ccc(Cl)c(-c2nnc3sc(-c4cccnc4)nn23)c1 36364862 LXEMWPHPXQRREP-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(F)c(F)c1 36391258 HRDXOMCQFLALGC-CQSZACIVSA-N 340.373 4.175 0 40 EIAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832253 YNRFFQIQGWXJBD-CHWSQXEVSA-N 343.298 4.120 0 40 EIAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 40108632 KVZOFBMXEYOCMC-GFCCVEGCSA-N 348.431 4.177 0 40 EIAB Cc1noc(-c2ccc(NC(=O)c3ccc(F)cc3Cl)c(C)c2)n1 40555280 SOBSWYICBPTBSM-UHFFFAOYSA-N 345.761 4.398 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CCN(CCC(C)C)C1CC1 48354051 UYPHDAZOCDHIOY-UHFFFAOYSA-N 338.879 4.188 0 40 EIAB O=C(O)c1cnc(-c2cccc(Cl)c2)nc1Nc1ccccc1 49469645 SVGVCCBYYPCXSF-UHFFFAOYSA-N 325.755 4.239 0 40 EIAB O=C(c1ccc2c(c1)OCO2)N(CCc1ccccc1)c1ccccc1 58367024 AZRIFVFYHROHMC-UHFFFAOYSA-N 345.398 4.305 0 40 EIAB O=C(Nc1ccccc1Sc1nncs1)[C@@H]1C[C@@H]1c1ccco1 69566779 LXOZGHUUDWWWJU-WDEREUQCSA-N 343.433 4.025 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccco3)cc2)nc1 79101731 LAZBGGKSRAHCOV-UHFFFAOYSA-N 337.379 4.439 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc2ccccc2o1 79440540 NADCSOYLAAERSG-CYBMUJFWSA-N 331.416 4.029 0 40 EIAB CCc1ccc(-c2noc(CN(C)[C@@H](CC)c3ccncc3)n2)cc1 95446806 LEGKXAMNGNOHFP-SFHVURJKSA-N 336.439 4.277 0 40 EIAB CCOc1ccc(NC(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)cc1 95465789 LXPCMRPRQDMANA-AEFFLSMTSA-N 334.460 4.191 0 40 EIAB Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccsc4)C3)C2)o1 96046936 PZQPKGSIKJNPQD-LJQANCHMSA-N 330.497 4.138 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)NC1CCC(OC(C)C)CC1 97108271 MHRLYGMGLOAZSU-UHFFFAOYSA-N 342.439 4.116 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102067643 SQBCHPAUYMODSD-IQGAEYHTSA-N 345.398 4.099 0 40 EIAB CCOC(=O)c1ccc(N)c(NCc2cccc(C(F)(F)F)c2)c1 103016231 XHFUQDMNPHIITM-UHFFFAOYSA-N 338.329 4.076 0 40 EIAB CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@H]3[C@H]2C 105367116 OPDBPJWZYLLHKS-RSEMWIDTSA-N 344.451 4.141 0 40 EIAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCCC[C@H]1c1nccs1 106916465 JPGNXSCXHLUVHX-NFAWXSAZSA-N 348.418 4.279 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 223516262 GYIWNZZBYUEZCW-AWEZNQCLSA-N 331.843 4.245 0 40 EIAB S=C(Nc1ncc(Cl)cc1Br)NC1CCCCC1 224036469 XWAVKNRQSPYJJZ-UHFFFAOYSA-N 348.697 4.117 0 40 EIAB Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccccc2)cc1Cl 224119633 OMJGBTWDQXUKQF-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1Cl 224136937 GVDRPPIQRLRGNQ-UHFFFAOYSA-N 345.826 4.164 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224141896 FHFGHDZZXIZHTH-CYBMUJFWSA-N 347.842 4.456 0 40 EIAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1 225618083 ZMRYUJICULRTPU-MRXNPFEDSA-N 332.241 4.259 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3C)cc2c1 226036557 SINSOMSFXNFENU-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 252695205 WGYHVQYXJNPQAA-FFSPKELQSA-N 332.484 4.099 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](Cc3ccc4ncccc4c3)CC2)no1 257300744 RVNPSUDNKZYWAC-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CC[C@H]1CC[C@H](C(=O)Nc2cccc(NC(=O)N(C)C)c2C)CC1 279333899 CAZIQYBUOOBGAK-SHTZXODSSA-N 331.460 4.243 0 40 EIAB Fc1ccc(COc2ccc(C(=S)NCc3ccco3)cc2)cc1 408577843 UTIYAHACZLIJJY-UHFFFAOYSA-N 341.407 4.463 0 40 EIAB O=C(CCCc1ccncc1)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412860 UBASCEWOHZHVDS-YVNJGZBMSA-N 334.463 4.103 0 40 EIAB Cc1oc(-c2ccsc2)nc1CN1CC[C@@H](c2ccncc2)C1 566569596 YBZHXMIBBNCDGE-OAHLLOKOSA-N 325.437 4.096 0 40 EIAB O=C(COCc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1 575360032 BTUUABGSVRAWMW-UHFFFAOYSA-N 342.288 4.323 0 40 EIAB O=C(NCC(c1ccco1)c1ccco1)c1ccccc1C(F)(F)F 675007796 QECKSQPHJPKJNH-UHFFFAOYSA-N 349.308 4.453 0 40 EIAB CC(C)(C(=O)Nc1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1135217203 VVTWBVAFEZRKOH-UHFFFAOYSA-N 347.340 4.498 0 40 EIAB Clc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2CCC3)cc1 113738 OIZBXXINJIVFKO-LJQANCHMSA-N 348.837 4.347 0 40 EIAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(O)c2)C3=O)cc1 211344 VVLFYSLLIWBWJF-UHFFFAOYSA-N 345.354 4.294 0 40 EIAB CCc1c(C)c2ccc(OCC(=O)c3ccc(C)cc3)cc2oc1=O 499776 UYJKNUHVSNXIGD-UHFFFAOYSA-N 336.387 4.234 0 40 EIAB CC(C)CC(CC(C)C)NC[C@H](C)OC(=O)c1ccc(N(C)C)cc1 1715253 AEOQPTWXOZLPNF-KRWDZBQOSA-N 348.531 4.348 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2)n1 2798341 GKKGYWTUWNOASI-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB C[C@H]1CCc2c(sc3nc(CSc4ccccc4)[nH]c(=O)c23)C1 3342320 DZRMIYJWSGLPDE-NSHDSACASA-N 342.489 4.402 0 40 EIAB COC1=CC2=CC[C@H]3[C@H](C(=O)C[C@@]4(C)[C@@H]3CC[C@]43CO3)[C@@]2(C)CC1 4024202 AKWAWNXESMOSLR-YBZCJVABSA-N 328.452 4.037 0 40 EIAB biogenic Clc1cccc(Cl)c1CNCCCSc1ncccn1 4984082 QNERUMMVFZFOBM-UHFFFAOYSA-N 328.268 4.055 0 40 EIAB COc1ccccc1Nc1ncnc2c1c(C)c(C)n2-c1ccccn1 5345185 HEJFDCIEHLKYQX-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB CCN(CC)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 6382422 XBFAJTKXXAAQQB-SFHVURJKSA-N 348.284 4.491 0 40 EIAB CCOc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6538219 JXSOEMDFEGIMNN-YVLHZVERSA-N 341.794 4.392 0 40 EIAB CCc1ccc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 6549555 MXFIOYZTLBPKSA-UHFFFAOYSA-N 339.435 4.495 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCCc3ccccc3)cs2)cc1 6669704 BGUNBRHWUFSZKI-UHFFFAOYSA-N 336.460 4.020 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 7085905 LNHANBUWBDPOGR-INIZCTEOSA-N 336.218 4.392 0 40 EIAB COCc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 7474353 FUEWYBIEJWOWPJ-UHFFFAOYSA-N 334.213 4.156 0 40 EIAB COc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1 7969495 PLQKKXRJWBGPAW-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB Fc1cccc(-c2nn3c(CSc4ccccc4)nnc3s2)c1 8393122 GRMLUZHGRQIDKK-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB Sc1nnc(-c2ccc3ccccc3n2)n1[C@@H]1CCc2ccccc21 8766774 QPQIHEMLHRQKST-GOSISDBHSA-N 344.443 4.318 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Nc2cccc3cccnc23)n1 9486591 BCZIEXPFKJYLHQ-UHFFFAOYSA-N 344.827 4.043 0 40 EIAB CCc1ccc(N2C[C@@H](c3nc(-c4ccc(C)cc4)no3)CC2=O)cc1 10336571 JZTQTFFFAYFEEM-KRWDZBQOSA-N 347.418 4.128 0 40 EIAB Cc1nn(Cc2ccccc2Cl)c2nc(C3CC3)cc(C(=O)O)c12 12394559 WKZGJAAFAZDAAK-UHFFFAOYSA-N 341.798 4.017 0 40 EIAB C[C@@H](NC(=O)NCc1ccccc1)c1ccccc1Br 12765211 UDAANFJYWFAHJE-GFCCVEGCSA-N 333.229 4.010 0 40 EIAB O=C(CCc1ccsc1)Nc1cc2c(cc1Cl)OCCCO2 12774774 MDKYUDDEKJVSFX-UHFFFAOYSA-N 337.828 4.134 0 40 EIAB CCCc1nnc(NC(=O)c2cc3ccccc3cc2OCC)s1 14184440 OPEWSUONYVUBIL-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB Fc1cc(Br)ccc1NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 16221430 IXWVPOWWXUNOCG-RWEMILLDSA-N 343.265 4.063 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)c1csc(-c2cccs2)n1 18086213 SEHPWSXGGHAPKI-NSHDSACASA-N 344.461 4.371 0 40 EIAB O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145243 DPKKEIYGMHWEFT-VMPITWQZSA-N 343.766 4.337 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1 20487019 GLJWJWZKDYFOOK-OAHLLOKOSA-N 325.742 4.414 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2F)cc1 22072828 BXZQIUMHFSUFKV-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1cc(C)c(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c(C)c1 22235479 AQOGJAYYLOBVAL-UHFFFAOYSA-N 346.430 4.125 0 40 EIAB Cc1cc(CNC(=O)Cc2csc(-c3cccs3)n2)ccc1F 24747190 QQJUJLONNAMFMB-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB O=C(Nc1ncccn1)c1ccc(COc2ccc3ccccc3c2)o1 28306196 GYPMMUHVHOIPFY-UHFFFAOYSA-N 345.358 4.054 0 40 EIAB CNC(=O)Nc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 32903293 DSKXMKZKCGTUIB-UHFFFAOYSA-N 343.383 4.044 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(SC)c1 44899744 SDUDWNBCKRGBCO-QGZVFWFLSA-N 331.437 4.213 0 40 EIAB CCOc1ccc(C2=N/C(=C/c3csc(C(C)C)n3)C(=O)O2)cc1 48354361 QSVGNDWNOFECNY-OQLLNIDSSA-N 342.420 4.010 0 40 EIAB O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccsc2)o1 49029162 NOJNBJUCBSDVTE-UHFFFAOYSA-N 349.412 4.058 0 40 EIAB O=c1ccc(-c2ccccc2)nn1Cc1ccccc1SC(F)F 52892881 QWVVHBPOCOPXPR-UHFFFAOYSA-N 344.386 4.273 0 40 EIAB COc1ccc(Cc2nnc(SCc3ccccc3C)o2)cc1 57805854 LFRBZDUTZNWUBK-UHFFFAOYSA-N 326.421 4.270 0 40 EIAB CN1C(=O)N(c2ccccc2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 58201572 DFCBZKAJXIFKDK-AWEZNQCLSA-N 335.190 4.133 0 40 EIAB Cc1cnc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)s1 61997168 QWTZTSIQXHUJMV-UHFFFAOYSA-N 343.408 4.146 0 40 EIAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2c1 71459186 VWQNSHGZFDMVRP-UHFFFAOYSA-N 333.313 4.222 0 40 EIAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1C(=O)c1ccccc1 72219287 FGHTYULXJZRNSA-FQEVSTJZSA-N 349.478 4.358 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccn(-c2ccccc2)n1 72292590 QYVPCWMODSVWJC-GOSISDBHSA-N 349.438 4.272 0 40 EIAB CCCc1cc(N2CCCC[C@H]2c2cccc(C)c2C)n2ncnc2n1 72307632 CTDOQEUBTNEYJP-IBGZPJMESA-N 349.482 4.425 0 40 EIAB Cc1cc(C)cc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)c1 72329818 SCJMEOONRJLZAV-UHFFFAOYSA-N 349.814 4.477 0 40 EIAB CC(C)C(=O)OC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78822716 UPXITFPVTSHUBP-GOEBONIOSA-N 343.389 4.288 0 40 EIAB Cc1nc(SCCC(=O)O)c2scc(-c3ccccc3)c2n1 82237997 NMEAPVKIQLGECH-UHFFFAOYSA-N 330.434 4.234 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@H]1c1ccc(F)cc1F 89769581 PKBGSCAHWWXHBT-PVAVHDDUSA-N 349.421 4.066 0 40 EIAB FC(F)(F)Cn1ccnc1CN1CCC(=Cc2ccccc2)CC1 89828179 UCRXQIDKMJPWBG-UHFFFAOYSA-N 335.373 4.125 0 40 EIAB CCc1cnc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)o1 95414840 BYNAVSZLIMDTCX-AWEZNQCLSA-N 336.819 4.060 0 40 EIAB O=C(N[C@@H](CCO)C1CCCCC1)c1ccc(Cl)cc1Cl 95426649 ICINSIWSUACCAL-HNNXBMFYSA-N 330.255 4.055 0 40 EIAB COc1ccc([C@@H](OC)[C@H](C)NCc2cnc(C(C)(C)C)s2)cc1 95459054 KNTBNDQNQAETKB-GUYCJALGSA-N 348.512 4.315 0 40 EIAB CCOc1ccccc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 95481397 WFPJHLORSKELNV-AWEZNQCLSA-N 346.224 4.126 0 40 EIAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(Cl)cc1Cl 107130866 ZIFYFBDYJJYAHN-UHFFFAOYSA-N 342.247 4.053 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 113970233 YPBVHLVTGIMCRP-YJBOKZPZSA-N 329.415 4.477 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(OC)c1 216389301 DAQLRJXCHMYUMM-HNNXBMFYSA-N 343.423 4.035 0 40 EIAB Cc1cc(OCC(=O)n2c(C)c(CO)c3ccccc32)ccc1Cl 216760494 SJQVXYCFYDQVAZ-UHFFFAOYSA-N 343.810 4.123 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 218811164 ORMOYUMYMAVJTH-SFHVURJKSA-N 341.451 4.131 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccc(OCC)c(C)c2)cc1 222769076 UFXLWIBBTHBCNV-UHFFFAOYSA-N 341.451 4.155 0 40 EIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223538855 RCZGYJBZIYJSLO-QGZVFWFLSA-N 337.463 4.300 0 40 EIAB CC(C)Oc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 224171186 JEWYXMNFASKYQR-UHFFFAOYSA-N 339.435 4.161 0 40 EIAB CCNC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224297812 HKVVAMJBGAZBJL-UHFFFAOYSA-N 335.403 4.177 0 40 EIAB Cc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)c(C)c1 224961514 ITPDWIWFJUSAPH-UHFFFAOYSA-N 333.884 4.408 0 40 EIAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 225400103 CKIDNHFZXYQZMC-AWEZNQCLSA-N 339.435 4.246 0 40 EIAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225596870 LVZFBDVPIANBMI-QGZVFWFLSA-N 344.499 4.459 0 40 EIAB CC(C)N1CCC[C@@H]1c1cccc(-c2cc(F)ccc2C(=O)O)n1 257284860 PEQGBHMHSSPEBD-GOSISDBHSA-N 328.387 4.131 0 40 EIAB O=C(O)C1=Cc2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1 504573781 FSUAQJPMMLSXQB-UHFFFAOYSA-N 334.202 4.482 0 40 EIAB COc1cccc([C@H](C)NC(=O)Nc2ccc3ncsc3c2)c1 521442036 OITGMGHUNBVYRP-NSHDSACASA-N 327.409 4.188 0 40 EIAB Clc1ccc(NC2(c3noc([C@@H]4CCCCO4)n3)CCC2)cc1 1616037404 ANPXTLOTAHNQHP-AWEZNQCLSA-N 333.819 4.456 0 40 EIAB CC(=O)O[C@@H]1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)C1(C)C 118690 UAUUBSHOVAJNJQ-RBUKOAKNSA-N 339.391 4.213 0 40 EIAB CCCc1nc2sc3c(OCC)ncnc3c2c2c1CCCC2 506718 XDMYMDLUKWXBGL-UHFFFAOYSA-N 327.453 4.470 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1 539728 XZALIXSEDICSQV-LBPRGKRZSA-N 343.448 4.302 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccco1 1390499 WBLLFEUZKJOYFP-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB O=C(CCCOc1cccc(Br)c1)Nc1ccccc1 3534056 MXXOWPSAVCPCBP-UHFFFAOYSA-N 334.213 4.247 0 40 EIAB CCn1c(SCCOc2ccccc2)nnc1-c1ccccc1F 7341887 HHCHYOWLMYHHHY-UHFFFAOYSA-N 343.427 4.275 0 40 EIAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1 7909690 FXOIQELZGMXDDO-INIZCTEOSA-N 337.448 4.072 0 40 EIAB COc1cccc(CCC(=O)Nc2cc(Cl)ccc2C)c1OC 8304370 YBSYLXXJJUTIST-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CCOc1ccc(OCCCc2nc(-c3ccccc3C)no2)cc1 8428320 ASGPLQBGSCBHJG-UHFFFAOYSA-N 338.407 4.455 0 40 EIAB O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)C1CC1 8986208 PBVFGTQDXGIPPK-UHFFFAOYSA-N 339.782 4.406 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(C)c2C)CC1 9062881 SNVMWLLYDBXRPQ-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB O=C1C[C@@H](c2cccs2)Cc2nc(N3CCc4ccccc43)ncc21 9264510 XSNPLVKXWRJPOD-AWEZNQCLSA-N 347.443 4.145 0 40 EIAB CC(C)c1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709623 ZKLIULVLTDKVGI-UHFFFAOYSA-N 347.422 4.051 0 40 EIAB CC(=O)c1sc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)nc1C 10109629 ZRMLOMGDLJNJQQ-GFCCVEGCSA-N 334.466 4.082 0 40 EIAB CCN(C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 10383922 XPGXFFFUOJABEZ-OTNIWXAGSA-N 349.559 4.235 0 40 EIAB COc1ccccc1-c1cc(CSc2nc(C(C)(C)C)n[nH]2)on1 12260521 ZDDJBUWWUQBHOS-UHFFFAOYSA-N 344.440 4.058 0 40 EIAB C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 12565046 OJZCIJPOSCEBPN-LBPRGKRZSA-N 331.847 4.472 0 40 EIAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2)cc1OC 12821262 BAHZNYXAKUJBGI-MDZDMXLPSA-N 331.799 4.399 0 40 EIAB COc1ccc(Cl)cc1C(=O)n1cccc/c1=N\C1CCCCC1 12869509 CTLACVAGYDGDPC-DYTRJAOYSA-N 344.842 4.072 0 40 EIAB Cc1ccc(F)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 12916317 ZLVSLOPUPUNQNT-UHFFFAOYSA-N 331.435 4.175 0 40 EIAB O=C(Nc1cccc2ncccc12)c1ccc(OC[C@H]2CCCO2)cc1 12935601 QUSZBHLJFKAHCL-QGZVFWFLSA-N 348.402 4.045 0 40 EIAB CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 13843313 OZJDDQSDIZHQKN-UHFFFAOYSA-N 336.391 4.213 0 40 EIAB CCn1c(Cc2cccs2)nnc1SCc1ccc(F)cc1 14112929 GJEFWWFYYAAXSU-UHFFFAOYSA-N 333.457 4.382 0 40 EIAB O=C(/C=C/c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 15615910 DGKLKAGTEPRNHW-MDZDMXLPSA-N 347.443 4.150 0 40 EIAB CCCCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 18107045 SCYGGCDCGJZWAB-KDURUIRLSA-N 341.451 4.491 0 40 EIAB Clc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 19831764 SAENLZONYFOWOQ-UHFFFAOYSA-N 328.887 4.090 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 19932139 WZDKUNOYBYOXRV-KRWDZBQOSA-N 341.451 4.094 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCCCC1 21170622 YAEIKIWUTSVPSN-LJQANCHMSA-N 348.918 4.140 0 40 EIAB Cc1ccc(C)c2sc(NC(=O)[C@@]3(C)CC3(Cl)Cl)nc12 22191682 HBKFCJALKKVMBG-CYBMUJFWSA-N 329.252 4.436 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 22394070 WDNXKAOYWXNMNJ-UHFFFAOYSA-N 346.390 4.016 0 40 EIAB O=C(NC1CCC(c2ccccc2)CC1)C1C[C@@H]2CCC[C@H](C1)C2=O 25098056 QNKWFPGDXBXLEY-HGVRWNOSSA-N 339.479 4.224 0 40 EIAB O=C(CSCc1csc(-c2ccco2)n1)Nc1cccc(F)c1 31420531 WPAKBBMWWFPMTP-UHFFFAOYSA-N 348.424 4.414 0 40 EIAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[C@H]3CCCCO3)c2C1 32964023 DDMJMHYIUTXHRB-HUUCEWRRSA-N 339.435 4.086 0 40 EIAB COc1ccc(CC(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1F 33216883 KSVPFVDHWHEGIT-UHFFFAOYSA-N 342.370 4.280 0 40 EIAB CCC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccc(Cl)cc2)c1 55848572 UCMGZYFZYNLDGY-UHFFFAOYSA-N 345.830 4.048 0 40 EIAB Cc1ccc(-c2csc3ncnc(N[C@H](C)C(C)(C)O)c23)cc1 58407152 RWWLKXYPECIENS-GFCCVEGCSA-N 327.453 4.238 0 40 EIAB CCn1c(CN(C)C(=O)Nc2ccccc2Cl)nc2ccccc21 58423330 NMEYLCUHYPZUAD-UHFFFAOYSA-N 342.830 4.374 0 40 EIAB C[C@H](OC(=O)c1cccc(F)c1)c1nc2ccccc2n1C(F)F 58511911 YIBJLVMUKARPMJ-JTQLQIEISA-N 334.297 4.489 0 40 EIAB COC(=O)c1ccc(Nc2ccnc3cc(Cl)c(OC)cc23)cc1 64874608 MQFHFAPAIHXNOY-UHFFFAOYSA-N 342.782 4.427 0 40 EIAB C[C@@H]1CN(C(=O)Nc2cccc3cccnc23)C[C@H](c2ccccc2)O1 67559203 AFFJXOHYKJOMIE-DNVCBOLYSA-N 347.418 4.229 0 40 EIAB CCOc1ccccc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 71841891 XBIRNCUVMUCMQA-ROUUACIJSA-N 339.435 4.188 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCc1ccccc1C(F)(F)F 72331755 DQVDPEXZKBTGMU-UHFFFAOYSA-N 343.732 4.297 0 40 EIAB C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(Br)c2)C1 76068611 NKNXCEKASUYWFY-RYUDHWBXSA-N 325.250 4.492 0 40 EIAB Fc1cc(Oc2ncnc3ccsc23)ccc1Br 78528541 RUKVIODOKOEMQG-UHFFFAOYSA-N 325.162 4.385 0 40 EIAB CCC[C@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1cc(F)ccc1C 89949761 XDSHYHWFEAJAAR-HNAYVOBHSA-N 343.446 4.329 0 40 EIAB CNC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c3ccccc23)c1 95420959 MCDUPVXZZYQSPG-OAHLLOKOSA-N 348.446 4.059 0 40 EIAB c1cc(NCc2cnc(-c3cccs3)s2)cc(-c2nc[nH]n2)c1 95437432 KNLJCNDPPNFGFC-UHFFFAOYSA-N 339.449 4.269 0 40 EIAB COc1ccc2c(c1)CCN2C(=O)c1cnc(-c2ccsc2)s1 95958521 QKOVKCJSAFQBSH-UHFFFAOYSA-N 342.445 4.083 0 40 EIAB Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)o1 96051104 XDAUHDIWFJJLQC-IBGZPJMESA-N 346.421 4.326 0 40 EIAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccccc1Cl 96104068 DRVSDMONEHAYHQ-UHFFFAOYSA-N 343.858 4.459 0 40 EIAB CCN1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)O)c2C1 97993209 OPWPMIRAYATWNQ-VBKFSLOCSA-N 344.414 4.309 0 40 EIAB CCCCC(=O)/N=c1/sc2cc(Br)ccc2n1CC 100878810 LNFYLJWTFOTNHF-JQIJEIRASA-N 341.274 4.103 0 40 EIAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Nc1ccc3c(c1)COC3)C2 102015999 SPCLUBROZBQLEJ-ROUUACIJSA-N 344.455 4.059 0 40 EIAB COc1ccccc1[C@H]1OC2=Nc3cc(Cl)ccc3NC2=C1O 104240105 FZFMLMOMTLXHQR-MRXNPFEDSA-N 328.755 4.345 0 40 EIAB CCOc1cc(C=O)ccc1OCCCCN1[C@H](C)CCC[C@H]1C 217799061 LDHAEMDAXYRTIE-IAGOWNOFSA-N 333.472 4.320 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 219603982 VXBPIZXGSWWCRV-SFHVURJKSA-N 349.833 4.386 0 40 EIAB CC1(C)C[C@@H](NC(=O)COc2cccc(Cl)c2)c2ccccc2O1 222769395 IZRHBFRKUOIEMK-MRXNPFEDSA-N 345.826 4.137 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 224894480 KXDISCFSDFCCAV-UHFFFAOYSA-N 339.313 4.083 0 40 EIAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224911021 RNGFHFVLEQUVIX-UHFFFAOYSA-N 348.226 4.348 0 40 EIAB Cc1ccc(NC(=S)NC2CCCCCC2)cc1N1CCCC1=O 225354175 AVUAISAAUJURNB-UHFFFAOYSA-N 345.512 4.131 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2ccc(N)cc2Cl)cc1Cl 227157321 FIDARZALPORHHK-UHFFFAOYSA-N 345.613 4.490 0 40 EIAB Cc1cccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)n1 257209080 BOWBHQIKLXEEHV-IBGZPJMESA-N 345.450 4.261 0 40 EIAB Cc1cccc(CN2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)n1 257209081 BOWBHQIKLXEEHV-LJQANCHMSA-N 345.450 4.261 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C 408553235 PGYSHSIAJFNGQP-UHFFFAOYSA-N 333.453 4.318 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F 575610486 NUPZFXIOQBMUBB-SFHVURJKSA-N 341.407 4.018 0 40 EIAB CCc1cn(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)cn1 1559465918 GHNNMPWOAOXYJK-UHFFFAOYSA-N 339.292 4.307 0 40 EIAB Cc1ccc(-c2noc(-c3ccc(Nc4cccnc4)cc3)n2)cn1 1615610485 IYLIEBOHWYFWTB-UHFFFAOYSA-N 329.363 4.246 0 40 EIAB C[C@@]12C[C@@H](NC(=O)N1Cc1ccccc1)c1cc(Cl)ccc1O2 427441 RLTCGGPMJODAEL-CRAIPNDOSA-N 328.799 4.105 0 40 EIAB S=C(S)N(c1ccccc1)N(C(=S)S)c1ccccc1 1669767 MKYDNZADXHTJGI-UHFFFAOYSA-N 336.532 4.344 0 40 EIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc4ccccc4n3cc21 2439286 NRNSVJUGXOSMTR-ZDUSSCGKSA-N 347.805 4.449 0 40 EIAB CC(C)(C)c1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 2658997 QJZUPRFPCRSFOL-UHFFFAOYSA-N 336.391 4.296 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1 3214028 UIEIEUXBGKOFBU-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB S=C(NCc1ccccc1)NN(c1ccccc1)c1ccccc1 3377716 FDBVRLPKXDJZDR-UHFFFAOYSA-N 333.460 4.404 0 40 EIAB O=C(Cc1ccc(Br)cc1)Nc1ccc2c(c1)CCC2 3517533 QEVXUSBVZOMHBT-UHFFFAOYSA-N 330.225 4.119 0 40 EIAB Cc1ccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)cc1Cl 4033564 NPVQDBXWGWWOHD-LBPRGKRZSA-N 325.799 4.045 0 40 EIAB Cc1cc(C)cc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)c1 4313383 YNOXOSJCMIMDOU-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB Cc1cccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)c1 4590386 JXFBZOWLAKRBPP-GDNBJRDFSA-N 331.293 4.358 0 40 EIAB Cc1ccc(-c2csc3ncnc(N4C[C@@H](C)O[C@H](C)C4)c23)cc1 5176187 WCEVVRBRGKLOTP-ZIAGYGMSSA-N 339.464 4.280 0 40 EIAB CC(C)c1ccccc1NC(=O)CSCC(=O)Nc1ccccc1 5236365 PFROQHJMQMTYNV-UHFFFAOYSA-N 342.464 4.120 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 5540997 UBBRWYJKIBNMBP-LBPRGKRZSA-N 349.814 4.072 0 40 EIAB COc1cc(C)c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC 6258994 PTCQPMZGBHOYEC-NSHDSACASA-N 345.464 4.451 0 40 EIAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCCCC1 6638987 GSPQONSOLDPYMH-UHFFFAOYSA-N 336.863 4.016 0 40 EIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1Cl 7750045 QWSKDLLVOQJEHH-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB CCOc1ccc(OCC)c(NC(=O)C2(c3ccccc3)CC2)c1 7988696 MPOPDTVZHZMVGG-UHFFFAOYSA-N 325.408 4.154 0 40 EIAB CCOc1ccc2oc(C(=O)NCCc3ccccc3F)c(C)c2c1 7989105 AJTNQRHBVKQZFD-UHFFFAOYSA-N 341.382 4.252 0 40 EIAB CCc1ccc(CCC(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 8356497 NJEVSJCCFKNDMA-OAHLLOKOSA-N 341.451 4.076 0 40 EIAB CCn1c(C)cc(C(=O)CSc2nnc(C(C)C)n2C2CC2)c1C 8988329 FSCIYVLOGCCXBW-UHFFFAOYSA-N 346.500 4.150 0 40 EIAB Fc1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 8990874 UBEAJADGVPQDRB-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB CCOC(=O)c1oc2cc(NC(=O)c3ccc(F)cc3)ccc2c1C 9659894 SYJSJKHRHNQXHP-UHFFFAOYSA-N 341.338 4.309 0 40 EIAB biogenic Cc1csc(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)n1 9690636 PQWXWBUKHQDFNU-OCCSQVGLSA-N 334.510 4.070 0 40 EIAB O=C(CSc1nnc2n1CCCCC2)c1ccc2ccccc2c1 10024054 OUGODACQVHTOFI-UHFFFAOYSA-N 337.448 4.133 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(OC2CCCC2)cc1 12537380 PHURLOALCJLJIJ-UHFFFAOYSA-N 338.432 4.370 0 40 EIAB CCCCCNC(=O)CN1CCc2sccc2[C@H]1c1cccs1 14247962 KCCXRWCTAXIWKJ-SFHVURJKSA-N 348.537 4.064 0 40 EIAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 15008620 DTBYZCAHSHMCCC-OQLLNIDSSA-N 345.807 4.282 0 40 EIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2ccccc2n1 16722082 YHUYIWZAFHQCBQ-UHFFFAOYSA-N 338.436 4.386 0 40 EIAB COc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1OC 20610301 FQHASHOKOFFTDM-UHFFFAOYSA-N 348.358 4.099 0 40 EIAB biogenic CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 24696746 LRMCSQKISKIRDQ-UHFFFAOYSA-N 344.842 4.051 0 40 EIAB COc1ccc(CN(C(=O)c2cc(C)cc(C)c2)C2CC2)c(OC)c1 25292006 YWDHRQMHPOASST-UHFFFAOYSA-N 339.435 4.125 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1[nH]c(C)c(C(C)=O)c1C 26855425 NCQMSMCZNNNPHB-UHFFFAOYSA-N 338.860 4.211 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)cc1OC 30850202 FAJIGBYDTPRWND-SFHVURJKSA-N 343.423 4.117 0 40 EIAB CN(C)c1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1 38586907 RTCGXHFWIFZPRP-UHFFFAOYSA-N 328.481 4.056 0 40 EIAB COc1ccc(-c2nc(CN(C)c3ccccc3)cs2)c(OC)c1 39985791 NIZVYRDKXSPCMB-UHFFFAOYSA-N 340.448 4.464 0 40 EIAB CC(C)c1ccccc1NC(=O)c1ccc(Br)c(N)c1 40296937 JQZBXRXPFISCRB-UHFFFAOYSA-N 333.229 4.407 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 42521518 KAHYRTMFDXJFGJ-QGZVFWFLSA-N 346.430 4.387 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 44883424 XFTCENUINHLHHY-OXJNMPFZSA-N 341.451 4.366 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1SC 44945661 BEEDMTPCXAMCOY-INIZCTEOSA-N 331.437 4.213 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCc1cccs1 48255601 VNNNYKLAFMFKND-UHFFFAOYSA-N 345.468 4.015 0 40 EIAB CCCCCOc1ccc([C@@H](C)NC(=O)c2cc(C)no2)cc1OC 48518022 MRMKLQXWABNQOS-CQSZACIVSA-N 346.427 4.052 0 40 EIAB CCc1cccc(C)c1NC(=O)NC[C@H]1CCN(C)c2ccccc21 56531395 MJPHGUSJIIVVNL-QGZVFWFLSA-N 337.467 4.303 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c2[nH]ncc12 69046472 CDECAKKJKJNOBU-ZYHUDNBSSA-N 325.334 4.179 0 40 EIAB Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 69584686 FEHCSPYLOGBXMZ-NSHDSACASA-N 332.787 4.145 0 40 EIAB CCCCNc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72213638 CZASDWPOEWVIJX-UHFFFAOYSA-N 349.475 4.171 0 40 EIAB CCc1cc(N)cc2nc(-c3ccc(OC)c(Br)c3)oc12 73642654 HJZWGWFQSGQNIE-UHFFFAOYSA-N 347.212 4.411 0 40 EIAB CC[C@H](C)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1 75093086 HZBQOZSTHLQAHE-ZDUSSCGKSA-N 334.460 4.381 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccccc1Cl 78890580 ZEDIJIINKPYJJO-IOHHAYIISA-N 347.890 4.119 0 40 EIAB C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1nc(C(C)(C)C)no1 80560127 HSMJCRPKQIVUPJ-NWDGAFQWSA-N 348.472 4.036 0 40 EIAB O=C(C1=NO[C@H](c2ccccc2)C1)N(C1CC1)[C@@H]1CCc2ccccc21 95377481 VVMZJCHWWNYQGQ-RTWAWAEBSA-N 346.430 4.183 0 40 EIAB CC(C)(C)c1ncc(CNc2ccccc2SCCC(N)=O)s1 95429042 MVDQSJBXOIJVMZ-UHFFFAOYSA-N 349.525 4.020 0 40 EIAB COc1ccc(C2(c3cc(-c4sc(N)nc4C)ccn3)CC2)cc1 95629726 YSCIVUYELXXNSH-UHFFFAOYSA-N 337.448 4.184 0 40 EIAB OC1(c2cccc(Cl)c2)CCC(NCCc2ccccc2)CC1 96009132 CJHIKLSIKBRSEE-UHFFFAOYSA-N 329.871 4.303 0 40 EIAB COc1ccc(-c2nc(C)c([C@H](C)NCc3ncc(C)o3)s2)cc1 96014107 OIQXPVWNNQDJEX-LBPRGKRZSA-N 343.452 4.274 0 40 EIAB CO[C@@H](C)c1nc(C)c(C(=O)N(Cc2ccsc2)C2CC2)s1 96454238 UILGXJLHALTJAF-NSHDSACASA-N 336.482 4.025 0 40 EIAB CCNc1ccc(Br)cc1NC(=O)[C@H](C)c1cccnc1 97048606 BWJAVKSQEARXRU-LLVKDONJSA-N 348.244 4.018 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 102318623 PYUUMDIVRVIEDZ-CYDGBPFRSA-N 339.888 4.305 0 40 EIAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2cccs2)CCC1 102583709 DLFRUCPDGMYGDI-LLVKDONJSA-N 340.330 4.030 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C2 107342105 DKOCNQRUUXRRBA-ZQIUZPCESA-N 347.421 4.019 0 40 EIAB CCCC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc12 107799846 DRJCYWUBIFGEQC-IYBDPMFKSA-N 340.467 4.414 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCSC1CCCCC1 216241712 ROANHGUYUQNXJW-OAHLLOKOSA-N 335.513 4.198 0 40 EIAB O=C(CCSCc1ccccc1)NCCCc1ccc(F)cc1 218994624 QSLRZFILWGDNAZ-UHFFFAOYSA-N 331.456 4.198 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 219067353 NIXMWGDGBKCJSK-SFHVURJKSA-N 325.452 4.128 0 40 EIAB Cc1nnc(S[C@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)c2ccccc12 221942818 WSRUDUWCAAXFNN-SIXWZSSISA-N 326.465 4.424 0 40 EIAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224160777 KSFYJJIJBPRYKS-UHFFFAOYSA-N 347.842 4.410 0 40 EIAB CCN(c1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1 225052929 SQVZUSFRPRBKHK-UHFFFAOYSA-N 329.396 4.194 0 40 EIAB Cc1cc(C)cc(O[C@H](Cc2cccc(Br)c2)C(=O)O)c1 225063377 HCZJYQHHJKJJLY-MRXNPFEDSA-N 349.224 4.141 0 40 EIAB Cc1cccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225084882 BDRQARMJSOASJA-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB COc1ccccc1C1(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)CC1 245070478 QLKSJUPGPZATJA-HNNXBMFYSA-N 349.430 4.220 0 40 EIAB CC(C)C[C@H](NC[C@@H](O)C(F)(F)F)c1cccc(C(F)(F)F)c1 545894530 CVFYDQSHNBKZLA-QWHCGFSZSA-N 343.311 4.305 0 40 EIAB O=C(COc1ccccc1)c1ccc(Br)cc1Cl 575242926 CONZNHWSPJDKNA-UHFFFAOYSA-N 325.589 4.364 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)COc1cnc(Cl)c(F)c1 585093659 YIQCVSFGCUGZEX-UHFFFAOYSA-N 336.794 4.323 0 40 EIAB COCc1cc(Cl)ccc1NC(=O)N1CCCC(F)(F)CC1 626593206 NNPDDQUCQXHWGH-UHFFFAOYSA-N 332.778 4.140 0 40 EIAB CN1CCCCCCCN[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643574319 PGNQSRSZDVVPSG-QUCCMNQESA-N 344.499 4.002 0 40 EIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 39245 HLLZGNVMKWJAHG-LJQANCHMSA-N 347.418 4.197 0 40 EIAB O=c1ccn(Cc2ccc(Cl)cc2)c2ccnc(C(F)(F)F)c12 55444 GIPZYVKETDLMSD-UHFFFAOYSA-N 338.716 4.117 0 40 EIAB CCCn1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 490980 GQLNCJJBSSFSBK-SFHVURJKSA-N 346.430 4.407 0 40 EIAB biogenic O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCC1=CCCCC1 506206 VYZXVDMUEFMXBW-UHFFFAOYSA-N 327.815 4.422 0 40 EIAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1 1007732 QKOJWMGLUPRVCF-DHDCSXOGSA-N 331.343 4.201 0 40 EIAB Clc1ccc(CSc2nnc([C@H]3CCCN3)o2)cc1Cl 1298648 FOZKVQYIRKDVEM-LLVKDONJSA-N 330.240 4.093 0 40 EIAB NC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 1400638 ZUFCVIFIFYOWBE-UHFFFAOYSA-N 328.340 4.143 0 40 EIAB COc1cccc(CCC(=O)c2ccc(Br)cc2F)c1 2516525 REYIZROGRBXLAQ-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB CC(C)Oc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 2753127 MXLBLLXNHOACHX-GZTJUZNOSA-N 341.794 4.472 0 40 EIAB Cc1cc(NC(=O)c2ccc(COc3c(C)cccc3C)o2)no1 2786943 WXJICZKHMPZWSL-UHFFFAOYSA-N 326.352 4.024 0 40 EIAB Cc1sc2ncn3nc(COc4ccccc4Cl)nc3c2c1C 2790247 KCZYOJCGCNAUGC-UHFFFAOYSA-N 344.827 4.188 0 40 EIAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(F)cc1 3363102 LAWUKYCDZXNEST-UHFFFAOYSA-N 344.357 4.203 0 40 EIAB CCOc1ccccc1OCC(=O)Nc1nc2c(C)cccc2s1 3558966 CHHOUJRZRMSDCJ-UHFFFAOYSA-N 342.420 4.021 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2cccnc2)n1 4090360 UHATYROPBXOPFO-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB Br/C(=C\c1ccccc1)[C@H]1NN=C(c2ccccc2)S1 5584477 GPMUGJRXQWKXOX-QBOMHBFWSA-N 345.265 4.447 0 40 EIAB C[C@H]1C[C@@H]1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5693431 NODMWGQCDYQKDU-BBRMVZONSA-N 333.387 4.217 0 40 EIAB Cc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 6275971 PRHZXGGRNOMSGR-UHFFFAOYSA-N 344.418 4.011 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCSc3ccccc32)s1 7989197 JLAKQNRECRVVIP-CQSZACIVSA-N 345.489 4.373 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)n2nc(-c3ccncc3)oc2=S)cc1 8550016 WLWILLBHYWBMRA-GFCCVEGCSA-N 325.393 4.020 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1 8757287 NSKSPVQWWCUXAU-MRXNPFEDSA-N 349.430 4.220 0 40 EIAB O=C(Cc1c(Cl)cccc1Cl)OCc1nc2ccccc2[nH]1 9338267 ZYNDUCANXMJMQT-UHFFFAOYSA-N 335.190 4.156 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)OCc2ccccc2Cl)cc1 9592052 ORUPVFWUOUIBFX-UHFFFAOYSA-N 331.799 4.111 0 40 EIAB CCc1nnc(NC(=O)c2sccc2-c2ccc(C)cc2)s1 9642971 POHISKDSNSYCBO-UHFFFAOYSA-N 329.450 4.390 0 40 EIAB COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)ccc1C 11075316 FJTVSTAOGNFOIV-UHFFFAOYSA-N 346.430 4.414 0 40 EIAB CSc1ncccc1C(=O)O[C@H](C)C(=O)c1cc(C)c(C)cc1C 11464194 JMJOVTZZLACMQU-CQSZACIVSA-N 343.448 4.157 0 40 EIAB CC(C)CC(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233021 HAPGLDTYUNYLBJ-UHFFFAOYSA-N 327.409 4.450 0 40 EIAB O=C(NCc1cccs1)c1cc(-c2cccnc2)nc2ccccc12 12554282 PMCCBMUYNQKVKU-UHFFFAOYSA-N 345.427 4.288 0 40 EIAB COc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 12915791 RBQWPEDTEYPLIL-UHFFFAOYSA-N 325.339 4.024 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1)O[C@@H](C)C2 12975610 RUSCSBGRQSRWBP-NSHDSACASA-N 331.799 4.314 0 40 EIAB Cc1cccc(NC(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)c1C 14021428 BMBSYRKRBFWPBY-UHFFFAOYSA-N 340.511 4.390 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccccc1 14182296 SSSMOWIQSNNNDT-JOCHJYFZSA-N 344.458 4.386 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 16101212 SLQRUPYDVOXGDH-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccccc2Cl)no1 16381925 AAJNZQBYBSFGEM-LBPRGKRZSA-N 325.799 4.341 0 40 EIAB CC(C)c1cccc(NC(=S)Nc2ccc3c(c2)OCCO3)c1 17450877 AUBWHTCXEXDVKU-UHFFFAOYSA-N 328.437 4.390 0 40 EIAB OC(CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 20219092 BNIUACPRBCXENG-UHFFFAOYSA-N 337.850 4.366 0 40 EIAB Cc1ccccc1CSCC(=O)NCc1ccc(OC(C)C)cc1 20450698 JAHYIWZYVQKZLD-UHFFFAOYSA-N 343.492 4.332 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 20493437 MVLLYXZMPQRZKH-HXUWFJFHSA-N 341.451 4.176 0 40 EIAB Cc1ccnc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1 29756805 AQZTVJFOOMXZSC-UHFFFAOYSA-N 332.407 4.014 0 40 EIAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 30757097 ZATRSWKHMVIGPH-OAHLLOKOSA-N 329.465 4.271 0 40 EIAB CN(Cc1ccsc1)C(=O)COc1ccccc1-c1ccccc1 32741266 BNJWGLZIKAJLPH-UHFFFAOYSA-N 337.444 4.453 0 40 EIAB CC(C)CCC[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1nccn1C 32809233 PYMUASBZNSYIDF-SJLPKXTDSA-N 342.487 4.024 0 40 EIAB CN(C(=O)COc1ccc2ccccc2c1)[C@@H]1CCc2ccccc21 32905620 UIYQUPAWHZWUHU-OAQYLSRUSA-N 331.415 4.365 0 40 EIAB CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 34797422 RRHKBUYXWWDYGZ-NIKGAXFTSA-N 331.456 4.305 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1C[C@@H](C)CC2 35671485 ULQPHJHAQNADQG-NSHDSACASA-N 337.379 4.015 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 36366449 BYBBRQREVWLDMF-AWEZNQCLSA-N 337.354 4.144 0 40 EIAB Cc1n[nH]c2c1[C@@H](c1ccc(OC3CCCC3)cc1)SCC(O)=N2 44903661 AXQICOJYDJHKDB-QGZVFWFLSA-N 343.452 4.464 0 40 EIAB O=C(/C=C(/c1ccccc1)C(F)(F)F)NCCc1cccc(F)c1 58305167 ZUGILZPHESNHEM-VBKFSLOCSA-N 337.316 4.130 0 40 EIAB O=C(Cc1csc(-c2cccnc2)n1)N[C@H](c1ccccc1)C1CC1 58366474 BNICDQLCDAHISF-LJQANCHMSA-N 349.459 4.015 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1 61718385 XEZDKFFSBMSBEN-UHFFFAOYSA-N 347.418 4.451 0 40 EIAB O=C(/C=C/c1ccccn1)N(Cc1ccccn1)c1ccc(Cl)cc1 65539015 HOMPEIFTROWQDP-FMIVXFBMSA-N 349.821 4.377 0 40 EIAB CCc1ccc(CNC(=O)c2cc(-c3cc(C)ccc3C)n[nH]2)cc1 71328483 PGICRTWQWWIMFV-UHFFFAOYSA-N 333.435 4.186 0 40 EIAB Cc1ccccc1-c1nnc(C2(c3cccc(F)c3)CCOCC2)o1 71889737 PNQNSEKFQJBZAT-UHFFFAOYSA-N 338.382 4.281 0 40 EIAB CN(C(=O)Nc1cc(C[S@](C)=O)ccc1Cl)C1CCCCC1 71910309 LGDIYKRZLCSWRM-JOCHJYFZSA-N 342.892 4.015 0 40 EIAB COC(=O)Nc1ccc(O[C@H](C)c2nnc(-c3cccs3)o2)cc1 72311201 HLVACZJHOCDJPI-SNVBAGLBSA-N 345.380 4.116 0 40 EIAB Cc1cnc2[nH]c(C3CC3)c(CN(C)CC[C@H](O)c3ccccc3)c2c1 72395250 WTDCBGOJLFAUBQ-FQEVSTJZSA-N 349.478 4.304 0 40 EIAB CC(=O)c1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 75142852 NDDHXYSZFKBTKP-UHFFFAOYSA-N 331.441 4.019 0 40 EIAB COc1ccc(-n2c(C)nnc2SCc2cccc(F)c2)cc1 75333958 ISTLKMSIANANAU-UHFFFAOYSA-N 329.400 4.016 0 40 EIAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N(C1CCCC1)C1CC1 80025453 RYTDRINFXLPSIM-UHFFFAOYSA-N 337.423 4.161 0 40 EIAB O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1COc2ccccc21 84579167 HFKZNWUHVOKELU-GOSISDBHSA-N 338.407 4.263 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1OC 84734807 RHTOWYPPEAWLRK-MRXNPFEDSA-N 331.391 4.234 0 40 EIAB O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1F)CN2Cc1ccccc1 95951710 IRZZQHFNRRRFMO-RYFAJOAYSA-N 339.454 4.345 0 40 EIAB Cc1ccccc1C(=O)Nc1ccccc1Cc1nc(C2CC2)no1 96119583 WNXUIDUWENXVBK-UHFFFAOYSA-N 333.391 4.099 0 40 EIAB CCCN1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96155763 MJOAXDCESFNFCC-UHFFFAOYSA-N 338.430 4.125 0 40 EIAB COc1ccc2[nH]cc(C(=O)c3ccc(OC(F)(F)F)cc3)c2c1 199721204 SEMXPJURWMPVCN-UHFFFAOYSA-N 335.281 4.306 0 40 EIAB COc1ccc(Br)cc1-c1nc2cc(N)cc(C)c2o1 216731380 FYGDGZGGPDWOEB-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 219543660 LTTRVPXCGWTHGO-GOSISDBHSA-N 325.452 4.128 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1Cl 224131392 RJGFSVWHWGILAV-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCC 224705111 NYDAGOHPYQPABW-UHFFFAOYSA-N 331.387 4.403 0 40 EIAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Sc1ccccc1 225066831 CVXOTAZQDMUMJM-CQSZACIVSA-N 337.238 4.237 0 40 EIAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCO2 225347222 UZOHUDLGCWPXAV-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB Cc1ccc(SCCCNC(=S)Nc2ccc(C)cn2)cc1 225589055 JYPHOWKLPMLKOG-UHFFFAOYSA-N 331.510 4.167 0 40 EIAB O=C(/C=C/c1cccs1)NCc1ccnc(-c2cccs2)c1 225650146 YRCQJWHJNHKQNQ-AATRIKPKSA-N 326.446 4.201 0 40 EIAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)nc1 225680256 JJAKGIKTWVARHR-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB Cc1cc(SC2CCCCC2)ccc1NC(=O)Cc1cnccn1 252509520 YOYQIHPDPPMRDK-UHFFFAOYSA-N 341.480 4.391 0 40 EIAB O=C(CCc1ccccc1)NCCSCc1ccc(Cl)cc1 409174946 WGYAVKUUNGAZNV-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB O=C(COc1ccccc1F)NCc1nc(C2CCCCC2)cs1 575605140 MYMMKUOVEKNFDN-UHFFFAOYSA-N 348.443 4.025 0 40 EIAB Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 585101650 FQWVSTLKXXFMFL-UHFFFAOYSA-N 347.422 4.079 0 40 EIAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 618255569 FRIJATWTMVJWSO-GOSISDBHSA-N 336.391 4.110 0 40 EIAB COc1ccccc1-c1ccc(CN[C@H]2CCCn3nccc32)cc1 631301759 SKYJLMKJFLCBAP-IBGZPJMESA-N 333.435 4.183 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)C1 460332 MHXKZCNHVYKVPQ-OOBDGNPPSA-N 331.500 4.199 0 40 EIAB O=C(Cn1c(Cl)nc2ccccc21)c1ccc(Br)cc1 494595 JQPOTJSUEANJNN-UHFFFAOYSA-N 349.615 4.335 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1ccccc1F 507303 OPFOISRQECIOAS-LJQANCHMSA-N 344.345 4.145 0 40 EIAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3ncnc(N)c23)cc1 1016765 GNOZTUOADYKOFQ-UHFFFAOYSA-N 330.366 4.389 0 40 EIAB COC(=O)/C(=C1\Oc2ccc(C(C)(C)C)cc2S1)C(F)(F)F 2372844 LZCMVWMVDAPPAT-QBFSEMIESA-N 332.343 4.416 0 40 EIAB Cc1nc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2s1 3215075 QHGUSCIWZBAAPB-UHFFFAOYSA-N 340.301 4.413 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2cccc3ccccc23)cc1F 3438330 CPYAETNILLZOLZ-UHFFFAOYSA-N 337.350 4.083 0 40 EIAB O=C(Cc1ccccc1F)Nc1nc(-c2ccc(F)cc2)cs1 3483558 MWJMKXSLVREXLU-UHFFFAOYSA-N 330.359 4.270 0 40 EIAB Cc1sc(NC(=O)c2cc(Cl)sc2Cl)c(C(N)=O)c1C 4570396 AMKXLICEIABVQY-UHFFFAOYSA-N 349.264 4.084 0 40 EIAB COc1cc2cc(C)c(SCCN3CCCCC3)nc2cc1OC 4858650 JXENVJZYBKFRGP-UHFFFAOYSA-N 346.496 4.138 0 40 EIAB S=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4886624 YUJLCEAQWFDVFW-ZXFUBFMLSA-N 349.931 4.174 0 40 EIAB Cc1ccc(SCCNC(=O)COc2ccc(Cl)c(C)c2)cc1 5281635 QARSTYFNQTZSEP-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB Cc1c(C(=O)OCc2nc(-c3ccccc3)no2)oc2ccccc12 5311111 CLJAEBSWZFNFDS-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB COc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1F 5428769 NORWRURZOWYLPY-UHFFFAOYSA-N 342.395 4.061 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1Cl)C3 5516267 RSNNAOFIXFRPRV-UHFFFAOYSA-N 341.794 4.365 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1C 5558507 MJBCCLUJTGXTQY-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB C[C@@H](CNC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 5617083 ZNDOJRUGWVJAON-LBPRGKRZSA-N 338.234 4.292 0 40 EIAB Cc1nc2ccc(NC(=O)COc3c(C)cccc3C)cc2s1 6216035 SHXMQMBMTMAMTK-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB CN(C[C@@H]1O[C@H]2CCCC[C@@H]2c2sccc21)C(=O)c1ccco1 6668065 WQYRCQUADIFDJU-NOLJZWGESA-N 331.437 4.211 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 6810449 MEMUVXDNPGDJFD-UHFFFAOYSA-N 342.251 4.456 0 40 EIAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c1 7468447 BCOCERBVAXKZMJ-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2F)ccc1Cl 7671804 OFYGTHKBEUEKSM-LLVKDONJSA-N 339.769 4.183 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 8127134 SQLVZRGBUYALHW-MRXNPFEDSA-N 348.446 4.307 0 40 EIAB Cc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1 8706343 WOYNNWBKBINMTG-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB CCCOc1ccccc1O[C@H](C)C(=O)Nc1c(C)cccc1C 8746163 PQQQAPBJIOOFGT-MRXNPFEDSA-N 327.424 4.498 0 40 EIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 9164756 LFBGVLJLDZEQIK-UHFFFAOYSA-N 342.464 4.326 0 40 EIAB O=C(NCCC1=CCCCC1)c1cn[nH]c1-c1ccc(Cl)cc1 9219890 ZIABNTRXJYTTHZ-UHFFFAOYSA-N 329.831 4.350 0 40 EIAB CC(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1 9512537 IIOGWLKLDYVGFG-UHFFFAOYSA-N 325.383 4.479 0 40 EIAB Cc1cccc(/N=c2\scc(-c3cccs3)n2CCO)c1C 10187292 UEKKHVRCHFXXBN-ZCXUNETKSA-N 330.478 4.120 0 40 EIAB CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10544501 KZVXNALFSIUZLD-KRWDZBQOSA-N 333.435 4.145 0 40 EIAB Cc1cc(C(=O)Nc2ccc(F)cc2C)c2cnn(C(C)C)c2n1 10962488 APDXSVSHXAALKZ-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1 12520347 NTOOPPMVMQMUFO-UHFFFAOYSA-N 339.464 4.423 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1Br)c1cccs1 12759819 AHRZAHLNOQYFHW-MRVPVSSYSA-N 328.206 4.141 0 40 EIAB CCCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 13019203 YONCLMDDOQLEKV-UHFFFAOYSA-N 335.407 4.242 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1OCC 15003971 TWLAOTYVJCWXAB-UHFFFAOYSA-N 335.350 4.405 0 40 EIAB Cc1cc(C)c2c(N)c(-c3nc(Cc4ccccc4)no3)sc2n1 15107066 KIXDDRXULFJTOJ-UHFFFAOYSA-N 336.420 4.136 0 40 EIAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 15796756 FBEYZLISAGQMKT-CJNGLKHVSA-N 340.423 4.149 0 40 EIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 16751652 BVJCOIDZWPPSPM-LJQANCHMSA-N 347.414 4.447 0 40 EIAB CCOc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 19533242 XTLYNUAKFGOPQI-KRWDZBQOSA-N 335.451 4.341 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CCCc2ccccc21 20105589 JHGIYWYFRNNCDE-PMACEKPBSA-N 339.435 4.046 0 40 EIAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1-c1ccccc1 22403329 ORJSACRGAXLDBD-UHFFFAOYSA-N 345.324 4.208 0 40 EIAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc2ncsc2c1 24990109 GKJKSCPMBLFDNE-GHMZBOCLSA-N 328.359 4.147 0 40 EIAB Cn1cc(/C=C/C(=O)Nc2ccc(SC3CCCC3)cc2)cn1 30510440 CBFVGQOQEBQTAP-IZZDOVSWSA-N 327.453 4.107 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1OC 30859182 FQPQWTDYDKPOCU-HNNXBMFYSA-N 333.815 4.453 0 40 EIAB CC1CCC(N(C)C(=O)CN2CCc3sccc3[C@H]2C2CC2)CC1 32836267 BHPWGBXKMDDILF-QJXPYNDKSA-N 346.540 4.094 0 40 EIAB CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 33663105 OFTICNZMXFVMTC-UHFFFAOYSA-N 346.239 4.231 0 40 EIAB CCCNC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC 36646041 GZZOPQYUFIPBEN-UHFFFAOYSA-N 332.425 4.123 0 40 EIAB Clc1ccccc1-c1noc(CSc2nccn2C2CC2)n1 36649103 NQNWGUHVXADMAJ-UHFFFAOYSA-N 332.816 4.214 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)CCC2CCCC2)c(OC)c1 40009663 IMCPBVPYRYVSLI-GOSISDBHSA-N 331.456 4.338 0 40 EIAB CCN(Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 40068687 SEVCQKGEZRBRDB-UHFFFAOYSA-N 336.357 4.437 0 40 EIAB CCOc1ccc2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2c1 41095629 BHAMWQZLWJZCTL-UHFFFAOYSA-N 347.480 4.192 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2c2cccs2)c1 43388676 BGGHQLWBGOXFGU-HNNXBMFYSA-N 344.436 4.212 0 40 EIAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc(F)c2)no1 45851789 FBTDIGUTNMQQND-UHFFFAOYSA-N 343.383 4.062 0 40 EIAB COc1cc(Br)c2oc(-c3ccc(C)c(N)c3)nc2c1 45920192 CXNROVVGIYBPPZ-UHFFFAOYSA-N 333.185 4.157 0 40 EIAB CNc1nc2c(s1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(O)=N2 49546529 ZJJYIVPNFYAKTH-SECBINFHSA-N 327.331 4.327 0 40 EIAB Cc1cnn(CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 55011664 YHMYQAKMCVBJNO-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1c[nH]nc1-c1ccc(F)cc1 58201797 XQBDOMGGLJAKLA-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB CSCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 58725372 CWFFGUBGIKGOQA-UHFFFAOYSA-N 345.489 4.159 0 40 EIAB C[C@@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1 65565729 DSGDDHGACUVQTP-CYBMUJFWSA-N 346.377 4.068 0 40 EIAB Cc1noc([C@H](C)NC(=O)Nc2ccccc2SC2CCCC2)n1 69631494 AENBVWRILAKRNH-NSHDSACASA-N 346.456 4.295 0 40 EIAB COc1cccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c1OC 71285824 FGNZMKTUIZRENH-OAHLLOKOSA-N 347.440 4.073 0 40 EIAB O=Cc1ccc(Oc2ccc(Br)cc2Br)o1 72228393 KUBWNLVAAZXVSO-UHFFFAOYSA-N 345.974 4.409 0 40 EIAB c1ccc2c(c1)OC[C@@H](c1nnc(SCC3CCCCC3)o1)O2 72750999 BJHDYEYLYFEHTL-HNNXBMFYSA-N 332.425 4.255 0 40 EIAB O=C(NCc1ccc(F)cc1)c1ccc(Oc2nccs2)cc1 77890248 XDBIGOJYMQKPND-UHFFFAOYSA-N 328.368 4.005 0 40 EIAB O=C(Nc1cc(-c2ccccc2)ns1)[C@H]1CCOc2ccccc21 77998913 WRCPDXNRVVNWGL-HNNXBMFYSA-N 336.416 4.315 0 40 EIAB O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 83991829 FEJIBIUWVHWYOD-GOSISDBHSA-N 336.391 4.047 0 40 EIAB C[C@H](c1ccccn1)N(C(=O)NCC1(c2ccccc2)CC1)C1CC1 86361375 AFZLRXPKKPJBAL-MRXNPFEDSA-N 335.451 4.048 0 40 EIAB CCC[C@H](NC(=O)N(C)Cc1cccnc1)c1ccc(F)cc1F 89949722 FOXWNXKLQCXVDO-KRWDZBQOSA-N 333.382 4.043 0 40 EIAB CCCCc1oc2ccccc2c1CN1CCC(N(C)C(C)=O)CC1 92538208 VTVVBGOWHDWUDS-UHFFFAOYSA-N 342.483 4.218 0 40 EIAB CC(C)Oc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1F 95422041 FNBUPEJHUUWKNZ-LFPIHBKWSA-N 349.471 4.201 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)NC[C@H](C)c2ccsc2)o1 95944856 IDQAUDYJPYIWOY-XJKSGUPXSA-N 348.468 4.138 0 40 EIAB C[C@@H]1CCC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)[C@@H]1C 97237410 CFYJWEVOTAVRLM-HEKCMURKSA-N 349.540 4.351 0 40 EIAB CCCC[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)OC 97600378 MNSHCAUDSAYQBT-LBPRGKRZSA-N 340.832 4.214 0 40 EIAB c1csc(-c2noc(-c3ccccc3COC3CCOCC3)n2)c1 193144870 PHZCZWHUDOXHAE-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB CCOc1ccc(CNC(=O)CCSCc2ccccc2)cc1 218996681 NMCAFWKXIIGLCO-UHFFFAOYSA-N 329.465 4.025 0 40 EIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222801478 FIJNVFYUXMAGJX-OALUTQOASA-N 349.459 4.334 0 40 EIAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(C)cc1 222965668 NQOOMBHTIBIUSY-SFHVURJKSA-N 347.480 4.050 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC(C)(C)Cc1ccccc1 223211740 ZRAKQLNOSUGBGX-LJQANCHMSA-N 325.452 4.290 0 40 EIAB C[C@H](CNC(=O)CSCc1ccccc1Cl)c1ccccc1 223402993 ODNQPTIBMDNDSE-CQSZACIVSA-N 333.884 4.493 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(Cl)cc1 224154100 WIBWMQGHPKZGJZ-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 224552405 HBMAPCKNGLPYJG-UHFFFAOYSA-N 348.506 4.369 0 40 EIAB CCOc1ccc(-c2cnc(CCC(=O)N3CCCCCC3)o2)cc1 224860686 YPCJGKOISAOQPK-UHFFFAOYSA-N 342.439 4.076 0 40 EIAB Cc1ccc(CCC(=O)N[C@H](C)COc2ccccc2C)cc1C 225700773 FOAODGCFBYDBGZ-GOSISDBHSA-N 325.452 4.128 0 40 EIAB COC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253500781 CEZKLEHYJURHTB-SUGYDSBTSA-N 349.515 4.115 0 40 EIAB CC(C)Cc1ncc(-c2nccnc2[C@H]2CCCN(C(C)C)C2)s1 257299382 RPVPXZLBWLACFG-HNNXBMFYSA-N 344.528 4.386 0 40 EIAB O=C(COCc1ccccc1)c1ccc(OC(F)(F)F)c(F)c1 382712189 HRQWPRNLRUTTAL-UHFFFAOYSA-N 328.261 4.124 0 40 EIAB Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1C 390830131 IXKMJCJZTRVJDK-UHFFFAOYSA-N 341.432 4.042 0 40 EIAB Cc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 409142658 BHSRKYQATFDXEV-INIZCTEOSA-N 345.851 4.455 0 40 EIAB O=C(NCc1ccc(C2CC2)cc1F)c1ccccc1OC(F)F 557334485 PPHWSRHASFIIMA-UHFFFAOYSA-N 335.325 4.235 0 40 EIAB CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(Cl)c1F 574555018 PFYTWCSTJLYWGP-UHFFFAOYSA-N 335.806 4.325 0 40 EIAB O=C(NCc1cncc(-c2ccco2)c1)Nc1cccc2cccnc12 575618908 RDAQYGYMKKCMDT-UHFFFAOYSA-N 344.374 4.212 0 40 EIAB CCc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 248239 BGIJKXNPYKVRMD-IBGZPJMESA-N 344.499 4.299 0 40 EIAB Cc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cc(Cl)cc23)cc1 340593 JBTIECWFMOJKAQ-UHFFFAOYSA-N 344.205 4.426 0 40 EIAB Cc1cc(OC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 383752 BOSWYCKBSHWGSQ-UHFFFAOYSA-N 331.371 4.467 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 415482 DANPWCNHEBYJGU-UHFFFAOYSA-N 342.395 4.468 0 40 EIAB Cc1ccc2cc3c(N)c(C(=O)N4CCCC[C@@H]4C)sc3nc2c1 422319 JRYCGWHCMKEXPE-LBPRGKRZSA-N 339.464 4.355 0 40 EIAB COC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1C 564085 UZZRQMBFGYMOFR-ZHACJKMWSA-N 329.783 4.087 0 40 EIAB CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 2303651 TXVYCRLGFVRYIS-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)o1 2619664 TXNBXKPWZVDZNN-UHFFFAOYSA-N 344.392 4.223 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1 2652247 DMVKCZIBAREAPM-CQSZACIVSA-N 349.434 4.469 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3237491 NNQPAEUIORKJOW-JUVOFCAFSA-N 337.504 4.172 0 40 EIAB O[C@H](CN[C@@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 3401916 IFKJZRBFDUBHHF-NFBKMPQASA-N 347.458 4.247 0 40 EIAB Cc1ccccc1CSCC(=O)N[C@@H]1CCCc2ccccc21 3601181 HKVUWOXABINATD-LJQANCHMSA-N 325.477 4.422 0 40 EIAB CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1cc(Cl)ccc1C 4042540 WAOXLRDKINNHQB-GOSISDBHSA-N 341.846 4.361 0 40 EIAB Cc1ccc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1 4477441 YMGUSEKEEOELRT-JOCHJYFZSA-N 344.414 4.115 0 40 EIAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 4673108 CQHBVXCLFAUKIV-DHDCSXOGSA-N 344.823 4.058 0 40 EIAB CC[C@@H]1c2cc(OC)c(O)cc2[C@H](c2ccc(O)c(OC)c2)[C@@H]1C 4683190 QSYFPBASFNGQSF-RZZGRXHGSA-N 328.408 4.390 0 40 EIAB Cc1ccccc1C1=N/C(=C\c2ccccc2Br)C(=O)O1 4714046 MPMGNWRMMBQNNP-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccncc2)N3)C1 4913755 ISIBJCIQXCPWSD-MLGOLLRUSA-N 341.480 4.148 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)c1 5080132 AJXPTYGISDOSAG-LJQANCHMSA-N 349.386 4.433 0 40 EIAB Clc1ccc(-c2nnc3sc(-c4ccccn4)nn23)c(Cl)c1 5477641 ABTWEJRNWMWPTI-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCC2 6304887 SQDSQQXESKKFGL-UHFFFAOYSA-N 336.844 4.081 0 40 EIAB Cc1nn(-c2ccccc2)c(-c2ccc(O)cc2O)c1-c1ccccn1 6784757 DZZLYQJVRKUILC-UHFFFAOYSA-N 343.386 4.321 0 40 EIAB O=C(CCc1ccco1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6879677 HHZYPHOXCHNUPK-UHFFFAOYSA-N 338.432 4.463 0 40 EIAB c1ccc(-c2cc(CSc3ccc4c(c3)OCCO4)no2)cc1 7695879 ZQJPJFBTBPJWBN-UHFFFAOYSA-N 325.389 4.405 0 40 EIAB Cc1csc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 7834669 ZDYPUMMPKMDCPP-ZDUSSCGKSA-N 346.521 4.300 0 40 EIAB Cc1cc2oc(=O)cc(CSc3cccc[n+]3[O-])c2cc1C(C)C 7837877 BLZZXIOXDGQDDB-UHFFFAOYSA-N 341.432 4.151 0 40 EIAB O=C1/C(=C/c2cccc3ccccc23)NC(=S)N1c1ccccc1 8321849 VKSZFKLTQVWHBZ-AQTBWJFISA-N 330.412 4.102 0 40 EIAB COc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3)s2)cc1 8754451 VHDYURCTNOXGBZ-UHFFFAOYSA-N 330.453 4.190 0 40 EIAB O=C(c1cccc(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8986887 QTWWRHLZMIYPNJ-UHFFFAOYSA-N 341.382 4.139 0 40 EIAB O=c1nc2ccc(Cl)cc2c(-c2ccccc2Br)[nH]1 10152064 WENFJNHDBCDJCC-UHFFFAOYSA-N 335.588 4.006 0 40 EIAB CCCCc1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 11432317 OWIFTUFDOFNUTF-UHFFFAOYSA-N 338.436 4.195 0 40 EIAB CCC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1 11436181 WCAJVZHAFVRNNQ-UHFFFAOYSA-N 331.441 4.143 0 40 EIAB Cc1ccccc1-c1noc(CSc2ncnc3ccsc23)n1 12698705 CXYMQWGNMALDCU-UHFFFAOYSA-N 340.433 4.342 0 40 EIAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 12748186 GVRNNQJJBBETOY-UHFFFAOYSA-N 341.798 4.427 0 40 EIAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1ccccc1 12758069 BRXYPZHOVMGVPL-OAQYLSRUSA-N 345.446 4.169 0 40 EIAB CC(C)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 12925690 HVEIZFWVHSSAGB-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 13937322 ULXRDCOBTAOBPI-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB Clc1ccc(-c2cc(CSc3nncn3C3CC3)on2)cc1 14159817 SPYMGMHLRSCMAV-UHFFFAOYSA-N 332.816 4.214 0 40 EIAB Cc1nc2ccccc2nc1COc1ccc2ccccc2c1C=O 16265426 QHIBENQNQSJZEP-UHFFFAOYSA-N 328.371 4.483 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)cc1 18172525 GQIIDDJFHZYRBH-UHFFFAOYSA-N 325.412 4.330 0 40 EIAB Oc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19323950 NYHYIUDGOIGOCH-UHFFFAOYSA-N 344.458 4.409 0 40 EIAB Cc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)n1 19324694 UBBMXSNWHQMZOW-UHFFFAOYSA-N 343.474 4.407 0 40 EIAB O=C(COC(c1ccccc1)c1ccccc1)NCc1ccccc1 21003622 KHAPZEIITKFNEG-UHFFFAOYSA-N 331.415 4.109 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576380 LWKLCBCRWNMAFB-UHFFFAOYSA-N 342.414 4.142 0 40 EIAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1F 23878114 UYJWALUIGVFDQP-VIFPVBQESA-N 327.277 4.057 0 40 EIAB C[C@@H](SCc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 24958280 ZPYMMWUGRMAQQT-CYBMUJFWSA-N 337.452 4.192 0 40 EIAB O=C(c1ccc(C2SCCS2)cc1)N1CCOc2ccccc21 30577508 BDPIUUNXWHXIRF-UHFFFAOYSA-N 343.473 4.204 0 40 EIAB COc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC 30824067 GIZGLIZZDWNOKJ-UHFFFAOYSA-N 346.770 4.083 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cc(Br)ccn2)cc1 30835586 CRBGBSJZUJHFFR-UHFFFAOYSA-N 333.229 4.394 0 40 EIAB Cc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2cccs2)no1 32095982 NNKOGJDCZWXKTH-UHFFFAOYSA-N 348.453 4.215 0 40 EIAB COc1cc(NC(=O)c2cc(C)n(C3CC3)c2C)c(OC)cc1Cl 32738195 BVJUCJCVVNYOTQ-UHFFFAOYSA-N 348.830 4.363 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccs1 32797225 FSFLOSGLGAYLIT-NSHDSACASA-N 342.386 4.226 0 40 EIAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(F)cc1 33326251 XPVSHPYWAJSHAW-UHFFFAOYSA-N 342.395 4.042 0 40 EIAB CCOc1cccc(CO)c1OCc1ccc(Cl)c(Cl)c1 36986168 WGYUBGGPLSFURO-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB COc1ccc2cc(C(=O)c3ccc(Br)cc3)oc2c1 40433172 SHJQKMHWXSRRQP-UHFFFAOYSA-N 331.165 4.435 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c(C)c1 47375259 QCOUEVNISGJEHU-UHFFFAOYSA-N 325.412 4.086 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)C1(c2cccc(Cl)c2)CCC1 47644170 NTINJRLWPSBWRZ-UHFFFAOYSA-N 332.831 4.025 0 40 EIAB O=C(NOCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCCC3 48234838 MFOJUXJYYITFPV-UHFFFAOYSA-N 334.419 4.298 0 40 EIAB CCN(C(C)=O)c1nc(CN(C)[C@H](C)c2ccc(C)s2)cs1 48353990 JXPUHWWDJKSHPC-GFCCVEGCSA-N 337.514 4.079 0 40 EIAB Cc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364418 KQEUQENYAQMLDM-KRWDZBQOSA-N 344.414 4.154 0 40 EIAB Cc1nnc2ccc(C(=O)Nc3ccc(NC4CCCCC4)cc3)cn12 65514294 GFAKGPYGYWQYJR-UHFFFAOYSA-N 349.438 4.035 0 40 EIAB O=C(C[C@@H]1C=CCC1)N[C@H](c1ccncc1)c1cc2ccccc2o1 69898095 QUURXKZVUMHTCK-QVKFZJNVSA-N 332.403 4.390 0 40 EIAB CCCN(C(=O)c1ccccn1)[C@H](c1ccc(F)cc1)c1cccnc1 72277507 KNZGWYRVOCALJY-HXUWFJFHSA-N 349.409 4.258 0 40 EIAB O=C(CSCc1ccccc1)N1CCC(c2ccsc2)CC1 75157130 SVFYBOUWVJHPTK-UHFFFAOYSA-N 331.506 4.388 0 40 EIAB Cc1nnc([C@@H]2CCCN2Cc2ncc(-c3cccc(Cl)c3)o2)o1 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347.462 4.348 0 40 EIAB Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Cc1ccn[nH]1 172761820 YVUCXCZJOJQXHI-HNNXBMFYSA-N 335.407 4.039 0 40 EIAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222609515 QCVMBXZKBLUHAY-DOPJRALCSA-N 340.496 4.109 0 40 EIAB COc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1)CC(C)(C)O2 222627893 HVTBPIGYKNBPFN-MRXNPFEDSA-N 326.396 4.119 0 40 EIAB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCC2 223193488 CTNWYRWEOGOLLC-KRWDZBQOSA-N 348.490 4.262 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2ccc(C)cc2C)cc1 223441464 WVLJXQMNZAJNJQ-UHFFFAOYSA-N 343.492 4.289 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 224000531 QOILEEPYTHUJBR-INIZCTEOSA-N 327.493 4.446 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCCCCC1 225910125 AGBUUSMYJLETRL-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CCCO[C@]1(C(=O)Nc2cnc(OCC)c(C)c2)CCC[C@H](C)C1 225911485 ODFOMIZOIGHLKR-IFXJQAMLSA-N 334.460 4.103 0 40 EIAB CC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3s2)c1 226773334 VTDNEPLTEHXGIK-UHFFFAOYSA-N 334.262 4.342 0 40 EIAB Cc1ccc([C@H]2C[C@H](C)CCN2CCOc2ccccc2C(=O)O)o1 582730975 XOZUZVIKPQIDBZ-RHSMWYFYSA-N 343.423 4.138 0 40 EIAB Cc1cc(OCCN(C)C)ccc1NC(=O)c1cc(C(C)C)oc1C 585082046 VMDAKHDVJWWBKE-UHFFFAOYSA-N 344.455 4.213 0 40 EIAB CC1(C)CC[C@@H]2[C@@H](CCCN2C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)O1 585282807 AUIFHTIEOMJCAI-IKVWTGGYSA-N 337.548 4.376 0 40 EIAB Cc1cn(-c2cncc(-c3cccc(CN4CCC[C@H]4C)c3)c2)cn1 629703081 ZCHQCKVJQISZEZ-QGZVFWFLSA-N 332.451 4.227 0 40 EIAB Cc1nc(CN[C@@H]2CCCn3nccc32)oc1-c1ccc(Cl)cc1 640217456 BHIBYLOFQFCLPV-OAHLLOKOSA-N 342.830 4.125 0 40 EIAB CC(C)[C@@H](NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1)C1CC1 667008283 RMOMQFQNEUHWOA-LJQANCHMSA-N 340.467 4.071 0 40 EIAB CC[C@@H](C)[C@@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 1136294968 SFPVSXKIJJKJMJ-DNVCBOLYSA-N 338.455 4.048 0 40 EIAB O=C(NCC1([C@@H]2CCCCO2)CCC1)N(CC1CCCCC1)C1CC1 1565147542 IBYUQPOMFIOQRI-IBGZPJMESA-N 348.531 4.480 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2cc(OC(F)(F)F)ccc12 1857793866 MHTQLJLRPPOIPQ-UHFFFAOYSA-N 333.265 4.499 0 40 EIAB 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EIAB COC(=O)c1ccc(OC(C)C)c(NC(=O)Nc2ccc(C)cc2)c1 58130013 VZFNTNDCOKVJDK-UHFFFAOYSA-N 342.395 4.213 0 40 EIAB COCc1c(C(=O)N(Cc2cccnc2)C(C)C)oc2ccccc12 58282402 IQFJBLZYGLNGFZ-UHFFFAOYSA-N 338.407 4.025 0 40 EIAB O=C1C[C@@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 61720429 QYSNQFPCVJBNHI-MRVPVSSYSA-N 341.310 4.101 0 40 EIAB CC(C)CN(C)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 62399548 LXPJNMNTNQPWLK-UHFFFAOYSA-N 328.460 4.175 0 40 EIAB O=C(Nc1cccc(COCC2CC2)c1)N1CCc2sccc2C1 65473468 YCHXTMCEECASGY-UHFFFAOYSA-N 342.464 4.265 0 40 EIAB Cc1csc(-c2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2)n1 69325597 BKSWJNAUUPTOIH-GOSISDBHSA-N 349.459 4.491 0 40 EIAB O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 69385297 OZXYACYRGHBROK-ROUUACIJSA-N 326.827 4.030 0 40 EIAB CSc1ccc(C)c(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)c1 69737040 BRZROXQMNOBAQA-UHFFFAOYSA-N 338.436 4.063 0 40 EIAB O=C(CCCCN1CCCCC1)Nc1ccc(Br)cc1 71256246 UQXIUAXWVLKFCI-UHFFFAOYSA-N 339.277 4.044 0 40 EIAB COc1cccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c1OC 71285823 FGNZMKTUIZRENH-HNNXBMFYSA-N 347.440 4.073 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(SC)c2)c1 71761321 MRLCLOICRLQOSM-UHFFFAOYSA-N 346.477 4.394 0 40 EIAB Cc1nc(CSCc2ccc(C(=O)N3CCCC3)cc2)cs1 78555589 KMPNPOIBLKYWPA-UHFFFAOYSA-N 332.494 4.121 0 40 EIAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CCSCC1 85651674 VUCPOYHJTGLDGJ-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB O=C(NCCc1ccncc1)Nc1ccccc1COc1ccccc1 89845804 CWHJYERFOLVFIN-UHFFFAOYSA-N 347.418 4.025 0 40 EIAB CCc1ccc([C@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)o1 90667705 HFUDNXZUWOLPKJ-HOTGVXAUSA-N 327.472 4.113 0 40 EIAB C[C@H](NCc1cnc(C2CCC2)s1)c1noc(-c2ccccc2)n1 95415608 HBIPRLNCHRUHGI-LBPRGKRZSA-N 340.452 4.311 0 40 EIAB O=[S@@](Cc1cccc(NCc2cccc(O)c2)c1)c1ccccc1 95429124 VIMKJLVCCJWBOL-XMMPIXPASA-N 337.444 4.312 0 40 EIAB CN(Cc1ccccc1Cl)C(=O)Nc1cccc(-c2cn[nH]c2)c1 95466961 OLQGKKHGBRKJCB-UHFFFAOYSA-N 340.814 4.394 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Cl)cc1F 96125657 XRAHSFKEZYVNNQ-KRWDZBQOSA-N 333.790 4.295 0 40 EIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cccc2c1CCCC2 102860347 NZAQUXQXBNHMSV-KILAXVPQSA-N 339.479 4.225 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccccc1C(C)C 216368583 OMUNLXJEUWPULI-MRXNPFEDSA-N 341.451 4.245 0 40 EIAB Cc1cc(N)cc2nc(-c3ccc(N(C)C)c(Br)c3)oc12 216878166 WHWUHEIGDUVSIX-UHFFFAOYSA-N 346.228 4.214 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222950653 NFOCNPRWBUOJCC-INIZCTEOSA-N 343.492 4.054 0 40 EIAB CCc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 223386083 ZVLMJYOLRJPIJK-KPKJPENVSA-N 329.827 4.111 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224154028 DKJAPMFUKRADDW-ZDUSSCGKSA-N 347.842 4.456 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1 224973696 YBAIZKYKXIHJRA-UHFFFAOYSA-N 335.494 4.357 0 40 EIAB COc1ccc(Cl)cc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225120058 TWABGWKDNITOKO-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225319587 JWHWUYQRQZWXPV-LJQANCHMSA-N 341.451 4.212 0 40 EIAB COc1ccc(Nc2ccc(C(=O)OC(C)C)cc2N)cc1Cl 225435004 ORXNYLKKEFDZFI-UHFFFAOYSA-N 334.803 4.240 0 40 EIAB CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 225642112 PIUXDGCUVKLBIA-OAHLLOKOSA-N 344.480 4.148 0 40 EIAB CCOCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1 225716733 QDZORWLZKJCHNB-UZLBHIALSA-N 349.471 4.026 0 40 EIAB CCc1ccc(NC(=S)N[C@H](C)COc2ccccc2OC)cc1 225785942 UMGQUKNVQQTJTK-CQSZACIVSA-N 344.480 4.012 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 226036711 JHSCQMMNMFFKII-UHFFFAOYSA-N 331.730 4.146 0 40 EIAB CCOc1ccccc1-c1ccc(C(=O)O)c(Cc2ccccc2)n1 257283751 OZSYSSOKAQMNND-UHFFFAOYSA-N 333.387 4.436 0 40 EIAB CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)c2ccccc21 409116422 KEOADQRKUNFQHC-LGMDPLHJSA-N 337.419 4.309 0 40 EIAB CCc1cccc2c(C=O)cn(CCCOc3ccccc3OC)c12 409201947 RJLWSONMBXBUEF-UHFFFAOYSA-N 337.419 4.494 0 40 EIAB Cc1nc([C@@H](N[C@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 527688053 MZDJWFBRNZDUQC-GEMNNEOKSA-N 331.847 4.145 0 40 EIAB CC(C)(CNS(=O)(=O)c1cccc2ccccc12)c1ccsc1 1565519500 QNFYMBOMDXYAMU-UHFFFAOYSA-N 345.489 4.157 0 40 EIAB Cc1sc2nc(SCc3cccc(F)c3)n(C)c(=O)c2c1C 523691 BVYUJGDMLQLPAN-UHFFFAOYSA-N 334.441 4.043 0 40 EIAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(C)cc3)NC(=O)CN21 2398709 LAQWZTJZWIVJGC-OTOIZHKDSA-N 346.474 4.195 0 40 EIAB O=C(COC(=O)c1cccnc1Cl)c1ccc(Cl)cc1Cl 3315802 YFCULZVKMYBZLJ-UHFFFAOYSA-N 344.581 4.082 0 40 EIAB COc1ccc(Br)c(C(=O)NC2CCCCCCC2)c1 3566918 BRWCPFNFXQALGR-UHFFFAOYSA-N 340.261 4.300 0 40 EIAB Cc1cc2cc(CNC(=O)c3cccc(C(F)(F)F)c3)ccc2n1C 4061529 GXHWDDXPHDJDTL-UHFFFAOYSA-N 346.352 4.436 0 40 EIAB Cn1c(-c2cccc(Br)c2)cnc1NCc1ccccc1 4678328 RACMMKOJOVSVKV-UHFFFAOYSA-N 342.240 4.462 0 40 EIAB O=C1C[C@H](c2ccc3ccccc3c2)c2c(c3ccccc3oc2=O)O1 4721316 KWLRARSVXXWDPX-QGZVFWFLSA-N 342.350 4.387 0 40 EIAB CCN(c1ccccc1)[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O 4853070 XUMFAJZXWFPPTO-KRWDZBQOSA-N 326.421 4.047 0 40 EIAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 4995238 YRGCTVQNBSQBPI-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB CCOc1ccc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)c1 5452024 AJJFINSHJYOLTK-UHFFFAOYSA-N 325.364 4.430 0 40 EIAB biogenic COc1ccc(CCC(=O)Nc2ccccc2Br)cc1 5526977 GZMCXTZZXMWPJT-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB COc1ccc(-c2nnc(SCCOc3ccc(F)cc3)o2)cc1 6078746 ZOXAWCRDFMBDLI-UHFFFAOYSA-N 346.383 4.055 0 40 EIAB CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 6240719 WLBDSXSAFXAWHT-UHFFFAOYSA-N 344.377 4.061 0 40 EIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCCC1=CCCCC1 6506703 CNWAEHYWWOELJP-UHFFFAOYSA-N 349.887 4.315 0 40 EIAB Cc1occc1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 7848059 ARGHOTLEEIMLHZ-VIFPVBQESA-N 342.178 4.079 0 40 EIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 8215038 UZGAOPMZEKTHOF-AWEZNQCLSA-N 343.448 4.124 0 40 EIAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8869608 PXMOQRFGGYODRG-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB Cc1cc(SCc2cc(F)cc3c2OCOC3)nc(C(C)C)n1 9450512 GEYLLVWIUOEQPW-UHFFFAOYSA-N 334.416 4.206 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)cc1 11171860 HIKREFCFNZUVAQ-INIZCTEOSA-N 349.430 4.495 0 40 EIAB O=Cc1cc(Cl)cc(Br)c1OCc1ccccc1 11860779 VBAJSLCOXLTTBK-UHFFFAOYSA-N 325.589 4.494 0 40 EIAB O=c1[nH]c(SCc2ccc(Cl)c(Cl)c2)nc2c1CCCC2 11905562 UBGFWQZOMURMGS-UHFFFAOYSA-N 341.263 4.248 0 40 EIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3)c12 12226965 PVRRELZEYKYDEE-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB Cc1ccsc1-c1nnc2sc(-c3cccc(F)c3F)nn12 12322433 WYUBCUCMZRPXBX-UHFFFAOYSA-N 334.376 4.168 0 40 EIAB C[C@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 12797360 BSDOLIFWSADWTP-ZDUSSCGKSA-N 343.398 4.307 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 12856713 DWNZTBPMSKXMNZ-BZNIZROVSA-N 349.402 4.085 0 40 EIAB COc1ccccc1CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12861922 YXLKEIPFRXYCIT-UHFFFAOYSA-N 348.446 4.328 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)c1csc(-c2ccccc2)n1 12983050 YFJBOWGMXLOHQW-CYBMUJFWSA-N 338.432 4.310 0 40 EIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(C)cc1 14219739 PAEKFXKFNUAWKL-GOSISDBHSA-N 331.481 4.350 0 40 EIAB CCCCC(=O)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 14258098 LLGFKJJBZOVAME-UHFFFAOYSA-N 336.439 4.420 0 40 EIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 16623263 NWWQVVXORJACNE-HNNXBMFYSA-N 328.481 4.176 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(F)cc1 21707875 XCWGOMWXMPRZNM-CQSZACIVSA-N 329.415 4.379 0 40 EIAB COc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OC(F)F 25531593 POFVWDHYPYHUOZ-UHFFFAOYSA-N 344.317 4.097 0 40 EIAB COc1ccc(OC)c(CCC(=O)Nc2cccc(Cl)c2C)c1 30810887 NSGRBWAPMGKVQG-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB CCOc1ccccc1OCC(=O)N[C@H](C)c1ccc(Cl)s1 32038849 JFRGXEHCVJTYPS-LLVKDONJSA-N 339.844 4.056 0 40 EIAB O=C1CCCN1c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 32411105 GGCDHBRFJMBZMD-UHFFFAOYSA-N 348.446 4.264 0 40 EIAB CN(C(=O)CSc1ccc(F)cc1F)[C@H]1CCc2ccccc21 32905661 ARHMMHISSGQFGN-INIZCTEOSA-N 333.403 4.203 0 40 EIAB Cc1c(Cl)cccc1N1C(=O)C[C@H]([C@@H](C)c2ccccc2)C1=O 35142047 RWCOEDHENPOZRT-SWLSCSKDSA-N 327.811 4.332 0 40 EIAB CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832247 TXMJCTOEONBPQY-OCCSQVGLSA-N 343.298 4.120 0 40 EIAB O=C(NCc1ccc(F)cc1)N(Cc1ccsc1)Cc1ccco1 42382100 UHTFFIMCEDEUGC-UHFFFAOYSA-N 344.411 4.392 0 40 EIAB O=c1[nH]c(C[C@@H]2CCCO2)nc2scc(-c3ccccc3Cl)c12 55492053 CTEJKLXZKOGPDB-JTQLQIEISA-N 346.839 4.027 0 40 EIAB CCCN(C(=O)NCc1ccccc1OC)[C@H]1CCc2ccccc21 58157777 YDXMXSAHIBXFFW-IBGZPJMESA-N 338.451 4.304 0 40 EIAB O=C(C1CCC(n2cccc2)CC1)N1CCCC[C@H]1c1nccs1 72285962 CQODMJBNYHTRJI-JCYILVPMSA-N 343.496 4.430 0 40 EIAB Fc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 72358614 AKDVVVQCSNAPNK-QGZVFWFLSA-N 348.425 4.057 0 40 EIAB COCCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 79070844 BPQIBUYZHRXTIQ-LLVKDONJSA-N 330.255 4.256 0 40 EIAB CCOCc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1 79817382 DTPUWDHTNLXGAW-UHFFFAOYSA-N 333.457 4.045 0 40 EIAB COCc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)c2ccsc2)o1 95944858 IDQAUDYJPYIWOY-BBRMVZONSA-N 348.468 4.138 0 40 EIAB CO[C@@](C)(CNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 96392417 IRTCXUIZFNDKEW-IBGZPJMESA-N 343.810 4.378 0 40 EIAB CC(C)(C)[S@@](=O)CCNC(=O)N(c1ccccc1)c1ccccc1 97082768 JNUYDQNDLJSRSC-XMMPIXPASA-N 344.480 4.082 0 40 EIAB COc1ccc2[nH]cc(CCC(=O)c3ccc(OC)c(OC)c3)c2c1 199729131 UNAJUDQFGPHUNG-UHFFFAOYSA-N 339.391 4.009 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1Cl 223250428 MDYFYEBANWNBKH-GFCCVEGCSA-N 329.827 4.328 0 40 EIAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COC(C)C 224423466 VELBGAQMUWTJKF-UHFFFAOYSA-N 327.424 4.489 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 224996589 KKABDRFBCMIULR-ZDUSSCGKSA-N 344.842 4.429 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)NCCSC1CCCC1 225149787 HCGYFYBZHQCXKM-UHFFFAOYSA-N 343.945 4.365 0 40 EIAB COc1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1 225586859 ADVAPXBUZJPOSQ-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB CCOc1ccc(CCCNC(=S)Nc2ccc(F)cc2)cc1 225621928 LOPKXEJCHDFCTJ-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB Cc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1Cl 225759419 VSCFKEGESWJYIL-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H](C(=O)O)[C@@H](C(C)C)O[C@@H]21 257236544 HCPZULVAKIPIKN-SRABZTEZSA-N 348.439 4.059 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)cc2)S1 260763042 IEPSDEGHUBKREL-HFBAOOFYSA-N 329.856 4.324 0 40 EIAB COc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 575443515 QLJLGMFLWZMQNA-QGZVFWFLSA-N 333.840 4.436 0 40 EIAB Cc1cccc([C@H](C)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 606830790 URKUJKBBULXGPZ-INIZCTEOSA-N 345.446 4.291 0 40 EIAB CCc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 107076 PVYYSTHASNPUKU-OAHLLOKOSA-N 334.394 4.487 0 40 EIAB Cc1ccc2oc(-c3cc(NC(=O)c4ccco4)ccc3O)nc2c1 258656 DPWYXPWIZBNMDL-UHFFFAOYSA-N 334.331 4.354 0 40 EIAB CSc1c(SCc2ccccc2)cnn(-c2ccccc2)c1=O 385738 FTCJJPFQWWUBGS-UHFFFAOYSA-N 340.473 4.247 0 40 EIAB Cc1ccc(SCc2nnc(NC(=O)c3ccccc3)s2)cc1 482145 FQNGKRIXVKPZSE-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)c(Cl)c1 1568319 CXKAPXHCFBIPEY-UHFFFAOYSA-N 331.586 4.187 0 40 EIAB O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(Cl)c1 1749689 YLQATUGTMVZFPW-UHFFFAOYSA-N 344.625 4.342 0 40 EIAB CCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1 2232074 LLNNAMCBVWHVQU-UHFFFAOYSA-N 347.374 4.359 0 40 EIAB O=C(c1cccc(CN2CCSCC2)c1)c1ccc(F)c(Cl)c1 2515296 OQNNRIKIUOBFAX-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1Cl 2616365 WIAFUYAECPHQPD-UHFFFAOYSA-N 326.827 4.068 0 40 EIAB Cc1ccc(C(NC(=O)NCc2ccco2)=C(Cl)Cl)cc1F 3189656 MMWUQAGKTBPADR-UHFFFAOYSA-N 343.185 4.330 0 40 EIAB CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 3912438 QXAOLUADHAFHBG-UHFFFAOYSA-N 335.860 4.401 0 40 EIAB CCOc1ccc2nc(NC(=O)Nc3cccc(OC)c3)sc2c1 4071299 VHUWTNAIZRUUNV-UHFFFAOYSA-N 343.408 4.348 0 40 EIAB c1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1 6616071 XKKLXEQKRVDNPH-UHFFFAOYSA-N 325.460 4.450 0 40 EIAB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 7468235 QNIFJTPOSWAGAT-UHFFFAOYSA-N 334.375 4.045 0 40 EIAB C[C@@H]1Oc2c(C(=O)NCCc3c[nH]c4ccccc34)cccc2[C@H]1C 8275931 PEDBDRRKYBNSPG-KBPBESRZSA-N 334.419 4.025 0 40 EIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1C 9271887 NSQWACXHBPEODU-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB Cc1sc2ncnc(NCCc3ccc(-n4cccn4)cc3)c2c1C 9384534 RIAARVQVCOVLCH-UHFFFAOYSA-N 349.463 4.148 0 40 EIAB O=C(Cn1ccnc1)Nc1ccccc1Sc1ccc(Cl)cc1 10809385 NCHDXBSTDUKGOD-UHFFFAOYSA-N 343.839 4.326 0 40 EIAB C[C@H](NC(=O)[C@@H](C)N1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 12791824 CGICDSNEXCUKLZ-MELADBBJSA-N 346.471 4.072 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(C)(C)C)no1 12918631 XENBJHHPOYUGRD-UHFFFAOYSA-N 336.819 4.422 0 40 EIAB CCc1ccc([C@@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 12972692 KQOPZGAUGHDUOA-GOSISDBHSA-N 349.463 4.258 0 40 EIAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 13019094 STBKBSVQRHNLBI-KZULUSFZSA-N 346.833 4.150 0 40 EIAB COc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 13549934 IGGKWFIPADVNEA-UHFFFAOYSA-N 325.393 4.463 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC)c1 13672250 MEUMHBQRIRFBBE-UHFFFAOYSA-N 329.421 4.146 0 40 EIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(F)cc1 14687345 CYEOAAIHWKZYCM-UHFFFAOYSA-N 333.384 4.194 0 40 EIAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(C)cs2)cc1 15007197 DTYPJWJIKLMDID-UHFFFAOYSA-N 343.477 4.373 0 40 EIAB Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c(Cl)cccc12 15318487 ROAARDPQRNPITB-UHFFFAOYSA-N 343.766 4.053 0 40 EIAB Cc1nc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)sc1C 16740179 XSHWODGVAVQBEJ-UHFFFAOYSA-N 332.425 4.069 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCc1ccccc1 17309828 RMZWOYQDJGSRRH-UHFFFAOYSA-N 329.806 4.263 0 40 EIAB Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)c1ccccc1 22532992 IDADVUMLIGASLV-UHFFFAOYSA-N 339.416 4.195 0 40 EIAB CC(C)OCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 23055238 NITXKMJBJISXFN-UHFFFAOYSA-N 329.465 4.059 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)n[nH]2)s1 23108135 XFYMKCYYXICNAE-KGLIPLIRSA-N 329.469 4.099 0 40 EIAB Cc1cc(OCC(=O)Nc2cc(-c3ccccc3)no2)ccc1Cl 27664253 GOOMKYZMINEOOK-UHFFFAOYSA-N 342.782 4.321 0 40 EIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC 27824505 KWILDCFQQZTKPQ-UHFFFAOYSA-N 347.908 4.248 0 40 EIAB COc1ccc([C@@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C2)cc1 38566622 NNCBKPMLIRHXJS-CQSZACIVSA-N 349.352 4.344 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 38772462 XJZUDDPLFHGFTC-GJZGRUSLSA-N 329.465 4.194 0 40 EIAB COc1cccc2cc(CN[C@@H](c3ccccc3)c3nccn3C)oc12 40091396 NFKZCNLLWSFOAU-IBGZPJMESA-N 347.418 4.054 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(C)sc2C)cc1 40145804 UFZGRLFCQREWNS-LLVKDONJSA-N 347.440 4.426 0 40 EIAB O=C(c1ccc(C2OCCO2)s1)c1c(Cl)cccc1Cl 43210440 JYCBJHNTXYUCOF-UHFFFAOYSA-N 329.204 4.331 0 40 EIAB CC(C)(C)SCCNC(=O)c1ccc(CN2CCCCCC2)cc1 44786542 OFWYLSXZIIBVAL-UHFFFAOYSA-N 348.556 4.324 0 40 EIAB C[C@H](OCC1CC1)C(=O)Nc1ccc(SCc2cccnc2)cc1 48374175 KLHPTSQPPMZLKN-AWEZNQCLSA-N 342.464 4.128 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](c1ccccc1Cl)N1CCCC1 57234760 WIUCUUCKSXFMEV-GOSISDBHSA-N 328.843 4.424 0 40 EIAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C(F)(F)F 57316735 DPXACDJXDLPITG-UHFFFAOYSA-N 341.676 4.044 0 40 EIAB O=C(NC[C@H](O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 58265298 KAGSHTPJNCUGCE-AWEZNQCLSA-N 344.625 4.110 0 40 EIAB O=C(C[C@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 65493952 FZDKQGGTURVRMO-HOCLYGCPSA-N 345.393 4.035 0 40 EIAB C[C@H](Nc1cccc(Cn2cccn2)c1)c1nnc(-c2ccccc2)o1 65513190 YUSQNROZDXHXQP-HNNXBMFYSA-N 345.406 4.155 0 40 EIAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68756301 XIGFGPGVBNVZJQ-ZIAGYGMSSA-N 335.234 4.151 0 40 EIAB COc1ccc([C@H](C2CC2)n2c(=S)[nH]c3ccccc3c2=O)cc1 73123961 UDDBFCIRONZBFT-KRWDZBQOSA-N 338.432 4.067 0 40 EIAB CC(C)N(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C1CCC1 75145076 MGFBSERPZYOVDD-UHFFFAOYSA-N 330.403 4.203 0 40 EIAB C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1cccc(Br)c1 76068609 NKNXCEKASUYWFY-NEPJUHHUSA-N 325.250 4.492 0 40 EIAB Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H](C)n2ccnc2)c1 76624334 FDBBGKQXRXLITF-LLVKDONJSA-N 343.374 4.046 0 40 EIAB Cc1nc(CN(C)C(=O)c2ccc(-c3ccsc3)nc2C)cs1 78395049 HRQSRDCUAUXKRU-UHFFFAOYSA-N 343.477 4.156 0 40 EIAB C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 89894253 OBIJBSBNZJHLAJ-CVEARBPZSA-N 340.423 4.104 0 40 EIAB Cc1ccccc1Cc1nnc(CN2CCC[C@H]2c2ccc(O)cc2)o1 95415695 SSXCETGLYPEIHZ-IBGZPJMESA-N 349.434 4.012 0 40 EIAB CC(C)n1ccc2c(C(=O)NCCn3cnc4ccccc43)cccc21 95474246 BBHFQMDCZSVTHD-UHFFFAOYSA-N 346.434 4.002 0 40 EIAB Cc1nc(C(=O)Nc2nc(C)c(C)s2)c(Cc2ccccc2)s1 95476108 RXCANKOLKSSDRU-UHFFFAOYSA-N 343.477 4.368 0 40 EIAB CC(=O)Nc1ccc(NCc2ccsc2)c(Br)c1 95981710 BGRVSACVLAIIMN-UHFFFAOYSA-N 325.231 4.081 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@H](OC)c2ccc(C)s2)cc1 96104716 JRWWFVIFXBKYMS-KRWDZBQOSA-N 347.480 4.353 0 40 EIAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C1 96122470 UCLGGEGQYPGHTK-GOSISDBHSA-N 349.434 4.035 0 40 EIAB CCO[C@H](C)c1nc(CC(=O)NCc2c(C)cc(C)cc2C)cs1 96409204 RGQVFOOWMBLQRY-OAHLLOKOSA-N 346.496 4.025 0 40 EIAB CC[C@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F 96476583 KJJGCEQDVCEFQJ-WBMJQRKESA-N 335.398 4.497 0 40 EIAB C[S@](=O)(=NC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 100016119 PRVJQCSVSQRYHB-OAQYLSRUSA-N 344.223 4.077 0 40 EIAB CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2Cc1ccoc1 100648117 HEYXXBUDMDVUNQ-HLAWJBBLSA-N 325.452 4.490 0 40 EIAB O=C(Nc1scnc1-c1ccccc1)[C@@H]1CCOc2ccccc21 102853598 PWLDENQRPZDQOP-OAHLLOKOSA-N 336.416 4.315 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Nc2ccc(COC(C)C)cc2)cc1 113554260 VXBHDZAJEFQGIJ-UHFFFAOYSA-N 341.411 4.214 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 128011521 YOBOWGQJDRORSM-UHFFFAOYSA-N 326.327 4.132 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 224369283 RCJNYCOEHOHIEN-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB COc1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1C 225690251 LNNORDZFJFUIOG-KRWDZBQOSA-N 325.452 4.074 0 40 EIAB C[C@@H](NC(=O)c1snnc1-c1cccs1)c1ccc(Cl)cc1 225790841 ABUUBJRZRFXGCY-SECBINFHSA-N 349.868 4.411 0 40 EIAB Cc1ccc(Oc2ccccc2)c(NC(=O)c2cn(C)c(C)cc2=O)c1 225805449 PXPCITICRVYABF-UHFFFAOYSA-N 348.402 4.047 0 40 EIAB Fc1cccc(F)c1NC(=S)NC1(c2ccncc2)CCCC1 225860268 WGPBYUVOJLUUCS-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB CCc1nc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2n1C 225896933 XYGWZSSNJCRLKU-UHFFFAOYSA-N 343.814 4.050 0 40 EIAB COc1ccc2nc(Cl)c3c(Cl)c(C(=O)O)sc3c2c1 228943251 ZAEKAMIJTQOSKM-UHFFFAOYSA-N 328.176 4.463 0 40 EIAB CN(C(=O)c1cc(-n2cccc2)ccn1)[C@@H]1CCCc2ccccc21 515083550 YZUNDRBSYRSFNO-HXUWFJFHSA-N 331.419 4.022 0 40 EIAB CCc1ccc([C@H]2C[C@@H](C)CCN2c2nccc(-c3cnccn3)n2)o1 517071640 KMOGGPMBFVKPOC-KBXCAEBGSA-N 349.438 4.067 0 40 EIAB CCn1nc(/C=C(\C)c2nc(O)c3ccsc3n2)c2ccccc21 545309598 FHUPHRZOXLFZDF-ZHACJKMWSA-N 336.420 4.327 0 40 EIAB CSCC[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)n1cccc1 1565534645 VZVFKHXCIBZZQR-ZDUSSCGKSA-N 349.456 4.170 0 40 EIAB C[C@@H](NC(=O)c1cc(O)nc2c1CCCC2)c1cccc(C2CC2)c1 1637640777 RFVCBMYTTDXATN-CYBMUJFWSA-N 336.435 4.034 0 40 EIAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 532478 NGCAJKYLIFVFND-CVEARBPZSA-N 340.814 4.086 0 40 EIAB CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3s2)c1 553847 HZKVYDMOVPUNRF-UHFFFAOYSA-N 342.445 4.230 0 40 EIAB CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 575046 PNBNFKUEZOBVFJ-ATVHPVEESA-N 346.342 4.372 0 40 EIAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)cc1 1009552 UJISPERWXCGQSC-GZTJUZNOSA-N 338.432 4.409 0 40 EIAB O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3ccccc3)N12 1035655 MAGIISGXNRAQOZ-IBGZPJMESA-N 332.428 4.030 0 40 EIAB CCCc1sc(C(=O)N2CCCC[C@H]2C)cc1Br 1459102 UJNDTYFECRJERL-SNVBAGLBSA-N 330.291 4.478 0 40 EIAB CC[C@@H](COC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC 2023319 YMGXPAUZNSVSLK-FQEVSTJZSA-N 339.479 4.482 0 40 EIAB CCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 2422646 NSNHBBFLUQEWKT-UHFFFAOYSA-N 332.407 4.455 0 40 EIAB COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 3194056 ZQYAZAYPFANIJH-UHFFFAOYSA-N 332.812 4.140 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCCC(C)C)n1 4050113 YWRIINJIYUHCPD-UHFFFAOYSA-N 347.480 4.265 0 40 EIAB Cc1ccccc1C(=O)N1CCN=C1SCc1ccc(Cl)cc1 4120055 YYLUHUJMQZOGLF-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1cccc(Cl)c1 4163367 XYKWBNNGBIKTMD-UHFFFAOYSA-N 326.783 4.057 0 40 EIAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1C 4223296 MTLDGTZXUXDFQS-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB O=C(Nc1ccc(Cl)cn1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4492328 LCCCEXQBOUOSBL-OLZOCXBDSA-N 341.625 4.261 0 40 EIAB CC[C@H](Oc1ccccc1)c1nn2c(-c3cccs3)nnc2s1 4939249 VWSCVWSURWOTQE-LBPRGKRZSA-N 342.449 4.444 0 40 EIAB C[C@H](OC(=O)c1cc(Cl)ccc1O)c1nnc(-c2ccccc2)o1 5298274 SKANFBSBBPWADX-JTQLQIEISA-N 344.754 4.014 0 40 EIAB CCc1ccc2nc(NC(=O)CCc3c(C)noc3C)sc2c1 5937963 UOFCSHHBBLYCCY-UHFFFAOYSA-N 329.425 4.035 0 40 EIAB COc1ccc(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6375616 PRLHVMFUPOPMLA-UHFFFAOYSA-N 345.442 4.264 0 40 EIAB CCOc1ccc(OCCC(=O)Nc2cc(Cl)ccc2OC)cc1 6588807 PRPLNECYQGXMIE-UHFFFAOYSA-N 349.814 4.155 0 40 EIAB Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)no1 6940985 YJRPURONVVPRPC-UHFFFAOYSA-N 342.468 4.368 0 40 EIAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCCCC2)c1 7378014 DQJVRYCGZZNIJA-HXUWFJFHSA-N 338.451 4.251 0 40 EIAB CN(CCCNC(=O)CSc1ccc(Cl)cc1)c1ccccc1 7889580 GNEKCRFVVIUPHD-UHFFFAOYSA-N 348.899 4.075 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1O)c1ccc(-c2ccccc2)cc1 7986797 JEFKXLWKKWKPIQ-MRXNPFEDSA-N 347.414 4.315 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8536036 GRJBZKMIGZNOMW-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB c1ccc(CCCc2nn3c(C4CCCCC4)nnc3s2)cc1 8991540 BWSUUPAGELSQDI-UHFFFAOYSA-N 326.469 4.409 0 40 EIAB Fc1ccc(Nc2nc(Nc3ccccc3)c3nccnc3n2)cc1 9075219 YWIAMAWGHGMVFC-UHFFFAOYSA-N 332.342 4.046 0 40 EIAB COc1ccc(SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 10022686 GKBGAEULIMOBQW-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB CCn1/c(=N/N=c2\ccc3ccccc3n2CC)ccc2ccccc21 13161638 MNEKZEMIACTINB-MBALSZOMSA-N 342.446 4.052 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167727 XTJHAKWMQCUTOV-UHFFFAOYSA-N 347.798 4.469 0 40 EIAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 13250522 PCNTZOXPXKUZNP-CQSZACIVSA-N 338.190 4.190 0 40 EIAB CCc1ccccc1-n1c(S)nnc1COc1ccccc1C 13535132 YXJYPGWAVCWHBQ-UHFFFAOYSA-N 325.437 4.006 0 40 EIAB C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 14235160 XBEGBZOVDXKCPH-INIZCTEOSA-N 329.399 4.409 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)NCCc2ccccc2)cc(C)c1Cl 14401062 BERAKHAAJSDVRJ-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CCN1C(=O)[C@@H](Cc2ccc(F)cc2)c2cc(Br)ccc21 15018152 KTIFFCULLFLBAR-HNNXBMFYSA-N 348.215 4.281 0 40 EIAB O=C1C[C@@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(F)cc1 15082887 ISGOYOKRMVERCW-SNVBAGLBSA-N 330.746 4.141 0 40 EIAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OC(F)F)cc1 15475685 RZEYTBRYBCIETK-LBPRGKRZSA-N 346.377 4.216 0 40 EIAB CC(C)c1nccn1[C@H](C)c1cc(O)n2ncc(-c3ccccc3)c2n1 19454345 ZZRCXCMFENIQSG-CQSZACIVSA-N 347.422 4.031 0 40 EIAB CCC(=O)N1CCCc2ccc(NC(=O)Nc3cccc(C)c3)cc21 22502878 VGOPDXFXTKPRIG-UHFFFAOYSA-N 337.423 4.328 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 23718382 NXNJMTVZEKUHTB-MFKMUULPSA-N 334.872 4.312 0 40 EIAB C[C@H](NC(=O)c1cccnc1SC(F)F)c1ccccc1F 24629019 CQGUALXNTNUXGA-VIFPVBQESA-N 326.343 4.026 0 40 EIAB S=c1scnn1CN1CCC[C@@H]1c1nc2ccccc2s1 24766644 BFFIJIYGICTWRO-LLVKDONJSA-N 334.495 4.078 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1onc2c1CCCC2 27662390 HAYRKTPNAMBIHN-ZDUSSCGKSA-N 342.439 4.257 0 40 EIAB C[C@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCCO2 32284780 AVPUQNMCPPKPOX-HNNXBMFYSA-N 347.414 4.492 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2ccc(F)cc2F)C1 36360208 NXMCKIBDZOUSIK-AWEZNQCLSA-N 343.308 4.413 0 40 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Cc1cc(C)cc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225842652 AUOUDKFYPNTMNR-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2cccnc12 225890292 NGTRYKIIFOEPHV-JLTOFOAXSA-N 342.439 4.167 0 40 EIAB CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OC(F)F 245228203 JWBLZTUCQBUYHU-YRGRVCCFSA-N 341.398 4.241 0 40 EIAB CC(C)Cc1ncc(-c2cncc([C@H]3CCCN3C(C)C)n2)s1 257326791 WYOUNYXSVUFWAW-MRXNPFEDSA-N 330.501 4.344 0 40 EIAB O=C(O)CCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C\CCCCCO 299888544 NUPDGIJXOAHJRW-AYCUUDNYSA-N 336.472 4.160 0 40 EIAB COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(C)C 408678912 KEFRSBVQJIZWID-UHFFFAOYSA-N 339.501 4.210 0 40 EIAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccsc2)cs1 1889074653 NJGWKZZKZYNYMQ-UHFFFAOYSA-N 331.437 4.475 0 40 EIAB CC(C)[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCOC(C)(C)C1 490393 MRENQJGAOWEDBH-HZPDHXFCSA-N 343.467 4.150 0 40 EIAB CCOc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 490927 HTPBVWUJELYUFS-UHFFFAOYSA-N 326.348 4.301 0 40 EIAB biogenic COc1ccccc1[C@H]1Nc2ccccc2[C@H](OC(C)=O)C1(C)C 576534 LLXWSMOOHBWXTE-MOPGFXCFSA-N 325.408 4.492 0 40 EIAB NC(=O)c1ncc(C(F)(F)F)cc1SCc1ccc(Cl)cc1 1385419 UXMDMYRKBNOVMN-UHFFFAOYSA-N 346.761 4.145 0 40 EIAB CC[C@H](COC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC 1672204 YMGXPAUZNSVSLK-HXUWFJFHSA-N 339.479 4.482 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Cl)cc1 1934382 ACRFXDBYLAEQHH-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCCOc1ccccc1 2645855 LAMAGKHKERFRJR-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 3300006 LYZWHFWWRYJTQG-GFCCVEGCSA-N 347.361 4.274 0 40 EIAB CCCOc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 3348266 NMLSZMVJWQOPMJ-UHFFFAOYSA-N 341.432 4.429 0 40 EIAB COc1cccc2sc(NC(=O)c3cccc(SC)c3)nc12 4517474 MHYJUCBHZRQKAM-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB CCCn1c(NC(=O)c2c(F)cccc2Cl)nc2ccccc21 4900362 DZARWWCIYVROAF-UHFFFAOYSA-N 331.778 4.491 0 40 EIAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 5661910 CAPIXNYGZXEHKG-KRWDZBQOSA-N 349.839 4.136 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 6314974 JRACYTFALGFXHL-UHFFFAOYSA-N 344.263 4.089 0 40 EIAB Cc1csc(NC(=O)CSc2cccc(C(F)(F)F)c2)n1 6638335 DIIDJYHPAIDALU-UHFFFAOYSA-N 332.372 4.201 0 40 EIAB O=C(O)c1ccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1 7333508 GDNAICYNBZEMBH-GHXNOFRVSA-N 332.768 4.233 0 40 EIAB CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1C1CC1 8327882 VNVBABYSSXQBEO-VIFPVBQESA-N 347.469 4.140 0 40 EIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C(=O)CC1(CCCCC1)O2 9183971 WEGHNHDZIDHMIO-UHFFFAOYSA-N 338.403 4.258 0 40 EIAB Cc1cc(C)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1 9245005 SONSZYOCVZSTCK-UHFFFAOYSA-N 343.370 4.431 0 40 EIAB Cc1ccc(CCC(=O)NCCSCc2ccccc2F)cc1 10281888 SHFULAFZFBMWGZ-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB CC1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 12824304 YARVVGKJORRMEU-UHFFFAOYSA-N 342.464 4.309 0 40 EIAB CC(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 12978863 PNJWSJWZRKNOAN-OAHLLOKOSA-N 347.414 4.299 0 40 EIAB Fc1ccc(-c2nnc(S)n2-c2cccc3ncccc23)c(F)c1 13571505 MXSOVFZXFMSZLF-UHFFFAOYSA-N 340.358 4.049 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2SC)cc1 14117140 ACXGXHUBXKCSNR-UHFFFAOYSA-N 342.508 4.180 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC(C)C)cc1 14400217 VUAZPEPAUZAVHC-IBGZPJMESA-N 343.423 4.279 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1 15836293 AYFYKWQUQZUPOA-MRXNPFEDSA-N 335.494 4.397 0 40 EIAB Cn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccccc1F 19291614 UMJBZTYSQOLGCV-UHFFFAOYSA-N 337.402 4.038 0 40 EIAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2Cc1ccccn1 19713447 HIACQHDMUKNSLY-VJBWXMMDSA-N 349.522 4.190 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 20455624 ATQZXIVBIOILJV-CVEARBPZSA-N 349.430 4.493 0 40 EIAB COc1ccc(CCNCc2cc(Cl)cc(Cl)c2OC)cc1 22074756 DBDRDPNMXXEMAD-UHFFFAOYSA-N 340.250 4.343 0 40 EIAB CN(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12 22075211 GFTUKHURUNUQDO-UHFFFAOYSA-N 334.463 4.070 0 40 EIAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2C2CCCCC2)on1 22282433 LWNFCWDIWRKUDI-UHFFFAOYSA-N 348.472 4.032 0 40 EIAB Cc1cc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)no1 25137718 XQOQSNNINQYMMK-UHFFFAOYSA-N 338.432 4.082 0 40 EIAB Cc1ccc(Cn2cc(NC(=O)Nc3ccc(F)cc3F)cn2)cc1 27919989 NSDZMIDRUQIZGI-UHFFFAOYSA-N 342.349 4.162 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 30860624 JJSUPDNQXYRQBY-CABCVRRESA-N 329.465 4.362 0 40 EIAB COc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 40946416 MCKFPLOXNQKNJK-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB COc1cc(CNC(=O)c2ccc(C)s2)ccc1OC1CCCC1 48332185 HHCWTXDDZNWWBU-UHFFFAOYSA-N 345.464 4.317 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2F)cc1 51354295 TWNZTXJJZMCUAW-UHFFFAOYSA-N 336.750 4.300 0 40 EIAB COc1ccc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412249 FSFVKWYVVXDHFS-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 58265297 KAGSHTPJNCUGCE-CQSZACIVSA-N 344.625 4.110 0 40 EIAB Cc1nc(-c2cccc(C(=O)O)c2)sc1C(=O)Nc1ccccc1 58356657 WSMPTUCRSJQIEA-UHFFFAOYSA-N 338.388 4.069 0 40 EIAB CC(C)CCC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 65622147 WLMKCRSZMIZUER-HNNXBMFYSA-N 335.398 4.114 0 40 EIAB Cn1cc([C@@H]2CCCN2Cc2coc(-c3ccc(Cl)cc3)n2)cn1 71799321 MVFGDFKABXBKAI-KRWDZBQOSA-N 342.830 4.066 0 40 EIAB CC(C)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 71829980 JFLHBPPUNHHUBJ-INIZCTEOSA-N 348.393 4.199 0 40 EIAB Cc1ccccc1CNc1ncc(-c2nccn2C)c(-c2ccco2)n1 72340784 JLSNSLVBAUMWIZ-UHFFFAOYSA-N 345.406 4.058 0 40 EIAB COC(=O)Nc1cccc(OCc2nc(-c3ccco3)oc2C)c1 81080518 BCMWRBQYITWIHH-UHFFFAOYSA-N 328.324 4.000 0 40 EIAB O=C(/C=C/c1c(F)cccc1F)Nc1cccc(CN2CCCC2)c1 89779585 NGACACGWZADGAL-MDZDMXLPSA-N 342.389 4.213 0 40 EIAB COc1ccc(O)c(-c2ccnc3c(C)c(-c4ccccc4)nn23)c1 95473986 XWJXBOUAEJATQI-UHFFFAOYSA-N 331.375 4.086 0 40 EIAB CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 95929856 UAYISMIQJYNJAB-OAHLLOKOSA-N 325.836 4.021 0 40 EIAB Cc1nnc(CN[C@H]2CCCC[C@H]2c2ccccc2C(F)(F)F)o1 97110959 IPVUBBHYIFUVFG-ZFWWWQNUSA-N 339.361 4.213 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 100286001 IVFTZBNUSRCRLK-QLJPJBMISA-N 326.223 4.309 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 100734345 NAORKALMWGJFTQ-WVATUKLVSA-N 348.229 4.251 0 40 EIAB Cc1cc(NC(=O)c2ncc(-c3ccccc3)o2)n(-c2ccccc2)n1 206585827 RLMVOYXNUQPCPE-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219317206 BGIBGKYWZGGYDF-FXAWDEMLSA-N 341.451 4.045 0 40 EIAB CCSc1ccccc1C(=O)N[C@H](C)COc1ccc(C)cc1 219649369 GSJMQGYQNOBGOM-OAHLLOKOSA-N 329.465 4.304 0 40 EIAB Cc1ccc(CCCNC(=O)CSCc2ccccc2F)cc1 222707041 CNWRYGVOAVQXJA-UHFFFAOYSA-N 331.456 4.116 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2cccc(Cl)c2)c1 224984623 CMYZLTZYOLHWAZ-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB CCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(F)cc1 225777928 IQSPMIWUJVDIPH-UHFFFAOYSA-N 341.411 4.467 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2F)cc1C 225789707 HWMHKROHQLLQEE-CQSZACIVSA-N 332.444 4.196 0 40 EIAB CSc1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 225794463 FTJWSGXTJRCMPR-UHFFFAOYSA-N 349.459 4.350 0 40 EIAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260739816 PRBDUQKKSACSEO-MRXNPFEDSA-N 339.508 4.123 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSC2CCCCC2)c1 408680928 UAYHTDXVOCXNAM-MRXNPFEDSA-N 335.513 4.253 0 40 EIAB Cc1cc(C)n([C@@H](CNC(=O)Nc2cccs2)c2cccs2)n1 575611490 VPDQQRXXVFKZMP-ZDUSSCGKSA-N 346.481 4.034 0 40 EIAB CC(C)(C)n1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2 189397 RPJMLRBTZUACAU-MDZDMXLPSA-N 327.453 4.037 0 40 EIAB COc1ccccc1[C@@H](C(=O)c1ccccc1)[C@@H]1CN2CCC1CC2 523464 MQNXBEOUQSAJES-TZIWHRDSSA-N 335.447 4.004 0 40 EIAB O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1Cl 3187858 UZAPFSQSPLZCGO-SOFGYWHQSA-N 326.577 4.347 0 40 EIAB CCc1ccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 3647925 IZFDEJVCMOCMBD-INIZCTEOSA-N 326.421 4.195 0 40 EIAB CCOc1ccc(CC(=O)Nc2ccc(C)c(C)c2)cc1OCC 4657065 DIZQBCCCSICOOH-UHFFFAOYSA-N 327.424 4.282 0 40 EIAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1 4682333 AXMAWJRXBAPDLT-UHFFFAOYSA-N 342.464 4.219 0 40 EIAB Cc1ccc(-n2nnnc2S[C@H](C)c2ccc(F)cc2)cc1C 5171417 NLWMZSBQINXXFT-CYBMUJFWSA-N 328.416 4.272 0 40 EIAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 6355908 YSBWPYOHMLOJIM-ZIFCJYIRSA-N 327.468 4.291 0 40 EIAB Cc1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1Cl 6585210 KVQYZLNFQRQBDI-UHFFFAOYSA-N 342.830 4.128 0 40 EIAB COC(=O)c1cc(C)sc1NC(=S)NCCC1=CCCCC1 6825597 RGWMJBBAUXMFDQ-UHFFFAOYSA-N 338.498 4.020 0 40 EIAB OC1(c2nnc(-c3ccccc3)o2)c2ccccc2-c2ccccc21 6890401 LCHBUAACQGQVDL-UHFFFAOYSA-N 326.355 4.001 0 40 EIAB Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1C1CC1 7235160 UFGFFICUKRKZPC-GOSISDBHSA-N 349.459 4.409 0 40 EIAB CCCCCCNCc1cc(Br)c(OC)c(OC)c1 7260954 MHUHUDMWRUTMGB-UHFFFAOYSA-N 330.266 4.136 0 40 EIAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c(C)c1 7382250 BKJOZWSNCPBIKN-UHFFFAOYSA-N 327.472 4.344 0 40 EIAB CC(C)n1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7425141 AOUNFLFFRIDJPB-CQSZACIVSA-N 337.398 4.277 0 40 EIAB Cc1nc2ccc(Br)cc2c(O)c1CN1CCCC[C@@H]1C 8714082 QRMPNUKJYQKALC-NSHDSACASA-N 349.272 4.386 0 40 EIAB C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 9998296 QOPIJKJLPYDPGO-JTQLQIEISA-N 334.769 4.172 0 40 EIAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3OC(F)F)sc2C1 12798110 YAROZQGSZKUGGR-SECBINFHSA-N 338.379 4.122 0 40 EIAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccc2ccccc2c1 13592512 DTAYMUBEUZRNPZ-UHFFFAOYSA-N 341.414 4.202 0 40 EIAB Cc1cccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)n1 13721755 AEFJSNJZDOKLPG-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc21 14084729 WBZWUHHYQOPFMC-LLVKDONJSA-N 349.415 4.118 0 40 EIAB Cc1cccc(-n2c3c(c(SCc4ccccc4)nc2=O)CCC3)c1 15840545 DUYLNDWBMCZOEL-UHFFFAOYSA-N 348.471 4.322 0 40 EIAB COC[C@@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 20242083 GYIQXFXJQDUZSQ-RFRKOGIWSA-N 329.827 4.032 0 40 EIAB CC1=CC(C)(C)Nc2c(C(=O)N3CCc4ccccc4C3)cccc21 20800299 FXQOTPYPLWSHTO-UHFFFAOYSA-N 332.447 4.493 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCCCCC2)cc1 27584415 FPPACSBUKSPXAP-SFHVURJKSA-N 342.508 4.404 0 40 EIAB CCc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 28683280 FCKXQODIVGAFGO-AWEZNQCLSA-N 343.496 4.190 0 40 EIAB CN1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 30029040 FPKIEXRTBQQQMG-QGZVFWFLSA-N 349.261 4.122 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 31133656 HDIWHJQGTUXHPT-MNOVXSKESA-N 339.844 4.055 0 40 EIAB CSc1ncccc1C(=O)Nc1nc(C)c(-c2ccccc2)s1 31968333 NJTOESCWINWRRQ-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB CC(C)(C)CC(=O)NCCCCCc1nc(-c2cccs2)no1 32772735 BAYNOKVROLTMKD-UHFFFAOYSA-N 335.473 4.063 0 40 EIAB C[C@H](NC(=O)c1ccc(Br)o1)c1ccc(Cl)s1 32817627 PYAXYHGPYGMSIK-LURJTMIESA-N 334.622 4.248 0 40 EIAB Cc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCCC2)cc1 35622750 HKDALABGOBUKKA-UHFFFAOYSA-N 333.439 4.161 0 40 EIAB Cc1ccc(C)c([C@@H](O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 36743853 VOFQAAUHBRLSNS-UWJYYQICSA-N 349.478 4.093 0 40 EIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 38833863 ZZIAWXGLGIMGIH-MRXNPFEDSA-N 328.843 4.191 0 40 EIAB CC(C)Sc1ncccc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 40153942 FSOITENOCNFTCT-UHFFFAOYSA-N 338.436 4.225 0 40 EIAB O=C(/C=C/c1ccccn1)Nc1nc2c(ccc3ccccc32)s1 47517927 YPHYMCAROHMZPA-PKNBQFBNSA-N 331.400 4.496 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ccccc2)CC1 49706056 GJLIOHQXRDIXDK-UHFFFAOYSA-N 330.815 4.415 0 40 EIAB C(=C/c1ccccc1)\CSc1nncn1CCc1cccs1 58474112 OLBJMWVJPJLFOS-XBXARRHUSA-N 327.478 4.388 0 40 EIAB C[C@@H](C(=O)Nc1ccc2ccn(CCN(C)C)c2c1)c1cccs1 73102740 FRWQHDXMCJSSAY-CQSZACIVSA-N 341.480 4.007 0 40 EIAB CN(C)c1ccccc1CNCc1ccc(OCc2ccncc2)cc1 76020655 SOYCJLSRAFEXOS-UHFFFAOYSA-N 347.462 4.016 0 40 EIAB CCOc1ccc(-c2nc(-c3ccccc3F)n[nH]2)cc1OCC 85385135 IFVSIWRPOXBUMN-UHFFFAOYSA-N 327.359 4.075 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1N1CCCCCC1 89856664 ZDRDTQNEYJZEQK-UHFFFAOYSA-N 327.432 4.051 0 40 EIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1cc(Cl)ccc1Br 95096011 IOPFJYLAUPGQMV-XCBNKYQSSA-N 345.542 4.121 0 40 EIAB COc1ccc(Cl)cc1[C@H](C)N[C@@H](CCO)c1cccs1 95423030 NCBVCTKAWAGWEQ-FZMZJTMJSA-N 325.861 4.184 0 40 EIAB CCOCc1ccccc1NC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 95965228 WPEZBRZRLONFAI-JKSUJKDBSA-N 336.501 4.361 0 40 EIAB Cc1ccccc1[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 95967946 PGRAQIQGWPHNQE-QRWLVFNGSA-N 343.492 4.200 0 40 EIAB c1csc(CN2CCC3(CCN(Cc4ccsc4)CC3)C2)c1 96046525 XRJLAKGITVAECC-UHFFFAOYSA-N 332.538 4.298 0 40 EIAB Cc1cccc(OC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 96119549 HCOKSROFCMVOOL-UHFFFAOYSA-N 345.830 4.119 0 40 EIAB CC(C)[C@H](NC(=O)N1CCC2(CCCC2)CC1)c1nc(C2CC2)no1 96416074 FTGBQTJGZPDAAG-HNNXBMFYSA-N 346.475 4.010 0 40 EIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 97022858 LLPUDYGWRZJCLD-SJCJKPOMSA-N 329.419 4.023 0 40 EIAB CC(C)c1noc([C@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)n1 192753565 DKSRRGLLRSZUNQ-YQQAZPJKSA-N 329.444 4.012 0 40 EIAB Cc1ccc(C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(C)cc2N)cc1 216867527 XUTXVSFZQBFEAI-OAHLLOKOSA-N 337.467 4.374 0 40 EIAB Cc1cccc(CCCNC(=O)COc2cc(C)cc(C)c2C)c1 218968047 UPAFMSCVTOZNIG-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 222762569 NEVDWKZUBDPGHY-SFHVURJKSA-N 339.435 4.101 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1 223614973 AENSXVUQHUOPSR-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)c(C)c1 223719719 RVUJVLBVUURZEH-UHFFFAOYSA-N 345.508 4.388 0 40 EIAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 224692816 BEDCKOLLFDQSSY-UHFFFAOYSA-N 343.370 4.229 0 40 EIAB Cc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 225653208 ZYLQOPIQGSSREH-UHFFFAOYSA-N 349.434 4.242 0 40 EIAB Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)C2)[nH]n1 282423751 LZXHLTPAEIUWKL-DZGCQCFKSA-N 346.500 4.047 0 40 EIAB O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1cccc(O)n1 548962579 SELBIIIQFHTMQB-QGZVFWFLSA-N 330.815 4.102 0 40 EIAB CCN(C1CCCC1)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615190271 FSKVDLVRRNMWFD-OAQYLSRUSA-N 342.527 4.469 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1ccc(-c2ccccc2F)nn1 1627576348 HCHWDFXUDCZPCB-UHFFFAOYSA-N 341.773 4.117 0 40 EIAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccs1 161690 HTYSIVXUYGCOBD-UHFFFAOYSA-N 338.219 4.493 0 40 EIAB Cc1cc(C)cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 385320 JKWBSWGWKSSJQR-UHFFFAOYSA-N 338.411 4.200 0 40 EIAB Cc1ccc2cc3c(N)c(C(=O)Nc4nccs4)sc3nc2c1 422312 TZFNLDDMDSGXCQ-UHFFFAOYSA-N 340.433 4.049 0 40 EIAB CC(C)(C)c1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 533269 AOUHCDJRIWJMAU-UHFFFAOYSA-N 335.436 4.212 0 40 EIAB COc1cccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1OC 817735 OTZOQLUVKFGUJL-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2cccc(C)c2C)c(OCC(C)C)n1 1403197 ITRXIGPWHINCMS-UHFFFAOYSA-N 347.480 4.183 0 40 EIAB CC(=O)Nc1ccc(/C=C(\C(=O)O)c2cccc3ccccc23)cc1 1730821 DOELWIXBSNQLAH-MOSHPQCFSA-N 331.371 4.423 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 2660084 SBAUBSCYMAOJKH-UHFFFAOYSA-N 341.741 4.267 0 40 EIAB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F 3356315 PQORYTRBVCGMRB-QMMMGPOBSA-N 328.721 4.196 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](N)(=O)c1ccc(N(C)C)cc1 4063959 OOJHUUWPPUDIFV-MCFCVNBYSA-N 338.432 4.007 0 40 EIAB CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 4105275 LSHDZDBLOAGRBW-UHFFFAOYSA-N 329.425 4.187 0 40 EIAB aggregator O=C(c1ccccc1)[C@H]1OC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 4769304 SGVOKFURKTYPGV-VWPQPMDRSA-N 342.394 4.362 0 40 EIAB Cc1cccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)c1 5271771 CELUCHUWRWVJOY-UHFFFAOYSA-N 334.419 4.108 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1cc2ccccc2oc1=O 5777190 PCPXLFAZANYPTH-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccccc2SCC)c1 6844393 WDTWBSYLDWOELM-UHFFFAOYSA-N 329.421 4.228 0 40 EIAB Cn1c(Cc2nc(-c3ccc4c(c3)OCO4)cs2)nc2ccccc21 7119335 CQYKUGOPCKZDHK-UHFFFAOYSA-N 349.415 4.016 0 40 EIAB COc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1 7368300 SWUJKQQENZRGQD-UHFFFAOYSA-N 332.494 4.082 0 40 EIAB COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)c1 8434721 FTZRDHATONXTNQ-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB CSc1ccccc1C(=O)NCc1coc(-c2cccs2)n1 10871677 YUAOYTLKGBTOHG-UHFFFAOYSA-N 330.434 4.055 0 40 EIAB O=C(Nc1ccc(F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 11009371 WQLNSKMBNCDAJT-UHFFFAOYSA-N 339.326 4.315 0 40 EIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C/C=C/c1ccccc1 12539631 CIIVHRJYVVCPRD-AKERNLMBSA-N 345.446 4.433 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1F 12677166 XASDZBQTQPURDC-KUHUBIRLSA-N 326.415 4.202 0 40 EIAB COc1ccc(C)cc1NC(=O)c1nc(-c2ccco2)sc1C 12870152 JBQRBUANWYTYBM-UHFFFAOYSA-N 328.393 4.281 0 40 EIAB c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13479803 CJZKZPCDYJENAU-VQIMIIECSA-N 333.416 4.385 0 40 EIAB Cn1cc(C(=O)OCc2coc(-c3cccs3)n2)c2ccccc21 17206649 JBNMWEVTIDWPDZ-UHFFFAOYSA-N 338.388 4.252 0 40 EIAB Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 18195811 PFFZDXQYYPHCKW-UHFFFAOYSA-N 349.839 4.219 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2CC2CCCCC2)on1 19120879 XTZVRHSCAKOCRD-KRWDZBQOSA-N 328.460 4.480 0 40 EIAB O=C(NCc1ccncc1)c1ccc(CSc2ccccc2)cc1 20238840 ONZHDRNNUSHVBH-UHFFFAOYSA-N 334.444 4.304 0 40 EIAB Clc1ccc([C@H](Cc2ccccc2)N[C@H]2CN3CCC2CC3)cc1 20358204 MQPKSHNJHJHMPA-SFTDATJTSA-N 340.898 4.308 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H]1CCN1CCCCC1 21170386 LOYPXMYWNUQWTF-SFHVURJKSA-N 334.891 4.211 0 40 EIAB CCc1ccccc1NC(=O)CNc1ccc(OC(F)(F)F)cc1 23901265 RNQXXONBAFRIIK-UHFFFAOYSA-N 338.329 4.198 0 40 EIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)Nc1ccc(F)cc1F 28220162 ZIRJKMCTOFJFLQ-UHFFFAOYSA-N 348.740 4.448 0 40 EIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(F)ccc1F 31455170 PZIRTORRXSRTCY-UHFFFAOYSA-N 340.329 4.191 0 40 EIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCC1CCCCC1 32648666 ZPXKUCMLDRFNSC-UHFFFAOYSA-N 346.471 4.492 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2ccc(F)cc2)C1 40266259 IABAWGKCWMVDRW-HNNXBMFYSA-N 343.308 4.413 0 40 EIAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 43728975 GOUZSJCVAMXNNZ-UHFFFAOYSA-N 338.190 4.293 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCc2cc(Br)ccc21 49303668 ZZEUKABHSHRVKM-UHFFFAOYSA-N 336.616 4.305 0 40 EIAB COc1cccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)n[nH]2)c1 57412793 WSJNEEXYHFJNPE-UHFFFAOYSA-N 335.407 4.461 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)n[nH]2)cc1 57477263 LBWGYOBXWKAKTP-UHFFFAOYSA-N 343.789 4.108 0 40 EIAB O=C(Nc1ccncc1)N1CCc2sccc2[C@H]1c1cccs1 58166135 XOGSGPOCFYFMIC-INIZCTEOSA-N 341.461 4.384 0 40 EIAB Cc1cccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 58315486 RYJWKIZCOUXNCC-UHFFFAOYSA-N 339.370 4.153 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1C(F)(F)F 60291267 RAHPTGQQZHHPRM-UHFFFAOYSA-N 347.340 4.461 0 40 EIAB Cc1nc(N2CCc3ccccc32)ccc1CNC(=O)OC(C)(C)C 72224982 NOGAMPXIFZXTKW-UHFFFAOYSA-N 339.439 4.109 0 40 EIAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(Cl)cc1 72228970 KNCVGXONIMFYTI-UHFFFAOYSA-N 340.814 4.044 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C 89914107 LZVFXEKVYBHOGS-OCCSQVGLSA-N 326.362 4.387 0 40 EIAB CCOC(=O)N1CCc2cc(NC(=O)[C@@H](C)c3ccsc3)ccc21 95399341 KWPXPKHXFBEUCA-LBPRGKRZSA-N 344.436 4.009 0 40 EIAB Fc1ccc([C@H](NCc2noc(C3CC3)n2)c2cccs2)cc1 95409858 KIRZXWGJFIKAFU-INIZCTEOSA-N 329.400 4.027 0 40 EIAB CC(C)c1nc(C[S@@](=O)c2ncc(C(C)(C)C)s2)cs1 95413813 XZTATZKPUCUHDO-FQEVSTJZSA-N 328.528 4.328 0 40 EIAB COCc1cc(CN[C@@H](C)c2cnc3ccsc3c2)ccc1F 95422711 RWTYSHSATHZHCD-LBPRGKRZSA-N 330.428 4.433 0 40 EIAB Fc1cccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 96024376 UIELZDAMONMNNS-UHFFFAOYSA-N 343.427 4.317 0 40 EIAB CS[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 96411734 XAPCLFDEDXQCHI-IAQYHMDHSA-N 349.887 4.145 0 40 EIAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCC2)c(C)c1 102988686 OZIXVBVGNNNRFO-FVCZOJIISA-N 333.431 4.095 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1C 219307164 ZBDBNBRALTYTHJ-UZLBHIALSA-N 341.451 4.347 0 40 EIAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc(OC)cc1 219742872 DDZSRWQMKGWXHP-SFHVURJKSA-N 327.424 4.364 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)CCc2ccc(C)c(C)c2)c1 224046320 QQEKMSVVUDKJAQ-UHFFFAOYSA-N 325.452 4.048 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2C)c1 224605827 PSTREAGWHJKTJA-UHFFFAOYSA-N 341.451 4.339 0 40 EIAB C[C@H](NC(=O)c1cc2cccc(Cl)c2oc1=O)c1ccc(F)cc1 226041013 NCHSHFJXCPGCCQ-JTQLQIEISA-N 345.757 4.077 0 40 EIAB COc1ccc(OC)c(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 228951847 PKNAREAFHOSCOR-UHFFFAOYSA-N 344.411 4.480 0 40 EIAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 302950626 MNZOJRZUKHOWCS-UHFFFAOYSA-N 330.472 4.008 0 40 EIAB COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 408527486 OIXXARRPCAWYCT-LUAWRHEFSA-N 347.754 4.205 0 40 EIAB CC(C)[C@H]1N(C(=O)c2cc3sccc3s2)CC12CCOCC2 516417256 UWTPNPHRMBGRQL-OAHLLOKOSA-N 335.494 4.240 0 40 EIAB CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 585100669 SEHFUANSXMCKPL-WIYYLYMNSA-N 328.500 4.141 0 40 EIAB O=C(N1CCC[C@H](c2c[nH]c3ncccc23)C1)C1(C(F)F)CCCC1 606445292 WPBWAPPCBMIYQQ-ZDUSSCGKSA-N 347.409 4.094 0 40 EIAB CCc1onc(C)c1NC(=O)NC1(c2c(F)cccc2F)CCC1 626462849 PPESAAOKFIYITI-UHFFFAOYSA-N 335.354 4.025 0 40 EIAB CC(C)(C)[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)c2ccccc21 630064671 SRUYZVBFMRDXIK-GOSISDBHSA-N 343.492 4.240 0 40 EIAB CC1(C)C[C@@]1(NC(=O)Nc1cccc2c1COCC2)c1ccccc1 952994892 YMJRVSWBWOIBCR-OAQYLSRUSA-N 336.435 4.206 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1ccccc1Br 149725 XZQVTDUNKSBXNI-ZHACJKMWSA-N 332.197 4.110 0 40 EIAB CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl 385025 MGWYMWNIFOQFNG-UHFFFAOYSA-N 327.815 4.432 0 40 EIAB Cc1ccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn23)cc1 385047 JCTKILZAVAZJTI-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB CSc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 565689 OMAVCDVBFOGLHH-HNNXBMFYSA-N 330.478 4.203 0 40 EIAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccs3)o2)c1 2653875 SOFXMUJBLGUEJL-UHFFFAOYSA-N 330.434 4.390 0 40 EIAB COc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 2790508 BCXLJCKVTCSEAX-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Br)cc1 3233391 RPLPPUADJVJGKL-RYUDHWBXSA-N 342.302 4.331 0 40 EIAB O=C(CSc1ncccn1)Nc1c(Cl)cc(Cl)cc1Cl 3253714 PNTDSVURKMPTHJ-UHFFFAOYSA-N 348.642 4.168 0 40 EIAB N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 3899314 DAGAGBZRNRKMGJ-WUXMJOGZSA-N 339.203 4.392 0 40 EIAB O=C(CCc1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138257 DDIZAFAAFGVHFA-UHFFFAOYSA-N 332.447 4.296 0 40 EIAB CCSc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)cc1 4585871 QYWJYVJHWQPBPD-UHFFFAOYSA-N 348.493 4.089 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2ccccc2SC)cc1C 5222447 GXVGAUZBPJCXMN-UHFFFAOYSA-N 335.450 4.207 0 40 EIAB Cc1cc(-c2ccccc2)nc(S[C@H](C(=O)O)c2ccccc2)n1 5256977 UFEIWPLHGOHKFM-KRWDZBQOSA-N 336.416 4.370 0 40 EIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1C 5269199 LAUJPKOEWVYWOA-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB CCOc1ccccc1OCCC(=O)N[C@@H]1CCCc2ccccc21 6618593 WECGDVMVAOCRFP-GOSISDBHSA-N 339.435 4.048 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 7641481 BUTGUHAJQXQXOF-UHFFFAOYSA-N 328.393 4.281 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)ccc1OC 7652558 WROOUXDMIWTFKG-CSKARUKUSA-N 331.799 4.399 0 40 EIAB O=C(CNc1cccc2ccccc12)Nc1ccc(N2CCCC2)cc1 8192418 RRFBGLWBMYXFDN-UHFFFAOYSA-N 345.446 4.491 0 40 EIAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)c1ccccc1 8435934 VFMHUIPXUAFMIC-UHFFFAOYSA-N 327.434 4.222 0 40 EIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccccc3)n2)cc1 8484159 POANNCZJNVMSGA-ZDUSSCGKSA-N 337.448 4.398 0 40 EIAB O=C(O)c1cccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)c1 8580052 GHTGNYOWLDGOGS-IBGZPJMESA-N 331.371 4.421 0 40 EIAB CC(C)(C)c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 8706358 LDCUPSZVFSWFAJ-UHFFFAOYSA-N 327.240 4.457 0 40 EIAB COc1ccc(C)cc1NCC(=O)N[C@@H](C)c1ccc2ccccc2c1 8706728 LTKGKUBJPNGITJ-INIZCTEOSA-N 348.446 4.446 0 40 EIAB Cc1ccc(OCc2nc(C(=O)Nc3ncc(C)s3)cs2)cc1 9113692 FNKRLRDYVQEUQJ-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(Cl)cc2)c1 10542295 CQAMROFWHQNMEK-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB CCCc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11266337 XYVXLKTXWJDANW-IBGZPJMESA-N 326.415 4.210 0 40 EIAB Cc1cc(C(F)(F)F)nc2nc(NC(=O)C3CCCCC3)ccc12 12113582 NXHCNMMRKPWODP-UHFFFAOYSA-N 337.345 4.476 0 40 EIAB CCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cs1 12441679 DIWJJIJDXYUZNV-UHFFFAOYSA-N 326.425 4.043 0 40 EIAB Cc1csc(N(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc2)n1 12762422 LBUCLMFXFCZERI-QGZVFWFLSA-N 336.416 4.120 0 40 EIAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccccc2)n1C 14085634 VWDFZLPTMYKZAO-CQSZACIVSA-N 337.448 4.154 0 40 EIAB CCCOc1ccccc1C(=O)Nc1cccc(Br)c1 14553028 LNJSLEAAWFSQGF-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)cc(OC)c1 16705951 QIUDBTJDOZTDLO-YSRFEFRKSA-N 327.380 4.072 0 40 EIAB CCCCOc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 16780614 AIHCRJSMPJNOKV-UHFFFAOYSA-N 337.416 4.114 0 40 EIAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCC1CCCCC1 16850236 LERHFTGGWCYEBV-UHFFFAOYSA-N 347.459 4.265 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1cccs1 17909507 UDBXHOHEVBXXLO-SNVBAGLBSA-N 344.263 4.181 0 40 EIAB Cc1cc(OCC(=O)Nc2ncccc2C)c(C(C)C)cc1Cl 18231227 QQRZJQQNAIHBHN-UHFFFAOYSA-N 332.831 4.493 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)C(C)C)cc1 19310787 SDDJWEPKPFNTFD-DZGCQCFKSA-N 330.255 4.092 0 40 EIAB CCc1onc(C)c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 19521172 KUPQXWUYWRMEHG-NSHDSACASA-N 347.484 4.405 0 40 EIAB CCCc1cc([C@@H]2CCCCCN2Cc2cnn(CC)c2C)no1 19525423 XUTRYRAYLANSDR-IBGZPJMESA-N 330.476 4.269 0 40 EIAB COc1ccc(CN[C@H](Cc2cccs2)c2nccs2)c(F)c1 19551793 MCACWKFKRPQDFE-MRXNPFEDSA-N 348.468 4.426 0 40 EIAB Cn1c(=N)n(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 19855193 LLKFOUBQMFACAT-UHFFFAOYSA-N 341.414 4.009 0 40 EIAB C[C@@H](NC(=O)N1CCc2sccc2C1)c1ccc2c(c1)CCCC2 22395906 XATJHJIQRJHEND-CQSZACIVSA-N 340.492 4.456 0 40 EIAB CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 23154272 ITWUFOOHZOTECL-IBGZPJMESA-N 349.478 4.282 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1 23818806 ROJHDQNITXTYCH-CQSZACIVSA-N 335.403 4.348 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(OCc2ccncc2)cc1 24442452 CBIRSHJQTCYOGS-INIZCTEOSA-N 344.414 4.252 0 40 EIAB Cc1ccccc1NC(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28220229 GNJLGRHCSOIPDT-UHFFFAOYSA-N 326.787 4.478 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H]2c2cc(C)on2)c1 29234500 ANQLPBCGGGDNJY-SFHVURJKSA-N 342.439 4.157 0 40 EIAB Nc1cc(-c2cccc(Br)c2)nn1CC1CCCCC1 32265642 RQYOYLRYEDQVPK-UHFFFAOYSA-N 334.261 4.475 0 40 EIAB CN(C)c1ncnc2cc(-c3ccc(Br)cc3)sc12 32806207 YGFDPIWYDCHTDY-UHFFFAOYSA-N 334.242 4.187 0 40 EIAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38833224 WXSHICATMWZEPL-KRWDZBQOSA-N 342.870 4.499 0 40 EIAB CC(C)c1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1 48344715 HXJJNBYXHCVSIY-UHFFFAOYSA-N 336.435 4.029 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3ccc(NC4CC4)nc3)c2)oc1C 57235672 PURCBFMMSBNVBI-UHFFFAOYSA-N 348.406 4.180 0 40 EIAB O=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H]1Cc1ccccc1 58314203 XTRYKSZSIKGCSK-MRXNPFEDSA-N 349.459 4.052 0 40 EIAB O=C(NCCSc1ccccc1)c1c2c(nc3ccccc13)CCC2 58381649 LNIBLHQWHZQDHJ-UHFFFAOYSA-N 348.471 4.246 0 40 EIAB CCC[C@H](NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1 69415496 SIHWUXGWVOSSJM-HNNXBMFYSA-N 329.362 4.089 0 40 EIAB CCC(=O)Nc1ccc([C@H](C)NCc2cc(F)c(F)c(F)c2)cc1 71794744 DAALYVVBYUATEC-NSHDSACASA-N 336.357 4.303 0 40 EIAB O=S(=O)(Nc1cccc2nc[nH]c12)c1ccccc1-c1ccccc1 72301877 YQMDKCHFFXPVSI-UHFFFAOYSA-N 349.415 4.031 0 40 EIAB Cc1ccc(F)cc1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 72314274 OVRDQWRQOLDCPZ-LJQANCHMSA-N 342.414 4.038 0 40 EIAB Cc1cc(C)n(-c2cccc(C(=O)Nc3cc(F)c(F)c(F)c3)c2)n1 72406423 VYVYWLSREWEFIN-UHFFFAOYSA-N 345.324 4.159 0 40 EIAB Cc1cnc([C@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)s1 80445389 DEORYTORXRXCDM-OAHLLOKOSA-N 345.443 4.030 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)CC(C)(C)CC(=O)O)cc2)nc1 84191685 KLYLXKYGIPDLHR-UHFFFAOYSA-N 342.395 4.012 0 40 EIAB CN(C(=O)c1sccc1Br)c1cccc2ncccc12 89844265 BMDVAQXRNKCOFY-UHFFFAOYSA-N 347.237 4.335 0 40 EIAB COC(=O)c1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 95347561 KPXFWUYONUIQPU-UHFFFAOYSA-N 346.430 4.244 0 40 EIAB in-vitro Cc1ccc([C@@H](C)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 95422337 NHIVIVCLAUCJOW-QGZVFWFLSA-N 341.499 4.163 0 40 EIAB COc1cc([C@@H](C)N[C@H](C)Cc2c(C)noc2C)ccc1SC 95422813 LDNHWBJJLJCOLE-VXGBXAGGSA-N 334.485 4.304 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2OCC2CC2)c1 95422964 ZQAHOVCCPMXRTF-OAHLLOKOSA-N 338.451 4.285 0 40 EIAB COCc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(C)o1 96434005 CVBBEWWYLBYDTM-MRXNPFEDSA-N 346.452 4.056 0 40 EIAB CCc1ccc([C@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)o1 96476874 NIYFJZWBRSHKDC-HNNXBMFYSA-N 349.434 4.340 0 40 EIAB CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 102663449 KFEYCAWZKFNMCH-OAHLLOKOSA-N 344.415 4.201 0 40 EIAB CC(C)C(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 107058478 FNWJCNKFBWSMCV-AHIWAGSCSA-N 340.870 4.023 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 113956335 LYDYGWVNLLNROL-GOSISDBHSA-N 347.842 4.213 0 40 EIAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 216898571 QXBOCOSJPUMOPX-CSKARUKUSA-N 332.783 4.114 0 40 EIAB CC(C)n1c(Cl)nc2cc(C(=O)NCCc3ccccc3)ccc21 222542968 PDLPGPUAXWGFHP-UHFFFAOYSA-N 341.842 4.243 0 40 EIAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222956843 YHWWTHFNUDIYFS-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB CCOc1cccc(NC(=S)NCCCc2ccc(F)cc2)c1 225547860 AEOHUYSDNIBJCR-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB CC(C)(C)NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225830672 PNSVMVXSYJRIEZ-UHFFFAOYSA-N 349.434 4.251 0 40 EIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225884724 JHEBPCCQZWOXKU-HXUWFJFHSA-N 344.455 4.413 0 40 EIAB Cc1cccc(N2CCN(C(=O)c3cc4cccc(C)c4o3)CC2)c1C 226044474 JUVWTHQVAPKAFG-UHFFFAOYSA-N 348.446 4.320 0 40 EIAB CNc1nc(-c2ccc(OC)c(NC(=O)C3CCCCC3)c2)cs1 226098298 ZUDMBSKKYMGODH-UHFFFAOYSA-N 345.468 4.379 0 40 EIAB CCC[n+]1cccc(-c2nc3ccc(Br)cc3s2)c1 226776747 SXRCPCOOMHNWNY-UHFFFAOYSA-N 334.262 4.423 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](Cc2cccc(-c3nccs3)n2)C1 257273659 NHPZUGNUWMRVQK-CYBMUJFWSA-N 345.468 4.005 0 40 EIAB O=C(c1ccc2c(c1)COC2)N1CC2(CCCC2)c2c(F)cccc21 500154472 STOHYBDGCPVXBF-UHFFFAOYSA-N 337.394 4.328 0 40 EIAB C[C@H]1CC(NC(=O)NCCc2ccccc2C(F)(F)F)C[C@H](C)C1 1563771437 VOCGVKGRLYFWRR-CHWSQXEVSA-N 342.405 4.372 0 40 EIAB O=C(c1cc(Br)cs1)N1CCC(=C2CCC2)CC1 1775986154 XVOWEFULYDHIAZ-UHFFFAOYSA-N 326.259 4.227 0 40 EIAB CCN(CC)CCOc1ccc(C(=O)CCc2ccccc2)cc1 1292 KMICWMXRUOETFR-UHFFFAOYSA-N 325.452 4.223 0 40 EIAB in-man COc1ccccc1-c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1 502620 POHASHOTFWRJLH-LGMDPLHJSA-N 345.354 4.300 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1452411 BXVUTGCEVGEGDD-HNNXBMFYSA-N 338.451 4.050 0 40 EIAB COC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)OC 1719575 NJGYBIRDVDKFQK-UHFFFAOYSA-N 339.174 4.234 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)c(C)c1)C3 2123572 PPPHUHDJCVWKCL-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic Cc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 2715834 DWYQGKIERLUDBA-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB Cc1ccc(NC(=S)NC2=NN(c3ccccc3)CC2)cc1Cl 3326578 AABLSGYVDOFHBH-UHFFFAOYSA-N 344.871 4.159 0 40 EIAB O=C(O)Cc1sc(NCc2ccco2)nc1-c1ccc(Cl)cc1 3357675 UVPKKNVOCCGYGV-UHFFFAOYSA-N 348.811 4.296 0 40 EIAB COc1cc(NC(=O)CCOc2cccc(C)c2)c(OC)cc1Cl 3486588 LSAAWRDISUCZRY-UHFFFAOYSA-N 349.814 4.073 0 40 EIAB CO[C@@](F)(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F 4141913 UBUXXUMYLQEXBP-HNNXBMFYSA-N 343.276 4.292 0 40 EIAB CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)OC)cc2oc1=O 4151894 WNTZREHBSYHJTF-CQSZACIVSA-N 346.423 4.165 0 40 EIAB COc1cccc2sc(NC(=O)c3ccccc3SC)nc12 4517368 GHFYHKSVHLBYAX-UHFFFAOYSA-N 330.434 4.279 0 40 EIAB CC[C@H](C(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 4685282 UBXDHLLNNQNDLQ-INIZCTEOSA-N 337.448 4.261 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccccc1Cl 4910004 BRDXIVWZFHHGTD-QGZVFWFLSA-N 341.798 4.278 0 40 EIAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 5146283 WJHIDONDDWBDOD-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB CC[C@](C)(CCNC(=O)Cc1ccccc1)c1ccccc1OC 5321417 BDEPNTOISKCLSM-OAQYLSRUSA-N 325.452 4.112 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc3ccccc3n2)c1C 5626766 BDUPJOLFBUDSFL-UHFFFAOYSA-N 338.432 4.357 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 6336853 IDVPVNPVSQSIRO-UHSVVUDUSA-N 333.859 4.192 0 40 EIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)CCC2 6654113 KWIJUHVZODMNCB-UHFFFAOYSA-N 331.847 4.242 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)COCc1nc2ccccc2s1 6789095 PPKXLISGVOICAL-UHFFFAOYSA-N 346.839 4.413 0 40 EIAB CCc1ccc2c(CC(=O)N[C@H]3CCOc4ccccc43)coc2c1 7216770 XAAKPTCWZBUISU-SFHVURJKSA-N 335.403 4.178 0 40 EIAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1 7603919 UZAIZRXLNZTLLD-UHFFFAOYSA-N 327.163 4.279 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1ncnc2ccccc12 8189372 LWDQCHJUZSWSSA-UONOGXRCSA-N 349.459 4.088 0 40 EIAB O=C(NCc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1 8306567 UFOFGJDVUYKUSM-UHFFFAOYSA-N 342.483 4.402 0 40 EIAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)nn1C 9001786 DRZHKBXQGUKEBV-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(=O)c2ccccc2o1 9448360 NYSNTOKGUUMEEB-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3C)s2)cs1 10105326 QEAIBAHERYRTNP-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB COc1ccc(-c2csc(NC(=O)/C=C\c3ccccc3)n2)cc1 11612132 JYAFJHGYZPRTEA-GHXNOFRVSA-N 336.416 4.471 0 40 EIAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 12119139 USIPUYJQPLLCOB-MRXNPFEDSA-N 342.826 4.085 0 40 EIAB O=C(O)CC1(CC(=O)Nc2cccc3c(O)cccc23)CCCCC1 12772188 DJGARGZUUSPTKP-UHFFFAOYSA-N 341.407 4.299 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2ccccc2SC)c(C)n1 12861384 OSXAHPLOQMROFS-UHFFFAOYSA-N 347.509 4.109 0 40 EIAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1Cl 13284265 ZBRRZZZGVWNLRK-SECBINFHSA-N 349.818 4.475 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1C 20036215 KXMSMXPLZUDRPS-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c1 20490922 NGYJCESNRNKOTJ-SFHVURJKSA-N 327.424 4.498 0 40 EIAB COc1cc(F)ccc1NC(=O)CCC(=O)c1cc(C)sc1C 25311651 AHNHSGUFTOENAR-UHFFFAOYSA-N 335.400 4.114 0 40 EIAB CCc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 32916389 YCILHOVAIXMTRV-INIZCTEOSA-N 337.510 4.376 0 40 EIAB c1ccc(CN2CC[C@@H](Nc3ncnc4c3oc3ccccc34)C2)cc1 33010784 ORQCPTYXOKEATH-MRXNPFEDSA-N 344.418 4.062 0 40 EIAB O=c1c2ccccc2nc(SCc2ccncc2)n1-c1ccccc1 34320571 WVIORRIIXYVEIF-UHFFFAOYSA-N 345.427 4.073 0 40 EIAB CCOc1ccc(-c2nc(CSc3cccc[n+]3[O-])cs2)cc1 36633579 OMLUFSXNGYDPCR-UHFFFAOYSA-N 344.461 4.135 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 38753786 LJJPKTOMLALQJP-OAHLLOKOSA-N 337.778 4.284 0 40 EIAB COc1ccc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1OC 40088617 FSFGVNBLSLRHKA-HOTGVXAUSA-N 335.488 4.407 0 40 EIAB Cn1c(SCc2ccccc2Oc2cccnc2)nnc1C1CC1 50234945 OLHXSDNMYYVNIN-UHFFFAOYSA-N 338.436 4.172 0 40 EIAB Cc1csc(NC(=O)N[C@H](C)c2ccccc2C(F)(F)F)n1 56524914 OMYLYKFQOWFLLN-SECBINFHSA-N 329.347 4.353 0 40 EIAB Cc1ccc(OC2CCN(C(=O)Nc3ncccc3C)CC2)cc1C 58054320 REFYNKUOPOJMOJ-UHFFFAOYSA-N 339.439 4.082 0 40 EIAB O=C(Cc1coc(-c2ccccc2)n1)N(Cc1ccsc1)C1CC1 58282596 AGRHPAMWVZRJGL-UHFFFAOYSA-N 338.432 4.137 0 40 EIAB CN1CCCc2cc(NC(=O)c3csc(-c4ccco4)n3)ccc21 64845093 VGOWHNLNJIYIQL-UHFFFAOYSA-N 339.420 4.038 0 40 EIAB CC(C)Sc1ccccc1C(=O)NCCCN(C)c1ccccc1 69268229 WZZPJJFYHPWNOT-UHFFFAOYSA-N 342.508 4.443 0 40 EIAB Cc1ccc(CS(=O)(=O)Cc2nc(-c3ccccc3)oc2C)cc1 69420852 LDGDSYHKEWVWEU-UHFFFAOYSA-N 341.432 4.073 0 40 EIAB CC(=O)Nc1cc(NC(=O)N(C2CCCCC2)C2CC2)ccc1F 79104170 NNYUTUOGWNXZLD-UHFFFAOYSA-N 333.407 4.113 0 40 EIAB CC(C)(C)OC(=O)N[C@H]1CCCN(CC/C=C/c2ccccc2)C1 79438726 ONJHQVPXJCESND-NUCSPZLJSA-N 330.472 4.079 0 40 EIAB O=C(c1cccs1)c1ccc(CNC(=O)c2ccccc2F)s1 85474133 BFSLWLVQQGDELV-UHFFFAOYSA-N 345.420 4.110 0 40 EIAB FC(F)C(F)(F)C(F)(F)COc1cccc(Br)c1 95094063 WKIAQVJYBITMFM-UHFFFAOYSA-N 337.057 4.364 0 40 EIAB C[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cccs1 95421440 IMSZCBLTYWPKHJ-AWEZNQCLSA-N 337.448 4.246 0 40 EIAB C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O 95447007 AOEFYOVXEYHLLG-RXVVDRJESA-N 349.474 4.263 0 40 EIAB Cn1cc([C@H]2CCCN2c2cnc3cc(Cl)c(Cl)cc3n2)cn1 96007363 WXMBGRSFEJDGQW-OAHLLOKOSA-N 348.237 4.012 0 40 EIAB CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1cccc(F)c1 96388185 JGULFOXJOWEQQK-INIZCTEOSA-N 347.455 4.203 0 40 EIAB CCC1(CC)Oc2ccc(NC(=O)[C@H]3COc4ccccc43)cc2O1 97105214 UVVUOGYWVLSHIH-HNNXBMFYSA-N 339.391 4.089 0 40 EIAB CCc1cnc(CCNC(=O)N2CCCC[C@H]2c2ccc(C)o2)s1 173386250 FWNKBIRUJSJPKO-HNNXBMFYSA-N 347.484 4.086 0 40 EIAB Cc1cc(C)c(OCC(=O)n2cc(C=O)c3ccccc32)c(Cl)c1 216788497 IAUCPZIQFDRFLZ-UHFFFAOYSA-N 341.794 4.443 0 40 EIAB Cc1cc(C)cc(OCC(=O)NCCOc2ccccc2C(C)C)c1 223775934 TVMLGXMHOVPZEB-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCCc1ccc(Cl)cc1 224432628 ZMEYVZAKAAXXBP-KRWDZBQOSA-N 331.843 4.165 0 40 EIAB Cc1cccnc1NC(=S)NCCCc1cccc(OC(C)C)c1 225566611 REPXZXBCJIDCBE-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)cc1 225691438 CYPUSCHSPRXLIF-UHFFFAOYSA-N 339.435 4.387 0 40 EIAB CCCCc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 225747067 KGRYNWWOXOCNNC-UHFFFAOYSA-N 348.446 4.291 0 40 EIAB Cc1ccccc1[C@H](NC(=S)Nc1ccc2c(c1)OCO2)C(C)C 225760555 AXWBVLNYTFLBHU-GOSISDBHSA-N 342.464 4.407 0 40 EIAB Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)n1 331395496 BZYAEAQWEZIING-XCRHUMRWSA-N 343.471 4.352 0 40 EIAB COC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1C 408610355 QHRKPJRHBMBGPL-UHFFFAOYSA-N 343.766 4.434 0 40 EIAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@H](c2ccncc2)CC1 1616039463 XFNBBXYFWQQDEV-INIZCTEOSA-N 347.418 4.147 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)OC(=O)C2 99914 FBZKRLMXKDYDIW-IBGZPJMESA-N 346.810 4.326 0 40 EIAB biogenic COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O 183478 JKMUFUCTAIMTBL-HXUWFJFHSA-N 346.386 4.172 0 40 EIAB CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C(C)C)cc2)c(C)n1C 253974 RBPRIBKBEAXPIJ-UHFFFAOYSA-N 342.439 4.194 0 40 EIAB Cc1cc(OCC(=O)Nc2cccc3cccnc23)ccc1Cl 556630 QLUMSWSJQPVUMX-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1OC 568989 NMASTJRKAFOLMK-CYBMUJFWSA-N 342.464 4.336 0 40 EIAB Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)cc3)cs2)cc1 1415145 FUINNXOCQBAVJG-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CCCOc1cc(C)c(C(=O)Oc2ccccc2C(=O)O)c(C)c1 1655399 TUCIYVDVADKEFD-UHFFFAOYSA-N 328.364 4.010 0 40 EIAB O=C(O)[C@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1Cl 2527043 ACWIYJUUHYNPFI-OAHLLOKOSA-N 340.181 4.321 0 40 EIAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4081726 FRQMUZJSZHZSGN-HPVYWYMASA-N 344.495 4.084 0 40 EIAB biogenic COc1cc2c(cc1OC)-c1cc(-c3cc(C)n(C)c3C)cn1CC2 4090581 HESFBMLUVGSVBB-UHFFFAOYSA-N 336.435 4.351 0 40 EIAB biogenic c1ccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc2c1 4137811 JJXVDMDKAYLNFO-UHFFFAOYSA-N 327.390 4.378 0 40 EIAB Cc1c(Cl)ccc2sc(NC(=O)COc3ccccc3)nc12 4331479 OZRATYWMRMZBTR-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CCN(CC)C(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 4340233 HJABXSPRVYYXAH-UHFFFAOYSA-N 337.375 4.301 0 40 EIAB biogenic CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)O)ccc21 4676092 SJRQMAXWOVWAKF-ZDUSSCGKSA-N 338.407 4.254 0 40 EIAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 4733376 PDPGROKNZXOTHB-PZJWPPBQSA-N 327.387 4.324 0 40 EIAB CC1(C)C(=O)O[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1=O 4751450 KFHURBGTJOGHMQ-HZPDHXFCSA-N 328.795 4.317 0 40 EIAB O=C(NCc1cccc2ccccc12)c1ncoc1-c1cccs1 5001951 MBFULLOKOHJTGV-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)SC(=S)N1CCCC1 5288211 BBRKWMIURDBAER-LBPRGKRZSA-N 332.494 4.161 0 40 EIAB Cc1ccc(-c2nonc2NC(=O)c2cccc3ccccc23)cc1 5483412 MJXNLWWLOBOCCT-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 5893279 KJZORGYKCZSNEQ-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 7928154 IKCQIJBKJDESJU-KRWDZBQOSA-N 344.414 4.140 0 40 EIAB Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 8345310 WPHSPQAJBXSONF-UHFFFAOYSA-N 333.435 4.070 0 40 EIAB COc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1 10166006 HMEMASJBNSOPJC-UHFFFAOYSA-N 327.359 4.065 0 40 EIAB CSc1nnc(-c2ccccc2NC(=O)/C=C/c2ccccc2)o1 10434404 VQJDVYLGJXBXGL-VAWYXSNFSA-N 337.404 4.110 0 40 EIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1ccc(F)cc1 10512190 HQSGELBYUUYBDB-UHFFFAOYSA-N 333.409 4.355 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 10677217 ZMXSHBWPQXHDEA-SFHVURJKSA-N 329.465 4.041 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1F 11052680 ZVLCHHWEKZWNRC-CYBMUJFWSA-N 341.382 4.150 0 40 EIAB CCCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12023669 ASHPEEZQFMJPMI-UHFFFAOYSA-N 333.435 4.346 0 40 EIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1F 12742576 GIWCHRXIFCETEL-UHFFFAOYSA-N 331.343 4.445 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3cccc(Cl)c3)cnc21 12780618 LSUHAAHIPDRZGP-GFCCVEGCSA-N 342.830 4.157 0 40 EIAB c1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@@H]2CCCO2)cc1 13865455 WEQRWCJMMPLWPX-UFVMTTLYSA-N 337.448 4.023 0 40 EIAB O=C(CSc1nnc(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1 15019374 RNTIPCJXLOIAQV-UHFFFAOYSA-N 343.839 4.024 0 40 EIAB Cc1ccc(-n2nnnc2SCc2ccc(F)cc2Cl)c(C)c1 15089420 ISBFXBFERXMQFH-UHFFFAOYSA-N 348.834 4.364 0 40 EIAB COc1ccc(/C=C/C(=O)NCCOc2ccc3ccccc3c2)cc1 16142135 UKUJUPMICYPMFP-MDWZMJQESA-N 347.414 4.057 0 40 EIAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 17289200 IFHGGYDTYPNLCZ-SCLBCKFNSA-N 328.843 4.011 0 40 EIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2)c1C 19557997 NZLOJSREOAMBFI-GOSISDBHSA-N 336.439 4.409 0 40 EIAB COc1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)cc1 21691156 OPEYQFBVZGAGBD-UHFFFAOYSA-N 327.399 4.076 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1N1CCc2ccccc2C1 25798282 FUUXJRZZJIBIIY-UHFFFAOYSA-N 348.471 4.492 0 40 EIAB c1ccc(-n2cc(CNCc3cccs3)c(-c3ccncc3)n2)cc1 26304419 VMXYTJJYDADBRH-UHFFFAOYSA-N 346.459 4.286 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2cccs2)on1 27991841 UYVHJXLCGHHPGX-UHFFFAOYSA-N 345.380 4.404 0 40 EIAB O=C(Nc1cccc(-c2noc(-c3ccccc3F)n2)c1)C1CCC1 28221751 VOAYDQHZSIAVPJ-UHFFFAOYSA-N 337.354 4.281 0 40 EIAB O=S(=O)(c1cc(Cl)ccc1Cl)N(C1CCCC1)C1CC1 32824057 FGKYNHJHXWZOJE-UHFFFAOYSA-N 334.268 4.089 0 40 EIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccccc1Cl 32930544 WRDFXXQSJJJRLA-UHFFFAOYSA-N 338.794 4.457 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(c2ccccc2)=NO1 33146374 DBCVZVYUEBUNMO-HNNXBMFYSA-N 335.190 4.125 0 40 EIAB Cc1ccc(C)c(OCC(=O)N2CCCCC[C@H]2c2cccn2C)c1 40047331 LDOWEIIOJSTIAZ-IBGZPJMESA-N 340.467 4.165 0 40 EIAB Cn1c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)nc2ccccc21 40156264 SLIWFPHWMZPYQY-GOSISDBHSA-N 337.398 4.080 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(C)=O)c1 44945878 OLLAZJYETZINSE-LJQANCHMSA-N 325.408 4.302 0 40 EIAB Cc1nn(C)c2c1[C@H](c1ccc(-c3ccccc3)o1)SCC(O)=N2 49544831 GBNPRZOQLPGUQI-KRWDZBQOSA-N 339.420 4.413 0 40 EIAB CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(F)c(F)c1 56227797 KHMODCKBWWCGMP-UHFFFAOYSA-N 347.752 4.081 0 40 EIAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c2c(C)n[nH]c2n1 58218802 QYAGQLOVIJWEEC-KRWDZBQOSA-N 336.439 4.092 0 40 EIAB C[C@H](C(=O)Nc1cccc(F)c1)n1c(-c2cccs2)n[nH]c1=S 58425367 CVCYFCOVCGUSCJ-SECBINFHSA-N 348.428 4.008 0 40 EIAB Cc1cnc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cn1 62922374 OEMDDGLGYHAGIJ-KDOFPFPSSA-N 339.439 4.133 0 40 EIAB Cn1cc([C@@H]2CCCN2Cc2coc(-c3ccccc3Cl)n2)cn1 71797107 LOHOXHVUWRQTMA-KRWDZBQOSA-N 342.830 4.066 0 40 EIAB CC(C)NC(=O)Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1 71902444 UAALFLMIMGCFCC-CYBMUJFWSA-N 332.394 4.205 0 40 EIAB CC(=O)Nc1cccc(NC(=O)NCc2oc3ccccc3c2C)c1 72286341 LJRDQWUYZXGOGK-UHFFFAOYSA-N 337.379 4.021 0 40 EIAB c1csc(CN2C[C@H]3C[C@H](c4cccs4)N4CCC[C@@]34C2)c1 72342199 VZCGSGGZCDERBK-QGPMSJSTSA-N 330.522 4.221 0 40 EIAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN1Cc1ccccc1 72359236 VOXYOIKNUCFHLE-GOSISDBHSA-N 347.466 4.123 0 40 EIAB O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1ccsc1)C1CC1 75170204 BCPJVSUPFTUWLG-UHFFFAOYSA-N 341.354 4.452 0 40 EIAB CC[C@@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1ccncc1 76070404 DUWLWKVDKHAPQI-QGZVFWFLSA-N 336.395 4.318 0 40 EIAB COc1ccc(-c2noc([C@H]3C[C@@H]3c3c(F)cccc3Cl)n2)cn1 77968002 IFWQTXUHUYKVOS-QWRGUYRKSA-N 345.761 4.204 0 40 EIAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2=CCCCC2)c1 78997242 ILXAJXQCIWYVKP-UHFFFAOYSA-N 349.496 4.229 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 79030397 HGDVBQNXNCREIR-JTQLQIEISA-N 333.775 4.377 0 40 EIAB Fc1cccc(Cl)c1CN(c1nccc(C(F)(F)F)n1)C1CC1 84339047 JMXNDCDHMPNMRO-UHFFFAOYSA-N 345.727 4.457 0 40 EIAB C[C@H](Oc1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1)C(=O)O 91695608 YFPQWXOCSBAHLC-QMMMGPOBSA-N 345.704 4.273 0 40 EIAB Cc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1 95097096 NCEGVNURLFQYNC-UHFFFAOYSA-N 330.453 4.126 0 40 EIAB C[C@H]1C[C@@H](NC[C@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 95968961 FPMPWQIDAVKXIY-HWWQOWPSSA-N 344.505 4.389 0 40 EIAB COc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 96471007 INQVCCBEEVPGCA-SUMWQHHRSA-N 346.452 4.059 0 40 EIAB Cc1cc(NC(=O)CCc2ccc(F)cc2)ccc1Br 96656055 PESCJBQLJHBOSJ-UHFFFAOYSA-N 336.204 4.468 0 40 EIAB O=C(Nc1nncs1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103553832 HUIDKMQGMFNXJI-CXTCDGGRSA-N 339.464 4.015 0 40 EIAB O=C(NC[C@H]1CCCN1c1ccccc1)c1cccc2ccccc12 207992121 HPBPTGWWGWKOFZ-LJQANCHMSA-N 330.431 4.239 0 40 EIAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1F 222704418 KEACWNMONNVVLZ-OAHLLOKOSA-N 331.456 4.196 0 40 EIAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COC(C)C 224423782 NVYYKILUPDUQAM-UHFFFAOYSA-N 327.424 4.489 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1ccc(C)c(C)c1 224639985 BOZMPEJEIHXPIZ-UHFFFAOYSA-N 329.465 4.224 0 40 EIAB Cc1ccc(C)c(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224927312 GWQYXNQOXDMMRH-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB CCCCOc1c(I)ccc2cccnc12 225391545 WLWNEWYJZFLFIG-UHFFFAOYSA-N 327.165 4.018 0 40 EIAB Cc1ccnc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807744 AVUIONZRSDLLRP-UHFFFAOYSA-N 327.497 4.433 0 40 EIAB C[C@@H]1CCCCN1C(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227164031 RXLCTSDHPDNAJQ-OAHLLOKOSA-N 345.874 4.385 0 40 EIAB COc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)cc1F 390827467 YGQBTPZFXWXVOT-INIZCTEOSA-N 347.436 4.477 0 40 EIAB O=C(NC(=S)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 408593719 CQFAVOWAHHAJSL-UHFFFAOYSA-N 325.220 4.120 0 40 EIAB CCCCCNC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408676994 PHGTZOZSVOHLBM-UHFFFAOYSA-N 348.446 4.404 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)Cc1cccc(C(=O)O)c1 538575632 HVEVUGVOVFXGOW-UHFFFAOYSA-N 347.798 4.007 0 40 EIAB CC(C)n1ncc2cc(N[C@@H]3CC[C@@H](C)C[C@H]3n3cncn3)ccc21 1117713809 XTBOIIRLWYIQKY-LSBZLQRGSA-N 338.459 4.051 0 40 EIAB COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc2c1CCC2 118505 OFDHMQAHSYPBPX-UHFFFAOYSA-N 343.448 4.201 0 40 EIAB COc1ccc(NC(=O)Cc2c(SC)c3ccccc3n2C)cc1 380825 GUEIUIANFUXOTE-UHFFFAOYSA-N 340.448 4.090 0 40 EIAB COc1ccccc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 553846 QGDKYPVLPRQOQQ-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Cc1cccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1 569329 HLMPYJZNBVLPHC-UHFFFAOYSA-N 332.812 4.276 0 40 EIAB CCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(C)c2)s1 1345399 JANCLUBXBNLCPJ-UHFFFAOYSA-N 329.469 4.447 0 40 EIAB Cc1nc2ccccc2nc1CC(O)(c1ccccc1)c1ccccc1 1562859 WJXLOOXNKJZNEE-UHFFFAOYSA-N 340.426 4.417 0 40 EIAB COc1cc(NC(=O)Nc2cccc(C(C)=O)c2)c(OC)cc1Cl 1741598 YXMILAQYXIHBLL-UHFFFAOYSA-N 348.786 4.204 0 40 EIAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1 3229303 ISJQFGDWMGPCRE-UHFFFAOYSA-N 344.581 4.082 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(Br)cc1 3233390 RPLPPUADJVJGKL-VXGBXAGGSA-N 342.302 4.331 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCO2 3353460 YELHVBBATKQGRW-ZIAGYGMSSA-N 340.423 4.368 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 3478859 RRYQHLFOGCGZLW-GOSISDBHSA-N 325.408 4.114 0 40 EIAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 3506986 BEQYYFKLXXXDDO-UHFFFAOYSA-N 343.839 4.111 0 40 EIAB COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 4588333 SQYJMYJIHLZVAQ-AQTBWJFISA-N 335.403 4.337 0 40 EIAB CCOc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 5410588 AIMKSSCHKNLLJG-UHFFFAOYSA-N 343.496 4.120 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N1c2ccccc2C[C@H]1C 5628762 ICUYXTJHZTXYRJ-CHWSQXEVSA-N 338.432 4.286 0 40 EIAB C[C@H](Sc1nc2ccccc2s1)c1nc2ccccc2c(=O)[nH]1 5629425 NEPOEZUOSSTEDE-JTQLQIEISA-N 339.445 4.386 0 40 EIAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cn1 6609187 YGCDVYZTQUACGW-LLVKDONJSA-N 332.856 4.343 0 40 EIAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)cc1C 6635090 OEEYENBZJIYOBB-CYBMUJFWSA-N 331.799 4.088 0 40 EIAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccco1 7264982 XXJXYTZKNNSSJO-UHFFFAOYSA-N 326.349 4.456 0 40 EIAB CCCOc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 8343095 KHUTVTWACUDMGB-QGZVFWFLSA-N 327.449 4.442 0 40 EIAB COc1cc(Cl)c(NC(=O)c2ccc3ccccc3n2)cc1OC 8755580 HOMYRBUUANFHNO-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB Cc1ccc(CN(C(=O)c2ccccc2)n2c(C)cc(C=O)c2C)cc1 9324262 PPXCGYYYSFQCCV-UHFFFAOYSA-N 346.430 4.204 0 40 EIAB Cc1cc(CSCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)on1 9449505 BJOGYURMTRSYQA-OAHLLOKOSA-N 346.496 4.292 0 40 EIAB COc1ccc(OCCSc2cc(-c3ccccc3)ncn2)cc1 11903096 MRCWFEDWCZJMHI-UHFFFAOYSA-N 338.432 4.323 0 40 EIAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1n[nH]c2ccccc12 12520245 XSIWGHMQUJFALB-UHFFFAOYSA-N 337.713 4.070 0 40 EIAB COc1ccc2c(C)cc(SCC(=O)N3CCCC[C@H]3C)nc2c1 12533650 KBKTWYFBDXTFHV-CQSZACIVSA-N 344.480 4.045 0 40 EIAB C[C@H](NC(=O)c1ccccc1[S@](C)=O)c1ccc2ccccc2c1 12752371 IHKDEQYLJHEGPM-LFPIHBKWSA-N 337.444 4.068 0 40 EIAB Cc1ccc(Cc2cnc(NC(=O)c3ccncc3)s2)cc1Cl 12775901 NUSFAWFMBWIFJP-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Cc1ccc(C)c(C(=O)NCc2ccc(-c3csc(C)n3)o2)c1 12997812 YKQZEJDWAQUVTD-UHFFFAOYSA-N 326.421 4.258 0 40 EIAB CCCCc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 13331178 TXCKCRAVZGRNKZ-UHFFFAOYSA-N 338.436 4.195 0 40 EIAB CN(CC(=O)NCCC1=CCCCC1)[C@H]1CCCc2ccccc21 15261675 GHJBLJSCXHLLLE-FQEVSTJZSA-N 326.484 4.003 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 16109959 JKCAGFYTASBFNB-GOEBONIOSA-N 347.867 4.241 0 40 EIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccs1 20139461 VEEWLLGTQBGLFF-UHFFFAOYSA-N 333.796 4.406 0 40 EIAB O=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[nH]c2ccc(F)cc12 20726648 OOCBXPGOHAOENT-UHFFFAOYSA-N 341.729 4.038 0 40 EIAB CCCc1c(C)n(Cc2ccc(C)cc2)c2nc3ccccc3n2c1=O 20798272 MHHAGCDYIDMFFG-UHFFFAOYSA-N 345.446 4.267 0 40 EIAB Cc1cc(C)cc(/N=c2\scc(-c3cccs3)n2CCO)c1 22855570 YTEQZALOQOMHGN-ZCXUNETKSA-N 330.478 4.120 0 40 EIAB Cc1ccc2c(C)c(C(=O)NCC3(N(C)C)CCCCC3)oc2c1 28287584 ZSLGMCPAACMERF-UHFFFAOYSA-N 328.456 4.044 0 40 EIAB Cc1ccsc1-c1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 28334447 VQUSJZVQBZVSDY-UHFFFAOYSA-N 341.465 4.373 0 40 EIAB CC(C)NC(=O)c1ccccc1CSc1nc2ccccc2o1 29458497 SCQUYTXKEMTCDK-UHFFFAOYSA-N 326.421 4.258 0 40 EIAB COc1ccc(Cl)cc1[C@@H](O)c1ccc(Br)cc1 40243330 GXUQMMPZFIVLLV-AWEZNQCLSA-N 327.605 4.193 0 40 EIAB Cc1nc(NCc2ccco2)sc1C(=O)NCCC1=CCCCC1 44921074 MBFAAPOAOUKOQN-UHFFFAOYSA-N 345.468 4.277 0 40 EIAB CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1 56158645 PTMNAMLCBPXOLM-CQSZACIVSA-N 341.411 4.003 0 40 EIAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 59455962 NYZAXPNIFKOTGJ-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB CCC[C@H](NC(=O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 60367789 GDWRILCLJYBZBN-HNNXBMFYSA-N 330.394 4.003 0 40 EIAB Clc1cccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)c1 65185344 IDYWSTMOYRIBJH-UHFFFAOYSA-N 338.754 4.031 0 40 EIAB CCCc1noc([C@@H](C)Nc2ccc(N3CCSCC3)cc2C)n1 65270342 ADHJGZULVAQHOD-CQSZACIVSA-N 346.500 4.057 0 40 EIAB CCn1nc(C)c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1C 69697562 SSSSCNGMPTZRNJ-SNVBAGLBSA-N 339.361 4.030 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc2[nH]ccc12 71803372 YOTBSXNEORVRTK-UHFFFAOYSA-N 336.420 4.442 0 40 EIAB CC[C@H](NC(=O)N[C@@H]1CCCOc2ccccc21)c1nc(C)cs1 71856668 QWGLOHPAEDVGCE-LSDHHAIUSA-N 345.468 4.116 0 40 EIAB CCN(C(=O)CSC)[C@H](c1ccc(Cl)cc1)c1cccnc1 71903074 QBRACKATZHRUQW-QGZVFWFLSA-N 334.872 4.036 0 40 EIAB Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2nc(C(C)C)no2)c1 72311146 LCEJSXTULLIOAS-UHFFFAOYSA-N 347.415 4.427 0 40 EIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c(C)noc1C 75572883 QJDRATJTPCMKMV-ICSRJNTNSA-N 340.467 4.409 0 40 EIAB Cc1nsc(SCCCCC(=O)Nc2ccc(Cl)cc2)n1 80338732 FNWCRCUCBXMVDL-UHFFFAOYSA-N 341.889 4.401 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)N(Cc3ccccc3)C3CC3)cc2)o1 84291626 QEDAIALKQGSBEW-UHFFFAOYSA-N 348.406 4.242 0 40 EIAB O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@H]1c1ccccn1 84609865 MQVAWDFDZMMCSH-ZDUSSCGKSA-N 337.206 4.071 0 40 EIAB Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 90728963 MLUPXVFQTVBHNU-ZIAGYGMSSA-N 338.455 4.240 0 40 EIAB O=C(Nc1ccc(CN[C@H]2CCc3ccccc32)cc1)c1cccnc1 95421422 JJFVOSFASUQMIQ-NRFANRHFSA-N 343.430 4.111 0 40 EIAB NC(=O)c1ccc(NC(=O)N2CCCC[C@H]3CCCC[C@H]32)cc1Cl 95457601 RWJVVTXHHDJMIO-MLGOLLRUSA-N 349.862 4.016 0 40 EIAB CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@H]2C(=O)CCCC[C@@H]21 95951400 HGELFJCNFGEPSQ-SOLBZPMBSA-N 329.440 4.149 0 40 EIAB biogenic CN(C)C(=O)c1ccc(CNc2cccc(Oc3ccccc3)c2)[nH]1 95989192 PRKVWGHEVBOODC-UHFFFAOYSA-N 335.407 4.121 0 40 EIAB CC(C)Cc1nnc([C@@H](C)Sc2ncccc2Br)o1 96411952 WKSWVIIIBSDGKM-SECBINFHSA-N 342.262 4.279 0 40 EIAB S=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 104876808 CEKMNTRNFAPXOR-ZYSHUDEJSA-N 336.504 4.429 0 40 EIAB C[C@H](NC(=O)CSC/C=C/c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105926625 WIOSODTYXFGKFS-UHQVTTRSSA-N 329.509 4.374 0 40 EIAB CC1CCN(Cc2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)CC1 107133665 GWTBKBBXVPMIIU-JYJNAYRXSA-N 347.528 4.140 0 40 EIAB CCCCCC[C@@H]1C[C@@H]2O[C@H]2CCCCC[C@H](CC(=O)OC)O1 138533744 SQCLJUQRJXQTAE-BDXSIMOUSA-N 326.477 4.395 0 40 EIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1 223391015 PTYXHYCDPBCMKD-CQSZACIVSA-N 349.883 4.154 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224131297 ZAPGIVTVTHPKMC-CYBMUJFWSA-N 347.842 4.456 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(COC)c1 224623791 IIOWVEVSISLFNJ-KRWDZBQOSA-N 333.815 4.283 0 40 EIAB CC(C)Oc1cccc(NC(=S)NCCSC(C)(C)C)c1 225352153 FLKBLQWKCKHFEB-UHFFFAOYSA-N 326.531 4.292 0 40 EIAB CCOc1ccc(CNC(=O)c2cc(C)c(C)cc2C)cc1OCC 225648778 POUMKWYVBYRIBV-UHFFFAOYSA-N 341.451 4.339 0 40 EIAB CCC[C@@H](C)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225829865 WPFRBSLJWGZAGC-CQSZACIVSA-N 337.423 4.127 0 40 EIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253596892 XNJOZXWLEFEFEX-XUBFPOGISA-N 334.500 4.133 0 40 EIAB Cc1nc(CN[C@H]2CCCn3nccc32)oc1-c1ccc(Cl)cc1 640217455 BHIBYLOFQFCLPV-HNNXBMFYSA-N 342.830 4.125 0 40 EIAB O=C(NCc1cccc2ccccc12)N1CCC2(CC1)CC2(F)F 650786076 GOBKNJNHCHXGHU-UHFFFAOYSA-N 330.378 4.171 0 40 EIAB c1csc(OC2CCN(Cc3csc(C4CCCC4)n3)CC2)n1 2086884605 SVCPQPRUZGQPAQ-UHFFFAOYSA-N 349.525 4.301 0 40 EIAB CN(C)CCO[C@](C)(c1ccccc1)c1ccc(Br)cc1 246 URSRSKSNFPUKGH-GOSISDBHSA-N 348.284 4.291 0 40 EIAB in-man COc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 533766 HSGUXJUUGKRHDO-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB FC(F)(F)c1cccc(Cn2nnnc2-c2cccc(Cl)c2)c1 1405232 MXKHIAKVSGHEPX-UHFFFAOYSA-N 338.720 4.061 0 40 EIAB CCN(CC)C[C@@H](Cc1ccccc1)OC(=O)Nc1ccccc1 1672761 MVKHEBBJKCVXCG-LJQANCHMSA-N 326.440 4.188 0 40 EIAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 2399297 LSTZACRXYJCYDJ-YADARESESA-N 347.395 4.164 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2ccccc12 2761300 CGJBSYPMWNDPAO-UHFFFAOYSA-N 329.377 4.232 0 40 EIAB CCc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1 3512866 UPEZAZPUBMZGCW-UHFFFAOYSA-N 349.386 4.252 0 40 EIAB Cc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnccn12 3896540 PJBIHOJRAKNCGR-UHFFFAOYSA-N 330.391 4.462 0 40 EIAB O=C(COc1cccc(CNc2ccccc2)c1)Nc1ccccc1 4741070 YPODESBYRSHLDR-UHFFFAOYSA-N 332.403 4.316 0 40 EIAB CCCCc1c(CCC)cc2n1C(=O)C(C(=O)OCC)=C2SCC 5591160 OSWVUZCDFKZYNC-UHFFFAOYSA-N 349.496 4.464 0 40 EIAB CCCC(=O)c1cn(CC(=O)N(C)c2ccccc2)c2ccccc12 6245866 QOPWVNNRXDQNFM-UHFFFAOYSA-N 334.419 4.287 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6609060 PZPODNOUAUTUTQ-LBPRGKRZSA-N 339.313 4.300 0 40 EIAB O=C(Nc1ccc(F)cc1)[C@H](NC1CCCCC1)c1ccccc1 6640036 AVCFCIONZNYWDA-LJQANCHMSA-N 326.415 4.428 0 40 EIAB CCC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 7640430 UFBIUDKWNCARLZ-LJQANCHMSA-N 336.435 4.336 0 40 EIAB COc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 8237308 XIESTCPUFLBDLE-UHFFFAOYSA-N 342.395 4.134 0 40 EIAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 8746270 ZUYQMOSSEYQGJP-CYBMUJFWSA-N 325.437 4.097 0 40 EIAB Cc1ccc(CNC(=O)Cc2csc(-c3ccsc3)n2)cc1F 9114319 AWAVWDAQRPMYEZ-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB Cc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)n1 11907849 LVHLGQZVDQBGEK-UHFFFAOYSA-N 346.434 4.032 0 40 EIAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(Cl)s1 12249196 CXOQJMDQOCPSTF-UHFFFAOYSA-N 326.786 4.020 0 40 EIAB Cc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 12620968 GHQWUAZWBKPFJJ-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB Cc1ccc(-c2cc(CC(=O)N3CCCc4ccccc43)no2)cc1 12862712 MBIPDIHSZMVXIL-UHFFFAOYSA-N 332.403 4.172 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1Cl 14125218 DBQCPIHRTPVFPN-BBRMVZONSA-N 334.847 4.475 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)NCCc2cccs2)s1 15840086 FBBCRMFGUVPUFJ-UHFFFAOYSA-N 348.518 4.143 0 40 EIAB COc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1 17355366 YBRVASRWDNJOIV-UHFFFAOYSA-N 338.432 4.364 0 40 EIAB Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 19736137 UHLYXWNSSKTNBN-CQSZACIVSA-N 326.440 4.281 0 40 EIAB COc1ccc2cc([C@@H]3SCC(=O)N3Cc3ccco3)ccc2c1 19926971 ACMPFVSOLXSSAN-IBGZPJMESA-N 339.416 4.216 0 40 EIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(C)cc1 20035648 GCMGWYOICAIORL-VQTJNVASSA-N 341.451 4.429 0 40 EIAB CC(C)Oc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1 20044360 GMITZCASURZCCH-FMIVXFBMSA-N 329.827 4.457 0 40 EIAB CCc1ccc([C@H](NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C(C)C)cc1 24106967 SQSLOSZHPZQCSC-JIRNRHONSA-N 341.495 4.458 0 40 EIAB Cc1cc(C)c(-c2csc(NC(=O)C3CCOCC3)n2)cc1C 24644232 KPRWGBDPSCGAGG-UHFFFAOYSA-N 330.453 4.100 0 40 EIAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1SC1CCCC1 25267140 IZXLXIVPVHEAMW-UHFFFAOYSA-N 343.496 4.253 0 40 EIAB O=C(Nc1ccncc1)c1ccc(COc2ccc(F)cc2Cl)o1 28234519 RYWSHCTVFODAFR-UHFFFAOYSA-N 346.745 4.298 0 40 EIAB O=C(NCc1ccccc1CN1CCCC1)c1ccc2c(c1)CCCC2 30556258 KZUMSVYFKLMXIK-UHFFFAOYSA-N 348.490 4.091 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182698 KHNHTFMVZRQCPT-KCJUWKMLSA-N 326.343 4.423 0 40 EIAB CC(C)CN1C(=O)S/C(=C\Nc2cccc3ccccc23)C1=O 36636219 PIXRCESQKMPVHX-YBEGLDIGSA-N 326.421 4.445 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 39747685 ISGYCXWCBOCHDW-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C 44856411 MPVNQXMXFHLJMZ-QGZVFWFLSA-N 333.435 4.039 0 40 EIAB Clc1ccccc1CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49169293 TVHWFYMPDQBVSQ-INIZCTEOSA-N 339.826 4.380 0 40 EIAB biogenic,in-vitro O=C(CNCc1ccccc1)Nc1ccccc1Oc1ccccc1 57711884 WQXAUYJGLLZPRE-UHFFFAOYSA-N 332.403 4.207 0 40 EIAB C[C@@H]1CCc2[nH]c3c(C(=O)N(C)CCc4ccncc4)cccc3c2C1 58356427 HWQIGKKLVPDARH-OAHLLOKOSA-N 347.462 4.002 0 40 EIAB N#Cc1ccc(NC[C@H](O)c2ccc(F)cc2F)cc1C(F)(F)F 67350251 LOZPWKFIZUFFOZ-HNNXBMFYSA-N 342.267 4.001 0 40 EIAB N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 67350772 WZCMUTLOGWHWJW-UHFFFAOYSA-N 349.173 4.177 0 40 EIAB Cc1noc(C)c1CNc1ccccc1NC(=O)Cc1cccs1 69518369 WQADBAHYTIHWEB-UHFFFAOYSA-N 341.436 4.146 0 40 EIAB COCCn1ccc2c(NC(=O)c3ccc4c(ccn4C)c3)cccc21 70666398 AFLITSCRFPQBFI-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic O=C1C/C(=C/c2c[nH]c3cc(Cl)ccc23)C(=O)N1C1CCCCC1 71282286 LWNLMDTXIOUKQH-WQLSENKSSA-N 342.826 4.296 0 40 EIAB CCCN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214516 YNYNIHKBVMZYOX-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Nc2ccccc2)C1 84553344 WFUXMLXRBIVCBB-HXUWFJFHSA-N 345.446 4.194 0 40 EIAB Fc1cc(CNC[C@@H]2CCO[C@@H]2c2ccccc2)c2ncccc2c1 89827823 AOIWXGOTERAUCY-LAUBAEHRSA-N 336.410 4.241 0 40 EIAB CCN(C(=O)NCc1ccc(Cl)cc1OC)[C@@H](C)c1cccnc1 89960789 VJBXIVNTDXRREI-ZDUSSCGKSA-N 347.846 4.036 0 40 EIAB Cc1nccn1-c1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1 90458965 LLKPSAGNYNQGNE-ZDUSSCGKSA-N 338.480 4.365 0 40 EIAB FC(F)(F)Cc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 95429286 LDQORVRFOVNRQP-UHFFFAOYSA-N 332.329 4.189 0 40 EIAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccs3)C[C@@H]21 96058317 NOTPFGBRLGQGJA-UFYCRDLUSA-N 326.509 4.359 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@@H](OC)c2ccsc2)cc1 96097406 YCTYTJIUIGNTPA-QGZVFWFLSA-N 333.453 4.045 0 40 EIAB CO[C@H](CNC(=O)CCSc1ccccc1)c1ccc(C)s1 96104706 HAQUOVQQEAMGKT-OAHLLOKOSA-N 335.494 4.043 0 40 EIAB COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 102298024 IDNGCYIMAWTMQX-HKUMRIAESA-N 347.480 4.034 0 40 EIAB O=C(CC(=O)c1ccccc1)CC(O)(c1ccccc1)c1ccccc1 102916782 SCGGIZZMOSXSIW-UHFFFAOYSA-N 344.410 4.155 0 40 EIAB CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(C)nc2C)s1 152279796 SZPZSLUHGPVZTN-ZDUSSCGKSA-N 332.473 4.251 0 40 EIAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)n1 170580135 MVVYUTJBOIILGB-UHFFFAOYSA-N 336.370 4.228 0 40 EIAB COc1cccc(NC(=O)NCCSCc2cccc(C)c2)c1 225759864 VBIGSOZIYWBYJA-UHFFFAOYSA-N 330.453 4.059 0 40 EIAB CCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C(F)(F)F 225828370 TVBGJXZVBIYEDQ-UHFFFAOYSA-N 345.361 4.392 0 40 EIAB Cc1ccc(C2(C(=O)Nc3ccc(OC4CSC4)cc3)CC2)cc1 225940822 JDZQBSGXDOSBEH-UHFFFAOYSA-N 339.460 4.160 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3cccc4ncccc34)CC2)no1 257200588 ADYDCCXMLKZHIG-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCC[C@@]31C2 257241855 HZXHNCNKWNYEGM-PZBVGEIHSA-N 345.458 4.234 0 40 EIAB C[C@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 585140798 JPSIQVAIYLTRAH-WMLDXEAASA-N 333.501 4.400 0 40 EIAB Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccc3Cl)[C@H]2O)c1 585288682 HLMHMWFKQWCBCQ-XUVXKRRUSA-N 345.870 4.099 0 40 EIAB c1ccc(CSCc2nnc3sc(-c4ccccc4)nn23)cc1 1501040186 DGUJTJXTDNLAML-UHFFFAOYSA-N 338.461 4.286 0 40 EIAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 978103 LKOBDBGCQQSYIZ-PZJWPPBQSA-N 327.387 4.324 0 40 EIAB Fc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 1018226 IPIWGQGNKROBML-UHFFFAOYSA-N 344.802 4.236 0 40 EIAB O=C(Nc1ccc(-c2ccccc2)oc1=O)c1ccc(Cl)cc1 1389090 MEVXMLBFHCSLOD-UHFFFAOYSA-N 325.751 4.213 0 40 EIAB COc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1 1651978 SPJSTRVYPVIMFO-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 2589503 OTXMYKHRWJPZGN-NSHDSACASA-N 329.466 4.182 0 40 EIAB Fc1cc(Br)c(Br)c(Br)c1 2600063 FMIFEFSTHLAERU-UHFFFAOYSA-N 332.792 4.113 0 40 EIAB COC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12 4137078 ZRDDYIHZIFFKNH-UHFFFAOYSA-N 328.799 4.379 0 40 EIAB CCCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 4930881 VHIJAXMYJXOEAB-UHFFFAOYSA-N 331.416 4.040 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CSc1ccccc1C(=O)O 5749225 OMVQNDWTQRVENJ-UHFFFAOYSA-N 335.812 4.077 0 40 EIAB CC(C)n1nccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5870241 GACNZOUIPUBLRY-JTQLQIEISA-N 342.226 4.177 0 40 EIAB Cc1ccccc1Nc1nnc(SCC(=O)OC(C)(C)C)s1 6508909 JKYKDHDVKUOLRB-UHFFFAOYSA-N 337.470 4.024 0 40 EIAB CCCCCN[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 6648438 XRSDIKQKWLGQFQ-CYBMUJFWSA-N 341.480 4.492 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCc4ccccc43)cc2)n1 8491377 YCYCXZPCUVVQEZ-UHFFFAOYSA-N 331.419 4.082 0 40 EIAB Cc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)on1 9429101 PCTZWLHAHWMGDN-UHFFFAOYSA-N 338.392 4.116 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429771 YZSWEQKVIXSRJJ-AWEZNQCLSA-N 344.842 4.346 0 40 EIAB O=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1F 12600875 ZZBIWXKZVUYRJR-CMDGGOBGSA-N 327.746 4.074 0 40 EIAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C)cc2)C1=O 12761477 BANLOBIRZJCSRT-IBGZPJMESA-N 342.826 4.006 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(F)c1 12763356 VCFHPZYFZGGXRB-UHFFFAOYSA-N 340.379 4.136 0 40 EIAB CCc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 12914698 DAOSOKRVQQDGON-UHFFFAOYSA-N 337.463 4.440 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc2cccnc12 15835440 KUXALHDKSJYPNL-GFCCVEGCSA-N 326.783 4.294 0 40 EIAB O=S(=O)(Oc1ccc2oc3c(c2c1)CCCC3)c1cccs1 16085452 WTYIQXFKPLZBFS-UHFFFAOYSA-N 334.418 4.141 0 40 EIAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 18702095 FFCLMYFJPVCJPX-UHFFFAOYSA-N 326.318 4.397 0 40 EIAB O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 20117307 GPAAAQAXOJYMAL-UHFFFAOYSA-N 348.377 4.008 0 40 EIAB CCOc1cccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)c1 21524403 OEEVIFCTIYFKBV-UHFFFAOYSA-N 336.391 4.229 0 40 EIAB O=C(NCC1(c2cccs2)CC1)c1ccc(C(F)(F)F)cc1 22680045 DNRIGTGOUPBVGQ-UHFFFAOYSA-N 325.355 4.229 0 40 EIAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OC)cc1 24595467 MHEISHHSAIIQIF-SFHVURJKSA-N 347.455 4.335 0 40 EIAB COc1ccc(C(C)=O)cc1CN1CCCc2cc(F)cc(F)c21 26725727 FDVZUJPWDATJSO-UHFFFAOYSA-N 331.362 4.129 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 30753292 GXBMCRDFDOMHGH-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)c1csc(-c2ccccc2)n1 32740796 JVDLEJWSJGCJIR-HNNXBMFYSA-N 336.416 4.064 0 40 EIAB Cc1ccc(C(=O)c2ccccc2I)cc1C 36944834 OTJASIFGSPEEET-UHFFFAOYSA-N 336.172 4.139 0 40 EIAB CC(C)(C)[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 40155743 LDMLFYPZKVFUHB-IBGZPJMESA-N 342.508 4.010 0 40 EIAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cccnc1 40266167 CIYGAFYGIUHEAR-INIZCTEOSA-N 348.406 4.178 0 40 EIAB O=C(CC[C@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccccc2s1 44911848 QSEOCKROMSNGHM-GDBMZVCRSA-N 344.480 4.309 0 40 EIAB O=C(Nc1cccc(COCc2ccco2)c1)N1CCCCCC1 47602472 QPXOWYQKMFUUCS-UHFFFAOYSA-N 328.412 4.404 0 40 EIAB Cc1nc(CNC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cs1 48341338 XXGPYCIOZDISEH-ZBEGNZNMSA-N 345.468 4.042 0 40 EIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(C)cc1)CO3 55393821 XXWDOCCLFYQCLV-UHFFFAOYSA-N 349.430 4.324 0 40 EIAB C[C@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccc(Cl)s1 57292581 PSMLZBCSTSTKFQ-BYPYZUCNSA-N 338.792 4.073 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1 57990949 UPVILCWQWAJHSR-HXUWFJFHSA-N 333.435 4.454 0 40 EIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@@H](C)c2ccccc21 57996254 HABRTJVNFRSDRM-CQSZACIVSA-N 348.450 4.475 0 40 EIAB O=Cc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@H]3CCC1 58981004 CJKDEKOSYBTXAM-NRFANRHFSA-N 330.431 4.347 0 40 EIAB O=C(Nc1cccc2cccnc12)N(Cc1cccc(O)c1)C1CC1 65489123 JRLFKKPRUNFRFU-UHFFFAOYSA-N 333.391 4.137 0 40 EIAB Cc1cc(C(=O)N(Cc2ccccn2)C2CC2)cc(C)c1OC(F)F 71886232 ZFGIXUAZVPFVIF-UHFFFAOYSA-N 346.377 4.105 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1NC1CCC1 72213934 QMZOZNMEGFRCLF-LJQANCHMSA-N 335.451 4.413 0 40 EIAB CCN(CC)c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1N 72229325 DWYMHBINWDCBEY-UHFFFAOYSA-N 335.810 4.160 0 40 EIAB CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 78896769 QLPZJFPABJLGHL-WWGRRREGSA-N 342.405 4.003 0 40 EIAB CSc1ccc(C)c(C(=O)N(CC(F)(F)F)c2ccccn2)c1 79438268 MRAUAYBAJLJQLT-UHFFFAOYSA-N 340.370 4.321 0 40 EIAB CC(C)Cc1nc(CN2CCC[C@H]2Cc2ccccc2Cl)no1 84575207 JNCHFWZTMJTEOR-HNNXBMFYSA-N 333.863 4.129 0 40 EIAB CC(C)N(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C1CC1 84597220 DHSIJTFTHBTJJI-FQEVSTJZSA-N 349.430 4.154 0 40 EIAB CCCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)c(CC(=O)O)s1 85397382 FOZXKJQSQUJBTE-UHFFFAOYSA-N 346.452 4.101 0 40 EIAB Cc1csc(SCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 90608135 QCPXTDLSZNKJBB-HNNXBMFYSA-N 336.526 4.139 0 40 EIAB COCCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21 95473280 VAHDAMGJBBYSBD-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB COc1ccc2cc(NC(=O)Nc3c(C)noc3C3CC3)ccc2n1 97103437 GLNVUBHYKJGAHW-UHFFFAOYSA-N 338.367 4.061 0 40 EIAB Cc1cccc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 102947504 NSLROJIFJYCKDB-AWEZNQCLSA-N 347.336 4.136 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)O[C@@H]2CC(=O)c2ccccc2)cc1 107237673 DSJYREJJQJAMCB-MRXNPFEDSA-N 341.794 4.056 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1cccc(Cl)c1 107323614 MWHDVVCKIVHBEU-LBTNJELSSA-N 334.891 4.028 0 40 EIAB C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@H](c2ccco2)C1 158424730 AOWQDWXCEBXKBY-IUCAKERBSA-N 342.371 4.074 0 40 EIAB O=C(Nc1ccc2sncc2c1)c1cc(-c2ccc(F)cc2)on1 186852290 SZWJSGNODOYGTD-UHFFFAOYSA-N 339.351 4.343 0 40 EIAB Cc1cc(-n2ccnc2)ccc1CSc1nnc(C(C)(C)C)o1 194532164 BCPZAIDXUQCJTQ-UHFFFAOYSA-N 328.441 4.154 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)CCSCc1ccccc1 218997937 UBVQOEAEMQSGCQ-QGZVFWFLSA-N 343.492 4.202 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 224197915 BYGZIJGNDZMDDY-FOIQADDNSA-N 341.451 4.292 0 40 EIAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc2ccccc2c1 225057459 GHSPRQARFNJHCN-UHFFFAOYSA-N 329.396 4.194 0 40 EIAB Fc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1F 225860672 UMGKCFLHJTVWFB-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 253473168 RXLVVDOBXORMNE-ZDUSSCGKSA-N 335.812 4.265 0 40 EIAB CCOc1ccc(-c2ccc(OC(=O)c3ccc(C)cc3)nn2)cc1 408530917 SGIUKXKYMREZQY-UHFFFAOYSA-N 334.375 4.070 0 40 EIAB O=C1CC[C@@H](c2nc(-c3ccc(F)cc3F)no2)c2ccccc21 560005524 MSCMCCXJFFJPDF-CYBMUJFWSA-N 326.302 4.123 0 40 EIAB Cc1ccc(-c2csc(CN3[C@H](C)CC[C@@H](C(=O)O)[C@H]3C)n2)cc1 1616043989 DIEPRWCUSIMWRU-IIAWOOMASA-N 344.480 4.192 0 40 EIAB CCOC(=O)c1cccc(NC(=O)COc2cccc(C(C)C)c2)c1 113633 MYPLTRCGADGDMN-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB O=c1c2ccccc2nc(-c2ccncc2)n1-c1ccc(Cl)cc1 186950 GDMHWKAIWONAJA-UHFFFAOYSA-N 333.778 4.101 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 568783 GSJCIAYEYIWHKD-UHFFFAOYSA-N 341.495 4.304 0 40 EIAB Cc1c(NC(=O)/C=C/c2ccco2)cccc1-c1nc2ncccc2o1 578845 GRYUKXSSVAECIN-MDZDMXLPSA-N 345.358 4.443 0 40 EIAB CCCCOc1ccccc1NC(=O)COc1ccc(C)c(C)c1 1777464 JAWCWWREPDNTKD-UHFFFAOYSA-N 327.424 4.500 0 40 EIAB COc1cccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1 2849706 HCDLRUZIYFRTDT-UHFFFAOYSA-N 331.371 4.179 0 40 EIAB O=C(NC1CC1)c1ccccc1OCc1ccc(Cl)cc1Cl 3335502 MQQUUTFIWMWYHD-UHFFFAOYSA-N 336.218 4.465 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 3478861 RRYQHLFOGCGZLW-SFHVURJKSA-N 325.408 4.114 0 40 EIAB FC(F)Oc1ccc(NC(=S)N2CCCc3ccccc32)cc1 4134952 VPPFWYSZLNYLNA-UHFFFAOYSA-N 334.391 4.438 0 40 EIAB COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1 5560020 AINUVIWTWSHVNX-UHFFFAOYSA-N 347.414 4.304 0 40 EIAB COc1ccc(-c2ccnc(SC(=O)C3CCCCC3)n2)cc1 5917811 LSFYWLPWDDCAJF-UHFFFAOYSA-N 328.437 4.351 0 40 EIAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc3ccccn23)cc1C 6114978 UXXMITXRAJCETK-AWEZNQCLSA-N 325.437 4.018 0 40 EIAB CC1CCN(C(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)CC1 6245766 ZHPGYEATIIMXMC-UHFFFAOYSA-N 340.467 4.129 0 40 EIAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 7657250 OFFYUEMCGVMBPC-RDTXWAMCSA-N 325.408 4.242 0 40 EIAB C[C@@]12C[C@@H](NC(=S)N1c1ccc(Cl)cc1)c1cc(F)ccc1O2 8023835 DTRBABCEGJGKOA-RHSMWYFYSA-N 348.830 4.414 0 40 EIAB CCc1c(C(=O)Nc2ccc3ccccc3c2)cnn1-c1ccccn1 8715241 WSRHXKYXPMHEBH-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB O=C(Nc1ccc(-c2nccs2)cc1)c1cnc2ccccc2n1 8723832 HQGVDSQDMJRSIM-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB CC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)c(F)c1 9446380 MRMSHLNJZLMYSN-UHFFFAOYSA-N 331.372 4.113 0 40 EIAB Cc1ccccc1CN(C)[C@@H](C)c1nnc(-c2ccc(F)cc2)o1 9613765 CAYPOTVTMVXUHT-AWEZNQCLSA-N 325.387 4.377 0 40 EIAB C[C@H](NC(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1ccco1 10845014 IHEOCUCLPWRSEP-NSHDSACASA-N 346.383 4.043 0 40 EIAB COc1ccc(CNC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1 12607333 FBHSDHCBSUAAAO-UHFFFAOYSA-N 348.446 4.092 0 40 EIAB O=C(c1cccc(Cl)c1Cl)N1CCN(C2CCCCC2)CC1 13326389 MYBUYEXGVZVJLX-UHFFFAOYSA-N 341.282 4.084 0 40 EIAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 14219132 IHWGDTITASMPDF-HNNXBMFYSA-N 339.460 4.442 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)N1CCCc2ccccc21 14397018 QPNUSVQBXPHOJU-UHFFFAOYSA-N 329.827 4.478 0 40 EIAB O=C(NCCOc1ccccc1)c1cccc(OCc2ccccc2)c1 16009283 PUQCHTIHPYYKLU-UHFFFAOYSA-N 347.414 4.074 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)c(C)c1 20487489 OERDXXJLQUTKMI-SFHVURJKSA-N 336.479 4.390 0 40 EIAB Cc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)c(C(C)(C)C)c1 27531043 JLKSJXCQCJQNRN-FGTMMUONSA-N 333.516 4.295 0 40 EIAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2ncccc2c1 32936370 GGLZOTIANWPJFD-FQEVSTJZSA-N 333.366 4.072 0 40 EIAB Cc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39759546 VRXYJYWFXCHOTL-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)oc2c1C(=O)CCC2 40131642 OCNNMXDKJVBDKI-GOSISDBHSA-N 343.398 4.373 0 40 EIAB O=S(=O)(c1cccc2ccccc12)N1CC[C@@H](c2ccccc2)C1 44225410 UPTJVNRIPJSAMS-GOSISDBHSA-N 337.444 4.018 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c1C 44844940 WYSOMKMZZVZJKU-INIZCTEOSA-N 345.870 4.473 0 40 EIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2ccccc2n1 48237560 UQNDXSRJRIMDAB-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1ccc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1 49169901 KQFQCUDYYHAJAG-SFHVURJKSA-N 325.456 4.415 0 40 EIAB biogenic,in-vitro COc1cc(N)c2nc(Nc3nc4ccccc4s3)sc2c1 57352476 WLCDSFKTSHAICA-UHFFFAOYSA-N 328.422 4.240 0 40 EIAB Cc1nn(C)c(Cl)c1CNCC1(c2ccc(F)cc2)CCCC1 61017573 MYPSSGWRJWJFEI-UHFFFAOYSA-N 335.854 4.123 0 40 EIAB CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)nc1 62580711 DVRRALUZJMFPQZ-UHFFFAOYSA-N 346.430 4.353 0 40 EIAB CC(C)OCc1cccc(NC(=O)N2CCc3sccc3C2)c1 64543581 GWEKHVGIQJLOKD-UHFFFAOYSA-N 330.453 4.263 0 40 EIAB CC(C)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 67319236 LGNVQSJCRHBUSR-GOSISDBHSA-N 331.843 4.102 0 40 EIAB O=C(NCCCn1ccc2ccccc21)C1CCC(n2cccc2)CC1 69452479 KPFAMJCANDTXAZ-UHFFFAOYSA-N 349.478 4.381 0 40 EIAB CCN(C(=O)CSC)[C@@H](c1ccc(Cl)cc1)c1cccnc1 71903073 QBRACKATZHRUQW-KRWDZBQOSA-N 334.872 4.036 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72297267 QEEZDNVGCUURBQ-CQSZACIVSA-N 332.469 4.198 0 40 EIAB C/C=C(/C)c1cc(O)c(C)c2c1Oc1cc(O)cc(C)c1C(=O)O2 85555190 ZPPIKBUIYSSQEH-UITAMQMPSA-N 326.348 4.463 0 40 EIAB biogenic,in-vitro CN(Cc1cccc(NCc2cccs2)c1)Cc1cscn1 89361119 MLCTVVXPBZIRCS-UHFFFAOYSA-N 329.494 4.449 0 40 EIAB FC(F)(F)c1cccc([C@H](NC2CCN(C3CC3)CC2)C2CC2)c1 91268676 MOUVVLCIJITKCC-GOSISDBHSA-N 338.417 4.373 0 40 EIAB c1ccc2c(c1)SCC[C@@H]2NCc1ccnc(N2CCCC2)c1 95419986 MELBNFFEAWBGOV-KRWDZBQOSA-N 325.481 4.009 0 40 EIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cccc(Cl)c1Cl 100189302 VCQWNMDJRBTWEZ-MLGOLLRUSA-N 334.250 4.354 0 40 EIAB O=C1N/C(=C/c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 136920386 QEIROSDAKNYZSY-RIYZIHGNSA-N 333.174 4.091 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COc1ccccc1C 219594655 MPCONXLBHRDYPC-HKUYNNGSSA-N 341.451 4.045 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccccc1C(C)C 222811907 OOOBQIOWVKIQCX-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1F 222861469 LKNXZHDMEZSGNK-GOSISDBHSA-N 347.455 4.033 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)c(C)c1 223662489 CGWQFQBANNHVBU-UHFFFAOYSA-N 335.762 4.217 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224285272 FTWWVQJGEZGPEQ-UHFFFAOYSA-N 341.451 4.421 0 40 EIAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)N1CCCC1 225151109 DHSLTSQOMDAHRI-QGZVFWFLSA-N 345.826 4.224 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccccc2)c1 225280826 PUUCVLPDGNJPII-LLVKDONJSA-N 348.855 4.174 0 40 EIAB CCc1ccc(NC(=S)NCCCc2ccc(OC)cc2)cc1 225556081 DLWCLXCQFVOKIE-UHFFFAOYSA-N 328.481 4.177 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)Cc1cccc(Br)c1 225622840 HYHZJEVSJGHDJO-CYBMUJFWSA-N 332.241 4.177 0 40 EIAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2cc(C)ccc21 225747272 KPVIGWQNOJXAFH-UHFFFAOYSA-N 348.446 4.073 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1Cl 408588699 XXAMHPWYWBQYDP-UHFFFAOYSA-N 339.844 4.156 0 40 EIAB Cc1ccccc1-c1cccc(CN2CCC[C@H](Cn3ccnn3)C2)c1 538798971 IIVQQLSLAGISLQ-FQEVSTJZSA-N 346.478 4.166 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)c1c[nH]c2ccccc12 585366478 AMONTACCYXKPIP-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccsc1)c1ccco1 669463042 JGWBQGDBKIFFLC-RHSMWYFYSA-N 341.432 4.057 0 40 EIAB CC(=O)Nc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1 284684 FHDAPAHKNLFUTK-UHFFFAOYSA-N 325.393 4.218 0 40 EIAB O=C(Cn1cnc2ccccc21)Nc1ccccc1-c1ccccc1 411765 RDPMVOKZIGHFMQ-UHFFFAOYSA-N 327.387 4.342 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Oc2ccc(Br)cc2)cc1C 464666 AFTPWCAERXNCTN-CYBMUJFWSA-N 349.224 4.439 0 40 EIAB COc1cc(NCCCCCNCC(C)(C)C)c2ncccc2c1 1687525 CEDWVJBOALCZAH-UHFFFAOYSA-N 329.488 4.461 0 40 EIAB CCCOP(=O)(OCCC)OC(C(F)(F)F)C(F)(F)F 1856218 LQBJYYXUWBKTGA-UHFFFAOYSA-N 332.177 4.458 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 1966756 ZGYGPSUBBOHGIZ-WUXMJOGZSA-N 341.407 4.143 0 40 EIAB CCCCc1nc2sc3c(OCC)ncnc3c2c2c1CCC2 2235995 ZFBDLOLUFVFPOB-UHFFFAOYSA-N 327.453 4.470 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1OC 2626733 ZWHLXBTXXPKTAC-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB CCOc1ccc2nc(NC(=O)c3ccc4ccccc4n3)sc2c1 2629726 OQXRTQFITSEMAM-UHFFFAOYSA-N 349.415 4.496 0 40 EIAB O=C(CSc1nnc(NCc2ccccc2)s1)c1cccs1 3221284 BIEIVQATJHEDFO-UHFFFAOYSA-N 347.490 4.187 0 40 EIAB COC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3310290 MRJJFDOCLJXMKZ-UHFFFAOYSA-N 338.285 4.136 0 40 EIAB Cc1cc(C)c(NC(=O)COC(=O)c2c(F)cccc2Cl)c(C)c1 3349620 WMSDLJKPGAVWGT-UHFFFAOYSA-N 349.789 4.200 0 40 EIAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1 3482091 JAUCRIUAWHGPRF-IBGZPJMESA-N 338.451 4.005 0 40 EIAB Cc1ccc(SCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 4303357 MJIIPFLSHCDOSO-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c(C)c1 5484685 PYIJCIKLJFUMCB-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 6657385 CCWJCCJQHKVQHA-MHWRWJLKSA-N 338.388 4.265 0 40 EIAB C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl 7108287 UFGDVBFDWODVND-JTQLQIEISA-N 344.238 4.444 0 40 EIAB Cc1c(O)ccc2c(CSc3ccc(F)cc3F)cc(=O)oc12 7921513 ZKSNYKSWFYUXJB-UHFFFAOYSA-N 334.343 4.378 0 40 EIAB c1coc(-c2cc(CSc3nnc(C4CC4)n3C3CC3)no2)c1 8274835 WIMXYSTULPBBEJ-UHFFFAOYSA-N 328.397 4.031 0 40 EIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3F)c(=O)oc2c1 8774494 BMZHZNYGVHHNMZ-UHFFFAOYSA-N 339.366 4.120 0 40 EIAB CCCc1cc([C@H]2CCCCCN2Cc2c(C)nn(C)c2C)no1 12186593 KYXBAPKZJLDAHM-LJQANCHMSA-N 330.476 4.095 0 40 EIAB CCCOc1ccccc1C(=O)Nc1ccccc1Br 14036508 GFVSOZPPLQISBW-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB Cc1c(CSc2nc(C(C)C)n[nH]2)noc1-c1ccc(F)cc1 14125422 OSTWWSYLZHUCOT-UHFFFAOYSA-N 332.404 4.323 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 15330059 YHNJCWLYJDFKHP-OAHLLOKOSA-N 325.433 4.020 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(F)cc1F 15582239 GJINZJGFQWIBTL-UHFFFAOYSA-N 341.405 4.116 0 40 EIAB CSc1ncccc1C(=O)N1CC[C@H](C)Sc2ccccc21 17525306 HTXALPMXBBZIRS-LBPRGKRZSA-N 330.478 4.335 0 40 EIAB CCC(CC)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19500231 DEESBZDTMFICKM-ZCNNSNEGSA-N 346.490 4.089 0 40 EIAB Cc1ncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)n1 19937120 IYAFIMXGSGVJPM-UHFFFAOYSA-N 329.709 4.018 0 40 EIAB O=C(CSc1ccccc1)Nc1cccc(-c2ccc(CO)o2)c1 20151167 OHSYPPWGDBECDT-UHFFFAOYSA-N 339.416 4.170 0 40 EIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 20482440 YUORFTIAOBNQOK-QGZVFWFLSA-N 327.424 4.498 0 40 EIAB O=C(Nc1ccccc1F)c1cccnc1NCCc1ccccc1 22072835 NHKJNHUBMAXTSK-UHFFFAOYSA-N 335.382 4.128 0 40 EIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)NC3CCCCC3)cc21 22502697 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Cc1cc(C(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)n[nH]2)on1 75141064 HPEASSOCUHVDEM-UHFFFAOYSA-N 330.432 4.278 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)[C@H]1C[C@H]1c1cccnc1 84506025 ALABYRPXPYNAEK-ROUUACIJSA-N 335.451 4.204 0 40 EIAB Cc1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 95987512 JIFPGVBIHVZCGS-CQSZACIVSA-N 327.375 4.106 0 40 EIAB CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccccc3Cl)cc2)C1 96122340 CLPORECJGABKSF-HNNXBMFYSA-N 345.830 4.209 0 40 EIAB O=C(N1CCc2ccccc2C1)N1CCCCC[C@H]1c1ccncc1 97164999 GYGBZSCKTYRROM-FQEVSTJZSA-N 335.451 4.177 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1 113960332 ZBEOKRIOLANFHG-QFBILLFUSA-N 341.451 4.347 0 40 EIAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]21 136001741 KLOBYBBPFARQIW-PURYLZLUSA-N 341.838 4.296 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 195530178 BCRLLYGESUBULV-RFGFWPKPSA-N 332.469 4.249 0 40 EIAB Cc1ccccc1CCC(=O)NCc1cncc(-c2ccsc2)c1 206945214 OGWRFMCANMPLMP-UHFFFAOYSA-N 336.460 4.368 0 40 EIAB O=C(Nc1cccc(F)c1)c1cnc(-c2ccc(Cl)cc2)nc1 222602979 CLRBHVYDZJUWPK-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222814013 LSWIRCKYGMYJHC-KBPBESRZSA-N 337.901 4.177 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1 223177596 SKSJBZHBFQMULA-INIZCTEOSA-N 343.492 4.140 0 40 EIAB CCOc1ccc(C(N)=O)cc1COc1ccccc1C(C)(C)C 224506486 FPBSZZZTZZOKJJ-UHFFFAOYSA-N 327.424 4.061 0 40 EIAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 408625302 JJCFXSPCDDXZQH-UHFFFAOYSA-N 348.226 4.099 0 40 EIAB C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(Oc2ccccc2)cn1 528005693 LBDAWVQNBQYXJB-YXTCSXCUSA-N 326.440 4.336 0 40 EIAB Fc1ccc2nc([C@H]3CCCN(Cc4ncccc4Cl)C3)oc2c1 528421200 PAUQQXVTOOXOKU-LBPRGKRZSA-N 345.805 4.395 0 40 EIAB Cc1ccc2sc(C(=O)N3CCC[C@@H]3c3cnn(C)c3C)cc2c1 585084957 YVUNGRAUIPBOJJ-MRXNPFEDSA-N 339.464 4.229 0 40 EIAB Cc1nc(-c2nccs2)cc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 585179628 REWPVQAASSLQTH-HNNXBMFYSA-N 344.484 4.008 0 40 EIAB CC(C)[C@@H]1N(C(=O)c2cnn(-c3ccccc3)c2C(F)F)CC1(C)C 615240547 UYPRKMXLHPCFPG-INIZCTEOSA-N 347.409 4.317 0 40 EIAB CSc1ccc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)cc1 1888910726 YZBJRHLXOHQNFL-UHFFFAOYSA-N 340.452 4.001 0 40 EIAB CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cc(C)cc(C)c1 214027 VNQMCKHMYLCOSO-UHFFFAOYSA-N 335.432 4.206 0 40 EIAB CCN(CC)C(=O)C[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1 554338 VIVYUPKFFHUSEU-PZJWPPBQSA-N 331.500 4.326 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2ccc(C)c(C)c2)c(C)c1 568425 VWJRVGLMJBGKEI-UHFFFAOYSA-N 340.467 4.476 0 40 EIAB Cc1ccc(CN2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 1018890 ZVCGHCOZWCLRDQ-OAHLLOKOSA-N 346.839 4.282 0 40 EIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(F)ccc1F 2582787 YUQDAOVCIXKXJI-UHFFFAOYSA-N 348.296 4.109 0 40 EIAB CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 3243356 PWQBNORHHUXDQR-SDNWHVSQSA-N 348.402 4.124 0 40 EIAB CC(C)Nc1nnc(SCCCC(=O)c2ccc(F)cc2)s1 3383504 YFBPNVFZFUXQEP-UHFFFAOYSA-N 339.461 4.253 0 40 EIAB O[C@@H](CN[C@@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 3401919 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C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccccc1 8181661 FJHHDWGKIRSIRG-OLZOCXBDSA-N 348.240 4.094 0 40 EIAB Cc1cc(Br)ccc1SCC(=O)NC1CCCCC1 8202685 KAQJMVNNBVLOQD-UHFFFAOYSA-N 342.302 4.299 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1C 8498257 XTTLTNXDRPMPIX-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB Cc1ccc(NC(=O)c2sc(C)nc2C)c(Br)c1 9314150 XIIMYUMJCSEGSS-UHFFFAOYSA-N 325.231 4.083 0 40 EIAB Clc1ccccc1OCCSc1nncn1-c1ccccc1 9863551 UIMKSWSIJBUQAD-UHFFFAOYSA-N 331.828 4.092 0 40 EIAB Cc1ccc(CS(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 10112667 YDSNRPARGXMMGF-UHFFFAOYSA-N 345.464 4.258 0 40 EIAB O=C(CCc1nc2ccccc2s1)Nc1cccc2cccnc12 10783394 ZPMXVFCFAGZSFF-UHFFFAOYSA-N 333.416 4.416 0 40 EIAB O=C(CCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071579 HIYQWSIUWCMLEO-UHFFFAOYSA-N 330.431 4.416 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 11206871 HXDXLAWJPRYBAQ-SCLBCKFNSA-N 329.827 4.375 0 40 EIAB CCOc1cc(/C=C/C(=O)NC(CC)CC)cc(Cl)c1OC 12747742 CHHPPUHYQDLYCS-CMDGGOBGSA-N 325.836 4.065 0 40 EIAB 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4.106 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1Cl 20137799 BMHJHWRDYKSGCE-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB Cc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 21000851 KXQAZFLMXRSYNQ-UHFFFAOYSA-N 336.416 4.075 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 21183465 ZGAHUNDCEIHUJY-KRWDZBQOSA-N 335.856 4.078 0 40 EIAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 22618033 BDQXKIUWEQXJTB-UHFFFAOYSA-N 346.430 4.364 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCc1ccccc1 22904581 MVDKELWQFPVIBN-HUUCEWRRSA-N 329.465 4.194 0 40 EIAB Cc1cc(C)c2c(C)c(C(=O)NCC3(N(C)C)CCCCC3)oc2c1 27580443 GOBCVVYEKCWZDT-UHFFFAOYSA-N 342.483 4.352 0 40 EIAB CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccc(C)cc1 35622114 LGZPWYVVVFLWBE-SFHVURJKSA-N 341.846 4.361 0 40 EIAB Cc1ccc2c(CC(=O)Nc3ccc(Br)cn3)coc2c1 39975736 TVCNZNJLVPLILY-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccccc1 40030642 GESRXCCQACVEFV-UHFFFAOYSA-N 331.485 4.124 0 40 EIAB Cc1noc(C)c1CCC(=O)NCC(c1ccccc1)c1ccccc1 44722814 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4.129 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCCC1 71884311 PBZGQCVAWJOEIU-UHFFFAOYSA-N 328.437 4.058 0 40 EIAB C[C@@H](NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 73005579 FWBIXFSIOXTFKM-OAHLLOKOSA-N 349.409 4.324 0 40 EIAB C[C@@H](NC(=O)Nc1cccc(C2SCCS2)c1)c1ccccn1 78248625 VLCRDNHRXZKUDF-GFCCVEGCSA-N 345.493 4.443 0 40 EIAB CC[C@@](C)(NCc1nnc(-c2ccc(F)cc2)o1)c1nc(C)cs1 84721226 JEVRHLSIHZWEKA-QGZVFWFLSA-N 346.431 4.056 0 40 EIAB CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 87065672 NWEOLXIQJIPDJI-KRWDZBQOSA-N 346.858 4.359 0 40 EIAB O=C(CCc1nnc(C2CCCC2)o1)N1CCC2(CCCCC2)CC1 95415079 AEZLZJRWOGZDCO-UHFFFAOYSA-N 345.487 4.233 0 40 EIAB CC(C)n1c(C(=O)NCCc2nccs2)cc2cc(Cl)ccc21 95477852 SKWIFCWOFZVTAE-UHFFFAOYSA-N 347.871 4.305 0 40 EIAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 96433267 BQEKFOZILFVDTB-CZUORRHYSA-N 332.469 4.231 0 40 EIAB Cc1ccc(-c2nc(CNc3ccc([S@@](C)=O)c(F)c3)co2)cc1 97020097 CDYXVRLBBLHKPK-DEOSSOPVSA-N 344.411 4.139 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)c1ccncc1 107344917 KHXOGGOLHUWEAD-QILLFSRXSA-N 349.434 4.017 0 40 EIAB CCn1ccnc1-c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 156986348 IZRAEQIHYHEGOI-UHFFFAOYSA-N 327.334 4.101 0 40 EIAB COC(=O)c1ccc(OCc2ccc(C)cc2)c(Br)c1 200716166 CPKQXXRIAWLCDP-UHFFFAOYSA-N 335.197 4.123 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)OCO2 223010753 BQRPAYSLMPJDCN-HNNXBMFYSA-N 347.798 4.173 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(Cl)cc1 224618155 PUKWEQUNNLIHGY-SFHVURJKSA-N 331.843 4.165 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cn1 225899982 JYXJEZSGVXCFFB-DNVCBOLYSA-N 334.460 4.184 0 40 EIAB COc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1Cl 226035034 ZBHIAJGPKJCKKT-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN(C)C1CCCCC1 245319126 ZKGHLKYIPSVZNW-GSEOLPGOSA-N 325.537 4.089 0 40 EIAB Clc1ccccc1Cc1cnc([C@@H]2CCCN2c2ncccn2)o1 257335505 YKLBXYJABJLOFM-INIZCTEOSA-N 340.814 4.050 0 40 EIAB CSc1ccc(NC(=O)[C@@H](C)Nc2cccc3cc[nH]c23)cc1 547806625 FPFSVGGLRXRUQP-GFCCVEGCSA-N 325.437 4.329 0 40 EIAB CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 201154 ZNHCFRZFVJAVPF-UHFFFAOYSA-N 349.433 4.268 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3ncc(Cl)cc3Cl)CC[C@@]1(C)C(=O)C2 468365 RMRHPJUQWQEFAC-JKSUJKDBSA-N 341.238 4.112 0 40 EIAB COc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 514289 OULUFUFRKVBMKP-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccccc12)c1ccccc1 530227 LQEIGWJPBJYIJW-CQSZACIVSA-N 336.391 4.087 0 40 EIAB O=c1[nH]nc(CNc2ccc(Oc3ccccc3)cc2)c2ccccc12 1390969 IRXYPYACXMUDGH-UHFFFAOYSA-N 343.386 4.328 0 40 EIAB COc1ccc(C(=O)NCC[C@H](c2ccc(OC)cc2)C(C)C)cc1 2152148 AAYRVMMRAOCUQU-FQEVSTJZSA-N 341.451 4.264 0 40 EIAB biogenic Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(F)(F)F 2972280 AUHPUGVMQGHLPZ-UHFFFAOYSA-N 337.326 4.168 0 40 EIAB CCCCOc1ccc(-c2ncc(C(=O)OCC)c(Cl)n2)cc1 3179315 WKPQTIUMQULDBY-UHFFFAOYSA-N 334.803 4.153 0 40 EIAB O=C(COc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 3317672 ZTGOXYDSEHOMBZ-UHFFFAOYSA-N 339.174 4.026 0 40 EIAB COc1cc(C(=O)Nc2ccc(Cl)cc2F)cc(Cl)c1OC 3444275 BOXVIBHRWOIOCQ-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cn1 3503932 SWDIMKKQLKQVRP-VIFPVBQESA-N 349.868 4.464 0 40 EIAB CC(C)CCCCCCOc1ccc([C@]2(C)N=C(O)N(C)C2=O)cc1 4025552 AEDXTQTXHLFXGF-FQEVSTJZSA-N 346.471 4.273 0 40 EIAB biogenic CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2)N3)C1 4545417 ATHVFMNONXMGFT-MGPLVRAMSA-N 328.437 4.398 0 40 EIAB COc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 6470253 UOLYSOXBULVGSC-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Sc1nnc(COc2ccc3ccccc3c2)n1-c1ccccc1 6534211 CQPKEKMNCFNRKZ-UHFFFAOYSA-N 333.416 4.288 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccccn2)cs1 6830892 JYGBCLJKQHIBJT-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccncc1 6935004 BWCWYBLPGSKELZ-KRWDZBQOSA-N 347.443 4.186 0 40 EIAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F 6969506 OJXWHXQYLVXXGF-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CSC/C=C/c2ccccc2)c1 7150309 WPLSJPZABANSRM-RMKNXTFCSA-N 340.448 4.030 0 40 EIAB C[C@H]1Cc2ccccc2N1Cc1nnc(-c2ccc(Cl)cc2)o1 7587427 DSMZODIEIRITGF-LBPRGKRZSA-N 325.799 4.341 0 40 EIAB COc1cc(/C=C/C(=O)OCc2ccccc2C)ccc1OC(F)F 7980552 XUKFXPLDKWRHCU-CSKARUKUSA-N 348.345 4.362 0 40 EIAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 8534215 JIXCUFQQQNRGJI-INIZCTEOSA-N 344.414 4.430 0 40 EIAB O=C(CSc1ccc2ccccc2n1)NCCC1=CCCCC1 8643018 VYPKSGOBHUYNKF-UHFFFAOYSA-N 326.465 4.334 0 40 EIAB CC(C)[C@@H](NC(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 8707706 PCVQUDJXWSCHOB-MRXNPFEDSA-N 326.375 4.221 0 40 EIAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)C)cc21 8959980 GCLGWIQEJSVBPY-UHFFFAOYSA-N 346.471 4.079 0 40 EIAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CC1 8985310 UXBKMHVCFCFKRQ-UHFFFAOYSA-N 332.403 4.220 0 40 EIAB CCc1ccccc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F 9141442 AYGPTRUJJSFPRW-UHFFFAOYSA-N 327.277 4.066 0 40 EIAB C[C@@H]1CN(C(=S)c2ccccc2OCc2ccccc2)C[C@@H](C)O1 9189004 ZRDDSIBIXWVUSY-HZPDHXFCSA-N 341.476 4.050 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 10275727 GYPURTCNFSETFC-CYBMUJFWSA-N 335.444 4.163 0 40 EIAB CSc1ccccc1C(=O)NCCSCc1ccccc1F 10280532 YASIHTXQFZCPQB-UHFFFAOYSA-N 335.469 4.211 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 10324984 SKELLLNCSZWXGW-UHFFFAOYSA-N 339.435 4.327 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1Cl)CC3 12390763 DPCVDKSWTXGPRM-UHFFFAOYSA-N 340.810 4.028 0 40 EIAB C[C@@H](NC(=O)c1ccccc1[S@@](C)=O)c1ccc2ccccc2c1 12752353 IHKDEQYLJHEGPM-SHACYNPGSA-N 337.444 4.068 0 40 EIAB CCc1cccc(C)c1NC(=O)c1cc(Cl)c2c(c1)OCCO2 12797892 ACWQTAFMWSRZQS-UHFFFAOYSA-N 331.799 4.234 0 40 EIAB COc1ccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)cc1 12818834 ZTNATIYROFNTAS-JXMROGBWSA-N 335.325 4.044 0 40 EIAB CCC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 12913981 ZIWLSDMPVXQZEF-IBGZPJMESA-N 336.435 4.306 0 40 EIAB COc1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12924719 VLLVTGHRROWGAQ-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c(C)c1 12937616 SFZDDWZXQAWIMZ-CYBMUJFWSA-N 341.382 4.150 0 40 EIAB CN(Cc1ccccc1Br)C(=O)c1cc2ccccc2[nH]1 12947403 JEOFAUIJLCQLBM-UHFFFAOYSA-N 343.224 4.203 0 40 EIAB COc1ccc(CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 14700618 CQVBHHZJJHXTIG-CQSZACIVSA-N 327.449 4.155 0 40 EIAB COc1ccccc1/C=C/C(=O)NCCOc1ccc2ccccc2c1 16142157 HRYPCGUJMHWKNQ-ACCUITESSA-N 347.414 4.057 0 40 EIAB COc1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)O)cc1 19894596 YAPOORUUUYSFGP-UHFFFAOYSA-N 340.404 4.189 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(C)cc1 20035322 DRAPYNYJDUKANG-LJQANCHMSA-N 329.415 4.041 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(C)cc1 20036758 XDNZQOBWVYAZAV-KRWDZBQOSA-N 335.494 4.147 0 40 EIAB Cc1ccc(-c2noc(COC(=O)c3ccccc3Cl)n2)cc1 21468502 CGMRBUSKBRKPGU-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB O=C(CCC1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 23379335 DAIDMVFKPRTSJI-KPKJPENVSA-N 340.511 4.205 0 40 EIAB CCc1nc(C)c2c(C)c(C(=O)N(C)c3ccccc3)sc2n1 26156038 VHRKKDCJQMSCFO-UHFFFAOYSA-N 325.437 4.147 0 40 EIAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1Cl 29482567 NNRIVKBJEVNGQY-SFHVURJKSA-N 328.843 4.206 0 40 EIAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 35442776 CKKJGXQKGZQBSF-ZOBUZTSGSA-N 344.430 4.265 0 40 EIAB biogenic,in-vitro Cc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1F 40161594 XLHTZJSHUYZGBN-UHFFFAOYSA-N 344.773 4.353 0 40 EIAB CC(C)(C)c1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1 40484733 GNEMPKNEBPYHGM-UHFFFAOYSA-N 349.409 4.134 0 40 EIAB Cc1ccc(-c2noc(CCc3nc(-c4ccc(C)cc4)no3)n2)cc1 41097737 KBCLNQKXBXNUJN-UHFFFAOYSA-N 346.390 4.189 0 40 EIAB Cc1nc(CSCCC(=O)N[C@@H](C)CCCC(C)C)cs1 45897074 KJEVOTAKYPODEL-ZDUSSCGKSA-N 328.547 4.406 0 40 EIAB CN(Cc1ccccn1)c1nc(-c2cccs2)nc2ccccc12 48314622 FSRFFGBXVQAGOI-UHFFFAOYSA-N 332.432 4.390 0 40 EIAB CN(Cc1csc(-c2ncccn2)n1)[C@@H]1CCCc2ccccc21 51232896 ZCOHJKRWSNFEDU-QGZVFWFLSA-N 336.464 4.110 0 40 EIAB COc1ccc(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1 58198469 UONYSQZOWFAIFE-UHFFFAOYSA-N 346.452 4.090 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 59351959 NYVMNHYAICNSBN-MGPUTAFESA-N 341.451 4.292 0 40 EIAB COc1ccc2c(c1)CN(C(=O)Nc1cccc(C(F)F)c1)CC2 65610972 YNYZKMVQKNQNRC-UHFFFAOYSA-N 332.350 4.223 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1F 67682100 YSPBQUKUVDVLJU-UHFFFAOYSA-N 330.256 4.305 0 40 EIAB COc1cccc(CSc2nnc(Cc3cccc(F)c3)o2)c1 67754572 VCLJVIQECDYCCU-UHFFFAOYSA-N 330.384 4.100 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)ccc1Cl 68937432 NYDINSSYHUREGQ-AWEZNQCLSA-N 329.827 4.001 0 40 EIAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 70010747 QBFZDGJNRHJGHZ-WOJBJXKFSA-N 337.438 4.411 0 40 EIAB CC[C@H](c1ccccc1)N(CC)C(=O)Cc1cc2ccccc2[nH]c1=O 71842680 MKGFNURDRYGZHT-HXUWFJFHSA-N 348.446 4.070 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72214693 FTLCNUDHCGATFD-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3[nH]ccc3c2)cc1 72221742 ONVNMKSZVFHNKP-IBGZPJMESA-N 340.448 4.002 0 40 EIAB CC(C)[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccncc1 86398552 BDQOMXVHPGSWAL-RDTXWAMCSA-N 327.428 4.307 0 40 EIAB CCn1nc(C)c(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1C 89480645 NXCQJPATFOIOOV-NSHDSACASA-N 349.504 4.157 0 40 EIAB COc1ccc(-c2nnc(SCc3nc(C)c(C)s3)o2)cc1 89559529 NNWAZFZKRUVCMB-UHFFFAOYSA-N 333.438 4.111 0 40 EIAB C[C@H](Sc1nnc(-c2cccnc2)o1)c1ncc(C(C)(C)C)o1 95406425 JZFCDZMNTJNNFA-JTQLQIEISA-N 330.413 4.270 0 40 EIAB Cc1ccc([C@H](C)NCc2cccc(COC3CCOCC3)c2)o1 95422336 RVMNPMKBWFTPFP-INIZCTEOSA-N 329.440 4.134 0 40 EIAB CCc1cnccc1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 95466523 KXJVDQMIYCMINU-UHFFFAOYSA-N 342.782 4.309 0 40 EIAB O=C(Nc1nncs1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 103553821 HUIDKMQGMFNXJI-IHWOHKJGSA-N 339.464 4.015 0 40 EIAB COc1cc(C)c(/C=C(/Sc2nnc(C)o2)C(=O)O)cc1C(C)C 211546256 UAPBJLWCKPFBKH-OVCLIPMQSA-N 348.424 4.036 0 40 EIAB Cc1c(CO)c2ccccc2n1C(=O)c1cc(Cl)ccc1Cl 216954412 CZSVNNGTIXYDFQ-UHFFFAOYSA-N 334.202 4.437 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COCc1ccccc1 224744417 DKMHYXGRGGASJE-MRXNPFEDSA-N 341.451 4.330 0 40 EIAB CCOc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225107284 MDJLFGZSWLUREL-KRWDZBQOSA-N 334.799 4.122 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1C 225111685 KJTXXDUGAQMLAD-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB O=C(NCCSCc1c(Cl)cccc1Cl)c1cccnc1 225428726 YDYHUGNFSZXTFE-UHFFFAOYSA-N 341.263 4.052 0 40 EIAB CCCSc1nnc(NC(=O)CCSc2ccccc2)s1 225687335 HMJDTOFBWKCTQA-UHFFFAOYSA-N 339.511 4.161 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(F)c2)cc1C 225790115 KACUKJLCDZGPRO-CQSZACIVSA-N 332.444 4.196 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1 226272382 OWDYPYHPFRTYRF-UHFFFAOYSA-N 331.847 4.329 0 40 EIAB C[C@@H](NC(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 248379466 MYNYMUDEGKWOLT-OSFYFWSMSA-N 345.874 4.090 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 409109315 BOCFXRYVLPRCMU-AWEZNQCLSA-N 343.448 4.291 0 40 EIAB O=C(NCc1ccccc1)N[C@H](COc1ccccc1)c1ccccc1 519384337 NRYFXWCDNJWMCB-OAQYLSRUSA-N 346.430 4.306 0 40 EIAB CC(C)(CC(=O)N1CC[C@]2(CCCOC2)C1)Cc1ccc(Cl)cc1 585081252 SSFQTZUIVXHJDU-HXUWFJFHSA-N 349.902 4.328 0 40 EIAB Cc1cccc(Oc2ccc(I)cn2)c1C 685937557 KAMWWXFWVCISNJ-UHFFFAOYSA-N 325.149 4.095 0 40 EIAB CC[C@@H](C)n1ncc(NC(=O)C(C)(C)c2cccc(O)c2)c1C1CC1 1598266049 FPDZQGHLULLVIP-CYBMUJFWSA-N 341.455 4.353 0 40 EIAB COc1cc2[nH]c(=S)nc(Nc3ccc(F)c(F)c3)c2cc1OC 429303 LWJIHRYRMURURS-UHFFFAOYSA-N 349.362 4.331 0 40 EIAB CCc1cccc(C)c1NC(=O)CN1C(=O)c2cccc3cccc1c23 555044 GWMJDOHYGSUOJK-UHFFFAOYSA-N 344.414 4.310 0 40 EIAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 807586 OBQMVDSAIVVMRW-HNNXBMFYSA-N 335.403 4.224 0 40 EIAB OC(c1ccc(Br)cc1)c1ccc(Br)cc1 2565977 PDQRNCTWDZPBGQ-UHFFFAOYSA-N 342.030 4.293 0 40 EIAB in-vitro Cc1nc(SCc2ccc(Cl)c(Cl)c2)ncc1C(=O)O 2578170 PIESQQJVJBCHDV-UHFFFAOYSA-N 329.208 4.082 0 40 EIAB O=C(c1cc(Br)ccc1OC(F)F)N1CCCCCC1 2790313 NPPJTPHAHDMOSI-UHFFFAOYSA-N 348.187 4.067 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)c(C)c1 3083671 PMMHGWAMCLITDS-HNNXBMFYSA-N 329.469 4.138 0 40 EIAB O=C(OCc1ccc(Br)cc1)c1ccc(F)cc1F 3233178 IARQLOXPRKFDSB-UHFFFAOYSA-N 327.124 4.084 0 40 EIAB COc1cccc(OC)c1OCc1csc(-c2ccccc2)n1 3242529 BCHARIPYKIVIHL-UHFFFAOYSA-N 327.405 4.406 0 40 EIAB C[C@H]1CCC[C@H](C)N1Cn1nc2c(Cl)cc(Cl)cn2c1=S 3363031 HXBUDUIVMJPDTD-UWVGGRQHSA-N 345.299 4.392 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 3388400 UZCXOMSBBMLICL-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1OC 3499304 NPCMNTJLTWRCNB-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB CCOc1ccc(NC(=O)CSc2cccc3cccnc23)cc1 4698821 AHJCYFKYUHXEOB-UHFFFAOYSA-N 338.432 4.364 0 40 EIAB O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccccc1F 4854254 SYLAQGFZQZKVFF-LJQANCHMSA-N 335.382 4.264 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C 5374041 HXGZPLYEDAZIFE-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB COc1ccc(NC(=O)COc2ccccc2C(C)C)cc1Cl 5463503 OFBDZYBVTNHARX-UHFFFAOYSA-N 333.815 4.490 0 40 EIAB Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)cc2Cl)c1 5697709 IJSUHLOOMTWYPS-UHFFFAOYSA-N 338.234 4.419 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 6850585 JHQUADXMXWTJMW-UHFFFAOYSA-N 344.499 4.353 0 40 EIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)s1 7113377 QLWRSELRBDKPBQ-CYBMUJFWSA-N 326.343 4.185 0 40 EIAB O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1cccs1 7124709 NTRCGAVVWJAGKI-UHFFFAOYSA-N 328.437 4.017 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 7194782 OZMGIJVNMUIOKX-GFCCVEGCSA-N 328.393 4.310 0 40 EIAB CC(C)c1ccc(N2C(=O)/C(=C\c3ccsc3)NC2=S)cc1 7334991 MKPKSXKMFYXEQB-OQLLNIDSSA-N 328.462 4.134 0 40 EIAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)c1ccc(Cl)cc1 7442246 KJFOLSDEPLKKPU-SNVBAGLBSA-N 347.827 4.092 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccccc1 7642816 NSWLRWWZNAQSBD-UHFFFAOYSA-N 335.856 4.012 0 40 EIAB O=c1c2ccccc2nc(SC[C@@H]2CC2(Cl)Cl)n1C1CC1 7861785 KOXKIUNAUUVFIA-VIFPVBQESA-N 341.263 4.017 0 40 EIAB CCOc1ncccc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 10215548 QPOJBWZCFHACGS-INIZCTEOSA-N 330.815 4.015 0 40 EIAB Cc1cccc(OCCCNC(=O)Nc2nc3ccccc3s2)c1 10285201 YSTJIMBZLZPQLH-UHFFFAOYSA-N 341.436 4.195 0 40 EIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)C2CCCC2)n1 11057672 DRCDHENLCZLAJU-UHFFFAOYSA-N 347.415 4.036 0 40 EIAB Cc1nn([C@@H](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1C 12194687 LFVHHSMRXBSAKI-BBRMVZONSA-N 339.483 4.126 0 40 EIAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccccc1F)=C2 12274750 SHOWBNWLWIPOOP-UHFFFAOYSA-N 345.757 4.416 0 40 EIAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(N2CCCCC2)cc1 12573363 JDDFFCQAPSSOSE-UHFFFAOYSA-N 348.450 4.125 0 40 EIAB O=C(CCC(=O)c1ccccc1)OCc1coc(-c2cccs2)n1 12818204 PJHZQBPCQNOCEK-UHFFFAOYSA-N 341.388 4.109 0 40 EIAB O=C(O)C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 13389067 PULNQTATFAHHRP-JTQLQIEISA-N 344.219 4.001 0 40 EIAB C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccs2)c(OC)c1 14124111 CZPLHIDARSUYOC-BPJJOFIESA-N 331.437 4.046 0 40 EIAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 14268994 XLKJEAOXORPHON-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB CCc1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)sc1C 14722200 UXBZOBYWMAVHPW-UHFFFAOYSA-N 327.405 4.286 0 40 EIAB Cc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1C 17120370 VTCMAIGETZHCEF-UHFFFAOYSA-N 341.418 4.127 0 40 EIAB O=C(Cc1ccccc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20137115 CSPMYHRQCZGBQJ-UHFFFAOYSA-N 341.794 4.274 0 40 EIAB O=C(Nc1cc(Cl)cc2cccnc12)c1cnc2ccccc2n1 25600504 OPGADVITJPGHIV-UHFFFAOYSA-N 334.766 4.084 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 26051469 OGCLMGGSYCJTHB-MRXNPFEDSA-N 341.451 4.465 0 40 EIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)[C@@H]1C[C@H]1c1ccccc1 28241820 YXFOTMPWWXBDAU-ZWKOTPCHSA-N 337.810 4.268 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29482371 RLXVWLYARMPNNF-SFHVURJKSA-N 328.843 4.206 0 40 EIAB CCC[C@@H](C)NC(=O)CSCc1cc(-c2ccc(C)cc2)no1 30527445 GVYHGWUHHXJPRV-CQSZACIVSA-N 332.469 4.188 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1cc(C)ccc1C 30864064 KITJFDCACUKGKV-GOSISDBHSA-N 341.451 4.176 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@@H](c2cccc(F)c2F)C1 31820401 WOWBKIHTMJMYGU-CYBMUJFWSA-N 325.318 4.274 0 40 EIAB COc1ccc2c(CC(=O)N3CCSc4ccccc43)coc2c1 32997873 FCZCFLODARQFLB-UHFFFAOYSA-N 339.416 4.123 0 40 EIAB CCc1noc(-c2ccccc2NC(=O)Cc2ccc(Cl)cc2)n1 33012708 YPUUYJPMVZPIEK-UHFFFAOYSA-N 341.798 4.134 0 40 EIAB CCO[P@](C)(=O)[C@@H](C(N)=O)c1csc2ccc(Cl)cc12 36377911 VGOZVZRZLDCLIO-BLVKFPJESA-N 331.761 4.026 0 40 EIAB Cc1nc2sccn2c1CNCc1cccc(C(F)(F)F)c1 40088646 SFQYRTDUVMKKGX-UHFFFAOYSA-N 325.359 4.013 0 40 EIAB Cc1ccccc1C[S@@](=O)Cc1nc(-c2ccc(Cl)cc2)no1 58415851 FEYSNEWJRNSHCS-QHCPKHFHSA-N 346.839 4.147 0 40 EIAB O=C(CCc1ccc(Cl)cc1Cl)NCCCOC1CCCC1 61255995 OBPGQPZQSJPGKL-UHFFFAOYSA-N 344.282 4.392 0 40 EIAB CCN(C(=O)C1CCC1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 65588411 BQRHLWNPQNIVSY-GOSISDBHSA-N 330.378 4.098 0 40 EIAB CC(C)(C)C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 66257732 AMHDYQSDKNMZQA-UHFFFAOYSA-N 342.823 4.160 0 40 EIAB CCOc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 67339547 WPEJRNODTMPALX-PKNBQFBNSA-N 337.375 4.492 0 40 EIAB Cc1cc(N(C)c2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223338 DCOWEDGXIRVWNK-UHFFFAOYSA-N 327.428 4.183 0 40 EIAB Cc1nc(NCc2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224407 BZKAICOEGAXQQA-UHFFFAOYSA-N 327.428 4.027 0 40 EIAB CCN(CC)c1cc(NC(=O)c2cccc(OC)c2)c(Cl)cc1N 72229552 MYKQWVOTPYRDHQ-UHFFFAOYSA-N 347.846 4.029 0 40 EIAB CCc1ccc([C@H]2C[C@@H](C)CCN2c2cc(C)nc(COC)n2)o1 75055716 LRVLVWLKPCWRKN-XJKSGUPXSA-N 329.444 4.064 0 40 EIAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1 78848861 GCDRXYGDMAFIPV-AUUYWEPGSA-N 343.471 4.309 0 40 EIAB Cc1nnc([C@H]2CCCN2Cc2ncc(-c3cccc(Cl)c3)o2)o1 89736297 HHGBNMWAGKTREL-CQSZACIVSA-N 344.802 4.024 0 40 EIAB Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)on1 91684405 HYDZMBOUWKCKQT-OCCSQVGLSA-N 338.329 4.068 0 40 EIAB CC[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 95420840 IDPAVSGUUHVFCG-IRXDYDNUSA-N 344.480 4.107 0 40 EIAB O=C(NOCc1cccnc1)Nc1cccc(-c2cccs2)c1 95467100 NBAVLPZAIUFWPI-UHFFFAOYSA-N 325.393 4.063 0 40 EIAB c1ccc2c(c1)OC1(CCCC1)C[C@H]2NCc1cn2ccsc2n1 95967476 VFFHQRWNHCRVHV-MRXNPFEDSA-N 339.464 4.322 0 40 EIAB Cc1nnc([C@@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 95987516 UYVPWJHRQILOLQ-YMTOWFKASA-N 325.334 4.199 0 40 EIAB Cc1nc(C)c(CNC(=O)Nc2cccc(-c3nccs3)c2)s1 96434231 BHBVOXFFDRXZBC-UHFFFAOYSA-N 344.465 4.205 0 40 EIAB CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c1C 97100091 WJJUUKOXQMUJKJ-MLGOLLRUSA-N 344.459 4.426 0 40 EIAB C[C@H](Nc1cnn(Cc2ccccc2)c1)c1nnc(-c2ccccc2)o1 97377363 TUTFZQHEQYIFEV-HNNXBMFYSA-N 345.406 4.155 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 100286004 IVFTZBNUSRCRLK-QFYYESIMSA-N 326.223 4.309 0 40 EIAB Fc1cccc(Cl)c1[C@H]1C=C(c2ccccc2)Nc2ncnn21 100993530 TZKYVSVLKMTGEL-OAHLLOKOSA-N 326.762 4.127 0 40 EIAB C[C@H]1CC2=Nc3nonc3N[C@H](c3ccc4ncccc4c3)C2=C(O)C1 102602632 XZKYGSHMXHSJRY-DYZYQPBXSA-N 347.378 4.099 0 40 EIAB C[C@@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1nnc(-c2cccs2)o1 108179831 DKSYQFUUULDZSV-VOAKCMCISA-N 332.425 4.229 0 40 EIAB CCCOc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1 218980273 DNFUHDPNFKZNHY-UHFFFAOYSA-N 329.465 4.306 0 40 EIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222823816 DUBVQFOPSKGQRX-IAGOWNOFSA-N 342.512 4.019 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 224198014 BYGZIJGNDZMDDY-QRWLVFNGSA-N 341.451 4.292 0 40 EIAB CC[C@@H]1CCCCN1CCCNC(=O)C1(c2ccccc2)CCCC1 224407662 APBQIQNAPDZCKI-HXUWFJFHSA-N 342.527 4.269 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1 225298589 RWFXAJDCAJXRCA-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)c2cn(C)nc2C)cc1 266731596 BJBGXKNCVIYYGA-DNVCBOLYSA-N 340.471 4.035 0 40 EIAB c1ccc(-c2ccccc2OCc2nnc([C@@H]3CCCOC3)o2)cc1 521393754 XSFASBUKZIEUDP-MRXNPFEDSA-N 336.391 4.210 0 40 EIAB O=C(NCc1ccc(F)cc1)NC[C@@H](c1ccco1)c1cccs1 585146798 QVFYVMQXFZZFFY-HNNXBMFYSA-N 344.411 4.112 0 40 EIAB CC[C@@H]1CCC[C@H]1NC(=O)c1c(C)nc(C(C)(C)C)nc1SC 1525915612 HDELRURETJSJHH-CHWSQXEVSA-N 335.517 4.113 0 40 EIAB CS(C)(=O)=NC(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1616884490 DRHKXZPWYWOHEB-UHFFFAOYSA-N 340.448 4.022 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2ccc3ncsc3c2)cc1C 1625703970 YSVAWUHZKAOOHJ-LBPRGKRZSA-N 326.421 4.104 0 40 EIAB c1ccc2oc([C@H]3CCCN(c4nc5cnccc5s4)C3)nc2c1 1888928862 BZDIWKDIAMLVQN-LBPRGKRZSA-N 336.420 4.217 0 40 EIAB CCN1c2ccccc2N[C@@H]1SCC(=O)Nc1ccc(Cl)cc1 29021 LVVANLHRQSBGKU-KRWDZBQOSA-N 347.871 4.247 0 40 EIAB O=C(NC1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12 217738 WLMYUEHRRUNFQD-UHFFFAOYSA-N 331.419 4.359 0 40 EIAB CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 252971 WIQHAZSFDWVWLK-UHFFFAOYSA-N 340.354 4.419 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(N(CC)CC)cc1C 364248 CKOHXIUUTREXNC-UHFFFAOYSA-N 326.440 4.492 0 40 EIAB Cc1ccc2nc3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 422145 HVFYEZIYABLHON-UHFFFAOYSA-N 340.433 4.049 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1ccc(F)cc1 501022 LQXXVVKBAWKIBA-IBGZPJMESA-N 344.345 4.145 0 40 EIAB CCC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 560797 GBTILHORNFVBNW-UHFFFAOYSA-N 334.419 4.490 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 1852988 MAGNAWYRFCKWST-UHFFFAOYSA-N 330.384 4.475 0 40 EIAB Fc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2471858 DOUNKNPLRLVWTH-GJZGRUSLSA-N 346.768 4.356 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COc2cnc3ccccc3n2)cc1 2618860 PSQJMXDEVAEKKS-CQSZACIVSA-N 335.407 4.161 0 40 EIAB O=C1N(c2ccccc2)c2ccc3ccccc3c2[C@]1(O)C(F)(F)F 3163919 KDKRGFAUAWGRBG-GOSISDBHSA-N 343.304 4.268 0 40 EIAB CCN(CC)c1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)c(C)c1 4062327 LGPDRURHCYNKRZ-UHFFFAOYSA-N 349.434 4.144 0 40 EIAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccs2)cc1 4854553 BTSXBDYULTXUBZ-GOSISDBHSA-N 337.448 4.495 0 40 EIAB CCCOC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 5003767 FBPVNUXEOLYWAC-GHRIWEEISA-N 343.810 4.064 0 40 EIAB C[C@@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1 5348061 RTOVSWPWNYKPES-CUWPLCDZSA-N 331.500 4.061 0 40 EIAB COc1ccc(-c2nonc2NC(=O)c2cccc3ccccc23)cc1 5484595 ZJZVMXPZFAQCRV-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB COc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1OC 5626772 CFINCZGASYJGEX-UHFFFAOYSA-N 339.416 4.227 0 40 EIAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 5704502 AVZYYTNPNSLGHX-UHFFFAOYSA-N 331.799 4.340 0 40 EIAB CCc1cccc(C)c1NC(=O)CCCOc1ccc(OC)cc1 5717539 RSMUVZFMNKSKJT-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F 5862055 XWSXRWOFKLVRPU-QMMMGPOBSA-N 329.705 4.163 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1N1CCCC1 7107174 JNEBLBSRKFLXOH-UHFFFAOYSA-N 332.806 4.261 0 40 EIAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)c2ccccc2)o1 7115498 FMUSUEOMDXOEPX-UHFFFAOYSA-N 346.390 4.336 0 40 EIAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2)CSC3)c1 7319129 DJXXRTDKQJWWAL-UHFFFAOYSA-N 335.432 4.180 0 40 EIAB Cc1ccccc1OCc1nc(-c2cccc(Br)c2)no1 7781216 HQPINZHAECQGSU-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 7791226 KUPTVHLLHMCCDZ-ZDUSSCGKSA-N 331.437 4.206 0 40 EIAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC3CC3)cc12 7952768 SWWDANGPSVLCOE-UHFFFAOYSA-N 345.855 4.000 0 40 EIAB Cc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1F 8260153 NPEXKQVQXQRSDI-UHFFFAOYSA-N 346.745 4.195 0 40 EIAB Cc1ccc(-n2nc(C)cc2NC(=O)CSC2CCCCC2)cc1 8517202 GNJPQJVZNOLSGV-UHFFFAOYSA-N 343.496 4.494 0 40 EIAB CCC(=O)N1CCCc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 8768604 XXJHWJBPYLOFEM-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc(O)cc1 9423759 AHRGUEITLCDDCV-LJQANCHMSA-N 334.350 4.302 0 40 EIAB Cc1ccccc1/C=C/C(=O)N1CCC(C(=O)c2ccccc2)CC1 9987874 DOPVNBCDFLDSHU-VAWYXSNFSA-N 333.431 4.130 0 40 EIAB CC(C)c1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11154274 XQSZJRWJQWQNIH-IBGZPJMESA-N 326.415 4.381 0 40 EIAB O=C(c1ccc2c(c1)OCCCO2)c1cc2cc(Cl)ccc2o1 11164432 IDBRBWLRHPRGAX-UHFFFAOYSA-N 328.751 4.479 0 40 EIAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 11595030 JZKRVLPBJJXOTK-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB O=C(Cc1ccsc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188112 AYFXDSNXCQGLJJ-GOSISDBHSA-N 336.460 4.245 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1ccncc1 12322482 DDYBCUCKUAMPCL-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 12583659 WKTMUBUEIHTSII-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB CCCc1n[nH]c(SCc2csc(-c3ccc(F)cc3)n2)n1 12917467 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CCOc1cccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 20457635 QYGXWEGHIAEYQY-UHFFFAOYSA-N 347.842 4.051 0 40 EIAB CN(C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccccc1 23175274 MERHYELYDBADBG-UHFFFAOYSA-N 343.386 4.409 0 40 EIAB COc1cccc([C@H](CNc2nc3ccccc3s2)N(C)C)c1 25371216 OCJWDVJRDLSORR-INIZCTEOSA-N 327.453 4.020 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)c2cnc3onc(C)c3c2)CC1 26895986 RKKSVSVKGNJLKE-UHFFFAOYSA-N 329.444 4.256 0 40 EIAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 28244998 GNVNFLOYMHMAMW-QZTJIDSGSA-N 335.382 4.062 0 40 EIAB CC(C)c1cccc(NC(=O)COC(=O)Cc2ccccc2Cl)c1 29365795 RVEVRNKUFUIZLZ-UHFFFAOYSA-N 345.826 4.188 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 30862420 GBUZGNZPDBICFY-IRXDYDNUSA-N 341.451 4.347 0 40 EIAB COCc1cccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1 31620766 QIWDRQVYJUZUHO-UHFFFAOYSA-N 338.451 4.071 0 40 EIAB CCCc1nc(CSc2nnc(NC(C)(C)C)s2)cs1 32777244 BSRGMULDLPHIJP-UHFFFAOYSA-N 328.532 4.450 0 40 EIAB Cc1c([C@H](C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)oc2ccccc12 46650270 FZWFSKOUZQJNBU-BBRMVZONSA-N 348.402 4.044 0 40 EIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1(C)CCCC1 48286257 QGJHSGMGZCENSM-UHFFFAOYSA-N 345.874 4.134 0 40 EIAB Clc1ccc(-c2cnc(CN3CCO[C@@H]4CCCC[C@@H]43)o2)cc1 51995239 FYBQSDNNYKDTNR-JKSUJKDBSA-N 332.831 4.138 0 40 EIAB CN(C)Cc1ccc(CN(C)C(=O)Nc2ccccc2Cl)cc1 58265399 DZSIXKJAPSCDFC-UHFFFAOYSA-N 331.847 4.066 0 40 EIAB CCc1nnc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)s1 67339256 BTQSUZAQUDFZLE-GQCTYLIASA-N 333.800 4.152 0 40 EIAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1cccc(F)c1 71279342 XCDDNUZGQIZUBF-UHFFFAOYSA-N 332.338 4.016 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 72273871 ZJRTUZYOHIHLBJ-ZACQAIPSSA-N 326.465 4.309 0 40 EIAB CC(=O)Nc1ccc(F)c(C(=O)N2CCCC3(CCCCCC3)C2)c1 76067114 XNQPXKNQUYHDKN-UHFFFAOYSA-N 346.446 4.361 0 40 EIAB COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1-c1ccccn1 89466099 KERKMFHUCZQRHT-SFHVURJKSA-N 348.402 4.328 0 40 EIAB CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Br)cc1 95496282 FYUIUSMSCJVHEU-UHFFFAOYSA-N 344.256 4.421 0 40 EIAB CC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1 95946142 BGQHNHMARIGXFQ-KRWDZBQOSA-N 343.224 4.147 0 40 EIAB CS[C@@H](CNC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 95957616 MWAPJJARYYFAFD-ZDUSSCGKSA-N 339.848 4.171 0 40 EIAB COc1ccc([C@@H](C)NC[C@@H](C)Cc2cccs2)cc1NC(C)=O 95968547 RUMQEPFCFYFTMR-UONOGXRCSA-N 346.496 4.245 0 40 EIAB O=C(O)c1ccccc1CCC(=O)N1CCCCC[C@@H]1c1ccco1 97039168 FYWLKDIMTAVZET-QGZVFWFLSA-N 341.407 4.054 0 40 EIAB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(CC)cc1 97105876 ZZZMJOOFQYBVTF-HXUWFJFHSA-N 336.435 4.345 0 40 EIAB O=C(CCn1ccc2c(Cl)cccc21)NC[C@H]1C[C@H]2C=C[C@H]1C2 101729092 OAUQYNNDDHBWLQ-SOUVJXGZSA-N 328.843 4.013 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCCCc1ccc(Cl)cc1 223147550 XFKWFBPBWSHOOW-UHFFFAOYSA-N 340.225 4.424 0 40 EIAB COc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1Cl 223276800 BGYWTZNBAKDEHB-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccccc2F)cc1 225446939 MHMBPTSQNFXZOF-LJQANCHMSA-N 329.415 4.280 0 40 EIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225610409 JBVCHYTWWWWVAK-FQEVSTJZSA-N 327.424 4.409 0 40 EIAB O=C(Cc1cccc(Br)c1)N[C@@H]1CCCc2ccccc21 225617744 HWOJZSNEJHJTML-QGZVFWFLSA-N 344.252 4.185 0 40 EIAB COc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(F)(F)F 225804836 XDLYBVDAPCBXMJ-UHFFFAOYSA-N 331.334 4.002 0 40 EIAB O=C(c1ccccc1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 257230381 GCBRIKWLZZWQFO-FQEVSTJZSA-N 335.447 4.256 0 40 EIAB Cc1cnc([C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)s1 257285042 PFJPGSSYCDDVKD-AWEZNQCLSA-N 337.448 4.020 0 40 EIAB CC[C@H]1C[C@@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 585124415 CIKSWPBLUWUOOQ-GJZGRUSLSA-N 328.412 4.184 0 40 EIAB C[C@@H]1CCN(C(=O)NCC2(c3ccccc3)CCC2)CC12CCC2 1666305416 ZBIGIEKNDUVCOL-QGZVFWFLSA-N 326.484 4.330 0 40 EIAB Cc1cc(Br)ccc1OCc1nc(-c2ccccc2)no1 205814 GPCRTMUTSKHXNZ-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB CC(C)CNC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2 381095 MPLIECHZNIUSQA-UHFFFAOYSA-N 330.431 4.386 0 40 EIAB O=C(NCc1ccncc1)[C@H](Sc1ccccc1)c1ccccc1 484121 ZSUZRAOVNRYTNE-LJQANCHMSA-N 334.444 4.231 0 40 EIAB Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)cc1 549195 WWIISNQHOLAVGS-UHFFFAOYSA-N 328.372 4.297 0 40 EIAB CCc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 577726 DSIMABKEKXIXLN-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc3ccccc23)c1 1943785 BGKICZUPDPKQOT-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB CSc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 3236342 ONXARZBWFHVARU-UHFFFAOYSA-N 337.448 4.463 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 3548939 PYPQEMKIKVCNPB-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl 4190210 IGKQPJVQCMQKCX-UHFFFAOYSA-N 343.858 4.027 0 40 EIAB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 5507671 RQYUGMRINWAMPF-HNNXBMFYSA-N 337.419 4.414 0 40 EIAB c1ccc(OCC2=NNC(c3ccccc3)=Nc3ccccc32)cc1 5515911 WKQFNHARYALASB-UHFFFAOYSA-N 327.387 4.151 0 40 EIAB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)c2ccccc2C1=O 5699074 GQRDJUQJWCVCQH-LJQANCHMSA-N 341.366 4.486 0 40 EIAB Cc1ccc(C(=O)CCCCC(=O)c2ccc(C)cc2O)c(O)c1 5927745 BWGCMABOCCPACW-UHFFFAOYSA-N 326.392 4.341 0 40 EIAB O=C(COCc1nc2ccccc2s1)Nc1ccc(Cl)cc1 6789054 KWTFSBOXQCMPEW-UHFFFAOYSA-N 332.812 4.105 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(F)c(F)cc1Cl 6935853 POPJVADIHXVTEE-UHFFFAOYSA-N 334.753 4.072 0 40 EIAB Cc1cccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 6989052 GNYBGCKDYNJDDF-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB CCCCNCc1cc(Br)c(OCC)c(OCC)c1 7261623 JXKOCWOZPAOAOU-UHFFFAOYSA-N 330.266 4.136 0 40 EIAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(C)c(C)c3)cccc2n1 7388548 NUGMPLPACDQZEQ-UHFFFAOYSA-N 349.459 4.287 0 40 EIAB O=C(CCc1ccccc1F)Nc1ccc2c(c1)OC1(CCCC1)O2 8429269 GZDUTNMDGGMLBK-UHFFFAOYSA-N 341.382 4.439 0 40 EIAB O=C1Oc2nc3ccccc3cc2CN1CCc1ccc(Cl)cc1 12236758 XLXISYKQEQHUJF-UHFFFAOYSA-N 338.794 4.445 0 40 EIAB O=C(NC(=S)Nc1ccccc1)C12CC3C[C@H](CC[C@H](C3)C1)C2 12436590 IOYIAMZZQINITQ-WWMCIYDGSA-N 328.481 4.106 0 40 EIAB Cc1occc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 12597944 PBKOLWPJRWUDQU-UHFFFAOYSA-N 335.407 4.379 0 40 EIAB C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)[C@@H]1CCCO1 12929923 YQLNPRVKGHYXJQ-LRDDRELGSA-N 325.437 4.338 0 40 EIAB O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 13388853 CICXYBUCWMRUSW-LLVKDONJSA-N 344.219 4.001 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 16129602 MOJGGLWPDVTNGO-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@H]2Cc3ccccc3S2)cc1 21396393 NZXVBMKBLLLFLY-GOSISDBHSA-N 343.517 4.061 0 40 EIAB O=C1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2N1 21891893 DBHUFHXIZATWGU-NSHDSACASA-N 335.190 4.058 0 40 EIAB CCn1c2ccccc2c2cc(N[C@H](C(N)=O)c3ccccc3)ccc21 26159959 PVRLFIRZVIXZQC-NRFANRHFSA-N 343.430 4.453 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc1 27664015 JAECINCSXZXFPR-UHFFFAOYSA-N 338.432 4.064 0 40 EIAB CCc1ccc(NC(=S)N2C(=O)CSc3ccccc32)cc1 28527731 ZZAXMGSUAQMYAE-UHFFFAOYSA-N 328.462 4.085 0 40 EIAB COc1ccccc1-c1cc(C(=O)Nc2cnc3ccccc3c2)no1 30038453 PSXLLHABWUWCCI-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CCOc1cccc(CNC(=O)CSCc2ccccc2Cl)c1 30857268 DUQFYJRTJNEFHK-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB CSc1nc(C)c(CC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)s1 37171286 QZXPBCCTDKQXRR-QWHCGFSZSA-N 340.558 4.437 0 40 EIAB Cc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39752712 HLCMQOGUABAKTG-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB CC(C)(C)c1nnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 40156992 JWRZVSDDKRQWAN-UHFFFAOYSA-N 343.374 4.036 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 40817742 BBYHPZRCPSVUFM-QGZVFWFLSA-N 341.361 4.209 0 40 EIAB O=C(Nc1cccc(Oc2ncccn2)c1)N1CCCCCCC1 44245678 WMIZCQXUAUXFRU-UHFFFAOYSA-N 326.400 4.067 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)c(OC)c1 44847681 CAQFIWPCHUTBOP-INIZCTEOSA-N 343.423 4.117 0 40 EIAB Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2F)no1 45948158 VPIKRHOTNKKIDR-UHFFFAOYSA-N 343.383 4.062 0 40 EIAB Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 57340144 KDTBNMKTSMWNSJ-UHFFFAOYSA-N 341.208 4.437 0 40 EIAB COc1ccc(CN(C)Cn2ccn(C(C)(C)C)c2=S)cc1F 58175062 ALSCTNFIENKXKM-UHFFFAOYSA-N 337.464 4.011 0 40 EIAB Clc1ccc(-c2nc(CN3CCC(c4cc[nH]n4)CC3)co2)cc1 58251506 PUGZLEUJJNRUFE-UHFFFAOYSA-N 342.830 4.098 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)N1CCc2ccccc21 58377879 HAPPCLBVNWAWQH-GOSISDBHSA-N 340.854 4.066 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351954 VRGATOQOKUFIIC-ACJLOTCBSA-N 347.842 4.383 0 40 EIAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1C(F)(F)F 67173465 ZDPZJDZVNAEGBB-CVEARBPZSA-N 349.352 4.006 0 40 EIAB O=C(Nc1cccc2ccccc12)N1CCC(Nc2cccnc2)CC1 70007667 PDRRLRRUCLEPQN-UHFFFAOYSA-N 346.434 4.343 0 40 EIAB CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 72232230 LRDOKESKKGJKOW-WBVHZDCISA-N 341.455 4.093 0 40 EIAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(F)ccc2Cl)c(C)c1 72330117 ZQMZGXIBTIHTOV-UHFFFAOYSA-N 349.789 4.200 0 40 EIAB Cc1csc([C@H](NC(=O)NC2(c3cccc(F)c3)CC2)C2CC2)n1 74666618 USXAHOGVNZLEMP-OAHLLOKOSA-N 345.443 4.030 0 40 EIAB Cn1ccc2c(NC(=O)CCc3ncc(-c4ccccc4)o3)cccc21 79492329 VVPPYQRUBSZUIS-UHFFFAOYSA-N 345.402 4.405 0 40 EIAB Cc1cnc(C[S@](=O)Cc2ccccc2Oc2ccccc2)o1 85223886 NEXWUDIVZJGGLR-QHCPKHFHSA-N 327.405 4.224 0 40 EIAB COc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c2cccnc12 89438446 XHRDXRGAPOMPCO-QGZVFWFLSA-N 348.406 4.007 0 40 EIAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1csc2ccccc12 89949168 LVMIZPMQTHWYJW-KSSFIOAISA-N 342.508 4.028 0 40 EIAB CCn1ccc2ccc(NC(=O)NCCCc3c(C)noc3C)cc21 96461007 FGRNGLLEWNAXJP-UHFFFAOYSA-N 340.427 4.020 0 40 EIAB Cc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccco4)C3=C(O)C2)cc1 102581943 YCFGNBLDKQAEFH-IFXJQAMLSA-N 346.390 4.245 0 40 EIAB CC(C)c1nc(CNC(=O)c2ccc(F)cc2C(F)(F)F)cs1 123786353 PZCKWQICHWAUMM-UHFFFAOYSA-N 346.349 4.354 0 40 EIAB CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccccc1 216274224 HLVORTFNJXYSLM-IBGZPJMESA-N 327.424 4.122 0 40 EIAB Cc1cccc(C(=O)Nc2cc(N3CCC[C@H](C)C3)c(C)cc2N)c1 216867039 YOTRIARCQQYBMP-HNNXBMFYSA-N 337.467 4.374 0 40 EIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222859105 ZJCFISJJUORPEJ-ZIAGYGMSSA-N 337.901 4.179 0 40 EIAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 223386157 BMGHUKZTPAAIOX-UXBLZVDNSA-N 329.827 4.165 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C 224369365 FCMDCKWFPLIQLO-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224927509 PYOZRGCYQDDJMF-HXUWFJFHSA-N 338.451 4.391 0 40 EIAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 224999189 RWETVTDKUZMSES-UHFFFAOYSA-N 330.815 4.041 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1C 225135374 HSZGARRXLSHXNO-UHFFFAOYSA-N 335.762 4.217 0 40 EIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc(Cl)c2)c1 226254956 IRMLCBUQLACUBX-UHFFFAOYSA-N 329.831 4.165 0 40 EIAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccco1 408563406 VSDROIDYXGTXLS-ZPHPHTNESA-N 330.384 4.018 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccccc1Br 575611860 YQOUFRCCKVFYMI-UHFFFAOYSA-N 346.180 4.232 0 40 EIAB O=C(Cc1ccccc1Cl)N1CCc2sc(Cl)cc2C1 575615908 JELRDNIDMDHTHG-UHFFFAOYSA-N 326.248 4.182 0 40 EIAB CC1=N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)O1 44183 TXTVLGSZSZZJPO-MHWRWJLKSA-N 327.767 4.235 0 40 EIAB CCOc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O 70771 PBPVVDCDIRQTTG-RVDMUPIBSA-N 327.767 4.083 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 288465 QHAYSFXSECJARX-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1 381965 RWGMDOAOBUVNIK-IBGZPJMESA-N 333.366 4.300 0 40 EIAB O=c1[nH]c(NC2CCCCC2)nc2scc(-c3ccccc3)c12 388019 ZLGJCDUAAHQTKI-UHFFFAOYSA-N 325.437 4.396 0 40 EIAB Cc1ccc2nc3sc(C(=O)NC4CCCC4)c(N)c3cc2c1 416724 NMIOMLSPRNNYTN-UHFFFAOYSA-N 325.437 4.013 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 429429 GGTGHPYHCAKKCZ-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 502383 TVVFAYLIPDIJIU-FOCLMDBBSA-N 345.446 4.421 0 40 EIAB COc1ccc(Cc2nc(-c3cc(C)nc4ccccc34)no2)cc1 1426590 ZTCXZFQMFJXLMJ-UHFFFAOYSA-N 331.375 4.193 0 40 EIAB CCCCCCOC(=O)CSc1nnc(-c2ccccc2)s1 1907261 KCAGCYIZMWSZMC-UHFFFAOYSA-N 336.482 4.421 0 40 EIAB CC(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2C)c1 1914116 RCTMVUGNUHRPIL-UHFFFAOYSA-N 325.408 4.304 0 40 EIAB COc1ccccc1CCC(=O)c1ccc(Br)cc1F 2516475 VEGUHSHPMFTMMO-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccnc1SC 2662493 FXXALLQXMHEMBX-UHFFFAOYSA-N 330.453 4.362 0 40 EIAB O=S(=O)(Nc1cccc(Oc2ccccc2)c1)c1ccccc1F 3329012 RSEYFFIHJGNJAF-UHFFFAOYSA-N 343.379 4.419 0 40 EIAB COc1ccc(Nc2ccc(-c3ccccc3F)nn2)c(OC)c1 4092603 NGEJVYPDPMFJJA-UHFFFAOYSA-N 325.343 4.044 0 40 EIAB Cc1ccc2sc(NC(=O)c3ccc(N(C)C)cc3)nc2c1C 4189974 YEJUNEXNPXLFMJ-UHFFFAOYSA-N 325.437 4.231 0 40 EIAB Cc1cc(Br)ccc1OCc1nnc(-c2ccccc2)o1 4657198 IJVPJTOXPCCXSG-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB Cc1cc(-c2ccccc2)nc(S[C@@H](C(=O)O)c2ccccc2)n1 5256978 UFEIWPLHGOHKFM-QGZVFWFLSA-N 336.416 4.370 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NC(=O)/C=C/c1ccccc1 6483632 ZECDXOUDCHYBNM-ZHACJKMWSA-N 330.840 4.175 0 40 EIAB COc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 6938330 SUZRNJXLAUXSFS-UHFFFAOYSA-N 343.854 4.477 0 40 EIAB Cc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1Cl 7027257 BIQNQQVPGKJDBG-UHFFFAOYSA-N 339.936 4.057 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CSc1nc(C)c(C)c(C)n1 7252566 CPKBCZQQUKTVKT-UHFFFAOYSA-N 335.860 4.094 0 40 EIAB CCCn1c(NC(=O)c2ccc3ncsc3c2)nc2ccccc21 7738744 OZTJXFBIVBDAFC-UHFFFAOYSA-N 336.420 4.308 0 40 EIAB CN(CCOc1cccc(Cl)c1)C(=O)c1cc2ccccc2o1 8116463 YEIDGHRDSHJGMZ-UHFFFAOYSA-N 329.783 4.237 0 40 EIAB CC(C)c1nccn1S(=O)(=O)c1ccc(Cl)c2ccccc12 9061887 KKDHBUACDBNZCD-UHFFFAOYSA-N 334.828 4.050 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccc(SC(F)(F)F)cc1 9336027 WYGXVKVFHMQZGP-UHFFFAOYSA-N 345.371 4.280 0 40 EIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c12 10641788 PYEWYBZTDQLJHB-UHFFFAOYSA-N 342.402 4.196 0 40 EIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cccc2ncccc12 11759703 TXKZWFSQVSSSBT-KRWDZBQOSA-N 337.448 4.072 0 40 EIAB O=C(Cc1ccsc1)Nc1ccc(-c2cn3ccccc3n2)cc1 12601252 FXMYNVSLIOPICE-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB Cc1cccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 12609104 SAYXQLUAHDXGBH-UHFFFAOYSA-N 337.404 4.193 0 40 EIAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H]3CCCC3=O)n2n1 12629026 TWSJWSLDHPNTON-INIZCTEOSA-N 337.448 4.227 0 40 EIAB Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCCC2)c1 12782223 UASGSKCAXINGKU-PXNSSMCTSA-N 337.467 4.342 0 40 EIAB O=C(NCCc1cccc2cccnc12)c1cc2ccccc2s1 12886252 YSNITEPTWIIYNW-UHFFFAOYSA-N 332.428 4.422 0 40 EIAB CC(C)[C@H](NC(=O)CSc1ccccc1C(=O)O)c1cccs1 12916962 XTDRUFBEWSOALI-INIZCTEOSA-N 349.477 4.052 0 40 EIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13672272 RQLGPPHBJIPEMS-AWEZNQCLSA-N 347.480 4.032 0 40 EIAB CCCCCc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1 15741289 WCBRTMRHLBRXQC-UHFFFAOYSA-N 338.451 4.178 0 40 EIAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC2)c1 17356267 IXVJNZAWSOWHIM-UHFFFAOYSA-N 331.419 4.084 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc2[nH]cnc2c1 18211311 ADMQKHKTMSNJQW-GOSISDBHSA-N 333.416 4.144 0 40 EIAB CCc1ccc(OCCNc2ccc(OC[C@H]3CCCO3)cc2)cc1 19738229 XAKNQACDELNILW-OAQYLSRUSA-N 341.451 4.298 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C 20450960 DFIGXKLHYYXWTP-GUYCJALGSA-N 329.827 4.475 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSc1ccc(C)cc1 22512476 IVOMCMCWNRUBRD-GOSISDBHSA-N 343.492 4.369 0 40 EIAB COc1cc(C(C)=O)ccc1OCc1csc(-c2ccco2)n1 22518130 PJDABEOHQVGIPO-UHFFFAOYSA-N 329.377 4.193 0 40 EIAB O=C(CCCSc1nnc(NC2CC2)s1)c1ccc(F)cc1 23291663 STDCHJBUYKJDTK-UHFFFAOYSA-N 337.445 4.007 0 40 EIAB CC(=O)Nc1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1 24248139 LFFUBEHQZWAIFT-UHFFFAOYSA-N 326.327 4.018 0 40 EIAB Cc1cc(OS(=O)(=O)c2c(C)noc2C)c(C(C)C)cc1Cl 25652055 BQGFUJWWQIZCGQ-UHFFFAOYSA-N 343.832 4.144 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1ccc(F)c(F)c1F 28210591 QVVOZMRHZFWWRH-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3[nH]2)no1 29249862 CEGUZWIJJLUFSJ-MRXNPFEDSA-N 329.787 4.095 0 40 EIAB CN(CN1C(=O)c2cccc3cccc1c23)[C@H]1CCc2ccccc21 29309443 WXPZISIPWVLLEA-IBGZPJMESA-N 328.415 4.377 0 40 EIAB Cc1c(-c2csc(CCN3CCCC3=O)n2)sc2ccccc12 30447673 AMIVGUSRMPLHGI-UHFFFAOYSA-N 342.489 4.498 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 30751088 GLQBNWCPLJQVAK-CQSZACIVSA-N 331.843 4.328 0 40 EIAB Cc1cc(C(=O)NCCc2ccccc2)c(C)n1Cc1ccccc1 32737965 NMMJGBROJVZLMW-UHFFFAOYSA-N 332.447 4.126 0 40 EIAB COC(=O)c1ccoc1COC(=O)c1oc2c(Cl)cccc2c1C 32894862 QQJCTMZKVKKWAG-UHFFFAOYSA-N 348.738 4.131 0 40 EIAB O=C(OCc1coc(-c2ccccc2)n1)c1cccc(OC(F)F)c1 35337416 LQTWWEIJIMCRKS-UHFFFAOYSA-N 345.301 4.300 0 40 EIAB Cc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)s1 36366071 JJWRODXKHVHMKA-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccco1 39978546 XMWLUHQDAGOLQA-UWVGGRQHSA-N 328.195 4.231 0 40 EIAB CCCOc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 40079998 NNFBWMLNVQZWLC-UHFFFAOYSA-N 334.419 4.447 0 40 EIAB CC(C)Oc1cccc([C@H](C)NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 40536027 KHYKHFFUNHSGQR-QTXGHNMQSA-N 343.467 4.046 0 40 EIAB c1csc(CN(Cc2cccc3cccnc23)C[C@@H]2CCCO2)c1 55527838 GHBSLMGTYVRKPV-SFHVURJKSA-N 338.476 4.478 0 40 EIAB CCOC(=O)CCCCCCNC(=O)N[C@H](c1ccccc1)C(C)C 58167251 LRUVZKALABAWOL-IBGZPJMESA-N 348.487 4.197 0 40 EIAB CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1OCC 59291969 MKSNQRXAFGWUDY-UHFFFAOYSA-N 348.830 4.459 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351378 MEDQWOZACAXPAA-KXBFYZLASA-N 329.415 4.477 0 40 EIAB O=C(O)c1cc2c(Br)cccc2n1Cc1ccccc1 67800380 XJFZOSCEUCXCBE-UHFFFAOYSA-N 330.181 4.150 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1scnc1-c1ccc(F)cc1 71185571 CZUQWZGYMMMRQW-SECBINFHSA-N 345.399 4.296 0 40 EIAB CCc1ccc(C(=O)Nc2cc(N3CCCC3)c(N)cc2Cl)cc1 72229186 OJJDVOHKJAYMFL-UHFFFAOYSA-N 343.858 4.337 0 40 EIAB CCC(CC)N(CC(C)C)C(=O)CCc1ccc(OC)c(OC)c1 72312789 ZQSSNHVPSSBJHP-UHFFFAOYSA-N 335.488 4.310 0 40 EIAB O=C(c1csc2c1CCCC2)N1CCC(c2ccncc2)CC1 72346592 XFGZRFCBLQBEPD-UHFFFAOYSA-N 326.465 4.042 0 40 EIAB Cc1cnc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)o1 72610458 HSQSIZRMYSUSEW-UHFFFAOYSA-N 340.354 4.058 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ncc[nH]1 95467289 PHRPHYQMXHJBKT-LBPRGKRZSA-N 325.199 4.086 0 40 EIAB Cc1nc(-c2ccc(NC(=O)[C@@H]3OCCc4ccccc43)cc2)oc1C 95972774 IJJUQJRYVHPFBN-LJQANCHMSA-N 348.402 4.211 0 40 EIAB Cc1cccc2nc(CSCc3csc([C@@H]4CCCO4)n3)cn12 96008433 LIAHNMYMRJPZST-HNNXBMFYSA-N 345.493 4.384 0 40 EIAB O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 96407213 DPRPQJGLCNGKOX-CVEARBPZSA-N 349.421 4.019 0 40 EIAB O=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 100702183 SHODEKNQDYLGMS-LBPRGKRZSA-N 334.202 4.116 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(F)cc2)cc1 222783537 QITIMWGVYXJOQH-IBGZPJMESA-N 345.414 4.117 0 40 EIAB C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223200875 SSTCBPFGPUZYIV-CYBMUJFWSA-N 349.883 4.009 0 40 EIAB COc1ccc(CC(=O)NCCCc2cccc3ccccc23)cc1C 223274088 HRPIQOWKCYYCGA-UHFFFAOYSA-N 347.458 4.448 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC[C@@H](C)c1ccccc1 224470905 ZZANQUBCXMXUBD-IEBWSBKVSA-N 325.452 4.381 0 40 EIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c1C 225468603 CGTCDGZJUSKFEQ-CQSZACIVSA-N 342.464 4.138 0 40 EIAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1 225471561 DVSRIRBHQBBLDY-UHFFFAOYSA-N 349.228 4.340 0 40 EIAB Cc1cccc(C)c1NC(=O)c1snnc1-c1ccc(F)cc1 225777908 RKZWJFSNSZIKSC-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB CC(C)(C)OC(=O)N1[C@H](c2ccc(Cl)cc2)CCC[C@@H]1C(=O)O 226076900 NPRKYUDASVOQTF-UONOGXRCSA-N 339.819 4.255 0 40 EIAB Cc1nc(-c2ccccc2)sc1CSCc1ncnn1CCF 252489124 JGAHNYXQMAHHFH-UHFFFAOYSA-N 348.472 4.113 0 40 EIAB Cc1noc(C)c1-c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)n1 257229275 FXKYUBQXOSTZJN-AWEZNQCLSA-N 335.407 4.187 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 408978607 JIQWINDOUSJODH-MRXNPFEDSA-N 346.814 4.156 0 40 EIAB C[C@H]1C[C@@H](C)C[C@H](NC(=O)NCCc2ccccc2C(F)(F)F)C1 1563771438 VOCGVKGRLYFWRR-NHAGDIPZSA-N 342.405 4.372 0 40 EIAB CC(C)(C)c1ccc(CSc2nnnn2-c2ccccc2F)cc1 359353 WMIZTUQKVAYYJT-UHFFFAOYSA-N 342.443 4.391 0 40 EIAB CC(=O)Oc1ccc(C)c2c1[C@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 518737 RNKRHMVSDHMQGT-OPOADAIRSA-N 326.436 4.346 0 40 EIAB COc1ccc(NC(=O)C(F)(F)Oc2ccc(Cl)cc2C)cc1 1396709 LVEULINUEVWRIE-UHFFFAOYSA-N 341.741 4.267 0 40 EIAB C[C@@H](COC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1)CN1CCCC1 1683455 LOROOXLFVZBGQW-HLAWJBBLSA-N 341.495 4.402 0 40 EIAB O=C1C(c2c[nH]c3ccccc23)=Nc2ccc(Br)cc21 1686258 STDZECLKFANVPN-UHFFFAOYSA-N 325.165 4.248 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccccc2OC)c(OC)cc1Cl 1924752 JUBHMDGIGTUIAB-CMDGGOBGSA-N 347.798 4.018 0 40 EIAB Brc1ccc(CSc2ncn(-c3ccccc3)n2)cc1 2124132 DNOOKRQENBYDHO-UHFFFAOYSA-N 346.253 4.322 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)c1 3477196 BJALKKHVODAGFF-UHFFFAOYSA-N 343.854 4.279 0 40 EIAB NC(=O)c1c(Nc2nc3c(F)cccc3s2)sc2c1CCCC2 4137678 ISVCRFIVDJABDB-UHFFFAOYSA-N 347.440 4.218 0 40 EIAB Cc1ccc(N2C(=O)S[C@H](Nc3cc(C)ccc3C)C2=O)cc1 4151298 RSWIVPJRAKQCCF-INIZCTEOSA-N 326.421 4.250 0 40 EIAB Cc1ccc(Cl)cc1-n1ncc2c(NCc3ccccc3)ncnc21 4354827 ODOQUZDGZLFOOD-UHFFFAOYSA-N 349.825 4.389 0 40 EIAB Cc1ccc(CSc2nnc3ccc(-c4cccs4)nn23)cc1 4376855 YNNFFMVZPXMIPH-UHFFFAOYSA-N 338.461 4.454 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Br)c1 4549517 BBHRJCRWIBSMRY-CYBMUJFWSA-N 348.240 4.014 0 40 EIAB C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccccc2)cs1 5622334 HKTYKFGNYVZDGT-GFCCVEGCSA-N 341.461 4.324 0 40 EIAB O=C(Nc1ncc(-c2ccccc2)s1)c1cc(=O)c2ccccc2o1 6496233 YNCBZNIAKYQWBP-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB CCCOc1ccc([C@@H](CN)c2c[nH]c3ccccc23)cc1OCC 6645702 NYFBITYSOMRRBO-QGZVFWFLSA-N 338.451 4.446 0 40 EIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1CCCCC1 6908526 HVMTWTJJQNWWIV-SNVBAGLBSA-N 337.876 4.146 0 40 EIAB COc1cccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 6978109 YXGKVVDMKSFLID-NEQMZLFVSA-N 344.414 4.009 0 40 EIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(C)sc2C)c(C)c1 8055325 MLFYTHZODWUGJR-UHFFFAOYSA-N 344.480 4.001 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)C3CC3)cccc2c1=O 8327838 YDGDLLRPILTZNN-AWEZNQCLSA-N 347.414 4.297 0 40 EIAB COc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8497310 OEIYAWJDENSTAW-OSONQDNFSA-N 329.484 4.398 0 40 EIAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN1CCCCC1 8717966 DCDRNWNBEAZLNL-UHFFFAOYSA-N 328.456 4.270 0 40 EIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1CCCCCCC1 9691529 HTRCLGVQVNJGMD-UHFFFAOYSA-N 328.460 4.163 0 40 EIAB O=C(c1ccccc1F)N1CCC(c2onc3c2CCCCC3)CC1 12119954 MBIOBMMFRQOZAF-UHFFFAOYSA-N 342.414 4.102 0 40 EIAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)C(C)C)no2)cc1 12185466 YAEZXQFFHBKMFB-SFHVURJKSA-N 342.439 4.450 0 40 EIAB Fc1cccc(CN2CCC(c3cc4ncccc4cn3)CC2)c1F 12188686 QDRYXPITRZXPMT-UHFFFAOYSA-N 339.389 4.288 0 40 EIAB Cc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 12892585 KBYKNKHESUWQSV-GOSISDBHSA-N 325.408 4.114 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCCCC1 13716949 JVIVNWGNWAMNGK-UHFFFAOYSA-N 328.456 4.222 0 40 EIAB O=C1CCCN1c1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 19657875 GQMKTDLEJLZRQW-FQEVSTJZSA-N 338.426 4.290 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 21836666 IODCVGYSZQVVMD-ACJLOTCBSA-N 347.842 4.383 0 40 EIAB CC(C)(C)c1ccc(-c2noc(COc3cccc(C=O)c3)n2)cc1 22120789 YGUBHCQUFLUESZ-UHFFFAOYSA-N 336.391 4.426 0 40 EIAB O=C(CCc1cccs1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24693398 DZAIMFRZPIHPTE-CQSZACIVSA-N 340.448 4.228 0 40 EIAB Cc1ccc(C)c([C@@H](C)Nc2cc(C)nc3nc(C(F)(F)F)nn23)c1 26703492 FHRSNVAIRAKCJP-GFCCVEGCSA-N 349.360 4.241 0 40 EIAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 29676727 ADDRCQRZQVGERQ-UHFFFAOYSA-N 342.370 4.436 0 40 EIAB CC(=O)c1ccc(NC(=O)Cn2ccc3c(Cl)cccc32)cc1 32087577 SVXTWDWYIYVIAO-UHFFFAOYSA-N 326.783 4.136 0 40 EIAB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c(O)c1 32911049 VHQWHZFHKAESPU-OAQYLSRUSA-N 346.382 4.482 0 40 EIAB COc1ccc(-c2noc(CSCc3ccccc3)n2)cc1OC 36712551 RLWMAOMPSSLTRI-UHFFFAOYSA-N 342.420 4.187 0 40 EIAB O=C(NCc1ccccc1F)Nc1ccc(Br)cc1F 40097446 LQHJSQNOQRZLFU-UHFFFAOYSA-N 341.155 4.049 0 40 EIAB Cc1nc(S)sc1CC(=O)Nc1ccc(OC2CCCC2)cc1 44712024 LCWIOZAPENDODY-UHFFFAOYSA-N 348.493 4.243 0 40 EIAB Cc1nc2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc2nc1C 48303771 FYWBYWZPCCNLDF-PXAZEXFGSA-N 349.434 4.235 0 40 EIAB CCCCN(CCCC)Cc1ccc([C@@H]2C[C@@H](C(=O)O)CC2=O)cc1 57327817 SDTONHOWMYEACA-MOPGFXCFSA-N 345.483 4.236 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 64328753 GBHZTUIEWIVNSX-UHFFFAOYSA-N 339.435 4.081 0 40 EIAB CC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)n1 65421016 VGYDKOMJKSFZOI-KRWDZBQOSA-N 348.450 4.310 0 40 EIAB CCN(C(=O)c1cnc(C)cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 69980913 XSTJBIYWDMFWKA-LBPRGKRZSA-N 337.345 4.027 0 40 EIAB CC[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)c1ccccc1 71915125 CYQUCJUIQWBZDN-AWEZNQCLSA-N 344.461 4.476 0 40 EIAB O=C(O)c1cc2cc(Br)c(OCc3ccccc3)cc2o1 72219746 SXYTZQMXRSOYDL-UHFFFAOYSA-N 347.164 4.473 0 40 EIAB Cc1cc(NC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)no1 81524317 FATUEQKIBQDMEF-UHFFFAOYSA-N 335.354 4.238 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCC[C@@H]1CC1CCCCC1 84012019 PNAHIPGIRDHQFD-KBXCAEBGSA-N 346.519 4.242 0 40 EIAB O=[S@](C/C=C/c1ccccc1)Cc1csc(-c2ccco2)n1 84517578 IJFHHJNPRZDGSV-PABBZOGXSA-N 329.446 4.365 0 40 EIAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1cccc(Cl)c1 84736162 MWHDVVCKIVHBEU-IYOUNJFTSA-N 334.891 4.028 0 40 EIAB CC(=O)Nc1cc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1F 89785058 DDCCHXWVFAHEHD-KDOFPFPSSA-N 341.430 4.032 0 40 EIAB Cc1ccc(OCc2nc(CSCCn3ccnc3)cs2)cc1 90200308 ALAFPJIRJQHYIH-UHFFFAOYSA-N 345.493 4.160 0 40 EIAB C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1 95420349 LBNNGXYOAXEMNQ-INIZCTEOSA-N 328.419 4.271 0 40 EIAB COc1cc([C@H](C)N[C@@H](C)Cc2c(C)noc2C)ccc1SC 95422812 LDNHWBJJLJCOLE-RYUDHWBXSA-N 334.485 4.304 0 40 EIAB CCCOc1cccc(NC(=O)CCc2nnc(C3CCCC3)o2)c1 95965993 UUDWRIQYTLQPQX-UHFFFAOYSA-N 343.427 4.087 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]1C2 100868174 DTXQVARBXZLJMS-HWPZZCPQSA-N 325.330 4.039 0 40 EIAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1OC 102726961 FYDRMRYXWMIXSK-KRWDZBQOSA-N 340.379 4.214 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2C)CC1 111501377 GAXDPXCVCUDCEE-UHFFFAOYSA-N 344.499 4.353 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(OC(C)C)cc1 113959910 YAMKROGROOJEDF-SFHVURJKSA-N 345.414 4.087 0 40 EIAB C[C@H](Nc1cccc(N2CCCNC2=O)c1)c1cc(F)c(F)c(F)c1 195552509 VZVOVBFHPVYNCT-NSHDSACASA-N 349.356 4.197 0 40 EIAB COc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2)CC1 211140564 JRCALJQJOMXYBZ-GOSISDBHSA-N 327.449 4.016 0 40 EIAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223430119 GMBWUYQLHNSPEO-HNNXBMFYSA-N 349.521 4.373 0 40 EIAB Cc1cccc(Nc2ccc(NC(=S)NCc3cccnc3)cn2)c1 223941312 NLIKDHONXVJWKH-UHFFFAOYSA-N 349.463 4.015 0 40 EIAB CCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 224012676 FKHRBSLCJXSNCG-UHFFFAOYSA-N 337.341 4.343 0 40 EIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224185288 RTEHXHAZVIMATQ-RTBURBONSA-N 348.475 4.080 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc(Cl)cc1 224618508 UIFMYVYXBWOFMY-GOSISDBHSA-N 347.842 4.001 0 40 EIAB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(OC)c(C)c1 224981434 GPIXOUFWWMEAEW-IYPOZPNPSA-N 339.435 4.293 0 40 EIAB O=C(O)[C@@H](Cc1cccc(Br)c1)Sc1ccccc1 225064334 QTKWEVOWLBCENY-CQSZACIVSA-N 337.238 4.237 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)c3cccs3)cc2)no1 226097091 UUUUIYGOSULYSN-UHFFFAOYSA-N 327.409 4.098 0 40 EIAB O=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1F 390829693 FYZVXWYKDDCBFY-UHFFFAOYSA-N 333.359 4.259 0 40 EIAB Fc1ccc(C2(CN[C@H]3CCCC34CCOCC4)CC2)c(Cl)c1 502393263 PJQTVMOVSBPRDL-KRWDZBQOSA-N 337.866 4.450 0 40 EIAB COc1cc(C)ccc1C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 548039944 FCTCAHJHBKKCPX-LJQANCHMSA-N 338.451 4.047 0 40 EIAB CCOC(=O)c1c(NC(=O)Nc2ccc(OC)cc2)sc(C)c1C 237921 LJIGSHHYIZWJQO-UHFFFAOYSA-N 348.424 4.194 0 40 EIAB c1ccc(-c2ccc(-n3nnnc3-c3c[nH]c4ccccc34)cc2)cc1 340715 MYWLNUHOXLSXFR-UHFFFAOYSA-N 337.386 4.478 0 40 EIAB Cc1ccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1 416725 YJYGMQCHNPNHEK-UHFFFAOYSA-N 339.464 4.356 0 40 EIAB O=c1cc(-c2ccccc2)sc2nnc(-c3ccc(Cl)cc3)n12 1432487 YGEZINOAUPOHGT-UHFFFAOYSA-N 339.807 4.138 0 40 EIAB CCC(CC)NCCOC(=O)C(c1ccccc1)c1ccccc1 1710569 ZJFIASGJJZIKLQ-UHFFFAOYSA-N 325.452 4.140 0 40 EIAB Cc1ccc2oc(=O)n(Cc3ccc(OCCC(C)C)cc3)c2c1 2706815 VXLGXFRUYKMLRS-UHFFFAOYSA-N 325.408 4.376 0 40 EIAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)cc1C 3231114 NEMYELIQMKYJRP-RMKNXTFCSA-N 333.384 4.024 0 40 EIAB COc1cc(Cl)c(C)cc1NCC(=O)N1CCCc2ccccc21 3343281 RTBADUAQZYNSMZ-UHFFFAOYSA-N 344.842 4.048 0 40 EIAB CCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 3477167 PJJALISJCQNMBM-UHFFFAOYSA-N 330.844 4.403 0 40 EIAB NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 4427964 DOVIBCPHDNLZGU-YVAYNOFSSA-N 331.419 4.362 0 40 EIAB CCOC(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 4776375 KDVDFTWAIFPBSA-OAHLLOKOSA-N 340.404 4.133 0 40 EIAB O=C(Nc1ccccc1Cl)c1cc(-c2cc(Cl)ccc2O)[nH]n1 5342668 TXWBPROBFKHGMJ-UHFFFAOYSA-N 348.189 4.341 0 40 EIAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(F)c(F)c1F 5602265 LNOHJQVEOHLKPQ-UHFFFAOYSA-N 337.322 4.058 0 40 EIAB O=[P@](/C=C/c1ccccc1)(Oc1ccccc1)N1CCOCC1 6414156 BRMNFHWSUUCQIA-UUFSLDAJSA-N 329.336 4.262 0 40 EIAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC 6587358 LMWMFWUTOCUSMV-SLEUVZQESA-N 339.863 4.302 0 40 EIAB O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCC3 6814298 QIJAKDSYQTUOAK-ZDUSSCGKSA-N 339.247 4.398 0 40 EIAB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 6969871 SLMDBJFRDZIHFW-HSMVNMDESA-N 326.783 4.260 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCOc2ccccc21 7214945 BTYXIYKQNGQSOV-MRXNPFEDSA-N 345.826 4.137 0 40 EIAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccc3c(c2)OCO3)cc1 7777521 ZKHNMVNOIZLWNF-UHFFFAOYSA-N 341.407 4.120 0 40 EIAB O=C(OCCOc1cccc(Cl)c1)c1ccc2ncsc2c1 7787010 DCBGDDOYVAQKJB-UHFFFAOYSA-N 333.796 4.186 0 40 EIAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2C2CCCCC2)no1 8012868 QGIMIFGFTXZVJV-UHFFFAOYSA-N 348.472 4.032 0 40 EIAB CSc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 8049523 OJABIPYSNZXDOW-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB c1csc(-c2noc(CSc3ncnc4sccc34)n2)c1 8131268 MBGWMOKAVZFTRM-UHFFFAOYSA-N 332.435 4.095 0 40 EIAB CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccco1 8188443 WOSVWDRDTJSIOT-UHFFFAOYSA-N 342.449 4.460 0 40 EIAB Cc1ccc(C(=O)N[C@H](c2nc(-c3ccsc3)no2)C(C)C)cc1 8986372 ZXBAATKQRKZKDM-HNNXBMFYSA-N 341.436 4.234 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 11612278 VPRPANWSSJGICN-KZNAEPCWSA-N 336.479 4.418 0 40 EIAB COc1ccc2ccc(OC(=O)/C=C/c3csc(C)n3)cc2c1 11806046 FEZVBHABVZBXQT-VMPITWQZSA-N 325.389 4.232 0 40 EIAB Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1F 12994776 ZWQPBSLFFQIGFA-UHFFFAOYSA-N 326.371 4.446 0 40 EIAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 13002310 GAMHDKZCSZFEKC-CQSZACIVSA-N 338.432 4.213 0 40 EIAB COc1cc(C[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14760153 QDDILOVMGWUNGD-KBPBESRZSA-N 328.408 4.187 0 40 EIAB endogenous,in-man c1ccc([C@H]2[C@@H](c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1 16478215 AWBNJJKNGQAUII-PSWAGMNNSA-N 336.438 4.121 0 40 EIAB CC[C@@H](C(=O)Nc1cnn(Cc2cccc(OC)c2)c1)c1ccccc1 28220874 VGUWABIHRGJYQU-HXUWFJFHSA-N 349.434 4.072 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1 30758896 OMLQOTWYNONDMO-ZDUSSCGKSA-N 349.883 4.459 0 40 EIAB COc1ccc(CCNC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1 32913263 IPIVFTBDGXQJCE-UHFFFAOYSA-N 342.826 4.111 0 40 EIAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 39762915 FURDGEVMOIUPQI-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]1c1cccs1 39995495 OLIKDPDEXXXRLI-KRWDZBQOSA-N 345.512 4.124 0 40 EIAB Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 40108188 HAXVMUZEKPPLPJ-QZTJIDSGSA-N 340.492 4.080 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2cccs2)no1 41184205 QDJIJMJKOSKWRQ-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB O=S(=O)(c1ccc(N[C@H]2CCCc3ccccc32)cc1)C(F)F 42790386 LKLHHAYOIXELGU-INIZCTEOSA-N 337.391 4.172 0 40 EIAB CCc1nnc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)s1 43344144 AUQOFEGMZSRGDL-ZDUSSCGKSA-N 336.848 4.027 0 40 EIAB Clc1cc2c(c(CSc3nncc4ccccc34)c1)OCOC2 44156721 FKFABVRMEMHEKG-UHFFFAOYSA-N 344.823 4.442 0 40 EIAB COc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)n[nH]2)cc1 51315544 CWEKTHCYIAAJAE-UHFFFAOYSA-N 335.407 4.263 0 40 EIAB Cc1ccc(C)c(NC(=O)CSCc2cn3cc(C)ccc3n2)c1 55254525 YUUYLXLFIVNKLG-UHFFFAOYSA-N 339.464 4.131 0 40 EIAB CC(C)OCc1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 58644982 KUHZOZQTAXNKRG-UHFFFAOYSA-N 341.455 4.282 0 40 EIAB CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)c1 62880029 OFXZDEDSIPHVPG-RDTXWAMCSA-N 343.448 4.082 0 40 EIAB COC(=O)c1cc(OCc2cc(C)ccc2C)c2cc(F)ccc2n1 65033350 XDZKLAGRZHLMDR-UHFFFAOYSA-N 339.366 4.356 0 40 EIAB c1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1 67262207 IATSARPXGUUYGX-UHFFFAOYSA-N 341.374 4.150 0 40 EIAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)C[C@H]2CCCO2)n1 76042899 IAVLVKRTNLCBBE-ZIAGYGMSSA-N 336.501 4.063 0 40 EIAB CC(=O)Nc1nc(CSCc2coc(-c3ccccc3)n2)cs1 78714493 HQKIFUULZYMHLX-UHFFFAOYSA-N 345.449 4.190 0 40 EIAB C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1nc(C(C)(C)C)no1 80560132 HSMJCRPKQIVUPJ-NEPJUHHUSA-N 348.472 4.036 0 40 EIAB CCCc1ccc(C(=O)NCCCn2ccnc2-c2ccccc2)cc1 85555048 KTBNZBWQFKNICG-UHFFFAOYSA-N 347.462 4.323 0 40 EIAB COCc1nc(CN[C@H](c2ccccc2F)C2CCCC2)cs1 88765604 BBDPJLMDPZRAMU-SFHVURJKSA-N 334.460 4.450 0 40 EIAB CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(CSC(C)(C)C)c1 95408890 WKMHDTMEBPXZJU-HNNXBMFYSA-N 336.501 4.219 0 40 EIAB CC[C@@H](Sc1nnc(CSC)o1)C(=O)c1ccc(Cl)cc1 95418405 PSTIYUWHTFUZCX-LLVKDONJSA-N 342.873 4.340 0 40 EIAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(C(C)C)cc1 96117610 HTPBIDWPSBQOKO-UHFFFAOYSA-N 349.434 4.362 0 40 EIAB c1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193873 SBSDNGUVOMRZRK-UHFFFAOYSA-N 348.387 4.178 0 40 EIAB CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(COC)o1)c1cccs1 97095023 SLFAXDGDIICSOL-HUUCEWRRSA-N 348.468 4.485 0 40 EIAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCCC5)(C4)C2)C3)cc1 100771881 PECQJEVHOKDVKR-WZGNDQMWSA-N 339.479 4.156 0 40 EIAB CN1CCO[C@@]12CC[C@@]1(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]31)C2 118936560 ZCHJSKRKWQBWAB-HSZHAZPASA-N 347.543 4.048 0 40 EIAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccccc1C 216828738 XWCCLDGBRITCEY-UHFFFAOYSA-N 334.799 4.413 0 40 EIAB Cc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)c(Cl)c1 216955524 QBOBMIGQNVJDGB-UHFFFAOYSA-N 327.767 4.298 0 40 EIAB CCCOc1ccc(C(=O)NCCSCc2ccccc2F)cc1 218981686 IWIHMMJSJBIBMO-UHFFFAOYSA-N 347.455 4.278 0 40 EIAB CCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 219955386 BXCXINNYAXSLOU-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB COc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222799001 LHSRNAFEWWPXMI-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224252615 MYUCIEBVZJSBHV-RTBURBONSA-N 348.475 4.204 0 40 EIAB CC(C)OC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1 225495609 BXMVPRJSCPKGLW-HNNXBMFYSA-N 326.440 4.267 0 40 EIAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1Cl 225632630 XHFFHZNKBCHUGK-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1c(F)cccc1F 225636040 OGWZHNXFJDAPKE-LBPRGKRZSA-N 336.407 4.027 0 40 EIAB CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 250367251 GTADAILQZYOTIC-CJBVTVNNSA-N 332.447 4.343 0 40 EIAB O=C(NCc1ccc(-c2ccco2)o1)C1(c2ccc(F)cc2)CC1 575609430 UZSBDZVNHRKPIL-UHFFFAOYSA-N 325.339 4.027 0 40 EIAB CCc1c(C)c2ccc(OCC(=O)c3ccccc3)c(C)c2oc1=O 107629 ZPGAZFORSNNHGK-UHFFFAOYSA-N 336.387 4.234 0 40 EIAB CC(C)OC(=O)CSc1ncnc2scc(-c3ccccc3)c12 411904 MXIZYIQMLGDMCV-UHFFFAOYSA-N 344.461 4.402 0 40 EIAB COc1cc2ncnc(Nc3ccc(Cl)cc3C)c2cc1OC 1386799 DHTSUZUSZQALED-UHFFFAOYSA-N 329.787 4.352 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1)CO3 2159463 GDZRFDBZDBZCBW-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB biogenic Cc1cc(Cl)ccc1OCCCC(=O)n1cnc2ccccc21 2795786 VNVNCSSZAJKKOF-UHFFFAOYSA-N 328.799 4.498 0 40 EIAB CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1 3602826 SDTICHJHDJWDOC-UHFFFAOYSA-N 328.462 4.047 0 40 EIAB CCc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CCC2 4211546 CWPMEMMEGBXIQC-UHFFFAOYSA-N 328.437 4.010 0 40 EIAB COc1ccc(-c2noc(CSc3ccccc3)n2)cc1OC 4374052 BCBDROXBMRHYCN-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB Cc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccccc3)cn12 4930783 NEEGRBXLYGRFLT-UHFFFAOYSA-N 347.443 4.301 0 40 EIAB CCO[C@]1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC 5438356 CDMGRNZTHPMZCZ-GOSISDBHSA-N 330.815 4.445 0 40 EIAB O=C(/C=C/C(=O)Oc1ccccc1Cl)Oc1ccccc1Cl 5606877 QAOSKUKLWLPBLU-MDZDMXLPSA-N 337.158 4.061 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1 5616960 NJMQZECHABBMMV-UHFFFAOYSA-N 343.423 4.443 0 40 EIAB O=c1[nH]c(-c2ccccc2O)nc2sc3c(c12)CCCCCC3 6188266 DSCVCQUOIANAKK-UHFFFAOYSA-N 326.421 4.016 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 6392613 PKYZKUHVCATWMB-JTQLQIEISA-N 327.277 4.251 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1OC 6786651 VZJHSEQIVJAJSZ-UHFFFAOYSA-N 343.423 4.443 0 40 EIAB CCCCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccc(C)nc21 6817239 BIDYNRRQBIXUFM-UHFFFAOYSA-N 348.446 4.435 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccncc2)cs1 6831394 BPGUVXHQHDKSTA-UHFFFAOYSA-N 347.802 4.179 0 40 EIAB Cc1sc2ncnc(NCCn3c(C)nc4ccccc43)c2c1C 7366324 UNPXMVXPKCBEFH-UHFFFAOYSA-N 337.452 4.078 0 40 EIAB COc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 7781135 VJQIDRGIMSTTHL-UHFFFAOYSA-N 331.169 4.175 0 40 EIAB CSc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)cc1 8066105 QJQFGVDXFIPPQD-UHFFFAOYSA-N 325.437 4.091 0 40 EIAB COc1ccccc1C(=S)N1CCC(Cc2ccccc2)CC1 9189183 ZRDGFFSHWMVTGY-UHFFFAOYSA-N 325.477 4.325 0 40 EIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCCCC3)cc2s1 9531682 WLRSAVHAIDZZMQ-UHFFFAOYSA-N 339.464 4.330 0 40 EIAB CCOc1ccc2oc(C)c(C(=O)Nc3ccc(OC)cc3)c2c1 11866434 MEEJGKQKJNEMGY-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB biogenic O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 12119106 QOUMHGOUPLVFOZ-INIZCTEOSA-N 342.826 4.085 0 40 EIAB Cc1c(C)n(C[C@H](O)CN2CCC(C)CC2)c2c(Cl)cccc12 12421932 LMNWQRSULUAYSC-MRXNPFEDSA-N 334.891 4.004 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1Cl 12749668 XPSCEDIGMCPJSR-OAHLLOKOSA-N 345.826 4.459 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 12775234 MFIKZJSFLIJVHU-GOSISDBHSA-N 336.479 4.472 0 40 EIAB O=C(Nc1ccccc1SC(F)F)c1cnn(-c2ccccc2)c1 12901060 UASSNBUSLUOQRN-UHFFFAOYSA-N 345.374 4.439 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c(C)c1 12937622 SFZDDWZXQAWIMZ-ZDUSSCGKSA-N 341.382 4.150 0 40 EIAB COc1cccc(-c2nc(NCc3ccco3)c3ccccc3n2)c1O 13127711 GZVMTDFIJBFBTI-UHFFFAOYSA-N 347.374 4.216 0 40 EIAB O=C(COc1ccc(Cl)cc1)Nc1ccnn1C1CCCCC1 15997570 MOLWYWFJEXGFCS-UHFFFAOYSA-N 333.819 4.059 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1 20489308 CUHDFUGIXAZDRN-HXUWFJFHSA-N 341.451 4.176 0 40 EIAB COc1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1OC 22435400 UEHKFLNMAGPWFZ-QWHCGFSZSA-N 349.789 4.239 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCCSc2ccc(F)cc2)c1 24729528 BTFWDAPKVXWFGS-HNNXBMFYSA-N 347.455 4.200 0 40 EIAB O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC1 24833371 MSXGBZQWWSZCOG-UHFFFAOYSA-N 340.551 4.052 0 40 EIAB Fc1ccccc1-c1ccc(CNC[C@@H]2COc3ccccc3O2)o1 26305195 RVNZBNCTDVTDCG-OAHLLOKOSA-N 339.366 4.015 0 40 EIAB CCc1nn2c(CC)c(-c3ccc(Br)cc3)nc2s1 28539966 LKVUMCGNZAVVIL-UHFFFAOYSA-N 336.258 4.345 0 40 EIAB O=C(OCc1cccc(F)c1)c1ccc(COc2ccc(F)cc2)o1 28578018 CDWHPEUIOAIDKJ-UHFFFAOYSA-N 344.313 4.494 0 40 EIAB O=C(COc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 29849744 UVSSZHRJXSQAMP-QFIPXVFZSA-N 343.426 4.240 0 40 EIAB CN1Cc2ccccc2[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]21 32067496 MVWFZFKBSGHYMN-GMAHTHKFSA-N 339.442 4.466 0 40 EIAB Cc1cc(C)n(CCCNC(=O)c2ccc(C3CCCCC3)cc2)n1 32675715 PQCAIFYZTFXWTF-UHFFFAOYSA-N 339.483 4.368 0 40 EIAB Cc1cc2oc(=O)cc(CN3CCc4sccc4C3)c2cc1Cl 32879818 YPMGMWZPDKPQMY-UHFFFAOYSA-N 345.851 4.375 0 40 EIAB CCCCC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 40104408 JSKFWSAAQWTWKX-LLVKDONJSA-N 325.840 4.389 0 40 EIAB CCc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44285240 IEDLMKBSYOFYNP-UHFFFAOYSA-N 325.799 4.340 0 40 EIAB CC(C)CCN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCCCC2 49466980 HFMXPARRMAOOEK-KRWDZBQOSA-N 329.440 4.060 0 40 EIAB C[C@H](c1ccccc1Cl)N(C)Cc1nc(O)c2sccc2n1 53235359 YKQYVMMXDZUZTN-SNVBAGLBSA-N 333.844 4.243 0 40 EIAB O=C(Nc1cccc2ncccc12)[C@@H](c1ccccc1)n1cccc1 62021936 KHKBLUYRDUOXCN-HXUWFJFHSA-N 327.387 4.264 0 40 EIAB CCC[C@@H](NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1 69415497 SIHWUXGWVOSSJM-OAHLLOKOSA-N 329.362 4.089 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H]1c1ccc[nH]1 71824117 XHMSDQFEUCHEAY-UZLBHIALSA-N 338.451 4.197 0 40 EIAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357810 ADMNEOLQGJMLBN-NRFANRHFSA-N 343.430 4.045 0 40 EIAB CCC(CC)C(=O)NCC1CCC([C@@H](c2ccccn2)N(C)C)CC1 72391150 DYZXLXGSKPFXQX-NLPFYKDJSA-N 345.531 4.043 0 40 EIAB CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccccc1C 73982007 NCBJZKLZAKUJBE-UHFFFAOYSA-N 327.472 4.060 0 40 EIAB C[C@H](Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 76316484 WHMBRLRRYWDUCD-KXBFYZLASA-N 339.439 4.160 0 40 EIAB Cc1nccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)n1 84290709 WLGNWQCKOKMTLW-HXUWFJFHSA-N 343.386 4.051 0 40 EIAB Cc1cc(-c2noc([C@@H]3CCCN3)n2)cc(C)c1OCc1ccccc1 95095429 OVDJUQYUOICPAP-SFHVURJKSA-N 349.434 4.357 0 40 EIAB CC1CCN(c2ccc(NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 107326920 ZWPACPHUCLRANG-BXWFABGCSA-N 343.540 4.398 0 40 EIAB CC(=O)O[C@H]1C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3CC[C@@H]2C1 118926211 UHKAWYVFEDUNRA-WQPKYIKBSA-N 346.511 4.488 0 40 EIAB CCOC(=O)c1cn([C@@H](C)CC)c2ccc(C(F)(F)F)cc2c1=O 199741074 SQUKJCPHIZUKHB-JTQLQIEISA-N 341.329 4.168 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1cc(C)ccc1C 224030404 ULJHOFXUSJOMCY-UHFFFAOYSA-N 329.465 4.224 0 40 EIAB CCCOc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224156012 KIJALSJGNGVZSL-UHFFFAOYSA-N 347.842 4.246 0 40 EIAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)nc1 225676348 AWKOPLFHJIHTEY-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900382 PPLRWFDGTGDDCF-LIRRHRJNSA-N 334.460 4.103 0 40 EIAB CC(C)(C)c1cnc(C2CCN(C(=O)c3cccc(F)c3F)CC2)o1 227163795 LEYOWOZIJNLZPH-UHFFFAOYSA-N 348.393 4.270 0 40 EIAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253596535 SLODIKZFXFILEX-KUIMHTBBSA-N 332.484 4.341 0 40 EIAB Cc1cnc(C2(C)CCN(C(=O)CCc3cccs3)CC2)s1 257263692 LRBAWVSFJXQGRI-UHFFFAOYSA-N 334.510 4.026 0 40 EIAB c1cnc2ccc(CN3CCCC[C@@H]3c3ccn4ccnc4n3)cc2c1 257268226 MKTJJRKGMULBHG-HXUWFJFHSA-N 343.434 4.005 0 40 EIAB COC(=O)CCCCC(=O)c1ccc(Br)c(Cl)c1 575362182 LXTHNGFCMPGHGB-UHFFFAOYSA-N 333.609 4.019 0 40 EIAB CSCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 603451328 RPOFRQDGMMFPTL-AGXSTUJCSA-N 343.536 4.312 0 40 EIAB CC1(C)CC(=O)c2sc(NC(=O)c3cccc(Cl)c3)nc2C1 281044 CPYXHRAVRLKFEO-UHFFFAOYSA-N 334.828 4.204 0 40 EIAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1 421856 RDJIMYUANWJGHZ-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB Cc1ccccc1CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 531083 CJNNWFVQBPINAD-LBPRGKRZSA-N 349.456 4.256 0 40 EIAB Cc1cc(C(F)F)nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 1002086 QWOZTJVNHUWYTB-UHFFFAOYSA-N 334.153 4.075 0 40 EIAB C[C@H]1CCc2sc3nc(NC4CCCCC4)n4ncnc4c3c2C1 2443764 ZIJMLLUWSQKNFT-NSHDSACASA-N 341.484 4.208 0 40 EIAB Cc1ccc(N(C(=O)NCc2ccccc2)C2=NC[C@@H](C)S2)cc1 3103138 JEZNHODHUBBEKI-OAHLLOKOSA-N 339.464 4.203 0 40 EIAB Cc1cc(Br)ccc1NCC(=O)Nc1ccccc1C 3399478 SSEYSFRAYBTPJZ-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(F)c1 3453876 RXEQWRYIXKHBCG-UHFFFAOYSA-N 341.213 4.203 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3517691 MYPNHHTYCCMZHX-UHFFFAOYSA-N 349.789 4.479 0 40 EIAB Cc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 4584510 MEWDYQWNSNIWAO-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB CCC(CC)C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 4585503 BEVXOZXVZBYSNI-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB CCOC(=O)Nc1nc(SCc2c(F)cccc2Cl)ns1 4898379 CIKWQOKTTQGXIY-UHFFFAOYSA-N 347.824 4.191 0 40 EIAB Cc1ccc(CSCC(=O)NCCSc2ccccc2)cc1 5018045 GCKRHSLLXMNOGM-UHFFFAOYSA-N 331.506 4.137 0 40 EIAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc(F)cc1 5498159 YNKRMQCIGDFPDA-UHFFFAOYSA-N 334.350 4.478 0 40 EIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 6604794 IVXOIYVWYAQCOE-CYBMUJFWSA-N 341.407 4.119 0 40 EIAB O=C(c1ccccc1F)N(Cc1ccc(F)cc1)Cc1ccco1 6747540 WMJKXQSBGOQONZ-UHFFFAOYSA-N 327.330 4.400 0 40 EIAB CCSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 6788201 QJUBLCUNUWWOKT-UHFFFAOYSA-N 330.840 4.210 0 40 EIAB O=C(NCc1ccccc1CN1CCCCC1)c1cc2ccccc2o1 7850287 HVPCVLGFJLRCSZ-UHFFFAOYSA-N 348.446 4.349 0 40 EIAB CN(C)CC(C)(C)CNCc1ccc(-c2nc3ccccc3s2)o1 8328879 NREGKPGUOZIIGJ-UHFFFAOYSA-N 343.496 4.234 0 40 EIAB Cc1cccc(N(CC(=O)c2ccccc2)C2=NCCCS2)c1C 8415118 KPBLWYAXHZQWRW-UHFFFAOYSA-N 338.476 4.486 0 40 EIAB CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccs3)[nH]n2)CC1 8566342 USZUTVQFLPZXIC-UHFFFAOYSA-N 333.457 4.253 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@@H]1c1cccn1C 8723658 QRSBEGZJEAHYSN-DNVCBOLYSA-N 335.451 4.223 0 40 EIAB CCOc1ccccc1-c1nn2c(-c3cccc(F)c3)nnc2s1 10311582 KHSVXJZXYOCSMB-UHFFFAOYSA-N 340.383 4.058 0 40 EIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C/C=C/c1ccccc1 12539629 CIIVHRJYVVCPRD-FTUXVVSKSA-N 345.446 4.433 0 40 EIAB C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 12729058 QUOHABHXMKFACW-LLVKDONJSA-N 338.785 4.221 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1C 12796243 NFMVNKIKLNWKQH-ZDUSSCGKSA-N 343.496 4.244 0 40 EIAB CCOc1ccccc1NC(=S)N[C@H](C)CCc1ccccc1 13820373 ACKSGIZWKPNUDA-OAHLLOKOSA-N 328.481 4.393 0 40 EIAB COc1ccc2c(c1)CCc1cc(C(=O)N3CCCCC3)sc1-2 14250166 KSQAADMCPBCRPB-UHFFFAOYSA-N 327.449 4.148 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 17167227 DAVGZAUEUBWRAH-OKILXGFUSA-N 342.464 4.119 0 40 EIAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2C)on1 19237206 TXCVIJJNRDYMTD-GOSISDBHSA-N 336.439 4.409 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1C 22534604 RLOZFPSFIYQLBZ-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB COc1ccc(CC(=O)N(C)Cc2ccc3ccccc3c2)c(OC)c1 23644233 NZNBCQJQBGOXQI-UHFFFAOYSA-N 349.430 4.058 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccnc2)cc1 24535444 IHLGNEORKBZGNM-GOSISDBHSA-N 325.412 4.239 0 40 EIAB Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)CCCC(C)C)c(C)c1 26181251 TVHHSMRAWGJSDC-QGZVFWFLSA-N 347.503 4.064 0 40 EIAB Cc1nc2ccccc2nc1S[C@H](C(=O)NC1CC1)c1ccccc1 29283247 JCUJLDYOMGXPLG-SFHVURJKSA-N 349.459 4.050 0 40 EIAB Cc1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c2c(C)noc2n1 29858087 JLOASVLRKJRLJS-UHFFFAOYSA-N 348.362 4.055 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCCC2)c1C 30853143 YKHOMZOOSYFPGG-MRXNPFEDSA-N 335.513 4.253 0 40 EIAB O=C(NCCC1=CCCCC1)c1cc2c(nc3sccn32)s1 30945708 DXIZGOPEBSQHJD-UHFFFAOYSA-N 331.466 4.231 0 40 EIAB CCOc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 31801217 YZGLTMFZZSJXRX-UHFFFAOYSA-N 333.391 4.103 0 40 EIAB CC(C)c1noc(CCC(=O)N[C@H](c2cccs2)C2CCCC2)n1 32398145 QRVHWMZDOZUAOU-KRWDZBQOSA-N 347.484 4.235 0 40 EIAB O=C(Nc1cc2c(cc1Cl)OCO2)c1c(F)cccc1Cl 32495984 GNJXRRXXZBIWKU-UHFFFAOYSA-N 328.126 4.114 0 40 EIAB O=C(CSc1n[nH]c(/C=C/c2ccccc2)n1)c1ccc(F)cc1 32789354 XTWUVJJSASKHRX-IZZDOVSWSA-N 339.395 4.089 0 40 EIAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2cccc(F)c2)C1 36359396 JYWBWMSRBWOWPI-ZDUSSCGKSA-N 331.416 4.396 0 40 EIAB OCc1cc(Cl)ccc1OCc1cccc(Br)c1 37312117 NTHRWXRWYVUYRR-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB O=C(NCCc1cccc2cccnc12)Nc1cccc2cccnc12 43528883 HLZCZJJMQDGIKG-UHFFFAOYSA-N 342.402 4.147 0 40 EIAB CCc1nnc2sc(-c3cc(Cl)cc(Cl)c3Cl)nn12 45920154 WSATUVYQBKHOTO-UHFFFAOYSA-N 333.631 4.375 0 40 EIAB Cc1cc(C)c2cc(C(=O)OCc3cn4cccc(C)c4n3)[nH]c2c1 48264992 WCYJOQLPBRXPAA-UHFFFAOYSA-N 333.391 4.098 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)NC[C@H](C)c3ccccc3)ccc12 57866489 OLMZNNVPMWKTPO-AWEZNQCLSA-N 336.391 4.027 0 40 EIAB O=C1C[C@H](c2ccco2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 61719008 MFLINBFISKNCJW-LLVKDONJSA-N 339.372 4.180 0 40 EIAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc2ccccc2n1 64809190 KHJOBADREIZFBC-KRWDZBQOSA-N 336.366 4.018 0 40 EIAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3ccccc3o2)c1 67339318 UIDHCWPYKXHDRA-ZHACJKMWSA-N 335.359 4.261 0 40 EIAB Cc1nc([C@H](C)NC(=O)CCCc2nc3ccccc3s2)cs1 69591705 CAECRCVGTHYBDA-NSHDSACASA-N 345.493 4.261 0 40 EIAB C[C@H](C(=O)N1CCCCCC1)[S@](=O)Cc1ccc(C(C)(C)C)cc1 69813880 BGXVTDIAHOHXAF-GYCJOSAFSA-N 349.540 4.024 0 40 EIAB Fc1ccc(CN2CCc3ccccc3CC2)cc1Br 79574465 YZPZWIPPHZVBTN-UHFFFAOYSA-N 334.232 4.189 0 40 EIAB C[C@H](NC(=O)N(CC1CC1)CC1CC1)c1nc(C2CCCCC2)no1 80573873 NKSJIHLQFGQETD-ZDUSSCGKSA-N 346.475 4.010 0 40 EIAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2ccn(C)c2c1 83572639 DENKQTLFPSNNCW-OAHLLOKOSA-N 348.450 4.051 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)N1Cc2ccccc2C(C)(C)C1 89534427 XZRKDWWDEBDVDO-UHFFFAOYSA-N 332.447 4.339 0 40 EIAB O=C(CCCc1ccccn1)N1C[C@H]2CCCC[C@]21c1ccccc1 95412748 ZVSLEFDUBNBAKS-KNQAVFIVSA-N 334.463 4.332 0 40 EIAB O=[S@@](Cc1csc(CCc2ccccc2)n1)c1ccccc1F 95964510 IQBSDCXILOPJBT-HSZRJFAPSA-N 345.464 4.375 0 40 EIAB COc1ccc(CCN[C@H]2CC(C)(C)Cc3occc32)cc1OC 95967075 RAHUIICDHJWCQK-INIZCTEOSA-N 329.440 4.143 0 40 EIAB Cc1cccc(CN2CC[C@]3(CCCN(Cc4cccc(C)n4)C3)C2)c1 96216231 YFFCSAQDPLDPHC-QHCPKHFHSA-N 349.522 4.187 0 40 EIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)OC2=O 100260657 VEHLFGATGHRFOT-HOTGVXAUSA-N 342.222 4.054 0 40 EIAB O=C(/N=c1\sc2ccccc2n1-c1ccccc1)c1ccccc1 100529790 AXNDLMGPUOVXDU-MRCUWXFGSA-N 330.412 4.433 0 40 EIAB CCc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2c(OC)cccc23)c1 101084861 DEVUXWDMUUMILV-OXJNMPFZSA-N 338.407 4.027 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104489173 YNAGVHDXBFFZOT-WCBHIPQGSA-N 337.548 4.232 0 40 EIAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1cccc2ccccc12 214960500 AKDUWBXDQPMPJW-WOJGMQOQSA-N 346.411 4.471 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F 216469783 VDBKLPTWNSIDEM-CQSZACIVSA-N 325.742 4.414 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 219487488 LQSUSSNZXOMEMG-UZLBHIALSA-N 341.451 4.366 0 40 EIAB O=C1Nc2ccccc2S/C1=C\c1ccc(O)c(Br)c1 221247552 NKMYZJFCXBXIIC-ZSOIEALJSA-N 348.221 4.240 0 40 EIAB Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 222827673 KBCBPIVETUMCQV-KRWDZBQOSA-N 339.435 4.101 0 40 EIAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COC(C)C 224431879 DGXKQGCLJXGSOI-UHFFFAOYSA-N 333.472 4.463 0 40 EIAB O=C(CSCc1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 224922828 JVKNQKSHCQRJPU-UHFFFAOYSA-N 344.455 4.298 0 40 EIAB CCCOc1ccccc1CCCNC(=O)CCc1ccc(F)cc1 224944939 FFPIBSKPCFAMMN-UHFFFAOYSA-N 343.442 4.296 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCCc2sccc2C1 592981619 ADEGNTCRFFDCRO-ZDUSSCGKSA-N 348.899 4.485 0 40 EIAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1C 606422378 STWAUDJOYCOPET-UHFFFAOYSA-N 335.451 4.485 0 40 EIAB Cc1c(Cl)cncc1NC(=O)CCc1cnc2ccccc2c1 1595814853 QGBSRTDAJAMILZ-UHFFFAOYSA-N 325.799 4.163 0 40 EIAB Clc1ccc(-c2cnc(CN3CCC[C@H]3c3ccon3)o2)cc1 1615614923 KNMNTERWTTVETH-HNNXBMFYSA-N 329.787 4.320 0 40 EIAB COc1cc(CNC[C@@](C)(O)C2CCCCC2)cc2ccccc12 1657167287 MCSKKTTWWWOTJM-OAQYLSRUSA-N 327.468 4.269 0 40 EIAB COc1ccccc1Nc1nc(-c2cccnc2)nc2ccccc12 111704 BVUUOMZUTRWEHB-UHFFFAOYSA-N 328.375 4.444 0 40 EIAB Cc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c1 2117507 ZCLNZLHIGDOCGP-UHFFFAOYSA-N 347.414 4.337 0 40 EIAB biogenic COc1cccc(-c2nn3c(-c4cc(C)cc(C)c4)nnc3s2)c1 2182936 DGIXMQKPTCRKMS-UHFFFAOYSA-N 336.420 4.145 0 40 EIAB CCCOc1ccc([C@H](O)[C@H](c2ccccc2)N2CCCC2)cc1 2250658 ZQANJCYEINMFHT-SFTDATJTSA-N 325.452 4.346 0 40 EIAB O=C(CSc1nnc(NC2CCCCC2)s1)c1ccccc1 3293736 NCKFNXSZUPIIPP-UHFFFAOYSA-N 333.482 4.258 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1c2ccccc2C[C@@H]1C 3408139 QTRVUCMNVAUZIP-QWHCGFSZSA-N 344.842 4.127 0 40 EIAB CC(=O)N[C@H](CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 3437762 NCYGAAWPXFHQRX-LJQANCHMSA-N 338.451 4.190 0 40 EIAB O=C(CCC1CCCCC1)Nc1nnc(Cc2ccccc2)s1 4696201 WYHRBLFRWGDYIV-UHFFFAOYSA-N 329.469 4.428 0 40 EIAB Cc1c(Cl)cccc1Nc1nc(NC(C)C)nc(NC(C)C)n1 5255719 LRXYFYXQIDRISJ-UHFFFAOYSA-N 334.855 4.218 0 40 EIAB Cc1ccc(N2C(=O)[C@H](CN3CCCCC3)[C@H]2c2ccccc2)cc1 5738749 OMOXCNHOHLCAAM-NHCUHLMSSA-N 334.463 4.185 0 40 EIAB C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CCCCCC1 6284227 PGZQQXAMZCXUBU-LBPRGKRZSA-N 340.261 4.055 0 40 EIAB CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC 6757827 UATUWRBXKVSMJN-UHFFFAOYSA-N 338.407 4.444 0 40 EIAB Cc1cnc(NC(=O)CSc2cc(Cl)ccc2Cl)s1 6969089 ZNAOJBOQDNNYOB-UHFFFAOYSA-N 333.265 4.489 0 40 EIAB O=C(NC1CC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 6988344 BCMXUECOCFLORS-INIZCTEOSA-N 336.218 4.392 0 40 EIAB O=C(COc1cccc(F)c1)N[C@@H](c1ccccc1)c1cccs1 7885496 HWEDXCALZKVBEF-IBGZPJMESA-N 341.407 4.172 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1C 8050337 SSIRFDIHWKMHOW-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB CCc1s/c(=N\C(=O)c2ccccc2C)n(C)c1-c1ccccc1 8080509 DLODQGMGNYXGOV-MRCUWXFGSA-N 336.460 4.366 0 40 EIAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 8237813 HUPDXQADLOJSDV-LBPRGKRZSA-N 329.783 4.342 0 40 EIAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccnc1 8519103 ILFBVOBYVRYSPZ-UHFFFAOYSA-N 342.358 4.051 0 40 EIAB CCn1/c(=N\C(=O)c2ccccc2C)sc2cccc(Cl)c21 8654201 RLRPNQQGYRTOKQ-HTXNQAPBSA-N 330.840 4.426 0 40 EIAB CCOc1ccc2oc(C(=O)Nc3ccccc3OC)c(C)c2c1 9646239 DAEPIQAUCJZEJW-UHFFFAOYSA-N 325.364 4.401 0 40 EIAB C[C@@H](OC(=O)COc1ccccc1)C(=O)c1ccc2ccccc2c1 11565651 NENIOGICDDZIPR-OAHLLOKOSA-N 334.371 4.033 0 40 EIAB CCc1cc(NCc2cccs2)n2nc3nc(C)cc(C)c3c2n1 12184392 CCZYWSXYDINMNH-UHFFFAOYSA-N 337.452 4.130 0 40 EIAB CCCc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 12540731 VASUPCSYYVCRDN-UHFFFAOYSA-N 344.436 4.318 0 40 EIAB CSc1ccccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12768836 ZZJDLMBKELLMPU-CQSZACIVSA-N 337.448 4.085 0 40 EIAB Cc1ccc(Cc2nn3c(-c4cccs4)nnc3s2)cc1C 13566795 VJBTYWHKIVZOON-UHFFFAOYSA-N 326.450 4.122 0 40 EIAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1 13942325 IWLLZKDYXHTQMM-YCRPNKLZSA-N 346.430 4.201 0 40 EIAB Cc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)c1 19234995 OJSDGMNTAJGXCV-GOSISDBHSA-N 336.439 4.409 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1cc(N)ccc1Cl 19403534 NPLSGBXNKAKZPW-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736527 UFBPKFOWDPKQNQ-GFCCVEGCSA-N 332.831 4.452 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1OC 20452124 ONZSKTOIALQQRR-ZIAGYGMSSA-N 345.464 4.062 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 20459288 MSXLQHDQXZQHCA-DNVCBOLYSA-N 327.424 4.038 0 40 EIAB C[C@H](c1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 20610213 WQTPFZRODSHMAT-CQSZACIVSA-N 347.414 4.195 0 40 EIAB biogenic CC[C@@H]1CCCCN1c1nc(C)c2c(n1)C[C@H](c1ccco1)CC2=O 20673042 OVIRSBSCAZKDNJ-LSDHHAIUSA-N 339.439 4.060 0 40 EIAB COc1ccc(Nc2ncccc2C(=O)Nc2cccc(C)c2)cc1 22072435 MSAWIDOQCKJPIE-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1F 22072832 SEXZXFOLKFDKFM-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 22527073 BHEDDUAOMQXAEZ-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB COc1cc(C)c(Nc2ncnc3c2oc2ccccc23)cc1OC 23380915 WRAFLHPJIAEIIT-UHFFFAOYSA-N 335.363 4.445 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 24208749 JCMFCRVJJFKHMG-CXAGYDPISA-N 345.439 4.255 0 40 EIAB O=C(CCC1CCCCC1)Nc1ccn(Cc2cccc(F)c2)n1 27916690 HMICELRCOKVBFY-UHFFFAOYSA-N 329.419 4.370 0 40 EIAB Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cn1 29841003 XMJGHZMTYDNCQQ-OAQYLSRUSA-N 328.415 4.178 0 40 EIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1 36357496 KNKAYJSHOCANQR-INIZCTEOSA-N 337.354 4.144 0 40 EIAB CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 40714423 RZJJDQNYCRCVCK-ZEERGYAVSA-N 339.439 4.003 0 40 EIAB CCOc1ccc2nc(S[C@H](C)c3nc(C4CC4)no3)[nH]c2c1 53331567 XKKGHUUDBGDSKM-SECBINFHSA-N 330.413 4.075 0 40 EIAB O=C(/C=C/c1ccccn1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 58406556 COVXIJDWLJONRX-JLHYYAGUSA-N 347.345 4.071 0 40 EIAB Cc1cc2nc(NCc3cc4ccccc4[nH]3)c3ccccc3n2n1 58406585 HCZZDZYFQNTUAG-UHFFFAOYSA-N 327.391 4.284 0 40 EIAB CCn1c(S[C@H](C)c2cccc(F)c2)nc2ccccc2c1=O 65542505 GBFWVXAHJMMVSX-GFCCVEGCSA-N 328.412 4.409 0 40 EIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1c(O)cc(F)cc1F 66042928 PXIIKFFSTSVPIB-UHFFFAOYSA-N 346.377 4.303 0 40 EIAB CCN(C(=O)c1ccncc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 69435605 KNHCAUZQBIGKPA-FQEVSTJZSA-N 349.409 4.176 0 40 EIAB Cn1cnc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 70974196 RXMZVCRMFQGGLP-UHFFFAOYSA-N 342.398 4.311 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1OC 71280798 OKSYZKRDHXPKGR-AWEZNQCLSA-N 341.411 4.139 0 40 EIAB O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)C1CCCC1 71909316 CLWJCFQAADQURN-XMMPIXPASA-N 341.476 4.264 0 40 EIAB COCc1ccccc1NC(=O)Nc1ccc(OC(F)F)c(F)c1 79101377 YBLHHGAWMRFSHL-UHFFFAOYSA-N 340.301 4.218 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2occc21 84139858 SXHQZKIYUHVSJJ-OAHLLOKOSA-N 333.815 4.284 0 40 EIAB Cc1nc(-c2cccs2)sc1CNC(=O)Cc1ccccc1F 85470952 NLHMODVRBJMXDR-UHFFFAOYSA-N 346.452 4.178 0 40 EIAB Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 90728961 MLUPXVFQTVBHNU-UONOGXRCSA-N 338.455 4.240 0 40 EIAB O=C(NCc1ccccc1-c1ccsc1)c1cnc2ccccc2n1 96383238 PAZOGFOZUZAPTN-UHFFFAOYSA-N 345.427 4.288 0 40 EIAB CSc1ccsc1C(=O)Nc1cccc(N2CCCCC2=O)c1 107110063 ZAKZSLXHEQPIOB-UHFFFAOYSA-N 346.477 4.239 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222948155 DLZBUYWBOWIHSG-CABCVRRESA-N 341.426 4.349 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3sncc3c2)c(C)c1 222974168 IIKJEPZOZMHDPW-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COCC(C)C 224446311 DYYOHZWZSITBME-MRXNPFEDSA-N 341.451 4.359 0 40 EIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(Cl)cc1 225580615 SQWRVABDZDBXQB-INIZCTEOSA-N 339.936 4.281 0 40 EIAB O=C(NCc1cncc(-c2cccs2)c1)c1cccc(Cl)c1 225666151 HMVJWNAWPKIQEJ-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253500774 CEZKLEHYJURHTB-INVLVGEXSA-N 349.515 4.115 0 40 EIAB CC(C)n1ncnc1CN[C@H](c1cccc2ccccc12)C(F)(F)F 390835525 PNIKDYPFVODFOR-QGZVFWFLSA-N 348.372 4.405 0 40 EIAB O=C(O)c1cccc(-c2ccccc2OC[C@H]2CCOC2)c1Cl 585091910 FOMONZDAKCSXEA-LBPRGKRZSA-N 332.783 4.121 0 40 EIAB CC1(C)[C@@]2(/C=C/[C@@]34CC[C@@](C(=O)O)(C3)C4(C)C)CC[C@@]1(C(=O)O)C2 675031102 WNHJWIYFWMTZOM-CKZPPYNSSA-N 332.440 4.105 0 40 EIAB Cc1ccc([C@@H]2CN(Cc3cc4ccccc4o3)C[C@H]2C(=O)O)cc1 1615552604 ONORBNXKTDRNIS-RBUKOAKNSA-N 335.403 4.041 0 40 EIAB Cc1c(CN[C@@H](Cc2c(F)cccc2Cl)c2ccco2)cnn1C 1616037003 DUZCGSYUEPZYRT-KRWDZBQOSA-N 347.821 4.188 0 40 EIAB Cc1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c1 121775 OVQQCFSRLCRCNJ-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 268236 GYLQPJUVUYEQNM-WEVVVXLNSA-N 347.798 4.018 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)C(=O)O2 351803 XHDCTUOJVOKGGP-JKSUJKDBSA-N 342.222 4.054 0 40 EIAB CC(C)Oc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 529952 LRGOIYRIKPHRNJ-QGZVFWFLSA-N 342.464 4.268 0 40 EIAB Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)cc1C 1369694 LVWKBDNUMXTIGX-RTBURBONSA-N 343.540 4.138 0 40 EIAB Cc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 1384072 YVPJGJVYTIMOGI-UHFFFAOYSA-N 333.313 4.002 0 40 EIAB NCCCCCc1nnc(SCc2c(Cl)cccc2Cl)o1 2359484 VMZAGIMCDBAECG-UHFFFAOYSA-N 346.283 4.340 0 40 EIAB NC(=S)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 2559829 BFHRJGOZOWUIKQ-LLVKDONJSA-N 330.762 4.172 0 40 EIAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccccc3)s2)cc1 2887786 JTARIXMMEXBRMQ-UHFFFAOYSA-N 337.448 4.093 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4037903 CEZKLEHYJURHTB-QSMCSLCTSA-N 349.515 4.115 0 40 EIAB biogenic CCCCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 4043581 ZNSRLHGRRUMLQT-UHFFFAOYSA-N 338.359 4.191 0 40 EIAB biogenic COc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc2cc1OC 4479894 UEAMYICSFHZDPT-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc(C)c1C 4570480 PGAYQAURDAFEIX-UHFFFAOYSA-N 346.433 4.014 0 40 EIAB CC(C)CCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4691561 FDTAJSURPXFTJV-INIZCTEOSA-N 332.488 4.327 0 40 EIAB CCCN(CCC)CC(=O)NC1c2ccccc2Oc2ccccc21 4769076 TVNPIUJCONBJOT-UHFFFAOYSA-N 338.451 4.120 0 40 EIAB Clc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)c(Cl)c1 5139979 VHSZPXHYNHFKED-UHFFFAOYSA-N 348.237 4.336 0 40 EIAB COc1ccc(Nc2nc(C)nc3c2oc2ccccc23)c(OC)c1 5159148 CRRSHQYBJWFELQ-UHFFFAOYSA-N 335.363 4.445 0 40 EIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1ccccc1 5415779 FJRVLNHAHKUKFS-NZSAHSFTSA-N 346.467 4.166 0 40 EIAB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)NC1=S 5898267 AZLNHNIBTRWSMB-GXDHUFHOSA-N 346.839 4.068 0 40 EIAB CC(C)c1ccc(S(=O)(=O)Nc2cccc3cnccc23)cc1 6706664 NTOFDFWAIXBURU-UHFFFAOYSA-N 326.421 4.159 0 40 EIAB Cc1ccc(F)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 7428508 AILZBPWJGVUCFX-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB Fc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 7970090 LBKRFGBAPVPMOR-UHFFFAOYSA-N 338.448 4.185 0 40 EIAB CC(C)Nc1nnc(SCc2ncc(-c3ccccc3)o2)s1 8316696 OVMUABNRMZWFSO-UHFFFAOYSA-N 332.454 4.306 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 8499336 HXJHJOYHMJYAFZ-QGZVFWFLSA-N 349.883 4.406 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3nccnc23)cc1 9074241 LCGSYKGONRLIKJ-UHFFFAOYSA-N 346.369 4.355 0 40 EIAB Cc1ccccc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 9377240 UURZCIRDDAALLW-UHFFFAOYSA-N 345.446 4.330 0 40 EIAB CC(C)[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 11473917 UYKZENZPHNDGRF-FOIQADDNSA-N 342.508 4.181 0 40 EIAB Cc1cc(-c2cnc(NCc3cccnc3)nc2-c2cccs2)on1 12088801 IPDARWRAEBRMKT-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 12404000 LKOBDBGCQQSYIZ-FPOVZHCZSA-N 327.387 4.324 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1C 12475321 JOPTZJLWKMYIKY-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB O=C(C[C@@H](C(=O)c1ccccc1)c1ncc[nH]1)c1ccc(Cl)cc1 12576342 DZBSOJNZJZKHPN-INIZCTEOSA-N 338.794 4.303 0 40 EIAB COc1ccccc1NC(=S)NCc1ccccc1C(F)(F)F 13577436 VEFNZHWCLCVGNW-UHFFFAOYSA-N 340.370 4.201 0 40 EIAB COc1cc(C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1 14201136 JLTBTOMXLKAXRJ-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OC 15085995 BVBJAUWLIWNYNF-CYBMUJFWSA-N 343.448 4.118 0 40 EIAB C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1ccccc1 15565851 ZBUQQLTXAIUSEC-NSHDSACASA-N 334.213 4.029 0 40 EIAB Clc1ccc([C@@H](Nc2ccccn2)n2nnc3ccccc32)cc1 19143715 VAXJQBCXJCDLAO-SFHVURJKSA-N 335.798 4.139 0 40 EIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(C(C)C)cc1)CC(O)=N2 20738558 ZUWPTEVJQYSTPA-MRXNPFEDSA-N 347.422 4.218 0 40 EIAB O=c1[nH]c(CSc2ccc(F)c(Cl)c2)nc2ccsc12 24848865 OUYZBTMTROGPKE-UHFFFAOYSA-N 326.805 4.069 0 40 EIAB Cc1cccc(COc2cccc(C(=O)O[C@H]3CCCCC3=O)c2)c1 32901725 PNYPPRYSJHDSDD-FQEVSTJZSA-N 338.403 4.243 0 40 EIAB Cc1nc2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2s1 36709897 YJIZPWKFIACSRH-UHFFFAOYSA-N 340.433 4.309 0 40 EIAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(c2cccc(F)c2)=NO1 36832987 FECWAALVFMDSSH-IBGZPJMESA-N 334.350 4.111 0 40 EIAB CCOc1ccc(Nc2cc(C(=O)OC)nc3c(C)cccc23)cc1 38487131 AUXWQCMRIWLZLL-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB CC1CCN(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 38832920 MBWXTIQRAUVKHZ-UHFFFAOYSA-N 336.479 4.191 0 40 EIAB Cc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1C 39762101 BLVDEMRRIFOOSI-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB COc1ccc(-n2ccnc2SCc2nc3ccccc3[nH]2)cc1 40024314 AIDSXVBQFBDTMI-UHFFFAOYSA-N 336.420 4.050 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSC1CCCCC1 44899693 LWODUNQGHWEZOP-SFHVURJKSA-N 335.513 4.335 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(OC)cc1 44905173 QMKCHAQWWGZHOE-CRAIPNDOSA-N 327.424 4.038 0 40 EIAB CCCCc1nc(CN2CCC([C@H](O)c3ccccc3)CC2)cs1 45914058 VDRWWFKXLAFCFI-HXUWFJFHSA-N 344.524 4.431 0 40 EIAB COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 48301650 VXIAKMWFASJCDA-UHFFFAOYSA-N 326.396 4.129 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1sccc1Br 48805482 NBDQQQYVEIIFJU-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB O=C(NC[C@@H]1CCCOC1)c1cc2sc3ccccc3c2s1 55923169 PLXOBHYCEJPEBE-NSHDSACASA-N 331.462 4.272 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1F 57412710 MEGVXYDJYBLNFR-UHFFFAOYSA-N 345.761 4.130 0 40 EIAB CCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 57416177 HLBSIEKYZGGJPS-UHFFFAOYSA-N 328.799 4.150 0 40 EIAB CC(C)OCCCN(Cc1ccncc1)Cc1cccc(F)c1F 57797134 FIGPAZNLUBQMHU-UHFFFAOYSA-N 334.410 4.177 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NCCc3cccs3)ccc2c1 68741084 RCEFOSMISLXMES-CQSZACIVSA-N 339.460 4.372 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)no1 71846796 NXALZTGYIYYABN-VYDXJSESSA-N 330.815 4.104 0 40 EIAB CCOc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72211809 DTYPSXPVSFTOKK-SFHVURJKSA-N 340.423 4.344 0 40 EIAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(OC(F)F)cc1 78556320 GCAIBUVSDPIQGC-SAHAZLINSA-N 328.355 4.437 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 79306154 HFNSMHAIRVAIRU-SNVBAGLBSA-N 342.424 4.298 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 79306156 HFNSMHAIRVAIRU-JTQLQIEISA-N 342.424 4.298 0 40 EIAB Cc1nn(Cc2ccccc2)c2c1[C@@H](C(F)(F)F)SCC(O)=N2 79490220 WZYZNWWCKKQHIF-ZDUSSCGKSA-N 341.358 4.178 0 40 EIAB CCn1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c2ccccc21 83843366 MUJGQCMOPAREEN-IERDGZPVSA-N 348.446 4.263 0 40 EIAB O[C@@H](CSCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 84522564 CTYMKXMWTMSEIZ-HNNXBMFYSA-N 346.839 4.357 0 40 EIAB CC(C)(C)NC(=O)c1ccc(NCc2ncc(C(C)(C)C)o2)cc1 85271081 OPDNFRQIOOPTLY-UHFFFAOYSA-N 329.444 4.113 0 40 EIAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc(C(C)C)on1 88391524 GLNJRNCBXJWLRS-HNNXBMFYSA-N 342.443 4.061 0 40 EIAB Clc1ccc(CNc2cccc(Cn3cnnc3)c2)c2ncccc12 89780585 JIQJGBXCPPRWBW-UHFFFAOYSA-N 349.825 4.140 0 40 EIAB COc1ccc(-n2cnc3c2[C@@H](CC(C)C)SCC(O)=N3)cc1 95479108 ILKIGJGAHXIOIN-CQSZACIVSA-N 331.441 4.303 0 40 EIAB O=C(c1ccsc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219322837 WBIGIQQLGLJHMX-HNNXBMFYSA-N 339.432 4.347 0 40 EIAB CC(C)Oc1cccc(CNC(=O)CCc2ccccc2Cl)c1 220014155 SCPGCDFWUNXSNF-UHFFFAOYSA-N 331.843 4.376 0 40 EIAB COc1cccc(N(C)C(=O)C(c2ccccc2)c2ccccc2)c1 222936210 ZHXQBNOUKSVOAP-UHFFFAOYSA-N 331.415 4.490 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccco1 222952115 VIXUYSUZLZDHBO-QGZVFWFLSA-N 347.480 4.103 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCc1cccc(C(F)(F)F)c1 224611778 MZDCSPPPWXLJES-UHFFFAOYSA-N 345.723 4.357 0 40 EIAB Cc1nc(/C=C2/SCCN2C(=O)c2ccccc2Cl)cs1 225259750 DYLQWQVAFPQJKA-RIYZIHGNSA-N 336.869 4.293 0 40 EIAB CC(C)CNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264808 BIUNRQRPKMAYJF-UHFFFAOYSA-N 327.815 4.269 0 40 EIAB Cc1cc(C)c(C(=O)NCCSCc2ccccc2F)cc1C 225645136 OJMGCCOUYPLWJN-UHFFFAOYSA-N 331.456 4.414 0 40 EIAB O=C(CCc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 228938760 RQXVIBUZXDNPJF-UHFFFAOYSA-N 347.817 4.131 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)c2ccncc2C(F)(F)F)cc1 330033177 XCHGLMIJNXGNET-SNVBAGLBSA-N 340.370 4.313 0 40 EIAB Cc1nc(-c2cccc(NC(=O)c3cc(-c4ccoc4)[nH]n3)c2)oc1C 516631835 XCBAOSNEZGLEIX-UHFFFAOYSA-N 348.362 4.194 0 40 EIAB Clc1ccc2ncc(CNc3cccc(CN4CCCC4)c3)n2c1 1661000209 QSHLNEAPDSNGDJ-UHFFFAOYSA-N 340.858 4.196 0 40 EIAB CC(C)c1nc2ccccc2n1C1CN(C(=O)C2CCCCC2)C1 1888864181 IOGGOJYRRXHZTF-UHFFFAOYSA-N 325.456 4.123 0 40 EIAB Cc1cc(OCCn2c(C(=O)O)cc3ncccc32)cc(C)c1Cl 2037873701 ITUKFBAFMZMDIL-UHFFFAOYSA-N 344.798 4.084 0 40 EIAB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)c(C)c2)c(OC)c1 147531 LTQVUOAZTFPYJI-WEVVVXLNSA-N 332.783 4.284 0 40 EIAB Cc1cc2cc(C)c(SCC(=O)NC3CCCC3)nc2cc1C 416363 UHGJZIXWPHNHLH-UHFFFAOYSA-N 328.481 4.311 0 40 EIAB CCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1 531681 XORDCRPUQVSDOW-RBUKOAKNSA-N 334.423 4.132 0 40 EIAB CCn1nc(NC(=O)c2cccc(C)c2)c2cc3cccc(C)c3nc21 1275387 AVTYCOQFEUMFPD-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB COc1ccc(NC(=O)CSc2ccc(C)cc2C)cc1OC 3605632 IPLRGVNOJGNGPF-UHFFFAOYSA-N 331.437 4.051 0 40 EIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 3843982 SLODIKZFXFILEX-IHCSERIDSA-N 332.484 4.341 0 40 EIAB biogenic O=C(C1CCCCC1)N1CCN=C1SCc1ccccc1Cl 4120250 MELZIXXNJLYWJY-UHFFFAOYSA-N 336.888 4.352 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1ccc(N2CCCC2=O)cc1 5439841 MPOIDWVOVVIIAI-UHFFFAOYSA-N 344.414 4.148 0 40 EIAB c1ccc2c(c1)CCc1c(-c3n[nH]c4c3CCc3ccccc3-4)n[nH]c1-2 5479272 JNMBAEDGUYZRTI-UHFFFAOYSA-N 338.414 4.331 0 40 EIAB Cc1ccc(C)c(-c2csc(NC(=O)c3c(C)noc3C)n2)c1 5615855 KVRRQQWLXNFPQD-UHFFFAOYSA-N 327.409 4.284 0 40 EIAB O=P(Nc1nccs1)(Nc1nccs1)Oc1ccccc1 5947484 LTMUYKVESYHEOY-UHFFFAOYSA-N 338.354 4.311 0 40 EIAB CCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(C)c(C)c3)c12 6285690 DKXXQESJNDPJET-UHFFFAOYSA-N 334.419 4.272 0 40 EIAB O=C(Nc1ccccc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1 6493972 FKUIDEJNJLBZNV-UHFFFAOYSA-N 335.392 4.330 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NC1CC1)c1ccccc1 7003114 KWUWPAGMIMJHSU-INIZCTEOSA-N 334.341 4.137 0 40 EIAB COc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1F 7360650 LTPJABSJBKDVHS-UHFFFAOYSA-N 337.416 4.067 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(C2CC2)s1 7407489 ABRGQCPYJJEYGU-UHFFFAOYSA-N 335.432 4.264 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cn(C)c2ccccc12 7702606 YVPNNXQDNXBDHH-UHFFFAOYSA-N 346.386 4.008 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)CCC2 8705490 MRAFRONYQXSARA-ZDUSSCGKSA-N 349.459 4.238 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl 9141861 PAVYUJIDTYIMDM-UHFFFAOYSA-N 330.815 4.495 0 40 EIAB Cn1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c2ccccc21 9221415 RBWLRMQWWBVMMC-UHFFFAOYSA-N 348.402 4.472 0 40 EIAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1F 9496976 KOTLTEPXZQGFOR-XYOKQWHBSA-N 343.379 4.459 0 40 EIAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 9499633 HTUKVBGZMCMWEH-ZDUSSCGKSA-N 329.421 4.017 0 40 EIAB Cc1ccc(-n2nc(CSc3nc4ccccc4o3)cc2O)cc1 10157350 CFSVDQBWKVJOQU-UHFFFAOYSA-N 337.404 4.320 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 11400233 RTUJFMCEWWDZQS-ZDUSSCGKSA-N 328.437 4.073 0 40 EIAB CCN(CC)C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 12758649 PFAUFLHNTLLIFD-UHFFFAOYSA-N 343.427 4.222 0 40 EIAB Cc1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1F 12780415 HTUHXVCVMOQIMH-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 12986002 KAMRRKVTCXLKFK-UHFFFAOYSA-N 331.419 4.230 0 40 EIAB Fc1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13684961 SVDZIKPVZSCDAN-UHFFFAOYSA-N 347.378 4.207 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c(OC)c1 13816224 PIMNXTQOXBWPMV-ZDUSSCGKSA-N 330.453 4.060 0 40 EIAB COc1cc(C(C)=O)ccc1OC(=O)c1cc(F)c(F)cc1Cl 14789360 DMHNFALKGRPPKY-UHFFFAOYSA-N 340.709 4.049 0 40 EIAB Cn1c(Cl)cnc1CN1CCc2sccc2[C@@H]1c1ccccc1 15033968 FMRZVCIRPGEZRN-SFHVURJKSA-N 343.883 4.283 0 40 EIAB CN(Cc1cccc(F)c1)Cc1nnc(-c2ccccc2Cl)o1 15300412 FBMSQZPUAQBGNT-UHFFFAOYSA-N 331.778 4.161 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)c1 15577082 ODBQXDBZNDBNFP-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2cc(C)ccc2C)cc1 16655643 UNUMXHYLJUXLKU-OAHLLOKOSA-N 341.476 4.476 0 40 EIAB COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)C(C)C)cc1 19310903 SRNJQXPLJFBHOB-KUHUBIRLSA-N 345.414 4.115 0 40 EIAB Cc1ncsc1-c1nnc(C2CCN(CC3CCCCC3)CC2)o1 19563173 YPOSTMXOKPVTSK-UHFFFAOYSA-N 346.500 4.261 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20030222 LTMOIYDUAKMGGI-YGLIYXGISA-N 327.449 4.308 0 40 EIAB O=C(NCCCSc1ccc(F)cc1)c1ccc(O)c(Cl)c1 24729516 INKTXTMXQKRWDP-UHFFFAOYSA-N 339.819 4.097 0 40 EIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2c3c(cccc13)CC2 24871987 OQZZAOYKMZCQEY-UHFFFAOYSA-N 345.398 4.238 0 40 EIAB COc1cccc2cc([C@H](C)NC(=O)c3cn(C)c4ccccc34)oc12 25734114 GRMYFVNIOZLOSO-ZDUSSCGKSA-N 348.402 4.424 0 40 EIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cn1 26089292 GMRWRZBXBGXVAF-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CC(=O)c1sc(NC(=O)Nc2ccccc2C(F)(F)F)nc1C 27925416 UOUIJQIISIIEAB-UHFFFAOYSA-N 343.330 4.317 0 40 EIAB O=C1C(O)=C[C@@]2(c3cccc(Cl)c3Cl)Nc3ccccc3N12 36612434 WWDZHIYVZWQXLG-MRXNPFEDSA-N 333.174 4.060 0 40 EIAB CC[C@H](C)[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 40146181 COVQRQYKVLFGSW-GTNSWQLSSA-N 343.377 4.358 0 40 EIAB CNC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(C)cc1 41154822 FUEVJWZWWDMRDG-UHFFFAOYSA-N 338.432 4.469 0 40 EIAB Cc1noc(C)c1CN(C)Cc1nc(-c2ccc(C(C)C)cc2)no1 42132943 LQXSVJWWFOEBNM-UHFFFAOYSA-N 340.427 4.097 0 40 EIAB COc1ccccc1CN(C)C(=O)CSc1ccc(Cl)cc1 44840073 PKUBEWCLENHRDR-UHFFFAOYSA-N 335.856 4.099 0 40 EIAB CNC(=O)Nc1cccc(NC(=O)c2ccccc2SC(C)C)c1 53237099 RIRILGQZFBIIDZ-UHFFFAOYSA-N 343.452 4.191 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 61108197 LTAOYZYCXCCJSM-UHFFFAOYSA-N 333.435 4.417 0 40 EIAB Cc1cccnc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 63535781 JNIOCFRYCNSKIW-UHFFFAOYSA-N 343.430 4.205 0 40 EIAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1nc(C(C)(C)C)cs1 71882929 OXZZZYXRWQZHCA-LLVKDONJSA-N 343.452 4.002 0 40 EIAB C[C@@H](c1cccnc1)N(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 73337648 SEBIHXFDGZNNRP-NSHDSACASA-N 339.420 4.251 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N3CCCCC[C@H]3CC(C)C)c2)o1 73922642 ZGSHSDXPDHGWFA-SFHVURJKSA-N 341.455 4.476 0 40 EIAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc2cnccc12 79100230 BUUQRDQFVAIUHT-CQSZACIVSA-N 335.407 4.035 0 40 EIAB CCCn1nccc1NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 84759135 RZEHKICELCSIJK-PXNSSMCTSA-N 338.455 4.226 0 40 EIAB CN(Cc1ccncc1)C(=O)Nc1ccccc1N(C)C1CCCC1 89363776 ZSIGLTJSEPQBPE-UHFFFAOYSA-N 338.455 4.124 0 40 EIAB O=C(NCc1cc(Cl)ccn1)Nc1ccccc1C(F)(F)F 89813302 GHSDLJWJNIAYHM-UHFFFAOYSA-N 329.709 4.076 0 40 EIAB Cc1nnc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 95987513 JIFPGVBIHVZCGS-AWEZNQCLSA-N 327.375 4.106 0 40 EIAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCCOC(C)(C)C 95992784 FSCKSJUCWQLJAG-HZPDHXFCSA-N 346.515 4.340 0 40 EIAB CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1 97673610 QOBCVKPDFCTKJD-UHFFFAOYSA-N 340.345 4.480 0 40 EIAB Cc1noc(CSc2nc(C)c(C)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 106556803 ASIGNLLVINEXRB-SYAUCNOPSA-N 346.500 4.481 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 113945924 NLDTXTBXDRAEBH-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB Cc1nc(C(=O)N2CCS[C@H](c3ccccc3C)CC2)cs1 219267204 CBQOSJCJCVGTLK-INIZCTEOSA-N 332.494 4.080 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccc(Cl)cc1 224432574 ZMEYVZAKAAXXBP-QGZVFWFLSA-N 331.843 4.165 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)c1ccccc1 224444658 VQOQAYDZZUOSQZ-KBXCAEBGSA-N 331.843 4.417 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 225176211 NUPDYWDMNHAGFD-KRWDZBQOSA-N 325.452 4.208 0 40 EIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225649541 ORQNBXCFZGDBOG-FQEVSTJZSA-N 327.424 4.409 0 40 EIAB CSc1ccccc1NC(=O)c1snnc1-c1ccc(F)cc1 225781370 VFLPSNXDGHVNKX-UHFFFAOYSA-N 345.424 4.318 0 40 EIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1cc(C)cc(C)c1 225785146 CLFDTKDSNHJUML-OAHLLOKOSA-N 344.480 4.066 0 40 EIAB COC(=O)c1ccc(Cc2ccc(C)cc2)n1Cc1ccc(F)cc1 226029948 LRUQHEMBSDNWLM-UHFFFAOYSA-N 337.394 4.361 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@@H]2C)c(C)c1 226284821 SKZCNVJRRBSYFK-ZDUSSCGKSA-N 328.378 4.289 0 40 EIAB Nc1cc(-c2ccc(C(=O)N3CCc4ccccc43)o2)ccc1Cl 226304385 RVWXABDFGFLDNH-UHFFFAOYSA-N 338.794 4.385 0 40 EIAB COCCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408914346 WJFBXBKADUNUMZ-SAPNQHFASA-N 329.827 4.033 0 40 EIAB CCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1 64874 AWYXXCXEQLBJPO-UHFFFAOYSA-N 336.391 4.472 0 40 EIAB O=c1oc2ccccc2cc1-c1csc(Nc2ccc(O)cc2)n1 70760 DRNKTKCWLSOZSI-UHFFFAOYSA-N 336.372 4.366 0 40 EIAB COc1ccc(Nc2cc(Nc3ccc(OC)cc3)nc(C)n2)cc1 315249 NLXUUTWBTJESRO-UHFFFAOYSA-N 336.395 4.289 0 40 EIAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ccccc21 417152 GZJIBWHHJLTCOK-UHFFFAOYSA-N 339.464 4.404 0 40 EIAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 525374 PQSNQKANUARPFM-UHFFFAOYSA-N 346.455 4.158 0 40 EIAB COc1ccc(OC)c([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1 817723 XQAQDTYKHUMSLJ-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 2654544 WZTDZJHFPVDSSH-UHFFFAOYSA-N 338.451 4.257 0 40 EIAB CCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3248638 YQCSZEXFTCNOLF-UHFFFAOYSA-N 332.375 4.166 0 40 EIAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(Cl)cc2)c1 3491208 CTHKWOFROYHODC-UHFFFAOYSA-N 329.827 4.236 0 40 EIAB O=C(CC1CCCCC1)Nc1ccc(-c2cn3cccnc3n2)cc1 4950085 OMJOIZVAHCOTHD-UHFFFAOYSA-N 334.423 4.305 0 40 EIAB COc1ccccc1-n1cnnc1S[C@@H](C)c1ccc(F)cc1 6082000 RIFHNPTURUECDS-LBPRGKRZSA-N 329.400 4.268 0 40 EIAB CCCCc1ccc(-n2nc3cc(N)c(Br)cc3n2)cc1 6264747 UUEXBJJCDKBNBM-UHFFFAOYSA-N 345.244 4.108 0 40 EIAB O=C(/C=C/c1cccc(Cl)c1)OCc1cn2cc(Cl)ccc2n1 6567035 BSWFIUKXQUULRG-QPJJXVBHSA-N 347.201 4.398 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ncc(Cc2ccccc2)s1 6879682 NYMBAFOEIBWJQW-UHFFFAOYSA-N 347.443 4.396 0 40 EIAB O=C(CSCc1ccccc1)N[C@@H](c1ccccc1)c1ccco1 8391194 DYRAVWBJBOYQNF-FQEVSTJZSA-N 337.444 4.419 0 40 EIAB CCCCCNC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C 8770606 HLPVUWHEKIJBAT-UHFFFAOYSA-N 346.456 4.016 0 40 EIAB Cc1cc(C)c2oc(C(=O)N3CCCc4ccccc43)cc(=O)c2c1 8843779 LQJYJJFYWRRZMI-UHFFFAOYSA-N 333.387 4.003 0 40 EIAB COc1ccccc1-c1nnc(NC(=O)c2cccc(Cl)c2)s1 9331809 KZYBDMZMUWBXMX-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB O=C1CSc2ccc(C(=O)Nc3cccc4ccccc34)cc2N1 9459008 OXCXTVYEYDBZOO-UHFFFAOYSA-N 334.400 4.136 0 40 EIAB Cc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc2n1 9900395 RGLPTBMXPXEPIK-UHFFFAOYSA-N 341.414 4.223 0 40 EIAB CSc1nc(C)cc(Nc2ccc(C(=O)OCC(C)C)cc2)n1 11907736 LXRUBDVLTQVZAI-UHFFFAOYSA-N 331.441 4.063 0 40 EIAB CC(C)c1ccc(C[S@@](=O)[C@H](C)C(=O)Nc2ccccc2)cc1 12913478 TZUBGIYRPVHHGZ-CMJOXMDJSA-N 329.465 4.086 0 40 EIAB COc1ccc(CCC(=O)NCC2(c3cccs3)CCCC2)cc1 13803084 SJSRASAWDLSTBA-UHFFFAOYSA-N 343.492 4.318 0 40 EIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1C 13930892 YWWKVZMCSWHAHX-CYBMUJFWSA-N 328.437 4.080 0 40 EIAB CNCc1cc2ccc(OC)cc2nc1OCc1ccccc1Cl 14885908 IAWJOJCAZBLVMS-UHFFFAOYSA-N 342.826 4.195 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc2ccccc2[nH]1 16694817 IODPLDGVVCZHDP-UHFFFAOYSA-N 341.414 4.089 0 40 EIAB Cc1cc(OCC(=O)N(C)Cc2ccc(Cl)cc2)ccc1Cl 20111259 AVKAAKZEDAJODW-UHFFFAOYSA-N 338.234 4.339 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)n[nH]2)s1 23108129 XFYMKCYYXICNAE-ZIAGYGMSSA-N 329.469 4.099 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(OC(C)=O)cc1 23224228 URVVCGSPTIGYAC-UHFFFAOYSA-N 341.407 4.170 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 24987448 OXKHFJXCCPQAIR-OKILXGFUSA-N 346.858 4.432 0 40 EIAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccsc1 25330017 PVKCEKGPNTZONJ-CYBMUJFWSA-N 343.279 4.088 0 40 EIAB Cc1ccc2c(C)c(C(=O)NCC3(N(C)C)CCCCC3)oc2c1C 27579794 ATGUSDWMFSLPGI-UHFFFAOYSA-N 342.483 4.352 0 40 EIAB CC(=O)c1sc(NC(=O)Nc2ccc(F)c(Cl)c2)nc1C 27925381 QHLJLOGKTCEXJR-UHFFFAOYSA-N 327.768 4.091 0 40 EIAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nc2ccccc2[nH]1 29268664 VAUNYTCFYLNXCD-ZDUSSCGKSA-N 337.448 4.023 0 40 EIAB Fc1ccc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 32759705 TXKXFMNJHYVCMU-UHFFFAOYSA-N 329.806 4.291 0 40 EIAB Cc1ccc2nc(CSc3cc(C)nc4ccccc34)cc(=O)n2c1 32778692 JBKHCDFBKULLMQ-UHFFFAOYSA-N 347.443 4.152 0 40 EIAB O=C(NCCc1ccccc1F)c1ccccc1SC(F)(F)F 32816222 ZLHSLQLQGVAPCJ-UHFFFAOYSA-N 343.345 4.410 0 40 EIAB O=C(c1sc2cccc(F)c2c1COc1ccccc1)N1CCC1 32893624 VHADMWOULKNHOC-UHFFFAOYSA-N 341.407 4.465 0 40 EIAB Cc1n[nH]c2c1[C@H](c1ccc(OCC(C)C)cc1)SCC(O)=N2 44890545 GRBXJOTYVBAMCZ-INIZCTEOSA-N 331.441 4.177 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C)c3)n[nH]2)cc1 51315506 UXAHKCOPWCJDIE-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB CN1C(=O)N(c2ccccc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 58201571 DFCBZKAJXIFKDK-CQSZACIVSA-N 335.190 4.133 0 40 EIAB Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)n(-c2ccccc2)n1 58305177 LWWSORBKRFPGQJ-UHFFFAOYSA-N 344.418 4.083 0 40 EIAB COc1cccc2c1ccn2CCC(=O)Nc1ccc2cc[nH]c2c1 62001415 YNCGTWYUWUWWQA-UHFFFAOYSA-N 333.391 4.160 0 40 EIAB biogenic CCSc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ccn1 64705847 IFDOOHGDLCBXST-MRXNPFEDSA-N 326.465 4.044 0 40 EIAB OC1(CSc2nnc(Nc3ccccc3F)s2)CCCCC1 65169011 BVOPVYBKQPYGDO-UHFFFAOYSA-N 339.461 4.208 0 40 EIAB CSc1cccc(NC(=S)Nc2ccc(NC(C)=O)cc2)c1 71761332 GXQHKQOULSFFPN-UHFFFAOYSA-N 331.466 4.176 0 40 EIAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1C(=O)OC(C)(C)C 72219218 OEFMBBFLBUHEPM-QGZVFWFLSA-N 345.487 4.452 0 40 EIAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2C(C)C)on1 72341123 PAHVYNYCXSEDFD-UHFFFAOYSA-N 326.375 4.315 0 40 EIAB Cc1ccc2nc(-c3cc(N)cc(Br)c3O)oc2c1C 73634578 UCBJRDQRRCRFQW-UHFFFAOYSA-N 333.185 4.162 0 40 EIAB CCOc1ccc(-c2nc(-c3ccccc3Cl)n[nH]2)cc1OC 85384400 JFOHDXGLDOQXIE-UHFFFAOYSA-N 329.787 4.199 0 40 EIAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccsc1 85474131 ZSJOQKOYRIXKGE-UHFFFAOYSA-N 333.459 4.032 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccco1 95381712 NZRUSEYMSRVDCX-NEPJUHHUSA-N 338.329 4.107 0 40 EIAB CCN(CC)c1ccc(-c2nc3cnccc3o2)cc1Br 216884942 ZSDUBBZOCKYEAZ-UHFFFAOYSA-N 346.228 4.499 0 40 EIAB O=C(Nc1c(F)cccc1F)N1CCS[C@H](c2ccco2)CC1 219431473 ZUDLHPIDPNUARQ-AWEZNQCLSA-N 338.379 4.270 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c(C)c1 219526198 OBMNZVLCWXFOAF-INIZCTEOSA-N 345.870 4.473 0 40 EIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 222951792 RXNNVCSCJVMDDX-ROUUACIJSA-N 342.512 4.237 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc(C)cc1C 224477152 RROISJZBHMNTEW-UHFFFAOYSA-N 349.430 4.274 0 40 EIAB Cc1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)n1 225570045 LFWQGAVYTLBXPH-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB O=C(CSC1CCCC1)N1CCc2cc(-c3ccncc3)ccc21 225639364 DZIQUZKIHAVFEA-UHFFFAOYSA-N 338.476 4.314 0 40 EIAB CCOc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225848430 SMQIBXFABYTCBG-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB CC[C@H](C)O[P@@](=O)(O[C@H](C)CC)[C@@H](O)C(Cl)(Cl)Cl 254450714 YNPDVDFFTXYYSL-OQNDHLNYSA-N 341.599 4.498 0 40 EIAB Cc1ccc(CSCCNC(=O)c2ccc(OC(C)C)cc2)cc1 408679587 OFZCLJLCQYIPTQ-UHFFFAOYSA-N 343.492 4.445 0 40 EIAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 409204335 FROMUXOQCVBCOQ-VZCXRCSSSA-N 340.423 4.251 0 40 EIAB c1ccc2c(c1)OCC[C@]21C[C@H]1c1nc(-c2cccc3[nH]ccc23)no1 554794911 PBNJBXXPBDTSJS-KKSFZXQISA-N 343.386 4.426 0 40 EIAB O=C(O)c1cc2cc(CN3CCC[C@]4(CC=CCC4)C3)ccc2o1 578369219 AJDRVPVNFZNGBS-HXUWFJFHSA-N 325.408 4.453 0 40 EIAB CC1(C)CCC(N2CCC(O)(COc3ccccc3F)CC2)CC1 585281754 QTISXDVSLBGXQR-UHFFFAOYSA-N 335.463 4.000 0 40 EIAB Cc1c(C(=O)O)c(-c2cccc(Cl)c2Br)cn1C 1535647058 ANFCYLIXUSVZLQ-UHFFFAOYSA-N 328.593 4.115 0 40 EIAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 70654 SUFRJZGOFMTHPI-LJQANCHMSA-N 349.434 4.077 0 40 EIAB CC(C)C(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 557355 FAWRNNAQRHOXDN-UHFFFAOYSA-N 348.280 4.072 0 40 EIAB Cc1cc(C)cc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 2447304 FECLHZKINHTFKQ-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccc2ccccc2n1 3283792 UFOCXGXZMRAEAF-UHFFFAOYSA-N 345.171 4.389 0 40 EIAB FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2)c(Cl)c1 3310523 UTDHUFHCAIRSMC-UHFFFAOYSA-N 346.765 4.067 0 40 EIAB CSc1nnc(SCC(=O)Nc2cccc3ccccc23)s1 3552554 CTLUWIIBPASPAZ-UHFFFAOYSA-N 347.490 4.144 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(C)cc2Br)c1 3958854 HFBRQBNRZSESFT-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CCC(=O)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 4340116 UJEKNTNFTOSTRV-UHFFFAOYSA-N 328.751 4.429 0 40 EIAB biogenic COc1cccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)c1 4588449 IISIBFKGPBWXOT-GDNBJRDFSA-N 347.292 4.059 0 40 EIAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C)cc1 5053711 MZUXYDJXDUSVQG-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB O=c1[nH]cnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 5218732 PMAZJNLQPMCFRD-UHFFFAOYSA-N 333.416 4.079 0 40 EIAB Cc1cc(NC(=O)c2ccc(N(C)C)cc2)ccc1Br 5336857 FVWSXYXGZQVJGC-UHFFFAOYSA-N 333.229 4.076 0 40 EIAB COc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1Cl 5463666 NIUPPXQXTPMJPE-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB CC(C)=CCC[C@@H](C)CCOC(=O)CCC(=O)Nc1nccs1 5722959 CLRVJBYUYCQVCJ-CQSZACIVSA-N 338.473 4.178 0 40 EIAB COc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 6061805 AJRSJZHAZOLRQA-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB Cc1ccc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 6204851 HNWGAZSWGPXAOS-UHFFFAOYSA-N 343.386 4.007 0 40 EIAB S=C(NCCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 6507809 XRJAYIIZYOKIMN-UHFFFAOYSA-N 339.508 4.206 0 40 EIAB CCCCc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1 6564526 DGRURXFSDDXAJF-UHFFFAOYSA-N 340.452 4.031 0 40 EIAB FC(F)(F)c1cnc(NC(=S)NC2CCCCC2)c(Cl)c1 6925605 SGBRHOSETRLCRK-UHFFFAOYSA-N 337.798 4.373 0 40 EIAB C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1 7597379 PDVCIDCXPSBUJJ-AWEZNQCLSA-N 330.387 4.401 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1C 8040574 JGUOWUJZZINWHX-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB O=C1CCCN1c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 8324430 FQEAQLLCWYFFIL-UHFFFAOYSA-N 336.416 4.310 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21 9136865 ZXVKORBGDISEEX-UHFFFAOYSA-N 342.464 4.009 0 40 EIAB COc1c(Br)ccc2c1sc1ncnc(Cl)c12 9203976 BSDYKQMTHFNFSJ-UHFFFAOYSA-N 329.606 4.269 0 40 EIAB OC1CCC(Nc2nc(-c3ccsc3)nc3ccccc23)CC1 9313893 IAGYYYCRZRLJGS-UHFFFAOYSA-N 325.437 4.074 0 40 EIAB COc1cc2nc(Cl)nc(N[C@H]3CCCC[C@H]3C)c2cc1OC 11756462 BUYSVTILNANQOD-PWSUYJOCSA-N 335.835 4.291 0 40 EIAB O=c1[nH]cc(-c2ccccc2)cc1CNc1cccc2ncccc12 12143896 GFGZGSONEGHKKI-UHFFFAOYSA-N 327.387 4.202 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)Nc1nc2ccccc2[nH]1 12546422 IJKRWOMPLMXBES-UHFFFAOYSA-N 343.386 4.247 0 40 EIAB O=C(CCc1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1 12615682 IYZKTCBMQCHISU-GOSISDBHSA-N 329.396 4.319 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1Br)c1cccs1 12759825 AHRZAHLNOQYFHW-QMMMGPOBSA-N 328.206 4.141 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N[C@H]1CCSc2c(F)cccc21 12849979 FCUTUJKBAYCEEO-HNNXBMFYSA-N 335.831 4.375 0 40 EIAB CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C)cc1 12923553 FLIDSLLIJNONGY-LJQANCHMSA-N 336.435 4.225 0 40 EIAB COc1ccc(CN(Cc2ccncc2)Cc2cccc(OC)c2)cc1 13570212 NVPSWBCMGQJTKN-UHFFFAOYSA-N 348.446 4.301 0 40 EIAB COc1ccc2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)[nH]c2c1 13571564 HRRXLTIACAATCR-JLTOFOAXSA-N 326.440 4.217 0 40 EIAB Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 14659411 MSGJFIQTSILJQT-UHFFFAOYSA-N 336.416 4.075 0 40 EIAB Cc1ccccc1-c1noc(CN(C)Cc2ccc(Cl)s2)n1 15294354 SSCHNDVHCHMRHI-UHFFFAOYSA-N 333.844 4.392 0 40 EIAB O=C(/C=C/c1ccsc1)OCC(=O)c1ccc(Cl)c(Cl)c1 16685504 JZUCZBYACKJDKF-DAFODLJHSA-N 341.215 4.494 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccccc2)c1 20482725 MKOXDRFOKHTMPW-GOSISDBHSA-N 325.452 4.128 0 40 EIAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662571 TYMVPQCFKSWLKQ-SFHVURJKSA-N 342.508 4.404 0 40 EIAB CN(CC(=O)Nc1ccc2ccccc2c1)[C@H]1CCc2ccccc21 29482975 MNSBBQOFSJMFRT-NRFANRHFSA-N 330.431 4.398 0 40 EIAB COc1ccc(-c2nnc([C@@H](C)Sc3nccn3C3CC3)o2)cc1 29625681 NZWBOABSWMXAMP-LLVKDONJSA-N 342.424 4.130 0 40 EIAB O=C(CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)Nc1ccccc1 32777439 OEPHQDNAOVIPRM-UHFFFAOYSA-N 348.368 4.309 0 40 EIAB COc1cc(OC)c(NC(=O)Nc2ccc3c(c2)CCC3)cc1Cl 39967517 YKMVFWSYZVEQRI-UHFFFAOYSA-N 346.814 4.490 0 40 EIAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 43174972 ZHYRTYKHDRQNML-HNNXBMFYSA-N 339.222 4.157 0 40 EIAB O=c1oc(-c2ccco2)nn1Cc1sc2ccccc2c1Cl 53400543 KXAAVVXCGVRPQC-UHFFFAOYSA-N 332.768 4.013 0 40 EIAB CC(=O)N1CCc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc21 57796961 NNQURERHSROCJM-UHFFFAOYSA-N 349.217 4.155 0 40 EIAB COCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1F 58016959 KTYKKFJQTFMKHP-UHFFFAOYSA-N 330.403 4.286 0 40 EIAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 58325111 MKOIRZZJRJZYCY-MSOLQXFVSA-N 326.827 4.030 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351381 MEDQWOZACAXPAA-BEFAXECRSA-N 329.415 4.477 0 40 EIAB Cc1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)nc(C(C)C)n1 63440997 DLFBMJAVGWVRID-UHFFFAOYSA-N 349.434 4.325 0 40 EIAB CCCCc1nc(C)c(C(=O)Nc2cnc(C(C)(C)C)nc2)s1 69444119 HMRURNAMZQBWEF-UHFFFAOYSA-N 332.473 4.134 0 40 EIAB CCN(CC(=O)N1CCc2ccccc21)[C@@H](C)c1cc2ccccc2o1 72031636 PHVCPXAVFDDSRM-INIZCTEOSA-N 348.446 4.405 0 40 EIAB Cc1cccc2[nH]c(COC(=O)c3ccc(NC(=O)C4CC4)cc3)cc12 72314148 HGCVSNZEVDSGAX-UHFFFAOYSA-N 348.402 4.182 0 40 EIAB O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ncoc1-c1cccs1 76017341 RSGVIRQXPWPROJ-UHFFFAOYSA-N 336.376 4.046 0 40 EIAB COc1ccc(-c2cc(Cl)nc(-c3ccc(OC)cc3)n2)cc1 78401223 IPLRPTOGTHTJGE-UHFFFAOYSA-N 326.783 4.481 0 40 EIAB CC(C)(CNC(=O)NCc1cccc2ccccc12)c1ccncc1 93547911 WEAGTQKLORVGIE-UHFFFAOYSA-N 333.435 4.012 0 40 EIAB CC(C)Oc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1F 95422044 FNBUPEJHUUWKNZ-SHACYNPGSA-N 349.471 4.201 0 40 EIAB C[C@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 95431337 GZPZLIGQTUSICN-JKSUJKDBSA-N 340.423 4.104 0 40 EIAB Cc1ccc(C)c(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c1 95998785 GUXBXKYUEHYKBV-MRXNPFEDSA-N 328.416 4.144 0 40 EIAB Clc1ccc(NC2CCN(Cc3cccnc3)CC2)cc1Cl 96009178 FWFFPVDKLGRZFQ-UHFFFAOYSA-N 336.266 4.465 0 40 EIAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 96058322 BRHNIJMHHONVSZ-FKBYEOEOSA-N 338.470 4.436 0 40 EIAB O=C(NC1CCCCC1)N(Cc1cnc2ccccn12)c1ccccc1 96103002 OGXHAMYRGSZDIL-UHFFFAOYSA-N 348.450 4.383 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1 97098815 DUDVHJXUBHFRCL-SGTLLEGYSA-N 341.386 4.009 0 40 EIAB FC(F)(F)c1ccccc1[C@H]1C=C(c2ccccc2)Nc2ncnn21 100703845 QLBIJKGRRFAPIG-MRXNPFEDSA-N 342.324 4.353 0 40 EIAB C[S@@](=O)Cc1cc(NCc2cnc(C3CC3)s2)ccc1Cl 195559154 CZRJEEZXOURQDB-OAQYLSRUSA-N 340.901 4.165 0 40 EIAB C[S@](=O)Cc1cc(NCc2cnc(C3CC3)s2)ccc1Cl 195559156 CZRJEEZXOURQDB-NRFANRHFSA-N 340.901 4.165 0 40 EIAB O=C(O)c1cc(OCc2cccc3ccccc23)cc(Cl)c1O 216754400 IPCHQVWISJFRBM-UHFFFAOYSA-N 328.751 4.476 0 40 EIAB COc1ccc(C2(NC(=S)Nc3cc(C)ccn3)CCCC2)cc1 225873417 VGVHSXQZASCQJV-UHFFFAOYSA-N 341.480 4.155 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc(N)cc2Cl)c(C)c1 226272327 XRQNXXOQAHLHQX-UHFFFAOYSA-N 331.847 4.329 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@H]1CC[C@@H]2O 245240793 SVLVKYHISIXPST-FIFVOOHXSA-N 332.484 4.401 0 40 EIAB CC(C)(C)C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257282748 OVCSTHJMXVGERX-OAHLLOKOSA-N 344.430 4.157 0 40 EIAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2ccc3ccccc3c2)n1 257339261 ZAYXQOHIFZMAJX-OAQYLSRUSA-N 346.478 4.029 0 40 EIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1 390829707 GAKUXHKTIJQBQW-CYBMUJFWSA-N 326.371 4.002 0 40 EIAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3)sc1CC2 409052761 MBFHGRBHFAVFNF-UHFFFAOYSA-N 336.416 4.170 0 40 EIAB Cc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(F)cc1 409198383 FGMFVLMNNNXDJN-UZYVYHOESA-N 344.386 4.081 0 40 EIAB CSc1cccc(NC(=O)c2[nH]nnc2-c2cccc(Cl)c2)c1 575607809 PBRGXUVSOZIJLT-UHFFFAOYSA-N 344.827 4.099 0 40 EIAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccccc1C(F)(F)F 575620919 ROHNAJSDMDTFKT-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@@H](C)C(C)(C)C 585087500 YIWNSULFNVRYOB-RDTXWAMCSA-N 326.440 4.092 0 40 EIAB Cc1nc(-c2ccc(C(=O)N3CCC[C@@H]3C(F)(F)F)cc2)cs1 585127631 FZKXUOXQHURAST-CQSZACIVSA-N 340.370 4.285 0 40 EIAB Cc1ccc(-c2cccnc2)cc1NC(=O)NCC[C@H]1CC1(F)F 621463301 OGDMMQLBIXUAMM-HNNXBMFYSA-N 331.366 4.224 0 40 EIAB C[C@@H]1CCCC[C@H]1CC(=O)N1CCC(c2ccnc(Cl)n2)CC1 1615003042 AHTLPFJOOWQIHS-HIFRSBDPSA-N 335.879 4.052 0 40 EIAB CC(C)c1nccn1CC1CN(Cc2ccc(Cl)cc2Cl)C1 2087139735 DWGWUSFVMUDSMR-UHFFFAOYSA-N 338.282 4.445 0 40 EIAB CC(=O)N1[C@H](Nc2ccc(Cl)cc2)C[C@H](C)N1c1ccccc1 282723 ADQFNWFAIRDXIZ-UGSOOPFHSA-N 329.831 4.140 0 40 EIAB CCC(=O)c1ccc(OC(=O)c2ccccc2Br)cc1 353659 CGCLEYFCFJMMFA-UHFFFAOYSA-N 333.181 4.261 0 40 EIAB CCc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 427351 LJEDLUWQSJDZLM-UHFFFAOYSA-N 337.448 4.166 0 40 EIAB COc1ccccc1OCCn1cc(C(=O)C2CC2)c2ccccc21 578888 OTALBFKJUXGLGY-UHFFFAOYSA-N 335.403 4.322 0 40 EIAB CC[C@@H](Oc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 579802 XTSZFNRBCGRTQV-OAHLLOKOSA-N 340.379 4.284 0 40 EIAB CC(C)N1C(=O)S/C(=C\c2cccn2-c2ccc(F)cc2)C1=O 1018443 JISBNTZNHYUXTA-GDNBJRDFSA-N 330.384 4.061 0 40 EIAB O=C(NCc1cccs1)c1cccnc1Nc1cccc(Cl)c1 1376154 XRMWXRQRYDDYGD-UHFFFAOYSA-N 343.839 4.470 0 40 EIAB Nc1ccc(-c2ccc(N)c(Br)c2)cc1Br 1706213 QWUSZGIKGARVEC-UHFFFAOYSA-N 342.034 4.043 0 40 EIAB biogenic CC1(C)COC(CCCC(=O)c2cc(F)c(Cl)cc2F)OC1 2518175 MCOKSVIFWFHANM-UHFFFAOYSA-N 332.774 4.370 0 40 EIAB Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 3547915 DCLADOFXYLAYMQ-UHFFFAOYSA-N 336.391 4.431 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccccc2)s1 4078999 OHJJUBREJIHGQF-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COCCn1cc(NC(=O)Nc2ccc(C)c(F)c2)c2ccccc21 5266545 GHSCTVGIXHAEIV-UHFFFAOYSA-N 341.386 4.379 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 5560647 WNOHCNQDOQBDGF-XXWNAHEMSA-N 345.508 4.432 0 40 EIAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1N)c1ccccc1Cl 6532737 NQZSVZGTKAYUHG-SNVBAGLBSA-N 348.834 4.305 0 40 EIAB Cc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 7062531 KIEOMCAKWWMYKD-FQEVSTJZSA-N 339.435 4.283 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1cc(F)cc(F)c1 7304510 ZKRUURQWWSZLQA-UHFFFAOYSA-N 326.140 4.288 0 40 EIAB O=C(O)COc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1 7914570 OHESMODQEXIBJR-LCYFTJDESA-N 329.739 4.028 0 40 EIAB Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 10260388 NMYLTKHWYYNSEW-UHFFFAOYSA-N 334.423 4.283 0 40 EIAB CC(=O)c1c(C)nc(O)nc1SCc1ccc(C(C)(C)C)cc1 10915133 GMQYFJZSGKVQGV-UHFFFAOYSA-N 330.453 4.283 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1C 11636971 CKQFNHIQSIGNMO-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB O=C(NC1CCCCC1)C1=Cc2cc(Br)ccc2OC=C1 12274574 GFEWTRMYBLOTAK-UHFFFAOYSA-N 348.240 4.188 0 40 EIAB Cc1ccnc(NC(=O)CCCc2ccc(Br)s2)c1 12516894 IZXIBJXIRHLESU-UHFFFAOYSA-N 339.258 4.175 0 40 EIAB O=C(NCc1ccccn1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12527759 JDVGGOZJTREQIH-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB COc1ccccc1CC(=O)Nc1ccc(Cl)c2cccnc12 12781985 UCUJBQOGKCUFTQ-UHFFFAOYSA-N 326.783 4.078 0 40 EIAB COc1ccc(C(C)=O)cc1CN(Cc1ccco1)Cc1ccco1 12900460 UIDDCFYMQHBCCS-UHFFFAOYSA-N 339.391 4.286 0 40 EIAB O=C1CC[C@H](c2nc3ccccc3[nH]2)N1Cc1ccc(Cl)cc1 12967537 UFKPKXMTQNHEKA-MRXNPFEDSA-N 325.799 4.080 0 40 EIAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1NCc1ccco1 13943809 DKJYZTVZGIUPOS-QRWLVFNGSA-N 336.435 4.169 0 40 EIAB Cc1cc(Cl)ccc1OC(=O)CC[C@@H]1Cc2ccccc2NC1=O 14849313 TWIPESGLGLDFEK-CQSZACIVSA-N 343.810 4.145 0 40 EIAB CC[C@H]1CCCCN1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 15256485 KCCXMAVTDNUQDR-SFHVURJKSA-N 331.504 4.124 0 40 EIAB O=Cc1ccc(OCCCSc2nnc(-c3ccccc3)o2)cc1 15422786 SUBXOGKPRHNEQR-UHFFFAOYSA-N 340.404 4.110 0 40 EIAB COc1ccc(-c2ccc(CCC(=O)NC3CCCCC3)o2)cc1 16705369 UZSYBYKEVMLNNX-UHFFFAOYSA-N 327.424 4.337 0 40 EIAB COc1ccccc1[C@@H]1CC(=O)c2cnn(-c3ccc(C)cc3)c2C1 17068323 PHQDKCJYQJVOFY-HNNXBMFYSA-N 332.403 4.102 0 40 EIAB Cc1c(CN2CCC(COc3ccccn3)CC2)[nH]c2ccccc12 19565895 WRZNGWUCMWGATI-UHFFFAOYSA-N 335.451 4.162 0 40 EIAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1-c1ccc(CO)o1 20136978 NTZFRMZXZYSCAC-UHFFFAOYSA-N 348.613 4.056 0 40 EIAB Cc1cc(NC(=O)Nc2ccc(Br)cc2Cl)no1 20356895 JTJFYHJPDQYEMQ-UHFFFAOYSA-N 330.569 4.043 0 40 EIAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OC 22074668 ZSFKNDIBCNLLGL-UHFFFAOYSA-N 337.822 4.219 0 40 EIAB O=Cc1cccc(OCc2nc(-c3ccc(Cl)cc3Cl)no2)c1 22120813 XNMTZKIZAGDDSK-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB CCOc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1OCC 22509988 LNYDEHQDYAAFBH-UHFFFAOYSA-N 341.451 4.075 0 40 EIAB Cc1noc(C(C)C)c1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 23032781 WEBCZIPFJCRGLE-GFCCVEGCSA-N 340.379 4.016 0 40 EIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)c(F)c1 24277148 QMMBYWDWMOTPPL-YERXGYGTSA-N 345.439 4.445 0 40 EIAB O=C(C[C@@H]1C=CCC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 25910469 JKPZOIDHCSJDSS-HUUCEWRRSA-N 342.464 4.165 0 40 EIAB C[C@@H](NC(=O)c1cccc(F)c1F)c1ccc(-n2cccc2)cc1 28221062 ZOBINTWXZRSMHE-CYBMUJFWSA-N 326.346 4.247 0 40 EIAB CCc1ccccc1NC(=S)N1C(=O)CSc2cc(C)ccc21 28527763 QEYNQUBXDRIYIM-UHFFFAOYSA-N 342.489 4.393 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSc2ccccc2)c1 30856259 SBWMGZLVAPJFMS-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB O=C(CC1CCCCC1)NCc1ccnc(OCc2ccccc2)c1 32930407 GYNUHVDNFIAKBL-UHFFFAOYSA-N 338.451 4.247 0 40 EIAB O[C@@H](CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 33015074 NLYDMZIZDAUGBL-AEFFLSMTSA-N 338.476 4.209 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1ccccc1 40286816 YHWZJDGHWFIVDF-OAHLLOKOSA-N 332.359 4.299 0 40 EIAB Brc1ccc(CNNc2nc3ccccc3s2)cc1 40542191 SLUBQSNGNLYQBA-UHFFFAOYSA-N 334.242 4.176 0 40 EIAB CCC(=O)Nc1cccc(NC(=O)NCc2ccccc2Cl)c1 44106705 RJUQJRWRJYMZGD-UHFFFAOYSA-N 331.803 4.010 0 40 EIAB COc1ccc([C@H]2CC(c3ccccn3)=NN2c2ccccc2)cc1 44973462 AMAYVBHOQWHADI-OAQYLSRUSA-N 329.403 4.446 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 48276245 RFMDRSOEPSHPEA-AWEZNQCLSA-N 343.477 4.485 0 40 EIAB COC(=O)c1ccc(CN(C)[C@H](C)c2nc3ccccc3s2)cc1 57381180 DXUALNISRSIHKE-CYBMUJFWSA-N 340.448 4.276 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351373 BEDDBVZWXPIDDY-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB Brc1ccc(-n2ccnc2SCc2ccncc2)cc1 60710146 HMMMRVMBRMQXAX-UHFFFAOYSA-N 346.253 4.322 0 40 EIAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(C2SCCS2)cc1 64347601 QBBXUBHRVJPJNV-UHFFFAOYSA-N 345.493 4.326 0 40 EIAB Cc1ccccc1-c1noc(C[S@](=O)Cc2cccc(Cl)c2)n1 69808421 HEYLQDCVEZDYSN-QHCPKHFHSA-N 346.839 4.147 0 40 EIAB COc1ccccc1C[C@@H](C)CC(=O)Nc1c(C)nn(C(C)C)c1C 71884576 PUXRWHMMERXRPB-CQSZACIVSA-N 343.471 4.297 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC 72214815 XATRQVLAGUSUDS-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 72215250 JNIDWZWTACDBFO-HOCLYGCPSA-N 333.476 4.436 0 40 EIAB COc1cccc(CNc2ncc(-c3cc(C)no3)c(C(C)C)n2)c1 72341124 VFMRLBPCAYBPBJ-UHFFFAOYSA-N 338.411 4.184 0 40 EIAB C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 84651630 PEHSZQSXMONZJG-MYYSRTQBSA-N 348.512 4.017 0 40 EIAB Cc1nc(-c2ccc(OCc3ccccc3)c(C(=O)O)c2)cs1 85397494 HLLZGPFRMPJJCS-UHFFFAOYSA-N 325.389 4.396 0 40 EIAB C[C@@H](NCCc1c[nH]c2ccccc12)c1ccc(N2CCOC2=O)cc1 95419127 WGLAKFHQSNRDKD-OAHLLOKOSA-N 349.434 4.018 0 40 EIAB O=C(Nc1cccc(Cl)c1)N(Cc1cnc2ccccn12)C1CC1 96097136 KPMCXVSKTSUCNL-UHFFFAOYSA-N 340.814 4.184 0 40 EIAB Cc1cc2oc(=O)cc(-c3cc4c(CO)cnc(C)c4o3)c2cc1C 96114392 SMAJYURNFIWGLY-UHFFFAOYSA-N 335.359 4.019 0 40 EIAB biogenic C[C@H](CN(C)C(=O)NC1CCC(C(F)(F)F)CC1)c1nccs1 96502060 MDRLLWLRQMHYAL-VOMCLLRMSA-N 349.422 4.009 0 40 EIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 100237531 FPFRIIVGTRKFAQ-DPDCMNJDSA-N 348.229 4.251 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(C(C)(C)C)cc1 101461871 QCVHBLZOVBSWGI-GOSISDBHSA-N 334.419 4.206 0 40 EIAB C[C@@H]1[C@@H](NC(=O)[C@@H](C)Sc2nc3ccccc3o2)CCC[C@H]1C 195530177 BCRLLYGESUBULV-RQJABVFESA-N 332.469 4.249 0 40 EIAB COC(=O)c1cn(C(=O)[C@@H](C)Sc2ccccc2)c2ccccc12 222570767 HOCVFAUDCGPFQW-CYBMUJFWSA-N 339.416 4.249 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1ccc(C)c(C)c1 223884966 QTOOWTGHOMKZEA-OAQYLSRUSA-N 337.463 4.438 0 40 EIAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COCC(C)C 224445706 AWVPYZRVBSDQDQ-UHFFFAOYSA-N 345.483 4.488 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)cc1C 225331715 WKONHNNXNNRXQG-SFHVURJKSA-N 339.435 4.344 0 40 EIAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225575727 RCOGIQRDBNAQPW-MRXNPFEDSA-N 342.464 4.284 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1 226036739 UJTBPAWHQIGGQS-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB Clc1ccccc1Cc1cnc([C@H]2CCCN2c2ncccn2)o1 257335506 YKLBXYJABJLOFM-MRXNPFEDSA-N 340.814 4.050 0 40 EIAB CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2cc(C)ccc21 408712938 CFPYAJDCERYDTQ-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB Oc1cccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1Cl 507267805 NIRSCZIWMOQVTN-INIZCTEOSA-N 338.234 4.273 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 795626893 ROJNVZSMYGPZBR-CQSZACIVSA-N 347.390 4.338 0 40 EIAB Cc1c(-c2cccc(Br)c2)c(=O)oc2cc(O)ccc12 57824 UROPOWFTHJUJKK-UHFFFAOYSA-N 331.165 4.237 0 40 EIAB biogenic O=C1C[C@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)OCO3 94852 DNKMPLLKUOEGFO-SECBINFHSA-N 336.174 4.196 0 40 EIAB O=C1C(Nc2ccccc2)=C[C@@H](c2ccc(O)cc2)N1c1ccccc1 191526 UEOMAONEBCYQBF-NRFANRHFSA-N 342.398 4.476 0 40 EIAB Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(Br)cc1 196351 NRDPJDDJPMQPSX-UHFFFAOYSA-N 349.615 4.110 0 40 EIAB COc1ccc(-c2nc3ncccn3c2Nc2ccccc2C)cc1 428777 GJRURTUGKYJTJS-UHFFFAOYSA-N 330.391 4.457 0 40 EIAB Cc1cccn2c(NC[C@@H]3CCCO3)c(-c3ccc(F)cc3)nc12 904163 PWHUGWXMODROND-INIZCTEOSA-N 325.387 4.040 0 40 EIAB CCCOc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 1907229 TWLWKONTQPEZKA-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB Cc1ccccc1N1COc2c(cc3c4c(c(=O)oc3c2C)CCC4)C1 2118316 QMTIAKDADXNXQZ-UHFFFAOYSA-N 347.414 4.255 0 40 EIAB biogenic CCOC(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1 3290370 JVANMGMRLAHEOD-UHFFFAOYSA-N 332.812 4.431 0 40 EIAB CC(=O)c1cccc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 3410664 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EIAB O=C(CCn1ccc2ccccc21)Nc1cccc(Br)c1 7914244 NRIWHAPKOJZGMD-UHFFFAOYSA-N 343.224 4.433 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 7985430 VWYBNSBMRHSYKM-UHFFFAOYSA-N 348.402 4.476 0 40 EIAB COc1ccc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1 8277157 DDXAXUOWKPSVGS-UHFFFAOYSA-N 325.339 4.024 0 40 EIAB Cc1cnc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)s1 8707992 FLZFTNDGNOQLNU-UHFFFAOYSA-N 348.431 4.351 0 40 EIAB O=C(CCc1ccc(Cl)cc1)OCc1cn2cc(Cl)ccc2n1 10712005 PCYIBKVTIUMPHL-UHFFFAOYSA-N 349.217 4.317 0 40 EIAB CN(C)C1(CNC(=O)Nc2cccc3ccccc23)CCCCC1 11004760 RDEUGJVQILOGMQ-UHFFFAOYSA-N 325.456 4.226 0 40 EIAB CC(C)c1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 12789225 CTKAOFOQQLLIQL-UHFFFAOYSA-N 347.418 4.027 0 40 EIAB CC(=O)Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1C 12794762 SSKZFAHXURFLPJ-UHFFFAOYSA-N 340.398 4.153 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(C)c1 12874363 RSDAPDMHECTPFE-FQEVSTJZSA-N 334.419 4.206 0 40 EIAB Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 12998760 BATPNLFFQRIYEU-UHFFFAOYSA-N 340.448 4.290 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)C[C@@H]2C)cc1 13321110 SXQWJZUKVIVPPR-AWEZNQCLSA-N 346.833 4.138 0 40 EIAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1c(=O)oc2ccccc21 14105300 MKHUEBLTRRLKJG-CYBMUJFWSA-N 338.407 4.092 0 40 EIAB O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccccc1 14361891 AWAKKUNJEDRERU-MRXNPFEDSA-N 330.225 4.426 0 40 EIAB CCCCSc1nc(=O)n(-c2ccc(OCC)cc2)c2c1CCC2 15840506 JSXHOBLXQHWHJA-UHFFFAOYSA-N 344.480 4.012 0 40 EIAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2cc(C)ccc2C)cc1 16655644 UNUMXHYLJUXLKU-HNNXBMFYSA-N 341.476 4.476 0 40 EIAB O=C(Nc1nncs1)c1ccccc1OCc1ccccc1Cl 21214056 UPOOJUKDDJVLLA-UHFFFAOYSA-N 345.811 4.023 0 40 EIAB Cc1cc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)on1 24878052 IKLQCUACWFIEKZ-LJQANCHMSA-N 332.359 4.249 0 40 EIAB Cc1ccccc1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24931302 XPWDXAWFTOHHMI-HXUWFJFHSA-N 345.446 4.047 0 40 EIAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc2ncsc2c1 24990101 GKJKSCPMBLFDNE-MNOVXSKESA-N 328.359 4.147 0 40 EIAB C[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCO2 28579836 ZMOAEYQIIOMYFA-CYBMUJFWSA-N 334.375 4.451 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(=O)c2ccccc2o1 32678634 NRQBWZHYCQEFPO-UHFFFAOYSA-N 347.823 4.170 0 40 EIAB Cc1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1Cl 32691445 GKMFGMVBHMFTIN-QGZVFWFLSA-N 345.826 4.036 0 40 EIAB Cc1nc2ccc(NC(=O)CCc3ccc(N(C)C)cc3)cc2s1 32747199 DRMBTIVNLVHUOM-UHFFFAOYSA-N 339.464 4.242 0 40 EIAB Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 32818800 PUBHGGXWPLSYAS-HXUWFJFHSA-N 345.446 4.047 0 40 EIAB COc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(OC)c1 32922943 XFKVUQCVTNOZQA-LMQXARLESA-N 343.467 4.144 0 40 EIAB COc1ccc(Cc2nnc(SCc3ccc(F)cc3)o2)cc1 33581032 OZYORTOXHMBDEX-UHFFFAOYSA-N 330.384 4.100 0 40 EIAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2Cl)cc1OC 36394082 SLPJJLPLMVICIN-LBPRGKRZSA-N 333.815 4.157 0 40 EIAB Cc1nc2ccc(NC(=O)[C@@H](C)n3cnc4ccccc43)cc2s1 40072790 SVVTZENICCYOCB-LLVKDONJSA-N 336.420 4.154 0 40 EIAB CCN(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 40526948 DAONAGFCIPSIBY-UHFFFAOYSA-N 337.423 4.089 0 40 EIAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 56540382 CCTBKWHXLRQBIF-SFHVURJKSA-N 326.371 4.397 0 40 EIAB CC(C)(C)c1ccc(C(=O)C(=O)N(Cc2cccs2)C2CC2)cc1 58135003 WAXNFBLGRDZAEM-UHFFFAOYSA-N 341.476 4.420 0 40 EIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C(C)(C)c1ccccc1 60106382 RZGIIQSEXMMFNY-UHFFFAOYSA-N 347.418 4.494 0 40 EIAB O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 61335977 YFZGLMAHALYLIE-MRXNPFEDSA-N 333.431 4.261 0 40 EIAB CCn1ccc2cc(NC(=O)c3c(C)nn(C(C)(C)C)c3C)ccc21 63485979 MGAWDQZFFPEMQQ-UHFFFAOYSA-N 338.455 4.482 0 40 EIAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccco1 65563678 NIXZZUXLBSICJW-PMACEKPBSA-N 346.430 4.316 0 40 EIAB CSc1ccc([C@H](C)NCc2ccccc2N2CCOCC2)cc1 66990189 KEEPAQGWGFEVIC-INIZCTEOSA-N 342.508 4.096 0 40 EIAB CSc1ccsc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 69585853 LBUMFYZCKYNBJH-UHFFFAOYSA-N 347.465 4.006 0 40 EIAB CCC[C@@H](C)N1Cc2cccc(NC(=O)Cc3csc(C)n3)c2C1 69736836 PIJQKSYQGLYXIN-CYBMUJFWSA-N 343.496 4.137 0 40 EIAB Fc1ccc(C2(c3nnc(-c4ccccc4F)o3)CCOCC2)cc1 71889779 ZLYSFMYOGCIVAB-UHFFFAOYSA-N 342.345 4.111 0 40 EIAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc2ccccc2c1 72230396 GFOBUJKDZPGNHP-HNNXBMFYSA-N 331.481 4.401 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c(C)n1 72270515 UCJNRHGOYPEAIU-INIZCTEOSA-N 349.434 4.246 0 40 EIAB CCOC1CCN(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1 72272871 IQTSNBYGEYSOBO-UHFFFAOYSA-N 340.851 4.160 0 40 EIAB OC1(CN(Cc2ccccc2)c2ncnc3sccc23)CCCC1 89832551 ZXXPCRDJUSRXEW-UHFFFAOYSA-N 339.464 4.003 0 40 EIAB COc1cc(CNc2cccc(C(=O)O)c2C)ccc1OC(C)C 95472051 RUZXDOSZXJLLSG-UHFFFAOYSA-N 329.396 4.101 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(F)c(OC)c(F)c1 96417978 BIUWLMGMIGGVFS-INIZCTEOSA-N 349.381 4.374 0 40 EIAB C[C@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)c1cccnc1)C1CC1 96444021 NPXWSDFLSQJOKD-QRWLVFNGSA-N 335.451 4.144 0 40 EIAB Cc1ncoc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 96446496 HSSHFDYENFVGRI-UHFFFAOYSA-N 349.106 4.017 0 40 EIAB Cc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccco4)C3=C(O)C2)cc1 102581941 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Clc1ccc(OCCSc2nnc3ccccn23)c(Cl)c1 3267479 NFBYLVQRYRXNCP-UHFFFAOYSA-N 340.235 4.207 0 40 EIAB Cc1ccc(NC(=O)CSc2ncnc3ccccc23)c(Cl)c1 3291721 NIVRTBDJSLVJIO-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB Cc1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1 4241111 NATXNOOLOQOADA-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 4813943 SBAGARNROXJDSI-FIXISWKDSA-N 327.852 4.017 0 40 EIAB O=C(CCn1cnc2ccccc21)Nc1cccc(C(F)(F)F)c1 5209855 QWVUVDXAIXZKLM-UHFFFAOYSA-N 333.313 4.084 0 40 EIAB COc1cccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 5262073 HTAOOTHCVROVOH-SNVBAGLBSA-N 339.222 4.441 0 40 EIAB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1[C@@H](O)CC(C)(C)C2 5323345 MDHWTKOAIQEJKN-LRDDRELGSA-N 339.435 4.185 0 40 EIAB C[C@@H](OC[C@@H](O)CN1CCCCCCC1)c1ccc(Cl)cc1 6939137 LOYOOYSZLJKMLM-QAPCUYQASA-N 325.880 4.045 0 40 EIAB O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 7093091 OKSHOUJNSYMMOZ-ZJNRKIDTSA-N 336.347 4.120 0 40 EIAB COc1ccc(Cl)cc1/C=C/C(=O)Nc1cc(C(=O)O)ccc1C 8187034 QIMRPCIMPWFZMV-VMPITWQZSA-N 345.782 4.007 0 40 EIAB CCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc21 10651370 DIWYXBVGJZMZRM-UHFFFAOYSA-N 344.212 4.071 0 40 EIAB COc1ccc(-c2c(C)c3ccc(OC(C)=O)c(C)c3oc2=O)cc1 11865125 RLUWQTABSYYIQR-UHFFFAOYSA-N 338.359 4.011 0 40 EIAB biogenic Cn1ccnc1[C@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 12529772 UNCWVEXQGXIDJR-GOSISDBHSA-N 345.874 4.250 0 40 EIAB O=c1[nH]c(CNc2ccc(Oc3ccccc3)cc2)nc2ccccc12 12554738 BISSNLGIIZOCLR-UHFFFAOYSA-N 343.386 4.328 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 12582668 VJHROJIUNHRNMD-GFCCVEGCSA-N 346.390 4.017 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(C)c1 12945008 MIKPWBMQFIRGDM-MRXNPFEDSA-N 325.408 4.114 0 40 EIAB CC(C)N(Cc1ccccc1)C[C@@H](O)COCc1ccccc1Cl 12973792 DZGLRRIOCGEZEE-LJQANCHMSA-N 347.886 4.128 0 40 EIAB CC(C)(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 13470703 MKSFPUCFYXNGDL-UHFFFAOYSA-N 340.467 4.236 0 40 EIAB Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1 13495202 PBMVFBOHKAQXLX-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB CCOc1ccccc1NC(=O)CN(C)Cc1ccc2ccccc2c1 15520158 FGNVAPMZWJXBHK-UHFFFAOYSA-N 348.446 4.309 0 40 EIAB COc1ccc2[nH]c(C)c(CCNCc3cn(C)c4ccccc34)c2c1 19798231 LTHBJHFXNJBMTQ-UHFFFAOYSA-N 347.462 4.309 0 40 EIAB CC(C)Cn1c(=N)n(CCCOc2ccc(F)cc2)c2ccccc21 20069502 WKTCASZKLBRGLN-UHFFFAOYSA-N 341.430 4.186 0 40 EIAB Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2cccs2)cc1 20799301 MHQPPUFJTWGADH-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB CC(C)n1nccc1NC(=O)COC(c1ccccc1)c1ccccc1 22289845 KXQFZXFDVLJKOR-UHFFFAOYSA-N 349.434 4.209 0 40 EIAB Cc1c(C(=O)Nc2nc(C(C)(C)C)cs2)cnn1-c1ccccc1 24706634 CFUNBQJGJBVFBR-UHFFFAOYSA-N 340.452 4.187 0 40 EIAB COCc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 25822040 YITAJJSOLHLBMA-UHFFFAOYSA-N 327.424 4.282 0 40 EIAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27661957 VYIYRELLMNMUOL-IBGZPJMESA-N 342.870 4.215 0 40 EIAB CC(=O)c1ccc(OCc2ccc(C(=O)N3CCCCCC3)o2)cc1 28235181 NUIHUZWHHSLUGQ-UHFFFAOYSA-N 341.407 4.077 0 40 EIAB N#CC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCCC1 30827835 NNVQLPWHPGZQRG-UHFFFAOYSA-N 325.799 4.323 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccn(-c2ccccc2)n1 33149219 MLKGPQBHRPGRRK-UHFFFAOYSA-N 349.434 4.431 0 40 EIAB CN(Cc1cccs1)c1nn2cc(-c3ccccc3)nc2s1 40058879 MQLXARYJUJKJDC-UHFFFAOYSA-N 326.450 4.156 0 40 EIAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1Cc1ccccc1 48276443 GLIWKLGNCXANBO-MRXNPFEDSA-N 328.481 4.422 0 40 EIAB O=C(COC1CCCCC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57131037 MRBDVMDGOHTACP-UHFFFAOYSA-N 346.858 4.055 0 40 EIAB C=Cc1ccc(COc2cc(C(=O)OC)nc3ccc(OC)cc23)cc1 65033250 WPRFAKVIAOSSCL-UHFFFAOYSA-N 349.386 4.252 0 40 EIAB Cc1nnc([C@@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)o1 66260963 XIAVIZHMBURYHR-SNVBAGLBSA-N 330.413 4.405 0 40 EIAB Cc1nnc(SCc2noc(-c3ccoc3)n2)n1C1CCCCC1 69559127 DEFRUICETQMKJP-UHFFFAOYSA-N 345.428 4.027 0 40 EIAB COCc1ccccc1NC(=O)NC1(c2nc(C)cs2)CCCC1 69968511 PHKWDETVBYPJAO-UHFFFAOYSA-N 345.468 4.189 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(CC3CCNCC3)cc2)c(Cl)c1 72328172 LPVKSKFBTCGEIC-UHFFFAOYSA-N 342.870 4.443 0 40 EIAB CN1CCC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 74921037 BLVSDNYHZDRVCM-UHFFFAOYSA-N 334.769 4.029 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C 84195447 LWDANIZZCLRXGS-RDJZCZTQSA-N 327.428 4.010 0 40 EIAB CC(C)n1ccc2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc21 95480591 XZJOGGZOVHDFMM-NRFANRHFSA-N 348.446 4.436 0 40 EIAB Cc1cc(NC(=O)c2ccccc2Cl)ccc1OC1CCOCC1 96414150 ABFJRKUKERNFPH-UHFFFAOYSA-N 345.826 4.459 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C\c1csc(C)n1 104786378 SBTAPCYDZSGPMJ-CLFYSBASSA-N 330.453 4.410 0 40 EIAB Cc1cnc([C@H](C)NC(=O)c2cc3c(C(C)C)nn(C)c3s2)s1 177863170 FHTCZWSEJYEVFW-JTQLQIEISA-N 348.497 4.014 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCCC1 225656217 IRUDISUSOLMUCT-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB O=C(Nc1ccccc1Cl)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679824 SVCACVNLXDYQND-ZDUSSCGKSA-N 344.798 4.090 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225714135 GVKPUIGGCZSTBW-CYBMUJFWSA-N 348.855 4.180 0 40 EIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 225886280 RCXUNRWYGHTOBR-LJQANCHMSA-N 330.428 4.167 0 40 EIAB Oc1nc2ccccc2n1CCCSc1c(F)cc(F)cc1F 515593081 NZRFRVXBPLKDQJ-UHFFFAOYSA-N 338.354 4.342 0 40 EIAB Cc1ccc(Nc2nnc(SCc3cncc(F)c3)s2)cc1 530368598 JZLYMHFJVROXSC-UHFFFAOYSA-N 332.429 4.417 0 40 EIAB CCc1cccnc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 582955275 KDTFGXQYWMNWET-HNNXBMFYSA-N 335.407 4.387 0 40 EIAB Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1 1659374885 BYSLNUOMOKYJPA-UHFFFAOYSA-N 345.851 4.280 0 40 EIAB O=C(O)c1ccccc1-c1cnc(CN2CCc3ccccc32)s1 1848357266 NXQZSYONCIMRKU-UHFFFAOYSA-N 336.416 4.071 0 40 EIAB CCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(CC)oc2c1 86754 YSYMSXMDMQGQNN-UHFFFAOYSA-N 338.359 4.463 0 40 EIAB CSc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 97868 QDKWIQBJFYHMJF-UHFFFAOYSA-N 329.450 4.016 0 40 EIAB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1OC 107946 CMIASGLTNALQGS-UHFFFAOYSA-N 343.276 4.114 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@H]2c1c(Cl)cccc1Cl 152923 PIUUUIBMRNBSSW-DOTOQJQBSA-N 347.201 4.226 0 40 EIAB COc1ccc2c(c1)c(C(=O)N1CCCC1)c(C)n2Cc1ccccc1 187762 FDTZABFJZZAYNL-UHFFFAOYSA-N 348.446 4.243 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 1972475 ZWWIODZAGIDEIZ-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CC(=O)Nc1ccc2cc(Br)ccc2c1Br 3135485 CBXWZLFQQWKMTJ-UHFFFAOYSA-N 343.018 4.323 0 40 EIAB Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C)c(C)c3)C2=O)c1 3647937 ZFYHEXJQGWGIOY-MRXNPFEDSA-N 326.421 4.250 0 40 EIAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 3881632 AOYBIWCQSGSYJF-UEDWAMCQSA-N 328.452 4.037 0 40 EIAB biogenic C[C@@H](OC(=O)c1cc2ccccc2s1)C(=O)N(C)c1ccccc1 5088077 NNYYXAHOLMFMTF-CYBMUJFWSA-N 339.416 4.110 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cccc(F)c1 5406314 NNUFOBAKEFRRMZ-MDZDMXLPSA-N 326.396 4.107 0 40 EIAB Cc1cnc(NC(=O)CSc2ccc3c4c(cccc24)CC3)s1 6084482 CPTJMVPGZDBSLD-UHFFFAOYSA-N 340.473 4.434 0 40 EIAB CC(C)[C@H](NC(=O)c1cncc(Br)c1)c1cccs1 7078172 BANLGTFPLYHMBG-ZDUSSCGKSA-N 339.258 4.033 0 40 EIAB Cc1nc2ccc(N[C@H](C)C(=O)N(C)Cc3ccccc3)cc2s1 7242053 GKAVQFHYGLKTHR-CYBMUJFWSA-N 339.464 4.064 0 40 EIAB O=C(Nc1ccccc1)c1ccc(OCc2cn3ccccc3n2)cc1 7318713 QKOFNCJJAFXTNB-UHFFFAOYSA-N 343.386 4.166 0 40 EIAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCCCCC1 7378233 DYTFTCLCNBRAEF-GOSISDBHSA-N 336.479 4.157 0 40 EIAB COc1cc(/C=C/c2nc3cc(C)ccc3s2)cc(OC)c1O 7716566 QBBVSSGVMCRKGB-FNORWQNLSA-N 327.405 4.498 0 40 EIAB CC(C)[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 8003638 KTEOBTMBQKEDNW-GOSISDBHSA-N 336.357 4.029 0 40 EIAB O=C(COc1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1 8115142 FVIAYDUSWATMOW-NRFANRHFSA-N 349.455 4.301 0 40 EIAB CCc1ccc2c(CC(=O)Nc3nc4c(s3)CCC4)coc2c1 8313202 HTHWNKNLCCBONT-UHFFFAOYSA-N 326.421 4.122 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc(C(=O)Nn2c(C)ccc2C)cc1 8475619 VBXSKWGFTFUKSR-UHFFFAOYSA-N 347.418 4.050 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Cl 8492269 NVJGXFZMQIYHMC-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccn1 9154471 TXHBYDFAAAMMRH-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB CCn1c(SCC(=O)c2cc(C)sc2C)nnc1-c1ccco1 9450854 XNYRDUOLRYLFII-UHFFFAOYSA-N 347.465 4.211 0 40 EIAB CSc1ccccc1NC(=O)Cc1cc(=O)oc2cc(C)ccc12 9704901 OUXOHMVDQIFYOL-UHFFFAOYSA-N 339.416 4.005 0 40 EIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Cl)cc2Cl)C1 10542854 OUGJIPRFLLEBAK-CHWSQXEVSA-N 343.298 4.091 0 40 EIAB O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2ccccc2)C1 11693771 QFOKGFAEZSAMQF-MRXNPFEDSA-N 336.218 4.207 0 40 EIAB C[C@@H](NC(=O)c1ccccc1[S@](C)=O)c1ccc2ccccc2c1 12752366 IHKDEQYLJHEGPM-JBEBIEQOSA-N 337.444 4.068 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 12831143 XKYLJQVOMZMWPX-UHFFFAOYSA-N 339.782 4.185 0 40 EIAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc2C1 13708980 HYEMXXAXZHDOOA-MRXNPFEDSA-N 331.415 4.192 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 15538944 SGAQSDUZTRPFNM-CDXDBMBRSA-N 337.419 4.081 0 40 EIAB O=c1nc(SCc2ccccc2)c2c(n1C1CCCC1)CCC2 15840364 DZPHRQDQYTXIFW-UHFFFAOYSA-N 326.465 4.139 0 40 EIAB CN(Cc1ccccc1)c1ncnc2c1cnn2-c1cccc(Cl)c1 16915376 UPHLJAAPOGFDMT-UHFFFAOYSA-N 349.825 4.105 0 40 EIAB Clc1cccc(-n2ncc3c(NCc4ccccc4)ncnc32)c1 17189439 ZWLBSRKCDBRYDY-UHFFFAOYSA-N 335.798 4.081 0 40 EIAB CN(Cc1ccccc1N1CCCCC1)C(=O)Nc1ccc(F)cc1 17743717 HYPMTYCHRGOAIK-UHFFFAOYSA-N 341.430 4.480 0 40 EIAB CCCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC 19736217 JFMLOMIGFNEXEM-UHFFFAOYSA-N 342.439 4.489 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20038994 KYWAFFBLSKBQEA-MRXNPFEDSA-N 338.451 4.179 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)cc1 20138252 LBQPISALVNYCDX-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 20141818 ZCIKWCMTUJAEAE-UHFFFAOYSA-N 333.771 4.078 0 40 EIAB O=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 22148454 FTEMDLUDGXXSNL-UHFFFAOYSA-N 325.195 4.146 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1C 22510385 BXKVWPBSYDVPSG-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CCCc1sc(C(=O)Nc2ccccc2-n2cncn2)cc1CC 25003184 JLLPRJKURQRAGO-UHFFFAOYSA-N 340.452 4.096 0 40 EIAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1C 27740879 ARVADKWLMKCKRT-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB Cc1ccn(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)n1 28219771 OZTWWCVOVCQIPD-UHFFFAOYSA-N 326.787 4.478 0 40 EIAB O=C(NC1CC1)c1ccc(COc2ccc(Cl)cc2Cl)o1 28226272 KKNXZHHZTRBETB-UHFFFAOYSA-N 326.179 4.058 0 40 EIAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccccc2s1 28248293 BOISCZATHVRPPQ-UHFFFAOYSA-N 338.841 4.059 0 40 EIAB Cc1[nH]c(SCc2nc(C(C)C)no2)nc1Cc1ccccc1 29137037 LKVLQHGJPUSMFB-UHFFFAOYSA-N 328.441 4.108 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1 29433196 QWQYTIPCSSXCPF-UHFFFAOYSA-N 342.420 4.068 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1csc(Cc2ccccc2)n1 31547925 LRQPDBOJYXYRTN-UHFFFAOYSA-N 330.359 4.264 0 40 EIAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(F)cc1F 32863066 UQLJFKSVNFSFBU-AOOOYVTPSA-N 340.320 4.364 0 40 EIAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 37497899 KKPRQOMFYDTMCX-LBPRGKRZSA-N 335.245 4.218 0 40 EIAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCCCC1 40165635 HENFQDUWWKOJMB-UHFFFAOYSA-N 332.831 4.364 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1Cl 41095273 UITJMFZGQSNVTB-JOYOIKCWSA-N 336.284 4.159 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)CCCc2cccs2)cc1 48286158 JTCXSVHQFCLMND-UHFFFAOYSA-N 344.524 4.229 0 40 EIAB Clc1cccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 49600881 BUWFDXSKUQZGKF-UHFFFAOYSA-N 348.837 4.497 0 40 EIAB CCOC(=O)N[C@H](SC1CCCCC1)C(Cl)(Cl)Cl 57291951 AWOLRTKJORFZGB-SECBINFHSA-N 334.696 4.495 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl 58159457 VSFPVGRGURIBMS-AWEZNQCLSA-N 326.783 4.075 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1 60165808 GCXGUSLSRUVULD-LBPRGKRZSA-N 342.464 4.108 0 40 EIAB Cc1cc(C)n(C[C@H](C)NCc2cnc(-c3ccccc3C)s2)n1 65535518 KKVGIMFJWUGPEB-HNNXBMFYSA-N 340.496 4.110 0 40 EIAB CCc1nc(CCNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)sc1C 69743006 DGVJHYIWVKUJHO-NWDGAFQWSA-N 348.434 4.041 0 40 EIAB CC1(C)CCCN(C(=O)c2cc(Br)ccc2Cl)C1 70261188 VZCVYBCNOWHBII-UHFFFAOYSA-N 330.653 4.365 0 40 EIAB C[C@@H](NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccccc1 72328867 XJBPWHKQKZGNRB-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB CS[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 76069470 ISULTEVNCFGRGX-CABCVRRESA-N 331.441 4.056 0 40 EIAB COc1ccc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)cn1 77968003 IFWQTXUHUYKVOS-GHMZBOCLSA-N 345.761 4.204 0 40 EIAB CCc1ccsc1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 79361064 AIKDNYZUQKDHSE-NRFANRHFSA-N 341.885 4.095 0 40 EIAB COc1ccc(-c2nnc(CN3CCC[C@@H]3c3ccccc3)o2)cc1 83952370 GLEQIANVIWZKDF-GOSISDBHSA-N 335.407 4.082 0 40 EIAB O=C(Nc1cccc2cccnc12)N[C@H]1CCCC[C@H]1C(F)(F)F 89808053 RESLZPDOQIYZRE-OLZOCXBDSA-N 337.345 4.477 0 40 EIAB O=C(c1cc2c(nc3sccn32)s1)N1CCC[C@@H]1C1CCCC1 89885400 ACGPFSDATBJUMW-GFCCVEGCSA-N 345.493 4.405 0 40 EIAB CCOC(=O)c1sc(N[C@@H](C)c2ccc(F)cc2F)nc1C 95427474 GBLNVZIRUYQXQN-QMMMGPOBSA-N 326.368 4.080 0 40 EIAB CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(OC)ccc1Br 95459134 PSDYGMZEQDUBIR-MNOVXSKESA-N 341.249 4.253 0 40 EIAB CC(C)COC(=O)Nc1cccc(NCc2nccn2C(C)C)c1 95965277 NCSYHHREWUENIF-UHFFFAOYSA-N 330.432 4.281 0 40 EIAB Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc(O)cc2)s1 96402794 LGTBRJKPGGVDFV-YESZJQIVSA-N 327.449 4.229 0 40 EIAB CCN(C)c1ccccc1NC(=O)N(CC)[C@@H](C)c1cccnc1 96406985 GEDAGRTVVUOBNC-HNNXBMFYSA-N 326.444 4.153 0 40 EIAB O=C(c1cncc(F)c1)N(c1cccc2cccnc12)C1CCCC1 97014624 GOCHTFDQDFWBQF-UHFFFAOYSA-N 335.382 4.358 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)Cc3ccccc3F)C2)cc1 206883663 IRKBECOCQXASKK-GOSISDBHSA-N 341.426 4.173 0 40 EIAB O=C(NCc1cccs1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211080937 OPPJZONIIGKYDA-OAHLLOKOSA-N 332.444 4.367 0 40 EIAB Cc1ccc(COc2ccc(/C=C/c3nnc(N)o3)cc2Cl)cc1 216893603 IMQAIFKDMPVEDE-VQHVLOKHSA-N 341.798 4.363 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 219317078 AEBPBETUQQJWMG-PKOBYXMFSA-N 341.451 4.045 0 40 EIAB CCC1(CC)C[C@H](NC(=O)COc2ccccc2)c2ccccc2O1 222760560 GWPPZMMWLDUHPT-SFHVURJKSA-N 339.435 4.264 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1F 222861547 LKNXZHDMEZSGNK-SFHVURJKSA-N 347.455 4.033 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224392432 SQUFBYPIQGESQA-UHFFFAOYSA-N 339.479 4.339 0 40 EIAB Nc1cc(C(=O)NC2CC2)ccc1Nc1ccc(Cl)cc1Cl 225427852 WQALCGUFBSQBJP-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2)c1C 225458903 DJNLUZCQAQJZHG-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCCC)c(C)c1 225897906 YXRDIBFMYKNMAU-IBGZPJMESA-N 336.476 4.493 0 40 EIAB O=c1nc(-c2ccc(OCc3ccccc3)cc2)[nH]c2ccccc12 575410837 FYQOFOGFXHYTHX-UHFFFAOYSA-N 328.371 4.169 0 40 EIAB O=C(CCc1ccccc1C(F)(F)F)N[C@H]1CCCC(F)(F)C1 631922361 ULTKJXORINAQGC-LBPRGKRZSA-N 335.316 4.332 0 40 EIAB CO[C@@H](COc1ccc(Cl)cc1-c1nc(C)no1)C1CCCC1 664010526 NNNNQECKXSMWJN-INIZCTEOSA-N 336.819 4.282 0 40 EIAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 82659 KMTUAPGWCIUDDI-AWEZNQCLSA-N 336.387 4.396 0 40 EIAB biogenic O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(F)cc1 182987 DHIZXXJDENMJCB-UHFFFAOYSA-N 331.350 4.393 0 40 EIAB COc1ccc(CCCC(=O)Nc2cccc(Br)c2)cc1 366303 BSDJFAZXWSSMRK-UHFFFAOYSA-N 348.240 4.419 0 40 EIAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CCCC4)c23)CO1 520675 HCVYBKYFBJZVDK-QGZVFWFLSA-N 349.525 4.255 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2s1 1392859 CMJBBIDTNNTADS-UHFFFAOYSA-N 329.352 4.079 0 40 EIAB c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 1412092 DZHJHVJQIJAISV-UHFFFAOYSA-N 329.359 4.474 0 40 EIAB Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1C 2117769 AQDHXBKBRYLSIY-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic CCCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 2411105 OVOCKIJJVRGRSV-UHFFFAOYSA-N 334.379 4.230 0 40 EIAB CCN(CC)C(=S)Sc1ncc(C(F)(F)F)cc1Cl 2543501 KCIMEAFTGYHVDA-UHFFFAOYSA-N 328.812 4.473 0 40 EIAB Cc1ccc(Cn2c(-c3ccc(=O)[nH]c3)nc3cc(C)c(C)cc32)cc1 3051065 JYVQVBVNZSQPSZ-UHFFFAOYSA-N 343.430 4.365 0 40 EIAB CC(=O)[C@H](Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 3846269 MLDOKSZBQXTHTP-MVJPYGJCSA-N 330.468 4.438 0 40 EIAB biogenic CCn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21 4060552 RTQVJTBGIBBYRE-UHFFFAOYSA-N 342.439 4.209 0 40 EIAB CCC[C@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4651016 GWALBXYNXWJIGA-DRZUXFPHSA-N 347.524 4.350 0 40 EIAB Clc1ccc(CSc2nnc3ccc(-c4ccco4)nn23)cc1 5168212 RDJKUKAZSNWZCM-UHFFFAOYSA-N 342.811 4.330 0 40 EIAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 6605951 OTOPUTMRKJRVLG-UHFFFAOYSA-N 341.407 4.039 0 40 EIAB CCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Cl)cc1 6638549 VFOHLHGHGXLVPE-UHFFFAOYSA-N 330.859 4.281 0 40 EIAB CCOc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OCC)c1 7310674 OUJBQWILUUUEFA-ACCUITESSA-N 341.407 4.145 0 40 EIAB COc1ccc(/C=C/C(=O)N[C@H]2CCSc3ccccc32)cc1 7779164 PVQJGDPXLGSSPE-YRYLYKBFSA-N 325.433 4.062 0 40 EIAB O=C(CSc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 7781654 LHGCEPMPNUURPX-UHFFFAOYSA-N 337.366 4.387 0 40 EIAB O=C(NCCc1cccc(F)c1)C1c2ccccc2Oc2ccccc21 7925166 XTLULBRHTJTAKS-UHFFFAOYSA-N 347.389 4.422 0 40 EIAB Cc1ccc(-n2c(C)nnc2SCc2cn3cc(C)ccc3n2)cc1 8012326 GOEOGTGOKSLCHA-UHFFFAOYSA-N 349.463 4.133 0 40 EIAB Cc1c(C(=O)Nc2ccccn2)sc2nc(-c3ccccc3)cn12 8048358 HPSCEVXMSYHUMQ-UHFFFAOYSA-N 334.404 4.019 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)c1 8355140 DCLHYNGXNOKAAM-RUNBWSAHSA-N 345.826 4.248 0 40 EIAB COc1ccc(C)cc1NC(=O)Cc1csc(-c2cccs2)n1 8402185 LUWAJENKNRSKFD-UHFFFAOYSA-N 344.461 4.370 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 8470773 XQGXWXOWSBCTHU-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1OC 8705485 VEIOXRCYGDHZDD-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB O[C@H](CSc1nnc(NC2CCCCC2)s1)c1ccccc1 10308018 PZQHBCKQUNNGLH-CQSZACIVSA-N 335.498 4.108 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 11170615 BLTBHXMVDLDPTG-CQSZACIVSA-N 347.842 4.303 0 40 EIAB CC(=O)N[C@@H](CC(=O)Oc1ccc(Cl)cc1C)c1ccc(C)cc1 11464041 POXFSBXWEYQYSW-KRWDZBQOSA-N 345.826 4.130 0 40 EIAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 12539052 WVHWTUJGRWRZPO-LBPRGKRZSA-N 327.815 4.026 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(Br)c1 12681102 WLMWJQMWVWRNLS-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1F 12864629 FRGFPAUSDMLKAN-UHFFFAOYSA-N 347.187 4.251 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 12984225 IJFWCVODJHHGNJ-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CCOc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13207197 ZSYIRKHONVNTCJ-UHFFFAOYSA-N 341.411 4.144 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(C(C)=O)cc2)cc1Cl 13935146 OZMVHEKNMHBEGH-UHFFFAOYSA-N 334.828 4.360 0 40 EIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1F 14734121 SWKWWFKUXYCVDG-UHFFFAOYSA-N 339.366 4.468 0 40 EIAB Clc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 16789757 MWIPXQGTIJHDON-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cccc(Cl)c1 17149944 XREAWAYNPRMRPO-UHFFFAOYSA-N 348.736 4.203 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(OC)cc1 20108461 VRROQBGHKDZNDD-GUYCJALGSA-N 347.842 4.383 0 40 EIAB O=C(O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1O 20138987 JMELNZGAPHTKNW-UHFFFAOYSA-N 341.750 4.149 0 40 EIAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20367345 VCEGHRDMUJNBNH-AVRDEDQJSA-N 349.430 4.198 0 40 EIAB Cc1cc(C(=O)NCC2(c3ccccc3)CCCC2)c2c(C)noc2n1 22839232 PGFGXGSFBGKHJQ-UHFFFAOYSA-N 349.434 4.081 0 40 EIAB Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1C 24392116 DGANHTUXOUIRTK-UHFFFAOYSA-N 340.467 4.467 0 40 EIAB Cc1ccccc1-n1ccnc1SCC(=O)c1cc(F)ccc1F 26047077 RFVHHAKVMXXBBR-UHFFFAOYSA-N 344.386 4.434 0 40 EIAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1Cl 32930615 OVIKSLANPKMYHR-UHFFFAOYSA-N 343.732 4.211 0 40 EIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1Cl 33632038 JAVOKYVQMZFSBM-CQSZACIVSA-N 334.828 4.108 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 40071280 ZVUILHDCYIJURD-VHRBIJSZSA-N 332.341 4.307 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C 43357373 XZBUKWVAOKCDEW-AWEZNQCLSA-N 337.876 4.134 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 44900554 HTYYEKRCDPKUDT-QGZVFWFLSA-N 347.842 4.213 0 40 EIAB COC(=O)Nc1cccc(NC(=O)N2CCc3sccc3[C@@H]2C)c1 47711646 MELOKDQHGZWIMB-NSHDSACASA-N 345.424 4.078 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 53985505 HWLMSTYKDFSDFJ-GFCCVEGCSA-N 337.379 4.274 0 40 EIAB CN(C)C(=O)Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 56325156 UGSXXBMRURSHPR-UHFFFAOYSA-N 347.418 4.115 0 40 EIAB c1ccc(COc2ccc(CN[C@H]3CCOc4ccccc43)cc2)nc1 63508074 OEEYIOAODUNJEF-NRFANRHFSA-N 346.430 4.274 0 40 EIAB CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1cc2ccccc2[nH]c1=O 71842679 MKGFNURDRYGZHT-FQEVSTJZSA-N 348.446 4.070 0 40 EIAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccnc1Cl 71973638 OCIZYSQGQMHVPL-UHFFFAOYSA-N 328.796 4.412 0 40 EIAB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 72302485 QKVDNDQCXUJFCD-JKSUJKDBSA-N 346.272 4.320 0 40 EIAB Cc1cc(NCc2ncc(-c3cccs3)o2)ccc1C(=O)N(C)C 72912589 NZEMUGJQIZMRHB-UHFFFAOYSA-N 341.436 4.025 0 40 EIAB CCN(CC)[C@@H](C(=O)Nc1cccc2cccnc12)c1ccccc1 75108847 XEBJYUPNIQNLSF-HXUWFJFHSA-N 333.435 4.256 0 40 EIAB Cc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)c(C)c1 85397372 CWVARYGTWIFPOA-UHFFFAOYSA-N 346.452 4.039 0 40 EIAB C[C@H](NC(=O)N(C)Cc1ccncc1)c1ccc(-c2cccnc2)cc1 89904932 JBXUPOFWUYZNCE-INIZCTEOSA-N 346.434 4.046 0 40 EIAB Cc1cc(CN(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)on1 95981790 MJURWXUFUGRPGR-UHFFFAOYSA-N 346.818 4.097 0 40 EIAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(O)c2)cc1OCC 98066557 CLXBXFBPKISIKG-UHFFFAOYSA-N 349.814 4.485 0 40 EIAB O=C(Nc1cccc(O)c1)c1ccc(COc2ccc(Cl)cc2)o1 141425346 QCOANYFVZCYBBY-UHFFFAOYSA-N 343.766 4.470 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)Nc1ccccc1F 206949393 BGAPBTDGDMGWJZ-UHFFFAOYSA-N 327.384 4.271 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccccc1OC 222544182 CCYWQZRRMDVONE-NVXWUHKLSA-N 327.424 4.038 0 40 EIAB Cc1cccc(CCCNC(=O)CSCc2cccc(C)c2)c1 222742036 JDPJQDWUZZPVTK-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cccc3c2CCCC3)c1 222762490 RPTFUSICPHRXHN-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB CCc1ccc(CC(=O)NCCOc2cccc3ccccc23)cc1 223574595 VJLTVXMBXQPVGL-UHFFFAOYSA-N 333.431 4.140 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Oc1cc(C)cc(C)c1C)C(=O)O 225121108 RAUQIHGEBMMOOO-SFHVURJKSA-N 348.826 4.349 0 40 EIAB COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 225934675 WGLNEKOEQRYBFL-UHFFFAOYSA-N 332.403 4.035 0 40 EIAB CCN(C[C@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 245318981 YOJGDBUKZJWVEZ-WQZMEWCLSA-N 337.548 4.233 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N(Cc1ccncc1)C1CCCCC1 247960161 XDTHUZVHHOOHLQ-YZGWKJHDSA-N 336.479 4.345 0 40 EIAB CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(C(C)C)C3)n2)s1 257257352 KPDZIAUZSGOKEZ-OAHLLOKOSA-N 344.528 4.386 0 40 EIAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccsc1)c1cccs1 390826275 GVFHNSUGXUPQFV-KRWDZBQOSA-N 346.477 4.253 0 40 EIAB Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCc3c(C)cccc32)cc1 607823944 LTPKNBRPJXJTRW-SFHVURJKSA-N 332.403 4.376 0 40 EIAB O=C(CCSc1ccccc1)NCC(c1ccco1)c1ccco1 675007880 YRMDYZXHDGZIHH-UHFFFAOYSA-N 341.432 4.303 0 40 EIAB CC(C)(NC(=O)c1ccc(F)cc1Cl)c1cc(C(F)F)on1 1615003143 GDRZSNXVTMHRQG-UHFFFAOYSA-N 332.709 4.070 0 40 EIAB O=C(Cn1cnc2ccccc21)N[C@@H](CC1CCCC1)c1ccccc1 1623575485 ACFPIQGOGCRFRL-FQEVSTJZSA-N 347.462 4.474 0 40 EIAB Cc1ccccc1C(F)(F)C(=O)N1CCC(c2ccc(F)cn2)CC1 1641550150 VLHSUUMQFKKQEC-UHFFFAOYSA-N 348.368 4.027 0 40 EIAB CC1(c2ncn3ccsc23)CCN(C(=O)CC2CCCCC2)CC1 1848356458 MXDSWHDXGYKNAZ-UHFFFAOYSA-N 345.512 4.246 0 40 EIAB COC(=O)c1cccc2cccc(C(=O)Nc3ccc(C)cc3C)c12 390599 KSQZXLZLXSKWBI-UHFFFAOYSA-N 333.387 4.496 0 40 EIAB CC[C@H](C)c1ccc(O)c(NC(=O)c2cc3ccccc3oc2=O)c1 485773 HEVPSOHNQTUAMS-LBPRGKRZSA-N 337.375 4.264 0 40 EIAB biogenic Cn1c(-c2ccc(-c3nc4cnccc4n3C)cc2)nc2ccccc21 547343 TYYXSGCTVLLYKK-UHFFFAOYSA-N 339.402 4.189 0 40 EIAB CC(C)CC[C@H](CCNC1CCN(C)CC1)c1ccc2c(c1)OCO2 2208784 PGDITDMWDRQRTE-QGZVFWFLSA-N 346.515 4.009 0 40 EIAB Cc1ccc(C)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12 2713969 QJGLAZRORRRNIG-UHFFFAOYSA-N 325.437 4.231 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)s1 3315905 IXDLGEFBTGUAPA-UHFFFAOYSA-N 347.823 4.242 0 40 EIAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)c1ccc(C(C)(C)C)cc1 3520956 OZNLWGDVCCWQOD-LBPRGKRZSA-N 345.826 4.461 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)c1ccc(F)cc1 4314240 CCPSHIWDQDXCPC-JTQLQIEISA-N 348.834 4.305 0 40 EIAB Fc1ccccc1C1=Nn2c(nnc2-c2ccccc2Cl)SC1 6227293 VTXRSYZYSXLRPI-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB O=C1c2ccccc2N[C@@H](c2cc(Br)cs2)N1C1CC1 7886109 GCZZFKTUJVYORR-CQSZACIVSA-N 349.253 4.240 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8499325 VSNLRYOFENMGLU-ZDUSSCGKSA-N 333.815 4.371 0 40 EIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cccc(C)c2)c1 9141940 IIRIIFFHDQLUIL-UHFFFAOYSA-N 346.814 4.014 0 40 EIAB CSc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10338199 PYSNUWANCNJCIR-UHFFFAOYSA-N 326.465 4.257 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2ccccc12 10542166 MOHXBOLXWKOQNH-UHFFFAOYSA-N 332.403 4.145 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cnc3ccccc3c2)c1 12590427 YPDMSMBATYKVGU-UHFFFAOYSA-N 347.418 4.472 0 40 EIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1 12755483 QUZYEVKCVHSBIM-GOSISDBHSA-N 335.407 4.082 0 40 EIAB Cc1nc2cc(NC(=O)Cc3ccc(Br)cc3)ccc2o1 12926210 VHBOWOAASUGKKI-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(C2CCCCC2)cc1 13019669 IJXMPFFWTSBAKC-UHFFFAOYSA-N 347.422 4.167 0 40 EIAB Cc1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13680872 GQCDVMQHPDGKED-UHFFFAOYSA-N 330.236 4.244 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1Cl 14125215 DBQCPIHRTPVFPN-CJNGLKHVSA-N 334.847 4.475 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2cccnc12 14167142 FJKXDIMZGYSDIA-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14399679 SOLQNLXUFMEFSU-CQSZACIVSA-N 327.424 4.399 0 40 EIAB Cc1sc2c([C@H]3CCCNC3)nc(Nc3cccc(F)c3)n2c1C 19561745 BBQWXQGGRKDBTF-ZDUSSCGKSA-N 344.459 4.362 0 40 EIAB NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 20154502 CSMLSNRFUGQJAG-UHFFFAOYSA-N 338.219 4.457 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(F)cc1 20485399 NNMXPUDTRKOXQZ-CRAIPNDOSA-N 329.415 4.477 0 40 EIAB CC(C)OC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC=C2)c1 21797825 NGSVCFSZCBWOQR-UHFFFAOYSA-N 349.386 4.180 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC[C@H]1c1cccs1 22131743 MYQWQFNYMXUGPJ-VIFPVBQESA-N 326.215 4.081 0 40 EIAB O=[N+]([O-])c1ccc(NCCSCc2ccccc2)c2ccncc12 22811041 RVVFADBUILHAKF-UHFFFAOYSA-N 339.420 4.488 0 40 EIAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)n[nH]2)s1 23109906 ZRPQJQDLHDGPSC-NSHDSACASA-N 329.400 4.077 0 40 EIAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(F)c1 25213968 CVGHJTKDZQMWIK-JTQLQIEISA-N 342.292 4.163 0 40 EIAB Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 26781121 OBRMJGDRGTWSPH-HKUYNNGSSA-N 341.495 4.383 0 40 EIAB CCCCC(=O)Nc1nc(C)c(-c2nc(-c3cccs3)no2)s1 32094772 HCVZMEIVCUCTEJ-UHFFFAOYSA-N 348.453 4.359 0 40 EIAB Cc1cccc(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 32768056 WYLOBQLAAGMMSL-UHFFFAOYSA-N 342.782 4.237 0 40 EIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)OCC(C)C 32923911 KFKHOIHLFRYTER-LBPRGKRZSA-N 347.377 4.494 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCc3csc(C)n3)ccc2c1 32937759 OMWBQCNGXQXYPJ-LBPRGKRZSA-N 340.448 4.033 0 40 EIAB COc1cc(OC)c(N[C@H](C)c2nc(C(C)(C)C)no2)cc1Cl 40086343 WWHHHSNXNIPVJD-SECBINFHSA-N 339.823 4.211 0 40 EIAB O=C(NCCOc1cccc(Cl)c1)c1ccccc1C(F)(F)F 40108399 UVGWINOKQVPXTB-UHFFFAOYSA-N 343.732 4.168 0 40 EIAB Cn1cc(CCCN2CCc3sccc3[C@@H]2c2cccs2)cn1 40151483 VZJKLSMYFVYJSU-GOSISDBHSA-N 343.521 4.123 0 40 EIAB COc1ccc(CCC(=O)N(C)Cc2ccc(SC)cc2)cc1 40159565 IBCGLFCDRPNPLB-UHFFFAOYSA-N 329.465 4.008 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)NC2CCCCCC2)c1Cl 41095383 FKAIQTTTYQWOKE-UHFFFAOYSA-N 336.284 4.303 0 40 EIAB Cc1cc(/C=C/C(=O)NC[C@@H]2CCCOC2)c(C)n1C1CCCCC1 55922539 DAASZFLZINHEFX-ZGKFYVQTSA-N 344.499 4.166 0 40 EIAB O=C(Cc1cccs1)N[C@H](c1cccnc1)c1cc2ccccc2o1 69697765 CTTPYNFSXJTUKB-HXUWFJFHSA-N 348.427 4.338 0 40 EIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72215138 XZRSLGYVXSYSAS-HOCLYGCPSA-N 333.476 4.436 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C3CCCC3)n[nH]2)s1 84205718 NTGGBBSJBKFNBK-MRXNPFEDSA-N 329.469 4.241 0 40 EIAB Cc1ccc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)s1 88233104 SFJNNRPKECAPMY-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB C[C@@H](NC(=O)N(C)C[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl 107724937 LNQADWKVRANEBI-NEPJUHHUSA-N 345.270 4.122 0 40 EIAB CN(OCc1ccccc1)C(=O)c1ncoc1-c1ccccc1Cl 156155484 DLQIBJQBECKVTE-UHFFFAOYSA-N 342.782 4.199 0 40 EIAB O=C(NC[C@@H]1Cc2ccccc21)c1ncoc1-c1ccccc1Cl 173141847 RLGSOBYHRVJRBO-ZDUSSCGKSA-N 338.794 4.065 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)c3cccs3)CCCC2)s1 225680435 BCDFHYWXDUWIDM-LBPRGKRZSA-N 335.494 4.105 0 40 EIAB COc1ccc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 225898962 ZVLDGXOYODTIRE-UHFFFAOYSA-N 342.782 4.280 0 40 EIAB CC(C)(Cc1ccccc1)C(=O)Nc1ccc(OC2CSC2)cc1 225942551 VLKUAWZTQVGYQZ-UHFFFAOYSA-N 341.476 4.388 0 40 EIAB c1csc(CN2C[C@@H]3C[C@@H](c4cccs4)N4CCC[C@]34C2)c1 253588855 VZCGSGGZCDERBK-ZVZYQTTQSA-N 330.522 4.221 0 40 EIAB CCn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2cc(C)ccc21 408713130 LDSQJTNCAXZLEJ-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB Cc1cc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cs1 1533952151 RJKYCKRKNBKJQU-UHFFFAOYSA-N 336.416 4.306 0 40 EIAB CC(C)(CNC(=O)c1ccccc1C(F)(F)F)c1ccsc1 1565519602 YDBIEIMKNPBIJX-UHFFFAOYSA-N 327.371 4.475 0 40 EIAB CCCc1cc(C(=O)Nc2ccc3nc(O)n(C)c3c2)ccc1Cl 1625855678 PUOKSZQGRIFIMR-UHFFFAOYSA-N 343.814 4.137 0 40 EIAB COc1ccc(-c2cs/c(=N\c3cc(C(=O)O)ccc3C)o2)cc1 34775 IKCVINPGXYBDAP-HNENSFHCSA-N 341.388 4.256 0 40 EIAB CC(C)[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 86844 MOWKPRHIVJNEAX-OLZOCXBDSA-N 329.223 4.459 0 40 EIAB CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@H]2c1ccc(Cl)cc1Cl 152917 SZTXBSVQOKSIKW-DOTOQJQBSA-N 347.201 4.226 0 40 EIAB CC(C)C(=O)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 372432 SVGDURXFSSYDHC-NSHDSACASA-N 344.069 4.220 0 40 EIAB COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCCC2 483486 HLGHLJVEROODMP-UHFFFAOYSA-N 333.409 4.039 0 40 EIAB CCOc1cccc(-c2nn3c(C4CCCCC4)nnc3s2)c1 526239 MJSFOIMYTAFOSO-UHFFFAOYSA-N 328.441 4.299 0 40 EIAB O=C(O)c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 535962 JCMNSAAYXTXFKN-UHFFFAOYSA-N 332.355 4.122 0 40 EIAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2 974935 FSIXZPXLTWNCOO-OUCADQQQSA-N 347.480 4.178 0 40 EIAB COc1cc2c(cc1OC)C(c1c(Cl)cccc1Cl)=NCC2 1578136 NPTNHSUUIDPVBQ-UHFFFAOYSA-N 336.218 4.404 0 40 EIAB O=c1c2[nH]c3cccc(Cl)c3c2ncn1Cc1ccccc1Cl 2241993 CWPVDCUPWMVYBD-UHFFFAOYSA-N 344.201 4.233 0 40 EIAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(F)ccc1F 3611304 MORSERBNNSNCJT-UHFFFAOYSA-N 327.330 4.381 0 40 EIAB CC[C@@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 4404530 SPEXSRJGEOVWTM-ZCNNSNEGSA-N 327.468 4.154 0 40 EIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc(F)c1 4406641 WUWDTWZHIFIFAM-UHFFFAOYSA-N 335.791 4.086 0 40 EIAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)c1ccc(O)cc1 4691587 JFPDDPAYTPWMKJ-UHFFFAOYSA-N 327.767 4.486 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)NC2CCCC2)c2c(C)c(C)sc2n1 5428976 VAPPUNAQWREURP-NSHDSACASA-N 349.525 4.156 0 40 EIAB CCCn1c(NC(=O)Cc2ccccc2Cl)nc2ccccc21 6153865 KVFNOPNXVZCHLQ-UHFFFAOYSA-N 327.815 4.281 0 40 EIAB CCCCn1nc(C(=O)Nc2ccccc2CC)c2ccccc2c1=O 6430026 GQSRXUHJFPHHPW-UHFFFAOYSA-N 349.434 4.011 0 40 EIAB C[C@H]1C[C@H](NC(=S)NC(=O)c2ccccc2Cl)CC(C)(C)C1 6481465 IBIVLKJURKYXDH-RYUDHWBXSA-N 338.904 4.159 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)NCCCSc2ccccc2)cc1 6560965 ZLMHVOUYKWLYJI-INIZCTEOSA-N 342.508 4.348 0 40 EIAB O[C@](CCN1CCCC1)(Cc1ccccc1)c1cccc(Cl)c1 6580877 YHSIXPJKZVWQQS-HXUWFJFHSA-N 329.871 4.256 0 40 EIAB Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1OCCC(C)C 6809370 WTIICHUJENEIEI-UHFFFAOYSA-N 337.419 4.149 0 40 EIAB CCCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1 6809935 SNERKNQFHWYSKP-UHFFFAOYSA-N 347.465 4.276 0 40 EIAB aggregator Cc1cccc(OCCC(=O)Nc2ccc(C)cc2Br)c1 6867647 QKFUSVBQCRTVLV-UHFFFAOYSA-N 348.240 4.474 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 7405106 KUANQWUJZPIIET-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB Cc1sc2ncnc(Nc3ccc4c(c3)OCCCO4)c2c1C 8054283 WCZQNWDDSGNCGV-UHFFFAOYSA-N 327.409 4.213 0 40 EIAB Cc1ccccc1CNC(=S)Nc1cccc(Br)c1 8106443 FVHYNCJWUPORJU-UHFFFAOYSA-N 335.270 4.244 0 40 EIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 9250264 JILBXEQMSFKOHX-UHFFFAOYSA-N 349.478 4.360 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1OC(F)F 10115046 WDDXPYWOQXFQOB-UHFFFAOYSA-N 330.334 4.008 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 10329707 VJYNUBHXYZKNOT-IBGZPJMESA-N 342.458 4.156 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2)on1 11915842 UQUDAIVOXLYLBI-UHFFFAOYSA-N 339.351 4.343 0 40 EIAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1[nH]nc2c1CCCCC2 12147287 QOCFOAKMZSHYTO-UHFFFAOYSA-N 348.406 4.118 0 40 EIAB Cc1ccsc1-c1nn2c(-c3cccc(F)c3F)nnc2s1 12390434 DOKUSHOORPRRCC-UHFFFAOYSA-N 334.376 4.168 0 40 EIAB CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2o1 12757027 YMGVHYAOKJWWPJ-UHFFFAOYSA-N 334.297 4.052 0 40 EIAB S=c1scnn1CN1CCc2sccc2[C@H]1c1ccccc1 12863760 CIJRNEOMLAVZDP-OAHLLOKOSA-N 345.518 4.341 0 40 EIAB Cn1c(SCC(=O)C2CCCCC2)nnc1-c1ccc(Cl)cc1 14171141 CVHFSNDSZKHXFQ-UHFFFAOYSA-N 349.887 4.377 0 40 EIAB Cc1ccc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)cc1 15083069 LRKRORFFDIQUNL-UHFFFAOYSA-N 328.347 4.106 0 40 EIAB CCc1cccc(OCC(=O)Nc2ccccc2OC(F)(F)F)c1 16724582 SMMMEJIQVFSPRP-UHFFFAOYSA-N 339.313 4.165 0 40 EIAB COc1ccc(Br)c(C(=O)N[C@@H](C)c2cccs2)c1 17841908 UWYHGOAYBBSLDK-VIFPVBQESA-N 340.242 4.010 0 40 EIAB Cc1cc(C)c(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c(C)c1 19910820 OBUALOMXSLSIHU-UHFFFAOYSA-N 340.814 4.098 0 40 EIAB O=C(O)c1ccc(CSc2nnc(-c3ccccc3Cl)[nH]2)cc1 19928151 IIZSWEFZGCQMDP-UHFFFAOYSA-N 345.811 4.116 0 40 EIAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(F)cc1 21707879 XCWGOMWXMPRZNM-AWEZNQCLSA-N 329.415 4.379 0 40 EIAB COc1ccc(NC(=O)c2cccnc2Nc2ccccc2C)cc1 22072063 VYBYWGBMNQWYTK-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB CN(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1 22396557 BZZUSCQGTZRVFI-UHFFFAOYSA-N 345.402 4.024 0 40 EIAB O=C(NCC[C@H]1CCCO1)c1cc(-c2ccccc2)nc2ccccc12 23876074 SVTXYBZKMRXNAK-QGZVFWFLSA-N 346.430 4.201 0 40 EIAB O=C(CCc1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 24024568 VXEIRCYTJJYTPR-UHFFFAOYSA-N 331.375 4.394 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 30221212 BKLPVUPCTGJMBD-UHFFFAOYSA-N 347.462 4.159 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N(C)C3CCCCC3)cc2)C1 30863018 ULRHPNGYGPCTBF-KRWDZBQOSA-N 328.500 4.323 0 40 EIAB O=C(CCCc1nc2ccccc2[nH]1)NCCCC1CCCCC1 31934755 QLYNVTKSVCMONH-UHFFFAOYSA-N 327.472 4.362 0 40 EIAB O=c1c2ccsc2ncn1Cc1sc2ccccc2c1Cl 32758454 PPOCHBUHVRGKQY-UHFFFAOYSA-N 332.837 4.374 0 40 EIAB O=C(Nc1ccc(F)cc1F)N[C@@H](c1ccccc1)c1ccccn1 33040353 FYZXDUJFTRHCAQ-SFHVURJKSA-N 339.345 4.271 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1 36140930 CWUOAFAXXZTXTO-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccc(F)c(F)c2)C1 36366902 JNRKIXZJGDJCFI-LLVKDONJSA-N 343.308 4.413 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@@H](c2cccnc2)C1 36366939 LDXMODJCEJLYGQ-GFCCVEGCSA-N 342.761 4.183 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F 36390389 LMHGMIDPLUOYBX-SDDRHHMPSA-N 332.341 4.307 0 40 EIAB COc1ccccc1NCc1n[nH]c(=S)n1-c1cc(C)ccc1C 40163748 WFUZBUFMBQEEIC-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1 44947900 AZEPQVANNBOIEK-LJQANCHMSA-N 331.481 4.202 0 40 EIAB Cc1cc2oc(=O)cc(CN(C)Cc3cccs3)c2cc1Cl 57024646 BYJKDJHDNCFJDB-UHFFFAOYSA-N 333.840 4.448 0 40 EIAB Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 57838037 BWJNUEOMYHBPQY-GOSISDBHSA-N 345.464 4.345 0 40 EIAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1 60993438 KQPLJPLDBPQFIU-UWVGGRQHSA-N 331.363 4.133 0 40 EIAB Cn1cccc1CN(C(=O)C1(c2cccs2)CCCC1)C1CC1 62018295 RDJPEPYGPIYDRK-UHFFFAOYSA-N 328.481 4.090 0 40 EIAB CCc1ccc(C(=O)Nc2ccccc2Sc2nncs2)o1 69708384 RJFLGCHPQUFPMZ-UHFFFAOYSA-N 331.422 4.097 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 71185554 WZJCRPDDYZVGGV-UHFFFAOYSA-N 345.491 4.408 0 40 EIAB Cc1csc(N(CC(F)(F)F)C(=O)[C@@H]2CCc3ccccc32)n1 71803771 NJPQTGDIMZZVHM-CYBMUJFWSA-N 340.370 4.077 0 40 EIAB CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288648 DUQDHHJTGJMBOK-MLGOLLRUSA-N 331.847 4.440 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@H](C)OCC)n2)c1C 79003958 WBKLIZBNRGXTFI-ZDUSSCGKSA-N 335.473 4.002 0 40 EIAB Cc1nn(Cc2ccccc2)c2c1[C@H](C(F)(F)F)SCC(O)=N2 79490225 WZYZNWWCKKQHIF-CYBMUJFWSA-N 341.358 4.178 0 40 EIAB COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(Cl)nc1C 89536931 FBCKBEOLROEBNT-LBPRGKRZSA-N 333.815 4.289 0 40 EIAB Cc1ccc(C[C@H](C)NC2CCN(C(=O)CC(C)(C)C)CC2)s1 95422776 HJHLPGYMFNPAOV-AWEZNQCLSA-N 336.545 4.004 0 40 EIAB Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cn1 96446962 RNOIATKDTRZLKP-INIZCTEOSA-N 346.434 4.012 0 40 EIAB C[C@@]12C[C@H](NC(=S)N1c1ccccc1)c1cccc(Cl)c1O2 101170059 XXHILIDXRKYVAM-WMLDXEAASA-N 330.840 4.275 0 40 EIAB Fc1cccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c1 101322343 INQNHZYRYKKPDY-INIZCTEOSA-N 326.762 4.127 0 40 EIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCc2sccc2[C@@H]1c1cccs1 102504717 JKJGXPKYGPFPOM-BWQRHGBYSA-N 341.501 4.496 0 40 EIAB COc1cc(CNC(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C 222633445 INKZIBJVPJVOHF-UHFFFAOYSA-N 348.830 4.458 0 40 EIAB CC(C)Oc1cccc(CNC(=O)COc2ccc3ccccc3c2)c1 222833404 YSQBSWPDWSNRQG-UHFFFAOYSA-N 349.430 4.322 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 222948599 XCNYEUKDTQUMHC-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccccc2C(C)C)cc1C 223780525 LAYJUQTWXJBSAD-UHFFFAOYSA-N 325.452 4.165 0 40 EIAB COc1ccc(C(=O)N2CCCC2)cc1COc1cccc(Cl)c1 224149252 WDIWMUYJOFTQSI-UHFFFAOYSA-N 345.826 4.164 0 40 EIAB Cc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225617891 ZYPRUYQWFFCSPR-ZDUSSCGKSA-N 332.241 4.177 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 245358624 ZWULMDXKCIEODN-QITLCBANSA-N 344.480 4.100 0 40 EIAB COc1cccc2cc(C(=O)NCCSc3ccc(C)cc3)oc12 408701183 SYLQCFONVYCMOA-UHFFFAOYSA-N 341.432 4.272 0 40 EIAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409067100 PDLXAJBBEHIEQO-GXDHUFHOSA-N 332.812 4.187 0 40 EIAB CC[C@H](C)[C@@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 575443036 DTIMJGYGBDYIEF-KBXCAEBGSA-N 336.439 4.150 0 40 EIAB CSCCCN(C(=O)c1cnc(C(C)(C)C)s1)c1cccnc1 602369264 RAFXJNBMAQIEEO-UHFFFAOYSA-N 349.525 4.236 0 40 EIAB COc1ccc(CCC(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969781 KZSKIRSXNGSWAT-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Cc1ccc2nc(N3CC(Cn4ccnc4C(C)C)C3)sc2c1 2087147321 XVVNKVHGBBDNSO-UHFFFAOYSA-N 326.469 4.061 0 40 EIAB Cc1cc(C)c2c(N)c(C(=O)N3CCCc4ccccc43)sc2n1 115227 JVXACFFFOMRGGN-UHFFFAOYSA-N 337.448 4.088 0 40 EIAB COc1ccc2cc(C)c(SCC(=O)N3CCCCCC3)nc2c1 412496 WCFKFRQGMBDDAG-UHFFFAOYSA-N 344.480 4.047 0 40 EIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 505685 IWLWXIFVVMXNNL-OAHLLOKOSA-N 326.440 4.284 0 40 EIAB CCN(CC)c1ccc(NC[C@H](O)c2cc(Cl)ccc2OC)cc1 1665277 HPUSDYJBVWYKKF-SFHVURJKSA-N 348.874 4.340 0 40 EIAB Cc1ccccc1OCCSc1nnc(-c2ccc(F)cc2)n1C 2621300 UYMWQIGLWXUEDF-UHFFFAOYSA-N 343.427 4.101 0 40 EIAB O=c1c(Cl)c(NCc2ccccc2Cl)cnn1-c1ccccc1 3566531 WEBVGYFPUCPACZ-UHFFFAOYSA-N 346.217 4.151 0 40 EIAB CC(=O)Oc1ccc(C)c2c1[C@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 4026233 RNKRHMVSDHMQGT-WOYCLPQFSA-N 326.436 4.346 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4037906 CEZKLEHYJURHTB-GEIXDPLRSA-N 349.515 4.115 0 40 EIAB biogenic Cc1c(C)n(-c2ccccn2)c2ncnc(Nc3ccc(F)cc3)c12 5347742 BEULJPHJVLKBLL-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Cl)ccc1Cl 5440498 PRBIHSNUIYHSOO-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)C(F)(F)F)cc1 5750495 CNYGYOLNXCXAQQ-UHFFFAOYSA-N 341.716 4.015 0 40 EIAB CCn1c(C)cc(C(=O)CSc2ncnc3sccc23)c1C 6115296 SIYPMCGFQDBOSO-UHFFFAOYSA-N 331.466 4.105 0 40 EIAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc2ncsc2c1 6649154 ZVNYDWAIQLPYJQ-CYBMUJFWSA-N 326.446 4.263 0 40 EIAB Cc1occc1-c1nnc(SCc2nc(-c3cccs3)no2)o1 7218869 FOPMBLFYVVFPMO-UHFFFAOYSA-N 346.393 4.042 0 40 EIAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2C)cc1OC 7406711 AULGYWZKILMDKT-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(F)cc1 7723889 NHSGKOSFQUOHHX-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1Cl 8061161 FTUAWPXISUTTJI-UHFFFAOYSA-N 341.798 4.161 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=O)cc1Cl 8550822 GSNLYTRSBNTHLD-UHFFFAOYSA-N 338.190 4.132 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccccc1OC 8558481 YQCPVURREDFFCB-INIZCTEOSA-N 327.424 4.362 0 40 EIAB Cc1csc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)n1 8909636 INSIMBRMZZTFPD-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB COc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 9114159 INBGCWFGRKPFED-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 10329959 ZWSWSZMYXIJQCK-UHFFFAOYSA-N 336.204 4.468 0 40 EIAB COc1ccccc1Oc1ccc(NC(=O)c2ccccc2O)cc1 11516263 CJUHUCOFGGPZHB-UHFFFAOYSA-N 335.359 4.445 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 12600157 VACDSKHVWASARO-UHFFFAOYSA-N 343.386 4.394 0 40 EIAB CN(Cc1ccsc1)c1nn2cc(-c3ccccc3)nc2s1 12731869 NLFYSAIFBRGFFU-UHFFFAOYSA-N 326.450 4.156 0 40 EIAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 12783480 GFAFFJANDKNARX-BETUJISGSA-N 347.459 4.012 0 40 EIAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc2ccccc12 12946928 NHPHUFUVYORRKI-UHFFFAOYSA-N 327.387 4.207 0 40 EIAB Cc1cccc(C)c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12999137 BERAWIPNRQDTDY-CYBMUJFWSA-N 341.382 4.150 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13708923 WQSMJAYSCUNFDL-CQSZACIVSA-N 349.386 4.032 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccc(C)nc12 15835285 YRCVNTUVYDPWJB-SFHVURJKSA-N 338.382 4.478 0 40 EIAB Fc1ccc(Cl)cc1NC(=S)Nc1ccc2c(c1)OCCO2 17450531 VJMMQRAMGQDKCC-UHFFFAOYSA-N 338.791 4.059 0 40 EIAB COc1ccc(C2(CNC(=O)c3ccc(F)c(F)c3)CCCC2)cc1 21691210 PYWJVWOLVJYBMF-UHFFFAOYSA-N 345.389 4.215 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 24577876 RKTXNFKANLJIKA-KSSFIOAISA-N 342.439 4.186 0 40 EIAB CCc1ccc(OCc2ccc(C(=O)N3CCCCCC3)o2)cc1 28235692 MYVSEGOLTURZES-UHFFFAOYSA-N 327.424 4.437 0 40 EIAB Cc1cc(OCc2nc3c4ccccc4ncn3n2)cc(C)c1Cl 32117724 TVYYXLXTVBXXJS-UHFFFAOYSA-N 338.798 4.127 0 40 EIAB CC(=O)c1ccccc1NC(=O)c1csc(Cc2ccccc2)n1 33150009 OKOACFHGENWJJM-UHFFFAOYSA-N 336.416 4.189 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2F)c1 36355104 SAAIBULSDAXQDG-OAHLLOKOSA-N 337.354 4.144 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccco3)o2)cc1C 44894309 DMQKPHNTELWMDN-UHFFFAOYSA-N 338.407 4.143 0 40 EIAB O=C(NCc1ccccc1Cl)c1ccccc1Oc1cccnc1 51977118 SGVKRIPOQFQVHU-UHFFFAOYSA-N 338.794 4.457 0 40 EIAB O=C(NCc1ccccn1)Nc1cccc(C2SCCCS2)c1 53247302 OFNWKUQWIRKRKV-UHFFFAOYSA-N 345.493 4.272 0 40 EIAB Cc1ccc(C(=O)C2CCN(c3ncnc4ccsc34)CC2)cc1 54124135 MVUOLILDWUBBBT-UHFFFAOYSA-N 337.448 4.099 0 40 EIAB CCc1sc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1C 58081230 AGCJZXYTWDSSNV-UHFFFAOYSA-N 325.437 4.116 0 40 EIAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68756316 XIGFGPGVBNVZJQ-KBPBESRZSA-N 335.234 4.151 0 40 EIAB C[S@](=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 69623217 FWJIQGVXBWCLEC-OAQYLSRUSA-N 346.210 4.122 0 40 EIAB CC(C)N1CC[C@H](Nc2nc(-c3ccsc3)nc3ccccc23)C1 71832805 ZQZNLSYYJHAHRU-HNNXBMFYSA-N 338.480 4.253 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1csc(C)n1 72271603 MCKSDBNGIKTBJZ-QMTHXVAHSA-N 335.498 4.293 0 40 EIAB C[C@@H]1CCCN1C(=O)CCN1Cc2ccccc2-c2ccccc2C1 72304881 BDKRPOCMYMEVGJ-QGZVFWFLSA-N 334.463 4.070 0 40 EIAB Fc1ccccc1-c1cccc([C@@H]2CCCN(C3CCOCC3)C2)n1 72350074 CGWIGJSHAHZJKB-MRXNPFEDSA-N 340.442 4.246 0 40 EIAB Cc1ccc(C)c2c(C)c(C(=O)N3CCN(C)Cc4ccccc43)oc12 78415624 PFCBLBVMQPMFGH-UHFFFAOYSA-N 348.446 4.450 0 40 EIAB CN(C(=O)C[C@@H]1C=CCC1)[C@H](c1cccnc1)c1ccc(F)cc1F 78509916 KIKASDIMWZUVLS-JLTOFOAXSA-N 342.389 4.264 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(NC2CC2)nc1 84129142 UVRFDOHPNCHUQZ-MRXNPFEDSA-N 339.439 4.001 0 40 EIAB CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1cccc(C)c1 87160915 UEMOMTJNOJLLMO-GOSISDBHSA-N 326.440 4.014 0 40 EIAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCc1ccnc(N2CCCC2)c1 89857758 TWSIGSXDTBWPRQ-IBGZPJMESA-N 349.478 4.218 0 40 EIAB O=C(Nc1c(O)cccc1F)c1csc(-c2ccccc2F)n1 95398741 HIQGWWDRHCKGHL-UHFFFAOYSA-N 332.331 4.046 0 40 EIAB CCOc1ccc(NC(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)cc1 95465791 LXPCMRPRQDMANA-WMZOPIPTSA-N 334.460 4.191 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)o1 96417639 JIVJLGKELBEYTC-KGLIPLIRSA-N 339.395 4.364 0 40 EIAB Cc1cccc(NC2CCN(C(=O)Nc3cccnc3Cl)CC2)c1 96421379 QBEGBQZDIKOMOO-UHFFFAOYSA-N 344.846 4.152 0 40 EIAB Cc1c(CSC(C)C)cccc1NC(=O)N(C)Cc1cnccn1 96435340 OECPYQSWYHLYMI-UHFFFAOYSA-N 344.484 4.091 0 40 EIAB Cc1ocnc1CNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 96491765 OQXOLJHSENHFOV-HNNXBMFYSA-N 349.434 4.003 0 40 EIAB CC[C@H](NC(=O)N1CCC2(CCOCC2)C1)c1cccc(Cl)c1 98014408 BGTQSUTTXFFBFH-INIZCTEOSA-N 336.863 4.003 0 40 EIAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 113945584 MSQOIOLWZFZHIM-CQSZACIVSA-N 347.842 4.211 0 40 EIAB FC(F)(F)c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 138708172 JITJNSRKMZGWMW-UHFFFAOYSA-N 333.029 4.363 0 40 EIAB O=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 188942576 IEWPNMLZOSNRHR-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB O=C(O)c1cc2c(N3CCCCC3)nc(-c3ccccc3)nc2s1 217689804 WHFUNGCMYSTJJA-UHFFFAOYSA-N 339.420 4.047 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCCCc2ccc(Cl)cc2)c1 218967537 UBFNTLHTEJGPTD-UHFFFAOYSA-N 345.870 4.393 0 40 EIAB O=C(COc1ccccc1Cl)NCc1cccc2ccccc12 222863149 MLFIRRBOQCBMDG-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223209455 ABPIZLVXJYKDCR-KGLIPLIRSA-N 343.854 4.473 0 40 EIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1F 223436197 HVEUXKVTBDRJLT-UHFFFAOYSA-N 349.811 4.141 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 224190471 PEOMCZUXEPDASV-RBUKOAKNSA-N 349.459 4.469 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 224219929 VRIAVZVKQIKNDZ-MOPGFXCFSA-N 348.475 4.204 0 40 EIAB CCCNC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224285116 LLKGWLPNBUXBEF-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB CC[C@H](C(=O)NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 225608401 ZAKHOAQFWKPTTC-ZWKOTPCHSA-N 331.843 4.074 0 40 EIAB COc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(N)c1 226347298 YJQSQFLGPKDGHS-UHFFFAOYSA-N 332.812 4.398 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)c(C)cc1N 226349639 JWEFYBPOMZZKLZ-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2c3c(cccc13)CC2 226861835 ALEIGJRQTHWCDP-UHFFFAOYSA-N 344.819 4.360 0 40 EIAB CC[C@H](C)n1ncc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C 390834062 RCCKKAOZTFNTBG-QMMMGPOBSA-N 341.242 4.304 0 40 EIAB CCCOc1ccc(Cl)cc1C(=O)Nc1cc(OC)ccc1OC 408589121 YTJNQUNLZLYEPZ-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 408713309 RZPXOJVZWMHFSK-UHFFFAOYSA-N 347.201 4.098 0 40 EIAB Brc1ccccc1CNc1nccn1Cc1ccccc1 508455082 XZIMHGUJJDCDDU-UHFFFAOYSA-N 342.240 4.306 0 40 EIAB O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1cc2ccccc2c(O)n1 577928696 BDQMQGMZXFIMET-SJLPKXTDSA-N 346.430 4.397 0 40 EIAB C[C@]1(c2ccccc2)CCCN(Cc2cnc(O)c3ccccc23)C1 1559534524 OTYPJZYBMJHSFS-QFIPXVFZSA-N 332.447 4.494 0 40 EIAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnc(O)c2ccccc12 1652530694 UVFOFNCNASNANE-HOCLYGCPSA-N 336.410 4.458 0 40 EIAB CC1(C)C[C@]2(CCCN2Cc2nccs2)CN1c1cccc(F)c1 2037989085 UYIOFRYENSHXGX-LJQANCHMSA-N 345.487 4.306 0 40 EIAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc3ccccc23)N1 408722 VZLUBLQTLIFDKP-VQTJNVASSA-N 342.398 4.009 0 40 EIAB biogenic CCN(C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1 573747 WSKIZQMRENKHOK-UHFFFAOYSA-N 346.430 4.287 0 40 EIAB COCc1cc(Oc2cccc(C(F)(F)F)c2)nc(SC)n1 1389098 ZIOLYSPLZNNJBT-UHFFFAOYSA-N 330.331 4.156 0 40 EIAB COc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 1516400 FABBCQPEOMBGST-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1 1934312 SOJMJZAHSHEQDT-UHFFFAOYSA-N 345.398 4.000 0 40 EIAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CC1CCCC1 3324346 OLMSTSXFCXNRTB-UHFFFAOYSA-N 336.863 4.016 0 40 EIAB CCc1ccc(N[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 3647950 RRJROCXPCPUFOE-INIZCTEOSA-N 326.421 4.195 0 40 EIAB Cc1ccc2c(NC(=O)c3ccc(Br)o3)cccc2n1 4815465 ONMRAXFOTCPVCI-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)cc1 5164916 BMZSENJQXBBNQS-UHFFFAOYSA-N 348.446 4.196 0 40 EIAB CSc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(Cl)c1 5186482 KXEMJMHYNVRREX-UHFFFAOYSA-N 349.818 4.189 0 40 EIAB CCCCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 5552450 LKFZRRQYEYFNRD-XFXZXTDPSA-N 340.242 4.286 0 40 EIAB CCCCNc1ccccc1C(=O)OCC(=O)c1ccc(F)cc1 5656640 AIWOKIMQUFWKLN-UHFFFAOYSA-N 329.371 4.077 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1OCC 6273805 KCXFOMPIXPAPPM-UHFFFAOYSA-N 329.396 4.222 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 6463924 BSXFVBUECBHAJW-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB Fc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 6584512 PRDNNQLUOHGMFU-CVEARBPZSA-N 328.778 4.217 0 40 EIAB Cc1cc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)ccc1Cl 6792876 HSHYVJXBJYWJBY-UHFFFAOYSA-N 340.810 4.363 0 40 EIAB Cc1ccc(SCCN2C(=O)NC3(CCCCCCC3)C2=O)cc1 6974803 VYSDPGYQAHWHDY-UHFFFAOYSA-N 346.496 4.122 0 40 EIAB Cc1cc(COC(=O)/C=C/c2ccc(-c3ccccc3)s2)no1 7420595 JJDYCSPHXBXWDN-CSKARUKUSA-N 325.389 4.468 0 40 EIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 7652750 RLDYCSNQOIOQLU-INIZCTEOSA-N 348.446 4.307 0 40 EIAB CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccsc1 7926878 IRYNTFLOALBTDS-UHFFFAOYSA-N 329.252 4.125 0 40 EIAB Cc1ccccc1SCC(=O)OCCCC(=O)c1ccc(F)cc1 7986484 XBBBFEWOKJCTFG-UHFFFAOYSA-N 346.423 4.433 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)Nc2cc(C(=O)O)ccc2C)cc1 8267021 ANVPGXSHMQTYAM-CYBMUJFWSA-N 329.421 4.121 0 40 EIAB NC(=O)c1ccccc1OCc1csc(-c2ccc(Cl)cc2)n1 8327560 IQCAKGBUQDIOJZ-UHFFFAOYSA-N 344.823 4.141 0 40 EIAB Cc1ccc(OCCCC(=O)NCCCc2cccc(C)c2)cc1 10110827 CRALYGZXXUGQSE-UHFFFAOYSA-N 325.452 4.211 0 40 EIAB COc1ccc2cc(CNC(=O)COc3cc(C)cc(C)c3)ccc2c1 11124264 DMVWLHQJAHGYSU-UHFFFAOYSA-N 349.430 4.160 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 11524030 IVLOFNAEFTVFDK-UHFFFAOYSA-N 337.448 4.457 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1nnc(C2CCCCC2)s1 12806810 HDZRLROXKWIQSV-UHFFFAOYSA-N 335.860 4.420 0 40 EIAB O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 13388855 CICXYBUCWMRUSW-NSHDSACASA-N 344.219 4.001 0 40 EIAB O=C1O[C@H](C(=O)Nc2ccccc2-c2cccs2)Cc2ccccc21 14704925 XUINEDZIMGVFHH-KRWDZBQOSA-N 349.411 4.135 0 40 EIAB O=C(CSc1cccc2cccnc12)N1CCCc2ccccc21 16524741 GISUDHDKVQIHCD-UHFFFAOYSA-N 334.444 4.306 0 40 EIAB Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1[C@@H](O)CC(C)(C)C2 16806036 BFGIPQWEXCGAIE-ZDUSSCGKSA-N 333.815 4.500 0 40 EIAB CC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 17113059 WXAIYXQBAGLHGE-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(OCCc3ccccc3)cc2)C1 20745080 VKKSAAZSIDMNHU-QGZVFWFLSA-N 333.391 4.155 0 40 EIAB O=C(NC1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 22513988 XSZLUVIPZSATNA-UHFFFAOYSA-N 334.463 4.312 0 40 EIAB C[C@@H](NC(=O)c1cccnc1SC(F)F)c1ccccc1F 24629013 CQGUALXNTNUXGA-SECBINFHSA-N 326.343 4.026 0 40 EIAB O=C(/C=C/c1ccco1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29849836 PBSFOJIWVUODAY-JNCYCUAHSA-N 329.399 4.467 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)nc1 30009476 WTGQQUJPJDAJHU-UONOGXRCSA-N 327.428 4.043 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1C 30853144 YKHOMZOOSYFPGG-INIZCTEOSA-N 335.513 4.253 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(OCc2cccs2)cc1 32930527 IZWCJULPGFFLTE-UHFFFAOYSA-N 339.416 4.345 0 40 EIAB Fc1ccc(-c2cn3nc(-c4ccco4)c(-c4ccco4)nc3n2)cc1 35322807 QSJAUPRNADERNW-UHFFFAOYSA-N 346.321 4.450 0 40 EIAB c1cc(-c2nc(CSc3ccc4c(c3)OCCCO4)no2)cs1 39554146 KNMRCATWJCQYOU-UHFFFAOYSA-N 346.433 4.252 0 40 EIAB Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1C(=O)N1CCCC1 40107668 SRUONDIOLMGOTD-UHFFFAOYSA-N 342.826 4.137 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccsc1 40138987 XGEDHRDVIQFTIB-CVEARBPZSA-N 328.437 4.118 0 40 EIAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)CCc1ccccc1 40457540 ACRTUBRZSVHOKD-UHFFFAOYSA-N 349.434 4.106 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2)ns1 42090736 NNZDQEKHSSBWMJ-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB CCn1c(S[C@H](C)c2cccnc2)nc2sc(C)c(C)c2c1=O 58245411 YBVDAFUROIEIOY-GFCCVEGCSA-N 345.493 4.343 0 40 EIAB O=C1N[C@@H](c2csc(-c3ccsc3)n2)Nc2cc(Cl)ccc21 58377939 YOZRWTZELUTXFH-ZDUSSCGKSA-N 347.852 4.379 0 40 EIAB O=C(Nc1nc2ccc(Br)cc2s1)NC1CCCC1 62017446 AIOHWVMUSNUUSM-UHFFFAOYSA-N 340.246 4.123 0 40 EIAB CN(C(=O)Nc1ccccc1)[C@H](c1cccc(F)c1)c1ccccn1 65548705 YYDYDAXQJFPBBU-LJQANCHMSA-N 335.382 4.474 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)o1 71902614 ORDFKSLCBLLIDU-NSHDSACASA-N 344.802 4.179 0 40 EIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2cccnc2)n1 72379063 KXTRASNIXGTSOQ-IBGZPJMESA-N 347.466 4.123 0 40 EIAB CCOc1ccc(N[C@H](C(=O)N(CC)CC)c2ccccc2)cc1 98081135 FCOVQNAMXQTMHA-IBGZPJMESA-N 326.440 4.107 0 40 EIAB CSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 102665621 ZJEKYKPJCRBHNZ-CQSZACIVSA-N 346.843 4.325 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222622091 ZVIICBDKUAPRLQ-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB CCOc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1Cl 224109712 ANBNSLHPYVUSJP-UHFFFAOYSA-N 347.842 4.164 0 40 EIAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccccc1 224152356 KQMXIYGWOCGVCH-SJORKVTESA-N 337.473 4.320 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC[C@H](C)c1ccccc1 224467029 GRKKCKDDMVKGGD-QFBILLFUSA-N 325.452 4.381 0 40 EIAB Cc1cccc(NC(=S)NCCCSCc2ccc(F)cc2)n1 225616647 ZRBVNCLITGGLIA-UHFFFAOYSA-N 349.500 4.139 0 40 EIAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccccc3)CCCC2)s1 225680332 IAPJELODLIOCGF-AWEZNQCLSA-N 329.465 4.043 0 40 EIAB O=C(Nc1cccc(OC(F)F)c1)c1ccnc(OC2CCCC2)c1 252497417 QGZBMNMJSZYADX-UHFFFAOYSA-N 348.349 4.257 0 40 EIAB CCc1ncsc1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 282785223 GJBIQJNQXZPQTC-LBPRGKRZSA-N 330.453 4.286 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c(C)c1 408680598 NZEFCCFRNAWQQS-QZTJIDSGSA-N 325.452 4.208 0 40 EIAB COc1ccc(-c2nnc(SCCC(F)=C(F)F)o2)cc1OC 521394941 CDJKYIUACJBYMF-UHFFFAOYSA-N 346.330 4.314 0 40 EIAB Cc1ccc(NC(=O)NCC[C@@H](CCO)c2cccs2)cc1C 575606814 JSFVVGPLQJHSRA-HNNXBMFYSA-N 332.469 4.043 0 40 EIAB Cn1cc(CNc2ccc3ccnc(O)c3c2)c(C2CCCCC2)n1 580887252 NMXAOICGKPWCQD-UHFFFAOYSA-N 336.439 4.334 0 40 EIAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC)CC2=O)cc1 251993 WINLGPZAYVIGNH-INIZCTEOSA-N 333.435 4.139 0 40 EIAB c1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1 346645 LHILIMCFIJCSHA-UHFFFAOYSA-N 333.460 4.040 0 40 EIAB CCOc1ccc([C@@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 348388 WUCDVUYSHKJRHY-FCHUYYIVSA-N 339.479 4.388 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 364360 LFRMCJYLHBACGJ-UHFFFAOYSA-N 333.362 4.238 0 40 EIAB Cc1sc2ncnc(SCC(=O)N(C)C3CCCCC3)c2c1C 422600 MQRMBLZPEFHXRT-UHFFFAOYSA-N 349.525 4.191 0 40 EIAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCCc1ccccc1 521702 RYXMPHORPBJKNC-IBGZPJMESA-N 337.394 4.300 0 40 EIAB Cc1ccc(F)cc1NC(=O)Cc1ncc(C(F)(F)F)cc1Cl 1386221 MIZVHWCCMVMLLQ-UHFFFAOYSA-N 346.711 4.383 0 40 EIAB Cc1cc2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)n2n1 2786731 FTXZKKVJSNLPHQ-UHFFFAOYSA-N 343.255 4.325 0 40 EIAB COc1ccccc1-c1c(C)nn2c(N3CCCCC3)cc(C)nc12 3063554 VWMDDKCCNPBTPV-UHFFFAOYSA-N 336.439 4.012 0 40 EIAB CCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 3533563 LXHZJSXHTAIFSP-UHFFFAOYSA-N 327.409 4.230 0 40 EIAB Cc1ccc(CN(C)C)c(C(O)(c2ccccc2)c2ccccc2)c1 4975101 AXVSLCPFYCYOCB-UHFFFAOYSA-N 331.459 4.341 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 5462175 RXMXKRKNZQLWAB-MRXNPFEDSA-N 349.405 4.499 0 40 EIAB c1cncc(-c2nnc(SCc3nc4ccccc4s3)o2)c1 6100099 RJXFKYRURBLJNP-UHFFFAOYSA-N 326.406 4.034 0 40 EIAB COc1ccc(Cl)cc1-c1n[nH]c(SCCc2ccccc2)n1 6463913 WZCYVUXYQGZRPH-UHFFFAOYSA-N 345.855 4.469 0 40 EIAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2cccs2)no1 6868041 DEPZPMRVSNBYGB-UHFFFAOYSA-N 330.752 4.225 0 40 EIAB CCOc1ccc2nc(NC(=O)CCc3ccsc3)sc2c1 7269272 XHPZCQOQKOPTPM-UHFFFAOYSA-N 332.450 4.328 0 40 EIAB Cc1cc(-c2nnc(CN[C@H](C)c3ccccc3Cl)o2)c(C)o1 7499799 SJIRYZAGGIHOLN-LLVKDONJSA-N 331.803 4.451 0 40 EIAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 7610296 USIYQEVHMDTYQD-UHFFFAOYSA-N 346.239 4.060 0 40 EIAB Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2ccccc2)cc1 7686035 HBFVHFQXQOTJAL-QFIPXVFZSA-N 331.415 4.280 0 40 EIAB Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1F 7850999 OIUBZENAWYIJMC-UHFFFAOYSA-N 346.833 4.058 0 40 EIAB CC[C@H](C)[C@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 7969772 PVDCDPAPMMLEOF-LIRRHRJNSA-N 327.424 4.472 0 40 EIAB CCSc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 8708436 SXUUMAPFGUGKOI-UHFFFAOYSA-N 332.454 4.001 0 40 EIAB C[C@H](CNC(=O)Nc1ccccc1)c1nc2ccccc2n1C(F)F 8778875 CIVBMHLLFIXDPA-GFCCVEGCSA-N 344.365 4.357 0 40 EIAB Cc1ccc(-n2ccnc(SCc3ccccc3Cl)c2=O)cc1 9320351 JRISPBDTWZLJNO-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB CC(C)Oc1ccc(/C=C2/N=C(c3ccccc3Cl)NC2=O)cc1 9332880 UFFMLHFANRYHBN-GZTJUZNOSA-N 340.810 4.045 0 40 EIAB Cc1ccccc1-c1ccnc2[nH]n(-c3ccc(Cl)cc3)c(=O)c12 10157164 AOTVGZGMGWBOCV-UHFFFAOYSA-N 335.794 4.343 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1Cl 10283920 XPTWJORBBZLWKZ-UHFFFAOYSA-N 330.859 4.112 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc2c(c1)OCO2 10410242 XLYKULIXLUVHOX-UHFFFAOYSA-N 325.408 4.418 0 40 EIAB COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c(OC)c1 12323119 PHZVVKVZLVNMLX-UHFFFAOYSA-N 348.402 4.382 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(Cl)cc1 12544500 AFZZCUVJSIGNNP-MRXNPFEDSA-N 325.799 4.194 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CCc2ccccc21 12867470 KDHNYMFAGUGKRQ-OAHLLOKOSA-N 336.218 4.176 0 40 EIAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 12886467 OTKBGTLTFFWPBY-INIZCTEOSA-N 339.435 4.152 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)/C=C/c3ccccc3C)o2)cs1 12990265 ADXIFRIRZOGCKL-JXMROGBWSA-N 338.432 4.350 0 40 EIAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)c1 16283282 NZJIJHJBZFUCTO-UHFFFAOYSA-N 326.421 4.260 0 40 EIAB COc1cccc(CN2CC[C@H](c3cc4ccccc4cn3)C2)c1OC 19567622 ZCXWIICLUNQWJR-SFHVURJKSA-N 348.446 4.242 0 40 EIAB Cc1noc(C)c1CSCC(=O)N1CCCSc2ccccc21 23228196 LYTAEGSWXGISEQ-UHFFFAOYSA-N 348.493 4.054 0 40 EIAB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1Cl 23882771 HRUXKDJHEMFVDK-XNTDXEJSSA-N 339.826 4.260 0 40 EIAB CC(C)c1nc2cc(NC(=O)c3cc(-c4ccco4)on3)ccc2o1 33217379 FFNDPGQCICEVKA-UHFFFAOYSA-N 337.335 4.452 0 40 EIAB Cc1nc2c(c(NC(=O)CCC3CCCC3)nn2C)c(C)c1Cl 35327581 ARXKWKJSYIVKNR-UHFFFAOYSA-N 334.851 4.147 0 40 EIAB O=C(Nc1ccccc1)N1CCc2c3n(c4ccccc24)C(=O)CC[C@H]31 36559113 PPMHYNFDZVOBFT-GOSISDBHSA-N 345.402 4.207 0 40 EIAB biogenic Cc1ccc(C(=O)c2ccc(I)cc2)cc1C 36941452 VQSFTZAFFJMYIL-UHFFFAOYSA-N 336.172 4.139 0 40 EIAB O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1ccccn1 38678821 PMUMRMSYPPVSSJ-UHFFFAOYSA-N 338.392 4.039 0 40 EIAB C[C@H]1CC[C@@]2(CO)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 39205619 PHKSUFCCGLWIMC-LDRHYZDKSA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro C[C@@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1OC(F)F 40115188 ZVSJIADPUBYQIX-LLVKDONJSA-N 341.304 4.257 0 40 EIAB CN(C)[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccco1 40160657 NCFZYXJGSGJJGK-NSHDSACASA-N 333.741 4.062 0 40 EIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc2ccccc2oc1=O 40510899 DAIDKBKCUGYMJJ-UHFFFAOYSA-N 346.342 4.064 0 40 EIAB CC(C)Cc1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 41123420 NAPJVVXMSAFUIJ-INIZCTEOSA-N 333.476 4.292 0 40 EIAB CC(C)CNC(=O)c1ccc(OCCSc2ccccc2)cc1 44901249 RBMVNMAKMBKVPE-UHFFFAOYSA-N 329.465 4.244 0 40 EIAB COCc1c(C(=O)Nc2ccccc2-n2ccnc2)oc2ccccc12 45860099 HYDMOLDGRHRRGO-UHFFFAOYSA-N 347.374 4.017 0 40 EIAB CCOc1ccc(-c2nc(N)cc(Nc3cccc(C(C)=O)c3)n2)cc1 49468098 GIFCQKQNTSVGSQ-UHFFFAOYSA-N 348.406 4.071 0 40 EIAB Cc1ncsc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 55443261 STMLHGUCEZCLDK-LLVKDONJSA-N 338.835 4.091 0 40 EIAB CCc1noc([C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)n1 57467072 SMVPCYSTHUDWHJ-GFCCVEGCSA-N 328.441 4.108 0 40 EIAB O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F 58745446 XJWXDYZPIJITHZ-GFCCVEGCSA-N 334.700 4.038 0 40 EIAB CCC(CC)CN(CC)C(=O)/C=C/c1c(C)nc2sc(C)cn12 58955168 WATFUQPDQIZPBD-MDZDMXLPSA-N 333.501 4.311 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1sccc1C1CC1 67162236 PCPCQEUZBXMZKJ-UHFFFAOYSA-N 337.404 4.460 0 40 EIAB CC(C)(C)OC(=O)NCc1cccc2c1CN(Cc1ccccc1)C2 67173931 KOJVASDSGCZJSI-UHFFFAOYSA-N 338.451 4.227 0 40 EIAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccccn1)C1CC1 69485357 ZBRZZVAYVBXEDQ-KRWDZBQOSA-N 348.368 4.309 0 40 EIAB Cc1ccsc1-c1nc(Cn2ccnc2-c2ccccn2)c(C)o1 71315395 GTYMRPLTDMPINB-UHFFFAOYSA-N 336.420 4.327 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)Nc1cnn(Cc2ccccn2)c1 71911701 MVJOCWTYXKPIKQ-UHFFFAOYSA-N 349.438 4.402 0 40 EIAB Cc1nc([C@H](C)NC(=O)N(Cc2ccc(F)cc2)C2CC2)cs1 72271618 URJAHUZAZQSXDT-NSHDSACASA-N 333.432 4.026 0 40 EIAB Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4[nH]ccc4c3)c2)n1 72403415 FWVMTAORSGHZPG-UHFFFAOYSA-N 330.391 4.223 0 40 EIAB CCN(Cc1nc(-c2cccs2)no1)C(=S)Nc1ccccc1 78579072 BDMBQFDLFKDOKD-UHFFFAOYSA-N 344.465 4.017 0 40 EIAB CN(Cc1cc(Cl)ccc1OCc1cccnc1)[C@H]1CCSC1 89350814 SMPLVCOKMGRLMO-KRWDZBQOSA-N 348.899 4.251 0 40 EIAB Cc1nccn1Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 95398604 TVYJBVSUEMBXJS-SFHVURJKSA-N 349.459 4.068 0 40 EIAB O=C(c1ccco1)N1CCC(N[C@@H](c2ccccc2)C2CCC2)CC1 95421816 MRJDQPBPCXTSSJ-FQEVSTJZSA-N 338.451 4.015 0 40 EIAB c1ccc(OCSc2nnc(-c3cccs3)n2C2CC2)cc1 95984526 AGPRADQZADJDIC-UHFFFAOYSA-N 329.450 4.470 0 40 EIAB CO[C@H]1CCN(c2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2)C1 96381234 PVVWOCSIIHURJZ-IBGZPJMESA-N 338.451 4.089 0 40 EIAB Cc1nc(CC(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cs1 96408350 MXYJODYJULURBZ-UHFFFAOYSA-N 341.436 4.411 0 40 EIAB Cc1nnc(CSCc2cc(Br)ccc2Cl)o1 96467860 WGWJRUJESBUVDE-UHFFFAOYSA-N 333.638 4.227 0 40 EIAB COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1 97165255 JNXSBWRGXYEPOT-GOSISDBHSA-N 346.386 4.280 0 40 EIAB CN(C)CCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 100499159 SKSYBHXULRJCPY-QZQOTICOSA-N 337.492 4.401 0 40 EIAB Cc1noc(C)c1CN(Cc1ccsc1)Cc1c(C)noc1C 103234532 YFGZVCFEJQQAOG-UHFFFAOYSA-N 331.441 4.160 0 40 EIAB CCCOc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1 218980353 HMIBMLBEKVTCCY-UHFFFAOYSA-N 343.492 4.447 0 40 EIAB COc1cccc(CCCNC(=O)CCSCc2ccccc2)c1 218994813 HSDZBPCPFSJNHR-UHFFFAOYSA-N 343.492 4.068 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(C)c2)c(C)c1 222889773 UQLWYEWMLKPJRW-UHFFFAOYSA-N 341.407 4.131 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)SCc2ccccc2)c1 223979216 GBGDKPLKCHOYDV-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)c1 224289853 ASURFSYUDFBKBN-RTBURBONSA-N 348.475 4.204 0 40 EIAB Cc1c(C(=O)O)sc2nc(-c3ccc(-c4ccccc4)cc3)nn12 224971566 CQILIKGHKXXEAQ-UHFFFAOYSA-N 335.388 4.131 0 40 EIAB CCCc1ccc(OCCNC(=O)c2ccc(OC)c(Cl)c2)cc1 225194852 DQRPFRMSRBYLBY-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB CN(CC1=CCCCC1)C1CCC2(CC1)CNCc1ccccc1O2 257343761 ZUHNFPGLJABTGP-UHFFFAOYSA-N 340.511 4.282 0 40 EIAB O=C(Cc1ccccc1Cl)N1CCC(Oc2ccsc2)CC1 575621250 ZHGQKOHRXKTOHX-UHFFFAOYSA-N 335.856 4.014 0 40 EIAB CC(C)Cn1c([C@H]2CCCN2C(=O)c2cccnc2)nc2ccccc21 1615152165 ULKQRHXMJSYFHA-LJQANCHMSA-N 348.450 4.065 0 40 EIAB CCc1ncoc1C(=O)Nc1cnn(-c2ccccc2C)c1C(C)C 1615590835 QQVYQSVPBYZONC-UHFFFAOYSA-N 338.411 4.107 0 40 EIAB O=C(Oc1ccc2ccc(OC(=O)c3ccco3)cc2c1)c1ccco1 365205 VUCVYRMPOMESPP-UHFFFAOYSA-N 348.310 4.464 0 40 EIAB COc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 527922 ANGIKYBZIAREEJ-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)C)ccc2O)c(C)c1 557994 JPCUJPRMXJUPBI-UHFFFAOYSA-N 342.464 4.259 0 40 EIAB O=C(CSc1nc2ccccc2s1)NCc1ccccc1Cl 3602827 XCOITWGOSWPTRD-UHFFFAOYSA-N 348.880 4.358 0 40 EIAB COc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12 4110653 XHTBEVQYIUETPR-UHFFFAOYSA-N 330.394 4.160 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(F)cc2)o1 4275978 VQPFDWINVPKIMB-UHFFFAOYSA-N 347.349 4.210 0 40 EIAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccccc1 4604027 HNNNZTDOQVGHDS-SILNSSARSA-N 333.174 4.071 0 40 EIAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccccc1Cl 5400475 OYPCMQNAFXHVIJ-UHFFFAOYSA-N 333.844 4.119 0 40 EIAB O=C1O[C@@H](CC(=O)c2ccc(Cl)cc2Cl)C(Cl)=C1Cl 5813512 PXRLVDGPDMTNGF-VIFPVBQESA-N 339.989 4.181 0 40 EIAB CN(C)CCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12 7056015 YBAAZVANDXFHSW-UHFFFAOYSA-N 346.434 4.407 0 40 EIAB O=C(COc1cccc(F)c1)N[C@H](c1ccccc1)c1cccs1 7885501 HWEDXCALZKVBEF-LJQANCHMSA-N 341.407 4.172 0 40 EIAB CC(C)OCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 8025699 CHYKCFHBVPKKEK-UHFFFAOYSA-N 338.451 4.464 0 40 EIAB CSCc1ccc(C(=O)Nc2ccc(C)cc2Br)o1 9390123 GPOAUVSLHAUKPF-UHFFFAOYSA-N 340.242 4.466 0 40 EIAB CCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 9502192 ZIJIBRUDPCBKEZ-UHFFFAOYSA-N 331.441 4.143 0 40 EIAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 10281719 OPDRXHZATKTCAV-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB O=C(Nc1nnc(Cc2cccs2)o1)c1cccc2ccccc12 11694655 NMDGAQPYLPNTAX-UHFFFAOYSA-N 335.388 4.127 0 40 EIAB CSCC[C@H](NC(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 12542199 TTXDSEIOALFCFG-KRWDZBQOSA-N 339.464 4.096 0 40 EIAB COc1cc(OC)cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 12921944 NYPCHCUJDMRQMY-CYBMUJFWSA-N 343.448 4.235 0 40 EIAB Cc1ccsc1CN(C)Cc1nc(-c2ccccc2Cl)no1 12971786 RBWKLVQQNFEHNZ-UHFFFAOYSA-N 333.844 4.392 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCSc2ccccc2)c(C)c1 13649621 XHFGGJPDEORXQU-UHFFFAOYSA-N 343.448 4.293 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOc2ccccc21 14160648 CICVBIDTDSPFQX-IBGZPJMESA-N 334.419 4.131 0 40 EIAB Fc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c(F)c1 15083087 XNJGQVZZOYPIHS-UHFFFAOYSA-N 348.765 4.451 0 40 EIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1 15662401 ACDHCTMWDANQFP-SUMWQHHRSA-N 330.453 4.031 0 40 EIAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 15831616 WMGOXBPDWYADAH-GOSISDBHSA-N 340.467 4.144 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 17360961 KMYCLWIBHWNWOY-UHFFFAOYSA-N 349.228 4.100 0 40 EIAB COc1ccc2[nH]c(C)c(CCNCc3ccc(F)cc3F)c2c1 20436679 UGGUOXXZWZMKQP-UHFFFAOYSA-N 330.378 4.095 0 40 EIAB c1ccc2sc(-c3cc(N4CCOCC4)nc4ccccc34)nc2c1 23956362 FPKIVJDAWBHRQY-UHFFFAOYSA-N 347.443 4.348 0 40 EIAB O=C(Nc1ccc(OC(=O)[C@H]2CC=CCC2)cc1)c1cccs1 24006046 IMGGRVCPDKHYND-ZDUSSCGKSA-N 327.405 4.262 0 40 EIAB Cc1cccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)c1 26565320 NFHBCULBIBOKAH-LJQANCHMSA-N 325.477 4.422 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2ccnc2)cc1 30938762 MJRHRSXFXOMFSB-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 31274852 PWACSDKDOHSSQD-MUUKASMTSA-N 348.446 4.015 0 40 EIAB fda COc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 32593467 IXACPQWZPVRTAH-AWEZNQCLSA-N 348.446 4.231 0 40 EIAB O=C(Nc1ccc(Cl)cn1)c1csc(Cc2ccccc2)n1 33158727 VRADOOWURPXUNQ-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB CCCOc1c(CNc2ccc3c(c2)OCO3)cc(Cl)cc1OC 35287248 LHUUILRTZAZHEO-UHFFFAOYSA-N 349.814 4.478 0 40 EIAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl 40114274 FJMAQDKSILMJAN-UHFFFAOYSA-N 343.854 4.444 0 40 EIAB O=C(Nc1c(F)cccc1F)N[C@@H](c1ccccc1)c1ccccn1 43265791 FJQGNBXKKXFWJC-KRWDZBQOSA-N 339.345 4.271 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1cccc(-c2cnco2)c1 48282005 VVGLQCILEHVLST-UHFFFAOYSA-N 326.377 4.005 0 40 EIAB COc1ccc2cccc(NC(=O)c3nc4ccccc4s3)c2n1 49027949 FKVRRINBXHYOPD-UHFFFAOYSA-N 335.388 4.105 0 40 EIAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccco1)C3 55393788 NZCVHCUHSRWQOR-UHFFFAOYSA-N 339.391 4.081 0 40 EIAB biogenic COC(=O)c1cc2cc(OC)c(OCc3ccccc3)cc2s1 62709785 FSPCHTUYTQQPPU-UHFFFAOYSA-N 328.389 4.276 0 40 EIAB CN(Cc1ccccn1)C(=O)COc1ccc2oc3ccccc3c2c1 65530045 SXWBFGQMFWXBRW-UHFFFAOYSA-N 346.386 4.018 0 40 EIAB C[C@@H]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 65566022 BLSLURWNCRBCBY-MRVPVSSYSA-N 341.636 4.066 0 40 EIAB COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)c1 67339704 RZLNMGCASHESGS-VQHVLOKHSA-N 335.359 4.180 0 40 EIAB CCc1sc(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)cc1C 68050995 RLUSASLNAIBMLB-AWEZNQCLSA-N 333.457 4.006 0 40 EIAB C[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1 69618692 GCZQWOUXRFFWAX-CQSZACIVSA-N 337.448 4.015 0 40 EIAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCc1ccccc1 71809755 WUSXHGKGVMDAFT-UHFFFAOYSA-N 341.405 4.100 0 40 EIAB O=S(=O)(Cc1ncc(-c2cccs2)o1)c1cccc(Cl)c1 71890066 GXRJYGNMBFOHSJ-UHFFFAOYSA-N 339.825 4.030 0 40 EIAB C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]1c1ccsc1 71904286 JNXFHXBIGYBAHO-IUODEOHRSA-N 326.425 4.091 0 40 EIAB Cc1nc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c(C(C)C)s1 72402420 IXYDLYBKKRGWII-UHFFFAOYSA-N 345.443 4.168 0 40 EIAB C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)CN(C)C 76091954 JRFTUAVOCSOEDB-JTQLQIEISA-N 332.275 4.091 0 40 EIAB C[C@@H](OC(=O)Cc1c(F)cccc1F)c1cnc2ccccc2c1 79075401 KEXXZWCKHAPUEH-GFCCVEGCSA-N 327.330 4.360 0 40 EIAB O=C(Nc1ccc(Br)c(F)c1)c1cc(F)cc(F)c1 88085640 DDMZCOHUXPXHRE-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB O=C(c1cnc(-c2ccc(C(F)(F)F)cc2)s1)N1CCCC1 89793867 GROZXRZZZCLEQU-UHFFFAOYSA-N 326.343 4.065 0 40 EIAB Oc1nnc(-c2ccccc2)cc1Cc1ccc(Br)cc1 94993229 HBHUZOAWJYXXAR-UHFFFAOYSA-N 341.208 4.203 0 40 EIAB COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cncs2)cc1 95425758 WYAHAPPOYNGGTB-IBGZPJMESA-N 342.439 4.364 0 40 EIAB CC[C@@](CNC(=O)Cc1cccc2ccccc12)(OC)c1ccccc1 96123720 PWJBMCWAJZLKIQ-QHCPKHFHSA-N 347.458 4.450 0 40 EIAB C[C@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@H]1c1ccccc1 96411491 CKVKMXUGIBCJGF-CXAGYDPISA-N 341.436 4.008 0 40 EIAB COc1ccc([C@H](NC2CCSCC2)c2ccc(F)cc2)cc1 96999658 MRMDMBREBWOZJF-LJQANCHMSA-N 331.456 4.409 0 40 EIAB c1ccc(Oc2ccc(CN[C@H]3CCO[C@@]4(CCSC4)C3)o2)cc1 97236028 VVBSSJGZIGDNHO-KXBFYZLASA-N 345.464 4.216 0 40 EIAB COC(=O)N[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917450 CEZKLEHYJURHTB-MNZDUMJDSA-N 349.515 4.115 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219360506 KLMIXTNHNWXCMG-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB O=C(CSC1CCCC1)N1CCS[C@@H](c2cccs2)CC1 219460891 ORNZSFOXNBTNGY-OAHLLOKOSA-N 341.567 4.431 0 40 EIAB CCCNC(=O)c1ccc(OCC)c(COc2ccccc2Cl)c1 224474308 DZMUXDDLZJOXTQ-UHFFFAOYSA-N 347.842 4.458 0 40 EIAB COc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1Cl 225123716 JOASABNFEASTFL-SFHVURJKSA-N 348.826 4.349 0 40 EIAB Nc1cc(C(=O)NC2CC2)ccc1Nc1ccc(Cl)c(Cl)c1 225428409 DAAIYPCBEGLIJD-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB CO[C@H](CNC(=O)c1ccccc1Cl)c1ccc(Cl)s1 225700903 BHWRQEASUIINKU-LLVKDONJSA-N 330.236 4.172 0 40 EIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)nc1C 225886856 QUJLGHDHTPBDIW-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCOc1ccc(CC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 240068132 SJESTZVCBJZIOR-OAHLLOKOSA-N 337.419 4.121 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1Cl 408587979 VKUYXHDDXPEYGB-UHFFFAOYSA-N 339.844 4.102 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2cccs2)o1 575607644 AXXHHHVNVHZHAS-CYBMUJFWSA-N 327.405 4.092 0 40 EIAB CCc1nn(C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1C 1567040691 JQLDGKOKMXVLEU-UHFFFAOYSA-N 335.407 4.336 0 40 EIAB CC(C)(CNC(=O)c1onc2c1CCCC2)c1ccc2ccccc2c1 1615612607 JFQBSKZMOSSJKS-UHFFFAOYSA-N 348.446 4.414 0 40 EIAB Cc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)o1 189118 CGEXVAQJSLYJKI-UHFFFAOYSA-N 338.455 4.036 0 40 EIAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 428161 GFWLVQXLMYYKIY-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB O=C1N(Cc2ccccc2)c2ccccc2[C@]12CCNC21CCCCC1 519848 YTVJAYXPZVRGQR-HSZRJFAPSA-N 346.474 4.167 0 40 EIAB biogenic O=C(O[C@H](C(=O)NC1CCCCC1)c1ccccc1)c1cccs1 1381238 ZBGIDYAFEDPYHM-KRWDZBQOSA-N 343.448 4.095 0 40 EIAB CN(C)CCO[C@@](C)(c1ccccc1)c1ccc(Br)cc1 2019398 URSRSKSNFPUKGH-SFHVURJKSA-N 348.284 4.291 0 40 EIAB in-man C[C@H](Sc1nnc2ccccn12)C(=O)c1ccc(C(C)(C)C)cc1 2627745 BAZGFMYMIVQKRU-ZDUSSCGKSA-N 339.464 4.390 0 40 EIAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OC(F)F 2797004 SQJRZXPCYVNVQE-UHFFFAOYSA-N 339.313 4.387 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Oc3ccccc3Cl)cc2)n1 3284590 DRHILKGUACXEEP-UHFFFAOYSA-N 326.783 4.362 0 40 EIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)c(OC)c1 3359499 DZWBEJCPXDIKGC-UHFFFAOYSA-N 345.826 4.418 0 40 EIAB c1ccc(-c2nnc(SC[C@H]3CCCO3)nc2-c2ccccc2)cc1 3379108 FNAUWAQVSINIOV-QGZVFWFLSA-N 349.459 4.477 0 40 EIAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c(Cl)cccc12 3430078 CEHHZOAZYFYMJG-UHFFFAOYSA-N 329.739 4.376 0 40 EIAB COc1cccc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2)c1OC 3459385 MBQDLWZRYWIFKX-FMIVXFBMSA-N 345.826 4.029 0 40 EIAB O=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1 3512326 XBQHFKZKJXERFF-UHFFFAOYSA-N 331.165 4.135 0 40 EIAB biogenic CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccc(C)c(C)c1 4062755 LBCMUIANLYAKHA-UHFFFAOYSA-N 348.446 4.339 0 40 EIAB CCn1c(CNC(=O)[C@@H](C)Oc2ccccc2)cc2cc(C)ccc21 4973487 ZSRRDGKJEGAXJR-MRXNPFEDSA-N 336.435 4.053 0 40 EIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5529630 FRQMUZJSZHZSGN-RVBYJDAJSA-N 344.495 4.084 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccnc1Cl 5870278 XFASLPAFIOTKDH-UHFFFAOYSA-N 331.586 4.059 0 40 EIAB COc1ccc(-c2n[nH]c(SCCCc3ccccc3)n2)cc1 6586733 WGDRIHFHOIDQIN-UHFFFAOYSA-N 325.437 4.205 0 40 EIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3Cl)oc2c1C 6811343 DRIRXWXZGXGBCW-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CCc1cccc2c(C(=O)COC(=O)C3(c4ccccc4)CC3)c[nH]c12 7489590 JAVHJDXKZAFCRF-UHFFFAOYSA-N 347.414 4.188 0 40 EIAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)c1 7757708 LDFGXMGUHOJFKL-GFCCVEGCSA-N 344.436 4.122 0 40 EIAB O=C(NCc1cccc(Cl)c1)c1csc(-c2cccs2)n1 8274027 YYUZSNFIFAQOFR-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)CSc3ccccc3)o2)cs1 8772286 UJWIOQCTLOVPHL-UHFFFAOYSA-N 344.461 4.120 0 40 EIAB S=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 9391111 WEWXYKHBZJTFSO-IBGZPJMESA-N 339.508 4.100 0 40 EIAB OCc1cc(Br)ccc1OCc1ccccc1Cl 9614048 SONOKFIUVJBOAU-UHFFFAOYSA-N 327.605 4.174 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3ccc4oc(C)nc4c3)[nH]n2)cc1 9679296 KMGVLOIMZCROIU-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB COCc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11074524 GDHUEGWQIHSQQL-UHFFFAOYSA-N 346.430 4.244 0 40 EIAB O=C(NCc1cn2ccccc2n1)c1ccc(Oc2ccccc2)cc1 12624157 MGQBKGRZDFBAKZ-UHFFFAOYSA-N 343.386 4.057 0 40 EIAB COCCc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1 12808487 MVVFSNVBIMJEEE-HNNXBMFYSA-N 342.464 4.294 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)COc2cccc(C)c2C)cc1 13010543 DHERCAZVYDMJJX-IBGZPJMESA-N 339.435 4.055 0 40 EIAB Cc1noc(C)c1COc1ccccc1C(=O)NC1CCC(C)CC1 15934647 YPWZCLYCVGEZIK-UHFFFAOYSA-N 342.439 4.179 0 40 EIAB COc1cc(/C=C(/C)c2ccc3c(c2)OCO3)cc(OC)c1OC 17215903 FLGKKJLARNSJNB-GHXNOFRVSA-N 328.364 4.002 0 40 EIAB O=C1CS[C@@H](c2ccccc2Cl)N1c1ccc(F)cc1F 19927161 PKJALQVLLDWMSI-HNNXBMFYSA-N 325.767 4.397 0 40 EIAB Cc1ccc([C@H]2CC(=O)c3c(nc4nc5ccccc5n4c3C)C2)cc1 20635335 YZGOPGNIOXTXTF-MRXNPFEDSA-N 341.414 4.412 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1sccc1-c1ccccc1 21291601 NTOLYVFUSJVCRS-UHFFFAOYSA-N 327.434 4.396 0 40 EIAB O=C(Cc1cccs1)Nc1cnn(Cc2cccc3ccccc23)c1 28220901 FTXPNXPWWSEGQE-UHFFFAOYSA-N 347.443 4.327 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1 29859289 RSHSOXXEYHPTKF-UHFFFAOYSA-N 336.391 4.230 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C 30758885 KVUZHXRQUUALSP-AWEZNQCLSA-N 329.893 4.145 0 40 EIAB C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(Cl)c1 32827569 CXXOIEQPIZBKGX-CYBMUJFWSA-N 341.842 4.416 0 40 EIAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCC1 35310750 NEIOPHBHODUDID-JLYLLQBASA-N 345.462 4.275 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC21OCCO1 36463062 SXXRMGBMPQWUTB-XSEPRYCASA-N 332.484 4.053 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccccc2SC)ccc1OC 36699831 IKYYZGHBSRDYQT-ZRDIBKRKSA-N 343.448 4.468 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)c3cnn4cccnc34)cc2)cc1 40051148 WVQSMFNWCDMLNP-UHFFFAOYSA-N 344.374 4.082 0 40 EIAB CC(C)Oc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40286789 IOIBRTHHVWWXGI-KRWDZBQOSA-N 348.406 4.178 0 40 EIAB CSc1nnc(SCc2nc3cc(Cl)ccc3n2C)s1 43242342 PTPTYRZCWRXJDS-UHFFFAOYSA-N 342.902 4.092 0 40 EIAB CCc1ccc(CSc2ncc(CN3CCCCC3)c(O)n2)cc1 43804326 NCLXGMRLHNXFOY-UHFFFAOYSA-N 343.496 4.023 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 46407992 SDPBBABUPAASFZ-UHFFFAOYSA-N 348.446 4.472 0 40 EIAB Oc1ccc2c(c1)CCN(c1ncc(C(F)(F)F)cc1Cl)CC2 58298227 VJRBFSFRJYYQNS-UHFFFAOYSA-N 342.748 4.065 0 40 EIAB Cc1cc(CNC(=O)C2=Cc3ccccc3OC2)c2[nH]c(C)c(C)c2c1 65726156 BMBPXBCQEXOUIW-UHFFFAOYSA-N 346.430 4.185 0 40 EIAB CC(C)c1ccc([C@@H](O)Cn2nc(N3CCCC3)sc2=S)cc1 66483723 OHEZMBHULNSAOG-HNNXBMFYSA-N 349.525 4.131 0 40 EIAB Cc1c(NC(=O)N2CCc3ccccc3C2)cccc1OC(F)F 69775869 QRYFTCMYMOMYML-UHFFFAOYSA-N 332.350 4.187 0 40 EIAB Clc1cccc(-c2nc3ccc(-n4cnnc4)cc3o2)c1Cl 70461389 OARLSXXHUQBIDL-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB Cc1ncc(C(=O)N(CC(F)(F)F)c2cccc(C)c2C)s1 71911371 BYIHBYSNHLTQET-UHFFFAOYSA-N 328.359 4.277 0 40 EIAB c1cnc(Nc2cccc([C@H]3CCCN3CC3CCCCC3)n2)nc1 72375242 WJHBUEGOYRDFBY-GOSISDBHSA-N 337.471 4.332 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccoc1)C1CCCCC1 74222365 GLTDXIAUFISOFF-CYBMUJFWSA-N 345.443 4.490 0 40 EIAB Cc1ccc(-c2cnc(CNC(=O)Nc3cccnc3Cl)o2)cc1 75539164 QIAZLQFGQZKYGA-UHFFFAOYSA-N 342.786 4.020 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F 89768140 CSXSIZVRBJYVDK-FVQBIDKESA-N 349.421 4.066 0 40 EIAB C[C@H]1CC(Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@H](C)O1 92160924 YTHOLTSEQRFHEO-HOTGVXAUSA-N 345.487 4.462 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(N(C)C)nc2ccccc12 95468983 JWXDEGKHLVHDNH-OAHLLOKOSA-N 333.435 4.134 0 40 EIAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)Nc1cccs1 96104112 ZFUAGLHPJWTFSC-UHFFFAOYSA-N 330.457 4.259 0 40 EIAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(OC(F)F)c1 96404442 MALOSUVOIPQDQK-KPWVOAKYSA-N 328.355 4.437 0 40 EIAB CCCc1noc([C@H](C)Nc2ccc(OC3CCOCC3)c(C)c2)n1 96415090 JYIYKSRGYMODHC-AWEZNQCLSA-N 345.443 4.061 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1C 96659301 PAYPTEWAWUMYIU-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB Cc1cc(C)cc(COC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 97134645 WXJTYFJPHHIKJY-UHFFFAOYSA-N 336.391 4.382 0 40 EIAB COC(=O)c1cc(NCc2ccccc2C(F)(F)F)c(F)cc1F 97205283 YWFFTZFDKUZUHV-UHFFFAOYSA-N 345.267 4.382 0 40 EIAB COCc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103316575 BBVVVQUZVJVLRK-CXTCDGGRSA-N 333.859 4.349 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CCCc2ccccc21 113960446 KTKDAFUORGZEMU-MSOLQXFVSA-N 339.435 4.046 0 40 EIAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(C)cc1C 222654432 NGVKGOTWMQICCW-SFHVURJKSA-N 339.435 4.232 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSc1ccccc1 222978053 REWSDURDOXQKTE-IBGZPJMESA-N 343.492 4.369 0 40 EIAB C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc2c(c1)CCC2 223249613 MYGLHPQPVXFFOC-LBPRGKRZSA-N 331.818 4.388 0 40 EIAB CCOc1ccc(C(=O)NCCSC2CCCC2)cc1Cl 225839888 YASZDXRQAVELHJ-UHFFFAOYSA-N 327.877 4.144 0 40 EIAB COc1cc(N)cc(Cl)c1NC(=O)c1cccc2ccccc12 227146509 IYBRXEYFMZGVJT-UHFFFAOYSA-N 326.783 4.336 0 40 EIAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NC1CCCC1 534582168 LPIQDCWJWKRKLT-UHFFFAOYSA-N 337.345 4.076 0 40 EIAB CCCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)O 585266848 RUEPWABUFAMUQM-MRXNPFEDSA-N 345.830 4.122 0 40 EIAB Cc1cc(C)c2nc(NC(=O)CCOc3ccccc3)sc2c1 189376 IRDBQRGZNLQEOH-UHFFFAOYSA-N 326.421 4.321 0 40 EIAB CC(C)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 200662 DDTWIFBELZQGFY-UHFFFAOYSA-N 341.842 4.276 0 40 EIAB COc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 213251 LLDCPVXDKIWVQP-UHFFFAOYSA-N 349.312 4.376 0 40 EIAB COc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl 374339 MPEKVVQKODQYJT-UHFFFAOYSA-N 327.714 4.202 0 40 EIAB CCOc1ncccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 430444 KXWZITWCSIFDIQ-UHFFFAOYSA-N 333.391 4.476 0 40 EIAB CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O 518494 WSDGNMGDWQSZKD-XIKOKIGWSA-N 346.452 4.474 0 40 EIAB biogenic O=C(O)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)O)c1ccc(Cl)cc1 1668804 BVOHKJFRQYBQQY-OKILXGFUSA-N 339.174 4.030 0 40 EIAB CCCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 2610062 IVXQMUIZIYNXCL-UHFFFAOYSA-N 338.201 4.473 0 40 EIAB CCOc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)OC)cc1 2889607 BKGCXPBHJBRUAF-UHFFFAOYSA-N 347.436 4.195 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)O)cc1 3149236 BACUCHAMDGULTK-UHFFFAOYSA-N 327.361 4.267 0 40 EIAB Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1ccccc1 3212397 UADIATBQGWDGGL-UHFFFAOYSA-N 331.293 4.224 0 40 EIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc2ccccc2c1 3385885 XZOAYOAYBNQQNL-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB COc1ccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cc1 3884664 SONSOTYJHQIJQV-RAXLEYEMSA-N 325.389 4.320 0 40 EIAB C[C@@H]1CCC[C@H](N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)[C@@H]1C 4852013 LXKVABORPCYYLX-VFVRVIDISA-N 333.431 4.359 0 40 EIAB CCCC[C@H](CC)C(=O)N[C@@H](C)CNC(=O)[C@H](CC)CCCC 4894205 NQBVGWKSYOLZMJ-BBWFWOEESA-N 326.525 4.040 0 40 EIAB Brc1ccc(N2N=N[C@H]3[C@@H]4C[C@@H]([C@H]5CCC[C@@H]54)[C@H]32)cc1 4900716 HUFCROBNEVDAJU-KXKVQDCLSA-N 332.245 4.440 0 40 EIAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1 4980777 POPYVTNKYMBXPE-UHFFFAOYSA-N 348.446 4.478 0 40 EIAB Cc1ccc(SCc2nc(N)nc(Nc3ccccc3)n2)c(C)c1 5259985 YGZXTMSUYASZCR-UHFFFAOYSA-N 337.452 4.107 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1CCc1ccccc1 6836559 NDBSWJWLSPJKKK-UHFFFAOYSA-N 349.459 4.453 0 40 EIAB C[C@@H](Sc1ncnc2ccccc12)C(=O)N1c2ccccc2C[C@H]1C 8189366 LWDQCHJUZSWSSA-ZIAGYGMSSA-N 349.459 4.088 0 40 EIAB CCCc1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 8392296 FLFAYORPTJCYPU-UHFFFAOYSA-N 336.848 4.106 0 40 EIAB C[C@@H](NC(=O)NCc1cccnc1)c1ccc(-c2ccccc2)cc1 8780502 JHOWAGHKLRDBQZ-MRXNPFEDSA-N 331.419 4.309 0 40 EIAB Fc1ccccc1OCc1nnc(-c2ccc(Br)cc2)o1 9366124 VJLMGCZHWGABEI-UHFFFAOYSA-N 349.159 4.217 0 40 EIAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(F)cc1 9827842 UOCAFEAGGAVVSF-UHFFFAOYSA-N 348.333 4.436 0 40 EIAB O[C@H](CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1 10340026 ZNDKQGSLKIFYKI-CQSZACIVSA-N 342.489 4.396 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 10448712 SHPMRNIKCULWNN-FAFAAHBOSA-N 343.810 4.002 0 40 EIAB C[S@](=O)Cc1cccc(C(=O)OCc2cccc3ccccc23)c1 10776830 AVZFCWUQDLOKTP-XMMPIXPASA-N 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4.285 0 40 EIAB Fc1ccccc1CNC(=S)Nc1cccc(Br)c1 16942774 JOENRBIEYHMELQ-UHFFFAOYSA-N 339.233 4.075 0 40 EIAB CCCCSc1nc(O)nc2c1nc(SC)n2-c1ccccc1 17298987 HFAJGXAUQSWMIM-UHFFFAOYSA-N 346.481 4.135 0 40 EIAB CN(Cc1c(F)cccc1Cl)[C@@H]1COC[C@H]1c1ccc(F)cc1 19586307 WWZIKWDJPHGBSJ-MAUKXSAKSA-N 337.797 4.233 0 40 EIAB Cc1cccc2c1Sc1ccc(Cl)cc1C[C@H]2N1CCNCC1 19802207 VLXDGXQTILRZDH-QGZVFWFLSA-N 344.911 4.302 0 40 EIAB CC[C@H](NC(=O)CSc1ccc(OC)cc1)c1ccc(OC)cc1 20453225 XVQZJNVUEAIXDU-SFHVURJKSA-N 345.464 4.063 0 40 EIAB Cc1ccc(Cn2nc(C)c(NC(=O)Cc3cccs3)c2C)cc1 21574284 ZRDIWFXVGYXCJL-UHFFFAOYSA-N 339.464 4.099 0 40 EIAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(F)c2)c1 21596224 DGGOQTUNJFJCFX-NSHDSACASA-N 346.427 4.172 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-n3cccc3)c2)cc1 21623761 BRIQDFYMYIESMX-NRFANRHFSA-N 346.430 4.463 0 40 EIAB CCSc1ccccc1C(=O)NCCOc1ccc(C)cc1C 23695128 CACAEHLOBHHPCZ-UHFFFAOYSA-N 329.465 4.224 0 40 EIAB COc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1F 25451247 DICRRPGEUHGNAM-SNVBAGLBSA-N 341.304 4.344 0 40 EIAB COc1cccc2cc([C@@H](C)NC(=O)c3cn(C)c4ccccc34)oc12 25734109 GRMYFVNIOZLOSO-CYBMUJFWSA-N 348.402 4.424 0 40 EIAB CCN(Cc1cccs1)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 25760862 YFYNQYLFYDBOAO-UHFFFAOYSA-N 325.437 4.109 0 40 EIAB C[C@@H](OC(=O)c1cc2ccc(F)cc2s1)C(=O)NC1CCCCC1 26222244 UFPAZZMERULRLM-LLVKDONJSA-N 349.427 4.035 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)n2cnc3ccccc32)cc1 30646755 KPZCOVBRNNGMCO-APWZRJJASA-N 333.435 4.269 0 40 EIAB COC(=O)c1c(O)cccc1/C=C/c1ccc(Br)cc1 35973633 XKGWLQRTXHSORK-VMPITWQZSA-N 333.181 4.112 0 40 EIAB NC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 41127435 CHUAGKDOLOULNN-UHFFFAOYSA-N 328.371 4.190 0 40 EIAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1cc(F)ccc1F 43744447 MZQGVJYAIMSRAX-SECBINFHSA-N 327.277 4.057 0 40 EIAB COc1cc(F)ccc1NC(=O)COc1ccc2ccccc2c1 45442153 KCMXJXRZJYOELH-UHFFFAOYSA-N 325.339 4.005 0 40 EIAB COc1ccc2oc(C)c(C(=O)Nc3cccc(-n4ccnc4)c3)c2c1 46105891 NCJKLVCKPICMRA-UHFFFAOYSA-N 347.374 4.188 0 40 EIAB CCCOc1ccc(NC(=O)OCC(F)(F)F)cc1OCCC 58155011 BIMGBHOBNXTQAG-UHFFFAOYSA-N 335.322 4.375 0 40 EIAB Cc1ccc2cc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)[nH]c2c1 58391939 BRAJNGNCDWVJIY-UHFFFAOYSA-N 334.354 4.053 0 40 EIAB CC(C)(C)c1ncc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cn1 58412280 RLWVQUWDIPEAJO-KGLIPLIRSA-N 329.831 4.170 0 40 EIAB CC(C)[C@H]1COC(C(C)(Cc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1 59275101 BBFBTUSLSAFMKW-QZTJIDSGSA-N 342.483 4.142 0 40 EIAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H]2CCCO2)cc1 61997251 FLBQNKAOQUKFJX-KRWDZBQOSA-N 349.386 4.090 0 40 EIAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(Cl)c1 63790293 XOJMAAPWJWFMGL-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 68560032 QUROJAQEQROXKC-INIZCTEOSA-N 343.452 4.100 0 40 EIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cccc2nccnc12 72314709 JHFAONDMHIXXGJ-LJQANCHMSA-N 344.418 4.026 0 40 EIAB CSc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72403098 XMJFIBBWPYIPRS-HNNXBMFYSA-N 339.420 4.370 0 40 EIAB Oc1ccc(O)c(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)c1 72404101 QJGJCDCFNKWLBQ-UHFFFAOYSA-N 337.766 4.128 0 40 EIAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@@H](c1nccs1)C1CC1 74141769 RGGHJMHFVPSSQQ-JKSUJKDBSA-N 345.443 4.184 0 40 EIAB CSc1nc(C(=O)N[C@H](C)c2cc(C)sc2C)c2ccccn12 84081851 BTECEOWYXYXOJJ-LLVKDONJSA-N 345.493 4.226 0 40 EIAB CCOC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 84801080 YSQQKJNSSLFBLW-GJZGRUSLSA-N 342.266 4.124 0 40 EIAB Cc1cc(C(=O)N2CCC(CSCc3ccco3)CC2)c(C)o1 85472453 ZBBNAZMGBUJKFB-UHFFFAOYSA-N 333.453 4.275 0 40 EIAB CN(Cc1ccc([S@](C)=O)cc1)Cc1cnc(C2CCCC2)s1 93711747 HKCIGBIYVFNCMQ-HSZRJFAPSA-N 348.537 4.170 0 40 EIAB CC(C)c1nc2ccc(NC(=O)NOCc3cccnc3)cc2s1 95467085 DYTJZBVCPHGJMX-UHFFFAOYSA-N 342.424 4.068 0 40 EIAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCC2 96232081 OGEISSLRYKKGKM-UHFFFAOYSA-N 341.889 4.193 0 40 EIAB COc1ccc(C)cc1CNc1cc(C[S@@](C)=O)ccc1Cl 96453610 DVMSXTQGJDHMGJ-QFIPXVFZSA-N 337.872 4.148 0 40 EIAB CC(C)Oc1cccc(CNc2ccc(N3CCOC3=O)cc2)c1 96482747 AYWVKNRJTZFLCV-UHFFFAOYSA-N 326.396 4.043 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 186944832 KWHHXZLVNMDWRM-NRFANRHFSA-N 346.430 4.305 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(C)c(C)c1 219504069 ONUOKXAQXNKTTM-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB CCc1ccc(CCC(=O)n2cc(C(=O)OC)c3ccccc32)cc1 222625949 RAMVASCHOWJXLY-UHFFFAOYSA-N 335.403 4.263 0 40 EIAB C[C@H](NC(=S)Nc1ncc(Cl)cc1Cl)c1ccccc1 223954101 LPIZNLJCZFVOEB-VIFPVBQESA-N 326.252 4.436 0 40 EIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 224222989 RPRDEXMFYCPLRS-MOPGFXCFSA-N 349.459 4.469 0 40 EIAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C)c(Cl)c2)cc1 224984508 KTOHZHLBKHLXEG-UHFFFAOYSA-N 341.885 4.195 0 40 EIAB CCc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 225301301 ZRZZTIMRAYHGJG-INIZCTEOSA-N 347.462 4.293 0 40 EIAB CCOc1ccccc1CCCNC(=O)Cc1ccccc1Cl 225436880 LSEMJNHZSPEEFB-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCNC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496834 UOHYXEZLVGEMCG-UHFFFAOYSA-N 345.446 4.220 0 40 EIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225893638 DHOGOJSVXDDEFA-HXUWFJFHSA-N 344.455 4.413 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c(C)n1 225909120 DPJOOMAMIUDAFP-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB Nc1ccc2nn(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 226305364 BYVDBGGNUJRJPJ-UHFFFAOYSA-N 344.462 4.471 0 40 EIAB CCN1C(=O)/C(=C\c2cccc(Br)c2)c2ccccc21 409122127 ZLLLJJAGNHTBMF-PTNGSMBKSA-N 328.209 4.356 0 40 EIAB Fc1ccc([C@@H]2CC[C@@H]2c2nc(Cn3cnc4ccccc43)no2)cc1 528170441 ZIQATWGBICVHPZ-HOTGVXAUSA-N 348.381 4.268 0 40 EIAB CCOC(=O)CCCC(=O)c1ccc(OCc2ccccc2)cc1 575357825 ULZKXFYUFUPZCO-UHFFFAOYSA-N 326.392 4.182 0 40 EIAB CCOc1nc(Cl)nc(N(C2CCCCC2)C2CCCCC2)n1 354992 RBSQTQSVVPTLFX-UHFFFAOYSA-N 338.883 4.396 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 364375 FYDZUVWJTUBEIL-MRXNPFEDSA-N 345.398 4.324 0 40 EIAB CCSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 422347 RTEQDYSHSQSJFJ-UHFFFAOYSA-N 325.437 4.363 0 40 EIAB COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)O1 430640 FCHDDGGGSLUPKH-QGOAFFKASA-N 329.355 4.193 0 40 EIAB FC(F)Oc1cccc(-c2cc(C(F)(F)F)n3nccc3n2)c1 2796652 YXBCLRPBORLPAJ-UHFFFAOYSA-N 329.228 4.017 0 40 EIAB COc1ccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)cc1 3516654 WEZPNZSMKMLMQK-UHFFFAOYSA-N 346.383 4.185 0 40 EIAB Cc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 4412149 KPARHZFTDYUMLP-UHFFFAOYSA-N 337.448 4.467 0 40 EIAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1C 4778888 QHLIMDAILGLSCR-UHFFFAOYSA-N 337.448 4.424 0 40 EIAB C[C@@H]1[C@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677008 OKEDHTSICXDDKB-NBQKENEESA-N 348.398 4.437 0 40 EIAB Cc1ccc(OCC(=O)NCCOc2cccc3ccccc23)c(C)c1 5750509 FJROLRMDMDETKD-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CN(C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 6356966 BSUZRRRWQJRWOS-NRFANRHFSA-N 339.479 4.358 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)c1 6462831 KCGNANOZSUIYDZ-NSHDSACASA-N 345.449 4.226 0 40 EIAB O=C(CCSc1ccc(F)c(F)c1)N[C@@H]1CCOc2ccccc21 8029516 AOQOCBAVABIMMM-MRXNPFEDSA-N 349.402 4.087 0 40 EIAB C/C=C/c1ccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)c(OC)c1 12374329 FPASBUHPYSLGMT-KBOKABMXSA-N 349.515 4.272 0 40 EIAB Clc1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccncc1 13211786 KDWNJVATKKGWPG-UHFFFAOYSA-N 334.810 4.389 0 40 EIAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13797280 PNAZJOJGELIJIO-UHFFFAOYSA-N 333.844 4.416 0 40 EIAB O=C(Cc1ccc(Br)cc1)Nc1cccc2ncccc12 14791902 KQOLDXMBESRRKN-UHFFFAOYSA-N 341.208 4.179 0 40 EIAB COc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1OC 15655123 RDMFJXORCHEQFN-UHFFFAOYSA-N 347.414 4.223 0 40 EIAB c1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 16480724 RZHKOVKQSQTPPP-UHFFFAOYSA-N 347.414 4.284 0 40 EIAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1F 17067382 LWEHZZPHKAXMIA-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(OC)ccc1OC 20046858 DTULUSXEQRZZJQ-GOSISDBHSA-N 343.423 4.117 0 40 EIAB C[C@@H]1CNc2ccccc2N(Cc2ccc(Br)cc2)C1=O 21793434 NNMQUJGYLNZYAA-GFCCVEGCSA-N 345.240 4.044 0 40 EIAB Cc1ccc(NC(=O)c2cc3c(nc4sccn43)s2)c(C)c1 22739393 WWTDXMJXEGECDO-UHFFFAOYSA-N 327.434 4.480 0 40 EIAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 23025454 TVSODKYEDHMQKV-CYBMUJFWSA-N 341.885 4.236 0 40 EIAB Cc1ccc(CCC2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1 25609794 ZULTVGDVBMIQQM-UHFFFAOYSA-N 347.462 4.356 0 40 EIAB COC(=O)c1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1Cl 26882623 YJNZOHXPJWQPHW-UHFFFAOYSA-N 346.814 4.132 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1Cl 27579723 AQXYUIWCSUQOFR-GOSISDBHSA-N 348.849 4.292 0 40 EIAB Cc1nc2c3c(CC(C)C)csc3nc(NCc3ccco3)n2n1 28286682 HYWCIHCFUZCWTD-UHFFFAOYSA-N 341.440 4.051 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2cc(-c3ccccc3)no2)n1 32913668 SEGQWWZRCJQAKB-UHFFFAOYSA-N 327.409 4.348 0 40 EIAB c1cc2c3c(cccc3c1)-c1nc(SCCN3CCCCC3)nnc1-2 35314950 NSOYOICCNLVIHI-UHFFFAOYSA-N 348.475 4.250 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1C 36620502 WSSNWPMTIGNULX-SFHVURJKSA-N 347.455 4.277 0 40 EIAB CC1(C)CCCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)C1 39743197 OTFCKUQTGTXBQW-UHFFFAOYSA-N 348.918 4.201 0 40 EIAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)N1CCCC1 40070029 PSVDGZQVIXYLCI-UHFFFAOYSA-N 337.139 4.096 0 40 EIAB COCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 40128982 JMWYXZIRQJMHFD-UHFFFAOYSA-N 326.421 4.328 0 40 EIAB CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccccc1Cl 40158497 FWCPBLGWBXHDAP-QGZVFWFLSA-N 342.826 4.436 0 40 EIAB Cc1cc(NC(=O)c2cc3sccc3n2Cc2ccccc2)no1 40806086 QOUZACTZOQJIPS-UHFFFAOYSA-N 337.404 4.300 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 42521516 KAHYRTMFDXJFGJ-KRWDZBQOSA-N 346.430 4.387 0 40 EIAB O=C(Nc1ccccc1Cn1cccn1)N[C@H]1CCCc2ccccc21 44268481 XHFRLXGXZDJDGY-FQEVSTJZSA-N 346.434 4.131 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 44945848 NFDZGYRNXAGZCX-BEFAXECRSA-N 341.451 4.292 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1 48202629 VEGOGVCWFDQYBG-NYYWCZLTSA-N 335.338 4.060 0 40 EIAB Cc1cc(NC(=O)NCCSC2CCCC2)ccc1N1CCCC1 57981363 IYMLWWOULIEUAP-UHFFFAOYSA-N 347.528 4.393 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 60570134 PKBDRVCNCLXIBP-UHFFFAOYSA-N 335.325 4.064 0 40 EIAB CC(C)CNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 60603700 ZDZMDLMARLOCCB-UHFFFAOYSA-N 335.407 4.153 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)SCc1ccccc1 65005338 PCZWZWVWMKLMTF-OAHLLOKOSA-N 331.485 4.341 0 40 EIAB CC(C)CCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 65603583 RAMVZBZVEURLQM-HNNXBMFYSA-N 345.418 4.018 0 40 EIAB CC(C)N(Cc1cccnc1)C(=O)Cc1ccccc1C(F)(F)F 69460907 NVZFWZGVLQOZFI-UHFFFAOYSA-N 336.357 4.080 0 40 EIAB Clc1cc(Cl)cc(-c2nc3ccc(-n4cnnc4)cc3o2)c1 70461392 TVQNWJHDFISBMK-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CCCc1cc(-c2nc(C)c(C(=O)Nc3ccccn3)s2)ccn1 71284763 RGYMTKMVYOIFSS-UHFFFAOYSA-N 338.436 4.113 0 40 EIAB O=C(COc1ccc(Cl)cc1)N(CCC(F)(F)F)C1CCCC1 79055283 SHMDZMCPFDGAIQ-UHFFFAOYSA-N 349.780 4.442 0 40 EIAB CCCn1nccc1NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 84759134 RZEHKICELCSIJK-XLIONFOSSA-N 338.455 4.226 0 40 EIAB CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1ccccc1 85471084 CIFIUKWHRADVGO-BHIFYINESA-N 348.490 4.056 0 40 EIAB CC(C)(C(=O)NCC1(c2ccncc2)CCCCC1)c1cccs1 96011852 YJOJUGNDXBTWOA-UHFFFAOYSA-N 342.508 4.439 0 40 EIAB FC1(F)CCN(Cc2cccs2)C[C@@]12CCN(c1ccccc1)C2 96051096 LMQARNNWBIZAER-GOSISDBHSA-N 348.462 4.486 0 40 EIAB Oc1ccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1Cl 96313703 USXGPHGJKMAIJZ-WQLSENKSSA-N 333.174 4.431 0 40 EIAB C[C@H]1CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C2=C(O)C1 101545539 UNIZIMLURLYACS-HXPMCKFVSA-N 330.391 4.349 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 102067623 KTIYWLNOCNYWMN-IQGAEYHTSA-N 347.414 4.323 0 40 EIAB CC(=O)OC[C@]12CO[C@@H](CCc3ccccc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 105363855 FVFIDPRIGRPKRH-OQZLWFJBSA-N 342.479 4.416 0 40 EIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1cccc(C)c1 224380711 OBNXCVGEFPHCDL-UHFFFAOYSA-N 341.451 4.359 0 40 EIAB Cc1cc(C)c(C(=O)NCc2ccccc2-n2ccnc2C)cc1C 225646277 OWTZJFLUJABUMS-UHFFFAOYSA-N 333.435 4.036 0 40 EIAB CCOc1ccc(CCCNC(=O)c2cc(C)c(C)cc2C)cc1 225649734 NULMSMIWHNIQHP-UHFFFAOYSA-N 325.452 4.373 0 40 EIAB CO[C@H](CNCc1c[nH]nc1-c1cccs1)c1ccc(Cl)cc1 525195864 TXKGXDYNKSJYGY-OAHLLOKOSA-N 347.871 4.269 0 40 EIAB COc1ccc(-c2cc(CNc3nc4cc(C)ccc4o3)on2)cc1 1640139486 FGHXFFQRNGVJKO-UHFFFAOYSA-N 335.363 4.412 0 40 EIAB CCc1nccn1CC1CN(c2nc3c(C)c(Cl)ccc3s2)C1 2087148610 PHAAAOKHHNGJJR-UHFFFAOYSA-N 346.887 4.153 0 40 EIAB CCOC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc2c1CCC2 244050 XHTALALPUAJWIA-UHFFFAOYSA-N 343.448 4.283 0 40 EIAB CCC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267985 NHMCUUWCWNYGQI-KXBFYZLASA-N 337.419 4.428 0 40 EIAB COc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1 291658 CRGVYGCCQQRDFF-UHFFFAOYSA-N 336.313 4.143 0 40 EIAB CC(=O)c1sc2ccccc2c1OC(=O)COc1ccccc1 503483 HQCDUKZEKLPOHZ-UHFFFAOYSA-N 326.373 4.088 0 40 EIAB Clc1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1 523939 KGFJTKBXBLBONT-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)ccc1OCC(C)C 575112 BRQCSXIBHBSQFY-GZTJUZNOSA-N 337.419 4.247 0 40 EIAB O=S(=O)(Nc1cccc2ncccc12)c1ccc2ccccc2c1 810236 HVCQSFCIOSQUPM-UHFFFAOYSA-N 334.400 4.189 0 40 EIAB C[C@@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 3455884 NAOBXQQJEIURCD-HKUYNNGSSA-N 340.467 4.117 0 40 EIAB S=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccccc1 4059415 MYTFHYVBHDSQPT-IBGZPJMESA-N 333.460 4.290 0 40 EIAB Oc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1 4733451 BXWVRQMBULSLOU-UHFFFAOYSA-N 336.782 4.499 0 40 EIAB CCn1c(CNC(=O)COc2ccc(Cl)cc2)cc2ccccc21 4973475 YWFABODMTFMFCS-UHFFFAOYSA-N 342.826 4.010 0 40 EIAB C[C@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 4998110 IHSWTDAQYKMNDX-NSHDSACASA-N 333.819 4.148 0 40 EIAB Cc1ccccc1-c1noc(COc2ccc3c(C)cc(=O)oc3c2)n1 5292806 RKUFLEPJIUHEQU-UHFFFAOYSA-N 348.358 4.039 0 40 EIAB Cc1cc(C)cc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)c1 6814436 RZPJFOYJSDJYPL-UHFFFAOYSA-N 346.438 4.128 0 40 EIAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccnn1C1CCCC1 7687973 BSYGUQCMBRSKAK-UHFFFAOYSA-N 341.480 4.218 0 40 EIAB Cc1cc(-c2csc(-c3ccsc3)n2)c(C)n1-c1ncn[nH]1 9252766 CSYLTZAHDGPXFI-UHFFFAOYSA-N 327.438 4.064 0 40 EIAB CCc1ccc2c(c1)c(C)c(C(=O)NCCc1cccs1)n2C 9264139 RGSDQTRYNFBTOP-UHFFFAOYSA-N 326.465 4.083 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 9548031 OEMIEJGRCQUFGF-HIFRSBDPSA-N 327.424 4.085 0 40 EIAB CC(C)C(=O)N1CCCc2cc(NC(=O)C3CCCCC3)ccc21 10220728 MDMIPCNFEUMDBA-UHFFFAOYSA-N 328.456 4.141 0 40 EIAB C[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10971703 PRGQCCATJHUWTI-RNCFNFMXSA-N 340.370 4.347 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C 11613718 AGLWEYOBKMEFMP-UHFFFAOYSA-N 333.453 4.120 0 40 EIAB COc1cccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 12764934 VRPBHGWXUFHMPL-HSZRJFAPSA-N 345.442 4.452 0 40 EIAB COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 13228413 PNDYPYPWXTWCTA-MRXNPFEDSA-N 341.370 4.215 0 40 EIAB COc1ccc(CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 14181746 AGIMNNNYPQSJQB-OAHLLOKOSA-N 349.430 4.277 0 40 EIAB CC(=O)Nc1ccc(OC(=O)Cc2coc3c(C)c(C)ccc23)cc1 14627821 LEQVPOQRBKOPHH-UHFFFAOYSA-N 337.375 4.156 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20723606 CUNDRAFVFCTRNP-RMKNXTFCSA-N 336.822 4.419 0 40 EIAB biogenic CCc1nc2ccc(NC(=O)c3ccc(OC)c(C)c3)cc2s1 22254874 IKRUPCQGCODDJB-UHFFFAOYSA-N 326.421 4.428 0 40 EIAB Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)no1 23081062 XDVGKFLCOXBGIJ-OAHLLOKOSA-N 331.372 4.095 0 40 EIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc2ccccc2n1 23175339 HUKYAHKUBJIQDA-HXUWFJFHSA-N 333.435 4.331 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)N(C1=CCCCC1)C1CC1 24658853 AIZCUQHSJIIOLU-UHFFFAOYSA-N 327.453 4.104 0 40 EIAB OC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 26522507 QNOJLRIMRWPNKS-HSZRJFAPSA-N 343.470 4.445 0 40 EIAB COc1cccc(-c2nc(C(=O)OC3CCCCC3)cs2)c1OC 29460854 BDMGATHWJIKSBB-UHFFFAOYSA-N 347.436 4.317 0 40 EIAB c1cncc(COc2ccc(CN[C@@H]3CCOc4ccccc43)cc2)c1 30545248 IGOYFWCTVJTUJA-OAQYLSRUSA-N 346.430 4.274 0 40 EIAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccco1 32610491 HIKSZTJTTDAGLH-UHFFFAOYSA-N 349.321 4.388 0 40 EIAB COc1ccc(SCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 32845716 ZVORNESDMIEOQW-UHFFFAOYSA-N 345.508 4.262 0 40 EIAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 38566793 BDBZSKZKXMUYMA-AWEZNQCLSA-N 330.815 4.370 0 40 EIAB C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nc3ccccc3o2)c1 41127619 YHXLRWARDBUPGC-HNNXBMFYSA-N 334.419 4.438 0 40 EIAB O=C(NCc1ccccc1Cl)Nc1cccc(NC(=O)C2CC2)c1 44103431 OQWPURYGFWUKGA-UHFFFAOYSA-N 343.814 4.010 0 40 EIAB O=C(c1ccccc1F)N(Cc1ccsc1)Cc1ccccn1 44445937 VUERZAXXMYYVJG-UHFFFAOYSA-N 326.396 4.125 0 40 EIAB Cc1ccsc1CN(C)C(=O)NCc1nc2ccccc2s1 44892627 IZRWKDWUCCUPSV-UHFFFAOYSA-N 331.466 4.008 0 40 EIAB CC[C@@H](CNC(=O)Nc1cc(OC)ccc1OC)c1ccccc1 48331911 CAKOZQNDDIULEQ-AWEZNQCLSA-N 328.412 4.019 0 40 EIAB C[C@@H](SCc1ccc(F)cc1Br)C(=O)NC(C)(C)C 48406628 JIWWDSCBEKQSSS-SECBINFHSA-N 348.281 4.125 0 40 EIAB CCOC(=O)Nc1cccc(C(=O)N2CCCCc3ccccc32)c1 49726651 CDIBABRHBPTHNP-UHFFFAOYSA-N 338.407 4.238 0 40 EIAB O=C(Nc1ncccc1O)c1cc2ccccc2n1Cc1ccccc1 58377854 WHNWVDVJPRHZPT-UHFFFAOYSA-N 343.386 4.043 0 40 EIAB CCCn1cc(C(=O)N2CCC(n3cccc3)CC2)c2ccccc21 58393656 ZRMFDZXBBUSRLU-UHFFFAOYSA-N 335.451 4.330 0 40 EIAB CC(C)(C)c1ncc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cn1 65488710 HYSRIEIMEPHPIS-KRWDZBQOSA-N 338.455 4.013 0 40 EIAB CC(C)Oc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1cccnc1 67295349 ZEHVOXSTPGNRCF-CYBMUJFWSA-N 331.391 4.233 0 40 EIAB CCc1nc(CCNC(=O)c2ccccc2C(F)(F)F)sc1C 69386418 WQRZQBNJTFRFCA-UHFFFAOYSA-N 342.386 4.005 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 71795634 GQCDVTWUJMICHB-UHFFFAOYSA-N 345.296 4.113 0 40 EIAB O=S(=O)(c1ccccc1)c1cnc2cc(Cl)ccc2c1Cl 72329790 LEGBWKJTKHUJRE-UHFFFAOYSA-N 338.215 4.374 0 40 EIAB O=C(NCc1cccc(F)c1)c1ccc(Sc2ccccn2)cc1 84613291 ADNPNVAPZDNPBP-UHFFFAOYSA-N 338.407 4.302 0 40 EIAB c1csc(-c2nc(COc3ccccc3-c3nc[nH]n3)cs2)c1 89821233 IFLGMETWNZQGCC-UHFFFAOYSA-N 340.433 4.236 0 40 EIAB O=C(Nc1ccccc1)Nc1nnc(Cc2c[nH]c3ccccc23)s1 95116108 BXFXPWRSQQEXPE-UHFFFAOYSA-N 349.419 4.254 0 40 EIAB C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(N2CCSCC2)cc1 96435211 KRVULMFQLDMECL-CQSZACIVSA-N 345.468 4.058 0 40 EIAB CC(C)N(CC(F)(F)F)C(=O)c1ccc(-c2cscn2)cc1 96461555 FOKJBPOYCPNCNV-UHFFFAOYSA-N 328.359 4.223 0 40 EIAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cc(Cl)ccc2F)CCC1 102747421 IDZPWXQCOOPRBD-CYBMUJFWSA-N 334.738 4.097 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 113969924 CSUSLHBQIKKABB-IBGZPJMESA-N 341.451 4.176 0 40 EIAB CC(C)c1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1 218960881 USEFUOCKPYFQQF-UHFFFAOYSA-N 329.415 4.077 0 40 EIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222801635 FIJNVFYUXMAGJX-RTBURBONSA-N 349.459 4.334 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)NCCSC1CCCCC1 223195499 XWMARVMBQZETFO-UHFFFAOYSA-N 347.524 4.126 0 40 EIAB COc1ccccc1CCCNC(=S)Nc1ccccc1Cl 225549153 XMPNOGPKKUAEEH-UHFFFAOYSA-N 334.872 4.268 0 40 EIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(Cl)cc1 409376264 WMXMVXOKOOFBMF-CQSZACIVSA-N 334.828 4.108 0 40 EIAB CCOc1ccc(Br)cc1-c1nc(O)c2ccccc2n1 575410925 NCEJTTSOEWRJRF-UHFFFAOYSA-N 345.196 4.164 0 40 EIAB Clc1ccccc1Oc1ccc(I)cn1 685937774 QKIAWXNVEXTHGC-UHFFFAOYSA-N 331.540 4.132 0 40 EIAB Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2449915 NFAGLFGAYQPTCL-UHFFFAOYSA-N 346.459 4.475 0 40 EIAB CCOC(=O)c1cccc(C(=O)CCc2ccc(SC)cc2)c1 2516652 JAEAMUFMKGHQCR-UHFFFAOYSA-N 328.433 4.401 0 40 EIAB CC[C@@]1(C)C[C@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 3147627 HPAWIRFVASVWBY-SFTDATJTSA-N 329.484 4.321 0 40 EIAB Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2)oc2ccccc12 3283834 LBDWEAZNATYYMV-UHFFFAOYSA-N 328.751 4.434 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 3415286 ZEZBVVOFRLCJGN-HNNXBMFYSA-N 339.313 4.381 0 40 EIAB COc1ccc(-c2cnc(NCc3ccccc3Cl)n2C)cc1 4678615 ZOCVIXUBTBSUFC-UHFFFAOYSA-N 327.815 4.361 0 40 EIAB CC[n+]1c(/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc2ccccc21 4937197 DAIZHFWOUIAZCB-FMIVXFBMSA-N 348.422 4.252 0 40 EIAB CCn1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2C)c1C 5310495 GGLVBCDPDRMNCE-UHFFFAOYSA-N 339.391 4.219 0 40 EIAB CCOc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376245 TVSHBLAHDKIKIE-YBEGLDIGSA-N 341.388 4.032 0 40 EIAB CCc1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 5484650 YWFZMDGJPXXIDW-UHFFFAOYSA-N 335.403 4.274 0 40 EIAB Cc1cc(-n2cnc3ccccc32)n2ncc(-c3ccccc3)c2n1 5515995 ZYXLKNRRNRAXPC-UHFFFAOYSA-N 325.375 4.044 0 40 EIAB CC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 6116583 AZUYEPLGNXSTQM-CYBMUJFWSA-N 348.402 4.159 0 40 EIAB Cc1ccc(F)cc1NC(=O)Cc1csc(-c2ccccc2)n1 6388801 DHEYEUPQCZVVHY-UHFFFAOYSA-N 326.396 4.439 0 40 EIAB COCc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2ccccc12 6508598 DVKBEAFFVHZRMJ-UHFFFAOYSA-N 342.420 4.167 0 40 EIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)oc2c(Cl)cccc12 6608946 JMOGGVIWCLTQHU-AWEZNQCLSA-N 346.814 4.020 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(F)cc1 8133103 KTPZNYDMNJDXOS-UHFFFAOYSA-N 327.378 4.057 0 40 EIAB O=C1CCCN1c1ccc(-c2csc(NC3CCCC3)n2)cc1 8316250 DIVAGMCHXAJOCN-UHFFFAOYSA-N 327.453 4.291 0 40 EIAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OCC 8325880 SMLJGOJRBRHGKL-LLVKDONJSA-N 330.266 4.135 0 40 EIAB COc1cc2c(cc1/C=C/C(=O)Nc1ccc(F)cc1C)O[C@H](C)C2 8327810 QGYUIMKCWCJBNB-WXJAXGNASA-N 341.382 4.118 0 40 EIAB Cc1nc(NC2CCC(O)CC2)c2c(-c3ccccc3)csc2n1 8395228 MEEVVQAFKBQOGB-UHFFFAOYSA-N 339.464 4.382 0 40 EIAB CC(C)c1ccc([C@@H](NC(=O)CSc2nncs2)C(C)C)cc1 8505437 SQWWUAYPZYUYBK-INIZCTEOSA-N 349.525 4.267 0 40 EIAB Cc1ccc(OC[C@H](O)CSc2ccccn2)c(C(C)(C)C)c1 11692580 GLNXCSFNGJPTTM-HNNXBMFYSA-N 331.481 4.220 0 40 EIAB COc1cccc([C@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)c1 12469401 NDMGZDZLWNUWEX-IAGOWNOFSA-N 340.814 4.086 0 40 EIAB COc1ccc(Cl)cc1NCc1cc2cc(C)c(C)cc2[nH]c1=O 12493417 HIGCLNXNLWRODZ-UHFFFAOYSA-N 342.826 4.419 0 40 EIAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c1 12761942 ICBWORURVQOCTG-QHSLDKKCSA-N 337.419 4.081 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(F)cc1Cl 12855226 GJUNWQFZNPOTSP-UHFFFAOYSA-N 343.785 4.441 0 40 EIAB COc1ccc2c(CC(=O)OCc3ccccc3Cl)coc2c1 12856475 DJJSLBBUUPYFTQ-UHFFFAOYSA-N 330.767 4.381 0 40 EIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@@H](O)CC1(CCCCC1)O2 12892898 IEBAMPNFBMIYQO-KRWDZBQOSA-N 340.419 4.109 0 40 EIAB biogenic Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 12992246 RWAKTFQPDLSFNY-NSHDSACASA-N 341.411 4.144 0 40 EIAB O=C(c1ccccc1)C1CCN(Cc2cccc3cccnc23)CC1 14814049 YSFDNDMOKKAYAL-UHFFFAOYSA-N 330.431 4.330 0 40 EIAB Cc1csc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1 18078979 BZFUYZVMFKBRCO-UHFFFAOYSA-N 333.413 4.051 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 20104845 PSDGQJSENYSDHK-JXFKEZNVSA-N 341.451 4.347 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)O)cc1 20145271 AMRSWTATOGYFBT-ACCUITESSA-N 333.343 4.297 0 40 EIAB Cc1ccc(-c2cc(C(=O)O)n3ncc(-c4ccccc4)c3n2)cc1 20605750 WQOCBBGUAAWVOR-UHFFFAOYSA-N 329.359 4.070 0 40 EIAB Cc1cccc2sc(NC(=O)[C@H]3Cc4ccccc4S3)nc12 21447401 AMTWYBTYIJDXET-CQSZACIVSA-N 326.446 4.260 0 40 EIAB Fc1ccc(-c2noc(CN3CCC[C@@H]3Cc3ccccc3)n2)cc1 25358823 IPWSEECHASZGCW-GOSISDBHSA-N 337.398 4.083 0 40 EIAB O=C(CCN(Cc1ccccc1)C1CC1)Nc1ccccc1Cl 26918467 QAQYDZCQVMEQPB-UHFFFAOYSA-N 328.843 4.333 0 40 EIAB CCCCN(CC(F)(F)F)C(=O)CCc1c[nH]c2ccccc12 32915540 XUFMUXFGPVXMPO-UHFFFAOYSA-N 326.362 4.292 0 40 EIAB Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 33040099 FDAGOXUGRCZJLJ-OLZOCXBDSA-N 334.822 4.465 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1 36394163 GARCNQIMLDEDLE-MFKMUULPSA-N 346.805 4.048 0 40 EIAB C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nnc(-c2ccccc2)o1 44874346 MYLXUTASRANYBG-CYBMUJFWSA-N 337.379 4.071 0 40 EIAB O=C(Cc1csc(-c2ccco2)n1)NCc1ccc2ccccc2c1 45202304 BCUVMCDOAHQSLI-UHFFFAOYSA-N 348.427 4.415 0 40 EIAB CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccoc1 47277671 FDYHCTQKWOELLG-UHFFFAOYSA-N 337.423 4.155 0 40 EIAB Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c(F)c1 47327808 SZDUCQBETSSRQU-UHFFFAOYSA-N 343.324 4.357 0 40 EIAB Cc1nn(C(C)C)c(C)c1CN(Cc1ccccn1)Cc1ccco1 56701212 OJYRFRLKLWRNKP-UHFFFAOYSA-N 338.455 4.271 0 40 EIAB COc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(C)C)cs1 58343928 LTBWPKNNBJGEIP-HNNXBMFYSA-N 330.453 4.079 0 40 EIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cccnc1 63974571 LBULIDRTPAAOOI-UHFFFAOYSA-N 332.407 4.019 0 40 EIAB Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 65553904 MXUQHLIKJYKOKK-UHFFFAOYSA-N 344.754 4.339 0 40 EIAB COc1ccccc1[C@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2s1 65593192 VYOBOOWCSCHZDG-ZIAGYGMSSA-N 338.432 4.071 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)c1ccccc1Cl 69621683 HGYLXANROCDRIE-UHFFFAOYSA-N 349.862 4.064 0 40 EIAB Cc1nnc([C@@H](C)Nc2cccc(COc3cccc(F)c3)c2)o1 71902455 UTKMMVNWACZAFT-GFCCVEGCSA-N 327.359 4.269 0 40 EIAB Cc1csc(C2(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CCC2)n1 71908913 CGSIUECTSIUKJV-NWDGAFQWSA-N 346.418 4.316 0 40 EIAB CC[C@H](NC(=O)N[C@H](C)c1c(C)noc1C)c1cc(F)ccc1F 76019955 UQVGDOZWQYWLFB-PSLIRLAXSA-N 337.370 4.081 0 40 EIAB CSCCCCNC(=O)N(C)CCc1cccc2ccccc12 77793100 PHFPXQCVBYPUBB-UHFFFAOYSA-N 330.497 4.167 0 40 EIAB Cc1cc(-c2csc(NC(=O)c3cccc(N(C)C)c3)n2)c(C)o1 84081701 BIARLASMBRKHMT-UHFFFAOYSA-N 341.436 4.338 0 40 EIAB Cc1cnc(CCNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)s1 86424376 BJVYNHNXFHRYSY-CYBMUJFWSA-N 347.459 4.068 0 40 EIAB CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccccc2OC(F)F)CCO1 95465855 IQCOPHOTZXREMT-BBRMVZONSA-N 341.398 4.002 0 40 EIAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2cccs2)C1=O 95960085 KALYSRFXWNKNEU-CQSZACIVSA-N 349.452 4.201 0 40 EIAB O[C@H](C1CCN([C@@H]2CCCCc3ccccc32)CC1)C(F)(F)F 95968377 JCCCIRUULSLXLX-IAGOWNOFSA-N 327.390 4.089 0 40 EIAB CC[C@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1cccs1 96474153 MPPUJKYAEABUDZ-STQMWFEESA-N 336.482 4.044 0 40 EIAB COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1O 100062362 PKAIECBWQZFYRP-AQSJGWBFSA-N 330.424 4.172 0 40 EIAB biogenic,in-vitro CSc1nc2sc3c(c2c(=N)n1Cc1ccccc1)CCCC3 100684709 HJDIQOIJSYDEGW-UHFFFAOYSA-N 341.505 4.226 0 40 EIAB CSc1nc2n(n1)[C@H](c1sccc1C)C1=C(O)C[C@@H](C)CC1=N2 102710904 SITXGLJXAUQYLU-SDBXPKJASA-N 346.481 4.287 0 40 EIAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)Nc1ccccc1 207973189 NHIMIDICWXCKAG-SFHVURJKSA-N 338.432 4.152 0 40 EIAB C[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(F)cc1 222734287 YQVVDCNGQNPMGS-LSDHHAIUSA-N 341.426 4.349 0 40 EIAB CCOc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1 222798156 SMXXEQFPXZIROS-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)c(C)c1 223517458 LFGHNJSMGJOMEI-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB CC(C)CSc1nnc(NC(=O)c2cc3ccccc3o2)s1 223904518 JRUSKOVODPUJGO-UHFFFAOYSA-N 333.438 4.285 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225894355 OUVHCKBDKCNJOL-LJQANCHMSA-N 336.476 4.349 0 40 EIAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(OC(C)C)c1 226261601 KCFUUPVKGMSMGD-UHFFFAOYSA-N 341.455 4.155 0 40 EIAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(F)c3)oc2c1 226271013 YNCXAEPMRJSDEG-UHFFFAOYSA-N 338.260 4.159 0 40 EIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 257289939 QAWAAYAQVSOSIC-PZBVGEIHSA-N 345.458 4.234 0 40 EIAB O=C(CCc1ccccc1F)NCc1cc(-c2ccoc2)cs1 1775969873 PSDJLOLCHXMKSR-UHFFFAOYSA-N 329.396 4.396 0 40 EIAB Clc1ccc(OCc2ccccc2)c(CNC[C@H]2CCCO2)c1 360117 VBMPONWIUCXWGW-GOSISDBHSA-N 331.843 4.188 0 40 EIAB Cn1nc(-c2ccccc2)c2c(=S)n(Cc3ccccc3)ncc21 385727 PLYDHVSNRRBSPF-UHFFFAOYSA-N 332.432 4.215 0 40 EIAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 483863 QJNJXXQOYUYPMO-OAQYLSRUSA-N 344.414 4.462 0 40 EIAB COc1ccc2[nH]c3c(NCc4ccccc4Cl)ncnc3c2c1 542465 LDGFXWVREJVJQI-UHFFFAOYSA-N 338.798 4.385 0 40 EIAB O=C(Oc1cccc(/C=C2/SC(=S)N=C2O)c1)c1ccccc1 1001027 NVCYPDIMHXGUSQ-GXDHUFHOSA-N 341.413 4.235 0 40 EIAB CC1=C(C)C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C(=O)O)C1 2801652 CAXMIUKDTMCXDN-NEPJUHHUSA-N 342.222 4.379 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 3322928 FXXUOTSASFRWTP-UHFFFAOYSA-N 325.437 4.395 0 40 EIAB Cc1cc(-n2c(C)cc(C(=O)COc3cccc(Cl)c3)c2C)no1 3516084 AUGAULJZFBLKLL-UHFFFAOYSA-N 344.798 4.306 0 40 EIAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 3549243 HZPCVIORPPJIRI-KRWDZBQOSA-N 344.842 4.042 0 40 EIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NC1CCCCC1 3606461 PTNPKBVSURPPCK-UHFFFAOYSA-N 327.424 4.139 0 40 EIAB COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1OC 4479324 WMWUBQUWQSSRBS-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB O=C(Nc1ccc(Cl)cn1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4492325 LCCCEXQBOUOSBL-CHWSQXEVSA-N 341.625 4.261 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)c1nn(CC)c(=O)c2ccccc12 5509702 GYTKSWXCRSOTRY-AWEZNQCLSA-N 349.434 4.182 0 40 EIAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1cc(Cl)cc(Cl)c1 5601652 RHDNSFDDKNURNV-UHFFFAOYSA-N 342.247 4.283 0 40 EIAB COc1cc(C)c(NC(=O)CSc2cc(C)ccc2C)cc1OC 6203958 PXOPVQUTRGKGAQ-UHFFFAOYSA-N 345.464 4.360 0 40 EIAB CN1CCC(O[C@@H]2c3ccccc3CSc3ccccc32)CC1 6638539 YOAORJGYOFRIRQ-HXUWFJFHSA-N 325.477 4.493 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 6928984 IXTYSNYUEFIIOH-INIZCTEOSA-N 341.426 4.074 0 40 EIAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)c1ccc(Cl)cc1 7442245 KJFOLSDEPLKKPU-JTQLQIEISA-N 347.827 4.092 0 40 EIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1C 7915254 VMVJXCJDWLQDBN-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 8232018 DZHMGVIBSZLBTP-HNNXBMFYSA-N 325.437 4.444 0 40 EIAB COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12 10209964 UMXWBEMOSAWGBQ-UHFFFAOYSA-N 329.302 4.290 0 40 EIAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F 12809658 WRNMDDVBKGRLBU-SGTLLEGYSA-N 330.378 4.033 0 40 EIAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3ccccc3Cl)n2)c1 13495289 NMFHPCKIUNPENK-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 13841022 KQQRCWQWKYNDPJ-UHFFFAOYSA-N 348.855 4.003 0 40 EIAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 15836296 AYFYKWQUQZUPOA-INIZCTEOSA-N 335.494 4.397 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1 19736542 UMVSLMOLLJOWRX-UHFFFAOYSA-N 332.831 4.237 0 40 EIAB CCCc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 22254835 XKJGBHSCWSCLPV-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB COc1cc(OC)c(CN[C@H](C)c2cc(C)ccc2C)c(OC)c1 22786425 MGAUGHKHDYPOKZ-OAHLLOKOSA-N 329.440 4.180 0 40 EIAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 23975967 KGIQVLXKHJECNL-SNVBAGLBSA-N 325.742 4.432 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1Cl 32585745 WAOHHPMTGIAYHM-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2cc(Cl)ccc21 32607815 GPTZSKJCYAVBIT-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB C[C@H]1CN(C(=O)/C=C/c2sc3ccccc3c2Cl)C[C@@H](C)O1 32740532 ZZRNHZDSOUCLHD-GRPTYIHUSA-N 335.856 4.204 0 40 EIAB Cc1cc(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)c(C)o1 32769498 JEASLVHEAAUUKX-UHFFFAOYSA-N 340.467 4.058 0 40 EIAB CN(C(=O)c1ccn(-c2ccccc2)n1)c1ccc2ccccc2c1 32922814 YVOPTBBDMDTPLQ-UHFFFAOYSA-N 327.387 4.302 0 40 EIAB COc1ccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1 33809351 GTDGARFZPCTYLK-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB Cc1nc2cc(-c3cccc(F)c3)nn2c(NCc2cccnc2)c1C 35315169 BTMDBTWXDLOLAG-UHFFFAOYSA-N 347.397 4.159 0 40 EIAB CC1=NN(c2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)CC1 40130903 ZXFQHJUZYAOBDR-UHFFFAOYSA-N 330.391 4.073 0 40 EIAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccncc2)ccc1C(C)C 40141043 VMEPJMSFBRYCRM-HZPDHXFCSA-N 326.440 4.158 0 40 EIAB Cc1ccc([C@H](C)NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)o1 43720384 LWCCSFZLLTWRBO-LSDHHAIUSA-N 348.468 4.101 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(OC)cc1 44905171 QMKCHAQWWGZHOE-QAPCUYQASA-N 327.424 4.038 0 40 EIAB O=C(Nc1ccccn1)c1ccc2ccn(Cc3ccccc3)c2c1 44921457 VSMSIMJBKVFEOX-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB C[C@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@@H]1c1cccs1 64132176 XNCGDRCCWPSQQK-GOEBONIOSA-N 347.480 4.234 0 40 EIAB CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(C)ccc21 64960965 LZRNJJUFDLOLKG-UHFFFAOYSA-N 345.402 4.355 0 40 EIAB C[C@@H]1CCc2ccccc2N1C(=O)CNc1ccccc1OC(F)F 69351126 MVRPDHOSBIUMMZ-CYBMUJFWSA-N 346.377 4.068 0 40 EIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(COC)n1 71844370 JEVLESHCHHKJEU-NVXWUHKLSA-N 344.480 4.088 0 40 EIAB Cc1cc(CNC(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)no1 76070503 HWKTWWYVKBFYEE-UHFFFAOYSA-N 340.383 4.083 0 40 EIAB Cc1oc(C)c(C(=O)NC[C@@H](C)c2nc3ccccc3s2)c1C 78714320 KFPGQZUWRJXMAR-SNVBAGLBSA-N 328.437 4.348 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c3ncccc23)cc1 83943870 JKQGRMRZBPRLLU-IBGZPJMESA-N 349.434 4.329 0 40 EIAB CSc1ccsc1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO 89761818 LLEYSCPGRBJPFG-CQSZACIVSA-N 349.521 4.002 0 40 EIAB CC[C@H](C)N(C)C(=O)c1cc(Br)cc(OC(C)C)c1 95962989 ZKYUXADZMICNIX-NSHDSACASA-N 328.250 4.107 0 40 EIAB O=c1c(Cc2ccccc2)c(O)c2ccccc2n1-c1ccccc1 100249882 XYZVKUSTVPKIKZ-UHFFFAOYSA-N 327.383 4.287 0 40 EIAB biogenic,in-vitro CCCCOC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 100514415 BQKMYYABSIILOE-LKCPLBJASA-N 349.430 4.357 0 40 EIAB C[C@@]12CCC3=NCCCN3C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 104182866 MCRLPGBGURQZIL-AQUCMXFHSA-N 342.527 4.372 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219360369 KLMIXTNHNWXCMG-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222902987 RUPCMOXWLNTRFG-VUSFMPOISA-N 335.447 4.465 0 40 EIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224429544 JHNUYGWGTCGBBR-AWEZNQCLSA-N 347.414 4.353 0 40 EIAB Cc1ccc(NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225455580 YEBLFZSGCXLEAH-UHFFFAOYSA-N 339.464 4.239 0 40 EIAB O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1F 225762395 NYWGSUMSOYYWET-UHFFFAOYSA-N 327.384 4.271 0 40 EIAB Cc1cccc(CSCCNC(=O)c2ccc(Cl)cc2F)c1 225824542 ZTNQLBTURKXAKY-UHFFFAOYSA-N 337.847 4.451 0 40 EIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c3c(cccc13)CC2 226862249 ZTCWDJUQWALMDM-UHFFFAOYSA-N 343.835 4.393 0 40 EIAB O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCC[C@H]1C1CCC1 252483656 FGPFADCNRCOFKH-AWEZNQCLSA-N 347.365 4.079 0 40 EIAB CCCCc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1 408713250 PQTFWLGIPOIKSP-UHFFFAOYSA-N 334.419 4.133 0 40 EIAB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nccnc2c1 408734841 FXRXKKQMQZICCY-UHFFFAOYSA-N 336.464 4.239 0 40 EIAB Cn1ccc2cc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)ccc21 604419402 JTXUAVDTJDOYDX-LJQANCHMSA-N 343.430 4.467 0 40 EIAB COc1cncc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 1531428432 XNHDOFSNDNJBOF-UHFFFAOYSA-N 330.815 4.194 0 40 EIAB Cc1ccc([C@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1 79118 OMSYYHWJVWFEGT-OAHLLOKOSA-N 339.395 4.270 0 40 EIAB O=C(O)Cc1sc(Nc2ccc(F)cc2)nc1-c1ccccc1 254873 MUJPECWUVFNOIW-UHFFFAOYSA-N 328.368 4.320 0 40 EIAB COc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1 349826 HRDLVCZOLSBMPR-UHFFFAOYSA-N 340.206 4.328 0 40 EIAB Cc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)no1 413185 UJNYHWONFGTCIQ-UHFFFAOYSA-N 341.436 4.187 0 40 EIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1 427359 QMNGIYVNWZSCCQ-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB CCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 483758 FPARACPOUNLZSN-JTQLQIEISA-N 339.457 4.254 0 40 EIAB O=C(COc1ccccc1Cl)Nc1ccc(Br)cc1 486859 ZMWFBUMLSOGNIP-UHFFFAOYSA-N 340.604 4.120 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCC1 569761 OCICDXUGMJSOIN-UHFFFAOYSA-N 344.842 4.266 0 40 EIAB c1ccc(N2COc3cc4c(cc3C2)OCN(c2ccccc2)C4)cc1 1680959 FZGKSARUCNLIQX-UHFFFAOYSA-N 344.414 4.400 0 40 EIAB Cc1cccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1C 1993404 YXLIAZUQHKSWAY-UHFFFAOYSA-N 339.435 4.396 0 40 EIAB O=C(CCCSc1nc2ccccc2s1)NCc1ccco1 2626236 SDMDXJNBUSHAKB-UHFFFAOYSA-N 332.450 4.078 0 40 EIAB Cc1cc(C)c(C(=O)CSc2nncn2-c2ccccc2)cc1C 2631928 QCMBZNJVVOKAPJ-UHFFFAOYSA-N 337.448 4.168 0 40 EIAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 3245792 HEXMVSYYYIISCM-JTQLQIEISA-N 344.238 4.444 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)COc1ncnc2sccc12 3316648 HXQVWOHHLILIAS-LBPRGKRZSA-N 341.436 4.222 0 40 EIAB Cc1ccc(CSC2=NCCN2C(=O)c2ccccc2Cl)cc1 4120375 XOFDJLPGXVUNRI-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB COc1cccc(-c2ccc(SCC(=O)c3ccccc3)nn2)c1 4356537 QXWUFQFUNPNZCO-UHFFFAOYSA-N 336.416 4.127 0 40 EIAB COc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1 5346273 DICKJKPSVCOAAT-KPKJPENVSA-N 334.404 4.032 0 40 EIAB CC1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 5563006 NXVWDLFQVKWKCT-UHFFFAOYSA-N 347.418 4.276 0 40 EIAB O=C(CSc1nnc2ccccn12)c1ccc(Cl)cc1Cl 6115137 HFXRBLGFIBWYOD-UHFFFAOYSA-N 338.219 4.011 0 40 EIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(Cl)c1 6539809 UKWWXQSUKPDSGK-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4cccs4)nc3c12 6719733 VWJBZWYOZGDGLX-UHFFFAOYSA-N 349.419 4.066 0 40 EIAB COc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1 6735955 WACFDCMZSCMKTK-UHFFFAOYSA-N 349.386 4.232 0 40 EIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1F 7003019 FTLDZSDOYLKKIN-OAHLLOKOSA-N 341.430 4.255 0 40 EIAB COc1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 7651752 RXQZJKGYBRDBDU-UHFFFAOYSA-N 327.424 4.200 0 40 EIAB CCc1c(C)[nH]c2c(-c3ccccc3)c(Cc3ccccc3)nn2c1=O 8914851 DCEZXJJBVYKJNC-UHFFFAOYSA-N 343.430 4.151 0 40 EIAB C[C@@H]1S[C@@H](c2ccccc2)N(c2nc3ccccc3s2)C1=O 9227213 GCGRKQMTLZEACL-ZBEGNZNMSA-N 326.446 4.463 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)Nc1ccccc1F 10259307 USFZEVHPLAPISN-UHFFFAOYSA-N 347.777 4.250 0 40 EIAB Cc1cc(C)cc(C(=O)NCc2ccccc2CN2CCCCC2)c1 10281634 XBFRZERGBBZDSV-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB Nc1cc(C(=O)OCc2ccc(Br)cc2)ccc1Cl 10874328 RRJOLEIKQWONGM-UHFFFAOYSA-N 340.604 4.042 0 40 EIAB Cc1occc1-c1nc(NCc2cccnc2)ncc1-c1ccccn1 12222864 GKRISGMTWITWLO-UHFFFAOYSA-N 343.390 4.114 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 12397080 HYKIYIOACGCPHB-UHFFFAOYSA-N 334.306 4.394 0 40 EIAB Cc1cc(C)cc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 12534260 XHEWXTPVQRKGIL-LBPRGKRZSA-N 327.453 4.391 0 40 EIAB CN1C(=O)/C(=C/NN(c2ccccc2)c2ccccc2)c2ccccc21 12559937 LZPKZHUPALDIEX-CAPFRKAQSA-N 341.414 4.347 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCC1 12782207 UZPHSYXSBWNNFX-BEFAXECRSA-N 341.430 4.173 0 40 EIAB O=C(CSc1nc2ccccc2s1)N[C@@H]1CCc2ccccc21 12947589 SFCTXJKVULUHPS-CQSZACIVSA-N 340.473 4.192 0 40 EIAB C[C@@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 13022846 WKWDQJMYNPXXGE-LLVKDONJSA-N 331.778 4.380 0 40 EIAB O=C(c1cccs1)c1ccccc1C(=O)N1CCc2ccccc2C1 14115408 UQPBCXFCGWLUGU-UHFFFAOYSA-N 347.439 4.178 0 40 EIAB Cc1ccc2cccc(OCc3cc(F)cc4c3OCOC4)c2n1 15394143 NDXUZECDFLFXIJ-UHFFFAOYSA-N 325.339 4.128 0 40 EIAB CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 15561130 HZFDAYPQHNPZBM-LFYBBSHMSA-N 326.371 4.072 0 40 EIAB Cc1ccc(SCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 15715744 NVPFXIFQMNHVFY-UHFFFAOYSA-N 326.465 4.326 0 40 EIAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 16087282 WGVMVWRYMZCKML-VIFPVBQESA-N 348.226 4.172 0 40 EIAB COC(=O)c1cc(C)sc1NC(=S)Nc1ccc2c(c1)CCC2 17072161 IQTRXLKVRHNWEN-UHFFFAOYSA-N 346.477 4.141 0 40 EIAB CCCCN(C)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17270209 WRQOCIHHJLPGNF-UHFFFAOYSA-N 329.835 4.014 0 40 EIAB COc1cccc(CNCc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 17311951 BRHXPPSKUDKBKZ-UHFFFAOYSA-N 349.478 4.155 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(N(C)C)cc1 17917044 PWSXVZNMMAUTEF-UHFFFAOYSA-N 337.250 4.332 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CCCc2ccccc21 20105587 JHGIYWYFRNNCDE-VQTJNVASSA-N 339.435 4.046 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(F)cc1 20460541 QKCOREWKBKSMKV-MAUKXSAKSA-N 329.415 4.477 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1Cl 20460870 PCNBNCOGSASOQF-KRWDZBQOSA-N 331.843 4.431 0 40 EIAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12 22197951 CAYHPLVMFWPRHG-NSHDSACASA-N 343.814 4.491 0 40 EIAB CCc1sc(NC(C)=O)nc1-c1ccc(Br)cc1 28250358 ZVJGDXQJVLVGAU-UHFFFAOYSA-N 325.231 4.093 0 40 EIAB O=C(c1ccco1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289145 AMCBXLTVOAQSNE-UHFFFAOYSA-N 330.746 4.314 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C 28290454 YLAYXUNYKPEJNO-FQEVSTJZSA-N 338.495 4.325 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN[C@H](C)c1ccccc1 28297100 SILYRVYUBDNFOK-YLJYHZDGSA-N 336.479 4.278 0 40 EIAB CCOC(=O)c1ccc(OCc2nc3ccccc3n2C(F)F)cc1 31700892 KPQHMCYMOANISH-UHFFFAOYSA-N 346.333 4.187 0 40 EIAB COc1cccc(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1 31817440 HSWKAFZLPONURX-LBPRGKRZSA-N 329.421 4.017 0 40 EIAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 32644336 JEUSKKIIKDVSTM-UHFFFAOYSA-N 331.803 4.122 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N(C)Cc1ccccc1 32754440 RRKJGJPNSHDIRM-INIZCTEOSA-N 336.435 4.084 0 40 EIAB CCC1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(C)=O)c2)CC1 32916451 JJKOWGSSVRIDEQ-UHFFFAOYSA-N 349.496 4.011 0 40 EIAB CCCCSc1nnc(C)c2cnn(-c3ccccc3OC)c12 35596841 OACMPGYFLUUECE-UHFFFAOYSA-N 328.441 4.025 0 40 EIAB CCOCc1ccccc1CNC(=O)N[C@@H]1CCCc2ccccc21 36392374 RLUSGOJLEGMZBF-HXUWFJFHSA-N 338.451 4.100 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 40146180 COVQRQYKVLFGSW-DIFFPNOSSA-N 343.377 4.358 0 40 EIAB CN(CCc1ccccn1)c1ncnc2sc3c(c12)CCCCC3 40160678 MDHATZHKKZYFNT-UHFFFAOYSA-N 338.480 4.034 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2[nH]ncc12 42018409 UNGIUXKBPLSPGS-LLVKDONJSA-N 336.420 4.006 0 40 EIAB CC(C)Cc1nnc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1 44281731 SQHMPRMIOSGFRK-UWVGGRQHSA-N 335.395 4.044 0 40 EIAB CCOc1cccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45889312 ZHXCKSBWDUWDHG-UHFFFAOYSA-N 341.436 4.146 0 40 EIAB CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 46970226 GAWHCOUFWOZLCH-CVEARBPZSA-N 326.440 4.274 0 40 EIAB CC(C)(C)c1ccc([C@@H]2CCCN2CC(=O)N2CCCCC2)cc1 48273371 VBWSNVXGWZIQTQ-IBGZPJMESA-N 328.500 4.134 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)oc1C 54137412 RMQLZAURYINYHJ-UHFFFAOYSA-N 335.407 4.277 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 58332425 NVARFQHFWMZIEC-IXDOJHRFSA-N 338.451 4.191 0 40 EIAB O=C1C[C@H]2Sc3ccccc3N=C2N1Cc1ccc(Cl)cc1 59682020 WHESWBBCMQMRIR-OAHLLOKOSA-N 328.824 4.277 0 40 EIAB C[C@H](CCN(C)C)Nc1nc(-c2ccsc2)nc2ccccc12 65945378 JUOIWJKXCKWRTF-CYBMUJFWSA-N 326.469 4.110 0 40 EIAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)[C@@H]1CCCc2ccccc21 69776252 IFZVHQIQKJBQIH-GOSISDBHSA-N 346.434 4.093 0 40 EIAB Cc1ccc2c(COc3ccccc3NC(=O)C3CC3)cc(=O)oc2c1 71911271 ZRHSNKMSXOSABU-UHFFFAOYSA-N 349.386 4.029 0 40 EIAB CCn1c([C@H](C)NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)nc2ccccc21 72045113 YEYLITBABVPTKD-MPGHIAIKSA-N 339.483 4.472 0 40 EIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213773 JORONXIFOFHBDU-GOSISDBHSA-N 337.423 4.130 0 40 EIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 72214964 XPFGMUNPFZGCQG-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB C[C@H](NC(=O)N1CCC[C@@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 74896773 PGBTYGPMRZZONT-DZGCQCFKSA-N 348.491 4.182 0 40 EIAB C1=C([C@H]2CCCC[C@@H]2NCCc2nnc(-c3ccco3)[nH]2)CCCC1 89672843 LKEVLVPXNHSYAR-SJORKVTESA-N 340.471 4.256 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2=O)c1nnc(-c2ccccc2)o1 89913785 BALOUSUXHKMAJG-ZDUSSCGKSA-N 334.375 4.396 0 40 EIAB Cc1cc(C)c(-c2nc(N3CCCCC3)sc2CC(=O)O)c(C)c1 95097129 LZYAIEAVLYVWOQ-UHFFFAOYSA-N 344.480 4.353 0 40 EIAB COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1Cn1cccn1 95419420 SCIFRFILUMUNJU-CVEARBPZSA-N 339.439 4.253 0 40 EIAB CC(C)n1cc([C@@H](C)NCc2cc(F)cc(Br)c2)cn1 95420663 RIENMJDFVCIWRV-LLVKDONJSA-N 340.240 4.216 0 40 EIAB COC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 96104502 NIDILGHAHZGRGE-UHFFFAOYSA-N 344.842 4.208 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)C1 100749253 MHXKZCNHVYKVPQ-CCARFGRDSA-N 331.500 4.199 0 40 EIAB COc1cc(C=O)ccc1OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 103804397 JZHVZSZKZPVDIJ-XYOKQWHBSA-N 338.403 4.424 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)c2)o1 107066305 PNSDEEYSQQRVPW-MORSLUCNSA-N 339.439 4.086 0 40 EIAB Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)CCc2cccn2C)o1 176026901 OLLXMDMNGUZXPA-QAPCUYQASA-N 343.471 4.184 0 40 EIAB Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)CCc2cccn2C)o1 176026916 OLLXMDMNGUZXPA-CRAIPNDOSA-N 343.471 4.184 0 40 EIAB COC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1C 216494541 KHMPIMSHOBUBCA-UHFFFAOYSA-N 349.386 4.196 0 40 EIAB Cc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)c(C)c1 222826059 KSRLVLKWDYGOQD-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)NCCc1ccc(F)cc1 223406275 LHSACDCIMCSLCR-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223471832 WCPAJJYYOAKCSS-SJORKVTESA-N 341.451 4.265 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1C 223831423 KBHQFLLBZRSLAP-UHFFFAOYSA-N 341.451 4.326 0 40 EIAB COc1ccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1Cl 225123050 FWWIPBFXMUWVGB-QGZVFWFLSA-N 334.799 4.040 0 40 EIAB COc1cccc(NC(=S)NCCCSCc2ccccc2)c1 225596806 KGACBCDCCVTCIQ-UHFFFAOYSA-N 346.521 4.305 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1snnc1-c1cccs1 225788344 TUJFDEUKVZQNGL-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB Cc1ccc(C)c(NC(=S)NC2(c3cccnc3)CCCC2)c1 225842196 LSQYBPGRSCKUPO-UHFFFAOYSA-N 325.481 4.454 0 40 EIAB CC(C)C(=O)N[C@@]1(C)C[C@H](c2cccc(O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257216659 CVOHXOTYQITSSZ-LUXPHIFBSA-N 345.483 4.189 0 40 EIAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408605207 XODUIFRIHMYDMK-RIYZIHGNSA-N 335.331 4.281 0 40 EIAB FC(F)(F)C1CCC(c2nc(-c3cc[nH]c4nccc3-4)no2)CC1 583007111 SWPRJJNIBOLYHR-UHFFFAOYSA-N 336.317 4.401 0 40 EIAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(F)cc2)n1 195087 ZYIZMCLANOFCIC-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB CCc1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1N 422673 OMEMKSVHWKDHDE-UHFFFAOYSA-N 325.437 4.310 0 40 EIAB O=C(NC1CCCCCC1)c1cccc(COCC(F)(F)F)c1 998920 FQECYODDXMQVMR-UHFFFAOYSA-N 329.362 4.218 0 40 EIAB CCOC(=O)COc1ccc(-c2ccccc2)cc1Br 1732195 ZNVHSHQLEVMURF-UHFFFAOYSA-N 335.197 4.058 0 40 EIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc4ccccc4n3cc21 2439284 NRNSVJUGXOSMTR-CYBMUJFWSA-N 347.805 4.449 0 40 EIAB Cc1cc(=O)c2ccccc2n1Cc1ccc(Br)cc1 2890247 XNJCBJQSBZDNHR-UHFFFAOYSA-N 328.209 4.121 0 40 EIAB CCc1nc2ccccc2c(C(=O)Oc2ccc(C(=O)OC)cc2)c1C 3409889 ITUZKPPGGNKURD-UHFFFAOYSA-N 349.386 4.111 0 40 EIAB S=C(NCc1ccccc1Cl)NCc1ccccc1Cl 3624441 KNVQGYRKNYQADY-UHFFFAOYSA-N 325.264 4.158 0 40 EIAB COc1cccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)c1 4189512 LIGTYZIDZWKQLA-UHFFFAOYSA-N 340.404 4.029 0 40 EIAB N=C1S[C@@H](c2ccccc2)C(=O)N1c1nc2ccccc2s1 5001314 GUMGQPGCSLWSPX-ZDUSSCGKSA-N 325.418 4.052 0 40 EIAB Cc1cc(C)c(NC(=O)COc2cccc3ccc(C)nc23)c(C)c1 5198666 KNGAMLXELUPYPT-UHFFFAOYSA-N 334.419 4.486 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(Br)c1 6338920 YOMSNTMOUXVIGS-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB Cc1ccc(N(C)C(=S)Nc2ccc3nsnc3c2)cc1C 6627567 LGKYWIIHGSAJKK-UHFFFAOYSA-N 328.466 4.141 0 40 EIAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1)OCO3 6670457 FVANRYVFOXCHNB-UHFFFAOYSA-N 349.430 4.382 0 40 EIAB COc1cccc(CNC(=O)c2ccc(COc3ccccc3)cc2)c1 6942375 GEQFRSMSGGHDAT-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(C)c1 7915102 STUAQILDHNYTPO-UHFFFAOYSA-N 339.370 4.064 0 40 EIAB C[C@@H]1C[C@H](Sc2ncnc3sc(-c4ccccc4)cc23)C(=O)O1 8278516 XSTPNUFRDUMSFH-YGRLFVJLSA-N 342.445 4.154 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1cc(F)cc(F)c1 8724891 XZKDQUCCTSKOQL-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 9987912 VHXXVYWXTILWGF-ZHACJKMWSA-N 333.431 4.130 0 40 EIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)CC 11614080 BNZYWQPZYNVCFU-CYBMUJFWSA-N 347.908 4.294 0 40 EIAB COc1ccc(CNc2ncc(-c3cc(C)no3)c(C(C)C)n2)cc1 12186868 JAHFGWKPOZBOBS-UHFFFAOYSA-N 338.411 4.184 0 40 EIAB CC[C@@H]1c2cccn2CCN1Cc1cnn(Cc2ccccc2)c1C 12188605 FCPWVHPLDTXTJG-HXUWFJFHSA-N 334.467 4.008 0 40 EIAB COc1cccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)c1 12469397 NDMGZDZLWNUWEX-SJORKVTESA-N 340.814 4.086 0 40 EIAB Cc1cnc2c(S(=O)(=O)Nc3cccc(Cl)c3C)cccc2c1 12527472 OVBSAYPHQAZYBL-UHFFFAOYSA-N 346.839 4.306 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1-c1cccc(OC2CCCC2)c1 12536890 JSGBIMXPXWSHMC-UHFFFAOYSA-N 338.432 4.370 0 40 EIAB C[C@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3)o2)[C@@H]1C 12551897 RSTUAYCZSBIHGT-DAYGRLMNSA-N 327.424 4.413 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1Cl 12580266 DCUNZHAHZDPUAH-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c3c(cccc13)CC2 12607852 FYYNVHJTCIKPNI-UHFFFAOYSA-N 340.426 4.392 0 40 EIAB CC(=O)c1ccccc1OCCN1C(=O)c2cccc3cccc1c23 12942348 XETXRGPFJXXZMZ-UHFFFAOYSA-N 331.371 4.082 0 40 EIAB O=C(CSCc1cccc(Cl)c1)NCCCc1ccccc1 13673220 HVQIHCBROSJIII-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB CCc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 14251624 HAHYZXOOKOCSQG-HXUWFJFHSA-N 334.419 4.152 0 40 EIAB COc1cc(C(=O)OCc2ccc(C(C)C)cc2)cc(OC)c1OC 14422951 VUTHLJYXSZUOMQ-UHFFFAOYSA-N 344.407 4.193 0 40 EIAB Cc1cccc(C)c1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 16806667 LRDZQTOVHIAXPS-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1ccc2cc(CN[C@H]3CCN(Cc4ccccc4)C3)ccc2c1 23247703 MQPVEGYTPAORFR-QFIPXVFZSA-N 346.474 4.213 0 40 EIAB O=C(NCCc1ccccc1F)C1(c2cccc(Cl)c2)CCC1 25928353 DCUIBEISOXQRSJ-UHFFFAOYSA-N 331.818 4.260 0 40 EIAB Cc1ccccc1[C@H](Sc1nc2ncccn2n1)c1ccccc1 28190118 LKNVRYXZNRWMPD-QGZVFWFLSA-N 332.432 4.314 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 31078563 FZDBBHPLDPSERQ-OAHLLOKOSA-N 343.423 4.035 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 32899618 NKCGAJFMJYHMNE-UHFFFAOYSA-N 349.434 4.001 0 40 EIAB Cc1cc(C)cc(NC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)c1 32932012 FCRKRAMBRMWYAI-UHFFFAOYSA-N 346.430 4.323 0 40 EIAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 39768587 AOLZPOUVHZZLSB-UHFFFAOYSA-N 340.442 4.293 0 40 EIAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(C(F)(F)F)c1 40443188 LZOJLNTZKLHBJS-UHFFFAOYSA-N 343.688 4.309 0 40 EIAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)c(F)c1 49241198 DGHGRQAJGVXDOI-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)n[nH]2)cc1 51315462 RLSCGSQPGCNVEH-UHFFFAOYSA-N 341.798 4.381 0 40 EIAB CCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1 57412713 VNYGTUPSOASNHH-UHFFFAOYSA-N 325.799 4.397 0 40 EIAB Cc1ccc2c(CC(=O)Nc3cnn(-c4ccccc4)c3)coc2c1 58159536 MGJNBJCBTYTSPD-UHFFFAOYSA-N 331.375 4.108 0 40 EIAB CCCCC[C@@H](C)NC(=O)CCNc1cc(Cl)ccc1OC 60166773 HGXVJMFEKNTSEE-CYBMUJFWSA-N 326.868 4.236 0 40 EIAB O=C1c2ccccc2N[C@@H](/C=C/c2ccco2)N1CCc1ccccc1 65980681 RIKVWEOJLHFJPY-JNCYCUAHSA-N 344.414 4.430 0 40 EIAB CCC[C@@H]1c2ccccc2CCN1C(=O)CCc1c(C)noc1C 69737831 IZQJSDAYZHJVCP-LJQANCHMSA-N 326.440 4.150 0 40 EIAB CCOCc1ccccc1NC(=O)NCc1nc(C(C)(C)C)cs1 71857012 AISWEKIEPWXMLH-UHFFFAOYSA-N 347.484 4.299 0 40 EIAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-n2cccn2)c1 71916298 GHMMDWQWKCEOTQ-LJQANCHMSA-N 349.438 4.272 0 40 EIAB CCN(CC)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72212873 NPYHWLHEUJCUNF-LJQANCHMSA-N 337.467 4.295 0 40 EIAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cc1 72299742 PSAMANHUXSNCAO-XGINMYPSSA-N 347.890 4.119 0 40 EIAB COc1cccc(-c2cncc([C@H]3CCCN(C4CCCC4)C3)n2)c1 72359261 QRBBETQYSIMGGJ-KRWDZBQOSA-N 337.467 4.274 0 40 EIAB CC[C@H](C(=O)N(C)Cc1nc2ccccc2s1)c1c(C)noc1C 75126583 DXASUEVVTHVCGN-ZDUSSCGKSA-N 343.452 4.053 0 40 EIAB Cc1cc(C)c2c(N)c(Cc3nccn3-c3ccccc3)sc2n1 78546938 XWLMNRXPUHUQSB-UHFFFAOYSA-N 334.448 4.272 0 40 EIAB CSc1ccccc1C(=O)c1ccc(CN2CCSCC2)cc1 85651243 DUSPMESRLGWMFN-UHFFFAOYSA-N 343.517 4.188 0 40 EIAB CCCc1nc(CNC2(c3cccc(F)c3)CCOCC2)cs1 89960480 LVPZSWCQRJCVDM-UHFFFAOYSA-N 334.460 4.030 0 40 EIAB CCOc1cc(CO)c(Cl)cc1OCc1cccc(Cl)c1 95095065 XDJSETSJSCPHIJ-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB CCOC(=O)c1cccc(-c2ccc(OC)c(Br)c2)c1 95915981 RYSVYCMGCVHUDR-UHFFFAOYSA-N 335.197 4.301 0 40 EIAB C[C@H](c1ccc2ccccc2c1)N1CCC(c2nnc3n2CCC3)CC1 95953915 HBGRAGIMDFDLJN-MRXNPFEDSA-N 346.478 4.318 0 40 EIAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@@H]3C2=O)c1 100085214 DZLHRCTZVFXHBQ-JYBIWHBTSA-N 333.431 4.177 0 40 EIAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c1 101275220 HWKPCECTJXEORO-OAHLLOKOSA-N 349.217 4.046 0 40 EIAB Cc1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225087652 XTQIEZAXPAOGOW-HNNXBMFYSA-N 325.191 4.377 0 40 EIAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1Cl 225710611 SFRDJSPHYGDIPS-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB O=C(NCc1ccccc1Cl)c1cc2cccc(Cl)c2oc1=O 226038978 HLICYALXCQBRHT-UHFFFAOYSA-N 348.185 4.030 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1 257240515 HTVBYTOGEZNCMF-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB O=C(c1cc(-c2cccnc2)on1)N1CCCC[C@H](c2ccccc2)C1 390828065 OGBDBNOVYDXAOZ-SFHVURJKSA-N 347.418 4.147 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc2c1=O 408713188 NLYOWWODQFBUTL-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB O=C(c1ccc(Br)cc1Cl)C(F)(F)C(F)(F)F 575243187 SEOANZWXUHSMPQ-UHFFFAOYSA-N 337.469 4.483 0 40 EIAB Cc1cccc(Cl)c1CN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585290474 WPTLYQYBTBPHPC-XUVXKRRUSA-N 345.870 4.099 0 40 EIAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 130161 FLZWUSZMYLZIRT-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 181069 RUUNPPDJWQDWNK-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C)cc1 190383 VDBROTQTLCVDEX-UHFFFAOYSA-N 325.389 4.249 0 40 EIAB O=C(Oc1ccc(OC(=O)c2cccs2)cc1)c1cccs1 323538 GTNOSUJDNGJLEW-UHFFFAOYSA-N 330.386 4.248 0 40 EIAB CCN(CC)C(=O)c1sc2nc3c(C)c(C)ccc3cc2c1N 413490 VRMPGWILEVDCFK-UHFFFAOYSA-N 327.453 4.131 0 40 EIAB Cc1c(O[C@@H]2CCCCC2=O)ccc2c3c(c(=O)oc12)CCCCC3 531296 CGFFLJKRTWVWGG-LJQANCHMSA-N 340.419 4.261 0 40 EIAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Cl)c1 819143 PYKGNVZZYXIHGE-UHFFFAOYSA-N 341.798 4.081 0 40 EIAB Cc1ccccc1-c1nnc(NC(=O)c2cccc(Cl)c2)s1 1261529 FZBGBEMQCXPTHN-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB C[C@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1 2026565 BZGLBXYQOMFXAU-LBPRGKRZSA-N 330.255 4.415 0 40 EIAB in-vitro CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCC3)cc1 2483604 GOYXMRWLLJEHAV-UHFFFAOYSA-N 343.448 4.485 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 2660657 XRCXMADVBWZPNG-UHFFFAOYSA-N 341.791 4.278 0 40 EIAB FC(F)Oc1ccc(Cl)cc1COc1ncnc2ccccc12 3233822 ZYIATWORTFCBEC-UHFFFAOYSA-N 336.725 4.464 0 40 EIAB O=C(CN(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 3320246 DQUCQWPXVDWDQW-UHFFFAOYSA-N 345.398 4.251 0 40 EIAB O=C(COc1ccc(Cl)cc1)c1ccc(Br)s1 3328918 SCWNCTZCGRRJQX-UHFFFAOYSA-N 331.618 4.426 0 40 EIAB Sc1c(Br)cc(Br)cc1Br 4403784 CSGWTASASRPRAX-UHFFFAOYSA-N 346.869 4.263 0 40 EIAB Clc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 4911723 NVLJPTQDDQHZQB-UHFFFAOYSA-N 337.250 4.442 0 40 EIAB CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 5545805 KWMBKUJSJAPCRG-CYBMUJFWSA-N 341.842 4.325 0 40 EIAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3C=C12 5903517 MWMPYXXDHZQTTO-ZRAXVTTISA-N 343.511 4.343 0 40 EIAB biogenic O=C(Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)[C@H]1CCCO1 7343542 JEJHMKOREBBOIG-MRXNPFEDSA-N 341.798 4.001 0 40 EIAB COc1ccc(OC)c(-c2csc(NC(=O)CCC(C)C)n2)c1 7757696 DLZNTIREVPLGGU-UHFFFAOYSA-N 334.441 4.202 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC(F)F 7886437 AAIIVZCHIAKPDE-MRXNPFEDSA-N 332.350 4.265 0 40 EIAB O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@@H]2CCCC[C@H]2C1 7989329 HDTJIAVVRNFQAF-RYUDHWBXSA-N 333.432 4.479 0 40 EIAB CCCCSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 7997189 OGKDTUQYOSIMPX-UHFFFAOYSA-N 341.477 4.076 0 40 EIAB Oc1ccc(-c2nc(COc3ccc(Cl)cc3Cl)n[nH]2)cc1 8048409 DNVVTBCQKBEVQS-UHFFFAOYSA-N 336.178 4.063 0 40 EIAB COc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 12111411 LLAXQOJTBDETAQ-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 12344368 VJJYATSMCVWMAH-HXUWFJFHSA-N 331.419 4.434 0 40 EIAB Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3)no2)cc1 12422152 JXQXFLWKIVKQNW-UHFFFAOYSA-N 328.318 4.109 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(F)c3)cc2)cs1 12615286 JUSMTDWVYSXLCU-UHFFFAOYSA-N 340.423 4.496 0 40 EIAB CSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 12989499 XJPFFSIVWGGFAA-UHFFFAOYSA-N 339.460 4.499 0 40 EIAB O=C(Nc1ccc(F)cc1Cl)c1cccc(Br)c1 15585669 OXUBTKCVJJCFCZ-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1c(-c2nc(N)nc(Nc3ccccc3F)n2)oc2ccccc12 16976337 LEGUDVSEXPBFIZ-UHFFFAOYSA-N 335.342 4.058 0 40 EIAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 17167064 OKFZNTLFBUIASJ-YBEGLDIGSA-N 343.379 4.071 0 40 EIAB Cc1cc2nc(NC(=O)C(C)(C)Br)sc2cc1C 20133134 YDGDAEPWCDEKDB-UHFFFAOYSA-N 327.247 4.025 0 40 EIAB Cc1ccc2sc(/C=C/c3ccc(OCC(=O)O)cc3)nc2c1 21334314 ZZAWFJYKAUFKJZ-WEVVVXLNSA-N 325.389 4.239 0 40 EIAB CSc1ccc(CN(C)C(=O)CCn2ccc3ccccc32)cc1 21915042 FOWDIGDUAIJQPD-UHFFFAOYSA-N 338.476 4.412 0 40 EIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC=CCC1 22969127 MKXIKCZRWSKZIX-GFCCVEGCSA-N 343.345 4.025 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1 24605904 YCPITEVZUJIAPE-HNNXBMFYSA-N 331.506 4.217 0 40 EIAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c(F)c1 24923482 OZCRPBKXNFSDHE-UHFFFAOYSA-N 331.435 4.175 0 40 EIAB Cc1ccsc1CNC(=O)c1cc2cc(Cl)ccc2nc1C 25720260 DZELGBWIMISHIS-UHFFFAOYSA-N 330.840 4.497 0 40 EIAB CCOCc1ccc(CNC(=O)Cc2cccc3ccccc23)cc1 29281963 SWGHYXXWRRIUBL-UHFFFAOYSA-N 333.431 4.235 0 40 EIAB CO[C@@H](CNC(=O)Cc1coc2cc(C)c(C)cc12)c1ccccc1 32833852 JUPWXTCBQNFYSS-FQEVSTJZSA-N 337.419 4.096 0 40 EIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCc2ccccc2C1 32873944 MTFSIQFNKQUEQA-QGZVFWFLSA-N 342.439 4.131 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1 33809360 JDIFVMVFGCCMDY-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CN(C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 35075056 RSPXLQCWKIXQLM-LYSIVYOWSA-N 337.548 4.233 0 40 EIAB COc1ccc(OC)c(NC(=O)N(C)Cc2cccc(Cl)c2)c1 40097996 LNAVZTQQDNNUFN-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB CC(C)OCc1ccc(CNC(=O)C[C@@H](C)c2ccccc2)cc1 40122260 QBUUZXMKZVUMDS-QGZVFWFLSA-N 325.452 4.422 0 40 EIAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(OC(F)F)c1 46640216 WESDJEDLJLEBAI-JTQLQIEISA-N 348.374 4.389 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(OCCc2ccccc2)cc1 49544386 SGOGNQPIVNHDHB-SFHVURJKSA-N 347.418 4.165 0 40 EIAB CCSCc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 55035048 BSLSXOARFCTXAL-KRWDZBQOSA-N 327.449 4.193 0 40 EIAB CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1 58228959 JZISWCQMNCYKPQ-FQEVSTJZSA-N 339.435 4.087 0 40 EIAB Cc1cccc(CSc2nc3ccsc3c(=O)n2C2CC2)c1 67259740 IYWIFFLUSBJACO-UHFFFAOYSA-N 328.462 4.394 0 40 EIAB CC1(C(=O)NCCC(c2ccccc2)c2ccccc2)CCOCC1 69369532 BPXNBQKAZXXOJC-UHFFFAOYSA-N 337.463 4.142 0 40 EIAB O=C(c1nccc2ccccc12)N(Cc1ccco1)CC(F)(F)F 69491112 HNINCMXRRBHFHW-UHFFFAOYSA-N 334.297 4.033 0 40 EIAB Cc1ccccc1CN(Cc1ccccn1)C(=O)/C=C/c1ccncc1 69775310 DNXOBVIMHGEOBO-MDZDMXLPSA-N 343.430 4.027 0 40 EIAB S=C(Nc1ccc2c(c1)OCO2)Nc1cccc2c1CCCC2 71761439 AUISJGJKWIHEEU-UHFFFAOYSA-N 326.421 4.103 0 40 EIAB CC(C)(C)c1nnc(NC[C@H](c2ccco2)N2CCCCC2)s1 84325425 OGQZNCCAVMDQGT-CYBMUJFWSA-N 334.489 4.068 0 40 EIAB Clc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cn1 89262796 RHLWASZEUJNFDV-UHFFFAOYSA-N 336.576 4.215 0 40 EIAB CN(C)c1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)ccn1 95350426 PEPRKEFNNDHAJD-UHFFFAOYSA-N 333.391 4.192 0 40 EIAB NC(=O)c1ccc(NC(=O)N2CCCC[C@@H]3CCCC[C@@H]32)cc1Cl 95457600 RWJVVTXHHDJMIO-LRDDRELGSA-N 349.862 4.016 0 40 EIAB C[C@@H](Nc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccccc1 95958743 WJIVCNBAQMYMCP-MRXNPFEDSA-N 343.430 4.458 0 40 EIAB CC(C)(C)c1nc(CC(=O)NC2(c3nccs3)CCCC2)cs1 96407318 OMYZMYRBYMTRNQ-UHFFFAOYSA-N 349.525 4.025 0 40 EIAB O=C1C(CN2CCCCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 104269465 NLPPWDBRADHGEK-HXUWFJFHSA-N 348.446 4.073 0 40 EIAB CC1(C)C[C@H](NC(=O)COc2cccc(Cl)c2)c2ccccc2O1 222769446 IZRHBFRKUOIEMK-INIZCTEOSA-N 345.826 4.137 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1OC 223946083 MULKFZJAANLVDP-IBGZPJMESA-N 339.435 4.370 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccc(Cl)cc1 224495916 JRRLGIDAABSHHZ-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB CCC[C@@H](C)NC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225213577 BKKJSDFIDZDEPU-SNVBAGLBSA-N 336.482 4.163 0 40 EIAB O=C1CCCN1c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 225463928 NJCGDKCBNNEYCY-UHFFFAOYSA-N 345.855 4.276 0 40 EIAB Cc1cc(C)n(-c2ccc(CCC(=O)Nc3ccc(F)cc3)cc2)n1 225604888 CZWCKLPCRCTHLP-UHFFFAOYSA-N 337.398 4.200 0 40 EIAB O=C(NCc1ccnc(-c2cccs2)c1)c1c(F)cccc1F 225651667 ZWEIZABRKDWNBI-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(N)n1 225842390 YYTRIZXSCLRMNM-UHFFFAOYSA-N 336.239 4.148 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 226349533 JAHKZEBEDWLQCV-UHFFFAOYSA-N 349.228 4.072 0 40 EIAB FC(F)(F)CCOCc1nn(C2CCCC2)cc1Br 408715671 CIGVBNFGAISSQO-UHFFFAOYSA-N 341.171 4.230 0 40 EIAB CCCN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409232980 TZWUBZQYCXJMIQ-XNTDXEJSSA-N 344.798 4.211 0 40 EIAB CC(=O)OC(C)(C)C(=O)c1ccc(OCc2ccccc2)cc1C 575356865 HUNIEHWCGVXHQT-UHFFFAOYSA-N 326.392 4.098 0 40 EIAB O=C(CCCn1cccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 604419241 VMIAOUBTCIZCFU-UHFFFAOYSA-N 333.435 4.066 0 40 EIAB CC(C)c1nccn1CC1CN(c2nc(-c3ccccc3)cs2)C1 2087045501 DOTHYQIZDYTYDT-UHFFFAOYSA-N 338.480 4.266 0 40 EIAB O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1cccc(F)c1 59351 LJKGXDSRNONGER-UHFFFAOYSA-N 345.267 4.357 0 40 EIAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1 298358 HYNWTRROVAEZLI-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB CCC(=O)N(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O 412790 YMGIYPABGFJSNR-UHFFFAOYSA-N 348.446 4.029 0 40 EIAB CC(C)C(=O)Nc1cccc(C(=O)OCc2c(F)cccc2Cl)c1 482507 OSZNFFSKPSJNDO-UHFFFAOYSA-N 349.789 4.431 0 40 EIAB C[C@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2c2c(Cl)cccc21 488290 RGOIRMSFDXYJFH-LKFCYVNXSA-N 327.767 4.247 0 40 EIAB biogenic Cc1cccc(CSc2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)c1 523837 VRLBPOWDHUUWRR-LBPRGKRZSA-N 349.456 4.256 0 40 EIAB C[C@H]1C[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 552496 MOGCLMUWPUAISZ-LSDHHAIUSA-N 335.455 4.442 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2cc(C)cc(C)c2)c(C)c1 568424 UHZSVHIBDJQHQE-UHFFFAOYSA-N 340.467 4.476 0 40 EIAB CN(Cc1ccccc1)C(=O)CSCc1c(F)cccc1Cl 571695 VRJFXUNINSVQLK-UHFFFAOYSA-N 337.847 4.371 0 40 EIAB CCOC(=O)c1cnc2cc(F)c(F)cc2c1Nc1ccccc1O 1432431 CXYOVGVFMICHFB-UHFFFAOYSA-N 344.317 4.139 0 40 EIAB CN(C[C@H](O)COC1CCC(C(C)(C)C)CC1)C1CCCCC1 1475434 PXZAJBVFNOVSPV-AVAKVYKDSA-N 325.537 4.233 0 40 EIAB COc1cc(-c2noc(-c3cccc(Cl)c3)n2)cc(OC)c1OC 2430938 WMGRKSRXYJFIGU-UHFFFAOYSA-N 346.770 4.083 0 40 EIAB Cc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1 4033065 BKRKPNMXGCAOQR-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB C[C@@H]1CCC[C@@H](N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)[C@@H]1C 4852018 LXKVABORPCYYLX-SNUQEOBHSA-N 333.431 4.359 0 40 EIAB CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136142 RPERTABIPADPCY-UHFFFAOYSA-N 340.423 4.247 0 40 EIAB Cc1ccsc1[C@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 6320281 VQSRKLAJHPYIQK-HNNXBMFYSA-N 347.509 4.313 0 40 EIAB Fc1cc(Br)ccc1NC(=S)NC1CCCCC1 6332738 XROMTYSEYBWSST-UHFFFAOYSA-N 331.254 4.207 0 40 EIAB COc1cccc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c1 6881586 CFTZGRSEJFHLSD-UHFFFAOYSA-N 338.432 4.303 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)C1CC1 7757130 BBUCAGAOIANBAM-UHFFFAOYSA-N 326.415 4.046 0 40 EIAB Cc1csc2nc(CSCc3ccccc3Cl)cc(=O)n12 7975481 WPQRXLDDXGILKX-UHFFFAOYSA-N 336.869 4.151 0 40 EIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1noc2ccccc12 8031760 VPSGKGNQOFTHEI-UHFFFAOYSA-N 348.324 4.048 0 40 EIAB C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccn1 8393836 CVJYKXXBWAHORG-LBPRGKRZSA-N 336.416 4.194 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)Nc1ccccc1 8862969 DFMOPFNYPCFQEC-SFHVURJKSA-N 343.496 4.487 0 40 EIAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)C 9281088 WUWAJTDSLZKKBU-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB CC1CCC(N(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 9691504 CQWSKJVWPZPCEH-UHFFFAOYSA-N 340.423 4.183 0 40 EIAB Cc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139666 ZJSKCYLGNQGLIP-UHFFFAOYSA-N 347.462 4.294 0 40 EIAB CN(C)[C@H](CNC(=O)c1cccc2ccccc12)c1ccc(F)cc1 10329676 BCYKJLSGASWZPA-HXUWFJFHSA-N 336.410 4.012 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCCCOc1ccccc1F 11355268 AHISRCYWVXISLP-UHFFFAOYSA-N 337.394 4.107 0 40 EIAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1 12414356 WOLRDUYFCRAXBG-KRWDZBQOSA-N 347.418 4.182 0 40 EIAB CC(C)Cc1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 12420637 XUPTZHWHJNFCMY-UHFFFAOYSA-N 347.414 4.473 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)cc1F 14399728 NFJIXTIPYODWHT-UHFFFAOYSA-N 325.742 4.416 0 40 EIAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 14575401 ZMEYHMZGKPYDOI-VIFPVBQESA-N 329.268 4.475 0 40 EIAB CCc1sc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1C 14891425 RGAHNKGJENKUPE-UHFFFAOYSA-N 327.405 4.286 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSc1ccc(Cl)cc1 15966633 OQRVBGTWWXZPOV-LBPRGKRZSA-N 335.856 4.318 0 40 EIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20112747 ILJBSDWZGPTBHH-INIZCTEOSA-N 341.451 4.245 0 40 EIAB Cc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1 20450660 DNYBZQDGXSJWOM-UHFFFAOYSA-N 325.452 4.330 0 40 EIAB CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1 20890504 RQEGHMCUJCCAQX-UHFFFAOYSA-N 326.396 4.310 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 22526230 NECXBSGCHQHNLW-SFHVURJKSA-N 325.452 4.128 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nncc3ccccc23)cc1F 24716068 HHXRCCMCYOTCME-GFCCVEGCSA-N 341.411 4.197 0 40 EIAB Cc1cccc(Oc2ccccc2NC(=O)Cc2c(C)nn(C)c2C)c1 25535936 JHSYODSVBWRSSX-UHFFFAOYSA-N 349.434 4.319 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2ccnn2Cc2ccccc2)cc1 25738992 KKMUPGMEBHWOJY-UHFFFAOYSA-N 349.434 4.072 0 40 EIAB Cn1c(SCc2ccc(F)cc2Cl)nc2ccsc2c1=O 26102796 VJLAEERTVKCGCU-UHFFFAOYSA-N 340.832 4.080 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(F)cccc2[nH]1 29573785 GQOKFPCAJUJZIG-UHFFFAOYSA-N 338.367 4.078 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCCO2 32398256 NISFGJHJQTVBKI-GOSISDBHSA-N 343.448 4.181 0 40 EIAB O=C(Cc1csc(COc2ccccc2)n1)NC1CCCCCC1 33326211 UVEMWGZBEOWZPA-UHFFFAOYSA-N 344.480 4.104 0 40 EIAB Cc1ccc(N2C(=N)S[C@H](Cc3ccc(Cl)cc3)C2=O)cc1 36635941 NXAMGLMRYGHIKV-OAHLLOKOSA-N 330.840 4.274 0 40 EIAB COc1cccc(CNC(=O)Nc2ccccc2SC(F)F)c1 43552773 YGPRWKWNWVHQNF-UHFFFAOYSA-N 338.379 4.332 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(OC)cc1 44901510 RNRLEFVRQLOEFB-CRAIPNDOSA-N 327.424 4.038 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@H]1c1ccncc1 45120536 PYTCCWAXGYLIQH-QAPCUYQASA-N 339.439 4.006 0 40 EIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)o1 54702738 JPZMZJYLLAAYSP-KRWDZBQOSA-N 339.782 4.408 0 40 EIAB Cc1nc2cc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH]1 56309645 PDHQOMJLRIMDAB-NWDGAFQWSA-N 325.334 4.179 0 40 EIAB FC(F)(F)c1ccc(NCC2CCN(Cc3ccccc3)CC2)nc1 60082119 VSYIJRLOKDZDFV-UHFFFAOYSA-N 349.400 4.425 0 40 EIAB CCN(C(=O)Nc1ccc(OC)c(F)c1)[C@@H](C)c1cccc(O)c1 71911770 JPMPDIXOBMHRIC-LBPRGKRZSA-N 332.375 4.155 0 40 EIAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 72214872 GAOZPRPCRNBWMK-INIZCTEOSA-N 333.476 4.388 0 40 EIAB O=C(O)/C=C/c1cnc(/C=C/C2=Cc3cc(Cl)ccc3OC2)s1 72312327 LCUSHPYATCOFJI-GCFDIWBDSA-N 345.807 4.384 0 40 EIAB O=C(CC[C@@H]1CCCO1)Nc1c(F)cccc1OCc1ccccc1 75139515 PJVXIQYRMUCXRD-INIZCTEOSA-N 343.398 4.302 0 40 EIAB C[C@H]1C[C@H](N[C@@H]2CCO[C@]3(CCSC3)C2)c2ccsc2S1 90542930 BQMRMHBEIDYWOT-CQJJVWNLSA-N 341.567 4.318 0 40 EIAB CC(=O)N1CCC(Nc2cc(C)ccc2SCC(F)(F)F)CC1 95983066 YGWXAKUFQICLKW-UHFFFAOYSA-N 346.418 4.072 0 40 EIAB CCOCc1ccccc1NC(=O)N[C@H](c1ncccc1C)C(C)C 96406974 GTVKFVHWJNXNNC-SFHVURJKSA-N 341.455 4.445 0 40 EIAB CC[C@@](C)(NC(=O)Nc1cccc([C@H](C)OC)c1)c1nccs1 96418042 UYUPUGMTHBVDGR-YVEFUNNKSA-N 333.457 4.297 0 40 EIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@H]1CCCS1 97021732 HHNILSYVIMOIAD-CHWSQXEVSA-N 341.546 4.173 0 40 EIAB CCOC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 199817869 VKGIQIQNBZVEHT-UHFFFAOYSA-N 333.306 4.229 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccco1 222952175 VIXUYSUZLZDHBO-KRWDZBQOSA-N 347.480 4.103 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(OC)c(C)c1 223228704 LIQLMJSQNNSPRR-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 223340787 OYSFGSQYAYQVLS-GOSISDBHSA-N 337.463 4.391 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 223360494 UHKYEKORCDORSP-SFHVURJKSA-N 341.451 4.131 0 40 EIAB C[C@@H](NC(=S)Nc1ncc(Cl)cc1Cl)c1ccccc1 223954041 LPIZNLJCZFVOEB-SECBINFHSA-N 326.252 4.436 0 40 EIAB COc1ccc(CSCC(=O)NC(C)(C)Cc2ccccc2)cc1 224426671 SKEBXSJQOGAODV-UHFFFAOYSA-N 343.492 4.066 0 40 EIAB CCc1ccc(OCCNC(=O)c2cc3ccccc3cc2OC)cc1 224477073 VRVBIQZSTAOIFB-UHFFFAOYSA-N 349.430 4.220 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)CCCc1ccc2c(c1)OCCO2 224944990 ANUYYGBIDXJUJY-UHFFFAOYSA-N 333.472 4.112 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225117587 LQENPFFBBPGMFY-LJQANCHMSA-N 342.435 4.376 0 40 EIAB CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1cccc(C)c1 225542143 WXNRTLJHKKRDIW-UHFFFAOYSA-N 347.443 4.411 0 40 EIAB Cc1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)n1 225661828 FLPWVFGSJNHFDM-OAHLLOKOSA-N 327.497 4.433 0 40 EIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccccc2C)c1 225753356 ZXPYIFKCKSEIIG-AWEZNQCLSA-N 342.464 4.138 0 40 EIAB Cn1nc(-c2cccc(F)c2)c2c(C(F)(F)F)cc(Cl)nc21 257198333 ZHOLFXOEIWPMON-UHFFFAOYSA-N 329.684 4.447 0 40 EIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1Cl 409273200 IZWGEUXHAIPNJN-UHFFFAOYSA-N 334.828 4.029 0 40 EIAB Cc1ccc(-c2noc([C@H]3CCO[C@H](c4ccccc4)O3)n2)cc1F 585133692 RCDIXNCUIKAIGX-APWZRJJASA-N 340.354 4.361 0 40 EIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccco2)N1c1cccc(F)c1 1615152533 AAUKOJIJEGTWIO-IRXDYDNUSA-N 342.414 4.081 0 40 EIAB C[C@H](c1ccccc1)N1CC[C@H](Oc2ccncc2Br)C1 1888860431 FKSVHZVGMYAORG-HIFRSBDPSA-N 347.256 4.058 0 40 EIAB O=C(Nc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 203921 XSIXSOHHPYZLFP-UHFFFAOYSA-N 347.422 4.316 0 40 EIAB CC(=O)N(c1ccc(C)cc1)C1(C(=O)NC2CCCC2)CCCCC1 246617 YNIRDALAJVHBII-UHFFFAOYSA-N 342.483 4.110 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 364379 HQCFNBIWDJHRPB-UHFFFAOYSA-N 331.371 4.467 0 40 EIAB NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCCC2 371526 OSPSWDUHLMHHCJ-UHFFFAOYSA-N 343.452 4.150 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)N1CCCC[C@@H]1C 413291 DTAZBNIEHHIMDK-AWEZNQCLSA-N 328.481 4.290 0 40 EIAB O=C(Nc1cccc(Cl)c1)N1CCc2[nH]c3ccccc3c2C1 549740 USPAFUWHVMZPFX-UHFFFAOYSA-N 325.799 4.412 0 40 EIAB Cc1cc2nnc(SCCOc3ccccc3)n2c2ccccc12 1788068 PENVPOSIGQJQSJ-UHFFFAOYSA-N 335.432 4.362 0 40 EIAB c1coc(CSCCNc2ncnc3sc4c(c23)CCC4)c1 3459627 WSMDYIJYKVPHSN-UHFFFAOYSA-N 331.466 4.118 0 40 EIAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1COc2ccccc2O1 3551888 RJWBWRGQSKPLML-HXUWFJFHSA-N 347.370 4.257 0 40 EIAB Fc1ccccc1SCCSc1n[nH]c2nc3ccccc3n12 4268746 LBKDTESFTKMKGV-UHFFFAOYSA-N 344.440 4.234 0 40 EIAB CCCCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 4379149 FPRNUYYJFRSNRJ-OAHLLOKOSA-N 345.418 4.162 0 40 EIAB Cc1cccc2sc(NC(=O)CSc3ccc(F)cc3)nc12 4496712 IQUAHJKZDLAERC-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB ClC1=C(Cl)[C@]2(Cl)[C@H]([C@@H]3CO3)C[C@@]1(Cl)C2(Cl)Cl 4803370 ADYBGWQSWJHWDU-GXZSMAFLSA-N 342.864 4.237 0 40 EIAB COc1ccccc1/C=C/C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 5445708 DCLCBHWWWHHKEX-MDJXMAMCSA-N 339.479 4.430 0 40 EIAB CC(C)c1ccc(-c2nc(CSc3nncn3C)cs2)cc1 6063626 ONOJSQMMRCDEGS-UHFFFAOYSA-N 330.482 4.354 0 40 EIAB O=C(Cc1cccc2ccccc12)Nc1nonc1-c1ccc(F)cc1 6662351 BYNMLIZISICRDR-UHFFFAOYSA-N 347.349 4.210 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1ccccc1Cc1ccccc1 6852086 OMTBQTJAEKZADQ-UHFFFAOYSA-N 334.419 4.454 0 40 EIAB COc1ccc(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 8360808 PUKMDQWMAODTGB-UHFFFAOYSA-N 335.403 4.129 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1cc2c(s1)-c1ccccc1OC2 8746086 JRCURHHRCZKMBQ-UHFFFAOYSA-N 347.399 4.436 0 40 EIAB COc1cccc2cc(C(=O)Nc3cccc(Br)c3)oc12 8960597 BKRCBFCDQNDJHQ-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB CCOc1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 9817351 YDMIFOVDTOIJCN-UHFFFAOYSA-N 327.424 4.400 0 40 EIAB CCC[C@H](NC(=O)[C@@H](C)N1CCc2sccc2C1)c1ccccc1 10093975 OCANSTJKSOQSKY-QAPCUYQASA-N 342.508 4.152 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc(C)cc2)C2CC2)cc1 10351353 XWHIIZYNRPQHRQ-FOIQADDNSA-N 338.451 4.072 0 40 EIAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cccc(Cl)c1 11613447 LLTSCDWDWKTVSP-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB COc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 12225715 ZWMXSAVLJCMOTE-UHFFFAOYSA-N 349.394 4.181 0 40 EIAB CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)O)c12 12396127 ABERBUFWYGONOA-UHFFFAOYSA-N 339.370 4.259 0 40 EIAB in-vitro C/C=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OC)c1 12767986 IOCLFAFHWAGUAK-XBXARRHUSA-N 325.408 4.308 0 40 EIAB Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 13550408 PVZSBFPMWUPDEI-UHFFFAOYSA-N 342.399 4.220 0 40 EIAB C[C@@H]1Sc2ccc(C(=O)N(C)[C@@H](C)c3cccs3)cc2NC1=O 14134527 BFTPNYODMLLLQA-QWRGUYRKSA-N 346.477 4.014 0 40 EIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(F)c1 14263717 QNBGPCQNGAPYMA-UHFFFAOYSA-N 328.318 4.191 0 40 EIAB Clc1ccc(COc2ccc(CNC[C@@H]3CCCO3)cc2)cc1 16401551 HSQQLSHUKQWREC-IBGZPJMESA-N 331.843 4.188 0 40 EIAB CCCC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 24441459 VHWHLSYCHMCMIL-GOSISDBHSA-N 336.435 4.225 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1 24576945 GAPGEIGNUVFIAT-UHFFFAOYSA-N 341.436 4.026 0 40 EIAB O=C(NCCSCc1ccccc1)c1cc(-c2cccs2)on1 26064435 DUEVUEURNKNNMD-UHFFFAOYSA-N 344.461 4.066 0 40 EIAB Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1Cc1ccccc1 27063933 FEQIYPFNTGPWKK-UHFFFAOYSA-N 330.431 4.356 0 40 EIAB CC[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1OC(F)F 27352979 PEPGGMDIGXVORU-HNNXBMFYSA-N 337.341 4.237 0 40 EIAB CC[C@H](NC(=O)c1ccc(F)cc1F)c1ccccc1OC(F)F 27358827 OIPYHPRJZHAZJJ-AWEZNQCLSA-N 341.304 4.447 0 40 EIAB C[C@@H]1CC(=O)c2c(OCC(=O)N(C)C3CCCCC3)ccc(Cl)c21 31871372 DJZGQGJJJMEUDG-GFCCVEGCSA-N 349.858 4.200 0 40 EIAB O=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccccc1F 36709726 ZQFRXOIQEXWKHF-UHFFFAOYSA-N 339.395 4.014 0 40 EIAB COc1cc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc(OC)c1 40097730 OIOKZJMUQXFLND-NSHDSACASA-N 334.803 4.240 0 40 EIAB CCSc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 41019050 WBQOYDKRDBLCKW-UHFFFAOYSA-N 335.498 4.345 0 40 EIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(F)c1 41184740 GVFPQVAXKFLOPF-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 44839488 PGRXRVLZXJBJFS-MRXNPFEDSA-N 327.424 4.040 0 40 EIAB Cc1ccc2c(Nc3ccc(C)c(F)c3)c(-c3nc(C)no3)cnc2n1 49420746 BUDHROSKEFFWKB-UHFFFAOYSA-N 349.369 4.488 0 40 EIAB CC(C)(C)c1ccc(OCCCn2ncc3ccccc3c2=O)cc1 57839886 DYNSSUDNLYVUNB-UHFFFAOYSA-N 336.435 4.163 0 40 EIAB Cc1cccc(NC(=O)NCc2cccnc2N2CCCCC2)c1C 58063422 GXUCPYPXDXOFAI-UHFFFAOYSA-N 338.455 4.010 0 40 EIAB Cc1cc2oc(=O)cc(CN(C)Cc3cccc(F)c3)c2cc1C 58167034 SEBHDCTVYFWHHJ-UHFFFAOYSA-N 325.383 4.181 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)ccc1Cl 58825852 HOUIEKIZTAJHOB-UHFFFAOYSA-N 328.199 4.262 0 40 EIAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 65411314 ZWFNHCKIWJFDGQ-CYBMUJFWSA-N 343.427 4.436 0 40 EIAB CCSCc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 65531825 UNURJZXHOZENHA-MRXNPFEDSA-N 346.521 4.416 0 40 EIAB Cc1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)cc1OCC(F)F 71862745 JYZXUNDCCLIWJB-CYBMUJFWSA-N 349.381 4.259 0 40 EIAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)C1CCCCC1 72273388 CXJANTZGBVOHEH-UHFFFAOYSA-N 345.464 4.231 0 40 EIAB Cc1csc([C@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1 72298870 KSVIDYQIJMQRSX-IRXDYDNUSA-N 340.492 4.278 0 40 EIAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 72354175 NFLGWOBOLHIRAO-FQEVSTJZSA-N 346.478 4.084 0 40 EIAB Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nn(C)c2C)o1 75143302 JSNVTHGNTHSKGI-SFHVURJKSA-N 343.471 4.015 0 40 EIAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc2ccccc2c1 76056570 TVQGSTZAPQIFKA-QYWGDWMGSA-N 336.479 4.137 0 40 EIAB C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 84689573 WDVCWHUDBXTGIM-ZXYWRSMDSA-N 341.430 4.257 0 40 EIAB O=C1OCCN1c1ccc(NCc2cc3cc(F)ccc3o2)cc1 89793153 WGDKGUIAMWVWRP-UHFFFAOYSA-N 326.327 4.141 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)N(Cc1ccoc1)Cc1cccs1 90612127 JDPOSGQNHRKYHA-HNNXBMFYSA-N 341.432 4.337 0 40 EIAB CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Cl)C2 100425697 WHUWNAZQBGNWBT-HZPDHXFCSA-N 334.891 4.255 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@]12CC[C@@H]3CC[C@H](C[C@@H](C3)C1)C2 101279292 PCLLZZCHYLHGSS-LYYGHALDSA-N 347.524 4.350 0 40 EIAB Cc1cccc(C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(C)cc2N)c1 216867014 YOTRIARCQQYBMP-OAHLLOKOSA-N 337.467 4.374 0 40 EIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1Cl 222613454 BRPXAYCPJDFUHI-UHFFFAOYSA-N 341.773 4.497 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223720895 WGHGGNBBFDRLSR-UHFFFAOYSA-N 341.451 4.192 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(F)cc1 223829559 BCROFRVKFHVPHU-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB Cc1ccc(CC(=O)Nc2nnc(SCC(C)C)s2)cc1C 225442270 ZYKGYACFADDAPX-UHFFFAOYSA-N 335.498 4.084 0 40 EIAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl 225639289 UKKFZLQKMXPGMK-PXAZEXFGSA-N 325.836 4.273 0 40 EIAB CCc1nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2n1C 225896556 KKHUHTCLYBMLMO-UHFFFAOYSA-N 327.815 4.350 0 40 EIAB CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226254513 UMTWIGSBBVPNCV-OAHLLOKOSA-N 337.467 4.462 0 40 EIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1N 226266465 QZXUPRZKHVSHRK-CYBMUJFWSA-N 327.403 4.039 0 40 EIAB CCOc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257330462 XONUQQOHUBPMFP-QUMCUXDJSA-N 345.483 4.246 0 40 EIAB COc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408585412 DCMCMUQGVHSHQF-UHFFFAOYSA-N 339.174 4.042 0 40 EIAB Cc1cnccc1-c1ccc(C(=O)N2CCC(F)(F)[C@H](C)C2)s1 1615580519 NMHKFIULDFKRCP-GFCCVEGCSA-N 336.407 4.236 0 40 EIAB O[C@H](CNc1nc2ccccc2o1)c1ccc(-c2cccs2)o1 1775970448 NCPAXRYSJXLSMR-GFCCVEGCSA-N 326.377 4.295 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 421869 ZPHVBXMKRRQYET-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB C[C@]1(c2ccccc2)c2ccccc2N(c2ccccc2)C(=O)[C@@H]1O 1564179 OZBIGUBWSLDSBU-UNMCSNQZSA-N 329.399 4.032 0 40 EIAB CC(C)N1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 2265291 AXUVZEYWXFGBJO-YHYXMXQVSA-N 332.208 4.144 0 40 EIAB CCCCn1c([C@@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 2721315 QKWYLFPDKRMEGS-CQSZACIVSA-N 339.414 4.467 0 40 EIAB O=C(Oc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1 3141083 QHICSOQMTHIJNS-UHFFFAOYSA-N 341.750 4.405 0 40 EIAB COc1cccc2sc(NC(=O)CSc3ccc(F)cc3)nc12 4496699 BOJYSEGVQMXCPD-UHFFFAOYSA-N 348.424 4.175 0 40 EIAB Cc1csc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)cn12 5083744 HHGDVIXJKWEUSY-UHFFFAOYSA-N 325.437 4.500 0 40 EIAB c1ccc(CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)nc1 5143329 AYPCZGNNPGAVSY-UHFFFAOYSA-N 345.431 4.017 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)O 5907339 VOXZMBVGBVSZLS-PBHICJAKSA-N 338.492 4.163 0 40 EIAB Cc1cc(C2=N/C(=C\c3ccccc3)C(=O)O2)ccc1Br 6188963 NIVJDKQCVCGUCG-GDNBJRDFSA-N 342.192 4.102 0 40 EIAB COc1ccc(Nc2ncnc3c2c(C)c(C)n3Cc2ccco2)cc1 6662696 YMMHPKCWJAOAJJ-UHFFFAOYSA-N 348.406 4.442 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)cc1 7922047 PIRWVSCTYYESAY-GFCCVEGCSA-N 343.427 4.067 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2cc(F)ccc2C)ccc1OC 7970732 AHEPDALTUDFWBS-JXMROGBWSA-N 329.371 4.193 0 40 EIAB COC(=O)c1cc2ccccc2cc1Oc1ncnc2sccc12 8119908 CGBGNNYDYGTXRV-UHFFFAOYSA-N 336.372 4.423 0 40 EIAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@@H]1c1cccs1 8342815 CDUJGEUIJPADSR-RUJXFNLJSA-N 349.459 4.311 0 40 EIAB CC(C)Nc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 9921525 MYDAWLZHYAEMPS-JTQLQIEISA-N 346.481 4.203 0 40 EIAB Cc1ccc2nc(NC(=O)[C@H]3Cc4ccccc4S3)sc2c1 11429293 SVDACHWUWFVKLY-OAHLLOKOSA-N 326.446 4.260 0 40 EIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCc1ccccc1)CC3 12296422 NLFFWGOHCUVHAH-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB biogenic O=C(NCCSCc1c(F)cccc1Cl)C1CCCCC1 13716924 YINFDEFJXQYARC-UHFFFAOYSA-N 329.868 4.409 0 40 EIAB CCCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 14257540 OSHMFTDAMCGZBP-UHFFFAOYSA-N 335.256 4.092 0 40 EIAB Fc1cccc(CSc2nnc(NCc3ccco3)s2)c1F 14303796 DOGABUKVRYGOGS-UHFFFAOYSA-N 339.392 4.314 0 40 EIAB Clc1ccccc1COc1cccc(CNC[C@@H]2CCCO2)c1 16450046 GQOQQZGCSFACES-SFHVURJKSA-N 331.843 4.188 0 40 EIAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 19523548 BDVMDFVEWODATH-HKUYNNGSSA-N 339.483 4.062 0 40 EIAB CCn1c(CCCC(=O)Nc2c[nH]c3ccccc23)nc2ccccc21 19524288 YTJUETALBBWUFK-UHFFFAOYSA-N 346.434 4.499 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 20482987 HBWSKXZAISURLD-QFBILLFUSA-N 341.451 4.347 0 40 EIAB COCCNCc1c(OCc2ccc(C)cc2)ccc2ccccc12 20874256 JLGNQIZTNJOSKX-UHFFFAOYSA-N 335.447 4.463 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CC[C@@H]2CCCC[C@H]2C1 21905400 WDHFCXZRAOLIIQ-KBPBESRZSA-N 349.858 4.154 0 40 EIAB C[C@H](CC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 23383232 PSBBIGRCDGJQLE-VGOFRKELSA-N 337.463 4.152 0 40 EIAB O=C(CCc1ccc2ccccc2n1)OCc1nc2ccccc2o1 24194258 GNZQARKVNDYBIO-UHFFFAOYSA-N 332.359 4.052 0 40 EIAB CSc1ncc(Cl)c(-c2nnc(-c3ccccc3Cl)o2)n1 27995579 ADEKIWSNXIFHNF-UHFFFAOYSA-N 339.207 4.222 0 40 EIAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NCCC1=CCCCC1 28437831 LATNFCAYPCNABE-CYBMUJFWSA-N 329.469 4.103 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccccc2C)cc1OCC 30754383 QNHBKNJNDLFOSE-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB CCN(CC)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 31097334 KOQUYSZSCHNJOK-MRXNPFEDSA-N 335.448 4.092 0 40 EIAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 32379998 HOTNMLXBYPBVQL-NRFANRHFSA-N 339.483 4.017 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccc(F)cc2)C1 36356838 HLVUDQKVTDUUBJ-CYBMUJFWSA-N 325.318 4.274 0 40 EIAB CCOc1cccc(CO)c1OCc1c(Cl)cccc1Cl 36672523 MOEUCZZCQSEJPM-UHFFFAOYSA-N 327.207 4.463 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1C 38755169 XJWCYCBLFKMZHC-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2)C1 38833862 ZZIAWXGLGIMGIH-INIZCTEOSA-N 328.843 4.191 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N3c4ccccc4C[C@@H]3C)sc2n1 39549150 HMRRATXXKYWECZ-JTQLQIEISA-N 337.448 4.208 0 40 EIAB CCc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39772331 DRKQHFAJFONTHV-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB Cc1ccc(NC(=O)NCCc2cccs2)c(Br)c1 40098514 AZWIWKDTFMYPEZ-UHFFFAOYSA-N 339.258 4.183 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2ccccc2)C1 40288407 AAQAHWQHIQBCFA-ZDUSSCGKSA-N 325.318 4.274 0 40 EIAB CC(C)[C@H](NCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 40466368 IPFLOEVCTXTNNP-SFHVURJKSA-N 325.387 4.363 0 40 EIAB CCOc1ccc(S(=O)(=O)NC2CCCCCC2)c2ccccc12 41095395 RYUYTMLFJPGTNN-UHFFFAOYSA-N 347.480 4.240 0 40 EIAB Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccco3)cc2)cs1 43854508 DYSBCHKAYGRKQA-UHFFFAOYSA-N 327.409 4.375 0 40 EIAB O=C(/C=C/c1ccc(F)cc1)Nc1cccc(OCc2cccnc2)c1 46598445 NAJWBFUEKKNDEO-DHZHZOJOSA-N 348.377 4.452 0 40 EIAB COc1ccc2cc(-c3cc(C(=O)O)nn3-c3ccccc3)ccc2c1 59472448 YWZJROXNJGHCDQ-UHFFFAOYSA-N 344.370 4.399 0 40 EIAB CCc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 61914809 BSPUWOIIIUVLMP-LJQANCHMSA-N 338.451 4.091 0 40 EIAB O=C(CC[S@](=O)C/C=C/c1ccccc1)Nc1ccccc1Cl 70008100 CLMFGMLVHGLZHM-CJHOVAGGSA-N 347.867 4.131 0 40 EIAB O=C(c1ccccc1Cc1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 71805037 UZURYFZMIRKQEQ-SFTDATJTSA-N 335.447 4.061 0 40 EIAB CC[C@@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1 72295357 GBGAGUZYXOFJHV-LJQANCHMSA-N 326.440 4.207 0 40 EIAB C[C@H](NC(=O)CSc1ccncc1)c1ccc(-c2cccnc2)cc1 78985788 LPVOTKAGIFKDLI-HNNXBMFYSA-N 349.459 4.113 0 40 EIAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1Cl 85397456 FNGHLDWBFOGXDK-UHFFFAOYSA-N 332.783 4.298 0 40 EIAB Cc1c(COc2ccccc2)cccc1NCc1nnc(C2CC2)o1 86212858 QTHSCJNMQMLDHR-UHFFFAOYSA-N 335.407 4.447 0 40 EIAB Cc1cnc(CCNC(=O)N(C2CC2)[C@@H](C)c2ccccc2F)s1 86424375 BJVYNHNXFHRYSY-ZDUSSCGKSA-N 347.459 4.068 0 40 EIAB O=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)C2CCC2)CC1 89826064 LVQZAIKJMBVWFI-HXUWFJFHSA-N 338.451 4.015 0 40 EIAB CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(NC(C)=O)c1C 95414607 UXJNOCLXWKFSLI-GOSISDBHSA-N 332.444 4.020 0 40 EIAB C[C@]1(CCCO)CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 95454746 LTCUGAZLFMUJPV-GOSISDBHSA-N 334.847 4.122 0 40 EIAB COc1cc(C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 95916155 PLRUOXJKHOZOQU-UHFFFAOYSA-N 328.408 4.241 0 40 EIAB Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)o1 96057049 WRVXBSFJSCWAGD-NHCUHLMSSA-N 347.499 4.166 0 40 EIAB Cc1cnc([C@@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 120919570 QNCWZWJUYKSEOA-UGSOOPFHSA-N 344.480 4.415 0 40 EIAB COc1ccc(CCCNC(=O)C2(c3ccccc3)CCCC2)cc1 195559990 RQXOBRJZTNNZSG-UHFFFAOYSA-N 337.463 4.256 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 223019873 WQIQVTUZSIHLPR-OAHLLOKOSA-N 339.435 4.370 0 40 EIAB S=C(NCc1ccco1)Nc1ccc(Sc2ccccc2)nc1 223902804 OSFTYCCKHFNASA-UHFFFAOYSA-N 341.461 4.312 0 40 EIAB COc1cccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225099368 OSFFBQAEGYMOJL-SFHVURJKSA-N 328.408 4.067 0 40 EIAB COC(=O)c1cc(NC(=S)NC2CCCCCC2)ccc1Cl 225353543 DOPFXZGNJZERST-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1 225867624 WALHDSPSBGKTKS-UHFFFAOYSA-N 342.414 4.378 0 40 EIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 253498202 NCMZQTLCXHGLOK-ZSPTZRBXSA-N 330.468 4.450 0 40 EIAB C[C@H]1[C@H](C)[C@H](c2ccc3c(c2)OCO3)O[C@H]1c1ccc2c(c1)OCO2 257520722 QFUXQRHAJWXPGP-SEEPXDQQSA-N 340.375 4.229 0 40 EIAB biogenic,in-vitro O=C(COCc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 390826318 IBDOEHLYVGKOJL-SFHVURJKSA-N 343.473 4.232 0 40 EIAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1CCOC 409095989 CDBJLKAIUGDBMC-UHFFFAOYSA-N 325.865 4.137 0 40 EIAB Cc1nnccc1C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 533576927 NFOBSDVWJOWNKY-QGZVFWFLSA-N 329.831 4.100 0 40 EIAB C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc2c(F)cccc2c1 582196044 GCKLWESSZVZNCJ-WBVHZDCISA-N 348.421 4.467 0 40 EIAB CC(C)(C)c1cnc(NC(=O)N2CCOC[C@@H]2c2ccccc2)s1 608333563 GRGLYEWVKYVJDK-CQSZACIVSA-N 345.468 4.046 0 40 EIAB Cc1cccc(-n2ccnc2SCc2nc(CC3CC3)no2)c1C 608347433 LPQUAZIWWVRLDK-UHFFFAOYSA-N 340.452 4.117 0 40 EIAB Clc1ccc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)co2)cc1 613450579 GBEAHYYCQGHAKE-SJORKVTESA-N 332.831 4.138 0 40 EIAB OCCC[C@H](NC1CC(COCc2ccccc2)C1)c1ccccc1 1615614630 HUBJGTWFMHXLPO-VTLFHKLASA-N 339.479 4.085 0 40 EIAB Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)o1 204859 HUZSPEBHQXIMRW-UHFFFAOYSA-N 343.386 4.128 0 40 EIAB C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 482416 KSKOUMYMEYZNED-LLVKDONJSA-N 337.202 4.351 0 40 EIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2ccccc2c1 500043 QRJLYXJVAKTYAL-IBGZPJMESA-N 335.359 4.138 0 40 EIAB O=C(O)CC1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 532814 QTMYKILJKZLUQH-UHFFFAOYSA-N 329.318 4.069 0 40 EIAB CCOC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 549774 USHWSLSTYOFRCV-HXUWFJFHSA-N 347.418 4.486 0 40 EIAB O=C(/N=c1\[nH]cc(Cc2cccc(Cl)c2)s1)c1cccs1 848387 QBTVHTFUCQFARG-UHFFFAOYSA-N 334.853 4.123 0 40 EIAB aggregator Cc1ccc(-c2csc(N(C)C(=O)COc3ccccc3)n2)cc1 932641 KQHLMBOUKAQIBM-UHFFFAOYSA-N 338.432 4.160 0 40 EIAB O=C1c2ccccc2C(=O)N1CNc1ccccc1-c1ccccc1 1441728 KCBFDEUNENEIJA-UHFFFAOYSA-N 328.371 4.019 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 1961898 CITZCWMAZSCPJZ-UHFFFAOYSA-N 325.408 4.088 0 40 EIAB CCOc1ccccc1NC(=O)CCc1nc2ccccc2s1 2638727 ONAGWNJJGFHFKI-UHFFFAOYSA-N 326.421 4.266 0 40 EIAB COc1cccc([C@@H](C)NC(=O)c2csc3c2CC[C@H](C)C3)c1 2730439 IJLMIQZTLLFXAO-QWHCGFSZSA-N 329.465 4.373 0 40 EIAB C[C@]1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl 3502004 QAGUSRBIQUJFMG-MRXNPFEDSA-N 337.202 4.150 0 40 EIAB Nc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)s1 3517424 OYSFEJJIPQTUHJ-UHFFFAOYSA-N 333.482 4.143 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3)o2)cc1C 5372211 UOKAAQYCTGYKRC-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CC1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 5977721 NZGKMTPXFHSSNY-UHFFFAOYSA-N 334.769 4.029 0 40 EIAB O=S(=O)(NC1CCCCCCC1)c1cc(Cl)ccc1Cl 6329763 UBYSQIIXYGQZAI-UHFFFAOYSA-N 336.284 4.385 0 40 EIAB CCOc1ccccc1OCCCC(=O)Nc1ccc2c(c1)CCC2 6649318 UIXMIOLXJZGPNK-UHFFFAOYSA-N 339.435 4.372 0 40 EIAB O=c1cc(CSc2cccc3cccnc23)c2ccc(O)cc2o1 6721264 ULURHEDSRMYLGG-UHFFFAOYSA-N 335.384 4.339 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1 7305270 GZPSWEVHBGLWNB-SNVBAGLBSA-N 330.236 4.033 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)cc1OC 7598825 BUANYPNFJGEAJU-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc2c(c1)OCO2 7885001 VWQYSHKFBUKEGV-HXUWFJFHSA-N 344.370 4.186 0 40 EIAB CCc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1OC 8061217 NYNITKZBJWNSGT-UHFFFAOYSA-N 334.419 4.044 0 40 EIAB O=C(NC1CCCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 8076213 XKQQCASWAWTRPP-UHFFFAOYSA-N 345.446 4.271 0 40 EIAB O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 9366770 CVDVWYILARSAIH-UHFFFAOYSA-N 331.799 4.073 0 40 EIAB Clc1snnc1CSc1nnc(-c2c[nH]c3ccccc23)o1 9578288 UAINQQCFINFFMA-UHFFFAOYSA-N 349.828 4.015 0 40 EIAB CCCCCC[C@@H](C)NC(=O)CC(C)(C)CC(=O)N(CC)CC 9763666 AFMSERXTUQLJNF-MRXNPFEDSA-N 326.525 4.136 0 40 EIAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)s1 10959025 NTDOOLJDVUTDOJ-HNNXBMFYSA-N 327.453 4.450 0 40 EIAB COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 11915671 SFHLGHDSALNPEZ-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@@H](O)c2ccccc2)CC1 12187994 JTEUEPDPZVLPDL-OAQYLSRUSA-N 349.474 4.277 0 40 EIAB O=C(Nc1nc2ccccc2[nH]1)c1ccccc1OCc1ccccc1 12546305 ZRPSFWNCNUPCHL-UHFFFAOYSA-N 343.386 4.394 0 40 EIAB C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1Cl 12926668 WIVJBYVXXYHBGN-STQMWFEESA-N 348.899 4.198 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 12932332 XQNCKAKGNIGFHY-UHFFFAOYSA-N 337.419 4.176 0 40 EIAB Cc1cc(C)c2cc(CNCc3ccccc3Cl)c(=O)[nH]c2c1 13998454 OBSKTONNTSBBPY-UHFFFAOYSA-N 326.827 4.088 0 40 EIAB CCCOc1ccc(NC(=O)c2ccc(OC)cc2)c2cccnc12 15840897 PEJRCUYUIVWPQQ-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB CC(C)N(Cc1ccccc1)C[C@H](O)COc1cccc2ccccc12 17113371 DIJUYSHEKLLUFO-NRFANRHFSA-N 349.474 4.490 0 40 EIAB CC(C)c1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1 21669679 JVYJVNDDDKJQAQ-UHFFFAOYSA-N 341.436 4.493 0 40 EIAB O=C(c1ccccc1COc1ccccc1)N1CCc2ccccc2C1 21706693 SNDUJUFJHKGIOX-UHFFFAOYSA-N 343.426 4.464 0 40 EIAB Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1C 22480172 MHDYCXYOLODMLE-UHFFFAOYSA-N 337.341 4.131 0 40 EIAB c1ccc(CCNc2nc(-c3ccsc3)nc3ccccc23)nc1 24094115 BKNLTFZXQDXOOX-UHFFFAOYSA-N 332.432 4.408 0 40 EIAB CC(=O)c1ccccc1OCCSc1nc(-c2ccccc2)c[nH]1 27660067 BPUUVWBAIBEFHH-UHFFFAOYSA-N 338.432 4.450 0 40 EIAB CCOC(=O)c1ccc(NCc2c(OC)ccc3ccccc23)nc1 29528489 AFMSXQINEXDJDO-UHFFFAOYSA-N 336.391 4.032 0 40 EIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccnc(Cl)c1 32342034 KGZBMCFMLBZNPV-JTQLQIEISA-N 331.828 4.178 0 40 EIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1OC 39631978 YVUXELDWZDJQPP-KRWDZBQOSA-N 347.842 4.131 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 44840996 MEFXBXNHFWWPOF-KXBFYZLASA-N 327.424 4.038 0 40 EIAB Clc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1Cl 57326768 XLCURXOGRRYLPV-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1cc[nH]n1 63339167 USXNEMUAAPVQGA-UHFFFAOYSA-N 343.427 4.328 0 40 EIAB O=C(Nc1cccc(NC(=O)N2CCCCCCC2)c1)c1ccoc1 69369267 UWTDADWBDMGYCW-UHFFFAOYSA-N 341.411 4.330 0 40 EIAB Cc1cc2nc(-c3cccc(I)c3)[nH]c2cc1C 70461583 RANCPEVYQMCZMV-UHFFFAOYSA-N 348.187 4.451 0 40 EIAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72214618 HNIICQCWQHLVEM-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 72297281 LBFGESGFAQJYJS-CYBMUJFWSA-N 347.484 4.398 0 40 EIAB C[C@H]1CCc2ccccc2N1C(=O)c1cccc(NC(=O)C2CC2)c1 72496032 BSVPATUGSKDIQR-AWEZNQCLSA-N 334.419 4.017 0 40 EIAB CN(C)CCCCC(=O)Nc1cccc(C2SCCCS2)c1 74185990 UDMXGUJFIRATDM-UHFFFAOYSA-N 338.542 4.226 0 40 EIAB CC[C@@H](NC(=O)N[C@H](C)c1c(C)noc1C)c1cc(F)ccc1F 76019956 UQVGDOZWQYWLFB-RFAUZJTJSA-N 337.370 4.081 0 40 EIAB O=C(Nc1cccc2cccnc12)N[C@H]1CCCC[C@@H]1C(F)(F)F 89808050 RESLZPDOQIYZRE-STQMWFEESA-N 337.345 4.477 0 40 EIAB Cc1cccc(O)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 95983422 XCDITAOBOBUQFQ-UHFFFAOYSA-N 342.395 4.300 0 40 EIAB CO[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1C 96104990 QGEAFVUUZBRDJB-QGZVFWFLSA-N 343.492 4.372 0 40 EIAB CCc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2c(OC)cccc23)c1 101084860 DEVUXWDMUUMILV-UZLBHIALSA-N 338.407 4.027 0 40 EIAB CC(=O)N[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918366 LGGHTNIMFTVTOB-RDTLVLTASA-N 345.527 4.061 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccc(C)cc1 219574915 HUJNHIYSWGTEKI-GOSISDBHSA-N 329.415 4.041 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)cc1C 223069085 XKETTWMXOQECOW-UHFFFAOYSA-N 348.240 4.256 0 40 EIAB Cc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccc(Cl)cc3)n2c1 223148858 RZZJGHSEXHAYLH-GFCCVEGCSA-N 327.815 4.096 0 40 EIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1 224284488 VANXFLRDFOUNMS-HNNXBMFYSA-N 337.394 4.105 0 40 EIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 224324685 HSDCDYSHIYNBSO-MOPGFXCFSA-N 348.475 4.149 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(Cl)cc1 224465636 MTEGHBNHEIRXEH-SFHVURJKSA-N 345.870 4.473 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1sccc1-c1nc(C)no1 225659270 UYWBKQUXPQMOGB-UHFFFAOYSA-N 349.799 4.021 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1OC 225752896 KLKNVXJSMAUYIK-ZDUSSCGKSA-N 330.453 4.060 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c(C)n1 225888564 QRHPEKNXBHHPOA-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB Cc1cc(OCC(=O)Nc2ccc(N)cc2Cl)cc(C)c1Cl 227147986 VQPZIKYONMNWOX-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccccc3Cl)c(C)nc2c1 247926830 BDNIYFABJKXULP-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB O=C(CN(C1CCCCC1)C1CCCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2 408583841 XLQJRSHVXIUIKH-ABSDTBQOSA-N 332.532 4.259 0 40 EIAB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)c2ccccc21 409115477 JIZMRFRDKSXERE-ZROIWOOFSA-N 343.810 4.351 0 40 EIAB O=C(O)[C@@H](c1ccsc1)N1CCC[C@H]1c1nc2ccccc2s1 576830306 RZZXPCUZAZHBOF-DZGCQCFKSA-N 344.461 4.321 0 40 EIAB OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2OCCC[C@@H]12 601008691 RROYEMKQPPGUAQ-NKFCBESUSA-N 330.255 4.418 0 40 EIAB COc1ccccc1C(=O)NCCc1ccc(-c2cccs2)s1 1889274680 ABTUBAUMPQORSJ-UHFFFAOYSA-N 343.473 4.458 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 53051 QWQABDQXMSDRSZ-WCQYABFASA-N 342.222 4.003 0 40 EIAB Cc1cc(C)cc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 303493 WNDPFBHGWWYOPO-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1nc2c(Cl)cccc2s1 558566 AANYNSHQFZALLP-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)cc2)c1 569301 DAKYPJILDZWFLT-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB Cc1cc2c(cc1C)N[C@H]1C(=O)[C@@H](c3ccccc3Cl)OC1=N2 1588549 ZAXPPBWSPNFTPL-DOTOQJQBSA-N 326.783 4.122 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCc1ccccc1 2739079 HQGHLHXOQZDNQV-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)C)cc3)nc2c1 3346284 GNBJFMKCNUUIMO-UHFFFAOYSA-N 344.436 4.488 0 40 EIAB O=C(CSc1nncn1-c1ccccc1)c1ccc2ccccc2c1 3374053 VYCQGKAHJWFGJM-UHFFFAOYSA-N 345.427 4.396 0 40 EIAB Cc1ccccc1Cc1nnc2sc(/C=C/c3ccccc3)nn12 4667656 MRXIOVVTVOUZEO-VAWYXSNFSA-N 332.432 4.255 0 40 EIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136321 XULFPYBWTBFUMQ-UHFFFAOYSA-N 336.435 4.183 0 40 EIAB CCc1ccccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O 5269108 QGSHETPVXYMOFH-UHFFFAOYSA-N 346.430 4.020 0 40 EIAB CC(C)c1ccccc1OCC(=O)Nc1nc2ccccc2s1 5635637 YBVLJVUCFJXVPM-UHFFFAOYSA-N 326.421 4.437 0 40 EIAB Cc1ccc(OCC(=O)NCCOc2cccc3ccccc23)cc1C 5814910 KOMDKJHJMVWJDQ-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F 5869167 LIGKCYMHHWVDBP-MRVPVSSYSA-N 329.705 4.163 0 40 EIAB C=CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6324936 ZOVVMQBTEZAGGS-QHHAONBESA-N 344.480 4.341 0 40 EIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccn2C)cc1 7087957 CJLKDXMAGGDSER-HXUWFJFHSA-N 331.419 4.100 0 40 EIAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 7984752 TTZWKEBCBWNFJM-CQSZACIVSA-N 341.436 4.132 0 40 EIAB CCCCc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 8074047 PSHKOPCDBIEJNO-UHFFFAOYSA-N 336.435 4.408 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSc1ccccc1 8479761 LMDKWKXNYYFDBQ-SFHVURJKSA-N 329.465 4.061 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)NCc2ccccc2)on1 8762334 MVZCVRROBBIIEN-UHFFFAOYSA-N 338.432 4.205 0 40 EIAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)C2CC2)cc1 9303239 BSPXHCDMUKSSRX-LJQANCHMSA-N 347.418 4.141 0 40 EIAB Cc1ccc2oc(C(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c2c1 9970573 HNRXBHDEMDHBQO-UHFFFAOYSA-N 333.343 4.408 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](C(F)(F)F)C2)c(C)c1 11218013 XXPZMIDMEJXTEW-GJZGRUSLSA-N 342.405 4.213 0 40 EIAB CC[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 11266542 HWWVDTCGWMCXKM-UXHICEINSA-N 340.442 4.195 0 40 EIAB COc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1 12062949 WEYIAHORJKMVEN-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 12558444 XYNTVLUIEYWRII-CQSZACIVSA-N 337.448 4.334 0 40 EIAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1Cl 12580276 DCUNZHAHZDPUAH-LBPRGKRZSA-N 325.799 4.221 0 40 EIAB Cn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc21 12659305 CGQYCGICLBZSEG-UHFFFAOYSA-N 328.828 4.167 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ncccc1OCc1ccccc1 12935542 FUZYIRIXUSZZAS-BUHFOSPRSA-N 330.387 4.313 0 40 EIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(C)c3)c2C1 12938999 VIHGKKFQKYJKHI-UHFFFAOYSA-N 345.446 4.174 0 40 EIAB Fc1ccc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 13009206 YKRBUYWZZNJKGC-AWEZNQCLSA-N 329.400 4.274 0 40 EIAB Cc1cc2nc([C@@H](C)C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1C 13099541 QPJCMNLBPGOLEL-GFCCVEGCSA-N 340.810 4.180 0 40 EIAB in-vitro C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 13400948 SLODIKZFXFILEX-LBCBGTHCSA-N 332.484 4.341 0 40 EIAB biogenic COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1Cl 15393490 YLXNAKHOIBNRGX-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)NCCc3cccs3)ccc2c1 17909658 RCEFOSMISLXMES-AWEZNQCLSA-N 339.460 4.372 0 40 EIAB CC[C@@H](CNc1ccc(OCCOC)cc1)Oc1ccccc1C 19738272 MDOJSQUFHGXKRW-SFHVURJKSA-N 329.440 4.290 0 40 EIAB Cc1cc(Br)cc(C)c1NC(=O)c1cccc(N)c1C 20030730 GDHMYVZQURQYGV-UHFFFAOYSA-N 333.229 4.209 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCCc2ccccc21 20492370 CHLMAMJFPQIPSG-RBUKOAKNSA-N 327.399 4.177 0 40 EIAB O=C(NCc1ccncc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 24581947 WHQVHSLDJPMPDF-UHFFFAOYSA-N 348.246 4.049 0 40 EIAB CCCN(CC1CC1)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 24818751 VRBJLGCZHQMMQP-UHFFFAOYSA-N 343.496 4.448 0 40 EIAB CN(C)[C@@H](CNC(=O)C1CCC(C(C)(C)C)CC1)c1ccsc1 25330188 ZUQKESBJUAYBAI-PREGVCBESA-N 336.545 4.320 0 40 EIAB C[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1 29757685 HRNSEAVDZXTYKE-HNNXBMFYSA-N 341.430 4.092 0 40 EIAB Cn1ccnc1[C@@H](NCc1ccc(Cl)cc1)c1ccc(F)cc1 30644266 VEIULOMNZIVWCQ-KRWDZBQOSA-N 329.806 4.092 0 40 EIAB O=C(CSc1ccc(F)c(F)c1)Nc1cccc2cnccc12 32740545 XAKOZTWAQMEKQY-UHFFFAOYSA-N 330.359 4.244 0 40 EIAB O=C(NCc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 32797299 FOJWYNDPEYATLX-GOSISDBHSA-N 340.423 4.476 0 40 EIAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(OC)cc1 44947093 JCQVSGZQLIZGJS-IBGZPJMESA-N 341.451 4.267 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)Cc1c(C)noc1C 46960687 LVJBYWKCBVXJAU-MRXNPFEDSA-N 345.443 4.048 0 40 EIAB CCCN(Cc1nnc(C)o1)[C@@H](C)c1ccccc1Br 52134828 KDMDNCVMCWDESO-NSHDSACASA-N 338.249 4.114 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(F)c1 57412647 WMIFJEOIJCGNLW-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CC(C)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)nn1C(C)(C)C 58413107 YJOWXQBJLIZEHW-UHFFFAOYSA-N 343.475 4.101 0 40 EIAB O=C(/C=C/c1c(F)cccc1F)OCc1ncc(-c2ccccc2)o1 58973088 SCQGRQNTDIAMKJ-MDZDMXLPSA-N 341.313 4.376 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809278 LHTCFBFWOUATLQ-UHFFFAOYSA-N 345.811 4.212 0 40 EIAB O=C1COc2ccc(Cl)cc2CN1Cc1ccc(F)cc1Cl 67323780 CLSSABUZHJVDSU-UHFFFAOYSA-N 340.181 4.054 0 40 EIAB CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC(CO)CC1 71857115 ULDNYWVDOHDWEY-UHFFFAOYSA-N 342.892 4.077 0 40 EIAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cn1 71888317 LTZQQLRQULPMAV-HXUWFJFHSA-N 333.435 4.168 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)c(Cl)c1 83562318 GKVGNCJNIAXOPV-ZUCKAHLUSA-N 349.862 4.483 0 40 EIAB CC(C)(C)c1cnc(COc2cccc(Oc3ncccn3)c2)o1 84284685 NNENKMUKKOFVFR-UHFFFAOYSA-N 325.368 4.133 0 40 EIAB C[C@@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)c2ccccc2S1 89824724 IZTKFIDZDBWFKU-YPMHNXCESA-N 346.477 4.136 0 40 EIAB c1ccc(Cn2ccnc2CN[C@@H](c2ccccc2)c2ccco2)cc1 89841131 QEOMVTOXKCTMEG-QFIPXVFZSA-N 343.430 4.404 0 40 EIAB Cc1nc(CNc2cc(NC(=O)OC(C)(C)C)ccc2F)oc1C 95409494 NXZLTVMEVMCMLG-UHFFFAOYSA-N 335.379 4.390 0 40 EIAB Cc1nn(C2CCCCC2)c(C)c1NC(=O)[C@@H](C)C1CCOCC1 97229815 UXMMWHSWFTVDES-ZDUSSCGKSA-N 333.476 4.006 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C)cc1 113970852 NYELTYMWHKZJHA-GOSISDBHSA-N 331.843 4.431 0 40 EIAB CC(C)n1ncc2ccc(NC(=O)N3CCc4sccc4C3)cc21 194788959 GXPRJQSQLQJDQJ-UHFFFAOYSA-N 340.452 4.269 0 40 EIAB Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1F 195559149 RTUANOQVQZIVAI-OAQYLSRUSA-N 325.836 4.278 0 40 EIAB COC(=O)c1ccc(CN2c3ccc(F)cc3[C@@H](C)CC2(C)C)o1 223231489 LLQWUBPBYZSMCV-LBPRGKRZSA-N 331.387 4.498 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2)cc1 224936585 BTMUMCWPCPUTOP-UHFFFAOYSA-N 332.806 4.261 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2ccc(Cl)c(C)c2)c1 225826814 MDEDFCFCGMQMIL-UHFFFAOYSA-N 345.870 4.468 0 40 EIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257212560 CDYITHWWGHCFOB-YEXGDUPYSA-N 335.532 4.405 0 40 EIAB CC(C)CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@@H]2CCC[C@@H]12 257280526 OLFKQGPPSHWFMY-VNTMZGSJSA-N 329.484 4.108 0 40 EIAB CC(C)c1ncncc1C(=O)Nc1nc2cc(Cl)ccc2s1 390833698 LRJRXFWQMWZPLV-UHFFFAOYSA-N 332.816 4.115 0 40 EIAB O=C(O)[C@H](c1ccsc1)N1CCC[C@@H]1c1nc2ccccc2s1 576830308 RZZXPCUZAZHBOF-HIFRSBDPSA-N 344.461 4.321 0 40 EIAB COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 1569985885 FMNPCVNWRFPDCA-SSTJLMRISA-N 328.452 4.483 0 40 EIAB COC(=O)c1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OC 391374 CTBVWDJDPUAGQX-UHFFFAOYSA-N 336.343 4.187 0 40 EIAB COc1ccc(-c2nc(N)c3c4c(sc3n2)CC[C@H](C)C4)cc1 501093 VSBYZMZUBFJLAP-JTQLQIEISA-N 325.437 4.074 0 40 EIAB COc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 1006289 CLCODOAPTAOLNX-UHFFFAOYSA-N 330.693 4.015 0 40 EIAB COc1cccc2sc(NCC(=O)c3ccc(Cl)cc3)nc12 2550201 LQHMSUXTGODLJQ-UHFFFAOYSA-N 332.812 4.253 0 40 EIAB Cc1ccc(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3051548 YCPPTWFEDMZRNZ-CYBMUJFWSA-N 337.678 4.266 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ncccn1 3256996 LLCJZJOXKJUHHP-UHFFFAOYSA-N 329.469 4.454 0 40 EIAB CCCCOc1ccc(C(=O)NCCn2ccc3ccccc32)cc1 4060453 GGOJJLVYAJHYKZ-UHFFFAOYSA-N 336.435 4.250 0 40 EIAB Nc1ccc(C(=O)OCCCc2nc3cc4ccccc4cc3[nH]2)cc1 5042456 BHWCXEGEAIORHG-UHFFFAOYSA-N 345.402 4.088 0 40 EIAB c1ccc(C(NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1 5298072 QKOTXTGUHNVQBW-UHFFFAOYSA-N 331.375 4.209 0 40 EIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)N1CCc2ccccc21 5627186 VEDAWYFGSCAHLW-AWEZNQCLSA-N 334.444 4.305 0 40 EIAB CC[C@H](C)c1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5954061 OFOLNAZBRRZPJO-RGTCPLQGSA-N 343.467 4.124 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2c(s1)CCCC2 6652296 UYEZRVRCZQUPIQ-UHFFFAOYSA-N 339.416 4.148 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2)c(C)n1 6789055 NDKSMBUXAITWSP-UHFFFAOYSA-N 335.860 4.040 0 40 EIAB O=C1OC(c2cccs2)=N/C1=C\c1ccc(N2CCCCC2)s1 8179557 MDSZBDNJZLFRDO-QBFSEMIESA-N 344.461 4.144 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc2ccccc2c1 8226131 HDJYGLSVYROHOK-HNNXBMFYSA-N 336.410 4.438 0 40 EIAB CCOc1ccc2ccccc2c1CNCc1ccc(C(=O)O)cc1 8325137 JUDQCMNJKVTFSN-UHFFFAOYSA-N 335.403 4.227 0 40 EIAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2SC)c(OC)c1 8987607 YACXGZGIFUIGDA-QPJJXVBHSA-N 343.448 4.468 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1C 9457952 DCUZZXZVXPZQJT-CQSZACIVSA-N 337.375 4.234 0 40 EIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 9691857 SQHHJCXJWKGPON-LLVKDONJSA-N 335.762 4.088 0 40 EIAB S=C(Nc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10184201 MWJWSQUYZLSXSR-AWEZNQCLSA-N 336.464 4.139 0 40 EIAB CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ccccc3)oc12 12984089 YULUZSWOXSRMSG-CQSZACIVSA-N 338.407 4.392 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 15589821 WNKLTMNVOHFIPU-SFHVURJKSA-N 337.419 4.134 0 40 EIAB CC(=O)c1ccc(NC(=S)NCCSCc2ccccc2)cc1 18162790 FHWYKAZZDOCGTQ-UHFFFAOYSA-N 344.505 4.109 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1sc(-c2cccnc2)nc1C 20030112 JWVQEOMUJONURJ-UHFFFAOYSA-N 327.384 4.213 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)c1c(F)cccc1F 20478505 HHCGJQVFOWLMFG-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB Cc1cc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc(C)n1 24569044 FAVDDRCEWIFWKX-UHFFFAOYSA-N 349.459 4.491 0 40 EIAB CCCCC(=O)NC(=S)/N=c1\[nH]c2ccc(CCCC)cc2s1 32118960 PZUVLSSELZQFKK-UHFFFAOYSA-N 349.525 4.064 0 40 EIAB CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2C(=O)O)c1 40449482 MLRRJAYCCCXQNY-UHFFFAOYSA-N 327.380 4.077 0 40 EIAB COc1cc(OC)c(N[C@H](C)c2nc(C(C)C)no2)cc1Cl 40511795 SQPCGPFBBQELSE-SECBINFHSA-N 325.796 4.037 0 40 EIAB COc1ccc([C@H](CC(=O)Nc2cccc(OC)c2)C2CC2)cc1 40643797 QJOJSDZFAZYTEZ-LJQANCHMSA-N 325.408 4.226 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cn1 44639440 GZLCRESWVTZBKT-UHFFFAOYSA-N 339.773 4.112 0 40 EIAB COCCOCc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)c1 47591016 LSZWNTMMHLBLPU-CQSZACIVSA-N 348.468 4.136 0 40 EIAB Cc1nc(C)c(-c2nnc(NC(=O)Nc3ccccc3Cl)o2)s1 49449981 XKYCNMDSBFHAQA-UHFFFAOYSA-N 349.803 4.107 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2[nH]c3ccccc3c2Cl)no1 56631457 HFXXHLINCHATQZ-AWEZNQCLSA-N 329.787 4.095 0 40 EIAB COc1ccc(CNC(=O)[C@H](Sc2ccccc2)C(C)C)cc1 58341740 SWKIJYACHZJBCP-GOSISDBHSA-N 329.465 4.128 0 40 EIAB Cc1cc(O[C@H](C)C(=O)N2CCc3ccccc3C2)ccc1Cl 68937435 NYDINSSYHUREGQ-CQSZACIVSA-N 329.827 4.001 0 40 EIAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1nccc2ccccc12 69533252 MANKFJFFLDREAP-UHFFFAOYSA-N 346.365 4.027 0 40 EIAB CCSc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72217161 WBBSQWXIKCUNIA-UHFFFAOYSA-N 338.473 4.071 0 40 EIAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c3cn[nH]c3n2)cc1 72238794 ZOQKMZFXVHJRHU-UHFFFAOYSA-N 330.395 4.457 0 40 EIAB CCOc1ccc(NC(=O)NC(C)(C)c2nc(C)cs2)c(C)c1 72286665 URUHTLGYHQILIF-UHFFFAOYSA-N 333.457 4.215 0 40 EIAB c1ccc(Oc2ncccc2-c2noc(CCc3cccnc3)n2)cc1 74447840 OMVLNUMNCZRTQQ-UHFFFAOYSA-N 344.374 4.104 0 40 EIAB COC[C@](C)(NC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 75106253 BGUUQUZQFWTKQZ-KRWDZBQOSA-N 336.794 4.162 0 40 EIAB CC(=O)Nc1c(C)cc(NCc2cnc(C)n2-c2ccccc2)cc1C 84051395 NXWUCTZLDALBOF-UHFFFAOYSA-N 348.450 4.368 0 40 EIAB CCc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccncc2)o1 95960762 CHTDPCOXJUTNMW-SFHVURJKSA-N 326.440 4.314 0 40 EIAB C[C@H]1C[C@@H](NC[C@@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 95968959 FPMPWQIDAVKXIY-MQIPJXDCSA-N 344.505 4.389 0 40 EIAB Cc1cc(C)n(C[C@@H](C)CNC2c3ccccc3-c3ccccc32)n1 95996299 UHFWDTQEZAWODD-HNNXBMFYSA-N 331.463 4.496 0 40 EIAB O=C(Nc1ccccc1OC1CCCC1)N1CCC2(CCOCC2)C1 98014248 HUUCBVICGRYMQW-UHFFFAOYSA-N 344.455 4.042 0 40 EIAB C[C@H](NC(=O)c1cc2ccccc2nc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102134677 QBWRBKVNLZLQCG-ABHRYQDASA-N 328.843 4.443 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 108868672 BCRLLYGESUBULV-XDQVBPFNSA-N 332.469 4.249 0 40 EIAB CN(C)c1cccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)c1 211080434 LRDOHYJZIJPHLL-GOSISDBHSA-N 340.442 4.302 0 40 EIAB O=C(O)c1cn(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 216954940 VSJWNIIVQVTRDF-UHFFFAOYSA-N 334.158 4.335 0 40 EIAB Cn1c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc12 218826189 PYIRMHBQLYTZDF-UHFFFAOYSA-N 328.828 4.167 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)COc1ccccc1C 219317165 AEBPBETUQQJWMG-MJGOQNOKSA-N 341.451 4.045 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219566610 XFXHMRGXBQLHNT-FUHWJXTLSA-N 341.451 4.347 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccc(OC)c(Cl)c2)cc1 223282813 QSOBGWUEJWQTDA-UHFFFAOYSA-N 347.842 4.110 0 40 EIAB Cc1ccc(CSCC(=O)NCCOc2cc(C)ccc2C)cc1 223978595 XOTDSBQZOIMKJT-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2cccnc12 225892102 TXDWZSBLFVQXRC-FQEVSTJZSA-N 342.439 4.167 0 40 EIAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)c2ncccc12)C1CC1 225913512 YPRNFJPTWGGIIU-HXUWFJFHSA-N 342.439 4.167 0 40 EIAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257270305 MTQCSDIKYQERRB-IBGZPJMESA-N 347.418 4.028 0 40 EIAB CSc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 408595052 KEXBDRUJCBHKAW-UHFFFAOYSA-N 336.869 4.189 0 40 EIAB CCc1nnc2n1N=C(c1ccc(C3CCCCC3)cc1)CS2 409002128 MGFQYNHBEKMPDY-UHFFFAOYSA-N 326.469 4.246 0 40 EIAB O=C(NCc1ccc(-c2ccco2)o1)c1cccc(Br)c1 575609189 RAWRSHLLPCFTKB-UHFFFAOYSA-N 346.180 4.232 0 40 EIAB Cc1cc(C)n([C@H](CNC(=O)Nc2cccs2)c2ccsc2)n1 575614658 ZZFRILOKIJDBLJ-CQSZACIVSA-N 346.481 4.034 0 40 EIAB O=C(NCC(c1ccco1)c1ccco1)c1cccc(C(F)(F)F)c1 675007881 YTULBRAIJSKASN-UHFFFAOYSA-N 349.308 4.453 0 40 EIAB O=C(Nc1ccc(Br)cn1)c1ccc(Cl)cc1Cl 31368 UGRLOKOPIYNGCN-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB O=S(=O)(Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 255673 NMPXIDGTXDZPLM-UHFFFAOYSA-N 349.761 4.301 0 40 EIAB CCn1c(SCC(=O)c2ccccc2)nnc1C1CCCCC1 422363 QANHFZMZEGPXSC-UHFFFAOYSA-N 329.469 4.321 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 1859700 UGICRUJWCBDPMT-UHFFFAOYSA-N 330.384 4.475 0 40 EIAB COc1ccc(OC(F)(F)C(=O)Nc2cccc(Cl)c2C)cc1 3116790 SSOLWTSWJUASNA-UHFFFAOYSA-N 341.741 4.267 0 40 EIAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc3ccccc23)cc1 3172821 IKXQMGKMCKSBRQ-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 3333442 YCOGXTGDPNENDO-NSHDSACASA-N 325.305 4.264 0 40 EIAB CCN(C(=O)COC(=O)c1cccc2ccccc12)c1ccccc1 3365985 BHBREZSUXDHXHK-UHFFFAOYSA-N 333.387 4.050 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 3607534 PFYTZNJCPQWPHR-LBPRGKRZSA-N 334.213 4.164 0 40 EIAB CC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 3611453 PFVGVJOCEJEYHB-UHFFFAOYSA-N 333.840 4.415 0 40 EIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 3977934 IMONTRJLAWHYGT-BPIQYHPVSA-N 340.463 4.063 0 40 EIAB biogenic,in-man O=C(Nc1nnc(-c2ccccc2)s1)c1c(F)cccc1Cl 4079001 VYUDGEZCLSRGAN-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB Nn1cc(-c2ccccc2)nc1SCCCC(=O)c1cccs1 4251761 XIDOUCIZOGEQQU-UHFFFAOYSA-N 343.477 4.081 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)c(OC)c1 4275347 JMNOOJUKPSFEDO-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB O=C(CCCCN1CCCCC1)Nc1nc(-c2ccccc2)cs1 4481723 QDMASDCGDWIHML-UHFFFAOYSA-N 343.496 4.405 0 40 EIAB CCc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 4805788 SDDKTXFAYRLVCQ-UHFFFAOYSA-N 332.783 4.126 0 40 EIAB O=C1CCCC[C@H]1Sc1nn(-c2ccc(F)cc2)c(=S)s1 5175987 RBVOGULSVMAVGE-GFCCVEGCSA-N 340.470 4.406 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 5446863 LECIWVMMBWBHEY-LHZZTNLPSA-N 349.559 4.233 0 40 EIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1CCCC1 5689320 KXWKONFGCBIEIH-UHFFFAOYSA-N 326.362 4.434 0 40 EIAB O=C1COc2ccc(C(=O)CSc3ccc4ccccc4c3)cc2N1 5776205 ZTZZMRDQTUZRPC-UHFFFAOYSA-N 349.411 4.146 0 40 EIAB Cc1ccc(C2=N/C(=C\c3ccccc3OC(F)F)C(=O)O2)cc1C 5870424 ICTYBSQFRNARMB-GDNBJRDFSA-N 343.329 4.249 0 40 EIAB Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc(C)c1C 5980961 WLRSXSBMSDQVEF-UHFFFAOYSA-N 330.497 4.279 0 40 EIAB Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cc(C)on3)c2c1 6401270 JGIKKTMKAMYYQI-UHFFFAOYSA-N 344.374 4.154 0 40 EIAB COc1ccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 7652790 UWILENBWJHMEIQ-OAHLLOKOSA-N 336.435 4.188 0 40 EIAB Cc1nc(-c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cs1 7763274 ZZCMGMGFKMYZCH-UHFFFAOYSA-N 326.421 4.314 0 40 EIAB CCOC(=O)c1oc2ccc(NC(=O)C3CCCCC3)cc2c1C 8769071 MELLOVWYKWAMBS-UHFFFAOYSA-N 329.396 4.437 0 40 EIAB biogenic CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C)cc1 9462680 JDBGVPYALAOODW-UHFFFAOYSA-N 348.446 4.279 0 40 EIAB CC(=O)c1sc(NC(=O)CCCSc2ccc(C)cc2)nc1C 10217876 WKPITTKIPHZSLR-UHFFFAOYSA-N 348.493 4.474 0 40 EIAB O=C1NC2(CCCCC2)[C@@H]2CCCC[C@]2(O)N1c1ccc(Cl)cc1 12322824 XVTCQWXQPXUOLT-QFBILLFUSA-N 348.874 4.451 0 40 EIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2c(C)cccc2C)cc1 12935889 XFVISXMYPPKEJF-LJQANCHMSA-N 338.451 4.088 0 40 EIAB NC(=O)c1cc(-c2csc(Nc3ccc(Cl)cc3)n2)ccc1O 13141369 UNQDQUHKTKWNPG-UHFFFAOYSA-N 345.811 4.012 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(Cl)c1 14008946 MJSQKDRIJVNMBD-OAHLLOKOSA-N 333.815 4.453 0 40 EIAB CCCC(=O)Nc1nc(-c2cn(C)nc2-c2ccc(F)cc2)cs1 19697080 FEXYPEGOTHELFI-UHFFFAOYSA-N 344.415 4.088 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 21596421 ZXXAUBSSJWKEKT-UHFFFAOYSA-N 332.856 4.338 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(-n2cccc2)cc1 28221069 FXBRZXCKXGNZQE-CYBMUJFWSA-N 326.346 4.247 0 40 EIAB CCc1ccc2nc(NC(=O)COc3cc(C)cc(C)c3)sc2c1 28284454 KVDORCQLAGREES-UHFFFAOYSA-N 340.448 4.493 0 40 EIAB Cc1cccc(CS(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c1 30869858 SMQBRPIJOXLPBH-IBGZPJMESA-N 331.481 4.202 0 40 EIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2cc(C)ccc2[nH]1 32753145 UYDCIJVIUGIIOT-UHFFFAOYSA-N 340.398 4.286 0 40 EIAB C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(F)c(F)c1 32845192 WMKAMUUEYFHRRJ-UWVGGRQHSA-N 340.320 4.364 0 40 EIAB O=C(c1ccc2cn[nH]c2c1)N1CCC[C@H]1c1nc2ccccc2s1 32901051 IDJZHFAWKGHFRK-INIZCTEOSA-N 348.431 4.150 0 40 EIAB O=C(COc1ccccc1)Nc1ccc(N2CCc3ccccc32)cc1 32933502 YHDFUTQVISGORG-UHFFFAOYSA-N 344.414 4.398 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccc(F)cc2F)C1 36366303 YIKPRLBKOQHVEB-LBPRGKRZSA-N 343.308 4.413 0 40 EIAB CC(C)c1ccc(NC(=O)CCc2nc(Cc3ccccc3)no2)cc1 36391466 JEFLJNLSNSIMIS-UHFFFAOYSA-N 349.434 4.355 0 40 EIAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCCCCC1 40086471 IKAIAYGZWSLQHD-UHFFFAOYSA-N 337.467 4.293 0 40 EIAB CCc1cccc(CC)c1NC(=O)N(C)Cc1ccc(OC)cc1 40098979 ZSRCHNKEVLVNAW-UHFFFAOYSA-N 326.440 4.484 0 40 EIAB c1ccc(CNc2nc(NCc3cccnc3)nc3ccccc23)cc1 41151164 VKWFBJXRFWRFHJ-UHFFFAOYSA-N 341.418 4.249 0 40 EIAB COc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)nc1C 44676318 LGMXVXBDNJPTBQ-UHFFFAOYSA-N 325.290 4.061 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1SC 44945666 BEEDMTPCXAMCOY-MRXNPFEDSA-N 331.437 4.213 0 40 EIAB CC(C)c1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315940 HBIWMLZDZOAPDO-UHFFFAOYSA-N 325.437 4.192 0 40 EIAB CC(C)(C)C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 58246190 VAKAQQKBABNNHY-UHFFFAOYSA-N 342.266 4.461 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCO4)cn2)cc1 58366173 NUHUIRXIRHAYQC-UHFFFAOYSA-N 346.386 4.370 0 40 EIAB CCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 64580982 IWVZHLLITXYPPH-UHFFFAOYSA-N 341.798 4.177 0 40 EIAB O=C(Nc1ccc2ncccc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 65493587 SNIYTNUQEAIGCI-IBGZPJMESA-N 348.402 4.045 0 40 EIAB COc1ccc(CNCc2sc(-c3ccccc3)nc2C)cc1O 67011822 HXNDBRVIBRRXQV-UHFFFAOYSA-N 340.448 4.123 0 40 EIAB COc1cccc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)c1 69741423 PNUXBXRUGZZWAS-IEBWSBKVSA-N 339.460 4.076 0 40 EIAB CSc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72216877 PVTYSBJXDGBWJZ-MRXNPFEDSA-N 328.437 4.277 0 40 EIAB Cc1ccc(C(=O)NCCc2c(C)[nH]c3c(C)ccc(C)c23)s1 72265347 QYDGEICOPKDXOY-UHFFFAOYSA-N 326.465 4.436 0 40 EIAB Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccccc3)n2)nc1 72377358 DZRSPYJIVNKOLB-IBGZPJMESA-N 345.450 4.261 0 40 EIAB Cc1nnc(-c2ccccc2NC(=O)C/C=C/c2ccc(F)cc2)o1 75092268 TXYZEVRTOQGOSI-SNAWJCMRSA-N 337.354 4.226 0 40 EIAB Cc1ccc(C)c(C(=O)c2ccc(CN3CCSCC3)cc2)c1 85651262 MISFZSXYERWELH-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB CCOc1cc(CNCc2cc(F)cc3cccnc23)ccc1OC 89990991 ZJTGDWFHBHNWPQ-UHFFFAOYSA-N 340.398 4.071 0 40 EIAB CC(=O)N(C)c1cccc(NCc2ccc(-c3ccncc3)cc2F)c1 95434072 DXXAPOOUTMBNCF-UHFFFAOYSA-N 349.409 4.483 0 40 EIAB COc1ccc([C@H](OC)[C@@H](C)NCc2cnc(C(C)(C)C)s2)cc1 95459057 KNTBNDQNQAETKB-CXAGYDPISA-N 348.512 4.315 0 40 EIAB COC1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1 96104512 PXCFLVMQQVSHMZ-UHFFFAOYSA-N 343.402 4.085 0 40 EIAB O=C(CSCc1cscn1)Nc1cc(Cl)c(O)c(Cl)c1 96503180 UQTIUAZQMSGSIM-UHFFFAOYSA-N 349.264 4.027 0 40 EIAB O=C1NC(=O)c2ccccc2/C1=C/c1cc(-c2cccs2)cs1 97073506 YDFJUFKTTDLRNN-DHDCSXOGSA-N 337.425 4.287 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)c(OC)c1 113970203 DGAKMNSPWQPMFX-MRXNPFEDSA-N 343.423 4.117 0 40 EIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222868555 VIVVASBDNMDMCC-SJORKVTESA-N 342.512 4.021 0 40 EIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 224423832 GDGKWYOGOYVCKB-INIZCTEOSA-N 345.870 4.391 0 40 EIAB COc1ccc(Cl)cc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 225040113 PEMRKGLEJYVICD-HNNXBMFYSA-N 345.826 4.381 0 40 EIAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1ccc(Cl)cc1 225247753 HKUZNAIOMUMBSF-OQLLNIDSSA-N 334.828 4.132 0 40 EIAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCc4ccco4)cc3)nc2c1 225260690 ZLWBEKSPZNECAK-UHFFFAOYSA-N 331.375 4.061 0 40 EIAB CCc1ccc(CC(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 225355772 HRZNOAHGSPHKLL-SFHVURJKSA-N 341.451 4.076 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 263598221 HQSMCZUWNSZKIC-LFERKSGWSA-N 328.452 4.370 0 40 EIAB CCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 408560981 SPUCHNXPIPJRJY-UHFFFAOYSA-N 346.500 4.012 0 40 EIAB OCC1([C@@H](NCc2cnc(C3CC3)s2)c2ccccc2)CCC1 576845691 IZOXTUBJLSTYIH-KRWDZBQOSA-N 328.481 4.014 0 40 EIAB O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 585123570 CQGRQRQNNZIFQW-UYAOXDASSA-N 345.446 4.277 0 40 EIAB O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 1584925142 QWKVKROCODADFX-KZNAEPCWSA-N 327.355 4.124 0 40 EIAB Cc1cc(C)c(N2C(=O)c3ccc(Br)cc3C2=O)c(C)c1 32096 SJNQJOYSOWIMTI-UHFFFAOYSA-N 344.208 4.175 0 40 EIAB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2)c1 512460 FOZRRSASBNVDRZ-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)CC2=O 1056924 MUGZYQVSRITIFW-IAGOWNOFSA-N 339.357 4.429 0 40 EIAB O=C(Nc1cccc(NC(=O)C2CCCCC2)n1)C1CCCCC1 1508597 SNILTEBPNNZHKI-UHFFFAOYSA-N 329.444 4.119 0 40 EIAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Cl)c1 1869734 BNVZZAOYMJQJAH-UHFFFAOYSA-N 345.132 4.234 0 40 EIAB CCOC(=O)c1sc(=S)n(-c2ccc(Cl)c(Cl)c2)c1N 2576546 XIQXCLCXXOGZEX-UHFFFAOYSA-N 349.264 4.334 0 40 EIAB Cc1cc2cc(CNC(=O)c3ccc(OC(C)C)cc3)ccc2n1C 4061487 ITFUIHIBRHDIOP-UHFFFAOYSA-N 336.435 4.204 0 40 EIAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccoc1C 4399684 XYPZGYHFCWNARO-UHFFFAOYSA-N 341.436 4.150 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1 5485832 XVOHUUFSPNKHTH-UHFFFAOYSA-N 339.370 4.426 0 40 EIAB O=C(COc1ccc(F)cc1Br)c1c[nH]c2ccccc12 5938002 KRFLMLLYLRMPAP-UHFFFAOYSA-N 348.171 4.331 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1nonc1-c1ccc(F)cc1 6719930 QQFILMSDGVMEON-JXMROGBWSA-N 343.745 4.181 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nonc1-c1cccs1 6755005 MVTBMWVNFONHJS-VMPITWQZSA-N 331.784 4.103 0 40 EIAB CCc1ccc(NC(=S)NCCSCc2ccccc2)cc1 7369737 FFCCERUFNCUJKF-UHFFFAOYSA-N 330.522 4.469 0 40 EIAB COc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 7997222 BVCRXINPAXUNDC-UHFFFAOYSA-N 344.461 4.370 0 40 EIAB CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1 8719568 RHDDWDBLJWVMKQ-FQEVSTJZSA-N 349.434 4.154 0 40 EIAB Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c(C)o1 9255952 WEBYRFROYHLWLG-UHFFFAOYSA-N 329.787 4.047 0 40 EIAB CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc3ccccc3c2)c1 9494751 ZUORDKQJVCCBQI-UHFFFAOYSA-N 332.403 4.070 0 40 EIAB CCCCS(=O)(=O)Nc1ccc2oc3c(c2c1)C(=O)CC(C)(C)C3 11615807 JEHVMUJWVCMETN-UHFFFAOYSA-N 349.452 4.130 0 40 EIAB O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Cl)cc1 11693142 YXTGRUWTDMLSCR-UHFFFAOYSA-N 330.746 4.315 0 40 EIAB O=C(CCNc1cccc(Cl)c1)c1cc2ccccc2oc1=O 12360296 YTDGIHJQUMBTMY-UHFFFAOYSA-N 327.767 4.131 0 40 EIAB biogenic,in-vitro Cc1ccc2[nH]c(=O)c(CNc3ccccc3C(F)(F)F)cc2c1 12492468 OPACCDONOKJVMR-UHFFFAOYSA-N 332.325 4.467 0 40 EIAB Cc1ccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c(C)c1 12618849 XRNRRMDVKWDSNP-XYOKQWHBSA-N 334.419 4.082 0 40 EIAB O=C(Nc1cc(F)ccc1F)c1cc(C2CC2)nn1-c1ccccc1 12812810 FZQQDZXIHPKRSN-UHFFFAOYSA-N 339.345 4.280 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC 12822001 XPGQELZWSFLNMX-UHFFFAOYSA-N 348.402 4.327 0 40 EIAB CC(C)n1ncc2cc(C(=O)Oc3cccc4ccccc34)cnc21 12903280 CLGFWXDJHYGQBX-UHFFFAOYSA-N 331.375 4.385 0 40 EIAB O=C(Cc1c(F)cccc1Cl)Nc1nc2c(s1)CCCCC2 14554166 UOLZIXDFEOAGHI-UHFFFAOYSA-N 338.835 4.386 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1 16780135 QYVLOQRVWOGRHO-SNVBAGLBSA-N 330.236 4.033 0 40 EIAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 17115804 RETBMAXCLLXILU-UHFFFAOYSA-N 337.250 4.378 0 40 EIAB CCN(CC)CCN(CC)C(=O)Nc1ccc(Cl)c(Cl)c1 19074491 QNZZCOBNOHLVIM-UHFFFAOYSA-N 332.275 4.189 0 40 EIAB CC(C)c1ccc(Nc2nn3c(=O)c4ccccc4nc3s2)cc1 20644797 VHEUKPZADIHMLQ-UHFFFAOYSA-N 336.420 4.171 0 40 EIAB O=C(NCC1CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 22972018 ZXYYSSVOGCTNCY-UHFFFAOYSA-N 336.313 4.033 0 40 EIAB Cc1cc(=O)oc2cc(Oc3ncnc4ccccc34)c(Cl)cc12 24058166 LGZFDOLVGDCEQN-UHFFFAOYSA-N 338.750 4.490 0 40 EIAB C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24664059 QQSBFCYTIJKPHG-HZPDHXFCSA-N 349.434 4.034 0 40 EIAB O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)C(=O)c1ccccc1-2 25769325 HVHJWVWHDODIAS-UHFFFAOYSA-N 346.411 4.096 0 40 EIAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 29630528 CDCKBCMDYMSVDN-UHFFFAOYSA-N 349.814 4.146 0 40 EIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl 33028468 VOCSSNYFVUIOAV-GFCCVEGCSA-N 343.279 4.088 0 40 EIAB Cc1ccc2c(ccn2CCC(=O)NCCc2c[nH]c3ccccc23)c1 40312640 QTBIJJZDMLBAII-UHFFFAOYSA-N 345.446 4.180 0 40 EIAB biogenic COc1cc(C)c(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1OC 43403886 UFJDTBFNXPRJEC-AWEZNQCLSA-N 328.412 4.237 0 40 EIAB Cc1noc([C@@H](C)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 44585373 MTLXDKGOZYFZRO-RDTXWAMCSA-N 346.434 4.342 0 40 EIAB CSc1cccc(NC(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)c1 58330751 PWFPMZFUHZYLAM-KBXCAEBGSA-N 335.517 4.041 0 40 EIAB Cc1nc(-c2ccccc2)n(CCCOc2ccc(Cl)cc2)n1 60349597 NUPHYLQIESRTOS-UHFFFAOYSA-N 327.815 4.376 0 40 EIAB Cc1cc(NC(=O)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc2)no1 65586429 PRESOVRBDLIODM-VGDUNAEUSA-N 341.455 4.077 0 40 EIAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H](c2ccccc2)CC1 66763380 KUBQQBASUVUSBJ-QGZVFWFLSA-N 347.418 4.147 0 40 EIAB C[C@@H](Sc1ccnc2ccccc12)c1nc2ccccc2c(=O)[nH]1 68274590 PGJMNHDFUHLAGY-GFCCVEGCSA-N 333.416 4.325 0 40 EIAB CCOC(=O)Nc1cccc(NC(=O)c2c(C)noc2C(C)C)c1C 70039067 VWPNBGUDGHOWDM-UHFFFAOYSA-N 345.399 4.236 0 40 EIAB CCOC(=O)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 70461563 UUQFZFPPRZLDHE-UHFFFAOYSA-N 346.180 4.434 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2c[nH]c3ccccc23)s1 71883135 FCQMZLFBFBXSKF-LBPRGKRZSA-N 327.453 4.003 0 40 EIAB CCc1cccc(C)c1NC(=O)Nc1cccc(COCCOC)c1 72282497 GJZVNRYISMPXEA-UHFFFAOYSA-N 342.439 4.364 0 40 EIAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCCc1ccccc1 80343680 RTASGGRFQFKLCH-UHFFFAOYSA-N 340.810 4.276 0 40 EIAB Cc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 82158176 NSVSSRJCISXAAV-FMIVXFBMSA-N 335.432 4.474 0 40 EIAB COc1ccc(-c2n[nH]cc2CNc2ccc(-c3cnco3)cc2)cc1 89453971 ZNELCEYKLXYIHE-UHFFFAOYSA-N 346.390 4.352 0 40 EIAB Cc1ncc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)s1 96418111 WGYVQFNFAFUZET-UHFFFAOYSA-N 345.468 4.232 0 40 EIAB CC/C=C(\C)C(=O)N(CC)[C@H](c1ccc(OC)cc1)c1cccnc1 98009993 IWWIJSGREJPBCB-MOWFPQLSSA-N 338.451 4.384 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1 113950497 BYSHRAAEACSPPX-MRXNPFEDSA-N 338.234 4.467 0 40 EIAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC4(CC[C@]3(C)[C@H]1C(=O)C2)OCCO4 118940831 ZQDFDIIVEXMNKF-YZOVGUKHSA-N 332.484 4.341 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCS[C@@H](c2ccccc2)CC1 211142476 OVQBIMHWIXKNCB-GOSISDBHSA-N 329.440 4.075 0 40 EIAB O=C(Nc1ccn2nccc2c1)NC(c1ccccc1)c1ccccc1 217960869 XSAHLOZVLADZFK-UHFFFAOYSA-N 342.402 4.245 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccccc2)cc1 218931793 GUWRPHXNENFWJK-UHFFFAOYSA-N 325.452 4.112 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCS[C@@H](c2cccs2)CC1 219480202 GZGFLNMMMIIRTE-OAHLLOKOSA-N 339.432 4.347 0 40 EIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1C 224369512 KMWFIJBKZLGUTJ-UHFFFAOYSA-N 341.451 4.359 0 40 EIAB Cc1ccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1C 225094670 PWCXRYVUGRYNIY-MRXNPFEDSA-N 338.325 4.397 0 40 EIAB COc1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)cc1 225346603 GWETZKPNWKWZQC-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB CSc1ccccc1C(=O)Nc1nnc(SCC(C)C)s1 225400757 IOUNUFHPEGGGDA-UHFFFAOYSA-N 339.511 4.260 0 40 EIAB Cc1nc(C)c(CN2CCC(c3noc4cc(F)ccc34)CC2)s1 289802829 NAQFUHLTZIUMKQ-UHFFFAOYSA-N 345.443 4.420 0 40 EIAB CCOC(=O)c1ccc(OC(F)(F)C(F)(F)[Si](C)(C)C)cc1 1083805697 PQBOCSSPDFCDSW-UHFFFAOYSA-N 338.373 4.348 0 40 EIAB Cc1ccc(C(=O)c2cn(CC(C)C)c3ccc(F)cc3c2=O)cc1 1889056397 LGBKYABTGXTQFJ-UHFFFAOYSA-N 337.394 4.336 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1cccc2nsnc12 104061 GYSHYZUVPGSHQE-UHFFFAOYSA-N 335.388 4.105 0 40 EIAB Cc1ccccc1Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 201026 KBHOGEHCZUCQBG-UHFFFAOYSA-N 349.478 4.098 0 40 EIAB Cc1nc(NC(=O)c2ccccc2Cl)ccc1Br 359965 WEISXPFSFXXYTB-UHFFFAOYSA-N 325.593 4.058 0 40 EIAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1 426503 UMCBDNWTKMPRBA-UHFFFAOYSA-N 345.406 4.130 0 40 EIAB Cc1ccccc1CSc1nc2sc(C)c(C)c2c(=O)n1C 531357 RROAQYCMXYPPQT-UHFFFAOYSA-N 330.478 4.213 0 40 EIAB Clc1ccc(COn2c(-c3ccccc3)nc3ncccc32)cc1 1396601 JWMPAVZKDIGBTM-UHFFFAOYSA-N 335.794 4.381 0 40 EIAB O=C(CCSc1ccc2ccccc2n1)Nc1ccc(F)cc1 2502419 KKSOEURMPJEPTR-UHFFFAOYSA-N 326.396 4.495 0 40 EIAB Cc1cccc(OCCCCn2c(CCCO)nc3ccccc32)c1 3648955 SXBZYOMCZZVYAL-UHFFFAOYSA-N 338.451 4.129 0 40 EIAB O=C(CNc1cccc(NCC(=O)c2ccccc2)c1)c1ccccc1 3845246 CIBOXXQTSNQZER-UHFFFAOYSA-N 344.414 4.276 0 40 EIAB biogenic O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 4166960 WSIJDZDBONGNHQ-UHFFFAOYSA-N 342.851 4.436 0 40 EIAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 4451622 CJZKZPCDYJENAU-LPHOPBHVSA-N 333.416 4.385 0 40 EIAB CC[C@]1(O)CCC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 4683797 XFKKWOBQJWQESO-WBVLQXODSA-N 346.511 4.308 0 40 EIAB COc1ccccc1[C@H](C(=O)c1ccccc1)[C@@H]1CN2CCC1CC2 4899093 MQNXBEOUQSAJES-CTNGQTDRSA-N 335.447 4.004 0 40 EIAB COc1cc2nc(NC(=O)c3ccc(C)c(C)c3)sc2cc1OC 5187328 WTFZWCQTBZVBHS-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB CCOc1cc(-c2n[nH]c(=S)n2CC(C)C)ccc1OC(F)F 6892312 LOLQUCBPTFVYDS-UHFFFAOYSA-N 343.399 4.264 0 40 EIAB Cc1nnc2c3ccccc3nc(Nc3cccc(C(F)(F)F)c3)n12 7500014 JSWKWQOJGZZFRT-UHFFFAOYSA-N 343.312 4.348 0 40 EIAB O=C(OC/C=C/c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 7791997 NVZYETIQCULMRR-XBXARRHUSA-N 347.370 4.402 0 40 EIAB CN(Cc1ccc(Br)cc1)C(=O)c1cc2ccccc2[nH]1 8029040 LTSLICYOQAMXRV-UHFFFAOYSA-N 343.224 4.203 0 40 EIAB COc1cccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)c1 9478542 LSEWQOHCQPDHFH-OAHLLOKOSA-N 341.436 4.144 0 40 EIAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccn1 12325030 HTNDOMWGHXIGCD-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1 12523589 QTYGEFZWIUHYPX-CQSZACIVSA-N 344.842 4.346 0 40 EIAB CC(C)c1ccc(CN(C)[C@H](C)C(=O)NCc2cccs2)cc1 12767476 FRSZFMJMNNWBIN-OAHLLOKOSA-N 330.497 4.008 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)[C@@H](C)c1ccccc1 12809737 OOPCQOIFJUDXAX-AWEZNQCLSA-N 337.448 4.347 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 12818311 FLUUPZWKRQZSCP-MRXNPFEDSA-N 325.408 4.114 0 40 EIAB Cc1cc(C(=O)CN(C)Cc2ccco2)c(C)n1Cc1ccccc1 12820341 QUSJBVABGYMNOA-UHFFFAOYSA-N 336.435 4.061 0 40 EIAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 12942306 GUOWDPYRQXKBPR-CQSZACIVSA-N 339.464 4.236 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13012289 WPAKKAADQIZZJJ-OAHLLOKOSA-N 333.387 4.448 0 40 EIAB CCOc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 13132341 OKCWYSCYQJCNJK-MOPGFXCFSA-N 334.423 4.132 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)cc1C 13391242 CTDJKJFMZYAKLH-UHFFFAOYSA-N 335.359 4.107 0 40 EIAB CCOC(=O)Nc1sc(NC(=O)C(C)C)nc1-c1ccc(C)cc1 13655565 RKRPHHFMXVCDDT-UHFFFAOYSA-N 347.440 4.281 0 40 EIAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 14020428 MQFYCFFTFIIGFQ-UHFFFAOYSA-N 342.445 4.255 0 40 EIAB CSCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 14377362 DWDIMPKXCKWNGD-UHFFFAOYSA-N 330.434 4.390 0 40 EIAB Oc1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1 17071344 BQCWTDXWUMDLSM-UHFFFAOYSA-N 341.263 4.228 0 40 EIAB O=C(COc1ccc2ccccc2c1)OCc1cc(-c2ccco2)on1 18247119 XWBOFRQEQMIYIL-UHFFFAOYSA-N 349.342 4.210 0 40 EIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 19932136 WZDKUNOYBYOXRV-QGZVFWFLSA-N 341.451 4.094 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 20495323 ZUASIRYLTMTPJD-HNAYVOBHSA-N 329.415 4.477 0 40 EIAB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1N1CCCC1 22645285 IYGVYZVDRNHHJV-UHFFFAOYSA-N 333.435 4.189 0 40 EIAB C/C=C/c1cc(C(=O)N(CC)c2ccccc2)cc(OC)c1OC 26857915 FMXITMBHWLYDRN-BJMVGYQFSA-N 325.408 4.404 0 40 EIAB Cc1cc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)c(C)o1 27920749 LAGFKWSKOJTXSJ-UHFFFAOYSA-N 329.787 4.047 0 40 EIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1 32585599 YLIBJNBHUIDZAS-UHFFFAOYSA-N 339.844 4.020 0 40 EIAB CCN(Cc1cccc(F)c1)C(=O)c1oc2ccccc2c1COC 32722628 LYFGGJYUSJXLNQ-UHFFFAOYSA-N 341.382 4.381 0 40 EIAB O=C(NCCCSc1ccc(F)cc1)c1c[nH]c2ccccc12 32736275 RRMZIXABFPVHNJ-UHFFFAOYSA-N 328.412 4.219 0 40 EIAB O=C(Nc1ccccc1O)c1ccccc1C(=O)c1ccc(F)cc1 32753450 STODNRLLAYTNRA-UHFFFAOYSA-N 335.334 4.015 0 40 EIAB O=C(NCCCNC1CCCCC1)Nc1cccc2ccccc12 32824185 ZSDDGDQAEXLYRG-UHFFFAOYSA-N 325.456 4.274 0 40 EIAB COC(=O)c1ccccc1N(C)C(=O)c1ccc(Cl)c(Cl)c1 36396197 XMERQOVYOAEVKK-UHFFFAOYSA-N 338.190 4.057 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccnn1C1CCCC1 40062704 QWWBANHAOMVRPC-UHFFFAOYSA-N 342.424 4.275 0 40 EIAB CCN(C(=O)c1cc(-c2ccccc2OC)on1)c1ccc(F)cc1 40087719 NRKPCOBORGLODS-UHFFFAOYSA-N 340.354 4.156 0 40 EIAB C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 40103181 UBMBDDYRHUUVOD-VIFPVBQESA-N 342.292 4.449 0 40 EIAB CCN(CC)Cc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1 40145457 FTNSVMYJUHBXAW-UHFFFAOYSA-N 347.409 4.128 0 40 EIAB COc1cccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c1 44508911 AUKQIEMOQNKGQN-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1cccc(OCc2ccccc2)c1 49545852 LLBPWXAMGDTYQY-KRWDZBQOSA-N 333.391 4.123 0 40 EIAB CCOC(=O)N[C@@H](SC1CCCCC1)C(Cl)(Cl)Cl 57291952 AWOLRTKJORFZGB-VIFPVBQESA-N 334.696 4.495 0 40 EIAB COC(=O)Nc1ccc(OCc2ccc(F)c3cccnc23)cc1 58402275 RBXHCVSDTFJPGL-UHFFFAOYSA-N 326.327 4.131 0 40 EIAB O=C(c1cc2ccccc2o1)N(Cc1ccccn1)Cc1ccco1 62018009 RQCFRABOFDCDDF-UHFFFAOYSA-N 332.359 4.263 0 40 EIAB C[C@@H](NC(=O)C1CCOCC1)c1ccccc1Oc1ccccc1 65603555 YTRFMHZEZCKMGL-OAHLLOKOSA-N 325.408 4.083 0 40 EIAB CC1CCC(N(C)Cc2nc(O)c3oc4ccccc4c3n2)CC1 67443740 MTVQKRVBKNYBBI-UHFFFAOYSA-N 325.412 4.092 0 40 EIAB COc1cccc(NC2CCN(C(=O)Nc3cccc(C)c3)CC2)c1 69698215 FLCHAGIYMOGDBH-UHFFFAOYSA-N 339.439 4.112 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)NCCCc2ccccc2)cc1 72329189 LHJGXQVYRSOAJR-UHFFFAOYSA-N 333.435 4.002 0 40 EIAB O=C(NCCN1CCC(c2cccs2)CC1)c1ccc(Cl)cc1 77103945 LBVYGYQKTUZQLT-UHFFFAOYSA-N 348.899 4.011 0 40 EIAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)cccc2C)cc1OC 77495567 XCLQUOALJNMJOU-CQSZACIVSA-N 345.464 4.440 0 40 EIAB COc1ccccc1-c1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)[nH]n1 84671098 QQRSQPIMRFKMIB-KSSFIOAISA-N 339.439 4.262 0 40 EIAB COc1cc([C@@H](C)N[C@@H](C)Cc2c(C)noc2C)ccc1SC 95422814 LDNHWBJJLJCOLE-NWDGAFQWSA-N 334.485 4.304 0 40 EIAB Oc1cccc(CNc2cccc(CSC3CCOCC3)c2)c1 95429214 MCJYHNRJLRUDRB-UHFFFAOYSA-N 329.465 4.417 0 40 EIAB O=C(O)[C@@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1Cl 95917895 ACWIYJUUHYNPFI-HNNXBMFYSA-N 340.181 4.321 0 40 EIAB CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(N2CCOC2=O)c1 95959710 FWWMRJAAQSOPBC-HNNXBMFYSA-N 330.428 4.188 0 40 EIAB c1csc(CN2CCC3(CCN(Cc4ccncc4)CC3)CC2)c1 96047194 ODZALOTUMCKRNK-UHFFFAOYSA-N 341.524 4.021 0 40 EIAB C[C@@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1ccncc1 96466964 DYVOLKWLEFEFHT-CQSZACIVSA-N 327.403 4.046 0 40 EIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccccc1 96759159 WZYVKIWBESKODT-RAXLEYEMSA-N 342.320 4.360 0 40 EIAB Cc1cc2c(cc1C)NC1=C(O)[C@H](c3ccc4c(c3)OCO4)OC1=N2 104239995 XNLLRYZDEPHYEY-SFHVURJKSA-N 336.347 4.029 0 40 EIAB Cc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 113942863 HOBBASHIVKPGNA-HNNXBMFYSA-N 331.843 4.349 0 40 EIAB C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23CN1C 118936472 PBPLSRQRDBOFMK-YJLMOEKASA-N 327.512 4.138 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)(F)F)cc1 206758420 RWNOFOKOSJUHGM-ONXXMXGDSA-N 345.386 4.084 0 40 EIAB Cc1ccsc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214346163 XVMLYEDGHZAWLH-RIYZIHGNSA-N 333.409 4.432 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc2ccccc12 222877621 NTPBFUWMBRDJSD-LJQANCHMSA-N 349.430 4.322 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1F 223250991 IFDNIPZQXGCXKX-GFCCVEGCSA-N 331.362 4.250 0 40 EIAB CC[C@H](NC(=O)CSc1ccccc1)c1ccc(OC)c(C)c1 224190342 QUZCBXGOLYUKPA-KRWDZBQOSA-N 329.465 4.363 0 40 EIAB CCCc1ccc(OCCNC(=O)CCc2ccc(C)c(C)c2)cc1 225195021 CCYLKGCTZJUIEY-UHFFFAOYSA-N 339.479 4.384 0 40 EIAB CC1(C)C[C@H](NC(=S)Nc2cccc(F)c2)c2ccccc2O1 225576788 VIKSELBECVGNAN-HNNXBMFYSA-N 330.428 4.415 0 40 EIAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1 225595237 CSGBCDVNQLSTGP-QGZVFWFLSA-N 335.444 4.200 0 40 EIAB COC(C)(C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225600504 DVECAPRYGCADGN-UHFFFAOYSA-N 327.424 4.246 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccccc1OC 225885469 NJEFLWHPVKYTCA-WMZOPIPTSA-N 341.451 4.347 0 40 EIAB O=C(O)/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 226322473 UHKDYDQCUXUOJN-QPJJXVBHSA-N 336.174 4.344 0 40 EIAB CCCn1nccc1-c1cc([C@H]2CCCN2C(=O)C(C)(C)C)ccn1 257278105 OAUMGQIHWNUPIC-QGZVFWFLSA-N 340.471 4.065 0 40 EIAB CC(C)c1nc2c(n1CC1CC1)C1(CCNCC1)Oc1ccccc1-2 306137286 QRVLZVBRRBTITD-UHFFFAOYSA-N 337.467 4.055 0 40 EIAB O=C(Cc1ccccc1Cl)NC[C@@H](c1ccsc1)c1ccco1 675007843 UNBGZEJTSFPGGX-HNNXBMFYSA-N 345.851 4.485 0 40 EIAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccccc1Cl)CC2 319581 SHODAIZAJAKWNR-LBPRGKRZSA-N 345.826 4.117 0 40 EIAB biogenic Cc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1Cl 359167 LMVATTSRSWLCLB-UHFFFAOYSA-N 332.856 4.094 0 40 EIAB CC[C@H](Sc1nnc(C)s1)C(=O)Nc1ccc(Cl)cc1 467351 NTMZAZRFNRAYGZ-NSHDSACASA-N 327.862 4.009 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccccc1 568795 BNXHYYKNXTUXSU-CQSZACIVSA-N 342.464 4.092 0 40 EIAB CCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1 882042 VCHAPIJBJGACKH-UHFFFAOYSA-N 338.432 4.242 0 40 EIAB CCCc1cc2c(cc1COC(=O)c1ccc(OCC)cc1)OCO2 1698367 OLNOIZQYSYHFMM-UHFFFAOYSA-N 342.391 4.124 0 40 EIAB O=C(c1cccc(Cl)c1)c1cccc(I)c1 2392540 WQXXLXCQGLENBQ-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 3153232 CLAWLKXFKCFUEE-UHFFFAOYSA-N 349.228 4.275 0 40 EIAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 3324839 FMVGKMQIJIVCBZ-UHFFFAOYSA-N 341.238 4.138 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCCc2ccccc21 3359825 DFIFNYVDELTLFT-HXUWFJFHSA-N 345.446 4.297 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1 3392458 SQWMEZOEQKVFEU-CQSZACIVSA-N 341.407 4.004 0 40 EIAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 3564292 YYYHFBPUCWEBBZ-ZDUSSCGKSA-N 329.396 4.017 0 40 EIAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1 4276174 KDUQPXMXHNBKCG-UHFFFAOYSA-N 333.269 4.008 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4947921 AIEJHOKPOVBUOQ-NWANDNLSSA-N 338.469 4.217 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1cc2cc(Cl)ccc2oc1=O 5428253 PYYHXWXRVBMSEC-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB Cc1ccc2nc(CSc3ccc4ccccc4c3)cc(=O)n2c1 5775911 UUHUPTNLGFXMLC-UHFFFAOYSA-N 332.428 4.448 0 40 EIAB COc1ccc(-c2nnc(SCc3ccccc3Cl)n2C)cc1 5848653 POTREMSLDAMDPO-UHFFFAOYSA-N 345.855 4.436 0 40 EIAB CCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OC 6339986 SALWPNBCFIQYHA-RIYZIHGNSA-N 329.783 4.240 0 40 EIAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 7671749 PNUFLKDIQMPYIN-JTQLQIEISA-N 343.295 4.404 0 40 EIAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc2c(c1)CCCC2 8268753 AATMNMLVJLCKKE-CQSZACIVSA-N 334.419 4.127 0 40 EIAB O=C(NCc1ccccc1OC(F)F)Nc1nc2ccccc2s1 10465033 VTXIJADGXYYYNS-UHFFFAOYSA-N 349.362 4.219 0 40 EIAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544984 ALDGWCBZQZRAPD-LLVKDONJSA-N 345.855 4.298 0 40 EIAB O=C(Nc1ccccn1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 12650733 POKZYZVMCVFKJW-AGUYFDCRSA-N 334.510 4.023 0 40 EIAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H]1CCc2ccccc21 12770636 SQQCDAZTHIABDD-QGZVFWFLSA-N 329.827 4.139 0 40 EIAB COc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1F 12822964 NYENHJPGUYOWBT-UHFFFAOYSA-N 339.395 4.056 0 40 EIAB O=C(CCCC(=O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 12984553 VWGUYKDFCOJDDD-UHFFFAOYSA-N 331.481 4.186 0 40 EIAB C[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 13022847 WKWDQJMYNPXXGE-NSHDSACASA-N 331.778 4.380 0 40 EIAB C[C@H](NC(=O)COc1cccc2cccnc12)c1ccc(Cl)cc1 14214492 XPRBPLBXIKDZSE-ZDUSSCGKSA-N 340.810 4.144 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)COc1cccc2ccccc12 14217167 LIICPOHFTKCPSE-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB Cc1ccsc1C[C@@H]1C(=O)N(C)c2ccc(Br)cc21 15018126 JAVIDZZTOYBASM-LBPRGKRZSA-N 336.254 4.122 0 40 EIAB O=C(Nc1ccccc1Br)c1ccc(-n2cccc2)cc1 15628952 RYJTUSLRUDKYOA-UHFFFAOYSA-N 341.208 4.492 0 40 EIAB COc1cccc(NC(=S)Nc2ccc3nc(C)sc3c2)c1 16270098 GYORKTLQDCPQDH-UHFFFAOYSA-N 329.450 4.422 0 40 EIAB CN1C(=O)Cc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 16916479 BTTSWUANSNSSSJ-UHFFFAOYSA-N 342.398 4.125 0 40 EIAB Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccco2)cc1 19898751 WFKPPTFMUAFHGI-UHFFFAOYSA-N 331.375 4.463 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3cc(F)cc(F)c3)ccc2s1 20029690 GEJZVKGANWBJLZ-UHFFFAOYSA-N 347.342 4.218 0 40 EIAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cccc(Cl)c1 22781609 RJORDFZYVWBMQC-LBPRGKRZSA-N 335.831 4.217 0 40 EIAB COc1ccccc1[C@@H](C)N(C)CC(=O)Nc1cccc(SC)c1 26332927 RYPQMSHKSSAJKT-CQSZACIVSA-N 344.480 4.049 0 40 EIAB CC(C)[C@@H]1C[C@](CC(=O)N2CCCCC2)(c2ccccc2)CCO1 27666677 AMTFHLUOIPKNMS-PZJWPPBQSA-N 329.484 4.162 0 40 EIAB Cc1cccnc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 27983184 SEDNWKWBSSSLNU-UHFFFAOYSA-N 348.402 4.303 0 40 EIAB COc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(OC)c1 28219555 IRTCIYDUQBXIJW-QGOAFFKASA-N 349.386 4.476 0 40 EIAB CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCc2ccccc21 29258788 ZXPDGLWMUCUODR-IBGZPJMESA-N 332.403 4.491 0 40 EIAB CC(C)OCc1ccccc1CNC(=O)c1cc(Cl)ccc1F 31341527 GYNMXLFRBBCLRE-UHFFFAOYSA-N 335.806 4.334 0 40 EIAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Br)cc1 37499057 RVJQDXKZXGNKFX-UHFFFAOYSA-N 342.196 4.092 0 40 EIAB COc1ccc([C@H]2CCN(C(=O)c3ccccc3SC)C2)cc1 38566548 UXTBZZSUQPOLMF-HNNXBMFYSA-N 327.449 4.047 0 40 EIAB O=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1cccc(Cl)c1 39860578 FULWVYVIGOQSHZ-ZSOIEALJSA-N 331.780 4.287 0 40 EIAB Cc1c(C(=O)N(Cc2ccccc2F)C2CC2)oc2c1C(=O)CCC2 40131312 GPCXEKYPMYHXQV-UHFFFAOYSA-N 341.382 4.051 0 40 EIAB COCc1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C 44548900 XYGPCBKUHXEQDB-UHFFFAOYSA-N 342.420 4.419 0 40 EIAB CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 46970230 GAWHCOUFWOZLCH-HZPDHXFCSA-N 326.440 4.274 0 40 EIAB CC1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 47016648 VADCWPOWDJAMNW-UHFFFAOYSA-N 330.497 4.143 0 40 EIAB CCc1noc(C)c1C(=O)Nc1ccccc1N1CCc2ccccc21 47448088 PSOJJWQJWJVQNL-UHFFFAOYSA-N 347.418 4.492 0 40 EIAB CC(C)c1nc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 48354313 FRWNDUHUMKUVJA-AWEZNQCLSA-N 341.484 4.040 0 40 EIAB Cc1ccc(-c2csc3ncnc(Oc4cccc[n+]4[O-])c23)cc1C 51232797 ZNPYQDUUSPVBQN-UHFFFAOYSA-N 349.415 4.401 0 40 EIAB ON1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 67665023 AMIBINHLAUROKH-UHFFFAOYSA-N 326.827 4.121 0 40 EIAB in-vitro CCc1ccc([C@@H](C)C(=O)Nc2ccccc2-c2nnc(C)o2)cc1 67972530 DNFBETULRBGVHA-CYBMUJFWSA-N 335.407 4.350 0 40 EIAB CCCc1noc([C@@H](C)N[C@H](c2cccnc2)C2CCCCC2)n1 69443385 MGJUPBUIEZSHGX-KDOFPFPSSA-N 328.460 4.389 0 40 EIAB O=C(Cc1ccccc1O)Nc1cccc(C2SCCS2)c1 72075519 WZNUASKSWUKGBN-UHFFFAOYSA-N 331.462 4.052 0 40 EIAB CCN(C(=O)c1cc(Br)ccc1F)c1nc(C)cs1 72292228 PUDGQHPXALGSSB-UHFFFAOYSA-N 343.221 4.020 0 40 EIAB CC[C@@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccccc1 76042361 QYAHRPXWVXPDNR-GOSISDBHSA-N 333.391 4.401 0 40 EIAB C[C@@H]1C[C@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 78503107 YFUCARQGLFTVRO-ZWNOBZJWSA-N 325.309 4.222 0 40 EIAB CCCC1(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCC1 79104700 JWQICCDGVNQSII-ZDUSSCGKSA-N 330.255 4.113 0 40 EIAB COCc1ccccc1NC(=O)c1ccc2ccc(Cl)cc2n1 84083414 PEMRCTJWFMDMNM-UHFFFAOYSA-N 326.783 4.287 0 40 EIAB C[C@@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21 95465826 GPKCJUGOAHTCPA-OAHLLOKOSA-N 346.434 4.200 0 40 EIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCCOC(C)C 96008712 PFIQCSCLFKXYQG-UHFFFAOYSA-N 334.847 4.132 0 40 EIAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NC1CCCC1 100555677 ZPBBYWARRDVCMA-QJRTVWDNSA-N 340.305 4.169 0 40 EIAB Cc1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 102167801 JRMVFTGZEWUNJF-VDZJLULYSA-N 346.467 4.464 0 40 EIAB CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102669092 NCYLEMOPPZOIQQ-HNNXBMFYSA-N 340.452 4.308 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 113959919 LGWVMDXJBHXCBW-QZTJIDSGSA-N 327.399 4.177 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1C 113970847 HSIJICYAKXBCCS-GOSISDBHSA-N 331.843 4.431 0 40 EIAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118928520 YSBQFDHILMUWPK-VEVMSBRDSA-N 332.484 4.387 0 40 EIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)Cc1cccs1 222958297 ZVXVBCPLFNFBSK-SNVBAGLBSA-N 336.254 4.031 0 40 EIAB CCCc1ccc(OCCNC(=O)c2ccccc2SC)cc1 223453027 WPDFOPFYAXDICH-UHFFFAOYSA-N 329.465 4.170 0 40 EIAB CCCOCc1cc(C(=O)NC2CCCCCCC2)ccc1OC 224420026 DTOJBVZKHDQAOO-UHFFFAOYSA-N 333.472 4.465 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2)c1 224528648 AXRWVRLLZBWFEG-UHFFFAOYSA-N 327.424 4.031 0 40 EIAB Cc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cc1 224807850 FEMNUMWZTKKBPL-BUHFOSPRSA-N 348.490 4.311 0 40 EIAB CC1(C)C[C@@H](NC(=O)Cc2ccc(Cl)cc2F)c2ccccc2O1 225088389 LYVDOJXERLUQJB-MRXNPFEDSA-N 347.817 4.440 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)OCC1(CC1)CO2 225364829 LICNXILINBWKRF-UHFFFAOYSA-N 329.783 4.144 0 40 EIAB COc1cccc(CCCNC(=S)Nc2ccc(C)c(C)c2)c1 225552365 NADVKXXCQXVMGJ-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 245338837 OVGURIZOSNHUCM-GDIGMMSISA-N 332.403 4.323 0 40 EIAB O=C(c1cncc2ccccc12)N(Cc1ccco1)c1ccccn1 330032453 NEYRIQLQISKQGF-UHFFFAOYSA-N 329.359 4.070 0 40 EIAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2)N1c1ccc(F)cc1 408844476 TUROVISATQNMOZ-XMHGGMMESA-N 343.361 4.055 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1noc2c1CCCC2 575620587 LAXGVRZAAQEECU-LBPRGKRZSA-N 340.448 4.129 0 40 EIAB COc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1 119451 WGRFFXNIDWYQRL-UHFFFAOYSA-N 329.359 4.493 0 40 EIAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)c1 121731 AIDRZDIHTASQGB-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB CC(=O)c1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 281462 IGAICOMKMOQBTP-UHFFFAOYSA-N 327.449 4.378 0 40 EIAB Cc1ccc(OCCCC(=O)Nc2ccc(N(C)C)cc2)c(C)c1 1914120 XTOWYJCXGMVZSC-UHFFFAOYSA-N 326.440 4.167 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1OC 1934590 QADVEQQTQRGQDO-PKNBQFBNSA-N 329.371 4.275 0 40 EIAB CCCC[C@@H]1C[C@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O 2102246 OROXZXPYZYSMQA-SJLPKXTDSA-N 348.439 4.000 0 40 EIAB biogenic Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1C 2664499 WIEGUUYCRIVUNC-UHFFFAOYSA-N 334.832 4.033 0 40 EIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=S)Nc1ccc(OC(F)F)cc1 3270230 LIYBYTFQYGQACE-UHIISALHSA-N 328.428 4.399 0 40 EIAB C[C@@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3443644 KDMCNGMSQPIYDK-OAHLLOKOSA-N 339.435 4.018 0 40 EIAB Cc1ccccc1C(=O)N1CCN=C1SCc1ccccc1Cl 4120253 FPYUBRKHOKSMJO-UHFFFAOYSA-N 344.867 4.394 0 40 EIAB CN(C(=O)COc1ccc2c(c1)[nH]c1ccccc12)c1ccccc1 5498089 VYGSZSKWDIMGKG-UHFFFAOYSA-N 330.387 4.363 0 40 EIAB Cc1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1 6313814 FUQFSBRLHOUJHG-LJQANCHMSA-N 325.477 4.422 0 40 EIAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccccc1F 6615669 TXZJHFDPNHWYTI-UHFFFAOYSA-N 347.187 4.182 0 40 EIAB CCC[C@@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6944603 NBRYRJMRADDNQM-WBFOAEISSA-N 338.407 4.440 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1C 11052258 VESWFAPIJPXKRV-HNNXBMFYSA-N 337.419 4.319 0 40 EIAB O=C(Nc1ccc(SCc2ccccc2Cl)nn1)c1ccco1 11739340 BINZVGMYGHFMAD-UHFFFAOYSA-N 345.811 4.268 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1Cl 12792368 CPARJOKURCCIKM-UHFFFAOYSA-N 327.811 4.430 0 40 EIAB CCOc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 12906142 TXMULGFVWLCDFM-AWEZNQCLSA-N 339.391 4.088 0 40 EIAB Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1F 12918098 RIYRAOFGJDAYBW-UHFFFAOYSA-N 347.459 4.075 0 40 EIAB Sc1nnc([C@@H]2C[C@H]2c2ccccc2)n1-c1ccccc1Cl 13118936 MXSIORKOPSDDFW-QWHCGFSZSA-N 327.840 4.481 0 40 EIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1cccc(Br)c1 20025677 PUZDCSKWVPSUQB-SECBINFHSA-N 340.167 4.218 0 40 EIAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1Cl 22913910 DKKSYURPWQPRFH-IBGZPJMESA-N 343.902 4.222 0 40 EIAB Cc1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)c(C(C)(C)C)c1 27531040 JLKSJXCQCJQNRN-KZNAEPCWSA-N 333.516 4.295 0 40 EIAB CCCCCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C 27643353 XNBYWPWHDQWMQI-UHFFFAOYSA-N 340.471 4.499 0 40 EIAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccs2)c1C 27921969 PCSSWIFLSMFULY-UHFFFAOYSA-N 325.437 4.170 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc(-n4cccn4)cc3)cc2c1C 28243727 XMLXHMXIQXFAAL-UHFFFAOYSA-N 330.391 4.223 0 40 EIAB COc1ccccc1-c1cc(C(=O)Nc2ccc3oc(C)nc3c2)no1 30036750 SYJQFWHESRPZKQ-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB COc1ccccc1CNC(=O)c1cc(-n2cccc2)ccc1Cl 32106447 BUJSBMHEDZXLAD-UHFFFAOYSA-N 340.810 4.069 0 40 EIAB CCCc1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1 32858057 YCPLEBOSFBUBSU-LJQANCHMSA-N 339.435 4.026 0 40 EIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 36020409 UPBHDNBADOAHCA-BPSSIEEOSA-N 332.484 4.242 0 40 EIAB biogenic O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1cccc(F)c1 36619752 KRUPNWBICPHMGG-LBPRGKRZSA-N 345.848 4.066 0 40 EIAB Cc1ccc(SCC(=O)NCc2ccc(OC(C)C)cc2)cc1 38752844 BEOVNRUXPMRUPO-UHFFFAOYSA-N 329.465 4.191 0 40 EIAB Cc1ccccc1CN1CCC(C(=O)NC2CCCCCC2)CC1 39761180 JHTIXWAUINYHLZ-UHFFFAOYSA-N 328.500 4.046 0 40 EIAB O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 39766959 XEAWACXNGIWIKN-UHFFFAOYSA-N 346.833 4.330 0 40 EIAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)cc1 42645493 OQJQYCAWUHJFPA-CCEZHUSRSA-N 336.435 4.129 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(SC)c1 44899743 SDUDWNBCKRGBCO-KRWDZBQOSA-N 331.437 4.213 0 40 EIAB CCc1nc2cc(NC(=O)C(=O)c3c(C)[nH]c4ccccc34)ccc2o1 57991333 JHIVAGVOKPNBOS-UHFFFAOYSA-N 347.374 4.001 0 40 EIAB Cc1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 58160625 MCFGBMXKDGLXCD-UHFFFAOYSA-N 333.431 4.222 0 40 EIAB Cc1cc(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)c(C)o1 58191647 GIQGGTRXXZYGTC-UHFFFAOYSA-N 340.467 4.058 0 40 EIAB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc2n1 58356832 PJOHIHRPUIPCEB-HRAATJIYSA-N 346.430 4.145 0 40 EIAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cs1 69653770 DXRSXXPMFUPUFM-GOSISDBHSA-N 339.464 4.229 0 40 EIAB Cc1ncsc1C(=O)N[C@H](c1cccnc1)c1cc2ccccc2o1 69703116 PKZXVHLPUNFFJV-QGZVFWFLSA-N 349.415 4.112 0 40 EIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1Br 72211638 SNBIBQQGIJZJNG-LBPRGKRZSA-N 341.249 4.306 0 40 EIAB Cc1csc([C@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)n1 72298872 KSVIDYQIJMQRSX-SJORKVTESA-N 340.492 4.278 0 40 EIAB CCN(CC)[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 72303402 IKUHQWVBLNZFSB-GOSISDBHSA-N 348.918 4.095 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2cc[nH]c2c1 72405126 FFGPCEJBGYKSHZ-UHFFFAOYSA-N 344.418 4.152 0 40 EIAB O=S(=O)(C[C@H]1CCCCO1)Oc1ccc(C2CCCCC2)cc1 78583732 NPTRQHFHJTWECG-GOSISDBHSA-N 338.469 4.012 0 40 EIAB Cc1ccc(NC(=O)C[C@@H]2CC(=O)Oc3cccc(Cl)c32)c(C)c1 80345794 HEULDVZCWYIPME-CYBMUJFWSA-N 343.810 4.378 0 40 EIAB COC(=O)c1ccc2c(c1)CCCN2Cc1cc(C)nc2ccccc12 84083434 KKMMHTPKUAURDY-UHFFFAOYSA-N 346.430 4.283 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@H](O)c1ccccc1 85436450 RMDQNHRKBIVQKX-QFIPXVFZSA-N 345.442 4.136 0 40 EIAB O=C(COc1ccccc1F)N(Cc1ccoc1)Cc1cccs1 90612134 QXGMJDWFGOCCHJ-UHFFFAOYSA-N 345.395 4.088 0 40 EIAB O=C(Nc1cccc(NCc2ccc3c(c2)CCO3)c1)c1ccoc1 95428903 MYOZSFGXRJOKHZ-UHFFFAOYSA-N 334.375 4.079 0 40 EIAB CC(C)c1sc(Cl)nc1C(=O)Nc1nnc(C2CCC2)s1 95476893 XKIVUKFXRFTATM-UHFFFAOYSA-N 342.877 4.291 0 40 EIAB CCOC(=O)Cc1csc(Nc2c(Cl)cccc2Cl)n1 95929447 XPCHQPVFTJCABJ-UHFFFAOYSA-N 331.224 4.299 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102024452 NWAJCNWYMSTERC-GXCJREFPSA-N 348.284 4.403 0 40 EIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCC[C@H]1C 105385116 QDMGQNMNICYKKZ-NOZJJQNGSA-N 336.794 4.361 0 40 EIAB COc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 170569262 FKGRNYDBFAAJNA-UHFFFAOYSA-N 348.406 4.098 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 223252323 INTKKPMXBXAUAS-IAGOWNOFSA-N 341.451 4.265 0 40 EIAB COc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1N 225176668 UKDTWYXQXVJDFH-UHFFFAOYSA-N 336.178 4.301 0 40 EIAB CC(C)Oc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225446796 HWTNWXPQGTUGIX-UHFFFAOYSA-N 336.407 4.239 0 40 EIAB Cc1cccnc1NC(=S)NCCCc1ccc(OC(C)C)cc1 225569959 IHXSVEYKAGUOIP-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB Cc1ccc(NC(=S)NCCCSCc2cccc(C)c2)nc1 225605185 NAWJHYWIOSWYFQ-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB O=C(Nc1ccc(F)cc1F)c1ccc(Oc2nccs2)cc1 225636429 CPLQCVGJYQPQJP-UHFFFAOYSA-N 332.331 4.466 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1C 225690274 LNNORDZFJFUIOG-QGZVFWFLSA-N 325.452 4.074 0 40 EIAB COc1cccnc1NC(=S)N[C@@H](c1ccc(C)cc1C)C(C)C 225766646 WPCUGJPNJVTFOE-QGZVFWFLSA-N 343.496 4.391 0 40 EIAB CCC1(NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)CCCC1 225870139 KDLLNCUEBWFABZ-UHFFFAOYSA-N 345.512 4.131 0 40 EIAB CC(C)n1ncc2c(C(=O)O)c3c(nc21)/C(=C/c1cccs1)CC3 248024540 VXKUKIHZCQOFOZ-DHZHZOJOSA-N 339.420 4.259 0 40 EIAB Fc1ccc(Cc2cnc([C@H]3CCCN3Cc3cncs3)o2)cc1 257277351 NXPRPXKDPNGMRI-QGZVFWFLSA-N 343.427 4.198 0 40 EIAB O=C(O)CCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C/CCCCCO 299888546 NUPDGIJXOAHJRW-OOBXRRHLSA-N 336.472 4.160 0 40 EIAB Cc1cccc(CSCCNC(=O)c2cc3ccccc3o2)c1 408619905 OILNVYBYUKROJR-UHFFFAOYSA-N 325.433 4.404 0 40 EIAB CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408675812 KQTGWYGAXHIUGM-MRXNPFEDSA-N 348.446 4.402 0 40 EIAB CC[C@@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 585124416 CIKSWPBLUWUOOQ-HUUCEWRRSA-N 328.412 4.184 0 40 EIAB CCCC(=O)N1CCC[C@H](Cc2cnc3c(ccn3CC)c2)CC1 2037838546 NDUCLVLAVYHOIN-INIZCTEOSA-N 327.472 4.028 0 40 EIAB C[C@H]1Cc2scc[n+]2-c2ccccc2N1C(=O)Nc1ccccc1 112682 LQRPCYMQZDSDJD-AWEZNQCLSA-O 336.440 4.008 0 40 EIAB O=C(NCc1ccccc1)c1cccnc1Nc1cccc(Cl)c1 1376155 RSWZOJPRXTWKQS-UHFFFAOYSA-N 337.810 4.409 0 40 EIAB Cc1cccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 2209360 GSBHPGIVAQPCQW-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(OC(F)(F)F)cc1 2656677 DZUOLRKXEGWWSD-INIZCTEOSA-N 335.325 4.393 0 40 EIAB C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(SC(F)F)cc1 3256622 GXSXNTZRFALJLS-QWRGUYRKSA-N 345.484 4.466 0 40 EIAB COc1ccc(CC(=O)Nc2ccccc2Cc2ccccc2)cc1 3420872 KNXFKHJRSZTHHN-UHFFFAOYSA-N 331.415 4.467 0 40 EIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC(=O)O 4104892 OMIRDMKISVBCGX-UJVQCXQCSA-N 334.500 4.481 0 40 EIAB biogenic,in-vitro O=C(NCc1ccco1)c1cn(-c2ccccc2)nc1-c1ccccc1 4602976 CRGPZXNHGLVJFN-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB Brc1ccccc1CSc1nncn1-c1ccccc1 5621970 ZJFSTOMJGAOXOB-UHFFFAOYSA-N 346.253 4.322 0 40 EIAB CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 5694701 CFFQVBLYCRPCJJ-UHFFFAOYSA-N 337.235 4.358 0 40 EIAB CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2)cc1 6747430 LUMHEVPSIKAVMZ-UHFFFAOYSA-N 349.430 4.450 0 40 EIAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 7910508 NLFOQHPOHHZQAR-UHFFFAOYSA-N 342.826 4.336 0 40 EIAB Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Cl)c1 7972602 XOMKQTFPJJJKDV-UHFFFAOYSA-N 327.186 4.492 0 40 EIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 8051042 ZHGPOSLZHSGNTI-SIHNGCNOSA-N 327.468 4.156 0 40 EIAB CNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 8377379 RSLQJQLIFQXFQC-UHFFFAOYSA-N 326.223 4.300 0 40 EIAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1C 8434653 BNGMYCNOKQXJOG-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 8434720 HOHYURABDWSZKS-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2)c(C)c1 8492475 CBKRUWIGQBQOBV-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB Cc1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063268 FVMHOQHNHLAYQW-UHFFFAOYSA-N 342.870 4.499 0 40 EIAB CC1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 9668749 OPHZCGPKXFZMBD-UHFFFAOYSA-N 339.435 4.017 0 40 EIAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 11585238 RJAHJUNNIZRWHX-IBGZPJMESA-N 342.402 4.088 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 12857588 FSSOGPQYOMPDAR-HNNXBMFYSA-N 343.448 4.431 0 40 EIAB COc1ccccc1CN(C)C(=O)c1csc(-c2ccccc2)n1 12861898 FGOCBSHDCOZJPB-UHFFFAOYSA-N 338.432 4.091 0 40 EIAB c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccco3)no2)cc1 13010590 PVFHENKTMUUEHV-UHFFFAOYSA-N 335.363 4.125 0 40 EIAB CCOc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 13132342 OKCWYSCYQJCNJK-RBUKOAKNSA-N 334.423 4.132 0 40 EIAB Cc1ccc(OCC(=O)NCCSCc2ccccc2C)cc1C 14399479 WLJAKCDPWJLJKI-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB O=C(Nc1ccccc1Br)c1cc(Cl)ccc1F 15576926 SDZYFFSIMRDJHS-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1 19736437 YIBBZYCIGGKGSC-LBPRGKRZSA-N 332.831 4.453 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1Cl 20106242 JXUNRPMHEOSUDP-UHFFFAOYSA-N 338.190 4.422 0 40 EIAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC[C@H]1c1ccccc1 22328658 DSWBZXZJPUDAMN-HNNXBMFYSA-N 329.783 4.046 0 40 EIAB COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 26894642 GICRIQQPXPKWNB-IAGOWNOFSA-N 340.814 4.086 0 40 EIAB Cc1ccsc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 28334665 LZFZPGUOHQTBTP-UHFFFAOYSA-N 335.475 4.251 0 40 EIAB Clc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1Cl 32104914 MBKVOFBDMMTDIA-UHFFFAOYSA-N 337.191 4.420 0 40 EIAB CCc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 32930328 WGSUJPSOPGUOLQ-UHFFFAOYSA-N 346.430 4.153 0 40 EIAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(Cl)c1Cl 32931275 JUSWHZMTRCQHPV-FZMZJTMJSA-N 330.255 4.319 0 40 EIAB COc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1 36649131 AYBHAKOBTPNMON-UHFFFAOYSA-N 330.391 4.108 0 40 EIAB CCc1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3ccccc23)cc1 41076986 ACDSCYAHAPHUHP-UHFFFAOYSA-N 349.434 4.145 0 40 EIAB CN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 44910211 UKBCOMFATOWYLQ-QGZVFWFLSA-N 342.870 4.215 0 40 EIAB Cc1ccc(CS(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 44947896 AZEPQVANNBOIEK-IBGZPJMESA-N 331.481 4.202 0 40 EIAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412353 YTVQTUXBGSOFGP-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCc1nnsc1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 57819019 VJYVPGMNUFIGRQ-LURJTMIESA-N 348.230 4.037 0 40 EIAB CCOc1ccc2c(c1)CN(C(=O)c1ccccc1C(F)(F)F)CC2 60211668 FVIKBZMRFCKBDM-UHFFFAOYSA-N 349.352 4.303 0 40 EIAB CCN(C(=O)c1cccnc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 69458177 YGEIWCQQFWIYFR-HXUWFJFHSA-N 349.409 4.176 0 40 EIAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)NC1CCCC1 70655607 NPJXDSNATWIHJZ-UHFFFAOYSA-N 347.227 4.169 0 40 EIAB O=C(COc1ccc(Oc2ccncc2)cc1)Nc1cccc(F)c1 75109619 APOHUFFFEWULIM-UHFFFAOYSA-N 338.338 4.031 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1OC 77495573 XCLQUOALJNMJOU-AWEZNQCLSA-N 345.464 4.440 0 40 EIAB COc1cc(OC)cc(C(=O)O[C@H](CC(C)C)c2ccccn2)c1 84509948 YFTLTVQGTFLIAT-GOSISDBHSA-N 329.396 4.043 0 40 EIAB Cn1ccnc1[C@@H](O)c1ccc(NCc2csc3ccccc23)cc1 89761351 BXCCMYFNQIIMCX-IBGZPJMESA-N 349.459 4.329 0 40 EIAB c1ccc(-c2noc([C@@H](NCc3ccco3)c3ccccc3)n2)cc1 95417547 KJVPGXTVCPHGBC-SFHVURJKSA-N 331.375 4.209 0 40 EIAB Cc1cc(NC(=O)c2ccccc2Cl)cc2c1N(C)C(=O)C2(C)C 96182147 CIVKQGNYRCFYHM-UHFFFAOYSA-N 342.826 4.155 0 40 EIAB CC(C)(C)Sc1cc(C(=O)Nc2nnc(C(F)F)s2)ccn1 97048136 AAWUNUNYROQNQW-UHFFFAOYSA-N 344.412 4.014 0 40 EIAB CSc1ccsc1C(=O)Nc1cc(Cl)ccc1NC(C)=O 107135033 YBMATNXIDOYFHW-UHFFFAOYSA-N 340.857 4.334 0 40 EIAB Cc1ccc(CCCC(=O)Nc2ccc3c(c2)CCCC(=O)N3)s1 175766173 UQUAJILFWVINNR-UHFFFAOYSA-N 342.464 4.293 0 40 EIAB O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 201707299 QRAJEZCYXNPKMG-UHFFFAOYSA-N 343.210 4.259 0 40 EIAB CN(C1CCCCC1)S(=O)(=O)Cc1c(Cl)cccc1Cl 216488757 HUOSDXJKTQEYLQ-UHFFFAOYSA-N 336.284 4.088 0 40 EIAB CCOc1cc(C(=O)O)ccc1OC(=O)c1cccc2ccccc12 216776444 XJQIBGZSSDJHHZ-UHFFFAOYSA-N 336.343 4.156 0 40 EIAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)cc1 223731241 MCOLEUZQBSXKHG-INIZCTEOSA-N 333.815 4.238 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1 223782054 DWZAGLAQAPBOIP-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 224051632 DWPOBRDNXKWZAJ-UHFFFAOYSA-N 347.480 4.455 0 40 EIAB CCNC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224177497 ZSVCVHPNZYXGIN-UHFFFAOYSA-N 341.451 4.321 0 40 EIAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc2c(c1)CCCC2 224878079 DHUXUVMBNSVOOY-UHFFFAOYSA-N 343.854 4.256 0 40 EIAB Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)O)c1 225323570 RJAQLLHELZUXNL-UHFFFAOYSA-N 332.403 4.174 0 40 EIAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)Cc1cccs1 225625173 ZADZPXCUAAQEHR-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB COc1cccnc1NC(=S)N[C@H](C)CC(C)(C)c1ccccc1 225662199 HMZQEFIXTFPMID-CQSZACIVSA-N 343.496 4.133 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2OC)cc1Cl 225768010 UHGDOXZXGWQIJZ-UHFFFAOYSA-N 348.786 4.169 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(Br)o1 239593173 DSARCBAHOVLAIP-JTQLQIEISA-N 348.196 4.149 0 40 EIAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 409130460 HYQHOWWLIXTSJH-GHRIWEEISA-N 339.416 4.036 0 40 EIAB FC(F)(F)c1cc(N2CC[C@@H](COCc3ccccc3)C2)ccn1 585080996 JTRGPUCFLIYHCF-OAHLLOKOSA-N 336.357 4.144 0 40 EIAB COC1(OC)CC2(CN(C(=O)c3ccc(C(C)C)cc3)[C@H]2C(C)C)C1 585126930 LQNNYRHNQLURSL-SFHVURJKSA-N 345.483 4.060 0 40 EIAB Cc1ncn(-c2ccc(NC[C@H]3CCOc4ccccc43)cc2)c1C 643354087 AKDXKTZWMJFWCO-QGZVFWFLSA-N 333.435 4.467 0 40 EIAB Oc1ccccc1NCCCC(F)(F)C(F)(F)Br 1083811796 PYHONXXITTUUJU-UHFFFAOYSA-N 330.119 4.207 0 40 EIAB Cc1ccc(C(=O)c2cn(CC3CCC3)c3ccccc3c2=O)cc1 1889054797 LYDDZZZRQQGFHY-UHFFFAOYSA-N 331.415 4.341 0 40 EIAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc3ccccc23)cc1 148015 PQDYIBGVYVITAW-SDNWHVSQSA-N 345.398 4.343 0 40 EIAB COc1ccc(NC(=O)Nc2c(SC)nsc2SC)cc1 180354 BBRVYZPCNFKPDE-UHFFFAOYSA-N 341.483 4.240 0 40 EIAB O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1 319755 HNQXMVIOIUZZEU-JOCHJYFZSA-N 349.430 4.147 0 40 EIAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NC(C)(C)C 416694 GQSCZZQACDMTAN-UHFFFAOYSA-N 330.497 4.421 0 40 EIAB Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 1384071 ABPODJWDSKSSIG-UHFFFAOYSA-N 333.313 4.002 0 40 EIAB Cc1cccc(C)c1C(=O)c1cccc(CN2CCSCC2)c1 2515291 SDGIZBWECUOTSP-UHFFFAOYSA-N 325.477 4.083 0 40 EIAB O=C(c1ccccc1CN1CC=CC1)c1ccccc1C(F)(F)F 2515903 YSAQSECOJNFSEJ-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB COc1ccccc1CC(=O)NC(c1ccccc1)c1ccccc1 2743019 ZLSWZJPXPRIKJF-UHFFFAOYSA-N 331.415 4.144 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@H]1[C@@H]1c2ccccc2C=CN1C(C)=O 3014253 CUVGSISUAFZDNL-VXKWHMMOSA-N 344.414 4.135 0 40 EIAB NC(=S)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 3133247 BFHRJGOZOWUIKQ-NSHDSACASA-N 330.762 4.172 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)CNc1ccc(F)cc1F 3486986 WCKRMZIPGVCAPE-UHFFFAOYSA-N 348.393 4.322 0 40 EIAB COc1ccc(Br)c(C(=O)Oc2ccc(Cl)cc2)c1 3550246 QLPJHRFRQYUMIX-UHFFFAOYSA-N 341.588 4.330 0 40 EIAB O=C(N1CCc2[nH]c3ccccc3c2C1)C12CC3CC(CC(C3)C1)C2 4027716 DYVFLSCDPKBDMP-UHFFFAOYSA-N 334.463 4.269 0 40 EIAB biogenic O=C([C@H](F)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 4852115 QHQPSHVRRKIGAA-HNNXBMFYSA-N 325.305 4.116 0 40 EIAB COc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1 5127564 MTCXBTJUHOXJSM-GXDHUFHOSA-N 338.432 4.028 0 40 EIAB COc1ccccc1N(CC(=O)c1cccs1)C1=NCCCC1 7276468 ZJBVFUJKQQJYET-UHFFFAOYSA-N 328.437 4.028 0 40 EIAB C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 7309588 CNHUAIFWSPVTMV-NSHDSACASA-N 344.263 4.075 0 40 EIAB CC(C)c1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 7347903 LHCMVZAQNFHFCG-VIFPVBQESA-N 341.889 4.434 0 40 EIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC2CCCCC2)s1 7609038 BXZASYPVHYGIIC-UHFFFAOYSA-N 332.444 4.249 0 40 EIAB COc1ccc(-c2cc(NC(=O)c3ccccn3)ccc2OC)cc1 7638835 WJKHGCQQSPWCSN-UHFFFAOYSA-N 334.375 4.018 0 40 EIAB COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 9420790 KMOAFBUBPOQUQQ-UHFFFAOYSA-N 341.407 4.312 0 40 EIAB O=c1cc(CNc2ccccc2Oc2ccccc2)nc2sccn12 9515293 MUURIZYQVYDEPC-UHFFFAOYSA-N 349.415 4.160 0 40 EIAB CCC(CC)(CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1)C(=O)O 10171126 FYMJXANHEBZDPM-UHFFFAOYSA-N 345.443 4.080 0 40 EIAB CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)c1 11914496 YJURYVZPZSFRKS-UHFFFAOYSA-N 339.420 4.165 0 40 EIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1cccs1)C3 12222215 JPQVQFRRCGSUTK-UHFFFAOYSA-N 340.404 4.210 0 40 EIAB c1ccc(-n2nnnc2CSCc2cccc3ccccc23)cc1 12791668 ATLLXFGIYQBMGQ-UHFFFAOYSA-N 332.432 4.249 0 40 EIAB O=C(NCCSCc1ccsc1)Nc1cccc(Cl)c1 12914326 DVECHVOLWUHGIU-UHFFFAOYSA-N 326.874 4.456 0 40 EIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c(C)c1 14198254 DJMZXCALLIDQAB-UHFFFAOYSA-N 340.404 4.463 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)cc1 15541194 ZPOFHRBMZIROFN-CQTFCRGUSA-N 325.383 4.211 0 40 EIAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(F)cc(F)c1 16101145 LYWKYUMWTCHLGM-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB O=C(NCCCOCc1ccco1)Nc1ccc(Cl)c(Cl)c1 18179338 CDSGHBMZVYOMHT-UHFFFAOYSA-N 343.210 4.315 0 40 EIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccccc1 20457550 UKLDNYLYEPMYOJ-MOPGFXCFSA-N 327.424 4.120 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(F)cc1 20482260 RYGICXZUFXWLGX-IBGZPJMESA-N 343.442 4.349 0 40 EIAB C[C@H](CNC(=O)CSc1ccc(F)c(Cl)c1)c1ccccc1 23264065 QKWSWWIKDDOKFW-GFCCVEGCSA-N 337.847 4.491 0 40 EIAB CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 25131671 QWJZYSYXNAKGPT-MRXNPFEDSA-N 342.464 4.405 0 40 EIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)cc1 27583802 DDAXKOHVPYIWMP-GOSISDBHSA-N 346.833 4.046 0 40 EIAB COc1ccc(CN(Cc2nc3ccccc3o2)C2CC2)c(OC)c1 27590763 GBBDOJUIJLYXCX-UHFFFAOYSA-N 338.407 4.010 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC 30854291 RKFHZCYHHLGRBR-AWEZNQCLSA-N 345.464 4.440 0 40 EIAB Clc1cccc(Cl)c1-c1nn2c(-c3cccnc3)nnc2s1 32101241 VVLFFHFAAKIVRO-UHFFFAOYSA-N 348.218 4.222 0 40 EIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(F)ccc1F 32930554 DGQPBRAWEXXJEN-UHFFFAOYSA-N 340.329 4.082 0 40 EIAB Cc1cccc(-n2nnnc2C2(NC3CCCCC3)CCCCC2)c1 35622143 WBTPLRGUGRVCNJ-UHFFFAOYSA-N 339.487 4.052 0 40 EIAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 36619721 ABCVFZUNHLOZAN-QGZVFWFLSA-N 335.856 4.174 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 38833603 YWHHABSVUOUUQC-GOSISDBHSA-N 340.442 4.293 0 40 EIAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2cnc3ccccc3n2)c1 40066727 CHDPLEXHZFDARZ-AWEZNQCLSA-N 337.448 4.366 0 40 EIAB O=S(=O)(Cc1ccc(Cl)cc1)Cc1cc(-c2ccccc2)on1 45358707 MKNQKESQBQICBG-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB CC(=O)Nc1cccc(NC(=O)c2ccc(SC(C)C)cc2)c1 48181528 XZZUSJYDAZDBDH-UHFFFAOYSA-N 328.437 4.398 0 40 EIAB CCOc1ccc([C@H]2CCCN2CC(=O)N2CCCC[C@H]2CC)cc1 48332873 OUMBSRGZPCIPGD-UYAOXDASSA-N 344.499 4.013 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3F)n[nH]2)cc1 51315489 ZRJLYZUFINTLBG-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB CC(C)Oc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1 57354816 LFDNDONVRBCAGS-UHFFFAOYSA-N 347.374 4.032 0 40 EIAB CCOC(=O)CCCCCCNC(=O)N[C@@H](c1ccccc1)C(C)C 58167250 LRUVZKALABAWOL-LJQANCHMSA-N 348.487 4.197 0 40 EIAB Cc1cccc(NC(=O)N2CCC[C@H]2CN(C)c2ccccc2)c1C 58379542 WKJMEWIQFRWMIJ-IBGZPJMESA-N 337.467 4.436 0 40 EIAB FC(F)CN1CCC(NCc2cccc(-c3ccccc3)c2)CC1 60953505 RFHUNXLAJOALNH-UHFFFAOYSA-N 330.422 4.173 0 40 EIAB COCCOCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 67978197 AAYQVROZAWREAQ-UHFFFAOYSA-N 344.238 4.006 0 40 EIAB Cc1ccccc1CNC(=O)c1sc(NC2CCCCC2)nc1C 71326717 OVFBQEPSCHWTTF-UHFFFAOYSA-N 343.496 4.435 0 40 EIAB CCc1nc2cc(NC(=O)CC3(C(=O)O)CCCCCC3)ccc2o1 71808757 IXJUBFVIAGUECX-UHFFFAOYSA-N 344.411 4.144 0 40 EIAB Cc1ccc(CNC(=O)NC(c2cccs2)c2cccs2)cn1 72291908 LTTLQQSWIPLIEL-UHFFFAOYSA-N 343.477 4.102 0 40 EIAB Cc1cccc([C@@H]2CCCN2C(=O)Nc2cnn(CC(F)F)c2)c1C 72546742 LTEGVYKAOIQUIR-INIZCTEOSA-N 348.397 4.134 0 40 EIAB O=C(CCN1CCC[C@H]1C1CCCCC1)N1CCc2sccc2C1 75120734 GURDXPDLWBUTAI-SFHVURJKSA-N 346.540 4.068 0 40 EIAB Cc1ccn2cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)nc2c1 89700858 KKXVKRSOLNCQKO-CQSZACIVSA-N 337.448 4.174 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1c1cn[nH]c1 89782947 QFFOTNGIXOEVGC-AWEZNQCLSA-N 338.333 4.188 0 40 EIAB CC[C@@H](NC(=O)Nc1cccc(Cl)c1OC)c1nccs1 96415834 PZGNQYJDOPGJDI-SNVBAGLBSA-N 325.821 4.078 0 40 EIAB Cc1ccccc1-c1nc(C[S@](=O)[C@H](C)c2ccc(F)cc2)no1 96471500 CVISHJYCBKGXMF-YEBMWUKDSA-N 344.411 4.194 0 40 EIAB C[C@H](NC(=O)CCc1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102221278 JZXITSBQMHMWES-AJNGGQMLSA-N 328.481 4.170 0 40 EIAB O=C(CN1CCC[C@@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 107328731 TXWWDYBOLGTKRI-LEWJYISDSA-N 334.463 4.017 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108868659 JVPLYRPRJVNTFD-QTVXIADOSA-N 344.480 4.249 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1cccc(C)c1 219589744 WGKHESOPVRURFO-HXUWFJFHSA-N 325.452 4.210 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccccc1OC 223081118 XTEKOURFAOMDTI-CRAIPNDOSA-N 327.424 4.038 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 223252495 INTKKPMXBXAUAS-IRXDYDNUSA-N 341.451 4.265 0 40 EIAB Cc1ccc(CC(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1 224186518 JBAZMRPXLQUOLU-UHFFFAOYSA-N 331.843 4.003 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)NC(C)(C)Cc1ccccc1 225050601 MPBKKBIOUHVRQL-AWEZNQCLSA-N 331.843 4.245 0 40 EIAB COc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1Cl 225122600 JYLRGCVFMWCPSB-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB COc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1Cl 225123680 JOASABNFEASTFL-GOSISDBHSA-N 348.826 4.349 0 40 EIAB COc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1N 225171626 RDSGNGGDQQYKFF-UHFFFAOYSA-N 336.178 4.301 0 40 EIAB CCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1C 225595493 YZCPNYXFLWUCHV-UHFFFAOYSA-N 325.430 4.047 0 40 EIAB COc1cc(SC)ccc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 278415021 ZROGDUDMWIKVNP-CJNGLKHVSA-N 337.485 4.197 0 40 EIAB CCOc1c(Cl)cccc1CC(=O)Nc1cncc2ccccc12 583423591 MEEAZNUAAIDWKR-UHFFFAOYSA-N 340.810 4.468 0 40 EIAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)cn1 585083092 JUQXQCMDKLTWBT-NRFANRHFSA-N 337.467 4.012 0 40 EIAB C[C@H](NCc1cccc(OC(F)F)c1)c1ccc(-n2ccnc2)cc1 1657728517 MWCNEYDPIURVCR-AWEZNQCLSA-N 343.377 4.325 0 40 EIAB COc1ccc2oc(=O)c(-c3ccc(Br)cc3)cc2c1 57976 NGYRACBRSBNLPU-UHFFFAOYSA-N 331.165 4.231 0 40 EIAB biogenic CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Cl)cc1 348628 RYYAGGUQDJFPMF-UHFFFAOYSA-N 337.828 4.393 0 40 EIAB Cn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 422889 QGVUSYUNYFSRQV-UHFFFAOYSA-N 329.856 4.352 0 40 EIAB COc1cccc(-c2nc3nc4ccccc4nc3n2CC(C)C)c1 541677 DRYAPQJOPWAQLG-UHFFFAOYSA-N 332.407 4.311 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)c(C)c1 580790 DKPCFELSQHWDEI-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB O=C(OCCN1CCCCC1)c1sc2cccc(F)c2c1Cl 1421415 YLBBASRZJVLERT-UHFFFAOYSA-N 341.835 4.337 0 40 EIAB COc1ccc(-c2c/c(=N\CCCO)c3c(C)cc(C)cc3o2)cc1 1791685 YNOIYOJSKDGFKR-RELWKKBWSA-N 337.419 4.008 0 40 EIAB Cc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2419361 YDDRFNCQDXLRPA-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1cc(OCC(=O)OCc2ccc(Cl)cc2)ccc1Cl 3253876 HSRKQAITTIJRNJ-UHFFFAOYSA-N 325.191 4.424 0 40 EIAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1Cl 3291660 DIZHHYODHRKTPJ-JTQLQIEISA-N 344.238 4.444 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1OCC 3343191 XVEPOBOIAKUTMZ-UHFFFAOYSA-N 325.408 4.154 0 40 EIAB CC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 4302302 AUNFUILAOBLWAV-UHFFFAOYSA-N 336.395 4.055 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1 4372188 USHIUJKTPUMJTC-CRAIPNDOSA-N 328.412 4.069 0 40 EIAB O=C(CN1CCc2ccccc21)Nc1ccc(SC(F)F)cc1 5638140 MNCSMDBFNOABCM-UHFFFAOYSA-N 334.391 4.003 0 40 EIAB Cc1cc(C)cc(OCCOC(=O)c2ccc3ncsc3c2)c1 7042646 GDNXDIJVTOUVOF-UHFFFAOYSA-N 327.405 4.149 0 40 EIAB C[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccc(Cl)cc2)o1 7587425 DSMZODIEIRITGF-GFCCVEGCSA-N 325.799 4.341 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 7973726 CNJXRSRKIADLMV-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CCCOc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 8343098 KHUTVTWACUDMGB-KRWDZBQOSA-N 327.449 4.442 0 40 EIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(F)cc(F)c1 8347020 HATUOXJIMRQNFN-SNVBAGLBSA-N 332.375 4.408 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc2ccccc2o1 8447893 XSOXPBKUVCJVQM-ZDUSSCGKSA-N 326.421 4.140 0 40 EIAB O=C(Nc1ccc(F)cc1)c1c[nH]c(=S)n1-c1ccc(F)cc1 11594528 ALQAFDBAPNSFSW-UHFFFAOYSA-N 331.347 4.065 0 40 EIAB COc1cccc(C2(NC(=O)c3csc(C(C)=O)c3)CCCC2)c1 12197543 XVHHODGYXHKBIW-UHFFFAOYSA-N 343.448 4.159 0 40 EIAB Cc1ccc(-c2nc(N3CCC(C)CC3)ncc2-c2ccncc2)cn1 12232733 UPNRMPBUJCJSRE-UHFFFAOYSA-N 345.450 4.145 0 40 EIAB Cc1ccccc1-n1c(N)c(C(=O)N2CCCCCC2)sc1=S 12415613 XYWDHFZDOZUYFH-UHFFFAOYSA-N 347.509 4.175 0 40 EIAB CCCCOc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12441500 RHQGTXTZLYPSRD-FQEVSTJZSA-N 339.435 4.079 0 40 EIAB CCCn1ccnc1SCc1cc(=O)oc2c(C)c(C)ccc12 12578197 IWYJFAKWUNEKDO-UHFFFAOYSA-N 328.437 4.309 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CSc1nncc2ccccc12 12851249 HNGDXCPUOXEWHR-UHFFFAOYSA-N 343.839 4.322 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 12865808 AHGFBPQSDDOKKH-HOTGVXAUSA-N 326.440 4.077 0 40 EIAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(Cl)cc1 14180823 PGMZGMWRQBETSP-MRVPVSSYSA-N 339.873 4.129 0 40 EIAB CNC(=O)c1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1 15318342 FDGOPHOMUXIGQH-UHFFFAOYSA-N 342.782 4.007 0 40 EIAB COc1ccc(CCN(C)C(=O)c2cccc3ccccc23)cc1OC 15846483 DVDIIPQLDCMPFY-UHFFFAOYSA-N 349.430 4.172 0 40 EIAB Fc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17150081 QOAOQAXBVKLIPC-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB Cc1ccc(-c2nnc([C@H](C)SC(=S)N3CCCC3)o2)cc1 17665447 UMUFJQQJGVLHOH-LBPRGKRZSA-N 333.482 4.220 0 40 EIAB Cc1nn2c(=O)c(CCC(C)C)c(C)[nH]c2c1-c1ccc(F)cc1 18222473 AKGUOCNLISQOSM-UHFFFAOYSA-N 327.403 4.034 0 40 EIAB Cc1nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)c2ccccn12 19240678 ZRNAUBCUAUPYAZ-INIZCTEOSA-N 341.405 4.301 0 40 EIAB COc1ccc([C@@](C)(O)[C@H](CN2CCCCC2)c2ccccc2)cc1 21169979 PUNVHTFMJIWTCK-FGZHOGPDSA-N 339.479 4.172 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1NC1CCCCC1 22072173 QMQFVJHQYLEZID-UHFFFAOYSA-N 325.412 4.087 0 40 EIAB COc1ccc(NC(=O)CCSc2ccc(C)c(C)c2)cc1OC 23131454 VOFQCPFNJPYFQC-UHFFFAOYSA-N 345.464 4.442 0 40 EIAB Cc1csc(NC(=O)COC(c2ccccc2)c2ccccc2)n1 32894834 GJWZQIBMZUTBCD-UHFFFAOYSA-N 338.432 4.196 0 40 EIAB Cc1csc2c(N3CCC(C#N)(c4ccccc4)CC3)ncnc12 34042562 PVXNUMDZJATWOH-UHFFFAOYSA-N 334.448 4.062 0 40 EIAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(F)c1 36620548 NOYPMBHACILROW-MRXNPFEDSA-N 339.819 4.005 0 40 EIAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN(C)C1CCCCC1 37530283 ZKGHLKYIPSVZNW-MTFMMBMASA-N 325.537 4.089 0 40 EIAB CC(=O)Nc1cccc(OC(=O)c2cc(C3CC3)nc3ccccc23)c1 39969517 FOASRYNGEFGSND-UHFFFAOYSA-N 346.386 4.290 0 40 EIAB COc1cc([C@H](C)NC(=O)c2ccoc2)ccc1OC1CCCC1 40121428 XJZCIWJSBXJQRU-ZDUSSCGKSA-N 329.396 4.101 0 40 EIAB CSc1nn(CN2CCCc3c(F)cc(F)cc32)c(=S)s1 40139203 LKRITQDUFVUUAU-UHFFFAOYSA-N 345.465 4.084 0 40 EIAB Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1C 44257128 WLKCIQDKFQXBHG-UHFFFAOYSA-N 325.799 4.395 0 40 EIAB O=C(O)CCOc1ccc(/C=C/c2nc3ccccc3s2)cc1 47202719 ZHOVMMCGFVRVEX-JXMROGBWSA-N 325.389 4.320 0 40 EIAB COc1cccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)n[nH]2)c1 57413771 UDYUCVNTTWQOTK-UHFFFAOYSA-N 349.434 4.139 0 40 EIAB CC(C)OCCOCc1cccc(NC(=O)NCc2ccsc2)c1 62451052 NZYDLZKIFYFOHU-UHFFFAOYSA-N 348.468 4.011 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC(=O)NCCC(=O)N1CCCC1 69386483 ZKCFZEKMCHTYSB-UHFFFAOYSA-N 345.487 4.067 0 40 EIAB C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1 69618688 GCZQWOUXRFFWAX-AWEZNQCLSA-N 337.448 4.015 0 40 EIAB Fc1cccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)c1 69974127 FKZFJGIKFKHSIL-UHFFFAOYSA-N 330.403 4.353 0 40 EIAB CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(F)c3F)c2)n1 75106102 GLSSXHQJIDNEKN-UHFFFAOYSA-N 343.333 4.138 0 40 EIAB C[C@@](O)(CNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 75155396 BGZRVESDVJYRQL-JOCHJYFZSA-N 346.430 4.383 0 40 EIAB O=C(c1ncoc1[C@@H]1CCCO1)N1CCCC2(CCCCCC2)C1 81304712 HNMVWNNFNBMNQQ-HNNXBMFYSA-N 332.444 4.103 0 40 EIAB CC(C)(C)NC[C@H](O)c1cccc(OCc2ccccc2)c1Cl 95080052 ORKQRUDPHISWJM-INIZCTEOSA-N 333.859 4.341 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NCc2ccc(OC(C)C)c(F)c2)c1 95422039 RJTDZPMWZGVWEO-AWEZNQCLSA-N 344.430 4.422 0 40 EIAB CC(C)CCc1noc(COc2cccc(Oc3cccnc3)c2)n1 95455646 YDLINXRSUHXKHB-UHFFFAOYSA-N 339.395 4.425 0 40 EIAB CS[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 96434804 POBGPZZOZZEIKX-JJRVBVJISA-N 335.517 4.057 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1c(F)cccc1OC 96440877 MZSHWWSLFRYNJG-CZUORRHYSA-N 345.418 4.083 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1F)C1CCC1 96467168 LGOIFXSDZHOEBJ-GFCCVEGCSA-N 345.418 4.256 0 40 EIAB Cc1ncsc1CCN[C@@H](C)c1ccccc1Br 97032977 UPYRDHOPKFVKSS-JTQLQIEISA-N 325.275 4.107 0 40 EIAB CC(C)c1cc(O)c2c(c1O)[C@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1 104097017 MCMQSPNBTJWIEO-ARGWCVDVSA-N 330.424 4.287 0 40 EIAB O=C(NC[C@H]1Cc2ccccc21)c1ncoc1-c1ccccc1Cl 173141836 RLGSOBYHRVJRBO-CYBMUJFWSA-N 338.794 4.065 0 40 EIAB COc1cc(SC)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C 192681059 YYBYFWLUZANWCE-MRXNPFEDSA-N 345.468 4.125 0 40 EIAB Ic1cccc(Nc2nc3ccccc3o2)c1 199811595 UJWDPLKPHYJVOR-UHFFFAOYSA-N 336.132 4.176 0 40 EIAB COc1ccc(CCC(=O)NCCSC2CCCCC2)cc1C 222830005 YSPYFWUJJCKVIL-UHFFFAOYSA-N 335.513 4.118 0 40 EIAB C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223244815 FHWGFYWXLQGQLU-ZDUSSCGKSA-N 329.827 4.085 0 40 EIAB CCOc1ccc(-c2cnc(CCC(=O)NC3CCCCC3)o2)cc1 224855313 RSXIHRXBEUFKSE-UHFFFAOYSA-N 342.439 4.122 0 40 EIAB CN(Cc1ccco1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 225688870 NDXBYZFNZWQVKH-UHFFFAOYSA-N 346.477 4.401 0 40 EIAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(C)c(C)c1 225713035 BZDJMORIGMXYBX-OAHLLOKOSA-N 329.469 4.145 0 40 EIAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN(CC3CC3)C2)n1 257289445 PYQFRBGQRXZTLM-INIZCTEOSA-N 342.512 4.488 0 40 EIAB O=C(Cc1cn2ccsc2n1)Nc1cccc(-c2ccccc2)c1 553686663 LUBYXYKEXUQXMV-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 575610912 QXIHSPUNPOSPOL-OAHLLOKOSA-N 343.473 4.248 0 40 EIAB Cc1ccc(CCCN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 1643056436 DROLLXKCLBOZJO-ZLNRFVROSA-N 335.491 4.432 0 40 EIAB CCOc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1 83250 HVMISXKMTUSREX-NSHDSACASA-N 330.453 4.106 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn23)c1 385559 IHWVGJWGSFOKNQ-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB c1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 413654 YLMZRAUHKCNUIU-UHFFFAOYSA-N 343.386 4.342 0 40 EIAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccccc1 427385 PTILNOONYUPHAF-UHFFFAOYSA-N 343.839 4.257 0 40 EIAB CC(C)N1C(=O)N(c2cccc3ccccc23)[C@](C)(O)CC1(C)C 494309 KGCSPJMRDSVBJL-HXUWFJFHSA-N 326.440 4.367 0 40 EIAB O=C1OC(c2ccco2)=N/C1=C\c1ccccc1OCc1ccccc1 552620 NDLSACVQVHCMTR-LGMDPLHJSA-N 345.354 4.203 0 40 EIAB CCCCCCC(=O)OCC(=O)c1ccc(Br)cc1 1599908 NCJDKTGJWRJQDV-UHFFFAOYSA-N 327.218 4.145 0 40 EIAB CCOc1ccccc1NC(=O)CSc1c[nH]c2ccccc12 4108480 WZUPNNPINBXARI-UHFFFAOYSA-N 326.421 4.297 0 40 EIAB CO[C@](F)(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F 4141914 UBUXXUMYLQEXBP-OAHLLOKOSA-N 343.276 4.292 0 40 EIAB CC[C@@H](C(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 4685283 UBXDHLLNNQNDLQ-MRXNPFEDSA-N 337.448 4.261 0 40 EIAB COc1ccc(-n2c(CNc3cccc(Cl)c3)n[nH]c2=S)cc1 4973835 OLZDUMXYMZBMGB-UHFFFAOYSA-N 346.843 4.204 0 40 EIAB O=C(Nc1ccnn1Cc1ccccc1)c1cccc(C(F)(F)F)c1 5256281 MVHVGBOQXYATKN-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB O=C(CSc1ccc2ccccc2c1)OCc1cn2ccccc2n1 5266943 QZXMOIZAERPMGA-UHFFFAOYSA-N 348.427 4.323 0 40 EIAB C[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1 5348058 RTOVSWPWNYKPES-HFSMHLIXSA-N 331.500 4.061 0 40 EIAB CCN(CC)c1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCC3 5353506 XZCUCFPERHRIEX-UHFFFAOYSA-N 338.455 4.304 0 40 EIAB O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1Cc1ccco1 6424092 DGEMAWXFIMKMRL-UHFFFAOYSA-N 340.429 4.429 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)c1 6815928 TTWNSXDSESKGIN-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)O 6960996 XYXVCWPFYNNDPP-KEBDBYFISA-N 347.798 4.261 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2nc(C)c(C)c(C)n2)c(Cl)c1 7252738 ZPXSKCVYUUCUKN-UHFFFAOYSA-N 349.887 4.403 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)noc1C 7398996 IWNJGASSMFXKSU-UHFFFAOYSA-N 330.428 4.169 0 40 EIAB CSc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 8169564 IERDTBAVEMFRDY-XNTDXEJSSA-N 344.823 4.159 0 40 EIAB COc1ccc2nc(N3C(=O)CS[C@@H]3c3ccccc3)sc2c1 8715614 ABPQOPJBBOETLR-MRXNPFEDSA-N 342.445 4.084 0 40 EIAB O=C(c1ccccc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8869398 NCYWSVWFSOLDTQ-SFHVURJKSA-N 329.827 4.161 0 40 EIAB COc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 9156116 VIZICDRDBKEOEO-UHFFFAOYSA-N 342.395 4.139 0 40 EIAB O=C(CCc1cccnc1)N[C@H](c1ccc(F)cc1)c1cccs1 9368896 JAQBLRIDDDGZEW-LJQANCHMSA-N 340.423 4.121 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 11612280 VPRPANWSSJGICN-FGTMMUONSA-N 336.479 4.418 0 40 EIAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 12528226 KXWONEBFQKLLHQ-FQEVSTJZSA-N 345.402 4.251 0 40 EIAB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(-c2ccccc2)cc1 14215872 CWOBJTYVSVVWQC-CQSZACIVSA-N 329.407 4.203 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 14737970 AVVDJBYGRLMUQZ-NEFAXPCMSA-N 327.468 4.095 0 40 EIAB CN(Cc1ccsc1)C(=O)Cc1coc2cc3c(cc12)CCC3 17370994 LLSROODPLKFNHA-UHFFFAOYSA-N 325.433 4.184 0 40 EIAB COc1ccccc1NC(=O)CCn1c(C(F)F)cc2cccnc21 19571222 DADBTDOIRFFTKC-UHFFFAOYSA-N 345.349 4.011 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 20108680 HZWYYDVLVMUZCY-JKSUJKDBSA-N 349.430 4.493 0 40 EIAB Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3ccccc3c2C1 20763178 YMGYPUHYQQMESZ-UHFFFAOYSA-N 343.430 4.085 0 40 EIAB biogenic C[C@@H](Sc1ncnc2ccsc12)c1nc(-c2ccco2)no1 29740344 NFBKDZYOTAYPTQ-MRVPVSSYSA-N 330.394 4.188 0 40 EIAB Cc1nc(C2CC2)nc2sc(C(=O)N3CCCC[C@H]3C)c(C)c12 32908085 KLAPJLXJHSDKEC-SNVBAGLBSA-N 329.469 4.200 0 40 EIAB COc1ccccc1[C@]1(O)C[C@@H](c2ccccc2)Oc2ccccc21 38338101 UAJMXURETQEZQJ-FCHUYYIVSA-N 332.399 4.455 0 40 EIAB O=C(Nc1cccnc1)c1ccc(CN2CCCc3ccccc32)cc1 38772959 NFQINCRUWBLEIE-UHFFFAOYSA-N 343.430 4.287 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 40150748 UUBYGJNIQBUSJP-GOSISDBHSA-N 337.467 4.279 0 40 EIAB CN(C(=O)CSc1ncc(-c2ccc(F)cc2)o1)C1=CCCC1 42709236 KORZDRXZVXTMNV-UHFFFAOYSA-N 332.400 4.099 0 40 EIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H]2CCCC[C@@H]21 43010373 UTLWUPOTNWXFBJ-UXPWSPDFSA-N 343.467 4.039 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 44933083 QOBKHXOBFDEIEE-OAQYLSRUSA-N 345.446 4.047 0 40 EIAB Cc1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49600868 GZCYZQPFQWVSBP-UHFFFAOYSA-N 328.419 4.152 0 40 EIAB CCCCNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765062 ISJNRFWRKMPGLU-UHFFFAOYSA-N 335.791 4.107 0 40 EIAB CN(Cc1nccn1CC(F)(F)F)CC12CC3CC(CC(C3)C1)C2 58392266 HBGFFQCDTSVGBQ-UHFFFAOYSA-N 341.421 4.094 0 40 EIAB O=C(Cc1coc2ccc3ccccc3c12)NC1CCSCC1 58419844 JORRLOLGXMJLEB-UHFFFAOYSA-N 325.433 4.140 0 40 EIAB COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1Br 59461393 LTTHKUWPSIQAKI-OAHLLOKOSA-N 349.253 4.155 0 40 EIAB CC[C@@H](C)NC(=O)c1cccc(CNCc2csc(C(C)C)n2)c1 69630535 WLLRHHWCOFRNOT-CQSZACIVSA-N 345.512 4.085 0 40 EIAB Cc1ccnc(Oc2ccc(C(=O)Nc3ccccc3Cl)cc2)n1 70655618 OUZKZYSLKQWVGM-UHFFFAOYSA-N 339.782 4.483 0 40 EIAB CCOc1ccccc1C1CCN(C(=O)c2sc(C)nc2C)CC1 71841886 CKHVSDFBSHMTDT-UHFFFAOYSA-N 344.480 4.178 0 40 EIAB Cc1ccc([C@@H](C)NCc2cccc(COC3CCOCC3)c2)o1 95422335 RVMNPMKBWFTPFP-MRXNPFEDSA-N 329.440 4.134 0 40 EIAB CC(C)C(=O)Nc1ccc(N[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 95990525 DMBIXYFZXSHCFJ-SHACYNPGSA-N 344.480 4.192 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1OC(F)(F)F 108986431 QUGPLYFWGWULSF-OBJOEFQTSA-N 327.346 4.028 0 40 EIAB Cc1ccc(OCCCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 216367887 LONSOIDCGZPEFX-UHFFFAOYSA-N 331.843 4.466 0 40 EIAB CC(C)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 218960021 BQBHJWCVUDBGFV-KRWDZBQOSA-N 325.452 4.326 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1C 225298832 UQRQDOVBMNWLPC-NRFANRHFSA-N 347.462 4.429 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(Cl)cc2)c1 225305750 KRAQIELBLYSXPG-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC)c(F)c2)cc1 225391029 GXKQEYZAJUULEB-GOSISDBHSA-N 345.414 4.360 0 40 EIAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225571420 KXDJXHIMCHLCRK-QGZVFWFLSA-N 347.842 4.303 0 40 EIAB Cc1cccc(C[C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)n1 257202178 AKTOUNRKMIEWCS-QGZVFWFLSA-N 345.446 4.033 0 40 EIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 408706474 YMCJOVNUQHIYJR-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB CCCCN1C(=O)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O 409056565 HIQQYGFAZFSPSL-VBKFSLOCSA-N 349.452 4.320 0 40 EIAB Cc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 409144433 KBDTZEFLZGUPAG-INIZCTEOSA-N 345.851 4.455 0 40 EIAB S=C1NC(c2ccc(Br)cc2)=C[C@@H](c2ccccc2)N1 86552 KFOQILNOENBZMU-AWEZNQCLSA-N 345.265 4.009 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)COc1cccc(C(C)C)c1 113629 LELDYQGXZBORCO-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC)CC2=O)cc1 252000 WINLGPZAYVIGNH-MRXNPFEDSA-N 333.435 4.139 0 40 EIAB Cc1ccc2cc3c(N)c(C(=O)N4CCCC[C@H]4C)sc3nc2c1 422318 JRYCGWHCMKEXPE-GFCCVEGCSA-N 339.464 4.355 0 40 EIAB Cc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 582651 MXIMEXHYKZCOLU-UHFFFAOYSA-N 337.444 4.391 0 40 EIAB CCOc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 1184340 RBLQQLMRGZMJLT-FOWTUZBSSA-N 325.389 4.326 0 40 EIAB COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1OC 1588990 KOJWTTVTBGNMDB-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB S=C(Cc1ccccc1)N1CCN(c2ccccc2Cl)CC1 1730966 XYERPWOKXLNDHE-UHFFFAOYSA-N 330.884 4.032 0 40 EIAB CC(C)c1nc2oc3c(N4CCCCC4)ncnc3c2c2c1CCC2 2202936 QKZXZMWGSKHNGX-UHFFFAOYSA-N 336.439 4.373 0 40 EIAB CCCCOc1ccc(Cn2c(=O)sc3ccccc32)cc1OC 2700360 GEEHLPRUBVMJGB-UHFFFAOYSA-N 343.448 4.299 0 40 EIAB O=C(CCC(=O)c1ccc(F)cc1)OCc1nc2ccccc2s1 3248670 LOUNSIKSQWOQDV-UHFFFAOYSA-N 343.379 4.142 0 40 EIAB Cc1nc(N2CCCCC2)sc1[C@H]1Sc2ccccc2NC1=O 3353385 BIPVPRKZBKLPMC-OAHLLOKOSA-N 345.493 4.227 0 40 EIAB CN(Cc1cccs1)C(=O)CSc1nc2ccccc2s1 3402743 HJWZULIFUVNUTJ-UHFFFAOYSA-N 334.491 4.109 0 40 EIAB N=c1scc(-c2ccc(Br)cc2)n1-c1ccccc1 4030177 JWRDGGNQPQANHO-UHFFFAOYSA-N 331.238 4.448 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sccc12 4313376 IWVYXLOZMYOZJN-UHFFFAOYSA-N 339.445 4.456 0 40 EIAB O=C(CN(CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 5799776 IZLNJEKOWAGRAB-UHFFFAOYSA-N 329.399 4.259 0 40 EIAB O=C(Cc1ccccc1Cl)Nc1ccc(Br)cc1F 6377202 NBKXQZVENYPVBQ-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 6383982 BBEFAKISIFKUDD-CYBMUJFWSA-N 346.386 4.006 0 40 EIAB Cc1ccc(-n2c(=O)c(CCc3ccccc3)nc3ccccc32)cc1 6560665 DMEFFGKWTZCBLH-UHFFFAOYSA-N 340.426 4.479 0 40 EIAB COc1ccc(OC)c(NC(=S)Nc2ccc(C)c(Cl)c2)c1 7529395 UNHDQKBLUNRXTE-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NC(C)C)n2)cc1 7643800 BVVBOZQCUXBYDP-ZDUSSCGKSA-N 331.485 4.088 0 40 EIAB COc1cc(SC)ccc1C(=O)NCCc1ccc(Cl)cc1 7735298 HBCTUGZTGCFZFE-UHFFFAOYSA-N 335.856 4.043 0 40 EIAB CCCc1nnc(NC(=O)c2oc3ccccc3c2COCC)s1 8230037 YVKLBMPIVIVBTI-UHFFFAOYSA-N 345.424 4.026 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nc3c(s2)CCCC3)c1 8673572 PFCGMYLNRNSBAJ-CYBMUJFWSA-N 330.453 4.045 0 40 EIAB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 8761920 ZNOBUKXNRQWGMQ-UHFFFAOYSA-N 348.402 4.327 0 40 EIAB CCc1nnc(CSc2nnc(Nc3ccccc3CC)s2)o1 9112905 RPCDMJDXVPNUOZ-UHFFFAOYSA-N 347.469 4.082 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cccc3c2CCCC3)c1 9220819 MNXWQKMCIDTMEL-CQSZACIVSA-N 336.435 4.207 0 40 EIAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(F)cc1Cl 10311022 CHGAWYMDCBDXKC-KRWDZBQOSA-N 332.806 4.255 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)c(OC)c1 13820330 FYEMBHFRTAYNCF-CQSZACIVSA-N 344.480 4.012 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)NCc3ccccc3)s2)cs1 14185713 CRFVZKHHCUVNCN-UHFFFAOYSA-N 343.477 4.179 0 40 EIAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1F 14256382 MTUNGYAXGJRUQI-UHFFFAOYSA-N 325.380 4.063 0 40 EIAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 14400883 UENICCVHEDMFHC-CQSZACIVSA-N 349.883 4.324 0 40 EIAB COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCCC2 14554178 QEVXNCXOONTUBS-UHFFFAOYSA-N 348.493 4.395 0 40 EIAB CCCCN(C(=O)c1nn(-c2ccccc2)nc1C)c1ccccc1 14717491 SZNODIMTCXUGMA-UHFFFAOYSA-N 334.423 4.023 0 40 EIAB O=C(COc1cccc2ccccc12)NCCc1ccc(Cl)cc1 14738405 SBWHHCBGRZNXOG-UHFFFAOYSA-N 339.822 4.231 0 40 EIAB Cc1ccc(-c2nc(C(=O)Nc3nc4c(s3)CCC4)cs2)cc1 15637015 CPDLHAXRSAZUAP-UHFFFAOYSA-N 341.461 4.316 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(F)cc1 20482257 RYGICXZUFXWLGX-LJQANCHMSA-N 343.442 4.349 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)CCSc2ccccc2)cc1 20489159 LLDLPEAFBUUDOP-HNNXBMFYSA-N 329.465 4.445 0 40 EIAB CC[C@@H](C(=O)Nc1cnn(Cc2cccc(F)c2)c1)c1ccccc1 28220542 JBCIFWMYHNBSII-LJQANCHMSA-N 337.398 4.203 0 40 EIAB CCOc1ccc([C@@H](O)CN(CC)Cc2ccccc2)cc1Cl 31911885 AZNBGNBPRGNVJY-SFHVURJKSA-N 333.859 4.294 0 40 EIAB CSc1nc2ccc(NC(=O)c3ccnn3C(C)C)cc2s1 36701760 JUHVTVIUMRHGOA-UHFFFAOYSA-N 332.454 4.048 0 40 EIAB Cc1ccc(NC(=O)NCC2CCN(C3CCCC3)CC2)cc1C 38674512 HBAFPQIBVYWSRK-UHFFFAOYSA-N 329.488 4.080 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913191 PJVYEUBFBRIASX-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Cl 41095640 KAKNTYUWDQXZGO-UHFFFAOYSA-N 345.892 4.082 0 40 EIAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1 54362833 GKISZXRFGRLEBP-MRXNPFEDSA-N 339.435 4.269 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1c(F)cccc1F 54566804 HUBXGJDSBPGHPA-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)[nH]n1 57413526 OMBZEQOSFQOLQP-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@H](C)CC1 58423883 DNJLYVNFWALJEU-AWEZNQCLSA-N 342.439 4.133 0 40 EIAB O=C1NCCCC[C@H]1Sc1nnc(-c2ccccc2)c2ccccc12 64025392 CAGOOQJTUKOAOF-QGZVFWFLSA-N 349.459 4.058 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(Cl)c1 65548998 LUKWWHCPOOPVRH-LBPRGKRZSA-N 346.814 4.013 0 40 EIAB Cn1cnnc1-c1ccccc1NC(=O)c1cccc(Cl)c1Cl 68727211 WGIIZWNQYSSPKK-UHFFFAOYSA-N 347.205 4.041 0 40 EIAB Cc1oc(-c2ccco2)nc1COc1cccc(Oc2ncccn2)c1 69618833 NJBPJBMZFBUSGO-UHFFFAOYSA-N 349.346 4.404 0 40 EIAB Cc1cc([C@@H](C)NC(=O)c2cccnc2NC2CCCC2)c(C)o1 71911662 UEAZACIFDWRWMK-CYBMUJFWSA-N 327.428 4.137 0 40 EIAB CCCOc1ccc(CNc2cccc(C(=O)O)c2)cc1OCC 76275731 VIJURQSVBZSWDF-UHFFFAOYSA-N 329.396 4.184 0 40 EIAB O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCOc2ccccc21 76791276 CMGYDWLRHYYJRT-HNNXBMFYSA-N 336.416 4.315 0 40 EIAB Cc1cc(C[S@@](=O)[C@@H](c2ccccc2)c2ccccc2C)no1 78394603 VKSHHSSUMGCPBT-CVDCTZTESA-N 325.433 4.330 0 40 EIAB C[C@@H]1CCCCN1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 90399047 HBTWYTKLXFEOBB-XLIONFOSSA-N 335.447 4.385 0 40 EIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C1CCCCCC1 95469861 QOEWXJIYTVOMIE-FQEVSTJZSA-N 340.467 4.132 0 40 EIAB Cc1cc(N(C)[C@@H](C)c2sc(C)nc2C)nc(-c2ccncc2)n1 95959051 SLUWTPBTCOSCFL-ZDUSSCGKSA-N 339.468 4.118 0 40 EIAB O=C(/C=C/c1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423405 ZIWBTGSKTDNGHQ-JBVUPVCNSA-N 346.474 4.012 0 40 EIAB CCOc1ccc([C@@H]2C=C(c3ccc(C)cc3)N=C3N=NNN32)cc1 100536587 PSFHJIXOWIAKGG-SFHVURJKSA-N 333.395 4.033 0 40 EIAB Cc1nc(S[C@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)nc2c1CCCC2 100987857 ICBMSLDVHUITMU-AXHNFQJDSA-N 330.497 4.150 0 40 EIAB C[C@@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H]1C[C@H]2CC[C@H]1C2 104735538 GVRYMCWOINWJNV-XGKMFUNXSA-N 345.442 4.453 0 40 EIAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 109037713 YYDJJHKWQILILX-FZCLSBEQSA-N 342.483 4.114 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC)c(OC)c2)cc1 113968947 IHOAVAUEVZQPBT-QGZVFWFLSA-N 343.423 4.062 0 40 EIAB CC(=O)c1ccc(NC(=O)Nc2c(C)noc2C2CC2)cc1Cl 122402365 GAVKKLJSVPJAAE-UHFFFAOYSA-N 333.775 4.360 0 40 EIAB NC(=O)c1cn(C(=O)c2cccc3c(Cl)cccc23)c2ccccc12 216951039 KWVKNGSPRCEXKX-UHFFFAOYSA-N 348.789 4.235 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 224292954 BTSXWYDQHROBPR-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB COc1ccccc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225096681 CWYLZTPWCJLZMN-GOSISDBHSA-N 328.408 4.067 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3)CCCC2)s1 225680349 IAPJELODLIOCGF-CQSZACIVSA-N 329.465 4.043 0 40 EIAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1C 225756971 PFOWYWJKRUOHPN-HNNXBMFYSA-N 328.437 4.161 0 40 EIAB COc1ccccc1NC(=O)NCCCc1ccc(OC(C)C)cc1 225768875 JZGSZMIWIUYBDC-UHFFFAOYSA-N 342.439 4.237 0 40 EIAB CCCCC[C@@](C)(OC)C(=O)Nc1cnc(OCCCC)c(C)c1 225887080 IQALACZCQVAMOY-LJQANCHMSA-N 336.476 4.493 0 40 EIAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1OC 408589077 YIMWAVZHHKDMMU-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB CC[C@@H](C)[C@@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 575443041 DTIMJGYGBDYIEF-RDTXWAMCSA-N 336.439 4.150 0 40 EIAB O=C(c1ccoc1C1CC1)N1CCC[C@H](c2c[nH]c3ncccc23)C1 585129023 VHLFLKIRIJWANH-AWEZNQCLSA-N 335.407 4.053 0 40 EIAB O=C(NCc1ccc(F)cc1)NCc1cc(-c2ccco2)cs1 1775969058 VPNIEHAEINASGX-UHFFFAOYSA-N 330.384 4.147 0 40 EIAB c1ccc(Nc2nc([C@H]3CCCN3Cc3nccs3)cs2)nc1 2037846737 WRZDWTISDIHRGI-CYBMUJFWSA-N 343.481 4.075 0 40 EIAB O=C1OC(c2ccc(F)cc2)=N/C1=C/C(Cl)=C/c1ccccc1 430188 UCBLOXZOFUTZDP-DGIOSINNSA-N 327.742 4.293 0 40 EIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1F 1505501 NWMRRYJXKCYXDI-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB CCOC(=O)c1ccc(CSc2ccccc2C(=O)OCC)cc1 1624340 VWZMYQGKFOPLPK-UHFFFAOYSA-N 344.432 4.332 0 40 EIAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccccc1 1660123 NWHZCAHINMSRQA-RCCQNZRSSA-N 327.383 4.135 0 40 EIAB COc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 2426707 XEPONGAGERMXIZ-CABCVRRESA-N 336.218 4.221 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 3217238 MGSRUMKBLUDONI-INIZCTEOSA-N 345.826 4.324 0 40 EIAB CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 3376574 HDSOYSZFZWYHLO-GFCCVEGCSA-N 331.799 4.086 0 40 EIAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1 3885011 ZDXPPQLCLKFYBQ-WYMLVPIESA-N 331.371 4.428 0 40 EIAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2Br)C1=O 4472196 HCLQPLZZNDNEBQ-YXYQAXARSA-N 340.242 4.284 0 40 EIAB CCc1ncc([C@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 5502421 SHRCSHVAIBZNBJ-LJQANCHMSA-N 326.827 4.229 0 40 EIAB COC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1 5864387 JGRRJPHGXMXHDH-UHFFFAOYSA-N 340.404 4.124 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 5880718 VBOKZKYIVMJVKN-UHFFFAOYSA-N 347.749 4.123 0 40 EIAB O=C1S/C(=C\c2cc3ccccc3oc2=O)C(=O)N1c1ccccc1 6495972 ZDQIIDVXOZITQP-WJDWOHSUSA-N 349.367 4.034 0 40 EIAB CCSc1nc2ccccc2n1Cc1nnc(-c2ccccc2)o1 6665606 FXQFZJNKDXRIPG-UHFFFAOYSA-N 336.420 4.247 0 40 EIAB O=C(Cc1ccccc1Cl)NCCc1ccc(C(F)(F)F)cc1 7007160 RSTLEJWAJXSYSQ-UHFFFAOYSA-N 341.760 4.260 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)ccc1OC 7654355 DOONIENMMUYREL-VZUCSPMQSA-N 331.799 4.399 0 40 EIAB O=C(/C=C/c1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8327852 KZWLZXSUECZFGI-ACCUITESSA-N 349.430 4.400 0 40 EIAB Cc1c(Cl)c(COC(=O)c2ccc(O)cc2)nc2ccccc12 8447286 LXCWWSWYZQILCO-UHFFFAOYSA-N 327.767 4.259 0 40 EIAB C[C@@H]1CCCCN1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 8747849 MGMIYLSZUGFUKH-LLVKDONJSA-N 345.493 4.088 0 40 EIAB COc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1Cl 11465762 ASSTWCSEMUJFCI-INIZCTEOSA-N 333.840 4.313 0 40 EIAB O=Cc1nc2ccccc2n1CCCCOc1ccccc1Cl 11735037 DBHFPBIKVHYAFU-UHFFFAOYSA-N 328.799 4.361 0 40 EIAB Cn1cncc1CN[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 12087515 CDJGIYHFOCMFSK-RDGPPVDQSA-N 329.875 4.136 0 40 EIAB COc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC 12824616 BWWCQLKNNPTEOD-QGZVFWFLSA-N 327.424 4.221 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)Nc3nc(C)cs3)ccc2c1 12935676 MKBFVFBMSZQXFZ-GFCCVEGCSA-N 326.421 4.356 0 40 EIAB Cc1cc(C)c2cc3c(nc2c1)OCCN(CCOc1ccccc1)C3 13563806 QOXFQGGSMLVHPG-UHFFFAOYSA-N 348.446 4.125 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2cccc(C)c2C)c(F)c1F 14258155 XSOYSCAQTRQIHL-UHFFFAOYSA-N 327.277 4.121 0 40 EIAB O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2ccccc12 14768202 OBDUUEITYHUFCW-UHFFFAOYSA-N 326.359 4.270 0 40 EIAB biogenic c1cncc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 15906771 RAPXSDWLIGKFFK-VQIMIIECSA-N 333.416 4.385 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2nccs2)cc1 19205630 HQFLTPRMYMZHFJ-UHFFFAOYSA-N 335.388 4.133 0 40 EIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(F)c1 20138150 AOBWRTXOFMTSGJ-UHFFFAOYSA-N 345.757 4.484 0 40 EIAB COC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 21991584 XWFWMYFLNHTEBF-TWYNJABESA-N 330.468 4.308 0 40 EIAB O=C(Cc1ccccc1F)N1CCCc2cc(C(F)(F)F)ccc21 24467363 CJHDGSSANYWYAF-UHFFFAOYSA-N 337.316 4.366 0 40 EIAB CCOc1ccc(OCC)c(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)c1 25734482 NWZPXSVJZIZUIE-AAEUAGOBSA-N 346.452 4.202 0 40 EIAB Cc1noc(C)c1CN(C(=O)Cc1cccs1)c1ccccc1 25884141 KXWPMLGDKUKICI-UHFFFAOYSA-N 326.421 4.129 0 40 EIAB O=C(Nc1cccc(CNC2CC2)c1)c1ccc(Cl)cc1Cl 26303419 YKRPBWZVZQWZEA-UHFFFAOYSA-N 335.234 4.498 0 40 EIAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)c4ccccc43)c2)cs1 38488483 NYOOLHUEGDCGSH-KRWDZBQOSA-N 348.427 4.427 0 40 EIAB O=C(c1cccc(-c2nc3cc(Cl)ccc3o2)c1)N1CCCC1 41127537 JDLYVWUWEDIGMV-UHFFFAOYSA-N 326.783 4.384 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCSc3ccccc32)on1 43167640 YGXOYZALZBINNP-HUUCEWRRSA-N 343.452 4.067 0 40 EIAB CCOc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44278910 TYURIFYMBNVYMI-UHFFFAOYSA-N 341.798 4.177 0 40 EIAB Cc1cc(-n2c(C)cc(C(=O)CSc3ccc(O)cc3)c2C)no1 47894815 KBHNSZVJKWHBKZ-UHFFFAOYSA-N 342.420 4.071 0 40 EIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 58208586 YLKWAFFGQLEGKQ-UHFFFAOYSA-N 336.863 4.339 0 40 EIAB O=C(Nc1ccc(-c2nnco2)cc1)c1cc2cc(Cl)ccc2[nH]1 58292069 AFAWWCSVVWEPIE-UHFFFAOYSA-N 338.754 4.124 0 40 EIAB O=C(/N=c1\[nH]c2ccccc2n1-c1ccccc1)c1ccccc1Cl 58377975 WNHAPUWGABFQNU-UHFFFAOYSA-N 347.805 4.353 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCc1ccccc1 61002744 UIRJURKEGMTNDY-UHFFFAOYSA-N 343.833 4.306 0 40 EIAB C[C@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 65594996 XSBSDGVNZWPBAE-YGRLFVJLSA-N 326.824 4.070 0 40 EIAB O=C(CCC1CCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803521 ACBBERAIOMRUDI-UHFFFAOYSA-N 338.455 4.190 0 40 EIAB O=C(NCC1(c2ccccc2)CCOCC1)c1sccc1C1CC1 67163513 MPWJUTUEETVZCJ-UHFFFAOYSA-N 341.476 4.104 0 40 EIAB O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1COc2ccccc2O1 68791621 XPKOUYPMOSZVEQ-FQEVSTJZSA-N 347.370 4.257 0 40 EIAB CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215397 ACECEPREPYDIJR-MRXNPFEDSA-N 331.460 4.142 0 40 EIAB Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 72349950 BQBMDYBDYWURBZ-HXUWFJFHSA-N 346.478 4.170 0 40 EIAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc4c3ccn4C)c12 72401579 GKDRKTXRSIHBCH-UHFFFAOYSA-N 348.406 4.399 0 40 EIAB O=C(Nc1csc(N2CCCCC2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 76094666 PDSDWDRKVRAREE-HUUCEWRRSA-N 345.443 4.015 0 40 EIAB Cc1nc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)c(C)s1 89196224 VRQFLQIJCOBHBM-UHFFFAOYSA-N 328.437 4.361 0 40 EIAB COc1cc(F)c(C(=O)Nc2c(C)cc(Cl)cc2C)cc1OC 95436421 VRGVPNNDMQUAOR-UHFFFAOYSA-N 337.778 4.365 0 40 EIAB CC(C)CCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 95472279 AZJIHPDEPLEHFN-QGZVFWFLSA-N 332.875 4.478 0 40 EIAB Cc1cc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ncccc2c1 95984893 XQQMWNUTBFCHSX-KRWDZBQOSA-N 349.438 4.252 0 40 EIAB CCO[C@@H](C)c1nc(CSc2ccc(NC(C)=O)cc2)cs1 96418316 GSWPPHJGAKSKCN-NSHDSACASA-N 336.482 4.491 0 40 EIAB Cc1csc([C@H](C)CNC(=O)Nc2cccc(C(F)F)c2)n1 96502781 JTAMZKQOSBEYNB-SECBINFHSA-N 325.384 4.314 0 40 EIAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1C 96732438 TUARUQSSWZMVTK-UHFFFAOYSA-N 347.798 4.086 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 104816263 MZRMXSYFSJMQFA-LSTDLKDCSA-N 327.468 4.207 0 40 EIAB Brc1ccc2nc3cc(Br)ccc3nc2c1 113927805 MILNCXRRKCVYAV-UHFFFAOYSA-N 338.002 4.308 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 222949176 VFFURHVJFCNKBN-OAHLLOKOSA-N 337.419 4.174 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1SC 223434323 MBPDTFSILUSNEP-UHFFFAOYSA-N 341.885 4.425 0 40 EIAB COc1ccc(C(=O)NC(C)C)cc1CSc1ccc(C)cc1 224332940 YPMJMYBXSKVBDM-UHFFFAOYSA-N 329.465 4.434 0 40 EIAB COC(=O)c1cc(NC(=O)c2ccc(C)cc2Cl)ccc1Cl 224999033 AKCOIOFNHOENDC-UHFFFAOYSA-N 338.190 4.341 0 40 EIAB COc1ccc(CCC(=O)NC(C)(C)Cc2ccccc2)cc1C 225632839 FUWGUSHWWJYGSQ-UHFFFAOYSA-N 325.452 4.074 0 40 EIAB C[C@@H]1[C@@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)CCC[C@H]1C 253369411 CFYJWEVOTAVRLM-WQYJIASKSA-N 349.540 4.351 0 40 EIAB CC(/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O)=C\c1ccccc1 408976836 UGHBLXOJYCVCMY-ROVOTHTGSA-N 346.455 4.129 0 40 EIAB C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CCCO1 543428875 HNOTUDVFMDDQRB-MAUKXSAKSA-N 331.460 4.074 0 40 EIAB O=C(NCc1cncc(-c2ccoc2)c1)Nc1cccc2cccnc12 575619343 DLWZMVABFXXZSW-UHFFFAOYSA-N 344.374 4.212 0 40 EIAB O=C(Nc1nc(C2CCC2)cs1)N1CCOC[C@@H]1c1ccccc1 579070506 LQUCBYHSNWIPEV-MRXNPFEDSA-N 343.452 4.016 0 40 EIAB Cc1occc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501039987 SWZWXLDKCRRQLN-UHFFFAOYSA-N 342.449 4.188 0 40 EIAB Cc1oncc1CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2087043839 GKUCINZTSBZGDQ-UHFFFAOYSA-N 348.450 4.183 0 40 EIAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 233410 RCZRCQPUEWPIER-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB COc1ccc(-c2c(NCc3ccccc3)n3ccccc3[n+]2C)cc1 413820 FOPUYYDJCDEGKU-UHFFFAOYSA-N 344.438 4.052 0 40 EIAB Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(C)c1 427344 JBJMUURIEPTEDV-UHFFFAOYSA-N 337.448 4.220 0 40 EIAB Cc1ccc(NC(=O)[C@H](CC(=O)O)Cc2ccc(Cl)cc2)cc1C 550315 DQVAAYDQDWPFNI-HNNXBMFYSA-N 345.826 4.229 0 40 EIAB CCOC(=O)CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242955 DCTDVDJDNQPXFQ-UHFFFAOYSA-N 342.235 4.250 0 40 EIAB O=C(c1ccc(Cl)cc1)c1ccc(I)cc1 2392545 YMEUBHUXXVUFID-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 2499120 FLJXFYGZLNWJDM-GFCCVEGCSA-N 331.437 4.254 0 40 EIAB O=C(CCN1CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 2701359 FRMSMCJUMKFORR-UHFFFAOYSA-N 349.261 4.380 0 40 EIAB CCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F 2793429 APMYXUXXNRTJJH-VXGBXAGGSA-N 327.371 4.090 0 40 EIAB O=C(/C=C/c1cccc(Br)c1)N1CCc2ccccc21 3257915 MOLIHBHXDOHTHG-CMDGGOBGSA-N 328.209 4.052 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 3983816 HVPVPQFZGNASDB-QPQISGKWSA-N 326.484 4.056 0 40 EIAB biogenic Cc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)cc1 4890706 UYNGRYWHVDEISA-CYBMUJFWSA-N 341.411 4.078 0 40 EIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 5750805 PJKWBINFJGSACA-CYBMUJFWSA-N 341.407 4.010 0 40 EIAB CN(C[C@@H]1O[C@H]2CCCC[C@H]2c2sccc21)C(=O)c1ccco1 6668063 WQYRCQUADIFDJU-INWMFGNUSA-N 331.437 4.211 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 7037287 ZUCQSKGSDWRENA-MRXNPFEDSA-N 348.240 4.339 0 40 EIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 7406635 JTJIOEZTUXARGS-UHFFFAOYSA-N 343.433 4.082 0 40 EIAB COc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl 7428332 HKWPTOYSJBQQPZ-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(F)cc1 7462044 SYPKDSQDJXMBCK-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB CCCN(C(=O)CSc1nnc(-c2ccco2)o1)C1=CCCCC1 7985753 UHAIBCKQWHQVMI-UHFFFAOYSA-N 347.440 4.118 0 40 EIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccccc1 8181659 FJHHDWGKIRSIRG-CHWSQXEVSA-N 348.240 4.094 0 40 EIAB O=C(NCc1ccco1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383070 BVORLNKEMNGXQM-UHFFFAOYSA-N 339.778 4.094 0 40 EIAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OC 8534883 RXJBOMWQCKWPTE-LFPRZYRFSA-N 329.484 4.398 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)nn1C 9001744 SHZLCPBDTLXTEY-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB O=C1C[C@@H](c2ccsc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 9110660 LLAPIMWUSGGRIL-LBPRGKRZSA-N 329.812 4.266 0 40 EIAB CCN(C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 10383926 XPGXFFFUOJABEZ-RKRCHRGQSA-N 349.559 4.235 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)ccc1Cl 11207907 ANENFBQWMGUAMW-IBGZPJMESA-N 329.827 4.295 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1C 12437308 VZNKPVJIYXDMTG-YHELAOLJSA-N 347.458 4.486 0 40 EIAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl 12553162 DZPQCKKIYSLPAB-BZNIZROVSA-N 332.806 4.083 0 40 EIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1 12805834 NYOVZOKZXLDNII-JLHYYAGUSA-N 346.386 4.063 0 40 EIAB Cc1cccc2cc3c(nc12)O[C@H](F)CN(CCc1ccccc1)C3 13564327 YNDWJXJZMUEGEE-IBGZPJMESA-N 336.410 4.276 0 40 EIAB COC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)s1 15193834 SQMZTHQECROZNN-UHFFFAOYSA-N 349.839 4.249 0 40 EIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2cscn2)cc1 15662399 ACDHCTMWDANQFP-GUYCJALGSA-N 330.453 4.031 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 18214498 VXXZFGFHLDNSRC-UHFFFAOYSA-N 349.883 4.406 0 40 EIAB Cc1ccc(O[C@@H](C)CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 19738232 DYUMWBRPHPTDHV-LAUBAEHRSA-N 341.451 4.432 0 40 EIAB O=C(NC1CCCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 20100360 JFCPFCCBOBVKLN-UHFFFAOYSA-N 348.918 4.391 0 40 EIAB O=C(O)Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 20139497 XTVVPLCDCIFEAV-UHFFFAOYSA-N 345.807 4.434 0 40 EIAB CCCCc1ccc(NC(=O)Cc2cc(OC)ccc2OC)cc1 20447890 NLNJAYOGYKKUFN-UHFFFAOYSA-N 327.424 4.228 0 40 EIAB CC[C@@H](NC(=O)CSc1ccc(OC)cc1)c1ccc(OC)cc1 20453223 XVQZJNVUEAIXDU-GOSISDBHSA-N 345.464 4.063 0 40 EIAB COc1ccc([C@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1 20632806 SVMYFLGYPKWPJM-MRXNPFEDSA-N 332.403 4.102 0 40 EIAB CN(C)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cn1 22395232 LWQLVLZBOMYDED-UHFFFAOYSA-N 345.402 4.228 0 40 EIAB CN(Cn1c(=O)oc2ccccc21)C(c1ccccc1)c1ccccc1 23053672 WFGFXMYHFRMREH-UHFFFAOYSA-N 344.414 4.273 0 40 EIAB O=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc2ccccc12 23144939 LNEQXBMQAFJUAB-UHFFFAOYSA-N 330.362 4.251 0 40 EIAB CCc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)sc1C 23383648 QESCDYZJLBRFIN-IBGZPJMESA-N 343.492 4.205 0 40 EIAB CC(C)C(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 24605429 JGLRYXYYZFEVLW-UHFFFAOYSA-N 331.799 4.292 0 40 EIAB COc1ccc(NC(=O)CCc2ccc(C)c(Cl)c2)c(OC)c1 27066977 NDOVXYYQZYBXHC-UHFFFAOYSA-N 333.815 4.237 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 27793182 JZXPLEVNMGNKFG-IBGZPJMESA-N 342.870 4.215 0 40 EIAB CC(=O)Nc1ccc(S[C@@H](C)c2nc(-c3ccco3)no2)cc1 29739058 BUMRTOAOIFAKQL-JTQLQIEISA-N 329.381 4.141 0 40 EIAB CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1noc2ccccc12 31088243 RGOSHSTVYDQTHO-UHFFFAOYSA-N 348.324 4.048 0 40 EIAB Cc1ccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 32609653 IWXRUYREEJMLOI-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 32610152 ASCSQQQDJSYTOK-VIFPVBQESA-N 338.190 4.213 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 36623137 MWSSJHFGCCHVBV-OAHLLOKOSA-N 341.451 4.076 0 40 EIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCC1=CCCCC1 39996385 XBBYBYKAASZQBP-UHFFFAOYSA-N 331.504 4.095 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4ccccc4n3)cs2)o1 40073749 AAPYVLCNAPRZHC-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB Cc1ccsc1CNC(=O)Nc1ccccc1Br 43132644 JKMHRUJXWFENBP-UHFFFAOYSA-N 325.231 4.141 0 40 EIAB O=C(CC[S@@](=O)Cc1cccc2ccccc12)Nc1ccccc1 58203497 HLQHSUXEFAKACW-DEOSSOPVSA-N 337.444 4.117 0 40 EIAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(C)s2)cc1 58232157 XVUNGRJQRXNHSY-CEFACKQISA-N 342.464 4.248 0 40 EIAB COc1c(F)cc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1F 64302554 AHYYPSOUDGZJMF-UHFFFAOYSA-N 347.361 4.092 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)COc1ccc(Br)cc1 69664584 OLNUABRMNNERSD-UHFFFAOYSA-N 342.277 4.159 0 40 EIAB COc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1SC(F)(F)F 72304871 BKZOBNBDPCOUOU-NSHDSACASA-N 349.418 4.306 0 40 EIAB COc1cccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)c1 72358323 YLQSTVUJFSGGQS-KRWDZBQOSA-N 337.467 4.274 0 40 EIAB Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)c2)o1 72906191 PNSDEEYSQQRVPW-KKXDTOCCSA-N 339.439 4.086 0 40 EIAB CCN(C(=O)NCc1ccc(OC(C)C)cc1)[C@@H](C)c1cccnc1 76016530 BUEQERKXBOERGC-INIZCTEOSA-N 341.455 4.162 0 40 EIAB C[C@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)c2ccccc21 84715155 JOHDWSKQKOQHQZ-HNNXBMFYSA-N 347.418 4.210 0 40 EIAB C[C@H]1C[C@H](NCc2ccc(N3CCCC3)nc2)c2ccsc2S1 95420068 FFVVSJDKMOMUOY-BBRMVZONSA-N 345.537 4.459 0 40 EIAB C[S@@](=O)c1cccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c1 96413414 NMSCTQDTHASPSK-GYCJOSAFSA-N 346.452 4.166 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 96659496 WRQVDUBSUJURKC-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB C[C@@H](C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1cccs1 97165432 SHJOXLLHZVOLMF-UZLBHIALSA-N 342.508 4.023 0 40 EIAB CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@H]2CC[C@H](C1)N2C 100340603 FETLJBXPGXXLIH-IAGOWNOFSA-N 332.875 4.333 0 40 EIAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102255478 WEMJXRNRNMHQQP-UHXUPSOCSA-N 342.266 4.313 0 40 EIAB Cc1ccc(-c2cc(CNc3cc(CO)ccc3Cl)on2)cc1 172897006 NPTORDXQUCANFY-UHFFFAOYSA-N 328.799 4.408 0 40 EIAB O=C(C[C@H]1CCCc2ccccc21)N1CCC(O)(c2ccccc2)CC1 185905056 NMHXEBFBGKIEOG-LJQANCHMSA-N 349.474 4.007 0 40 EIAB CB1Nc2c(ccc(Cl)c2C)B(C)N1c1cccc(Cl)c1C 195819801 OWMWHEICSXCXIO-UHFFFAOYSA-N 330.864 4.489 0 40 EIAB Cc1csc(C(=O)Nc2ccccc2Cc2nc(C3CC3)no2)c1 206669106 WPSWGVYQAACQDF-UHFFFAOYSA-N 339.420 4.160 0 40 EIAB Cc1ccc(CSCC(=O)NC(C)(C)Cc2ccccc2)cc1 223125593 BMEUFWSUGMYBPU-UHFFFAOYSA-N 327.493 4.366 0 40 EIAB COc1ccc(-c2nnsc2C(=O)OC2CCCCCCC2)cc1 223836432 IHHWOILNIALJGG-UHFFFAOYSA-N 346.452 4.483 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1OC 223946034 MULKFZJAANLVDP-LJQANCHMSA-N 339.435 4.370 0 40 EIAB CCc1ccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)cc1 225265098 ZYWUTWSEKXUGBB-CQSZACIVSA-N 344.480 4.012 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCC1 225392956 IHTDPOJOZGPMTI-SFHVURJKSA-N 335.513 4.253 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225641829 ILJFNRKRDASPPH-LBPRGKRZSA-N 336.407 4.027 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(CC)CCCC2)c1 225864339 RJLOHHVKEOAPMO-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB Cc1ccccc1-c1nc2ccc(N(C)C(=O)C(F)(F)F)cc2o1 226269925 NLWHKWITIUEGRM-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB CC(C)n1ncc2c(C(=O)O)c3c(nc21)/C(=C/c1ccccc1)CC3 248017200 SWBAXJJFSCQJOF-GXDHUFHOSA-N 333.391 4.197 0 40 EIAB Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 408595753 NIWBECKPAASWSH-UHFFFAOYSA-N 339.247 4.429 0 40 EIAB Cc1ccc(CSCCNC(=O)COc2ccc(C)c(C)c2)cc1 408706042 UBFZBHKWJFYQAE-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](c1csc2ccccc12)N(C)C 575621095 NMCNBGXNTDSPAO-SFHVURJKSA-N 338.476 4.242 0 40 EIAB OCC1([C@H](NCc2cnc(C3CC3)s2)c2ccccc2)CCC1 576845692 IZOXTUBJLSTYIH-QGZVFWFLSA-N 328.481 4.014 0 40 EIAB Cc1ccc(C(C)(C)CC(=O)N2CCC3(CCOCC3)CC2)cc1 585081259 TYSOODJNDKJQAS-UHFFFAOYSA-N 329.484 4.082 0 40 EIAB OCC1(NCc2cccc(Oc3ccccc3)c2)Cc2ccccc2C1 604768316 XYHGUWCSEWNYTG-UHFFFAOYSA-N 345.442 4.098 0 40 EIAB CC(C)c1c(NC(=O)NCC[C@H]2CC2(F)F)cnn1-c1ccccc1 621459535 HEWFGDLVKBALPZ-ZDUSSCGKSA-N 348.397 4.163 0 40 EIAB C[C@H](Cc1ccccc1)n1cccc1C(=O)N1Cc2ccc(O)cc2C1 1557563547 VYXZELMLFDZIRQ-MRXNPFEDSA-N 346.430 4.153 0 40 EIAB COc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 179158 WRKZPQSNGRUOSZ-UHFFFAOYSA-N 336.416 4.170 0 40 EIAB COc1cccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 182991 QDVXMGCFEJLXBT-UHFFFAOYSA-N 343.386 4.262 0 40 EIAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)OC2=O 351936 NTOYAIOKEQADKS-CVEARBPZSA-N 342.222 4.054 0 40 EIAB CCC(CC)C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 365480 ZSCVVTZKIGFVNI-UHFFFAOYSA-N 338.879 4.491 0 40 EIAB CCC(=O)c1cn(CC(=O)Nc2c(C)cccc2C)c2ccccc12 560812 BXYJJISQEJZDBG-UHFFFAOYSA-N 334.419 4.490 0 40 EIAB COc1cnc(SCc2c(Cl)cccc2Cl)nc1OC 1391937 XGHILUGXWFJQIN-UHFFFAOYSA-N 331.224 4.093 0 40 EIAB CCCCOc1ccccc1NC(=O)COc1cc(C)cc(C)c1 1777463 GLPZAHDGZUNTNV-UHFFFAOYSA-N 327.424 4.500 0 40 EIAB Cc1ccc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)o1 2664768 CEOJQWUIGUSJEP-MDZDMXLPSA-N 325.389 4.468 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 3274316 RCYFUSNDZSLJRH-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 4027600 FMNPCVNWRFPDCA-SXYSDOLCSA-N 328.452 4.483 0 40 EIAB CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccccc1 4277927 UDLRGSUSJWUYJY-UHFFFAOYSA-N 349.463 4.213 0 40 EIAB CCn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385011 MLRNTZWHEOVBGG-CYBMUJFWSA-N 339.826 4.230 0 40 EIAB CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c2ccccc21 4521061 MVYXCIBMLHFNML-SFQUDFHCSA-N 345.354 4.162 0 40 EIAB CCCNCc1cc(OCC)c(OCCC)cc1Br 4670841 QLFQFKRLZUGULR-UHFFFAOYSA-N 330.266 4.136 0 40 EIAB CSc1cccc2sc(NC(=O)CCOc3ccccc3)nc12 5299241 PNSXKPTWWSAUPX-UHFFFAOYSA-N 344.461 4.426 0 40 EIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1C 5373848 VPDDBOSAHNPPPL-UHFFFAOYSA-N 348.446 4.245 0 40 EIAB CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 5677583 CKUNPKXFBWMFQG-UHFFFAOYSA-N 336.416 4.194 0 40 EIAB CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12 6043308 MUXPFYUJJXUKJE-UHFFFAOYSA-N 334.419 4.440 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 6931946 KVDPCLPTKHATSA-BBWFWOEESA-N 346.902 4.123 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccccn3)ccc2c1 8025285 KBJNKRHRVKXZKK-CABCVRRESA-N 334.419 4.224 0 40 EIAB O=C(Cc1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 8617019 PLDFCWZNPNWKGF-JOCHJYFZSA-N 330.383 4.397 0 40 EIAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 8869589 IPLVHHQBVYOWHC-UHFFFAOYSA-N 337.379 4.086 0 40 EIAB CC(C)[C@H](NC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2[nH]1 12539958 UCIWAXVXOLXFOW-INIZCTEOSA-N 344.365 4.360 0 40 EIAB Cc1cc(OCc2cccc(Cl)c2)c(C)cc1CN1CCOCC1 12953934 CUIUEXNTAMQGBK-UHFFFAOYSA-N 345.870 4.368 0 40 EIAB CCn1c(Cc2ccccc2)nnc1SCc1ccccc1F 14091386 QNZMQLWSNDEQGZ-UHFFFAOYSA-N 327.428 4.320 0 40 EIAB Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1Cl 14182331 LBXYACHCHYETHH-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB CCCn1nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1=O 14199903 MHKSNLGJXFNWGG-UHFFFAOYSA-N 341.455 4.152 0 40 EIAB Cc1cccn2cc(COC(=O)c3cc4c(s3)CC[C@H](C)C4)nc12 14675999 NLWXVJFCZIMURE-LBPRGKRZSA-N 340.448 4.186 0 40 EIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2cscn2)cc1 15662398 ACDHCTMWDANQFP-DYVFJYSZSA-N 330.453 4.031 0 40 EIAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 17247805 HDCOCIKSJAHSSO-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1nc(-c2ccccc2)cs1 19179714 WCOKQSKOALUQCQ-UHFFFAOYSA-N 335.388 4.133 0 40 EIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccccc1)CO3 20559435 OWOBVZLZUUWYTC-UHFFFAOYSA-N 349.430 4.058 0 40 EIAB O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)s1)c1ccco1 23680603 YQPDNVZVPLMWAH-UHFFFAOYSA-N 346.795 4.499 0 40 EIAB CCc1ccc(CN(C(=O)c2ccc(OC)cc2)c2ccccn2)cc1 27664312 CRQBBPUKIZYQMX-UHFFFAOYSA-N 346.430 4.500 0 40 EIAB biogenic c1ccc(-c2nc(CSc3nncs3)nc3ccccc23)cc1 32754529 KWMABIHEKHOBNY-UHFFFAOYSA-N 336.445 4.441 0 40 EIAB CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(CSC)cc2)c1 32930642 UJEOTWLNOYWHLX-UHFFFAOYSA-N 342.464 4.459 0 40 EIAB COc1ccc(NC(=O)NCCCSc2ccccc2)c(OC)c1 43330533 NNYDQXAINXOFOV-UHFFFAOYSA-N 346.452 4.008 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)c1 48202043 QNJIHUJVFSHCRC-UHFFFAOYSA-N 347.418 4.457 0 40 EIAB Cc1cccc(N(C)C(=O)CCc2nc(-c3ccsc3)no2)c1C 55896898 SYXNJYBFMZUUNI-UHFFFAOYSA-N 341.436 4.011 0 40 EIAB Cc1cccnc1Nc1cncc([C@H]2CCCN(CC(C)(C)C)C2)n1 72354333 AZKPTBOXKZUMTL-INIZCTEOSA-N 339.487 4.149 0 40 EIAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccccc2F)C1 72406503 HRYHHOIGXMKDDA-ZDUSSCGKSA-N 327.384 4.256 0 40 EIAB COc1ccc(-n2c(C)nnc2SCc2cccc(C)c2)cc1 75333473 DYVDFJHISPIPQG-UHFFFAOYSA-N 325.437 4.185 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1csc2ccccc12 78602541 MEFFVKQQZQFGKK-NSHDSACASA-N 343.452 4.409 0 40 EIAB O=C(CN(CC1CCCC1)CC1CCCC1)Nc1cccc(F)c1 84372565 RVRHERGKUYTEOQ-UHFFFAOYSA-N 332.463 4.447 0 40 EIAB COc1ccc(F)cc1C[S@@](=O)[C@H](C)c1ncc(C(C)(C)C)o1 85224254 XGYKIVKLRMDUPD-BGJPBQGDSA-N 339.432 4.130 0 40 EIAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc(F)c(F)c1F 95479748 KGORDTKVDUTWRO-CQSZACIVSA-N 341.358 4.306 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)Nc2cc(OC)ccc2C)o1 95944900 ZGJMYZFMTIJVIJ-QGZVFWFLSA-N 344.411 4.112 0 40 EIAB Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 102166815 JVSNEQVFZFOPEO-QILLFSRXSA-N 332.440 4.156 0 40 EIAB CCN(C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 102395948 UXWBZOSDJIYNIY-DNVCBOLYSA-N 339.907 4.433 0 40 EIAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cc(Cl)ccc1Cl 216954581 DEGYWACHQUINIT-UHFFFAOYSA-N 347.201 4.044 0 40 EIAB Cc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 222756489 KVEAIRQTKFGVHG-SFHVURJKSA-N 339.435 4.101 0 40 EIAB C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2 223148773 DFMHATVECCHSFT-GFCCVEGCSA-N 344.252 4.429 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 224289773 ASURFSYUDFBKBN-MOPGFXCFSA-N 348.475 4.204 0 40 EIAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COC(C)C 224719061 VOPXWUNSITVCOX-UHFFFAOYSA-N 341.451 4.283 0 40 EIAB COc1ccccc1O[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225091345 JDBBTIBDIITLDD-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1ccnc(NC(=S)NCCCSCc2ccccc2C)c1 225602316 NTEFVDJLPFGUAD-UHFFFAOYSA-N 345.537 4.308 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCC1 226330604 CTAJFZGQWXAEGB-UHFFFAOYSA-N 329.831 4.083 0 40 EIAB CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 256052770 OPAQXUSZRRIFGJ-CQSZACIVSA-N 335.835 4.384 0 40 EIAB CCCC[C@@H](NCOCC1c2ccccc2-c2ccccc21)C(=O)O 390822547 CLUDJBVLJWAQJT-HXUWFJFHSA-N 339.435 4.006 0 40 EIAB O=C(CCSc1ccccc1)NCc1ccc(-c2ccoc2)nc1 390831467 SBGUYALZSBTICV-UHFFFAOYSA-N 338.432 4.140 0 40 EIAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccco1 408561322 HSRQLXBSEPEHIO-VXPUYCOJSA-N 340.448 4.496 0 40 EIAB CC(C)Oc1ccccc1C(=O)Nc1ncc(-c2cccnc2)s1 557392148 PSRWAOKWPXCNHS-UHFFFAOYSA-N 339.420 4.245 0 40 EIAB CC(C)(CC(=O)N1CCC[C@@H]1c1ncon1)Cc1ccc(Cl)cc1 580210708 AOPZKJLTGPTNSA-OAHLLOKOSA-N 347.846 4.046 0 40 EIAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccc2c(c1)CCC2 1556062403 HGBYXXFHUXBYSA-CQSZACIVSA-N 331.419 4.056 0 40 EIAB CCOC1(C)CCN(C(=O)c2ccc(-c3ccncc3C)s2)CC1 1615578499 VNAUGZDCOLHDEG-UHFFFAOYSA-N 344.480 4.150 0 40 EIAB Cc1cc(C)cc(NC(=O)N2CCC[C@@H](COc3ccncc3)C2)c1 1776007912 LUKFVBUXMZGNAA-QGZVFWFLSA-N 339.439 4.021 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 304388 RRIDJKWAKLWDFR-UHFFFAOYSA-N 327.808 4.205 0 40 EIAB Cc1cc(C)n(C(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)n1 385406 UGSPMPOQEFSGRV-UHFFFAOYSA-N 342.402 4.041 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2)c1 484514 KIKNTVBVZXCTBJ-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CC(C)CC(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 2136410 PASHDPXXUYBAGV-UHFFFAOYSA-N 328.437 4.338 0 40 EIAB O=C(c1ccc(I)cc1)c1cccc(Cl)c1 2392544 NSCIJVCHILXIHI-UHFFFAOYSA-N 342.563 4.176 0 40 EIAB C[P@](=O)(Nc1cccc(Cl)c1)c1nc2c(s1)CCCC2 3174754 MWIHCRHRCQPZEG-LJQANCHMSA-N 326.789 4.321 0 40 EIAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3318523 XLZGTEBSGXROMS-UHFFFAOYSA-N 344.219 4.159 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2O 3881356 QIOYEDVDPAWRGZ-RABCQHRBSA-N 332.484 4.053 0 40 EIAB biogenic COC(=O)c1ccc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 4185945 WQHIIKQXMWONFN-UHFFFAOYSA-N 347.842 4.282 0 40 EIAB Cc1cc(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1 4746934 JSODDDLJULOTPF-UHFFFAOYSA-N 332.831 4.040 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1 5345886 PMGVLKZFWNGLLL-UHFFFAOYSA-N 337.423 4.275 0 40 EIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccc(Cl)c1 5679417 NHKVVCDWYNGPPQ-UHFFFAOYSA-N 338.234 4.467 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 6790604 FRACGPCFAFALNS-UHFFFAOYSA-N 338.238 4.487 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C2CC2)o1 7289456 NLFFYBVTSCQGRI-SNVBAGLBSA-N 327.409 4.100 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N(C)Cc1cccc(F)c1 7338864 XFZQDZKIDVTXMR-LBPRGKRZSA-N 344.411 4.106 0 40 EIAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 7661587 XEJDEOOBDFEXDK-UHFFFAOYSA-N 342.386 4.228 0 40 EIAB CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cccs1 7846868 OOSBQWNQAQDPCG-UHFFFAOYSA-N 336.460 4.486 0 40 EIAB CCOc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1OCC 7952616 KOMWRRCISAGBMQ-UHFFFAOYSA-N 342.439 4.151 0 40 EIAB Cc1ccccc1-c1nnc(SCc2nc3ccccc3o2)n1C 8331487 LXDOFWSIZZFDJA-UHFFFAOYSA-N 336.420 4.224 0 40 EIAB COc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1 12062970 DXUUNOIMICRGRQ-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COc1ccc2c(c1)OCC(/C=C1/C(=O)Nc3cc(Cl)ccc31)=C2 12872068 NTMDMTGKWJNKQY-FRKPEAEDSA-N 339.778 4.160 0 40 EIAB O=C(NCC1CCCCC1)c1csc(COc2ccc(F)cc2)n1 12922326 HGAZWDCLCWZQCO-UHFFFAOYSA-N 348.443 4.171 0 40 EIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1C 13930893 YWWKVZMCSWHAHX-ZDUSSCGKSA-N 328.437 4.080 0 40 EIAB Cc1sc2ncnc(N[C@H](C)c3ccc4c(c3)OCO4)c2c1C 14317785 BVOPEIKOUGSCHP-SNVBAGLBSA-N 327.409 4.210 0 40 EIAB COc1ccc(Br)cc1C(=O)Nc1cc(C)ccc1C 14784328 MAHSBPQLLTUSTJ-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB FC(F)(F)c1cccc(CSc2nnc(-c3ccc[nH]3)o2)c1 18364276 NTWMHSREGLFNTN-UHFFFAOYSA-N 325.315 4.376 0 40 EIAB COc1ccc([C@@H](C)NCc2cnc(SCC(C)C)nc2)cc1F 19447377 RYNFEDHFTQZPRX-CYBMUJFWSA-N 349.475 4.223 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1 20025507 NUGBPKPYXWBAFD-OAHLLOKOSA-N 329.465 4.282 0 40 EIAB Cc1ccccc1[C@H](NC(=O)COc1ccccc1)c1ccccc1 20038321 FDDVCILQWKDFRV-JOCHJYFZSA-N 331.415 4.280 0 40 EIAB Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 27662753 QWZDJENVETUJRV-SFHVURJKSA-N 342.508 4.404 0 40 EIAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCn2c1nc1ccccc12 29376047 CSTRZYRPOCVCDL-UHFFFAOYSA-N 347.349 4.096 0 40 EIAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(SC2CCCC2)cc1 30510186 PVSGGLOWUVVGOD-UHFFFAOYSA-N 348.512 4.212 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)N1c2ccccc2C[C@@H]1C 31864723 UQWBATZJLURMIB-LBPRGKRZSA-N 335.432 4.105 0 40 EIAB Cc1csc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)n1 32914352 WEPLRYJRXYTSJX-UHFFFAOYSA-N 347.440 4.199 0 40 EIAB O=C(/C=C\c1ccccc1)n1ncnc1SC/C=C/c1ccccc1 33528896 LPQHVXIRHGZMRO-QSYVVUFSSA-N 347.443 4.437 0 40 EIAB CCOc1ccc(NCc2ccc(OC)c(Br)c2)cc1 35014453 PYHZXLFHGXDTMC-UHFFFAOYSA-N 336.229 4.469 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCSc2ccc(Cl)cc21 40071149 SMGGJOHVRXLWNR-UHFFFAOYSA-N 325.767 4.371 0 40 EIAB CCCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C 41095358 BBJDCDTVEBBBTM-PBHICJAKSA-N 339.501 4.031 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl 44903985 XXKKPHZDXZXDNY-INIZCTEOSA-N 338.234 4.467 0 40 EIAB O=C(c1cc(-c2ccccc2)no1)N1CCC(Nc2ccccc2)CC1 48292219 WBWBLHKNRHRGLA-UHFFFAOYSA-N 347.418 4.058 0 40 EIAB COc1ccccc1SCc1nc(-c2ccccc2OC)no1 58278669 APGCIYVRAKLKDH-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 60342458 ULUXZUZQPXBZCJ-OAHLLOKOSA-N 345.418 4.018 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccccc1C(C)(C)C 69844802 BHGCHMVFTBJBFN-LBPRGKRZSA-N 328.460 4.217 0 40 EIAB CC(=O)N(C)c1nc(CS[C@H]2CCCc3ccccc32)cs1 71892685 JODLEFPCBDSVOX-INIZCTEOSA-N 332.494 4.437 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@@H](C)CCC[C@H]3C)sc2n1 72295438 DDGCWOKATKYXEN-WDEREUQCSA-N 331.485 4.267 0 40 EIAB CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C)C1 72305258 CLZCHNXWRMROKB-CABCVRRESA-N 340.920 4.193 0 40 EIAB CCc1nc(C)c([C@H](C)N(C)Cc2ccccc2NC(C)=O)s1 93612625 MGJPCWCMOKPZBT-ZDUSSCGKSA-N 331.485 4.165 0 40 EIAB Cc1cccc(CCCOC(=O)c2cc3ccccc3c(Cl)n2)n1 95350023 PBUUGSGWWUFXNF-UHFFFAOYSA-N 340.810 4.381 0 40 EIAB CCn1nc(C)c([C@H](C)NCc2coc(-c3ccc(C)cc3)n2)c1C 95423536 RKWCDYMKMRAHQG-AWEZNQCLSA-N 338.455 4.334 0 40 EIAB C[C@@H]1C[C@@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 95458255 FMUJCOXACXOINZ-CVEARBPZSA-N 345.487 4.002 0 40 EIAB Cc1ccc(CN[C@H](C)c2cccs2)c(OC[C@@H]2CCOC2)c1 95969171 IQBBDRXDGINPRJ-HZPDHXFCSA-N 331.481 4.323 0 40 EIAB CCCCc1nc(C)sc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 96118606 HNJFOCWORWENEW-NSHDSACASA-N 342.468 4.161 0 40 EIAB CO[C@H]1CCCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 96122499 LKXRXDDVIQXSDN-SFHVURJKSA-N 343.402 4.085 0 40 EIAB COc1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 96137058 TUKIMRIYNIOIST-MDZDMXLPSA-N 331.437 4.033 0 40 EIAB COc1cccc2cc(C(=O)NCCc3ccc(Cl)cc3)oc12 97254582 GJJOGAPRTZGUEE-UHFFFAOYSA-N 329.783 4.067 0 40 EIAB O=C(COc1ccccc1Cl)NCCCc1ccccc1Cl 218847403 AHXWSNJAMLVZEJ-UHFFFAOYSA-N 338.234 4.121 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)NCc1ccc2ccccc2c1 222817497 XXHRFYFEHNRNIK-UHFFFAOYSA-N 345.442 4.414 0 40 EIAB COc1cc(C)c([C@H](C)NC(=O)COc2ccccc2)cc1C(C)C 223261549 VZMBEMGQQQCOPF-INIZCTEOSA-N 341.451 4.383 0 40 EIAB CC(C)(C)c1ccc(/C=C/C(=O)NCCc2ccc(F)cc2)cc1 223384035 DFXGMNLTTKMHCI-MDWZMJQESA-N 325.427 4.495 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223609366 URYQOTJAEKAWRD-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C 225244815 MJEZRDHLKBPNIR-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1 226358659 SRRQCTOTCFVNEZ-UHFFFAOYSA-N 332.831 4.237 0 40 EIAB Cc1cc(N)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 227144873 OPMWXJGATSJFSA-UHFFFAOYSA-N 332.403 4.409 0 40 EIAB Cc1cncc([C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1 257304416 SLNZWGHIRWLLOA-HNNXBMFYSA-N 337.448 4.020 0 40 EIAB CCOC(=O)N[C@H](CC(=O)Nc1c(C)cccc1C)c1ccccc1 408977437 DJBJIMFHFGJJOO-QGZVFWFLSA-N 340.423 4.119 0 40 EIAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](OCC2CC2)C1 575414530 WAQPDMXCOIHJAP-QGZVFWFLSA-N 327.449 4.056 0 40 EIAB O=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)O)c1 642146996 PERAFEWEKWPXRJ-UHFFFAOYSA-N 338.190 4.263 0 40 EIAB Oc1ccccc1OCCCC(F)(F)C(F)(F)Br 1083809827 PXQMSDOAIPAYCJ-UHFFFAOYSA-N 331.103 4.174 0 40 EIAB Cc1c(CN2CCC[C@@H](c3nccs3)C2)[nH]c2ccc(F)cc12 2037846466 ZXVKNYKNPVELFS-CYBMUJFWSA-N 329.444 4.452 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NCCc1ccc(-c2ccco2)s1 2086896620 DKTMLMNZQXCPDA-AWEZNQCLSA-N 341.432 4.134 0 40 EIAB CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2OCC)c1 364514 UCRNAVBIAPOEOO-UHFFFAOYSA-N 326.396 4.076 0 40 EIAB COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1Cl 569742 JCTPAOCCLYTEET-UHFFFAOYSA-N 330.815 4.201 0 40 EIAB Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 3009606 GQNOLTSWYIFUIY-UHFFFAOYSA-N 341.366 4.027 0 40 EIAB COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1Cl 3486730 XMXRTWPKPYBZTP-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB CCCSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 4086615 BTGIWXRHHLRUPE-UHFFFAOYSA-N 347.387 4.311 0 40 EIAB COc1ccc(OC)c(CNc2ncc(-c3ccc(C)cc3)n2C)c1 4678367 PIELEORYRYNABK-UHFFFAOYSA-N 337.423 4.025 0 40 EIAB COc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 5695677 BMZLXTMFWPTZPB-DHZHZOJOSA-N 338.432 4.042 0 40 EIAB O=C(COc1ccc2cc(Br)ccc2c1)c1ccc[nH]1 5744040 VBJAFTAEGNWUHK-UHFFFAOYSA-N 330.181 4.192 0 40 EIAB CCOC(=O)C(C)(C(=O)OCC)[C@@H](C)Cc1cccc2ccccc12 5828462 HNWSKEKQPZGPDB-HNNXBMFYSA-N 342.435 4.151 0 40 EIAB Cc1ccc([C@]2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(O)c1 6486910 OJORFUCIMFFMJE-OAQYLSRUSA-N 334.346 4.302 0 40 EIAB COc1ccc(CCN/C(C)=C/C(=O)Nc2ccc(Cl)cc2)cc1 6652261 NZZYPVAGPDYCQG-BUHFOSPRSA-N 344.842 4.023 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccccc2OC(F)F)N1C1CC1 7886011 UXUSIRZISBZEOA-MRXNPFEDSA-N 330.334 4.017 0 40 EIAB Cc1ccnc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 9421894 RRXZFJDMDWUGFX-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccs1 9547883 KIPKXFVQDIQMJV-ZDUSSCGKSA-N 337.448 4.302 0 40 EIAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(Cl)cc1F 11028282 LHZPIEYEDVCBRB-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB O=C(CNc1ccc(F)cc1)N[C@@H](c1ccccc1)c1cccs1 11116035 TZPYCJLWEHKOLW-IBGZPJMESA-N 340.423 4.205 0 40 EIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(F)cc1Br 11750333 FJHCAOJWESWYLA-UHFFFAOYSA-N 348.215 4.050 0 40 EIAB Cc1cccc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)c1 12139361 JFYJCOKHKDFJOG-UHFFFAOYSA-N 336.420 4.293 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)C2CC2)s1 12756610 UKWYKHBXVGPKCH-UHFFFAOYSA-N 348.855 4.022 0 40 EIAB Cc1oc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C 12872947 VGXOTSDHTPLHBY-UHFFFAOYSA-N 327.302 4.398 0 40 EIAB C=Cc1ccc(COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 12902385 CBAZWJFRLQEVNB-UHFFFAOYSA-N 346.430 4.345 0 40 EIAB biogenic O=C(Cc1csc(-c2ccsc2)n1)N1CCc2sccc2C1 13013020 MZZZEIKXMXDGFX-UHFFFAOYSA-N 346.502 4.061 0 40 EIAB Cc1ccccc1Cn1c([C@H](O)c2ccccc2)nc2ccccc21 13030692 YBOPNEMIHKPDIV-OAQYLSRUSA-N 328.415 4.475 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccccc1C(F)(F)F 13858133 NCQAYKNLDSYZMO-UHFFFAOYSA-N 346.308 4.317 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1 15139377 MBPUXWUBNYRNMS-UHFFFAOYSA-N 330.472 4.370 0 40 EIAB Cc1ccccc1CN(C)Cc1nnc(-c2ccccc2Cl)o1 15295242 KJNABTLXBWCAFQ-UHFFFAOYSA-N 327.815 4.330 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 20485393 NNMXPUDTRKOXQZ-MAUKXSAKSA-N 329.415 4.477 0 40 EIAB COc1cccc(-c2csc(CC(=O)Nc3ccccc3C)n2)c1 21224924 SQLLSSKFFWCHBM-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB CCCn1c(O)nnc1SC(c1ccccc1)c1ccccc1 21625431 VRCCJUPQKTZYSK-UHFFFAOYSA-N 325.437 4.275 0 40 EIAB CCOC(=O)c1ccc(NCc2ccc3cc(OC)ccc3c2)nc1 24055777 HIOLGXNLSDIJET-UHFFFAOYSA-N 336.391 4.032 0 40 EIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1 30848852 JEEUORNAOVBGTF-LJQANCHMSA-N 327.424 4.498 0 40 EIAB CCOC(=O)c1cc2cc3c(C)nn(-c4ccccc4)c3nc2s1 35316518 HZKKZYAERVTVAF-UHFFFAOYSA-N 337.404 4.120 0 40 EIAB COc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36357028 QYWFONFRXLAMPX-AWEZNQCLSA-N 343.452 4.266 0 40 EIAB O=C(Nc1cccnc1)c1csc(Nc2cccc(Cl)c2)n1 36704629 XJFXAVDJZUCVJI-UHFFFAOYSA-N 330.800 4.187 0 40 EIAB O=C(NCCSCc1ccccc1)Nc1ccc(F)c(F)c1F 40023963 KPKLPBPDWBEGOP-UHFFFAOYSA-N 340.370 4.159 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1cnn(-c2ccccc2)n1 40119893 HLPGJFBTNSAHHA-OAHLLOKOSA-N 332.407 4.207 0 40 EIAB OCCCCCSc1nnc(-c2ccco2)n1C1CCCCC1 58155581 ZPKUVELSGHQYJN-UHFFFAOYSA-N 335.473 4.298 0 40 EIAB COc1ccc(-c2cnc(C[S@](=O)Cc3ccc(C)cc3)o2)cc1 69813941 ZFADSPUWRQFQBN-DEOSSOPVSA-N 341.432 4.108 0 40 EIAB Cn1c([C@H](NCc2cccc(O)c2)c2ccccc2)nc2ccccc21 71792620 OHVYJPGVCLFGFB-OAQYLSRUSA-N 343.430 4.158 0 40 EIAB O=C(c1cc2ccccc2o1)N1CCCN(CC2CCCCC2)CC1 71820058 BTEFBNFJDKBVCL-UHFFFAOYSA-N 340.467 4.161 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1C 71882918 ZAKVQZRJHVDFES-NSHDSACASA-N 347.484 4.079 0 40 EIAB CC[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1 72040415 KOSPZXULBMLCBE-HNNXBMFYSA-N 346.843 4.265 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccsc1)c1nc(-c2cccnc2)cs1 75136706 QNJIKFSIIVXQKR-ZYOFXKKJSA-N 341.461 4.157 0 40 EIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c(C)noc1C 75572885 QJDRATJTPCMKMV-UYAOXDASSA-N 340.467 4.409 0 40 EIAB C[C@@H](c1ccccc1Cl)N(Cc1ccc2c(c1)nnn2C)C1CC1 79105558 GDNPILCRPMPEIE-ZDUSSCGKSA-N 340.858 4.347 0 40 EIAB O=C(C=C1CCCCC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 84372481 YKKXUDHDORHXLD-LJQANCHMSA-N 331.431 4.224 0 40 EIAB Cc1ccc(OC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 89635218 SYCGLSQWEYEQHN-UHFFFAOYSA-N 337.375 4.398 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)N(Cc1cccs1)C1CC1 95427124 MEZISBRAKKIEOF-OAHLLOKOSA-N 348.512 4.304 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 95946247 LGWYZZVJWZCNPJ-QGZVFWFLSA-N 343.515 4.324 0 40 EIAB Fc1cccc(CN2CCC3(CC2)CCN(Cc2ccco2)CC3)c1 96047228 ZSKMJJBITBUFOM-UHFFFAOYSA-N 342.458 4.297 0 40 EIAB Cc1nc([C@H](C)N2CCOC(C)(C)C2)oc1-c1ccc(Cl)cc1 97016226 XCEWHRYGUZKNOC-ZDUSSCGKSA-N 334.847 4.475 0 40 EIAB C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 97232253 MEXMGOULHZIGSJ-LLVKDONJSA-N 340.395 4.169 0 40 EIAB CCOc1cc(/C=C/C(=O)Nc2ccc3ncccc3c2)ccc1OC 105058960 FUURJGVOFGTTCG-YRNVUSSQSA-N 348.402 4.294 0 40 EIAB O=C([C@@H]1CSc2ccccc21)N(Cc1ccco1)c1ccccn1 172329929 ZEHPAXOFOMKVEV-MRXNPFEDSA-N 336.416 4.097 0 40 EIAB CC[C@@H](C(=O)N(Cc1cccs1)C1CCOCC1)c1ccccc1 206673812 LBIGZRHLAYGLDB-LJQANCHMSA-N 343.492 4.450 0 40 EIAB O=C(NCc1cncc(-c2ccsc2)c1)c1c(F)cccc1F 206946958 ZOALRRRSAIZHLB-UHFFFAOYSA-N 330.359 4.018 0 40 EIAB CCOc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584244 ZKMNCEOQANAPST-DOPJRALCSA-N 339.464 4.070 0 40 EIAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(OC)c(C)c1 223167817 BVBSWPDQXQYZIM-BNOPAZPUSA-N 339.435 4.293 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223494594 CDEXXVILFVRUDS-QGZVFWFLSA-N 331.481 4.268 0 40 EIAB Cc1ccccc1OCCNC(=O)CCc1ccc(C(C)C)cc1 224597061 YUBOANQHUGQXBH-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB Cc1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225788660 IBLRZPSUTJZQDZ-INIZCTEOSA-N 328.481 4.366 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1 227158401 YIWFEWHKLDHRLU-UHFFFAOYSA-N 332.831 4.237 0 40 EIAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccsc3)C2)n1 257248743 JEZQDUFVHKJUIA-OAHLLOKOSA-N 325.437 4.096 0 40 EIAB Cc1cnc(C2(C)CCN(C(=O)c3c(C(C)C)noc3C)CC2)s1 257301753 RZVFMRJMDICECH-UHFFFAOYSA-N 347.484 4.065 0 40 EIAB c1ccc(-n2ncc3c2CCN(c2nc4ccccc4s2)C3)cc1 613484179 QKGVKMMAPKEGOU-UHFFFAOYSA-N 332.432 4.045 0 40 EIAB O=C(NCC(c1ccco1)c1ccco1)Nc1ccccc1Cl 675007626 BGRNFNMHTZRONC-UHFFFAOYSA-N 330.771 4.480 0 40 EIAB O=C(Nc1ccc(-c2nncs2)cc1)c1cccc2c1CCCC2 1524787528 OSZURUFFIWWKGE-UHFFFAOYSA-N 335.432 4.336 0 40 EIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccco2)N1c1ccc(F)cc1 1615156767 KDWDPDHDQPOTRT-IRXDYDNUSA-N 342.414 4.081 0 40 EIAB Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O 251959 JGWBPZNKQZZEHZ-ZDUSSCGKSA-N 339.826 4.056 0 40 EIAB Clc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1 756758 XQMWNLUEDDKXHS-UHFFFAOYSA-N 347.809 4.163 0 40 EIAB CC[C@H]1CN2C(=N1)c1ccccc1-c1cc(Br)ccc12 1649167 PHVIJPZAGARXME-LBPRGKRZSA-N 327.225 4.475 0 40 EIAB CC[C@@H](COC(=O)c1ccc(N)cc1)NC(CC(C)C)CC(C)C 1842477 MQFAYMWEAATWGL-SFHVURJKSA-N 334.504 4.255 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)Nc1noc2ccccc12 2908108 YTZFMURMKJRCBH-UHFFFAOYSA-N 337.162 4.152 0 40 EIAB CCCCCCOC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 3090816 NBJXJBCQHLOCCC-LJQANCHMSA-N 339.435 4.281 0 40 EIAB biogenic O=c1[nH]c(CSc2ccccc2)nc2sc3c(c12)CCCC3 3220820 HVPAHPYXKYBHRX-UHFFFAOYSA-N 328.462 4.156 0 40 EIAB CC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)nc1C 4496560 LZGFZUUIKSHDFJ-UHFFFAOYSA-N 340.857 4.038 0 40 EIAB CC(C)C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 5218852 UKNQCZIYPBCZLB-KRWDZBQOSA-N 342.395 4.100 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 6153067 OYEHPXZONZIWSG-JTQLQIEISA-N 327.277 4.251 0 40 EIAB COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1 6973448 SIAUJXAAZKJHOJ-UHFFFAOYSA-N 345.377 4.268 0 40 EIAB CC[C@H](C)Cc1c(C)sc2nc(CN3CCC(C)CC3)[nH]c(=O)c12 7003671 GGNLXTIIRPWPNK-LBPRGKRZSA-N 347.528 4.114 0 40 EIAB O=C(Nc1cccc(Br)c1)c1ccc(Cl)cc1F 7755838 LZSOZFVMKUTILP-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)Cc2cccc3ccccc23)c1 7801405 RIAPZEHBLNICBY-UHFFFAOYSA-N 333.387 4.116 0 40 EIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1n[nH]c2ccccc12 7942907 RWOLGXURSQDZJZ-UHFFFAOYSA-N 339.704 4.487 0 40 EIAB O=C(Nc1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 8117935 IYCVRNYRUXOJAT-UHFFFAOYSA-N 342.196 4.092 0 40 EIAB CN(Cc1ccccc1N1CCCCC1)c1ncnc2sccc12 8165356 MXEIUVHGHFYFDP-UHFFFAOYSA-N 338.480 4.318 0 40 EIAB Fc1ccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)cc1 8583029 BUJSRZQEAAEQMB-UHFFFAOYSA-N 337.402 4.257 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCc1coc(-c2cccs2)n1 10873789 RZUFSLLAKOIUKP-UHFFFAOYSA-N 348.427 4.415 0 40 EIAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F 12798300 QWONURNYVFMSMX-JTQLQIEISA-N 327.277 4.215 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCCC2)cc1 12809872 IUPMUJYWPGJCSN-FXAWDEMLSA-N 337.467 4.342 0 40 EIAB CCC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 12971758 JQBBARGFUFZXOO-SFHVURJKSA-N 336.439 4.283 0 40 EIAB COc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1 13058323 PYNRDOHLFKJNIG-UHFFFAOYSA-N 346.858 4.036 0 40 EIAB Cc1cc(C)c(-c2c(O)c3cnn(-c4ccccc4)c3[nH]c2=O)c(C)c1 13111814 KYTHUVIHKIGLHQ-UHFFFAOYSA-N 345.402 4.012 0 40 EIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 13123933 BZMJNMGXGDKLCI-UHFFFAOYSA-N 335.388 4.193 0 40 EIAB aggregator Cc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 13494954 BOTHSKCAVDRFPG-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB O=C1C[C@H](c2ccc(O)cc2)c2sc(Nc3ccccc3)nc2N1 15109987 KJBZXDDERLSQMH-CQSZACIVSA-N 337.404 4.066 0 40 EIAB CCc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C)c3)c2)cc1 15883069 CZJDMMWMTKPNPQ-UHFFFAOYSA-N 346.430 4.020 0 40 EIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1OC 22512596 WMFVXFNOQLGGHM-LJQANCHMSA-N 349.430 4.322 0 40 EIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 23025382 WRVWGBUXSYCFAD-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)no1 23081060 XDVGKFLCOXBGIJ-HNNXBMFYSA-N 331.372 4.095 0 40 EIAB Cc1cccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126375 REBJEJGANQWPPT-UHFFFAOYSA-N 332.428 4.482 0 40 EIAB O=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2)c1 28240094 ZSMDQXAKKNNXLV-UHFFFAOYSA-N 339.826 4.156 0 40 EIAB CCc1cccc(OCC(=O)NCc2c(Cl)cccc2Cl)c1 28539762 JJRRUJOXNGRSEE-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB CC(C)(C)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 28904408 PQYBYRUZDWNDNY-UHFFFAOYSA-N 332.831 4.459 0 40 EIAB CSc1ccc(CN[C@H](c2ccccc2F)c2nccn2C)cc1 30645920 PUVZJQBILNLXQH-GOSISDBHSA-N 341.455 4.160 0 40 EIAB Cc1cccc(NC(=O)/C=C\c2c(C(F)(F)F)nn(C)c2Cl)c1 33376512 RWXMOHOTGKIBCM-SREVYHEPSA-N 343.736 4.053 0 40 EIAB CCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12 36618537 VPJUCAUSZOBQPH-UHFFFAOYSA-N 347.374 4.208 0 40 EIAB CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 40150749 UUBYGJNIQBUSJP-SFHVURJKSA-N 337.467 4.279 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 42959968 UXGCFCGUDFTRPG-CHWSQXEVSA-N 327.350 4.189 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1 44449150 NUVGNKSUOKDXAM-UHFFFAOYSA-N 328.437 4.212 0 40 EIAB CC(C)Sc1ccccc1C(=O)NCCOc1ccc(F)cc1 45935228 YHAAEYCIXDJZRH-UHFFFAOYSA-N 333.428 4.135 0 40 EIAB CCN(C(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1ccc(F)cc1 47388706 DCTYVCWGZTYGBE-CYBMUJFWSA-N 343.402 4.399 0 40 EIAB c1ccc2sc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 49168949 FTTOOMZQNBACIJ-AWEZNQCLSA-N 338.432 4.015 0 40 EIAB biogenic,in-vitro CCCCCN1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 53175180 BIRGEORNCXYGEL-UHFFFAOYSA-N 327.424 4.014 0 40 EIAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccn(C)n3)oc2c1 55135692 JXXQVRNXDCLBQU-UHFFFAOYSA-N 347.374 4.094 0 40 EIAB COc1cccc(SCC(=O)N[C@@H](C)c2ccc(SC)cc2)c1 58002962 UQINQAUFYULBTN-ZDUSSCGKSA-N 347.505 4.387 0 40 EIAB CN(CCOc1ccc(Cl)cc1)Cc1ccn(-c2ccccc2)n1 58133301 YVMXDJQDSPNROS-UHFFFAOYSA-N 341.842 4.037 0 40 EIAB Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c2[nH]ncc12 63713208 CDECAKKJKJNOBU-PWSUYJOCSA-N 325.334 4.179 0 40 EIAB Cc1ncsc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 64317617 YFSOBMKNLAYOLS-UHFFFAOYSA-N 329.252 4.423 0 40 EIAB CCOc1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 64893292 YQKSAJDTLNIBKU-UHFFFAOYSA-N 338.835 4.364 0 40 EIAB CCC(C)(C)NC(=O)c1sc(COc2ccc(C)cc2)nc1C 65403787 XIGATXCXLMQYEB-UHFFFAOYSA-N 332.469 4.257 0 40 EIAB Cc1ccc(C2(CNC(=O)CCC3CCCC3)CCOCC2)cc1 68168956 DNPQRRUGNHPFJS-UHFFFAOYSA-N 329.484 4.130 0 40 EIAB Cc1[nH]c2ccc(C(=O)NC[C@H](C3CCCCC3)N(C)C)cc2c1C 72272783 ZFJSZMVSWPRNGK-HXUWFJFHSA-N 341.499 4.025 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 84688936 UXIYNRSVBHINMZ-DOMZBBRYSA-N 341.407 4.482 0 40 EIAB Cc1nc(C(C)C)sc1C(=O)Nc1cc(F)c(N(C)C)c(F)c1 95361087 FOFHVYCZWBGJKR-UHFFFAOYSA-N 339.411 4.171 0 40 EIAB CC(C)C[C@@H]1SCC(O)=Nc2c1cnn2-c1nc2ccccc2[nH]1 95476464 UQRQYABHAPQKLL-AWEZNQCLSA-N 341.440 4.171 0 40 EIAB Cc1cc(C)cc(C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2C)c1 100577829 FJHHMJBLNFJIIM-KBXCAEBGSA-N 341.838 4.325 0 40 EIAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O 101275262 MJAHOXCGTPRYBH-CQSZACIVSA-N 349.217 4.046 0 40 EIAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102324684 KNWNEBVCQGFQPM-REJLFOLJSA-N 327.346 4.140 0 40 EIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 113969730 KGNODIHLDDJYSF-ZDUSSCGKSA-N 333.815 4.453 0 40 EIAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc4ccccn4c3)C2)cc1 206885066 RVTQIDNFOJAXND-GOSISDBHSA-N 348.446 4.358 0 40 EIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21)c1ccccc1 222054064 XGMRNXHSJXPZND-VURPSTOHSA-N 341.410 4.082 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222850739 RFSJGLUWJBIUAQ-INIZCTEOSA-N 345.870 4.473 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(F)cc1 223146753 PBOQIWPCWPKCFD-CABCVRRESA-N 341.426 4.349 0 40 EIAB CCOC(=O)c1cc(NC(=O)CCc2ccccc2F)ccc1Cl 223428953 CHBMOAFQTVRMFO-UHFFFAOYSA-N 349.789 4.227 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(COC)c1 224472399 CEPGMAAJDIUZGL-GOSISDBHSA-N 327.424 4.246 0 40 EIAB Cc1ccccc1NC(=S)NC1CCN(Cc2cccs2)CC1 225231361 DXIKEUNILFDULK-UHFFFAOYSA-N 345.537 4.008 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=S)NC2CCCCCC2)c1 225353581 KPAJDKSYBIZSGN-UHFFFAOYSA-N 340.876 4.136 0 40 EIAB COc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)cc1C 225369934 JMFZPERWODMIFJ-UHFFFAOYSA-N 338.234 4.169 0 40 EIAB COc1ccc(Cl)cc1Nc1ccc(N)cc1C(=O)OC(C)C 225482330 GRFSTQWLNXVMQH-UHFFFAOYSA-N 334.803 4.240 0 40 EIAB CC(C)Sc1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 225636051 UWSFKVYWRMIBPK-UHFFFAOYSA-N 333.482 4.170 0 40 EIAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)c(Cl)c1)C1CC1 225674894 SYEONLAFIUNATP-QGZVFWFLSA-N 325.836 4.273 0 40 EIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@@H]1[C@H]2C 229993300 ABFSDSQOZYJGJO-BOHLSTHVSA-N 347.455 4.320 0 40 EIAB biogenic Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)no1 331572692 QZJZVJXKVBHWHN-KBPBESRZSA-N 338.329 4.068 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1Cl)C3 140959 FUCBNFOQQLINSL-UHFFFAOYSA-N 327.767 4.111 0 40 EIAB biogenic CC(C)(C)C1CCC(OC[C@H](O)CN2CCc3ccccc3C2)CC1 351993 BTENAPPNXJUXRF-NYLDSWQDSA-N 345.527 4.027 0 40 EIAB CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc(N(C)C)cc12 1706377 CEDFPKBDFUAJEI-MRXNPFEDSA-N 328.504 4.223 0 40 EIAB Cc1ccccc1[C@H]1CC(=O)c2cn3c(nc2C1)nc1ccccc13 2438709 IPOLXRBNKKFARD-CQSZACIVSA-N 327.387 4.104 0 40 EIAB CCN(c1cccc2ccccc12)S(=O)(=O)c1ccccc1OC 2641859 UDEVAXOHPBAQCZ-UHFFFAOYSA-N 341.432 4.064 0 40 EIAB COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc(C)c1C 2708304 FOPUHIHBSHKKMP-UHFFFAOYSA-N 329.377 4.150 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)Nc2cccc(Br)c2)c1 3347850 QMXRSFWMKPBRIC-LBPRGKRZSA-N 333.229 4.197 0 40 EIAB COc1cccc(C(O)(c2ccc(C)cc2)c2cccc(OC)c2)c1 4255583 LBGIPODNTZVYFS-UHFFFAOYSA-N 334.415 4.296 0 40 EIAB COc1ccc(-c2nn(CNc3ccc(C)cc3)c(=S)o2)cc1 4548601 RJGMUTSKSQWRBR-UHFFFAOYSA-N 327.409 4.259 0 40 EIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C 4692058 LZCICCXBBYHFCF-MIBGNIKLSA-N 346.511 4.164 0 40 EIAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)C)cc1 5050515 IMAFUVUBJBHZIW-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB CCn1nc(NC(=O)c2ccccc2C)c2cc3ccc(C)cc3nc21 5219505 UOVHRKKMZQLKPC-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB COc1cc2c(cc1OC)/C(=C/c1ccc(SC)cc1)C(=O)OC2 5478485 HRDMOQYPWZFQBW-PXNMLYILSA-N 342.416 4.023 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 5598736 IMRLKXGVLFQKAG-UHFFFAOYSA-N 330.236 4.357 0 40 EIAB O=C(O)c1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 5899789 LHPCPBWJBFHEEL-LJQANCHMSA-N 344.370 4.156 0 40 EIAB Cc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(Cl)cc1)=N2 6281390 RDXLIJNCOXQARH-UHFFFAOYSA-N 346.821 4.477 0 40 EIAB CCN(CC)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 6325576 ULKYKYHDVIMFMW-UHFFFAOYSA-N 338.451 4.039 0 40 EIAB O=C(CSc1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 6646664 RUFUGEGDMINAME-UHFFFAOYSA-N 341.432 4.459 0 40 EIAB CCOc1ccc(CNc2nc3ccccc3n2CC)cc1OC 6752534 JXSGFUGKWURMQI-UHFFFAOYSA-N 325.412 4.076 0 40 EIAB Cc1nc(COc2ccccc2C(=O)Oc2ccccc2)cs1 7919247 XQVGDTBFZSJJKK-UHFFFAOYSA-N 325.389 4.250 0 40 EIAB COc1ccccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 8136260 FYWNRNGEIOXMJB-UHFFFAOYSA-N 325.452 4.242 0 40 EIAB C[C@H](NC(=O)NCc1cccnc1)c1ccc(-c2ccccc2)cc1 8780501 JHOWAGHKLRDBQZ-INIZCTEOSA-N 331.419 4.309 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 9725364 AIYCQUKMIDIJBG-VIFPVBQESA-N 340.757 4.066 0 40 EIAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12284620 ARDWJMAHNFRPJJ-MRXNPFEDSA-N 328.843 4.191 0 40 EIAB CCOC(=O)c1sc(Nc2ccccc2C)nc1C(F)(F)F 12394366 FPQOGJFFBGMJAN-UHFFFAOYSA-N 330.331 4.391 0 40 EIAB Cc1cccc(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 12746895 LZKRMGPGACOEBP-UHFFFAOYSA-N 348.450 4.461 0 40 EIAB CC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(C)cc1 12909459 SKIZQXBXFZWIBA-GOSISDBHSA-N 336.439 4.202 0 40 EIAB CC(C)C[C@@H](NC(=O)c1ccc[nH]c1=S)c1nc2ccccc2[nH]1 14084733 JNTNHQYJEMVADH-OAHLLOKOSA-N 340.452 4.138 0 40 EIAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc(C)c1Cl 14397501 NIJCVLBEVMZIRD-GFCCVEGCSA-N 347.798 4.092 0 40 EIAB O=C(Cc1ccc(Cl)cc1)NCc1csc(-c2ccccc2)n1 15832423 CUZBQANPUYIARS-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB CC(C)c1nccn1CC(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1 19454404 AFMBGTUPXKSBNI-GFCCVEGCSA-N 345.830 4.284 0 40 EIAB C[C@H](NC(=O)c1cc(F)ccc1F)c1ccc(Br)cc1 20029739 KHVNTEUXIOYXST-VIFPVBQESA-N 340.167 4.218 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(OC(C)C)cc1 20049115 GVAAHYUTKQGRQC-LJQANCHMSA-N 341.451 4.256 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cc1 20460614 SZXKBBMLJRYEIP-UHFFFAOYSA-N 336.479 4.253 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccc(N(C)C)cc3)n2)cc1 22065302 SFLUZDZBTYQMQV-UHFFFAOYSA-N 337.448 4.437 0 40 EIAB Cc1ccc(CCC2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1 25580546 IMUDCCDGNBOPJH-UHFFFAOYSA-N 338.451 4.345 0 40 EIAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccccc1F 27486653 ZUMZQJJAXSTYHM-CYBMUJFWSA-N 341.411 4.131 0 40 EIAB CCc1ccc(CN(C(=O)c2cccc(OC)c2)c2ccccn2)cc1 27664546 VQWAESRJRXNKKU-UHFFFAOYSA-N 346.430 4.500 0 40 EIAB biogenic C[C@]1(C(=O)Nc2cccnc2Oc2ccccc2)CC1(Cl)Cl 36837279 KSLVFWDGFKEYDW-OAHLLOKOSA-N 337.206 4.396 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2cccc(F)c2)oc2c1C(=O)CC(C)(C)C2 40141194 NIXLWWHMWRAWNN-LBPRGKRZSA-N 343.398 4.373 0 40 EIAB CC1CCN(C(=O)Cc2ccc(-c3nc4ccccc4o3)cc2)CC1 41127118 MTJPOKOVDZORDS-UHFFFAOYSA-N 334.419 4.296 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1cccs1 43494251 USFLUXUEMDHEGJ-AWEZNQCLSA-N 344.436 4.278 0 40 EIAB CCC(CC)c1nnc(NC(=O)N2CCC[C@H]2c2ccncc2)s1 44935719 VBCDUEKDGKOYGZ-AWEZNQCLSA-N 345.472 4.206 0 40 EIAB CCc1ccc(-c2noc(CN(C)Cc3ccccc3F)n2)cc1 58016123 UKTHNEYAAKFKIU-UHFFFAOYSA-N 325.387 4.070 0 40 EIAB O=C(NCc1cccc2cccnc12)N1CCC[C@H]1Cc1ccccc1 63323037 MDMCJZUSULPBRO-FQEVSTJZSA-N 345.446 4.152 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 71186282 QCFAAOIKUAOOKA-GXTWGEPZSA-N 347.846 4.142 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)cc1 72328918 NXSKIYMYLQYVAI-UHFFFAOYSA-N 333.435 4.439 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c(C)c1 72331376 FJIWLSUOHFRDLK-UHFFFAOYSA-N 346.833 4.058 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2csc3c2CC[C@@H](C)C3)on1 77212498 NZLHYZMJQMDSRO-IAQYHMDHSA-N 330.453 4.147 0 40 EIAB O=C(Nc1cnn(-c2ccccc2)c1)Nc1cccc2cccnc12 84576668 GNZOVVSXFJHPQN-UHFFFAOYSA-N 329.363 4.065 0 40 EIAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@@H]1CCOC1 89910142 XNPOEYJMVYDXPL-UONOGXRCSA-N 346.452 4.141 0 40 EIAB COc1cccc(-c2nnc(NCc3ccccc3Cl)o2)c1OC 95939390 CJJJCSYAZZBXFW-UHFFFAOYSA-N 345.786 4.019 0 40 EIAB CCc1nnc([C@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)o1 96014091 IHYNLKUXOTZSAR-NEPJUHHUSA-N 329.400 4.107 0 40 EIAB Cc1noc(C)c1C(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117128 JMYSTESQXHFKOP-CQSZACIVSA-N 343.814 4.234 0 40 EIAB CC1(C)C(=O)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]1C2 100768537 IAOSELDKXQRXRF-ABKXIKBNSA-N 326.223 4.327 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C2 102124129 DKOCNQRUUXRRBA-VBQJREDUSA-N 347.421 4.019 0 40 EIAB Cc1ccc(NC(=O)CCC(=O)[C@@H](C)C(=O)c2ccccc2)c(C)c1 104274261 CRNGFJBFERIWPV-MRXNPFEDSA-N 337.419 4.110 0 40 EIAB Cc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)c(C)c1 222823732 WXGBTLXPEANBIG-UHFFFAOYSA-N 349.883 4.244 0 40 EIAB COc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1C 223110135 TXPYPCZBLSMDRN-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB CCCc1ccc(OCCNC(=O)c2ccc(OCC)c(C)c2)cc1 225194747 ATGPVXVJMPBVLP-UHFFFAOYSA-N 341.451 4.155 0 40 EIAB CCc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2 225817538 HCLPSFLZUKKWDA-UHFFFAOYSA-N 335.447 4.249 0 40 EIAB CCCO[C@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 225858877 RPKQZTQCQSPVGK-FQEVSTJZSA-N 327.424 4.382 0 40 EIAB NC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 226322054 SYJBNENLJOZMHQ-UHFFFAOYSA-N 348.588 4.464 0 40 EIAB O=C1S/C(=C/c2ccc(N3CCCC3)o2)C(=O)N1c1ccccc1 408901267 CUKPTNBPDCRCPL-NTCAYCPXSA-N 340.404 4.121 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1F 575609543 DGWRHHPGECRVTN-AWEZNQCLSA-N 347.436 4.079 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575610148 KYDXRTQSTMPOIQ-LJQANCHMSA-N 337.444 4.187 0 40 EIAB COC(=O)c1cnc(OCc2ccccc2)c(OCc2ccccc2)c1 585656381 PSVCTQIHBPBAMT-UHFFFAOYSA-N 349.386 4.026 0 40 EIAB FC(F)COc1ccccc1CNCCc1ccc2[nH]ccc2c1 1650993295 ZOFONFQOCWKQSC-UHFFFAOYSA-N 330.378 4.144 0 40 EIAB COc1cc([C@@H]2NCCc3c2[nH]c2ccccc32)ccc1OC(C)C 99474 KQCQEDQQQAKBDX-FQEVSTJZSA-N 336.435 4.199 0 40 EIAB biogenic,in-vitro COC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 132270 WUGPPVYKUIZTDF-JTQLQIEISA-N 330.434 4.012 0 40 EIAB Cc1ccc(N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 251533 YSHRUGUQDTYBJX-LLVKDONJSA-N 337.678 4.266 0 40 EIAB CC(C)c1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCC2 521309 GBRWXBUGPWXJCJ-UHFFFAOYSA-N 338.480 4.452 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)oc2C)cc1 3319916 GWFJZCRKBCPZEQ-LBPRGKRZSA-N 329.396 4.205 0 40 EIAB COC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4029852 CEZKLEHYJURHTB-GLACIROUSA-N 349.515 4.115 0 40 EIAB biogenic Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 4140741 JJGHVQNGNRZIMN-KRWDZBQOSA-N 325.371 4.498 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4292928 DJPZSBANTAQNFN-SQDPYLFBSA-N 330.468 4.450 0 40 EIAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 4667012 MMIRJOKAHDIIIE-WFXMLNOXSA-N 339.479 4.071 0 40 EIAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854369 YOWKYMKXRCIRBH-KRWDZBQOSA-N 341.411 4.326 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C)cc2)cc1OCC 6309239 ITTUATBFSQZDTH-HNNXBMFYSA-N 327.424 4.283 0 40 EIAB O=Cc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 6610286 CNKBMWIBWGKBNC-UHFFFAOYSA-N 328.799 4.361 0 40 EIAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CC(=O)O)c1 7467078 SWDUKYLRTDJLRI-UHFFFAOYSA-N 338.407 4.132 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 8040929 OKPUYNLKZUUGCR-INIZCTEOSA-N 338.234 4.467 0 40 EIAB Cc1nc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cs1 8179741 KJNWYLWARCIXPR-XGICHPGQSA-N 339.203 4.103 0 40 EIAB Cc1[nH]c2cc(-c3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 8913825 STVLVURVTSUSQH-UHFFFAOYSA-N 349.821 4.242 0 40 EIAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)cc1 9196448 AQXVEUJEKRIGGT-UHFFFAOYSA-N 339.370 4.146 0 40 EIAB O=C(c1sccc1-c1ccccc1)N1CCN(c2ccccc2)CC1 9596616 QHMRKLVHZXRXTJ-UHFFFAOYSA-N 348.471 4.378 0 40 EIAB O=C(Nc1ccc(SCc2ccc(F)cc2)nn1)c1cccs1 11739348 JNHOHXMHKWIMBN-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB O=C(NCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 12235393 HPUIVYZEHVJKDW-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12 12533492 PCBLQPFVUHUDRW-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 12773368 PTBYQWLNBXUIQE-SJCJKPOMSA-N 348.368 4.310 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1nc2ccccc2o1 12989409 UVIBLFQYNCUJQT-MVGZEHJDSA-N 338.432 4.439 0 40 EIAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13672963 QMMOHIZLNGGURO-CQSZACIVSA-N 341.451 4.492 0 40 EIAB Cc1ccc(F)cc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1 15292196 OARAWPBWRGGKNZ-UHFFFAOYSA-N 342.292 4.083 0 40 EIAB COC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)nc(C)n2)c1 15859098 MBVTXXZQLVWWCX-UHFFFAOYSA-N 333.391 4.291 0 40 EIAB CCOc1ccc(CCNC(=O)c2ccc(C)cc2C)cc1OCC 16645301 XIRDXMCBEOZUEZ-UHFFFAOYSA-N 341.451 4.073 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 20105353 SRCCBBAPGBNSOG-CYBMUJFWSA-N 349.883 4.459 0 40 EIAB O=C(O)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 20160488 PHRMLDANQUYFEZ-ZZXKWVIFSA-N 327.561 4.460 0 40 EIAB O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCCC2=O)cc1 20456109 KCOYAZGKOGKOLS-UHFFFAOYSA-N 344.414 4.215 0 40 EIAB CN(C)CCNCC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 20503337 HUTUSNFVJUXFFH-IBGZPJMESA-N 330.903 4.208 0 40 EIAB CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 22527220 YYAMQBAVROSTGY-MRXNPFEDSA-N 341.835 4.050 0 40 EIAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCCC2 23954667 NJWBZAQJIRGULL-GFCCVEGCSA-N 329.827 4.415 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)C1 30946976 OGHVABDCWAWUFR-KRWDZBQOSA-N 334.463 4.121 0 40 EIAB O=C(Nc1ccc2ccccc2n1)c1cccc(OC[C@H]2CCCO2)c1 32903165 SZTWKHPXDXNOKE-GOSISDBHSA-N 348.402 4.045 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CS[C@@H](C)c1ccccc1 32909441 PDJZLTZEXSJHCN-GJZGRUSLSA-N 329.465 4.367 0 40 EIAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 34377847 MIGCSOVCZJZXIZ-UHFFFAOYSA-N 331.824 4.318 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccs2)c1 36359586 OOAKVWIGEGSOKS-ZDUSSCGKSA-N 325.393 4.066 0 40 EIAB Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 36738579 JAWOUFUALUIIHR-UHFFFAOYSA-N 349.272 4.186 0 40 EIAB O=C(NCc1ccccc1OC(F)F)C1(c2ccccc2)CCCC1 37136755 YNVNCWWUVKXLFS-UHFFFAOYSA-N 345.389 4.416 0 40 EIAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(F)c1 40121702 WWWLIVORFXEXIM-NHYWBVRUSA-N 328.815 4.196 0 40 EIAB CCCCc1nc(CN2C(=O)NC3(CCCCCCC3)C2=O)cs1 60802723 UHYIDADTGANQFI-UHFFFAOYSA-N 349.500 4.021 0 40 EIAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC)cc1 60870608 ANRBZGMVLHYJRO-UHFFFAOYSA-N 339.464 4.369 0 40 EIAB O=C(CSc1nncc2ccccc12)N(C1=CCCCC1)C1CC1 69564221 KMFBNGRIGJEZQJ-UHFFFAOYSA-N 339.464 4.171 0 40 EIAB O=C(C[C@@H]1OCCc2ccsc21)N1CCC[C@@H]1c1ccsc1 69564730 WBKFQBCPHUVFED-CABCVRRESA-N 333.478 4.177 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(OCc3ccccc3F)cc2)o1 71902638 LEZDWXALLCICGL-LBPRGKRZSA-N 327.359 4.269 0 40 EIAB CC[C@H](N[C@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 71910800 VVFFZJJRJPOFBX-KBPBESRZSA-N 338.860 4.060 0 40 EIAB Cc1cnc2[nH]c(C3CC3)c(CN(C)CC[C@@H](O)c3ccccc3)c2c1 72395251 WTDCBGOJLFAUBQ-HXUWFJFHSA-N 349.478 4.304 0 40 EIAB CSc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 75437330 JTVBOQFJGABSEK-UHFFFAOYSA-N 335.432 4.426 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)Cc1ccc(OCC(C)C)cc1 78609937 ZYKGWLOXQXIKPG-UHFFFAOYSA-N 343.471 4.297 0 40 EIAB C[C@H](NCc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 79000531 DKWCMJGEGLGWDF-QMMMGPOBSA-N 329.252 4.005 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1nccc2ccccc12 84598733 BLICKUGPOHIKNS-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB CCCOc1ccc(CONC(=O)C(C)(C)c2ccccc2)cc1 95454313 AOZMEDHRRFAFFF-UHFFFAOYSA-N 327.424 4.001 0 40 EIAB CC(=O)N(C)c1ccc(NCc2sccc2Br)cc1 195564551 KFEPDDBILNLYPX-UHFFFAOYSA-N 339.258 4.105 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(F)cc2)cc1 222892063 GKYDBHFSIKKCEA-HXUWFJFHSA-N 343.442 4.295 0 40 EIAB CCc1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 223372531 VQSMRLSXBFWYCM-UHFFFAOYSA-N 325.452 4.355 0 40 EIAB CCCCNC(=O)c1ccc(OCC)c(COc2ccccc2)c1 224358909 WNXUCPLWLICNGS-UHFFFAOYSA-N 327.424 4.194 0 40 EIAB CC(C)Oc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 225128639 OZYRGVPYGUJZJI-UHFFFAOYSA-N 339.435 4.370 0 40 EIAB CC1(C)COc2ccc(C(=O)NC3CCCCCCC3)cc2OC1 225362531 DKDARDYPWXZNJN-UHFFFAOYSA-N 331.456 4.327 0 40 EIAB CCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@H]1CCCCCCCC(=O)OC 263589751 QZAJJEFYEVWODE-FJIDUMEYSA-N 326.477 4.395 0 40 EIAB CSCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCC2 503068743 ZYZBMLGGIJQUEY-UHFFFAOYSA-N 345.489 4.078 0 40 EIAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(CC)nn2c1C 575602580 NREZITUODAMGQF-UHFFFAOYSA-N 343.814 4.097 0 40 EIAB CSCCC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 590529972 HLXIACAGHHBKBZ-UHFFFAOYSA-N 347.402 4.044 0 40 EIAB CCC1(CC)Cc2ccccc2-c2nc3n(c(=O)c21)CCCS3 267377 MAIUCFVBTHVEGD-UHFFFAOYSA-N 326.465 4.020 0 40 EIAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(F)cc4)cc3n2)cc1 298360 OAEBCSFXJXTBTL-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB O=S(=O)(c1ccc(Cl)nc1)N(c1ccccc1)c1ccccc1 347053 NZNZMXHMWDGJAE-UHFFFAOYSA-N 344.823 4.262 0 40 EIAB COc1ccc(-n2c(SC(F)F)nnc2-c2cccs2)cc1 352107 XLWSMGYPOYLMGO-UHFFFAOYSA-N 339.392 4.319 0 40 EIAB Cc1cc(C)n(-c2c(F)c(F)c(CN3CCCCC3)c(F)c2F)n1 519905 LDGPWKHEEFQZBY-UHFFFAOYSA-N 341.352 4.031 0 40 EIAB CSc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 565688 OMAVCDVBFOGLHH-OAHLLOKOSA-N 330.478 4.203 0 40 EIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCCC[C@H]1C(=O)O 1678240 LZSJASSXOILRIY-RBUKOAKNSA-N 335.403 4.087 0 40 EIAB O=C(c1ccc(CN2CCCC2)cc1)c1cccc(Br)c1 2514559 FQYIACAPGNKMJT-UHFFFAOYSA-N 344.252 4.276 0 40 EIAB CCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 2638715 LXIBDVBRCSFECV-UHFFFAOYSA-N 330.840 4.210 0 40 EIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1C[C@@H]1C 3237947 QCIJAURBVFWLQS-WCQYABFASA-N 329.421 4.186 0 40 EIAB COc1cccc(/C=C/C(=O)Oc2ccc3ccccc3c2)c1OC 3288793 OPFINQCAZCBFBA-ACCUITESSA-N 334.371 4.476 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1cccs1 3303794 QLWIUOWQVVKFDW-UHFFFAOYSA-N 337.828 4.320 0 40 EIAB Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2F)c(Cl)c1 3357628 ZXKFPKHAQWBNFN-UHFFFAOYSA-N 327.186 4.492 0 40 EIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 3382480 OMPZXUCQECKWPF-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB CCOc1ccc2oc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1 3444995 YZABJKQJXWLEOK-UHFFFAOYSA-N 339.347 4.121 0 40 EIAB Cc1cc(C)n2nc(SCc3ccc(C(F)(F)F)cc3)nc2n1 4089721 BGROENJRRJGNEO-UHFFFAOYSA-N 338.358 4.052 0 40 EIAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CC(C)(C)C)cc1 4585373 YKWMMQVGXMUSPZ-UHFFFAOYSA-N 349.434 4.069 0 40 EIAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 4815034 JKKNLEXRYRIDQC-RBUKOAKNSA-N 346.434 4.064 0 40 EIAB C[C@@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc12 5323452 NJNLXENWMKKLLB-OAHLLOKOSA-N 339.410 4.028 0 40 EIAB CCc1cccc(C)c1NC(=O)COc1cccc2ccc(C)nc12 5468703 DYQPELZFZHMDSL-UHFFFAOYSA-N 334.419 4.432 0 40 EIAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccco1 6344396 QDKMFWBFKNEYMS-UHFFFAOYSA-N 348.402 4.041 0 40 EIAB Cc1cc2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2cc1C 6811375 PBPJKNXKKPZZKP-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1[nH]c(Sc2ncnc3sccc23)nc1Cc1ccccc1 7327833 UTFMZSWSTYOQPO-UHFFFAOYSA-N 338.461 4.465 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)CCC2 8240994 MCEILQXYSSRTOE-UHFFFAOYSA-N 345.446 4.289 0 40 EIAB COc1cccc(Oc2ccc(NCc3ccc(C(=O)O)o3)cc2)c1 8702227 NETBRJBOSRVARQ-UHFFFAOYSA-N 339.347 4.391 0 40 EIAB Cc1ccc(C)c(-c2nn(Cc3cc(C)no3)c(=O)c3ccccc23)c1 9253819 MSSGYBTYGAEZPB-UHFFFAOYSA-N 345.402 4.025 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1ccc(SC(F)F)cc1 9363945 RDYXKFUMNHDBHT-UHFFFAOYSA-N 326.368 4.177 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cc(F)ccc3C)o2)cs1 9953203 OBZDIGOVEBOYIL-UHFFFAOYSA-N 330.384 4.089 0 40 EIAB Brc1ccc(CCNc2ncnc3sccc23)s1 10911924 NCGFXVWBIOBXGT-UHFFFAOYSA-N 340.271 4.170 0 40 EIAB CCCCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12 11614022 SLGLCPJZKXPEBG-UHFFFAOYSA-N 335.469 4.096 0 40 EIAB Cc1c(C)n(Cc2ccccn2)c2nc3c(c(N)c12)CCCCCC3 12322017 KNLSEQIOKDMUPH-UHFFFAOYSA-N 334.467 4.338 0 40 EIAB Cc1cc(C)c2c(-n3cccc3)c(-c3nnc(S)o3)sc2n1 12446550 TYFHSJIDDFTGEU-UHFFFAOYSA-N 328.422 4.043 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 12775457 DYDCRGKWSZNHLT-CLVCIHKQSA-N 331.419 4.105 0 40 EIAB CC(C)c1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 12784034 YEZCIHCVZLCHKJ-UHFFFAOYSA-N 330.240 4.150 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1Cl 14124355 FQPMSKKZJGXESD-UHFFFAOYSA-N 328.799 4.039 0 40 EIAB Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)oc2ccc(F)cc12 14171022 YTQAVVSRQQIMGK-UHFFFAOYSA-N 341.338 4.294 0 40 EIAB CCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1 14258102 CARJZRLHWPPXQE-UHFFFAOYSA-N 336.439 4.276 0 40 EIAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C)C4)ccc1O 15085167 AAUDZRQKQXRTFP-GWCFXTLKSA-N 343.448 4.061 0 40 EIAB CCCOc1ccc(/C=C/C(=O)NCc2ccccc2)cc1OCC 15344017 ARJUHIWWMGFOQS-ACCUITESSA-N 339.435 4.204 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1cnn(Cc2ccccc2)c1 15604472 DXBDWRONSOGKTM-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB CCc1ccc2c(c1)Sc1ccccc1C[C@H]2N1CCN(C)CC1 19802419 MATADNMOHBGGPF-LJQANCHMSA-N 338.520 4.245 0 40 EIAB O=C(CSc1ccccc1)Nc1ccc(-c2ccc(CO)o2)cc1 20151175 BLHYBEPHWIJWII-UHFFFAOYSA-N 339.416 4.170 0 40 EIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn(Cc2ccccc2)c1 20893954 IGVVTLOZJWXBRN-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1Nc1ccccc1 21292223 WEEMUWUOXDYXPF-UHFFFAOYSA-N 336.420 4.411 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC 22537970 KBFUGYVJFMGBME-HNNXBMFYSA-N 327.424 4.120 0 40 EIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22540345 PXMIEHHCPNXUCX-INIZCTEOSA-N 347.480 4.050 0 40 EIAB COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2F)cc1 27795707 FLBKWNCKMWBPHE-UHFFFAOYSA-N 325.339 4.274 0 40 EIAB Cc1ccc(-c2nnc3n2N[C@H](c2ccc(Cl)cc2)S3)cc1 28047829 PQNUQQRQLPDJJD-HNNXBMFYSA-N 328.828 4.255 0 40 EIAB Cc1cc([C@H](C)NC(=O)N[C@H]2CCOc3ccccc32)c(C)s1 28358548 ADTXQGSXOWUHLD-LRDDRELGSA-N 330.453 4.249 0 40 EIAB Cc1ccc2nc(NC(=O)c3cncn3-c3ccccc3)sc2c1 28818195 IIKDCHLPIKQKST-UHFFFAOYSA-N 334.404 4.043 0 40 EIAB c1cncc(COc2ccc(CN[C@H]3CCOc4ccccc43)cc2)c1 30545251 IGOYFWCTVJTUJA-NRFANRHFSA-N 346.430 4.274 0 40 EIAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 32796208 SKNOHLSJKZFDAZ-GOSISDBHSA-N 328.843 4.383 0 40 EIAB O=C(Nc1ncccc1O)c1cc2sc3ccccc3c2s1 32841705 HBCDLNSOQMZVBG-UHFFFAOYSA-N 326.402 4.469 0 40 EIAB CC(C)[C@@H](C(=O)Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 32901849 GJRJQZVVXQTQOX-MRXNPFEDSA-N 345.830 4.209 0 40 EIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(F)cc2F)n1 36748341 NBGGDJCQRAQDLP-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB COc1ccc(-c2nc(CN(C)[C@@H]3CCc4ccccc43)co2)cc1 40050671 YRMORPFGWBHIEC-HXUWFJFHSA-N 334.419 4.470 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3nc(C4CC4)cs3)on2)cc1 40088312 KDOMJEQJTVFBIT-UHFFFAOYSA-N 325.393 4.236 0 40 EIAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41096694 JDGUNOHVJSKUGW-QMMMGPOBSA-N 342.675 4.210 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccccc3Br)cc2c1 41306375 VNPFQPBMJWGSNH-UHFFFAOYSA-N 346.180 4.456 0 40 EIAB CCc1nnc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)s1 43344142 AUQOFEGMZSRGDL-CYBMUJFWSA-N 336.848 4.027 0 40 EIAB CCCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 45861003 WJNVULJZNCBJFP-UHFFFAOYSA-N 334.419 4.467 0 40 EIAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1Cl 47375361 QFWHTQNIYIQJQQ-UHFFFAOYSA-N 349.793 4.261 0 40 EIAB CN(C)c1cccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)c1 48291061 OVIXNYDNFUOVJA-FQEVSTJZSA-N 332.403 4.094 0 40 EIAB COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1 54202391 GRKVQPWSPUXGKV-UHFFFAOYSA-N 340.379 4.013 0 40 EIAB biogenic Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 57541697 GSTPRLPRMATUJM-KBPBESRZSA-N 331.460 4.099 0 40 EIAB CC(C)[C@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 57647966 GSMVYGFVLRZCNC-IBGZPJMESA-N 348.849 4.082 0 40 EIAB CCN(C(=O)C1CCC1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 65588409 BQRHLWNPQNIVSY-SFHVURJKSA-N 330.378 4.098 0 40 EIAB CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NCc1cccnc1 67889903 UONWJSPNVCCEMV-NQIIRXRSSA-N 347.462 4.484 0 40 EIAB biogenic,in-vitro Cc1nn(C)c(C)c1NC(=O)[C@@H](C)S[C@H]1CCCc2ccccc21 69896570 YHJVPRVWUBKUPG-PBHICJAKSA-N 343.496 4.175 0 40 EIAB CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nccs2)cc1 71879725 VHNVUBVNUPAOAF-OLZOCXBDSA-N 333.457 4.052 0 40 EIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2c[nH]c3ccccc23)s1 71883134 FCQMZLFBFBXSKF-GFCCVEGCSA-N 327.453 4.003 0 40 EIAB COc1cccc(-c2noc(N(C)Cc3ccc(SC)cc3)n2)c1 72301777 SQUDKSKRPGGDLX-UHFFFAOYSA-N 341.436 4.104 0 40 EIAB CCN(C(=O)N[C@H](C)c1cc(C)ccc1OC)[C@H](C)c1cccnc1 75613251 FRHAHMYEOZBSST-HZPDHXFCSA-N 341.455 4.252 0 40 EIAB COC[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 79101196 NSHFJLMUQVJGHC-SFHVURJKSA-N 338.451 4.168 0 40 EIAB C[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1 89909880 XXCINKABCYJGMA-AWEZNQCLSA-N 338.480 4.447 0 40 EIAB COc1ccc(C(=O)NCC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 100585398 VSQUKEYFHHDLQE-LDEVPTQISA-N 327.468 4.422 0 40 EIAB CC(C)n1ncc2ccc(NC(=O)N(Cc3ccccn3)C3CC3)cc21 194786742 AUTTZZOPQZVYPQ-UHFFFAOYSA-N 349.438 4.209 0 40 EIAB COc1ccc(SCC(=O)Nc2ccccc2SC)cc1OC 216265848 KOJXECQBCLRKIV-UHFFFAOYSA-N 349.477 4.157 0 40 EIAB CCc1ccc(CC(=O)NCCCc2cccc(OC(C)C)c2)cc1 222667393 XJICDLIBGRDGHP-UHFFFAOYSA-N 339.479 4.328 0 40 EIAB Cc1cccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1C 223898526 NSMZBFKJLMUCSQ-DHZHZOJOSA-N 329.827 4.165 0 40 EIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccccc1Cl 225604324 VVDUXHKDUATKFJ-LBPRGKRZSA-N 330.815 4.028 0 40 EIAB O=C(Cc1cccc(Br)c1)Nc1ccc(F)c(Cl)c1 225614555 HRDNAPZPGKCTDX-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 225639299 OFNROJLHYHAWRB-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB O=C(NC[C@H](O)c1csc2ccccc12)c1cc2ccccc2o1 225692272 YJNMUPQTNPAMMZ-HNNXBMFYSA-N 337.400 4.111 0 40 EIAB O=C(NCc1ccccc1Cl)c1cc2cc(Cl)ccc2oc1=O 226041154 BFXZXSFLJIFHFG-UHFFFAOYSA-N 348.185 4.030 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531689 YNAGVHDXBFFZOT-CLNAEZNXSA-N 337.548 4.232 0 40 EIAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257221738 DQHZLORQOYQKCV-BLVIHDEWSA-N 345.483 4.189 0 40 EIAB COc1cc(C)ccc1[C@H]1C[C@@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 257342457 ZORUYPCIWNPPHC-NQKWYQNWSA-N 345.483 4.165 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 408546854 GXMWDLJJTUUEAD-HNNXBMFYSA-N 344.414 4.444 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1 408706163 WNHJSCVITSKYFK-QGZVFWFLSA-N 331.437 4.213 0 40 EIAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)nc(C)n2C 409143376 NBEZPLNHIUXWTG-UHFFFAOYSA-N 336.439 4.326 0 40 EIAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1ncc(-c2ccc(Cl)cc2)o1 530179843 ODHVLQUCZTXYHS-DABQJJPHSA-N 348.830 4.069 0 40 EIAB COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H]2CC[C@H](O)CC2)cc1 557265931 JHRSBNTXFZNYMK-ZJOUEHCJSA-N 343.442 4.011 0 40 EIAB CCc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 107077 PVYYSTHASNPUKU-HNNXBMFYSA-N 334.394 4.487 0 40 EIAB O=C(Oc1csc(=S)n1C(=O)c1ccccc1)c1ccccc1 357920 XALUYDDXVNOHRQ-UHFFFAOYSA-N 341.413 4.187 0 40 EIAB CCOc1cc(CNc2ccc(C(=O)O)cc2)cc(Cl)c1OC 360208 YZNUUNXKCUJSHX-UHFFFAOYSA-N 335.787 4.058 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)N1CCC(C)CC1 413294 OVZBSLYPISYUDK-UHFFFAOYSA-N 328.481 4.148 0 40 EIAB Cc1ccc(-n2ncc3c(N(C)Cc4ccccc4)ncnc32)c(C)c1 426427 IQZZRRSMNMXSFP-UHFFFAOYSA-N 343.434 4.069 0 40 EIAB COc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 557622 MEBXHJWZEUYOHQ-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OC(F)F 557766 ZVSMZGGPEFVPFU-UHFFFAOYSA-N 341.741 4.267 0 40 EIAB CCCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21 3188715 ZRMUGVIQLQKBBD-UHFFFAOYSA-N 333.391 4.051 0 40 EIAB O=C1c2ccccc2-c2nn(C(=O)c3cccc(F)c3)c3cccc1c23 3206945 CVYBWNPCYYLLTF-UHFFFAOYSA-N 342.329 4.075 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCCC1 3211541 GCGQKWVEEUIHKE-RHSMWYFYSA-N 329.469 4.095 0 40 EIAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1Cl 3291662 DIZHHYODHRKTPJ-SNVBAGLBSA-N 344.238 4.444 0 40 EIAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 3366032 AZYYKSDYFABRFW-UHFFFAOYSA-N 333.343 4.460 0 40 EIAB CSc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 3373585 HZWXQBAEWQUTCI-UHFFFAOYSA-N 341.461 4.488 0 40 EIAB CCSc1nnc(NC(=O)c2cc3ccccc3cc2OC)s1 3517119 KYMYRAKJXRJGTK-UHFFFAOYSA-N 345.449 4.064 0 40 EIAB C[C@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 4411196 MUFKSDGEJXMZSW-IHPCNDPISA-N 327.468 4.154 0 40 EIAB Cc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)C(C)C 5248798 WELRNLADKYFIEZ-UHFFFAOYSA-N 334.419 4.026 0 40 EIAB COc1cc(Cl)ccc1S(=O)(=O)Oc1ccc2ccccc2c1 5610720 ULYURZAOHTXNLD-UHFFFAOYSA-N 348.807 4.270 0 40 EIAB Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 5731203 SJNKYBFZSVMFGR-UHFFFAOYSA-N 326.208 4.182 0 40 EIAB O=c1oc2ccccc2cc1C1=NO[C@@H](c2ccc(Cl)cc2)C1 5777112 KHUVZWSCKLVWMB-QGZVFWFLSA-N 325.751 4.312 0 40 EIAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccccc1F 5863518 LTHQLPXGJUEZIB-UHFFFAOYSA-N 342.347 4.493 0 40 EIAB CC[C@@H](C(=O)OCc1cc(=O)oc2cc(C)ccc12)c1ccccc1 6168567 MFMQHHUGAQQNGN-QGZVFWFLSA-N 336.387 4.338 0 40 EIAB COc1ccc2c(c1)OCC1=C2CC[C@@]2(C)C1=CCC[C@H]2OC(C)=O 6614722 UJKBARGHRQTONW-RTWAWAEBSA-N 340.419 4.293 0 40 EIAB Cc1cc(C)c2nc(SCC(=O)N[C@@H](C)C(C)C)cc(C)c2c1 6862458 MPYMHCFPEBXTPS-HNNXBMFYSA-N 330.497 4.413 0 40 EIAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2c(c1)CCC2 7403320 PAWNRQIVPOCFQY-UHFFFAOYSA-N 337.444 4.154 0 40 EIAB COc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 7526098 WLIVKEFFSHOFOQ-UHFFFAOYSA-N 340.492 4.347 0 40 EIAB CCCCn1nc(C)c(C(=O)N2CCCc3ccccc32)c1Cl 7779283 KMZSVGLJEBCISV-UHFFFAOYSA-N 331.847 4.238 0 40 EIAB Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(C)c1 7788358 HJZSBBSGAKCMCT-UHFFFAOYSA-N 326.415 4.046 0 40 EIAB Cc1cc(Br)ccc1NC(=O)Cc1c[nH]c2ccccc12 8285937 NSTDWCAKYOKMPX-UHFFFAOYSA-N 343.224 4.420 0 40 EIAB Cc1cccc(OCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 8291162 NZVXBPSNUKARPZ-CQSZACIVSA-N 340.448 4.203 0 40 EIAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 8433668 APXGSQLPLLBFDT-XPQLPGEHSA-N 337.375 4.093 0 40 EIAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccsc3)n2)c1 8745205 KZCSXYSTPLOUCS-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB COc1cccc(N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 9366775 XBJGTSPWOGPISB-HXUWFJFHSA-N 332.403 4.487 0 40 EIAB COc1ccc(NC(=O)CCc2ccc(C(C)C)cc2)c(OC)c1 10332862 MMXDPQIPLZQBCL-UHFFFAOYSA-N 327.424 4.399 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512182 ZRLOXIVZSLECGS-UHFFFAOYSA-N 345.445 4.225 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cccc2)cc1 12534379 LDUISDRYKSPVPN-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1F 12556161 HALQGXAEKBCCTG-UHFFFAOYSA-N 327.384 4.235 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12 12757580 DAVFYSXFGQDXCU-VIFPVBQESA-N 333.844 4.088 0 40 EIAB Cc1cccc([C@H](Nc2ccc(C)c(Cl)c2)P(=O)(O)O)c1 12950425 FRUOVBNOHOPBKA-OAHLLOKOSA-N 325.732 4.245 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 12984223 IJFWCVODJHHGNJ-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2 14115740 VJHXRKPMEOVZAH-UHFFFAOYSA-N 333.431 4.266 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1F 14244065 WDTZGLSLDUFCPV-QWRGUYRKSA-N 339.769 4.263 0 40 EIAB Clc1ccc(NC2=NN=C(c3ccc[nH]3)CS2)cc1Cl 15405553 PWSLNLCTJMYFEW-UHFFFAOYSA-N 325.224 4.241 0 40 EIAB Cc1ccc(C2=N/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)cc1 19418308 LWBUBMMXWKVQNF-PDGQHHTCSA-N 329.355 4.198 0 40 EIAB Cc1ccc(C)c2sc(NC(=O)c3cc(=O)[nH]c4ccccc34)nc12 23268626 CDYDVXRZERPRGG-UHFFFAOYSA-N 349.415 4.007 0 40 EIAB CCCCCCNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 25343298 IVBGDQVTJARHHZ-UHFFFAOYSA-N 329.440 4.039 0 40 EIAB CC(C)OCc1ccc(CNC(=O)CCCc2cccs2)cc1 40122251 CKWCXJJZIGMHNU-UHFFFAOYSA-N 331.481 4.312 0 40 EIAB Cc1c([C@@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)oc2ccccc12 46650267 FZWFSKOUZQJNBU-CZUORRHYSA-N 348.402 4.044 0 40 EIAB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(C)C1=O 47080696 CVRQJARAQGRXOW-GDNBJRDFSA-N 329.446 4.070 0 40 EIAB Cc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)nn1C(C)(C)C 55364642 LEGKBXSHVBWCRW-SFHVURJKSA-N 340.471 4.099 0 40 EIAB CC(C)[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 57452436 XBPBNVRLQHBGRH-PMACEKPBSA-N 340.442 4.132 0 40 EIAB Cc1cccc(C(=O)OCc2ccc(OCc3ccccn3)cc2)c1O 58004266 NFXAPVBNOXTZLV-UHFFFAOYSA-N 349.386 4.032 0 40 EIAB CN(C)CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1 63829510 KHOYUYUWZDGVTD-UHFFFAOYSA-N 342.508 4.225 0 40 EIAB Cc1nc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cs1 69653772 DXRSXXPMFUPUFM-SFHVURJKSA-N 339.464 4.229 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 69666391 VECFXHWEDCYRBQ-HOTGVXAUSA-N 331.847 4.476 0 40 EIAB C/C=C/C=C/C(=O)Nc1ccccc1NC(=O)Cc1cccs1 69738994 YKHZIYJYNNOLRK-TTWWKFCBSA-N 326.421 4.000 0 40 EIAB O=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1 75094178 IHYFPIFKLUIKDK-KRWDZBQOSA-N 348.805 4.209 0 40 EIAB O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCCC2)cc1 78269111 BXAZJHANMUVNCG-UHFFFAOYSA-N 337.448 4.144 0 40 EIAB CCc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80345064 WLMCEWHBFWKOAP-MNOVXSKESA-N 342.251 4.150 0 40 EIAB O=C(Nc1cccc(N2CCCC2)c1)N[C@@H]1CCCc2ccccc21 84581923 ZNGAWYSDZRQTGO-HXUWFJFHSA-N 335.451 4.486 0 40 EIAB C[C@H]1CN(C(=O)Nc2nc(C3CC3)cs2)C[C@@H](c2ccsc2)O1 89937008 JSXDLQLJINFWEM-HZMBPMFUSA-N 349.481 4.076 0 40 EIAB NC(=O)Nc1cccc2c1CCCN2Cc1ccccc1C(F)(F)F 95434268 VXBWKDHZNBGYFU-UHFFFAOYSA-N 349.356 4.149 0 40 EIAB C[C@@H]1C[C@H](C(=O)Nc2ccccc2CN(C)C2CCCCC2)CCO1 95988707 LXUSBTLCHVUBAI-IAGOWNOFSA-N 344.499 4.205 0 40 EIAB CCn1cc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)cn1 96183831 RBGGJMHIQJEOEQ-UHFFFAOYSA-N 331.759 4.194 0 40 EIAB COc1ccc2cc(NC(=O)c3sc(C)nc3C(C)C)cnc2c1 96231353 RHPNETMZNVGMSU-UHFFFAOYSA-N 341.436 4.384 0 40 EIAB O=C(Nc1cccc(OCc2cccnc2)c1)N1C[C@H]2CC=CC[C@H]2C1 96434139 XIUCZAZMABKOOI-HDICACEKSA-N 349.434 4.091 0 40 EIAB Nc1ccc(Cl)cc1-c1nc(C2C3CC4CC(C3)CC2C4)n[nH]1 97105497 XNJZYGHCYWTGOR-UHFFFAOYSA-N 328.847 4.247 0 40 EIAB CC(C)(C)OC(=O)N1CCc2[nH]c3c(C(F)(F)F)cccc3c2C1 97673601 SLXWTYZUBUTJED-UHFFFAOYSA-N 340.345 4.480 0 40 EIAB CCCCO[C@H](C)OCCC(F)(F)C(F)(F)Br 98210589 QMEXHUCZGDTTAM-QMMMGPOBSA-N 325.140 4.179 0 40 EIAB Cc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)c(Br)c1 158740925 JACJYLBZDQQGCC-UHFFFAOYSA-N 345.240 4.010 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(F)cccc1F 223249369 PHVFCKXXBXMLQE-GFCCVEGCSA-N 331.362 4.250 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCOc2ccc3ccccc3c2)c1 223620668 YJQPRWSRGRRUAC-UHFFFAOYSA-N 333.431 4.194 0 40 EIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224185332 RTEHXHAZVIMATQ-MOPGFXCFSA-N 348.475 4.080 0 40 EIAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225575760 RCOGIQRDBNAQPW-INIZCTEOSA-N 342.464 4.284 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2)cc1 225774049 VTMYOODOTYGCNK-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C(CSc1ccc(Cl)cc1)n1nnc2cc(Cl)ccc21 226359662 HSKNNEVKVMGLHX-UHFFFAOYSA-N 338.219 4.171 0 40 EIAB CSc1cccc(C(=O)NCc2ccnc(-c3cccs3)c2)c1 252522993 BPKUOBLMCGYCRL-UHFFFAOYSA-N 340.473 4.462 0 40 EIAB FC(F)(F)Cn1cnnc1SCc1cccc(Cl)c1Cl 278273884 YPNKDFQKIUQXKS-UHFFFAOYSA-N 342.173 4.440 0 40 EIAB Cc1cc([C@H](C)NC(=O)NCc2nc(C(C)(C)C)co2)c(C)s1 1119964506 IMIORIDVBCLILN-NSHDSACASA-N 335.473 4.211 0 40 EIAB O=C(C[C@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(F)cc1 31606 YOSTYLCSFOUGCX-HNNXBMFYSA-N 338.787 4.297 0 40 EIAB COc1ccccc1CC(=O)Nc1ccc(OCc2ccccc2)cc1 121843 KDDLEVHRDBZJFX-UHFFFAOYSA-N 347.414 4.455 0 40 EIAB CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 525489 KUKCACBWHWHYFT-HNNXBMFYSA-N 336.387 4.049 0 40 EIAB CCC(C)(C)NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342570 HESBMDIWASZUKF-UHFFFAOYSA-N 345.512 4.324 0 40 EIAB CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)cc1 1369647 OQWMVLGSTAKVIJ-RTBURBONSA-N 343.540 4.083 0 40 EIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(-c2ccccc2)cc1 2654493 CNYLHLSCKMKBRP-UHFFFAOYSA-N 345.398 4.306 0 40 EIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OC[C@H]2CCCO2)cc1 3387735 LBNWTVRQAGDILW-OAHLLOKOSA-N 349.789 4.289 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3432700 YYFMRFBUZOUODC-UHFFFAOYSA-N 337.206 4.133 0 40 EIAB Cc1ccccc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 4306965 NTLFFGQOXQQZTK-JOCHJYFZSA-N 344.414 4.115 0 40 EIAB Cc1ccc(CNC(=O)c2csc(Nc3ccccc3C)n2)cc1 4687931 MOAJUTVOWRCREB-UHFFFAOYSA-N 337.448 4.434 0 40 EIAB CC(C)CCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 5235812 MDIWMFCPGNMYBD-UHFFFAOYSA-N 339.439 4.038 0 40 EIAB CC1CCN(c2ncnc3c2oc2ccc(Br)cc23)CC1 5252958 ZFZRHICEIGZXBD-UHFFFAOYSA-N 346.228 4.375 0 40 EIAB COc1ccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 5321399 KKERYQUDXWIPKQ-UHFFFAOYSA-N 340.810 4.028 0 40 EIAB COC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCCC2 5511282 IFTRCQLLNYSGPP-UHFFFAOYSA-N 331.393 4.024 0 40 EIAB COc1ccccc1-n1c(-c2ccc3ccccc3n2)n[nH]c1=S 5570288 XTVXFJSDVFPFCY-UHFFFAOYSA-N 334.404 4.154 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)c2ccccc2n1 6969352 VVUMVTOTPVPDKM-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 7003186 JERMTFKCMPFKFV-OAHLLOKOSA-N 341.430 4.255 0 40 EIAB CCc1ccc(-c2noc(COC(=O)c3cc4ccccc4o3)n2)cc1 7087885 ZFDFVIHKZIINJV-UHFFFAOYSA-N 348.358 4.402 0 40 EIAB Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1 7468292 WBOGFPBNEZAKEE-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1cc2ccccc2o1 8070180 FRTMSCHHWFRYKM-NSHDSACASA-N 347.773 4.482 0 40 EIAB COc1ccccc1-c1noc(CSc2nc3ccccc3o2)n1 8131229 SYIXATJZJKJTBI-UHFFFAOYSA-N 339.376 4.179 0 40 EIAB C[C@@H](Sc1ncnc2ccccc12)C(=O)c1ccc(F)c(F)c1 8189468 CLRBXSVBFOHTDS-SNVBAGLBSA-N 330.359 4.272 0 40 EIAB Cc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1 8292084 GMFNXNUNTFTYBU-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB CC1(C)CC(NC(=O)c2cc(Cl)cc(Cl)c2)CC(C)(C)N1 10815141 KHYJYUKTJWZVGK-UHFFFAOYSA-N 329.271 4.032 0 40 EIAB CCc1nnc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)s1 11690423 YLSRNXJSWUBYSI-UHFFFAOYSA-N 341.436 4.240 0 40 EIAB C[C@H](C(=O)N1CCC(c2onc3c2CCCC3)CC1)c1ccccc1 12119798 ROJMMWBGCNBPKA-HNNXBMFYSA-N 338.451 4.063 0 40 EIAB c1cncc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)c1 12144361 GAABISWTHYLCFV-UHFFFAOYSA-N 345.431 4.274 0 40 EIAB CCCCCc1nc2ccccc2n1CC(=O)NCCc1ccccc1 12525090 SABWKVUPJVHQQD-UHFFFAOYSA-N 349.478 4.128 0 40 EIAB CC[C@H](NC(=O)COc1ccccc1)c1ccc(Br)cc1 12786075 HQVKSMFGDYZAKC-INIZCTEOSA-N 348.240 4.095 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12887798 KZWZZKAVSJJINW-INIZCTEOSA-N 345.446 4.194 0 40 EIAB O=C(COc1ccccc1F)N[C@H](c1ccc(Cl)cc1)C1CC1 12891521 FAVJIJAUSJVDKH-SFHVURJKSA-N 333.790 4.125 0 40 EIAB CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 16047218 YPYUVYAWFWKEDO-LJQANCHMSA-N 347.462 4.498 0 40 EIAB O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)s1 17168818 RFJRMOZMBLKCKY-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(Cl)cc1)C2=O 19324062 ZBQQIPKCOZHQCP-UHFFFAOYSA-N 346.902 4.126 0 40 EIAB Fc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 19349446 APNOQFWDBQNZFA-ZWKOTPCHSA-N 339.389 4.071 0 40 EIAB CCc1ncc(CN2CCCC[C@H]2CCc2ccc(OC)cc2)cn1 19523414 JEFFJOLBPXDYTG-IBGZPJMESA-N 339.483 4.035 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccccc1Cl 22237479 LPHPMLFXEWOYKY-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc2ccccc12 23039333 AIJDQHYJGIMSSE-UHFFFAOYSA-N 346.430 4.167 0 40 EIAB COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1OC 24593886 MCVLMZIKZCMMSL-UHFFFAOYSA-N 345.826 4.418 0 40 EIAB C[C@@H](O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 24763897 MPOPOTPQAPSIJU-LLVKDONJSA-N 344.461 4.106 0 40 EIAB CCOc1cccc(CNC(=O)CCSCc2ccccc2)c1 30866990 HHDBSTHTKJTXMW-UHFFFAOYSA-N 329.465 4.025 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cccs1)c1cccc(Br)c1 32796357 KRJSVNGHNQFKFP-WSKFYRRCSA-N 336.254 4.401 0 40 EIAB Nc1nc(SCCOc2ccc(Cl)cc2)nc2sccc12 32841105 IVVQTKKUUBNERA-UHFFFAOYSA-N 337.857 4.098 0 40 EIAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@H]1C 32901314 FAMMOKSCSXEDSV-CHWSQXEVSA-N 337.448 4.075 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccnc2Sc2ccccc2)C1 36714459 UTKSLGCZAKSYFA-GASCZTMLSA-N 326.465 4.351 0 40 EIAB COc1ccc([C@H]2CCCN2C[C@H](O)c2ccccc2Cl)cc1 40105794 ZTTLUDKOIBEDKQ-MOPGFXCFSA-N 331.843 4.219 0 40 EIAB CCOC(=O)CCCCCC(=O)c1ccccc1CN1CCCCC1 43211550 KFSNGQFBEFMZBQ-UHFFFAOYSA-N 345.483 4.369 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1 47583962 ROTRDVHNRFKDTD-UHFFFAOYSA-N 347.802 4.182 0 40 EIAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(F)cc1F 58167205 WMMJJBSXMVMLMG-UHFFFAOYSA-N 341.357 4.399 0 40 EIAB CCc1ccc([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 60831636 PVDNCRYXAUTKIA-CQSZACIVSA-N 329.440 4.126 0 40 EIAB COc1ccccc1NC(=O)c1cc(C(C)C)nn1-c1ccccc1 61718246 PTWFOUZDCMLCKY-UHFFFAOYSA-N 335.407 4.257 0 40 EIAB O=[S@](Cc1ccccc1)Cc1coc(-c2cccc(Cl)c2)n1 66300349 YIESFFULPVRLKY-QFIPXVFZSA-N 331.824 4.444 0 40 EIAB Cc1nccc(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)n1 69351298 HMJCYXMQCKQGSS-NSHDSACASA-N 349.356 4.170 0 40 EIAB CCc1nc(CCNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)sc1C 69743004 DGVJHYIWVKUJHO-VXGBXAGGSA-N 348.434 4.041 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(C)c1nc2c(F)cccc2s1 70973627 ZSNKDUPELDCUOJ-UHFFFAOYSA-N 343.427 4.127 0 40 EIAB Cc1cccc(N(CC(F)(F)F)C(=O)c2scnc2C)c1C 71911370 JVWQYQHSHSDXDV-UHFFFAOYSA-N 328.359 4.277 0 40 EIAB Fc1cccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)c1 72358157 DOEMVGYGELNQGG-OAQYLSRUSA-N 340.442 4.127 0 40 EIAB C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccn1 84661034 ZMRZSKWQCVBEBT-AWEZNQCLSA-N 335.432 4.119 0 40 EIAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3cc[nH]n3)cc2)n1 91695679 PYYJHUHBVGFBQS-UHFFFAOYSA-N 332.329 4.224 0 40 EIAB COc1ccc(C(=O)N2CCS[C@H](c3ccccc3)CC2)cc1F 208042585 FHMNWUCDBQPGSF-SFHVURJKSA-N 345.439 4.155 0 40 EIAB CCc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1OC 223683584 QAXQKXACYZWZIU-UHFFFAOYSA-N 347.480 4.490 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(COC)c1 224446254 SRSSUPITKRHSCU-KRWDZBQOSA-N 333.815 4.283 0 40 EIAB CCOc1cccc(NC(=S)NCCSC2CCCCC2)c1 225358281 JZZOUHCYOJRUAM-UHFFFAOYSA-N 338.542 4.438 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 225553736 YSRCAMGLUXLDGD-HZPDHXFCSA-N 341.451 4.463 0 40 EIAB COc1cccc(OC)c1CCC(=O)Nc1cccc2ccccc12 225994027 YHRISBGYKRLKQN-UHFFFAOYSA-N 335.403 4.428 0 40 EIAB COc1cc(CCNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1Cl 1564539313 WHWXWAVGJIWRRT-UMVBOHGHSA-N 338.879 4.015 0 40 EIAB Cc1ccc(-c2cc(C(=O)NC3(C(C)(C)c4ccccc4)CC3)n[nH]2)o1 1569022086 WGBFGQOTMSTQBL-UHFFFAOYSA-N 349.434 4.218 0 40 EIAB Cc1nc2c(s1)[C@H](N[C@@H](C)CCc1n[nH]c3ccccc13)CCC2 1657520236 OMYTVYGHGYVKJS-YVEFUNNKSA-N 340.496 4.316 0 40 EIAB CC(C)c1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1 140175 PJRZDXVUQFUQFH-UHFFFAOYSA-N 342.464 4.120 0 40 EIAB Cn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc12 507474 CGFJWUAKJJTMLO-UHFFFAOYSA-N 326.197 4.256 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1649321 KPMWGGRSOPMANK-BLLLJJGKSA-N 336.815 4.350 0 40 EIAB in-vitro O=C(NCCc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CC1 3328331 ACLYGXFUYGLVDQ-UHFFFAOYSA-N 333.353 4.096 0 40 EIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2F)cc1C 4120510 VMONKUJMWSVXKB-UHFFFAOYSA-N 342.439 4.188 0 40 EIAB COCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 4386208 HCZQOSBCEHENIY-UHFFFAOYSA-N 330.815 4.305 0 40 EIAB Cc1cc2c(=O)n(C)c(SCc3ccc(Cl)cc3)nc2s1 5017039 CEPRWMURDNJCDJ-UHFFFAOYSA-N 336.869 4.249 0 40 EIAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc2nccnc2c1 5420007 QOIGUUSISMVLSX-UHFFFAOYSA-N 347.399 4.110 0 40 EIAB Cc1ccc(N2C(=O)[C@@H](CN3CCCCC3)[C@H]2c2ccccc2)cc1 5738734 OMOXCNHOHLCAAM-LEWJYISDSA-N 334.463 4.185 0 40 EIAB Cc1cc(C)c(NC(=O)COC(=O)CCc2ccccc2)c(Cl)c1 6375209 UVONYTBVXJROCR-UHFFFAOYSA-N 345.826 4.071 0 40 EIAB CC(C)Oc1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 6624463 WFGYKJPBHDEMPA-NRFANRHFSA-N 340.467 4.475 0 40 EIAB biogenic O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2cccnc2)cs1 6830354 ZGRGJACHNDWJMI-UHFFFAOYSA-N 347.802 4.179 0 40 EIAB CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 7676178 CVWHEKAGFRXLMB-KRWDZBQOSA-N 339.464 4.265 0 40 EIAB CN(C)CCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 8373875 VFDPAMVGDFTIMX-UHFFFAOYSA-N 327.255 4.295 0 40 EIAB Cc1cccc(CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)c1 9155571 KIIXQYBSUPGJCF-CYBMUJFWSA-N 328.799 4.006 0 40 EIAB O=c1nc(SCCc2ccccc2)[nH]c2sc3c(c12)CCCC3 9170157 JAOVQGUOQCWMNP-UHFFFAOYSA-N 342.489 4.198 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(O)nc1 11512590 GUPVATKWLXNVAS-UHFFFAOYSA-N 340.766 4.485 0 40 EIAB COc1ccc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 12341075 IBLFARRVEAMKBY-UHFFFAOYSA-N 332.812 4.200 0 40 EIAB CCOc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc1 12989355 VXSBNFSISICIRR-CYBMUJFWSA-N 341.407 4.060 0 40 EIAB Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccccc1)C3 13086575 JQWYIACRMQOKNC-UHFFFAOYSA-N 332.447 4.289 0 40 EIAB Cc1cccc2cc3c(nc12)O[C@H](C)CN(CCc1ccccc1)C3 13563840 JVSBSXSTLCSGEL-QGZVFWFLSA-N 332.447 4.369 0 40 EIAB CC(C)c1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1 15299592 IVVYTQDZUGFWNA-HNNXBMFYSA-N 330.497 4.181 0 40 EIAB C[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccccc2Cl)no1 16381922 AAJNZQBYBSFGEM-GFCCVEGCSA-N 325.799 4.341 0 40 EIAB CCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 18702803 NYQKUQCTMPJKRA-UHFFFAOYSA-N 339.420 4.246 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 20042643 TXRUTKIOFTXQRT-PXNSSMCTSA-N 325.452 4.290 0 40 EIAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCn2cccc2[C@H]1C 21579512 LXOFWEJPRZKBLA-OAHLLOKOSA-N 340.858 4.212 0 40 EIAB CC(=O)c1cc(CCC(=O)OCc2nc3ccccc3s2)oc1C 25810484 DNHZDVGGSUXKMY-UHFFFAOYSA-N 343.404 4.076 0 40 EIAB NC(=O)c1cc(NCc2ccccc2C(F)(F)F)ccc1Cl 26785794 AHQRABRUTSOQCM-UHFFFAOYSA-N 328.721 4.070 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)n1 27970471 RISLZYZDPFRKOP-UHFFFAOYSA-N 345.446 4.289 0 40 EIAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1 27989118 JKDJVPSMYYNPPM-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB C[C@H](Oc1ccccc1)c1nnc(SCc2ccccc2)n1C 32604430 QWOSKDLEJGBUJI-AWEZNQCLSA-N 325.437 4.247 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CC1 32926787 FZZFUQCBTWZNAR-FQEVSTJZSA-N 333.435 4.250 0 40 EIAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(C)C)cc2)N1 35781007 PYFUFWIRRAVVMB-UXHICEINSA-N 348.446 4.068 0 40 EIAB biogenic Cc1ccccc1CC(=O)NCc1ccc(F)cc1C(F)(F)F 36391671 GSARMFUVXGIZSI-UHFFFAOYSA-N 325.305 4.012 0 40 EIAB Cc1cc(OC[C@H]2CCCNC2)c(Br)c(C)c1Cl 42774451 FFPJUSCTCRMBLA-NSHDSACASA-N 332.669 4.098 0 40 EIAB COc1ccc(CNC(=O)Nc2ccc(SC(F)F)cc2)cc1 43119328 GUWDSVQZICQFFD-UHFFFAOYSA-N 338.379 4.332 0 40 EIAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccccn1 48189231 UVVSYCHRICKAKL-SNVBAGLBSA-N 341.263 4.185 0 40 EIAB COc1ccccc1CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 65917955 VOWSQAJEZDLVJQ-UHFFFAOYSA-N 348.446 4.125 0 40 EIAB CSc1ccc(NC(=O)c2ccc(C(=O)N(C)C)cc2)cc1Cl 81105210 RJUIGZYAERVHGW-UHFFFAOYSA-N 348.855 4.016 0 40 EIAB O=C(c1ccccc1)C1CCN(c2ncncc2-c2ccccc2)CC1 89851268 BRDQDMAKARCZKS-UHFFFAOYSA-N 343.430 4.243 0 40 EIAB CCc1nc(C)c([C@@H](C)N(C)Cc2cc(OC)cc(OC)c2)s1 93612474 ZBQHOXUYBHSQPJ-CYBMUJFWSA-N 334.485 4.224 0 40 EIAB Cc1ccc(CN2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)o1 96046094 KIMRVDLXSURLNC-BMGDILEWSA-N 344.480 4.274 0 40 EIAB Clc1ccc(C2=C[C@H](c3ccco3)n3ncnc3N2)c(Cl)c1 101129592 VESASEZZFAZCGU-CYBMUJFWSA-N 333.178 4.234 0 40 EIAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 102373618 GWLLZGNRXPCJLR-INIZCTEOSA-N 342.826 4.009 0 40 EIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)C2 103422874 BIUVUWVCRZRZCI-NQYLQCIDSA-N 331.431 4.120 0 40 EIAB COc1ccccc1[S@](=O)Cc1coc(-c2cccc(Cl)c2)n1 108079087 KGPUOOOYYRWQPZ-QHCPKHFHSA-N 347.823 4.311 0 40 EIAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118917981 LDIFWCUQQYZOLG-UAVCVSPOSA-N 346.511 4.020 0 40 EIAB O=C(c1cc(C2CC2)on1)N1CCS[C@@H](c2ccccc2F)CC1 219114310 SDHIZOVEDJRSOC-QGZVFWFLSA-N 346.427 4.012 0 40 EIAB C[C@@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCC2 223243935 FCHCTRUSAOPDGI-CQSZACIVSA-N 343.467 4.425 0 40 EIAB Cc1ccnc(NC(=S)NCC2(c3ccccc3)CCCC2)c1 223971770 LCWZNBYPACMXOW-UHFFFAOYSA-N 325.481 4.188 0 40 EIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1C 225908242 OQFIGOXFJBYDOF-IBGZPJMESA-N 336.476 4.493 0 40 EIAB Cc1noc(C2CC2)c1NC(=O)N1CCc2cccc(F)c2[C@@H]1C 545223861 HWYSCDNHWMZNST-NSHDSACASA-N 329.375 4.151 0 40 EIAB COc1ccc(-c2cc(C)nc([C@@H]3CCN(C(=O)C(C)C)C3)c2)cc1 2037834403 BDSSCFNMADMZBI-QGZVFWFLSA-N 338.451 4.038 0 40 EIAB Fc1ccc(-c2nc3ccc(Cl)cn3c2NC[C@@H]2CCCO2)cc1 412144 PCYCSBYJLJGEJY-HNNXBMFYSA-N 345.805 4.385 0 40 EIAB Cc1ccc(SC[C@H]2CSc3nc4ccccc4c(=O)n32)cc1 1392667 BDKBHDYQAIPWGI-ZDUSSCGKSA-N 340.473 4.144 0 40 EIAB Cc1cccc2c1N(Cc1ccc(OCCC(C)C)cc1)C(=O)C2=O 2706863 PVOORRGXKXNVKC-UHFFFAOYSA-N 337.419 4.149 0 40 EIAB COc1cccc([C@H](C)NC(=O)c2csc3c2CC[C@H](C)C3)c1 2730437 IJLMIQZTLLFXAO-STQMWFEESA-N 329.465 4.373 0 40 EIAB O=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S1 2932077 GTMDLXPVEQZQLA-OQLLNIDSSA-N 345.807 4.243 0 40 EIAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3231659 POAUEUJCPNEGQH-UHFFFAOYSA-N 339.435 4.342 0 40 EIAB Cc1cccc(C)c1OC[C@@H](O)CN(CCC(C)C)CCC(C)C 3396616 PPIXNWJVCLYFLK-FQEVSTJZSA-N 335.532 4.437 0 40 EIAB CCN(CC)C[C@H](Cc1ccccc1)OC(=O)Nc1ccccc1 3636417 MVKHEBBJKCVXCG-IBGZPJMESA-N 326.440 4.188 0 40 EIAB COc1cc(CNCc2cccnc2)ccc1OCc1ccc(C)cc1 4413475 JISKQTQNMCQXNR-UHFFFAOYSA-N 348.446 4.267 0 40 EIAB Cc1ccc([C@@]2(CC(=O)N3CCCC3)CCO[C@@H](C(C)C)C2)cc1 5024868 YAWLRKLUJJGWHP-CTNGQTDRSA-N 329.484 4.080 0 40 EIAB COCCn1cc(NC(=O)N[C@@H](C)c2ccccc2)c2ccccc21 5266404 VBGDIYOUEUVSON-HNNXBMFYSA-N 337.423 4.170 0 40 EIAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3F)ccc21 5374066 STIXDPWGXNJYLJ-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB COc1ccccc1CNC(=O)[C@H](c1ccc(Cl)cc1)C(C)C 6288739 BJYNPZGEVJQZME-SFHVURJKSA-N 331.843 4.405 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1ccc(F)c(F)c1 6654279 CIJVQGGMVUQFNV-JTQLQIEISA-N 346.358 4.378 0 40 EIAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 6767592 UWSNXFCRYSBJLT-UHFFFAOYSA-N 343.770 4.041 0 40 EIAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)/C=C/c1ccccc1 7057627 KCVZJBIPRSJAKQ-OUKQBFOZSA-N 345.464 4.405 0 40 EIAB COC(=O)c1c(C)[nH]c(-c2nc(NCCC(C)C)sc2C)c1C 7777534 MSVNMPDBNXWWQE-UHFFFAOYSA-N 335.473 4.308 0 40 EIAB CCCc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)s1 7987595 NTVMEZHGINHQRO-UHFFFAOYSA-N 335.860 4.204 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 8328012 WMWYZMLROOAAOI-MRXNPFEDSA-N 337.444 4.393 0 40 EIAB Cc1ccc(CNC(=O)Cc2csc(-c3ccsc3)n2)cc1 8330621 LNVUAVUGJPOXQS-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB COc1ccc(-c2nnc(CN3CC=C(c4ccccc4)CC3)o2)cc1 8718823 OKNNGLOAHCHHCW-UHFFFAOYSA-N 347.418 4.035 0 40 EIAB O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccccn2)cs1 9658246 HXAHBPNGQJYNHY-UHFFFAOYSA-N 348.431 4.189 0 40 EIAB CCOc1ccccc1-c1noc(CN2c3ccccc3CC[C@@H]2C)n1 9682351 RSHDSIRUJOCWJX-HNNXBMFYSA-N 349.434 4.477 0 40 EIAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 10543927 DOQOBHUKQOBVEK-MRXNPFEDSA-N 339.460 4.496 0 40 EIAB CCc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 10903536 ZXHPQXDGVXJXLB-UHFFFAOYSA-N 347.462 4.041 0 40 EIAB CC(=O)Nc1ccc(NCc2ccccc2F)c(C(F)(F)F)c1 12540066 XQFAZIHJTZMBCE-UHFFFAOYSA-N 326.293 4.415 0 40 EIAB O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCc2ccccc21 12764069 QIPNUDQQHOXSKH-HNNXBMFYSA-N 336.218 4.176 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2)c1 12780950 SUKMQSIAWGZFEQ-YFPIXMDGSA-N 337.419 4.081 0 40 EIAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CCCC1 12917061 WREHBJZXPFGCOY-UHFFFAOYSA-N 331.485 4.135 0 40 EIAB Cc1ccccc1C(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 13495062 VEIHNQVKZKYMAQ-UHFFFAOYSA-N 349.434 4.273 0 40 EIAB Cc1ccc(-c2nnc([C@@H](C)SC(=S)N3CCCC3)o2)cc1 17665446 UMUFJQQJGVLHOH-GFCCVEGCSA-N 333.482 4.220 0 40 EIAB C[C@@H](Sc1ccccc1Cl)C(=O)NC(=O)Nc1ccccc1 22066766 VPVQEDIBKOAHCE-LLVKDONJSA-N 334.828 4.169 0 40 EIAB O=C(/C=C/c1nc2ccccc2o1)OCC(=O)c1cc2ccccc2o1 22230441 PSYOLZRLQQBAMX-MDZDMXLPSA-N 347.326 4.013 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1Cl 22603479 FUKXMHMSDHJOEU-GJZGRUSLSA-N 346.789 4.180 0 40 EIAB CN(C)[C@H](CNc1ncnc2c1oc1ccccc12)c1cccs1 23744770 GFDFSWYJZGJEID-CYBMUJFWSA-N 338.436 4.152 0 40 EIAB COc1ccc(CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1F 23796847 GBLQEJXFOWJKAK-GFCCVEGCSA-N 347.455 4.293 0 40 EIAB COc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1 30758892 OMLQOTWYNONDMO-CYBMUJFWSA-N 349.883 4.459 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1cc(-c2cccc(F)c2)no1 32922879 CVBXMYZWDPEVHM-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB CSc1nc(C)c(CC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)s1 37171287 QZXPBCCTDKQXRR-STQMWFEESA-N 340.558 4.437 0 40 EIAB C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1 41127116 MSUYONRLPUDOTM-HNNXBMFYSA-N 334.419 4.438 0 40 EIAB O=S(=O)(CCCSc1nc2ccccc2s1)c1ccccc1 48186790 ZJEGUUSDFXPCGT-UHFFFAOYSA-N 349.502 4.252 0 40 EIAB O=C(C[C@H]1CCCO1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 57084640 CHXQQUMSOCLKAS-NVXWUHKLSA-N 335.856 4.176 0 40 EIAB O=C(CSCc1ccccc1Cl)NCCc1ccc(F)cc1 57683961 KKYXVSDKUURDPG-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB CCCNC(=S)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 60544714 DOIDUAAPRGFMDY-JAGHRAMZSA-N 336.504 4.158 0 40 EIAB O=C(Nc1cccc(-c2ncc[nH]2)c1)c1sccc1Br 69950860 BCUQJBGZKSQPMX-UHFFFAOYSA-N 348.225 4.153 0 40 EIAB COCCn1ccc2c(NC(=O)c3ccc4ccn(C)c4c3)cccc21 70666659 CLDAMWXZUYPJNF-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic COc1cccc(NCc2cn(C)nc2-c2cc3ccccc3o2)c1 72032385 OAJJKVVKLAPVAD-UHFFFAOYSA-N 333.391 4.454 0 40 EIAB Cc1cccc2nc(-c3ccc(I)cc3)oc12 73639038 RPECMQVSANUREC-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB CC(C)COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cn1 79049876 KJGTXWIWHNUKGJ-QFBILLFUSA-N 338.451 4.135 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 79320672 HUKIDKDCCLNDOL-SJCJKPOMSA-N 345.874 4.158 0 40 EIAB C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 86339912 JIQBDEAMHAEEMV-XJKSGUPXSA-N 326.396 4.038 0 40 EIAB Cc1c([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)oc2ccccc12 95420605 YZNYARXSLRGDRB-OAHLLOKOSA-N 346.434 4.481 0 40 EIAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccccn1)n2C 96146401 YCROAWZYFCUWRD-UHFFFAOYSA-N 346.434 4.039 0 40 EIAB C[C@@H](NCCc1ccc(O)cc1)c1cc(Br)ccc1F 97016622 NKQUROFCSGKVJK-LLVKDONJSA-N 338.220 4.187 0 40 EIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)OC2=O 100260694 XHDCTUOJVOKGGP-HZPDHXFCSA-N 342.222 4.054 0 40 EIAB Cc1nc(CCC(=O)Nc2ccc3c[nH]nc3c2)oc1-c1ccccc1 106736708 OSGTZKVZYDPAHM-UHFFFAOYSA-N 346.390 4.098 0 40 EIAB O=C(CC1CCCC1)NCc1ccc([C@H](O)c2ccccc2)s1 207968846 PAZIGGZCJSTRDV-LJQANCHMSA-N 329.465 4.026 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2ccccc2Cl)c1 218846051 ALDTVHKFRHEPTN-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB CSc1nnc(NC(=O)c2ccccc2SC(C)C)s1 223120001 UEMIUXUXIXUMGJ-UHFFFAOYSA-N 325.484 4.013 0 40 EIAB Cc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1C 223142083 NJVFRSQSDFSGEX-UHFFFAOYSA-N 349.525 4.474 0 40 EIAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223503031 YRUCDRLFZDVESL-QGZVFWFLSA-N 325.452 4.430 0 40 EIAB Cc1cc(OCC(=O)NC[C@H](C)c2ccccc2)cc(C)c1Cl 224259059 RXZOSMLVMYEADQ-HNNXBMFYSA-N 331.843 4.256 0 40 EIAB Cc1cc(NC(=S)NC2CCCCCC2)ccc1N1CCCC1=O 225354138 IARMCHMZLSMKJW-UHFFFAOYSA-N 345.512 4.131 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1Br 225880530 NGDOAKVNHNYITN-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cn1 225910610 JJLBGVMPRFRGJA-DNVCBOLYSA-N 334.460 4.184 0 40 EIAB O=C(NCCc1ccccc1)NCc1nc(C2CCCCC2)cs1 390831555 SMSYOWLXVZOMOA-UHFFFAOYSA-N 343.496 4.233 0 40 EIAB Oc1nc(-c2ccc3c(c2)OCO3)nc2sc3c(c12)CCCCC3 408986454 CLLFHVCGMSRSKU-UHFFFAOYSA-N 340.404 4.062 0 40 EIAB CCOc1ccc(CNc2ccc3ccnc(O)c3c2)cc1OCC 424213038 SWCLENPANRNIKG-UHFFFAOYSA-N 338.407 4.350 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C(=O)O)CCC[C@H]32)C1 584578178 RZHLBFYAYSVNRS-WHHPXKAQSA-N 346.467 4.336 0 40 EIAB Cc1ccc(NC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1776000824 LUKZADCYBJCZAS-KRWDZBQOSA-N 339.439 4.021 0 40 EIAB COC(=O)c1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1 81015 GEILEGSJIAVSNL-UHFFFAOYSA-N 334.375 4.276 0 40 EIAB COc1ccc(-c2csc(N(C)C(=O)C3CCCCC3)n2)cc1 419007 IDCXIYAICITHJF-UHFFFAOYSA-N 330.453 4.362 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)c(C)c1 570467 JFMOGRDECOXAAY-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB COC(=O)c1sccc1-c1ccc(COC(=O)c2ccccc2)o1 1393432 IYDUFWJLOLJDKH-UHFFFAOYSA-N 342.372 4.152 0 40 EIAB COC(=O)[C@@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 1746969 SNOIQCGJNNGWFH-HXUWFJFHSA-N 345.398 4.308 0 40 EIAB C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 3873364 LKAJKIOFIWVMDJ-GGGZUALOSA-N 328.500 4.118 0 40 EIAB world Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(F)cc1 4033084 BHYWJTJZVANMSU-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB CCc1cccc2sc(NC(=O)c3cc(OC)cc(OC)c3)nc12 4325751 UAONGMQLDRAJES-UHFFFAOYSA-N 342.420 4.128 0 40 EIAB CCc1ccc(OCc2nnc(S)n2[C@@H](C)c2ccccc2)cc1 6343516 IBSFSHXLBJKTIU-AWEZNQCLSA-N 339.464 4.318 0 40 EIAB Cc1ccc(-c2nnc(S[C@H](C)c3ccccc3Cl)n2N)cc1 6652288 PXYDTDZXMIQDRS-GFCCVEGCSA-N 344.871 4.474 0 40 EIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 6787042 LZNODVUQZKWKMU-UHFFFAOYSA-N 349.173 4.400 0 40 EIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NC2CCCCCC2)c1 6906252 PGUXBIJFZMNEQI-UHFFFAOYSA-N 332.444 4.486 0 40 EIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 6919803 DLRNJMLSPPIQEQ-LBPRGKRZSA-N 338.432 4.490 0 40 EIAB O=C(OCc1nc(-c2ccccc2)no1)C1(c2ccccc2)CCCC1 7513269 HPLKQDYBUJXJLU-UHFFFAOYSA-N 348.402 4.292 0 40 EIAB COc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1 8594589 PTNBSNRUDRMRMJ-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB Cc1ccc(Cc2nnc(NC(=O)c3cc4ccccc4o3)o2)c(C)c1 8922899 RRNBMUWYTWJGSL-UHFFFAOYSA-N 347.374 4.276 0 40 EIAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 9547489 VTIUNJIJTWELOI-LBPRGKRZSA-N 347.484 4.041 0 40 EIAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c(OC)c1 9895022 QFQFPCMMNKSKAZ-XSSIKURBSA-N 337.419 4.081 0 40 EIAB COCCn1c(SCCOc2cccc(C)c2)nc2ccccc21 12062359 ZNTCKTYCRVZDAZ-UHFFFAOYSA-N 342.464 4.162 0 40 EIAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCc2ccccc2C1 12389444 ZHKQJIYAIZINHH-SFHVURJKSA-N 340.810 4.005 0 40 EIAB Cc1nc(-c2cc3ccc(OC(=O)CC(C)C)cc3oc2=O)cs1 12389923 ULJIFVLXWCWWBZ-UHFFFAOYSA-N 343.404 4.176 0 40 EIAB COCc1ccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 12398244 XWXDGGXFNQOGTQ-UHFFFAOYSA-N 327.468 4.121 0 40 EIAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2)cs1 12591368 RPJGQCYIZWBDDY-UHFFFAOYSA-N 349.459 4.120 0 40 EIAB CCOc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1 13563473 FODPLIAKUVXAIR-UHFFFAOYSA-N 334.419 4.028 0 40 EIAB O=C(Nc1nccs1)c1ccccc1-c1cc2ccccc2c(=O)o1 13655581 NCMSLTLGFOLEFV-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 14019164 LINWBSPPJUUMTL-UHFFFAOYSA-N 327.409 4.230 0 40 EIAB COc1ccc(C2=NN=C(Nc3cccc(Cl)c3)SC2)cc1 15452818 CGQOPJIDYFFSJF-UHFFFAOYSA-N 331.828 4.268 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1C 20025545 ZAGKMMOOEDCYPX-GFCCVEGCSA-N 348.240 4.257 0 40 EIAB CCCCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1OC 20136697 JFEGIIALLSHWQW-UHFFFAOYSA-N 331.412 4.356 0 40 EIAB C[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1F 24928057 LQIYPCDNGVQNAC-GFCCVEGCSA-N 341.411 4.335 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 27929622 OCNBQRFIHKIWSC-DHZHZOJOSA-N 337.810 4.237 0 40 EIAB COC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 28239644 AABFELMEBFESFY-UHFFFAOYSA-N 329.739 4.125 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)n2cnc3ccccc32)cc1 30646744 KPZCOVBRNNGMCO-QFBILLFUSA-N 333.435 4.269 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C(C)C)s3)s2)o1 31276619 XOPXHICASIUWRU-UHFFFAOYSA-N 348.453 4.247 0 40 EIAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1 32094240 RJUORLZMBZRKEA-MRXNPFEDSA-N 346.390 4.030 0 40 EIAB COC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 33901820 CEZKLEHYJURHTB-RSWOKULTSA-N 349.515 4.115 0 40 EIAB COc1ccccc1NC(=O)CSc1nc2ccccc2cc1C 35310695 IRAFKMOWQPEGBO-UHFFFAOYSA-N 338.432 4.283 0 40 EIAB CCc1ccc(Nc2cc(C(=O)OC)nc3c(OC)cccc23)cc1 38486748 SPTLOENKIZLSLI-UHFFFAOYSA-N 336.391 4.336 0 40 EIAB O=C(c1nc(Cl)ccc1Cl)N1CCCc2ccc(F)cc21 40117195 MVMWUTHOYAOUAA-UHFFFAOYSA-N 325.170 4.121 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2cccc(F)c2)C1 40268701 IGENTQNSBJADGO-HNNXBMFYSA-N 343.308 4.413 0 40 EIAB CCOc1ccccc1CNC(=O)CSCc1ccccc1Cl 44885730 WIBGLDQHYWJWSJ-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB O=C(NCc1cc(-c2ccccc2)no1)c1cccc2ccccc12 45775636 PEWVCBZUOPLWOX-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB O=C(Nc1ccncc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 56499323 OLZIXLHYXAJCFM-HXUWFJFHSA-N 329.403 4.261 0 40 EIAB Cc1noc(Cl)c1CCC(=O)N[C@H](CC(C)C)c1ccccc1 58015883 GLOXWAFYNKUNSF-MRXNPFEDSA-N 334.847 4.473 0 40 EIAB CCn1cc(-c2c(-c3ccccc3)ncn2C2CCN(C)CC2)c(C)n1 65371707 YJAQHCBJHAVFPR-UHFFFAOYSA-N 349.482 4.009 0 40 EIAB CC(C)c1nc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2s1 66873818 IYDOZQULOOTLAB-STQMWFEESA-N 344.436 4.025 0 40 EIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 71844129 LNOXOANGZHSBNQ-YPMHNXCESA-N 333.863 4.013 0 40 EIAB O=C(/C=C/c1cscn1)NC(c1cccs1)c1cccs1 71915271 JPJCCTKNEONGLN-AATRIKPKSA-N 332.475 4.185 0 40 EIAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72218949 LHJLJAJXTWLTTG-QGZVFWFLSA-N 345.487 4.452 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 72227803 VHVHUQAUFCRSCE-KBPBESRZSA-N 341.625 4.062 0 40 EIAB Cc1ccc2c(Cl)c(C(=O)NCC[C@H](O)C(C)(C)C)sc2c1 72243157 RQORCAAIEPWVJW-ZDUSSCGKSA-N 339.888 4.390 0 40 EIAB C[C@@H]1C[C@H]1[C@@H](c1csc2ccccc12)N(C)C(=O)/C=C/CN(C)C 74339096 YIOMOPWCEXBRPZ-XAYGADGKSA-N 342.508 4.175 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccsc1)c1nc(-c2cccnc2)cs1 75136705 QNJIKFSIIVXQKR-ITKZLYELSA-N 341.461 4.157 0 40 EIAB Cc1c(Cl)cccc1NC(=O)Nc1cc(N2CCCCC2)ncn1 75166293 XFMAOVYZOIUIGK-UHFFFAOYSA-N 345.834 4.073 0 40 EIAB CCCCC1CCC(NC(=O)c2csc(-c3cnn(C)c3)n2)CC1 84742981 RPDAUAGYGKSAQE-UHFFFAOYSA-N 346.500 4.022 0 40 EIAB O=C(OC1CCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 89828143 PTURJZQQJRRSJT-LJQANCHMSA-N 336.387 4.240 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NCc1ccc(Cn2ccnc2)cc1 95420157 XDCXRUDSFLQJRN-QGZVFWFLSA-N 335.451 4.099 0 40 EIAB COc1ccc([C@H](C)N[C@H](C)Cc2ccc(C)s2)cc1NC(C)=O 95422777 BJBPOYBBUPDQGU-OCCSQVGLSA-N 346.496 4.305 0 40 EIAB Cc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cn1 96446963 RNOIATKDTRZLKP-MRXNPFEDSA-N 346.434 4.012 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 113968975 INUWNAGIIAJGBL-AUUYWEPGSA-N 329.415 4.423 0 40 EIAB CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118935469 CGBFTMGKAPXWPF-QYLGYJGISA-N 344.495 4.408 0 40 EIAB O=C(Cc1cccs1)N1CCS[C@H](c2ccccc2F)CC1 219098660 HDYRBBWPDZWLKU-INIZCTEOSA-N 335.469 4.137 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3cccc(C)c3)c(C)n2)cc1 222576127 BOZFHGDRBSXJPC-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB Cc1cccc(CSCCNC(=O)COc2ccc(C)cc2C)c1 222824382 KIYZYMHBDRUZIX-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224252748 MYUCIEBVZJSBHV-OALUTQOASA-N 348.475 4.204 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccccc1Cl 224474379 JARAQRMHKPORKQ-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 225733426 DLHYBERKIHCQMT-LPHOPBHVSA-N 341.451 4.347 0 40 EIAB CCOC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OCC(C)C 225787874 KLKNGLJVTMSTFQ-UHFFFAOYSA-N 347.455 4.417 0 40 EIAB Cc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1Cl 226034681 LPMUOMCORBNZHR-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB COc1cccc(-c2nnc(SC(=O)c3ccc(Cl)cc3)o2)c1 408648898 CTQZEPSBHRBYCI-UHFFFAOYSA-N 346.795 4.331 0 40 EIAB O=C(N[C@H](c1noc(C(F)=C2CCCC2)n1)C1CC1)c1ccccc1 551091889 GWZSJNPISYNDFO-INIZCTEOSA-N 341.386 4.205 0 40 EIAB CC(C)CC1(C)CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 585085310 MCORVKRHPLGQBZ-OAHLLOKOSA-N 335.517 4.452 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1sc2nc(C)cc(C)c2c1N 109055 PNEGEGPMPZPPIM-UHFFFAOYSA-N 339.464 4.158 0 40 EIAB C[C@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2c2ccc(Cl)cc21 209301 PYHHWEGRVRNGQT-BJOHPYRUSA-N 327.767 4.247 0 40 EIAB biogenic Cc1cccc2sc(NC(=O)c3cncc(Br)c3)nc12 364199 RIXILMWHUNKGQE-UHFFFAOYSA-N 348.225 4.015 0 40 EIAB CC(C)Cn1c(SCc2ccccc2F)nc2ccccc2c1=O 3493872 GIXISTVGGRDCBA-UHFFFAOYSA-N 342.439 4.484 0 40 EIAB O=C(CCC(=O)c1cccs1)OCc1nc2ccccc2s1 4165779 TYMQLVSQHIOUSI-UHFFFAOYSA-N 331.418 4.064 0 40 EIAB Cc1ccc(C)c(OCC(=O)Nc2cccc(Br)c2)c1 5698282 XUFGBGJCEBBWEA-UHFFFAOYSA-N 334.213 4.083 0 40 EIAB CCc1nc2ccccc2c(C(=O)NCc2ccc(OC)cc2)c1C 6053938 PKADAWKBQQVVIW-UHFFFAOYSA-N 334.419 4.044 0 40 EIAB c1ccc(OCCCn2c(CN3CCCCC3)nc3ccccc32)cc1 6664673 IRWNENXCOMGXSY-UHFFFAOYSA-N 349.478 4.491 0 40 EIAB Cc1csc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)n1 7737675 SRHGABBBXVYLQI-HNNXBMFYSA-N 332.494 4.080 0 40 EIAB Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl 7945314 SAFNVOPGHMMGJD-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB O=C(Nc1nccs1)c1cccc(OCc2ccc(F)cc2)c1 8230238 FGGUUXXPLUFOAW-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 8249399 ORMROFGWORYBCF-UHFFFAOYSA-N 343.386 4.001 0 40 EIAB Cc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 10213714 UYTQHQBFMUWKQC-UHFFFAOYSA-N 346.438 4.267 0 40 EIAB Oc1cccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)c1 10215371 LXJBSTJNXNZNNS-CTNGQTDRSA-N 343.386 4.030 0 40 EIAB CCOc1cccc2cc(-c3csc(NC(=O)C4CC4)n3)oc12 10749986 DXBIYVRIKZWQIL-UHFFFAOYSA-N 328.393 4.304 0 40 EIAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccccn3)n2)c1C 10892063 NTSCSDXIRZFZDI-UHFFFAOYSA-N 340.452 4.286 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccccc1Cl 10893686 ZZDWBNRUDALLSX-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)cc(C)c2)c(OC)c1 11336958 CYZCWPAGBCGTCO-IBGZPJMESA-N 339.435 4.298 0 40 EIAB CC(C)(C)c1ccc(CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1 12592244 ZPEHESCSIAXVGM-LJQANCHMSA-N 342.464 4.013 0 40 EIAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3ccccc3Cl)n2)c1 13495291 NMFHPCKIUNPENK-LBPRGKRZSA-N 341.798 4.189 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c(C)c1 13947981 DKYMKQAXHJJMPU-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCC1 13995909 MLGVRCKZRKMGGW-UHFFFAOYSA-N 343.814 4.220 0 40 EIAB CN(C)[C@@H](CNc1ncnc2ccsc12)c1ccccc1Cl 14123772 FBLVADMIRHDNKC-AWEZNQCLSA-N 332.860 4.060 0 40 EIAB CCc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 14247065 UMVDPIZETVAQGV-FQEVSTJZSA-N 334.419 4.152 0 40 EIAB CCOc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 15017127 FDSGNWGDOUSHEL-OAHLLOKOSA-N 346.224 4.126 0 40 EIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2c(O)cccc12 17072401 FXUZBFDIGXWWNG-OUKQBFOZSA-N 348.427 4.072 0 40 EIAB C[C@H](NC(=O)C[C@@H](C)n1cccn1)c1cc2cc(Cl)ccc2o1 19455396 QBEHBQVVUACXTD-NEPJUHHUSA-N 331.803 4.111 0 40 EIAB C[C@H]1CCCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 20460886 MNJHMQCWAIQXJI-KRWDZBQOSA-N 334.463 4.121 0 40 EIAB COc1ccc(OCCCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 20487731 UMJIZKQKDVSIPE-UHFFFAOYSA-N 347.842 4.166 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccco1 20490705 LIBGUHLISKFDBX-QGZVFWFLSA-N 347.480 4.103 0 40 EIAB FC(F)(F)c1cnc(Nc2ccc3c(c2)OCCO3)c(Cl)c1 21673486 YHYIWMSSKHMCAG-UHFFFAOYSA-N 330.693 4.269 0 40 EIAB Cc1ccc(CN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 21924150 KBMANUKFXSBCJQ-UHFFFAOYSA-N 337.448 4.116 0 40 EIAB CC(C)n1nccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 22289722 ZAHDBFJJUBAMFH-UHFFFAOYSA-N 343.358 4.027 0 40 EIAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H]1c1ccccc1 22328738 AOTYLXRDAOKUHX-AEFFLSMTSA-N 341.838 4.255 0 40 EIAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 22762815 DJZFFTXJURCEHM-QUDLODQRSA-N 329.406 4.440 0 40 EIAB CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23119146 XCMRDFVUASBUMG-UHFFFAOYSA-N 345.402 4.205 0 40 EIAB CC[C@H](C)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 23872465 MGRNJZOLPDNSMR-MGPUTAFESA-N 341.451 4.150 0 40 EIAB O=C(OCc1cnn(-c2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 24992324 AVEJLLUFSITRJS-UHFFFAOYSA-N 336.435 4.132 0 40 EIAB C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl 31486837 XAJWOADCIGCSAM-GFCCVEGCSA-N 343.789 4.156 0 40 EIAB CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccccc1)N(C)C 32232864 WJVNYZBAAFGAGF-IKESIWSLSA-N 331.780 4.420 0 40 EIAB CC(C)NC(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 32656429 YWRFDHNUGVFCFQ-UHFFFAOYSA-N 331.460 4.059 0 40 EIAB COc1cc2c(cc1/C=C1/C(=O)Nc3ccc(Cl)cc31)O[C@H](C)C2 32674130 GCYMNEAJYZPUOB-UWJMNNEMSA-N 341.794 4.165 0 40 EIAB Cc1cc(N(C)Cc2ccccc2N2CCOCC2)c2ccccc2n1 32902984 HFBCLRJEBNBBKE-UHFFFAOYSA-N 347.462 4.016 0 40 EIAB Cc1cc(C(=O)NCc2cc(-c3cc4ccccc4o3)on2)c(C)o1 38754661 HNVSPJJUCFRPKR-UHFFFAOYSA-N 336.347 4.228 0 40 EIAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccccc1 47371663 QXCAJZSSDBWJEZ-UHFFFAOYSA-N 340.386 4.391 0 40 EIAB Cc1ccc([C@H](C)N(C)C(=O)Nc2cccnc2N2CCCC2)s1 47540790 QMUPDHBXMHMBFQ-AWEZNQCLSA-N 344.484 4.277 0 40 EIAB Fc1cc(CSc2nccc(C(F)(F)F)n2)c2ncccc2c1 48353717 LWFATKPTGFJTJY-UHFFFAOYSA-N 339.317 4.475 0 40 EIAB O=C(C[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 49621376 BJDDJPUUVNONCG-UWJYYQICSA-N 335.403 4.208 0 40 EIAB CCCN(C(=O)c1ccc2[nH]nnc2c1)[C@H](C)c1cc2ccccc2o1 54283576 WXBXRGAEBALSBA-CYBMUJFWSA-N 348.406 4.318 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1cnn(C(C)C)c1C(F)(F)F 58323222 ZOJVGHXWDYGBEW-LBPRGKRZSA-N 339.361 4.282 0 40 EIAB Cc1cccc(-c2noc(C[S@](=O)Cc3ccccc3Cl)n2)c1 58377570 JNJQKSOVHICFLQ-QHCPKHFHSA-N 346.839 4.147 0 40 EIAB O=C(Nc1c(F)cccc1F)N(Cc1ccccn1)Cc1ccco1 62018137 HRUWCMVDLIMUGD-UHFFFAOYSA-N 343.333 4.187 0 40 EIAB COc1ccc(-c2cnc(CSc3nccn3C3CC3)o2)cc1 65279811 XLBILUHPJHDIBY-UHFFFAOYSA-N 327.409 4.174 0 40 EIAB CN(CCCc1ccccc1)C(=O)Nc1ccc(Cn2ccnc2)cc1 69817044 PMAOQEKWLKBMHC-UHFFFAOYSA-N 348.450 4.028 0 40 EIAB Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1 69894235 NNCBFSNVEPMDHX-UHFFFAOYSA-N 340.402 4.329 0 40 EIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccsc1)CC(O)=N2 71279860 BGLSPYARUNTFPW-ZDUSSCGKSA-N 331.441 4.257 0 40 EIAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c(OC)c1 71287025 BZPPNUGPHALUDP-HNNXBMFYSA-N 347.440 4.073 0 40 EIAB COc1ccc(OC)c(NC(=S)Nc2ccc(F)cc2Cl)c1 71761709 SOGRFASXMDXYLP-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 71910102 XEIIRIXFBTVLJJ-UHFFFAOYSA-N 345.670 4.297 0 40 EIAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1c1cccnc1 71911037 IKHKYSYHGCEIMI-ZIAGYGMSSA-N 330.815 4.264 0 40 EIAB COc1ccc(-c2csc(CNC(=O)CCC3CCCC3)n2)cc1 72264911 DXWTVTFDGIRLDZ-UHFFFAOYSA-N 344.480 4.405 0 40 EIAB C[C@H](C(=O)Nc1cccc(Cl)c1SCC(F)F)n1ccnc1 72290762 IJSNOFFOYPGMLK-SECBINFHSA-N 345.802 4.093 0 40 EIAB COc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)cc1Cl 73639500 KVMRFNICBICWIA-UHFFFAOYSA-N 340.770 4.046 0 40 EIAB C[C@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccccc2F)n1 75123980 YAKJICCGCJBCDM-GFCCVEGCSA-N 341.411 4.177 0 40 EIAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)C[C@H]2CCCO2)n1 76042896 IAVLVKRTNLCBBE-KGLIPLIRSA-N 336.501 4.063 0 40 EIAB CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(C(F)(F)F)c1 78594913 VQYGMKIPTCZIPK-HNNXBMFYSA-N 340.389 4.249 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 83943897 QFAWQQNGFBZYOO-AABGKKOBSA-N 336.435 4.098 0 40 EIAB Cc1ccccc1NCCC(=O)N1CCCCC[C@@H]1c1ccncc1 84244246 GPGZBILOVYJNBV-HXUWFJFHSA-N 337.467 4.336 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89529272 OACCLSHGWKLGFO-RBUKOAKNSA-N 334.419 4.207 0 40 EIAB O=C(Nc1ccccn1)c1cc2occc2n1Cc1ccccc1F 95116721 ZVTRMRFTONVMNQ-UHFFFAOYSA-N 335.338 4.069 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CC2(n3cccc3)CCCCC2)cc1 95474456 YYYYYHZPBPWZLB-UHFFFAOYSA-N 339.439 4.135 0 40 EIAB O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC=C(F)C1 95992814 YYPBBUMTJGQDOM-UHFFFAOYSA-N 334.394 4.389 0 40 EIAB O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1 96003919 YGIUAPIWZPYFTJ-JKSUJKDBSA-N 348.284 4.345 0 40 EIAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cccc(F)c1 96119857 ZARJPWNFDMKCJZ-UHFFFAOYSA-N 339.391 4.048 0 40 EIAB CSC[C@@H]1CCN(C(=O)Nc2ccccc2SC(F)F)C1 96417930 KYKUNVNRXWNZPR-SNVBAGLBSA-N 332.441 4.218 0 40 EIAB C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ncc(C(C)(C)C)o1 96447848 CZTQFBHLYSMYAR-LBPRGKRZSA-N 342.443 4.429 0 40 EIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C/C=C\c1ccccc1 96536819 CIIVHRJYVVCPRD-HWDCPHDLSA-N 345.446 4.433 0 40 EIAB O=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1ccccc1F 98087009 RBNXBDAVYOHOBA-DHDCSXOGSA-N 331.343 4.201 0 40 EIAB CCCCO[C@@H](C)OCCC(F)(F)C(F)(F)Br 98210588 QMEXHUCZGDTTAM-MRVPVSSYSA-N 325.140 4.179 0 40 EIAB O=C(O)C12C[C@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 100064532 GLJDZZQQPFAEPQ-HAPPLVQASA-N 330.268 4.193 0 40 EIAB Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2CC(C)C 100423891 HVOIUCZOOPEFEE-QZTJIDSGSA-N 345.556 4.323 0 40 EIAB Cc1ccc(CSCCNC(=O)c2ccccc2OC(C)C)cc1 219731679 WVXNWZODQZSUHU-UHFFFAOYSA-N 343.492 4.445 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C 225311627 VYTFBFLODRIFQI-INIZCTEOSA-N 345.870 4.473 0 40 EIAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(Cl)cc2F)c1 225759442 CRHMBZXFCGQJLM-UHFFFAOYSA-N 333.834 4.463 0 40 EIAB Cc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225867552 NTIHNCWRYTUDMJ-SFHVURJKSA-N 337.463 4.229 0 40 EIAB CCCOc1ncc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C 225911558 UNNALDWYSRUQBD-YWZLYKJASA-N 348.487 4.493 0 40 EIAB CCCN(C(=O)c1cc(C(C)C)[nH]n1)[C@H](C)c1ccccc1OC 521146192 NNLLLQCHOZJYBV-CQSZACIVSA-N 329.444 4.155 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)o1)c1cccc(Br)c1 575611033 SYCRGACGQPWFKW-UHFFFAOYSA-N 346.180 4.232 0 40 EIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cc(C)cc(C)c1 1565524384 LGFILZFFIYTDCM-UHFFFAOYSA-N 325.437 4.365 0 40 EIAB CC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 299402 OJMGCWJIOWKBLJ-UHFFFAOYSA-N 339.174 4.180 0 40 EIAB COc1ccc([C@@H](CCNC(=O)c2cccs2)c2ccco2)cc1 487610 KURRSNXWGDHQIY-MRXNPFEDSA-N 341.432 4.302 0 40 EIAB biogenic COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Cl 528616 ZDAZOEZZDSVHGK-UHFFFAOYSA-N 327.714 4.202 0 40 EIAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1Cl 569618 XDAZHGWEJWNFDI-UHFFFAOYSA-N 333.815 4.490 0 40 EIAB O=c1oc2ccccc2cc1-c1csc(NNc2ccccc2)n1 1814052 GTJUCWGHYQSFFU-UHFFFAOYSA-N 335.388 4.356 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)c2ccc(C)cc2C)cc1 3251231 ILXOSYMBKGMFCM-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB CCCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 3330114 GNHKHIQGSWZPEG-UHFFFAOYSA-N 346.452 4.002 0 40 EIAB CCSc1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 3343742 HTNZREOOLVGIQF-UHFFFAOYSA-N 348.280 4.138 0 40 EIAB Cc1c(-c2cccc(NC(=O)c3cccc(F)c3)c2)nc2ncccn12 4225221 KBFCJHVOWAMXIZ-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB CO[C@](F)(C(=O)Oc1ccc2c(c1)oc1ccccc12)C(F)(F)F 4593633 QWOJWQJXMMFGPU-OAHLLOKOSA-N 342.244 4.366 0 40 EIAB CN(Cc1ccc(Cl)nc1)C(=S)Nc1ccc(Cl)cc1 6379164 JUHIQHCMFCWOAF-UHFFFAOYSA-N 326.252 4.217 0 40 EIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1 6545033 BCGULWGRKFTEQP-BQYQJAHWSA-N 329.783 4.153 0 40 EIAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 7265109 GLQSCKABHARKMT-UHFFFAOYSA-N 346.386 4.200 0 40 EIAB Cc1cc(Cl)ccc1OCC(=O)N1CCc2sccc2[C@H]1C 7829495 HRWFUIWOYNLIKA-GFCCVEGCSA-N 335.856 4.235 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)o1)NCCc1ccccc1F 7987850 LMTAONCKTDFAEE-UHFFFAOYSA-N 337.394 4.377 0 40 EIAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 8163073 IXANYBSJUVHORR-IBGZPJMESA-N 336.435 4.003 0 40 EIAB Cc1cccc(N(CC(=O)c2cccs2)C2=NCCCS2)c1 8414619 VISBMBSDHCUZIZ-UHFFFAOYSA-N 330.478 4.239 0 40 EIAB COc1ccc(-c2nnc(SCc3cccc(OC)c3)o2)cc1 8749523 ZRNSCLCMAMGQJN-UHFFFAOYSA-N 328.393 4.046 0 40 EIAB Cc1ccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)cc1 9404018 XAPMNNBEZFQHTM-UHFFFAOYSA-N 347.509 4.055 0 40 EIAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)c1 10226002 KLIUFEYFILSISA-FQEVSTJZSA-N 338.451 4.088 0 40 EIAB O=C(OCC(=O)c1cccc2ccccc12)c1c(F)cccc1F 11125728 GXCNOWDAWPTCDV-UHFFFAOYSA-N 326.298 4.158 0 40 EIAB CCOc1ccccc1OCCCCn1c(C=O)nc2ccccc21 11735036 WRBGJCAZDZRUDS-UHFFFAOYSA-N 338.407 4.107 0 40 EIAB COc1ccccc1Cc1noc2cc(OC(=O)C(C)(C)C)ccc12 11854106 VYOCCZGFLIRPAZ-UHFFFAOYSA-N 339.391 4.379 0 40 EIAB COc1cc(/C=C/C(=O)O)ccc1OCc1c(F)cccc1Cl 11863645 VHOMFNLTIBPPQF-SOFGYWHQSA-N 336.746 4.165 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)c(Cl)c(C(=O)O)c12 12396219 RBFJGUCMNCOLFJ-UHFFFAOYSA-N 345.761 4.097 0 40 EIAB COc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC(=O)O 12537386 OVXOBDFGANISGF-QPJJXVBHSA-N 349.386 4.186 0 40 EIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 12539581 YHQVOYIXOVEIHO-CQSZACIVSA-N 329.403 4.136 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 12557285 KQQXJVURSOJHBS-UHFFFAOYSA-N 336.265 4.473 0 40 EIAB Cc1cccc(C)c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12999139 BERAWIPNRQDTDY-ZDUSSCGKSA-N 341.382 4.150 0 40 EIAB C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1F)c1ccccc1 13006910 BSVABCKOOMCTBG-CYBMUJFWSA-N 335.806 4.377 0 40 EIAB C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 15503024 PBCWGDQFBUCLNH-HYLLBBGHSA-N 348.446 4.163 0 40 EIAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(F)cc3)ccc21 16813071 JJHCARRGFYBNAU-GFCCVEGCSA-N 343.423 4.098 0 40 EIAB COc1ccc(CN[C@H](Cc2cccs2)c2nccs2)cc1 19555880 SPCPNWQWNCGDDX-MRXNPFEDSA-N 330.478 4.287 0 40 EIAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 20138849 NENFYRPSDXHQCA-UHFFFAOYSA-N 347.370 4.313 0 40 EIAB O=C(O)/C=C/c1cccc(OCc2cccc(Br)c2)c1 20526798 WOBLPKNKRLVNOU-BQYQJAHWSA-N 333.181 4.126 0 40 EIAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3ccccc3Cl)cc12 22197954 CAYHPLVMFWPRHG-LLVKDONJSA-N 343.814 4.491 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(OC)cc1 22519532 IPUUXRJQYWPESK-SFHVURJKSA-N 347.842 4.165 0 40 EIAB COCc1c(C(=O)Nc2cc(C)ccn2)sc2cccc(F)c12 24580952 NVJOLMPDFJFAMD-UHFFFAOYSA-N 330.384 4.143 0 40 EIAB COc1ccc(CCS[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1 32854107 VXNRKFOHYPEQIF-AWEZNQCLSA-N 345.464 4.007 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(C)c(C)n1C1CC1 32894146 KAAHECSHUZFGSQ-AWEZNQCLSA-N 343.496 4.113 0 40 EIAB CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1cccc(C)c1 35622152 DOWHAWCSIFGUHF-SFHVURJKSA-N 341.846 4.361 0 40 EIAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccccc2F)C1 36358840 ZZHUPWXUEHLBKE-LBPRGKRZSA-N 331.416 4.396 0 40 EIAB CC(C)c1noc([C@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 40081913 XOMCAFQNIFMDKF-KBPBESRZSA-N 340.427 4.275 0 40 EIAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(F)c1 41184950 BVJUUISPYACQCD-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB CCOc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1 44239637 BTJLOFUDEVYNPC-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB CN(Cc1cc(Br)cs1)C(=O)c1ccccc1Cl 48069563 UUKABYVJDDCZIC-UHFFFAOYSA-N 344.661 4.436 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCCSc2ccccc21 48365603 JGTXONHFMBQPDZ-UHFFFAOYSA-N 326.446 4.439 0 40 EIAB CC(C)c1ccc(N2C(=O)CN=C2Nc2ccccc2Cl)cc1 57509503 HUDWGMTVGPQSBK-UHFFFAOYSA-N 327.815 4.278 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccc(OC(C)C)c(OC)c1)CC(O)=N2 61719175 AELPXZYINXKRFJ-NSHDSACASA-N 347.440 4.104 0 40 EIAB O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc2ccccc2n1 69583364 CWGAGVKOVDBMKP-UHFFFAOYSA-N 347.418 4.078 0 40 EIAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)[C@@H]1CCCO1 69809414 FXJYGPGIKKSCRF-INIZCTEOSA-N 341.798 4.001 0 40 EIAB Cc1noc(C)c1CN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 69893277 GKJDZEBMJLHSLA-IBGZPJMESA-N 343.377 4.186 0 40 EIAB O=C(C1CCC1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72288563 ASBGUMDHWOIDRI-INIZCTEOSA-N 329.831 4.194 0 40 EIAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)cc1C 72329817 UEDMQQBLVFBLAZ-UHFFFAOYSA-N 349.814 4.477 0 40 EIAB c1cc([C@@H]2CCCN2CC2CCCCC2)nc(Nc2nccs2)n1 72377850 RPYFNXFINGRWGX-INIZCTEOSA-N 343.500 4.394 0 40 EIAB Cc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 72414154 QVWJQLUCECKIBC-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Br)cc1Cl 75410199 BUKDALKBVYKQIY-UHFFFAOYSA-N 343.612 4.086 0 40 EIAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCOc2ccccc21 76764245 KRYCAVMCRNWSSG-HNNXBMFYSA-N 336.416 4.315 0 40 EIAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(C4CC4)nc3c2)cc1 79501451 KSCGCZDDRLUVNV-UHFFFAOYSA-N 335.407 4.020 0 40 EIAB Cc1csc(CSc2nnc(CCCc3ccccc3)o2)n1 95418416 KQGCTICNSGZYIE-UHFFFAOYSA-N 331.466 4.302 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1F 96402277 ZDPFMJGASHZKJV-OPYAIIAOSA-N 346.405 4.230 0 40 EIAB C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCSCC1 96473556 PPHYQECSUDDGNK-VIFPVBQESA-N 344.267 4.153 0 40 EIAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2Cl)C1=O 101275260 LYRMHQIKFFBFOS-CQSZACIVSA-N 349.217 4.046 0 40 EIAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)Nc1ccccc1 207967932 IYBDWHJQJNPUKV-MRXNPFEDSA-N 344.461 4.213 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1OC 222577173 BTBLDXZZRPFIND-SJLPKXTDSA-N 341.451 4.347 0 40 EIAB Cc1ccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 223412685 OGZPSHRYRPKQQJ-QGZVFWFLSA-N 343.492 4.120 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1cccc(Cl)c1 224102629 WDTZFUIAMGNNSA-GOSISDBHSA-N 329.827 4.085 0 40 EIAB CCOCc1cc(C(=O)Nc2ccccc2CC)ccc1OCC 224694156 VKYZUYWLAZFBRD-UHFFFAOYSA-N 327.424 4.437 0 40 EIAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCC2)cc1 224915461 VCNWFWKVDVXMLY-UHFFFAOYSA-N 349.478 4.135 0 40 EIAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc2cc(OC)ccc2c1 225119241 CMVNAQQFPOYZJS-HNNXBMFYSA-N 349.496 4.343 0 40 EIAB Nc1cc(C(=O)O)ccc1N(Cc1ccccc1)Cc1ccccc1 225322708 OZEQRQZKTONYTC-UHFFFAOYSA-N 332.403 4.174 0 40 EIAB CCOc1ccc(NC(=O)C2(OC)CCCC2)cc1C(F)(F)F 225803639 YPNYBILGMBENKN-UHFFFAOYSA-N 331.334 4.002 0 40 EIAB CC(C)Cn1c(C(C)C)nc2c1C1(CCNCC1)Oc1ccccc1-2 306144484 ZGLCHKBRMCEJQT-UHFFFAOYSA-N 339.483 4.301 0 40 EIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1Cl 575610038 JCRJKTYQKPRKBQ-AWEZNQCLSA-N 347.823 4.125 0 40 EIAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148049 MWXGBDJHJGLFEB-WOJBJXKFSA-N 349.430 4.290 0 40 EIAB COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cc(C(C)C)on1 622728894 NFRICGUSPPERRJ-HNNXBMFYSA-N 342.439 4.282 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(NCc3cccnc3)cc2)cc1 303387 TVWNRWNMJKCWAP-UHFFFAOYSA-N 347.418 4.020 0 40 EIAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)cc1Cl 344821 OWJPPSOFTIYECL-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB Cc1ccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1 582210 CNFSJCQJHBABBG-FQEVSTJZSA-N 328.419 4.349 0 40 EIAB O=C(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Cl 789895 UARLICAAVXOKAQ-UHFFFAOYSA-N 342.129 4.116 0 40 EIAB Cc1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1 794850 FQAAWYMYMJXHBY-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC 818107 SCVVMLNKRDQMPW-HXUWFJFHSA-N 335.407 4.157 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1F)CO3 2158905 WFAMBYVXVKMHGO-UHFFFAOYSA-N 343.329 4.045 0 40 EIAB biogenic O=C(c1ccc2ccccc2n1)N1CCC(Cc2ccccc2)CC1 2398925 SQXUICJGHOGNMK-UHFFFAOYSA-N 330.431 4.330 0 40 EIAB Cc1ccc(Oc2ncccc2C(=O)NCCc2ccccc2)c(C)c1 2543555 NAAMEHVRIKOVMJ-UHFFFAOYSA-N 346.430 4.463 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 2624458 GWNPNQCWJYXUOH-UHFFFAOYSA-N 342.439 4.393 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(F)cc3)cs2)cc1 4570748 RMGMPZCQAYTPLN-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB Cc1ccn2cc(C(=O)OCc3ccc(Cl)cc3Cl)nc2c1 5270732 YYQZJZCDOLAXJX-UHFFFAOYSA-N 335.190 4.307 0 40 EIAB O=C(Nc1ccc(C(=O)O)c(O)c1)Nc1ccc(Cl)c(Cl)c1 5375235 XYNGHMRRWHKDAZ-UHFFFAOYSA-N 341.150 4.041 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(F)c(F)c2)c1 5565114 LCWNQNTZINXOHU-NSHDSACASA-N 335.375 4.287 0 40 EIAB Fc1cccc(CSc2nc3ncc(Br)cc3[nH]2)c1 6188151 BXDVLYJRNNYYSL-UHFFFAOYSA-N 338.205 4.152 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1Cl 7605989 XMTBNGCJOWRBAV-STQMWFEESA-N 335.806 4.432 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CN(Cc1ccc(F)cc1)C1CC1 7788804 VFJHONPCJCMHAR-UHFFFAOYSA-N 336.410 4.463 0 40 EIAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 7883884 XMAWHXOTXOUJSL-FQEVSTJZSA-N 346.386 4.172 0 40 EIAB C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccs1 8723886 UWZGHSXJUKKEGX-CQSZACIVSA-N 335.428 4.470 0 40 EIAB COc1ccc2cc(CNC(=O)c3ccc(F)c(F)c3)ccc2c1 9940670 MEMIJYLKIKNMPO-UHFFFAOYSA-N 327.330 4.057 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)cc1 10541871 ORNXEHSSVCCDKZ-UHFFFAOYSA-N 335.325 4.307 0 40 EIAB Cc1cc(C)c(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1C 11566471 CJODOYDWYJYGER-UHFFFAOYSA-N 325.518 4.413 0 40 EIAB Cc1nn([C@H](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1C 12194706 LFVHHSMRXBSAKI-CZUORRHYSA-N 339.483 4.126 0 40 EIAB CN(C)c1cccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 12554828 RDMYVGCVCCBPMR-INIZCTEOSA-N 346.883 4.373 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1C 12782120 ZWTZWBNPYVMDEE-GASCZTMLSA-N 340.467 4.396 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nccs2)cc1 12892231 ZKJGIZRMQQSPTL-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2)cc1 12984876 OAEGFEMXXSRMRH-HXUWFJFHSA-N 338.451 4.251 0 40 EIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)c(F)c1 13961267 RCQGGDFMEOTEHK-UHFFFAOYSA-N 334.753 4.072 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 16086527 HRGLUQIBHSTGQV-QMMMGPOBSA-N 336.265 4.094 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20040889 DQOGQKLGIKPHLS-KXBFYZLASA-N 327.424 4.038 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)O)c1C 20139170 DAVZYDCHUCBPBW-UHFFFAOYSA-N 335.359 4.107 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 20483681 JBFYNBRWMSYVRJ-UONOGXRCSA-N 347.842 4.383 0 40 EIAB Cc1ccccc1NC1(c2nnnn2-c2ccccc2)CCCCC1 22436812 UNQDWOYMNCXWDJ-UHFFFAOYSA-N 333.439 4.242 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccsc1 25330589 CNDDWXDRBXQTTR-SNVBAGLBSA-N 349.308 4.149 0 40 EIAB O=C(c1cc2ccccc2oc1=O)N(c1ccccn1)C1CCCCC1 25354979 NXTJVMYJWLCZCA-UHFFFAOYSA-N 348.402 4.168 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1OC(F)F 27358667 NDAOSEDJTFDCDL-XJKSGUPXSA-N 349.377 4.323 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1C 27664446 YEDKZUSNUKYKEE-OAHLLOKOSA-N 336.391 4.364 0 40 EIAB O=C(CNc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 29901728 HBCGTNQYYKVAQK-UHFFFAOYSA-N 343.858 4.381 0 40 EIAB O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2ccccc2F)o1 32772648 AVOXDWUQAFZUGA-UHFFFAOYSA-N 328.368 4.283 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 36620403 UEZWHRYTLNGCBW-KRWDZBQOSA-N 349.883 4.483 0 40 EIAB CCc1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 39756219 RCLZAESCPWMBCV-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(-n2cccc2)cc1 40024704 ZAIXHUOZJLQTMB-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2nc1C 40107786 IKFMFGFIVBXCBF-SFHVURJKSA-N 337.448 4.285 0 40 EIAB Cc1cccc(C(=O)Nc2c(C)cc(Br)cc2Cl)n1 40134646 SJCFESUKEHFVFX-UHFFFAOYSA-N 339.620 4.367 0 40 EIAB COc1ccccc1CNc1ncnc2cc(Br)ccc12 40268477 BBYCDICXFPDNFF-UHFFFAOYSA-N 344.212 4.013 0 40 EIAB O=C(c1ccc(SC(F)F)cc1)N(Cc1ccncc1)C1CC1 40489951 IEXGLXSQFXMBCR-UHFFFAOYSA-N 334.391 4.201 0 40 EIAB COc1ccc(Cl)cc1[C@H](O)c1ccccc1Br 55203404 PFENPNFAXZIZKJ-CQSZACIVSA-N 327.605 4.193 0 40 EIAB CC(C)Sc1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 55285941 VWEZLNXLDGENKR-UHFFFAOYSA-N 348.855 4.192 0 40 EIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@H](C)c2ccccc21 57996251 HABRTJVNFRSDRM-AWEZNQCLSA-N 348.450 4.475 0 40 EIAB C[C@H](O)CNc1nc(C2CC2)nc2scc(-c3ccccc3)c12 58540978 JVQPYZZKKNMOFX-NSHDSACASA-N 325.437 4.028 0 40 EIAB CCCc1cc(-c2nc(C)c(C(=O)Nc3cccnc3)s2)ccn1 61722055 NLENDFLLXVDBTC-UHFFFAOYSA-N 338.436 4.113 0 40 EIAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(SC)cc1 64476825 NEZWLDZSIYSGER-UHFFFAOYSA-N 335.494 4.241 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)cc1 65162201 AERKQPHIXZCQIY-SFHVURJKSA-N 327.493 4.389 0 40 EIAB CCC[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 69587686 YZRRDVICVALJKC-CQSZACIVSA-N 346.496 4.163 0 40 EIAB C[C@@H](C(=O)N1CCCCCC1)[S@](=O)Cc1ccc(C(C)(C)C)cc1 69813877 BGXVTDIAHOHXAF-FYSMJZIKSA-N 349.540 4.024 0 40 EIAB Cc1ccc(CCC2CCN(c3nn4cc(C)nc4s3)CC2)cc1 70039830 AEBVIUGWRJLLHP-UHFFFAOYSA-N 340.496 4.257 0 40 EIAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357790 OROFEWLYXLSRKS-NRFANRHFSA-N 343.430 4.045 0 40 EIAB O[C@@H](CNCc1ccccc1)c1cccc(OCc2ccccc2)c1 75772286 IMXPVDJTXSLWFX-QFIPXVFZSA-N 333.431 4.089 0 40 EIAB O=C(/C=C/C1CC1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 80328158 XJSYKYSROLOWNM-LCJITAHGSA-N 339.460 4.040 0 40 EIAB CO[C@@H]1CCCC[C@H]1OC(=O)c1sc(Cc2ccccc2)nc1C 84064421 BPOZIUSPGKIUOM-HZPDHXFCSA-N 345.464 4.157 0 40 EIAB CC(C)c1csc(C(=O)Nc2cccc(Oc3cccnn3)c2)n1 85730866 VKMCHJRDDIQCST-UHFFFAOYSA-N 340.408 4.101 0 40 EIAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCc1ccnc(N2CCCC2)c1 89857757 TWSIGSXDTBWPRQ-LJQANCHMSA-N 349.478 4.218 0 40 EIAB O=C(CCCc1ccccn1)N1C[C@H]2CCCC[C@@]21c1ccccc1 95412749 ZVSLEFDUBNBAKS-DENIHFKCSA-N 334.463 4.332 0 40 EIAB Cc1ccccc1[C@H](C)NC1CCN(C(=O)c2ccccc2F)CC1 95420275 ICODDEFJFQOLJS-INIZCTEOSA-N 340.442 4.090 0 40 EIAB CC[C@@H](NC(=O)NCc1cccc(COC(C)C)c1)c1nccs1 96415286 ZIPJXGHLZDYVOU-MRXNPFEDSA-N 347.484 4.019 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c(C)c1 113959964 HXWOSRBTFQAMBJ-KRWDZBQOSA-N 341.451 4.174 0 40 EIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 113968969 INUWNAGIIAJGBL-IFXJQAMLSA-N 329.415 4.423 0 40 EIAB O=C(c1ccncc1)N1CCS[C@H](c2ccccc2Cl)CC1 206994063 JTBKNJFLLIKTEF-INIZCTEOSA-N 332.856 4.055 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)NCCCOC2CCCCC2)c1 222606891 OPGBVQHLUKJKJA-UHFFFAOYSA-N 347.499 4.353 0 40 EIAB C[C@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCC2 223243993 FCHCTRUSAOPDGI-AWEZNQCLSA-N 343.467 4.425 0 40 EIAB Cc1nc(-c2cccc(NC(=S)NCCCOC(C)C)c2)cs1 225180336 WIVUJYSIPBXSCZ-UHFFFAOYSA-N 349.525 4.220 0 40 EIAB CS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)co2)cc1 225444931 WWWMLFVEVISANN-UHFFFAOYSA-N 345.445 4.037 0 40 EIAB Cc1nc2ccccc2nc1CSCc1nnc(C2CCC2)o1 225471647 MLQBXPULGKHTLF-UHFFFAOYSA-N 326.425 4.022 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(Cl)c1 225634468 XOJMAAPWJWFMGL-CYBMUJFWSA-N 334.872 4.402 0 40 EIAB CO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c2ncccc12)C1CC1 225892160 PUYUBJIRTNHDLV-FQEVSTJZSA-N 342.439 4.023 0 40 EIAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1 226287887 UYQKOJPFGPHMGL-UHFFFAOYSA-N 342.398 4.408 0 40 EIAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2ccc3ccccc3c2)n1 257339260 ZAYXQOHIFZMAJX-NRFANRHFSA-N 346.478 4.029 0 40 EIAB O=S(=O)(Cc1ccccc1)N[C@H](c1ccsc1)c1cccs1 390827256 VMSUHXYHHLGORR-MRXNPFEDSA-N 349.502 4.019 0 40 EIAB Cc1cccnc1N(C)C(=O)c1ccc(Br)c(Cl)c1 390833817 NMAGMEBASSXJPX-UHFFFAOYSA-N 339.620 4.083 0 40 EIAB O=C(Sc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1 408598973 MPCNCLZSWLXHTD-UHFFFAOYSA-N 333.372 4.217 0 40 EIAB CCn1nc(C)c(CNc2ccc(-c3cn4ccccc4n3)cc2)c1C 1656865217 XSJKPCKRDDOHPU-UHFFFAOYSA-N 345.450 4.447 0 40 EIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 70098 AYNNISGPRVOKQV-LJQANCHMSA-N 334.375 4.055 0 40 EIAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 170191 YRDLEJGMSHDJOR-UHFFFAOYSA-N 341.763 4.221 0 40 EIAB O=C(Nc1ccccc1COC(=O)c1cccs1)c1cccs1 383280 CNNIHELGOYSCCK-UHFFFAOYSA-N 343.429 4.419 0 40 EIAB COc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 520848 DIHPUTLWMMEPHF-UHFFFAOYSA-N 329.359 4.493 0 40 EIAB Cc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 530192 AUDSDOLQSKUKIV-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB COc1cc(C(=O)Nc2ccccc2Cl)ccc1OC(F)F 2795451 BUOVWVCNEPQGLH-UHFFFAOYSA-N 327.714 4.202 0 40 EIAB Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(F)cc2)c1Cl 3135095 OZIGZAXQXYDBAE-UHFFFAOYSA-N 344.773 4.237 0 40 EIAB CCC(C)(C)c1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1 3242096 SYSFFVIMEVYQTI-LJQANCHMSA-N 333.516 4.378 0 40 EIAB CC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 3403023 OEOLZMPQGQRYBH-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(C)cs1 3413839 IKZZKGTWHCZLGP-UHFFFAOYSA-N 342.873 4.153 0 40 EIAB COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1 3601611 HQSWYFDUQNSROH-UHFFFAOYSA-N 343.423 4.019 0 40 EIAB O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1 4057939 XBEBONAQLXUAGH-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB CC(C)c1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 4487501 MPIATUGRDCNLJS-UHFFFAOYSA-N 330.457 4.186 0 40 EIAB Cc1cc(O)c(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)cc1C 5343144 HBVSKWWDDFMTJC-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1C 5400685 CHYYVTIFHMYUFT-CYBMUJFWSA-N 341.480 4.471 0 40 EIAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccccc2Cl)n1 5576725 RFAXSNIDUGVBRK-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)c(Cl)c1 7253437 ZFHMEMKFLAKZOX-UHFFFAOYSA-N 335.860 4.094 0 40 EIAB COc1cccc(C(=O)Nc2ccc(Cl)c3ncsc23)c1OC 7598999 MHEHQEZFAHYNSA-UHFFFAOYSA-N 348.811 4.219 0 40 EIAB O=C(CNc1cccc(Br)c1)Nc1ccc(Cl)cc1 7953239 DYJUVUOCXYXBST-UHFFFAOYSA-N 339.620 4.153 0 40 EIAB COc1ccccc1CNC(=O)CSc1ccc2ccccc2c1 8115907 SSBDREFQTVUUCR-UHFFFAOYSA-N 337.444 4.257 0 40 EIAB CCCOc1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8717138 LIRBXLUFRVPDGJ-UHFFFAOYSA-N 328.456 4.414 0 40 EIAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2c1C(=O)CC(C)(C)C2 9531257 GEOBLJIDCKNJAU-ZDUSSCGKSA-N 325.408 4.234 0 40 EIAB COc1ccc2cc(CNC(=O)N[C@H]3CCCC[C@H]3C)ccc2c1 10370678 RIGPJOMAPARALN-KUHUBIRLSA-N 326.440 4.226 0 40 EIAB CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Cl)cc1 10423897 ADZHSJRZZZVHNM-CQSZACIVSA-N 347.871 4.478 0 40 EIAB COc1ccc(-c2cc(COC(=O)c3cc4ccccc4o3)on2)cc1 10614378 JPWMOGGSAXADSX-UHFFFAOYSA-N 349.342 4.453 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCc2sccc2C1 12216327 FEDWWYPNDXIQTO-UHFFFAOYSA-N 346.502 4.440 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12435503 TWOVTWYKZLWZTP-UHFFFAOYSA-N 338.407 4.076 0 40 EIAB Cc1cccc(N[C@H](c2ccc3ccccc3c2)P(=O)(O)O)c1 12523577 KXCAYIGWYCCKRL-SFHVURJKSA-N 327.320 4.437 0 40 EIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)cc1 12575073 YTJILCCPFZPZBS-PKOBYXMFSA-N 340.854 4.097 0 40 EIAB CC(C)OC(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 12789156 VBNQYZGIYDECJE-UHFFFAOYSA-N 331.437 4.275 0 40 EIAB Cc1c(Cl)cccc1NCC(=O)N1CCSc2ccccc21 12899462 UOZKSYDDHJVHCG-UHFFFAOYSA-N 332.856 4.199 0 40 EIAB Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 12911489 SCHDWQWEVAKNJO-UHFFFAOYSA-N 346.312 4.051 0 40 EIAB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(N2CCCC2=O)c1 12986874 HIZLBGSCGCYJLP-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB Cc1ncc(COCc2ccccc2)c(CO)c1OCc1ccccc1 13283051 XDAGTQTURXXFRL-UHFFFAOYSA-N 349.430 4.178 0 40 EIAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(F)cc2F)cc1 14245286 YDYPQHCZKUMWCM-UHFFFAOYSA-N 341.361 4.024 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O 15614621 MNXZPXJGBMIJPD-FMIVXFBMSA-N 340.810 4.119 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OC 16029924 DCRXFPLGKLLCOO-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 19932105 SSZJFCYXHMQUOE-IAGOWNOFSA-N 341.451 4.265 0 40 EIAB CO[C@@H](C(=O)NCCSCc1cccc(Cl)c1)c1ccccc1 20238627 CGRGDSAYOZTENL-QGZVFWFLSA-N 349.883 4.077 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20489545 YRIJILJADLJFLG-UXHICEINSA-N 341.451 4.429 0 40 EIAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc(OC)c1 20494277 LYNLCBPIZJYPIO-AWEZNQCLSA-N 327.424 4.226 0 40 EIAB CN(C(=O)COc1ccc(F)cc1Cl)[C@@H]1CCCc2ccccc21 20675636 WRQHGRSMTAIMRA-QGZVFWFLSA-N 347.817 4.394 0 40 EIAB C[C@H]1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2S1 22192107 IMSZTGVBTHXQOP-IINYFYTJSA-N 330.280 4.488 0 40 EIAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1Cc1ccco1 25439237 BFDLSLYBRSDFAS-UHFFFAOYSA-N 330.334 4.277 0 40 EIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(-c2ccco2)on1 25712882 DHDRUGGGSOLJSO-INIZCTEOSA-N 339.395 4.031 0 40 EIAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2sccc2C)c1C 27922009 KDWJLNNFXMSWMY-UHFFFAOYSA-N 339.464 4.479 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nncc2ccccc12 32754626 SRODJKSHMBWKCK-UHFFFAOYSA-N 333.416 4.395 0 40 EIAB Cc1ccc2[nH]nc(C(=O)N[C@@H](c3ccccc3)c3cccs3)c2c1 32814941 GWVKEIMGZAKDFD-SFHVURJKSA-N 347.443 4.452 0 40 EIAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1C(F)(F)F 42090757 FEBMVVGJCDYQKT-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 44590370 NCMZQTLCXHGLOK-QPNVGHEYSA-N 330.468 4.450 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)N[C@H]1CCSc2ccccc21 45552114 USMNKRPVFNTAEV-HOTGVXAUSA-N 340.448 4.047 0 40 EIAB O=c1[nH]c(Cc2cccc(F)c2)nc2sc(-c3ccccc3)cc12 60476815 IKXXGSXMVXPBAJ-UHFFFAOYSA-N 336.391 4.382 0 40 EIAB C[C@H]1C(=O)CCN(CC(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 61931296 GIHFVUHAZSIUAO-NYHFZMIOSA-N 346.430 4.003 0 40 EIAB O=C(Nc1ccccc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 62580318 UWFLHTFSCYDGGX-GOSISDBHSA-N 348.368 4.080 0 40 EIAB Cc1csc(CCCNC(=O)Nc2ccccc2C(F)(F)F)n1 62639958 WEMHEDWDXHBCRG-UHFFFAOYSA-N 343.374 4.225 0 40 EIAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72218948 LHJLJAJXTWLTTG-KRWDZBQOSA-N 345.487 4.452 0 40 EIAB COc1cc(F)c(NC(=O)[C@]2(C)CCCc3ccccc32)cc1OC 72270521 SZWONFMLRMBYMS-HXUWFJFHSA-N 343.398 4.076 0 40 EIAB CCc1nccn1[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 75130996 JUWWYTDPYYHIST-QGZVFWFLSA-N 349.434 4.183 0 40 EIAB Cc1cc([C@@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)n[nH]1 78902543 SAWSHGZHFMYIBU-MRXNPFEDSA-N 345.874 4.100 0 40 EIAB CC(C)CCOc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 84510753 BIVOFBDUFRUWNO-UHFFFAOYSA-N 342.439 4.181 0 40 EIAB CNc1snc(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 89532623 VCXCOIFLDJSMFI-UHFFFAOYSA-N 344.484 4.126 0 40 EIAB COc1ccc2[nH]cc([C@@H](CN)c3cccc(C(F)(F)F)c3)c2c1 91690185 DRIYETNDXNERDA-HNNXBMFYSA-N 334.341 4.286 0 40 EIAB Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 96411152 ZWULMDXKCIEODN-XLWVJDPXSA-N 344.480 4.100 0 40 EIAB CCC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 100746162 OPDBPJWZYLLHKS-LLVIPDDGSA-N 344.451 4.141 0 40 EIAB C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@@]32CN1C 118936473 PBPLSRQRDBOFMK-WZSQOYIHSA-N 327.512 4.138 0 40 EIAB COc1ccccc1-c1nnc(-c2cc3cccc(OC)c3nc2C)o1 216610523 RKXTZSKERGTUEY-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB O=C(COc1cccc(Cl)c1)NCc1cccc2ccccc12 222891191 PKNCTDJOZQYUSF-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1C 224255631 TXEOJZUMHPOVNC-MOPGFXCFSA-N 349.459 4.469 0 40 EIAB CCCOc1ccccc1CCCNC(=O)Cc1ccc(CC)cc1 224963423 SFAIPMHZUBHZNQ-UHFFFAOYSA-N 339.479 4.329 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC[C@H](C)c1ccccc1 225134106 CTOVXEOURMQADO-IRXDYDNUSA-N 337.463 4.253 0 40 EIAB COc1ccc(SCCCNC(=S)Nc2cccc(C)c2)cc1 225802139 ZZPNMYHEYIGNTI-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB CCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C(F)(F)F 225835383 PHSGSSDZQNBFDW-MRXNPFEDSA-N 345.361 4.248 0 40 EIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(Cc1c(Cl)cccc1Cl)C2=O 226864076 QSGVHWVYJSSOHR-APPDUMDISA-N 340.250 4.305 0 40 EIAB O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 245237853 ZKECQDSQCJMSJV-STQMWFEESA-N 341.282 4.444 0 40 EIAB CC(C)(Oc1ccc(F)cc1)c1nc(-c2ccc3nc[nH]c3c2)no1 574001010 POICUNGUXSTJLU-UHFFFAOYSA-N 338.342 4.066 0 40 EIAB CC(C)Oc1ccc(-c2[nH]c(C=O)nc2Br)cc1Cl 1857794935 XNUGCJYFGBWVAJ-UHFFFAOYSA-N 343.608 4.092 0 40 EIAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)OC)cc12 1889149108 KMHNXMOQURJQHH-UHFFFAOYSA-N 325.339 4.226 0 40 EIAB CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21 148162 SLQHQVFFRBRAIJ-UHFFFAOYSA-N 342.464 4.494 0 40 EIAB C[C@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2c2ccc(Cl)cc21 209297 PYHHWEGRVRNGQT-VFZGTOFNSA-N 327.767 4.247 0 40 EIAB biogenic Cn1c(SCc2cccc3ccccc23)nnc1-c1ccccn1 531650 DZXRIESUZAVBKG-UHFFFAOYSA-N 332.432 4.323 0 40 EIAB COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(F)cc2s1 1262253 CVPKFQYDKVHCSJ-UHFFFAOYSA-N 336.775 4.350 0 40 EIAB Fc1cccc(CSc2ncnc3c2ncn3[C@@H]2CCCS2)c1 2044460 CVZOCYIRMVPLHT-ZDUSSCGKSA-N 346.456 4.283 0 40 EIAB in-vitro O=C(Nc1nccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2625004 ZYWFNNSVXIXQHC-UHFFFAOYSA-N 340.248 4.433 0 40 EIAB CCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1 3275594 WSJVHMSKYCWPOW-UHFFFAOYSA-N 342.489 4.437 0 40 EIAB Cc1cc(C)c(C(=O)COC(=O)c2c(F)cccc2Cl)cc1C 3382586 RMFVQBZZRSEJKK-UHFFFAOYSA-N 334.774 4.444 0 40 EIAB O=C(CSc1nc2ccccc2s1)Nc1cc(F)ccc1F 3503854 ZGNISPGAMFSVSU-UHFFFAOYSA-N 336.388 4.305 0 40 EIAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4882477 ZXAVIVIOAORLJP-ZXFUBFMLSA-N 333.863 4.009 0 40 EIAB CCc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928737 YALIORSBNKWBKK-FQEVSTJZSA-N 331.419 4.339 0 40 EIAB Cc1csc(SCc2cc3c(cc2Br)OCO3)n1 4961433 KJZKBKSFYLACKS-UHFFFAOYSA-N 344.255 4.235 0 40 EIAB C=C1C[C@@H]2[C@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 5383437 JKPFAFOFFYRBDB-WQMAJOMYSA-N 342.479 4.005 0 40 EIAB CCS(=O)(=O)c1ccc(-c2csc(C)n2)c(Cl)c1Cl 5718949 YVSCQUNIRFMTQG-UHFFFAOYSA-N 336.265 4.219 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)COc1cccc2cccnc12 6128037 HJRRJMYBQRWJAO-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB CCCCCC(=O)Nc1cccc(Cl)c1N1CCN(CC)CC1 6417578 AZYREZUHHAFUIJ-UHFFFAOYSA-N 337.895 4.001 0 40 EIAB Cc1ccn2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)nc2c1 6653475 NRBOKRMOXRCPQE-UHFFFAOYSA-N 335.190 4.307 0 40 EIAB Cc1nc2ccc(NC(=O)COc3ccc4c(c3)CCC4)cc2s1 6832391 YCWVMYWFLXJJIX-UHFFFAOYSA-N 338.432 4.111 0 40 EIAB COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 7056413 NBTHAVFJPCCUCQ-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CCc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 7988085 YNIILDUCIQXXHN-UHFFFAOYSA-N 341.820 4.360 0 40 EIAB COc1ccc(CN(C)CC(=O)Nc2ccc(C(C)C)cc2)cc1F 8130895 GPALRXPYUUVPBI-UHFFFAOYSA-N 344.430 4.028 0 40 EIAB CC[C@@]1(c2ccccc2)NC(=O)N([C@@H](C)c2ccccc2Cl)C1=O 8187398 WITLVFKLGVTDPQ-DJJJIMSYSA-N 342.826 4.258 0 40 EIAB C[S@@](=O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl 8490445 POURLHWPIAISRS-NRFANRHFSA-N 343.231 4.088 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1cccn1C 8723659 QRSBEGZJEAHYSN-HNAYVOBHSA-N 335.451 4.223 0 40 EIAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCCCC2)cc1 9479161 ZDLWHGNLNPUXDX-UHFFFAOYSA-N 338.451 4.242 0 40 EIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccccc1F 11960356 BASSVMGWBRUYGL-VOTSOKGWSA-N 336.746 4.165 0 40 EIAB Cc1c(C(=O)N2CCC[C@@H]2[C@@H](O)c2cccs2)oc2ccccc12 12183109 RXUHMLFHCXMXMH-RHSMWYFYSA-N 341.432 4.141 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCc2sccc2C1 12216426 DSGHYJCDDOIXPB-UHFFFAOYSA-N 334.444 4.317 0 40 EIAB COc1cc(CNc2ncnc3sc(-c4ccccc4)cc23)ccn1 12558661 SLEIBJHDWYRYRJ-UHFFFAOYSA-N 348.431 4.374 0 40 EIAB O=c1cc(Oc2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cn12 12736813 VZQKZBGQDSIXDT-UHFFFAOYSA-N 341.581 4.447 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(F)c(F)c1F 12820929 AEYZUZUJTSILEW-UHFFFAOYSA-N 346.308 4.249 0 40 EIAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1 12872596 ARCYTGOXKPWERF-MRXNPFEDSA-N 335.856 4.174 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 14094078 XPJUKBPWBHKOEI-SECBINFHSA-N 341.841 4.187 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 14400886 UENICCVHEDMFHC-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB CCCOc1c(Cl)cc(C(=O)NCc2ccco2)cc1OCC 16020876 VGDYXZNRROPCDA-UHFFFAOYSA-N 337.803 4.051 0 40 EIAB CCc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1 16975681 XJDKJZANSXIJMW-UHFFFAOYSA-N 331.379 4.173 0 40 EIAB COc1ccc(-c2cc([C@H]3CCN(CCc4ccccc4)C3)[nH]n2)cc1 19557931 MMDVDXDLOIXJKP-IBGZPJMESA-N 347.462 4.117 0 40 EIAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(OC)cc1 21836740 WLESWYGHOJYDQF-SFHVURJKSA-N 347.842 4.303 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SC)c(Cl)c1 22531250 PFRZDJOYZVWCEV-UHFFFAOYSA-N 349.839 4.491 0 40 EIAB COc1ccc(C)cc1NC(=O)CSCCOc1cccc(C)c1 23412403 IZXSTCWKTVLKKO-UHFFFAOYSA-N 345.464 4.063 0 40 EIAB Cc1cc2cc(NC(=O)c3cccc(NC(=O)[C@H]4C[C@@H]4C)c3)ccc2[nH]1 25129489 YJZQDEQZESLUFT-SGTLLEGYSA-N 347.418 4.323 0 40 EIAB CC[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1OC(F)F 27358824 OIPYHPRJZHAZJJ-CQSZACIVSA-N 341.304 4.447 0 40 EIAB C[C@H](C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)n1cccn1 28246981 QBBPBDVYBCCQJB-CYBMUJFWSA-N 348.431 4.360 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 28871472 OHIFLIAJJQBKAS-AWEZNQCLSA-N 340.423 4.020 0 40 EIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSc1ccccc1 30862460 DBJCTYZOCCRUEM-INIZCTEOSA-N 343.492 4.486 0 40 EIAB COc1ccc(C)cc1CC(=O)N1CC[C@@H](C)Sc2ccccc21 32845025 LHEVJNSEBFXQBP-OAHLLOKOSA-N 341.476 4.464 0 40 EIAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC 32930100 RFMWMJYRECMXMO-GFCCVEGCSA-N 333.815 4.157 0 40 EIAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(F)c1 40121704 WWWLIVORFXEXIM-XHDPSFHLSA-N 328.815 4.196 0 40 EIAB Cc1c(C(=O)N2CCC[C@H]2c2cccs2)oc2c1C(=O)CCC2 42385599 DJGMUSJTFOUKPA-LBPRGKRZSA-N 329.421 4.146 0 40 EIAB Brc1cc(-c2ccccc2)ccc1OC[C@H]1CCNC1 42770543 KKYGNSLNSGKEJU-ZDUSSCGKSA-N 332.241 4.104 0 40 EIAB Brc1ccc(OCC2CCNCC2)c(-c2ccccc2)c1 42774908 HWENOMGOSLMMFN-UHFFFAOYSA-N 346.268 4.495 0 40 EIAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H]2c2ccsc2)n1 44940787 RZBZXUBOOQNDML-CQSZACIVSA-N 347.484 4.115 0 40 EIAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12 48463846 CCELYGPUOJLGKQ-OAHLLOKOSA-N 336.435 4.375 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccc(C(F)(F)F)cc1)CC(O)=N2 49546527 ZJJYIVPNFYAKTH-VIFPVBQESA-N 327.331 4.327 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)CSCc2ccccc2)cc1 52915628 HWUFGEBUQHEHDW-LJQANCHMSA-N 341.476 4.292 0 40 EIAB C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 58222753 YLWREEXYJAYJAH-LIRRHRJNSA-N 327.399 4.389 0 40 EIAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccc2oc(=O)ccc2c1 65614618 XNKVXDZURZAMRZ-LLVKDONJSA-N 328.393 4.079 0 40 EIAB CCOc1ccccc1C[S@@](=O)Cc1ncc(-c2ccccc2)o1 69705088 JVMWQAZTMGQRMG-DEOSSOPVSA-N 341.432 4.189 0 40 EIAB O=C([C@@H]1CC=CCC1)N(CCc1cccs1)Cc1cccnc1 75170157 OBRJFOUEFWWQIO-QGZVFWFLSA-N 326.465 4.071 0 40 EIAB Cc1nc(CN(C)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cs1 79121989 MKEHTNDNKFLVBR-ZDUSSCGKSA-N 347.484 4.141 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](CNc2ccccc2C(F)(F)F)C1 89223595 SDGOCRMKEGPFHU-GFCCVEGCSA-N 344.377 4.374 0 40 EIAB COCCC1(CNC(=O)Nc2ccccc2CC(F)(F)F)CCC1 89410123 YICGROUTLONORC-UHFFFAOYSA-N 344.377 4.120 0 40 EIAB CC(C)c1cc(NC(=O)N(Cc2cccnc2)Cc2ccco2)no1 93262852 IYBMLFDEPZZOJL-UHFFFAOYSA-N 340.383 4.020 0 40 EIAB c1ccc(-c2noc(NCc3ccccc3CN3CCCCC3)n2)cc1 95393762 IVZLVBAUBMCORA-UHFFFAOYSA-N 348.450 4.335 0 40 EIAB CC(=O)N(Cc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1)C(C)C 95429196 MJBIKXWFFKXVEB-UHFFFAOYSA-N 342.487 4.076 0 40 EIAB Cc1noc(-c2ccccc2)c1C(=O)N[C@@H](C)Cc1ccccc1F 96011186 MWTFXXJTKXXLBB-ZDUSSCGKSA-N 338.382 4.150 0 40 EIAB CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccc(C)s1 96104721 DSYKMGQVGCYXFM-AWEZNQCLSA-N 349.521 4.434 0 40 EIAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@@H]2C1 100744408 FASWWPQUJBMJRU-UIAACRFSSA-N 349.430 4.191 0 40 EIAB C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)c1ccccc1 101159923 CGZUGJGJUVSIIS-JFJYTDJESA-N 349.474 4.189 0 40 EIAB Fc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 102568519 ZEINYODGJMZVMN-INIZCTEOSA-N 326.762 4.127 0 40 EIAB CCCN(CCC)C[C@@H](O)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104488991 DSDLSTPXWGGGJD-JPLJXNOCSA-N 325.537 4.091 0 40 EIAB CO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccccc1Cl 206850145 WFMNXKPADCMHLR-OAHLLOKOSA-N 346.839 4.067 0 40 EIAB CSc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223430175 GMBWUYQLHNSPEO-OAHLLOKOSA-N 349.521 4.373 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 223516209 GYIWNZZBYUEZCW-CQSZACIVSA-N 331.843 4.245 0 40 EIAB COc1ccc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc2c1 224584605 BUQICHOCUWWRDQ-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)OCc1ccccc1 225084574 MZPNKGFNJHXYKU-CQSZACIVSA-N 325.191 4.206 0 40 EIAB CCOc1ccccc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225105322 MIOSVVSXRGOTBT-HXUWFJFHSA-N 336.387 4.313 0 40 EIAB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(C(C)(C)C)cc1 225409400 AXXAAVNJGCYDEH-ZDUSSCGKSA-N 343.496 4.435 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ncccc1C 225680202 LVHRFSQXRMIDBH-OAHLLOKOSA-N 341.480 4.287 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCCC[C@@H]1C 226329930 KTLXXCNJKKJCSX-AWEZNQCLSA-N 341.430 4.347 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(N)c1 226348047 NERZJVPODTUILN-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB O[C@@H](CN1CCCCC1)C12C[C@H]3C[C@@H](CC(c4ccccc4)(C3)C1)C2 226656816 FAPURBNBNPMIEX-GBTNCPNMSA-N 339.523 4.371 0 40 EIAB Cc1nc(N2[C@H](C)CCC[C@H]2C)nc2c1C(=O)C[C@H](c1ccco1)C2 253575278 UKJNCXUBFUMRBM-UMVBOHGHSA-N 339.439 4.058 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257295152 QXEQBWXTJVQDGI-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1Cl 575610039 JCRJKTYQKPRKBQ-CQSZACIVSA-N 347.823 4.125 0 40 EIAB CCOC(=O)c1cnc(Cl)nc1Nc1cccc(C(F)(F)F)c1 1542984507 PTCWXLQRYWZZJA-UHFFFAOYSA-N 345.708 4.069 0 40 EIAB COc1ccc2[nH]c(CN3CCC[C@@H](c4nccs4)C3)cc2c1 2037845452 DQIXFXNLOMLSSO-CYBMUJFWSA-N 327.453 4.013 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N(C)C)c1 78756 AXHOPEPBEFSVMB-UHFFFAOYSA-N 326.440 4.202 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 139503 MALPURSECXROCY-UHFFFAOYSA-N 333.218 4.447 0 40 EIAB COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1Cl 178762 ZOMVBQAGWBTHHP-UHFFFAOYSA-N 337.762 4.302 0 40 EIAB Cc1cccc(C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl 304568 MKSLVQLOZVWBQL-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB C/C(=C\c1ccccc1)CN1CCC(C(=O)N2CCC(C)CC2)CC1 317711 QYZBCJYLCZHUKA-KNTRCKAVSA-N 340.511 4.060 0 40 EIAB CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C 410495 NYMCZQMSEFYSMW-UHFFFAOYSA-N 346.500 4.159 0 40 EIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)c(F)c1)CO3 2114645 FKIFOWLCJDYVAR-UHFFFAOYSA-N 343.329 4.045 0 40 EIAB biogenic Cc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(Cl)c1)C3 2120319 DTLNCFBOJHENOK-UHFFFAOYSA-N 327.767 4.111 0 40 EIAB biogenic COc1ccc(OCCSc2nc(C)nc3ccccc23)cc1 2503572 RPGZZXUOBIAJNE-UHFFFAOYSA-N 326.421 4.118 0 40 EIAB OCc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(Cl)cc1 2541922 JXAPAAVDZYMOGJ-UHFFFAOYSA-N 337.181 4.478 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCCC1 3207159 YWYIJPAYNZMWDV-DYVFJYSZSA-N 347.459 4.234 0 40 EIAB COc1cccc(/C=C/C(=O)OCc2cccc(Cl)c2)c1OC 3319651 GDWLZQNAIJDKBU-MDZDMXLPSA-N 332.783 4.114 0 40 EIAB Cc1ccccc1CSCC(=O)N[C@H]1CCCc2ccccc21 3601179 HKVUWOXABINATD-IBGZPJMESA-N 325.477 4.422 0 40 EIAB O=C(CCSc1ccccc1)Nc1nc(-c2ccccn2)cs1 4059124 RBNWPHSYWNJGBC-UHFFFAOYSA-N 341.461 4.326 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 4083909 USGKSIJYOHEDEV-TXTPUJOMSA-N 330.468 4.261 0 40 EIAB biogenic Cc1cc2cc3c(cc2nc1SCC(=O)c1cccs1)OCO3 4171245 GNJVHRRGHKLPHT-UHFFFAOYSA-N 343.429 4.308 0 40 EIAB Cc1ccc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1 4477443 YMGUSEKEEOELRT-QFIPXVFZSA-N 344.414 4.115 0 40 EIAB CCCNC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 4861861 UQCTUTCXGXEFND-UHFFFAOYSA-N 344.528 4.025 0 40 EIAB Cc1ccc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2n1 5198637 OOFQCKVITCGVMF-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 5439858 XOBPZWZTWMEJHE-UHFFFAOYSA-N 336.435 4.363 0 40 EIAB CCc1ccc(Nc2nnc(SCc3cc(C)on3)s2)cc1 5702404 HPZWVJSUECGBNY-UHFFFAOYSA-N 332.454 4.433 0 40 EIAB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 7468226 FNYITAHHBDDHJG-UHFFFAOYSA-N 334.375 4.045 0 40 EIAB Fc1ccc(-c2csc3ncnc(NC[C@H]4CCCO4)c23)cc1 8079119 QKSMYGGENJBYJW-CYBMUJFWSA-N 329.400 4.088 0 40 EIAB Cc1csc(Cc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)n1 8298585 NEEMRKABEMGCHF-SNVBAGLBSA-N 341.461 4.221 0 40 EIAB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 11538801 RCGKRXHQUNWRQJ-WJXUGBSRSA-N 343.810 4.349 0 40 EIAB Cc1ccc(OC[C@@H](O)CSc2ccccn2)c(C(C)(C)C)c1 11692579 GLNXCSFNGJPTTM-OAHLLOKOSA-N 331.481 4.220 0 40 EIAB Cc1nc(NC(=O)c2ccsc2)sc1-c1nccn1C(F)F 12824423 FISFVCFIVBKDIV-UHFFFAOYSA-N 340.380 4.024 0 40 EIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccnc1 12922807 XHSIBASGENZJCV-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB CCCCOc1cc(Br)c(/C=C/C(=O)O)cc1OCC 13747614 QBGQVAGGIUFQPS-VOTSOKGWSA-N 343.217 4.125 0 40 EIAB CCOc1ccc(CNC(=S)Nc2ccc(F)cc2)cc1OCC 13754891 DOKUZNBUTBFOFZ-UHFFFAOYSA-N 348.443 4.110 0 40 EIAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cccnc1 15826870 GBWMAKMHHVWDQI-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](c1cccs1)C2 17066754 UCNIIZIFBLBHBR-LBPRGKRZSA-N 326.396 4.294 0 40 EIAB Cc1nc(N2C[C@H](C)O[C@H](C)C2)c2c(-c3ccccc3)csc2n1 17862988 HVGORPLHJIVSKN-BETUJISGSA-N 339.464 4.280 0 40 EIAB Cc1noc(C)c1CC(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1 19580445 VXXLEWXDVMCDIH-SNVBAGLBSA-N 332.787 4.111 0 40 EIAB Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 19736342 SEEIQZQZELWCIO-AWEZNQCLSA-N 326.440 4.281 0 40 EIAB CCCCCC[C@H](C)NC(=O)CC(C)(C)CC(=O)N1CCCCC1 19809289 OWHHFWNTISOICI-KRWDZBQOSA-N 338.536 4.280 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 20104847 PSDGQJSENYSDHK-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB CCc1noc(C)c1C(=O)OCc1csc(-c2cccs2)n1 24090889 PQZVBPFZJGMKHF-UHFFFAOYSA-N 334.422 4.087 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 24961507 NKXXOOKPMKKKLZ-UHFFFAOYSA-N 345.761 4.130 0 40 EIAB O=C(c1c(F)cccc1F)N(Cc1cccc2[nH]ccc12)C1CC1 32100159 IPUORZJVAAGRHS-UHFFFAOYSA-N 326.346 4.251 0 40 EIAB C[C@@H]1CCC[C@H](NC(=O)c2cccnc2SCC(F)(F)F)[C@@H]1C 32908543 DPLXMHAMUMQAIC-WZRBSPASSA-N 346.418 4.291 0 40 EIAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C2=COCCO2)cc1 32996174 RUJQNMSHRFSNGW-UHFFFAOYSA-N 345.782 4.267 0 40 EIAB C[C@H](NCc1ccccc1OCC(=O)NC1CCCCC1)C(C)(C)C 36612539 IWQNOTGGLMLYRN-INIZCTEOSA-N 346.515 4.039 0 40 EIAB CCc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1 38703732 OBJUSMUPYSHAJV-UHFFFAOYSA-N 341.798 4.250 0 40 EIAB COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCCC(C)C 40159877 IVBFPQGZPWUKDZ-UHFFFAOYSA-N 325.836 4.010 0 40 EIAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccc(Cl)s2)n1 44939454 LDFRPANPVSONEA-JTQLQIEISA-N 341.864 4.108 0 40 EIAB COc1ncccc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 47553638 LZUWXMRZLQSWBI-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB CN(Cc1csc(-c2ncccn2)n1)Cc1cccc2ccccc12 51993254 QMZXJXWZLFSABV-UHFFFAOYSA-N 346.459 4.385 0 40 EIAB CC(=O)c1c(F)cccc1NC1CCN(C(=O)C2CCCCC2)CC1 52072912 XWKVUDMGBOONTO-UHFFFAOYSA-N 346.446 4.012 0 40 EIAB Cc1cc2cc(NC(=O)COCc3ccccc3Cl)ccc2[nH]1 52589260 LOPIQSSRZGJCFI-UHFFFAOYSA-N 328.799 4.285 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccccn1 56520971 HVKNUIATBDXDSN-HNNXBMFYSA-N 335.329 4.469 0 40 EIAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl 60643199 QSOUTAUGWAKCNV-GOSISDBHSA-N 340.785 4.394 0 40 EIAB O=C(C1CC(c2ccccc2)C1)N1CCC([C@@H](O)c2ccccc2)CC1 71834649 USXCRHJTGVQJKL-HRTMPFAESA-N 349.474 4.152 0 40 EIAB Cc1cc(C)cc(CSc2nnc(NCC(F)(F)F)s2)c1 72048511 VPKDQNYFIRNZHM-UHFFFAOYSA-N 333.404 4.421 0 40 EIAB O=C1Oc2ccccc2/C1=C/c1ccc(OCc2cscn2)cc1 73768537 ZLDWHZUHCIVEMP-MFOYZWKCSA-N 335.384 4.182 0 40 EIAB Cc1cccc(C(C)(C)NC(=O)N[C@@H](c2nccs2)C2CC2)c1 74709165 HSKFXLOJXHCKNB-OAHLLOKOSA-N 329.469 4.137 0 40 EIAB Cc1nnc([C@@H]2Cc3ccccc3CN2C/C=C/c2ccc(F)cc2)o1 92355856 NZAAHWBYAOWZOL-SGSXCFNPSA-N 349.409 4.330 0 40 EIAB O=C(c1ccco1)N1CC[C@@H](c2ccn(CC3CC3)n2)c2ccccc21 96260803 KTLATBKNBUIKDN-MRXNPFEDSA-N 347.418 4.069 0 40 EIAB CCC1(CC)Oc2ccc(NC(=O)c3cccc(COC)c3)cc2O1 97105199 WYBSOVHCHWALCQ-UHFFFAOYSA-N 341.407 4.373 0 40 EIAB S=C(NCCc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 102226755 LMEBSJCOZBJHBT-WBIUFABUSA-N 343.323 4.189 0 40 EIAB CC(=O)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102293996 HCZOIDQJDZVMCY-CXTCDGGRSA-N 331.843 4.406 0 40 EIAB CCSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 102544296 WBPXHPJYPAAUDP-OAHLLOKOSA-N 344.415 4.201 0 40 EIAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102789492 YYDJJHKWQILILX-AHCXZYCDSA-N 342.483 4.114 0 40 EIAB O=C(NCCSC1CCCC1)c1ccc(N2CCCCC2)cc1 222663457 JASOAPGKOYHJFN-UHFFFAOYSA-N 332.513 4.083 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC(C)(C)Cc1ccccc1 223211790 ZRAKQLNOSUGBGX-IBGZPJMESA-N 325.452 4.290 0 40 EIAB CCOc1ccc(C(=O)NCc2cc(CC)ccc2CC)cc1C 223363649 IIKLKVHAIZRIIX-UHFFFAOYSA-N 325.452 4.449 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225118554 DCESVNGZGVLYNA-HXUWFJFHSA-N 336.387 4.232 0 40 EIAB COc1ccc(Cl)cc1C[C@H](Oc1cc(C)cc(C)c1)C(=O)O 225120480 MKOZFQPJWVXKPD-KRWDZBQOSA-N 334.799 4.040 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2Cl)cc1C 225442092 ZFTFKGUMAIQNSG-HNNXBMFYSA-N 331.843 4.083 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1 225864322 AJWQJWGHCRWDTK-KRWDZBQOSA-N 347.480 4.050 0 40 EIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 226301392 DGOYBGXXWSKNPS-RYUDHWBXSA-N 332.831 4.300 0 40 EIAB CCNC(=O)Nc1cccc(NC(=O)c2sccc2CC)c1C 279380273 UFZLPZAQVMHZEA-UHFFFAOYSA-N 331.441 4.013 0 40 EIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccc(O)c2)S1 408801405 SVMAFIFLSSUQPR-UHFFFAOYSA-N 345.831 4.117 0 40 EIAB O=C(/C=C/c1ccc2c(c1)OCO2)NC1(c2cccs2)CCCC1 575413768 ZERQIMKQZPXIFR-SOFGYWHQSA-N 341.432 4.076 0 40 EIAB C[C@@H](NC(=O)c1cccc2c3c([nH]c12)CCCC3)c1cncc(F)c1 679172984 ZODIBCUSYWCPSO-GFCCVEGCSA-N 337.398 4.072 0 40 EIAB C[C@@H]1C[C@H](Nc2nc(-c3ccnc(C(F)(F)F)c3)cs2)CCO1 1615044445 DUBWVTFDZVNMGK-MWLCHTKSSA-N 343.374 4.203 0 40 EIAB C[C@H]1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1 86408 QWBDZHAFOLPGSV-AWEZNQCLSA-N 325.437 4.212 0 40 EIAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC 1934629 VFKRYVVUTAFHRC-ZRDIBKRKSA-N 325.408 4.444 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(C2CC2)s1 3265517 PACMPKXBPROAAC-UHFFFAOYSA-N 339.873 4.190 0 40 EIAB O=C(CCOc1ccccc1)OCc1csc(-c2ccccc2)n1 3273445 QJUALNTWELLXBY-UHFFFAOYSA-N 339.416 4.322 0 40 EIAB CCCn1c(S[C@H](C)C(=O)Nc2nccs2)nc2ccccc21 3400594 SSOVDTQKYQJGST-LLVKDONJSA-N 346.481 4.022 0 40 EIAB COc1ccc2nc(NC(=O)/C=C/c3cccc(F)c3)sc2c1 3479349 DPTMIAFXSAOHKQ-VMPITWQZSA-N 328.368 4.096 0 40 EIAB O=C(NCc1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 4054802 AVPLZCIHZNMMPL-UHFFFAOYSA-N 344.336 4.426 0 40 EIAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(C)=O 4341983 ZSUWGICMVSFWTQ-UHFFFAOYSA-N 338.363 4.042 0 40 EIAB Cc1nc(-c2c(C(F)(F)F)oc3c(C)c(O)ccc3c2=O)cs1 5730085 IYZXZWFVYFTLCD-UHFFFAOYSA-N 341.310 4.258 0 40 EIAB COc1cccc(C(=O)N(Cc2cccc(F)c2)Cc2ccco2)c1 6747575 AJFSPAAPIWMRDB-UHFFFAOYSA-N 339.366 4.270 0 40 EIAB COc1ccc(NC(=O)c2ccccc2SC(C)C)cc1OC 8050069 APQJBEVLFGZHTN-UHFFFAOYSA-N 331.437 4.457 0 40 EIAB COc1ccnc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 8186314 ZSOWRAORUDJESE-KRWDZBQOSA-N 344.418 4.211 0 40 EIAB COc1ccc(Cl)cc1CSc1nnc(C2CC2)n1C1CC1 8257623 WYJAUFRVALPNMA-UHFFFAOYSA-N 335.860 4.445 0 40 EIAB C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1Cl 8535069 HBCVVNMSWITLTQ-GFCCVEGCSA-N 340.250 4.043 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1cc(Cl)c2c(c1)OCO2 8546731 QAEBQHLSGGAFHK-UHFFFAOYSA-N 347.779 4.035 0 40 EIAB CCOc1ccccc1CCCNC(=O)CSCc1ccccc1 10110865 IJNQBNUELQVFKX-UHFFFAOYSA-N 343.492 4.068 0 40 EIAB CC[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1 10405766 KJCWOQZOTLHTPH-CQSZACIVSA-N 328.803 4.094 0 40 EIAB COc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1Cl 11465771 ASSTWCSEMUJFCI-MRXNPFEDSA-N 333.840 4.313 0 40 EIAB CCn1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)n1 11738196 RZMDIBOFRXJULV-UHFFFAOYSA-N 341.223 4.072 0 40 EIAB Cc1nc2c(c(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)n1)CCC2 12016753 SWFPMWZOVYNCNR-JTQLQIEISA-N 347.871 4.046 0 40 EIAB COC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12232225 BFVNTZSRZWFXSH-UHFFFAOYSA-N 346.373 4.144 0 40 EIAB Fc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 12700041 PKFGXRPIBYFFTH-UHFFFAOYSA-N 327.340 4.309 0 40 EIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccs1 14142082 ZYVVNFRDRFSJNI-UHFFFAOYSA-N 345.342 4.044 0 40 EIAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccccc1)=C2 15838656 UIEBMMXVHLEOTF-UHFFFAOYSA-N 327.767 4.277 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCC2)o1 15860163 RUYUWYGAUKAFSA-QGZVFWFLSA-N 346.858 4.198 0 40 EIAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 16017233 GMWBUFBPWBFLLJ-UHFFFAOYSA-N 348.349 4.135 0 40 EIAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(Br)c1 20029686 WJPXCZVLOISWQY-SECBINFHSA-N 340.167 4.218 0 40 EIAB CCc1ccc(-n2[nH]c3c(c2=O)Cc2cc(Cl)ccc2O3)cc1 21774775 QCEYJCUXXYABBW-UHFFFAOYSA-N 326.783 4.078 0 40 EIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCC(C)CC1 22245391 QKJZTAMZBZZIAP-UHFFFAOYSA-N 329.469 4.092 0 40 EIAB Cc1cc(C(=O)COc2ccc(Br)cc2Cl)c(C)[nH]1 23447602 ADRXYIYBNICYIK-UHFFFAOYSA-N 342.620 4.309 0 40 EIAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 24451655 LTCSUYDVSNFABB-UHFFFAOYSA-N 339.410 4.178 0 40 EIAB CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1Cl 24484730 PVSOFFOZZUHZQK-YOEHRIQHSA-N 349.858 4.195 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)[C@H]1CCc2ccccc21 24837956 IMEJMDLWSAKNRI-KRWDZBQOSA-N 349.459 4.273 0 40 EIAB Cc1[nH]c2c(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cccc2c1C 24877343 CPQVATOQTBHQKT-UHFFFAOYSA-N 347.418 4.386 0 40 EIAB CC(C)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623052 PXPLZRZSYDTVOG-UHFFFAOYSA-N 325.343 4.137 0 40 EIAB O=C(NCCSc1ccc(Cl)cc1)N[C@@H]1CCc2ccccc21 32843823 NUHTYXXYCUSCMR-QGZVFWFLSA-N 346.883 4.419 0 40 EIAB C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 32845200 WPKUZMKFFPYSRP-UWVGGRQHSA-N 340.320 4.364 0 40 EIAB CC(C)n1ncc2cc(C(=O)N3CCC[C@H]3c3cccs3)cnc21 32868996 ZCOAXQVAYLBDIX-HNNXBMFYSA-N 340.452 4.051 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c2ncccc12 41157040 VASZMUPBQXDKHU-QGZVFWFLSA-N 338.382 4.478 0 40 EIAB CC(=O)Nc1cccc(NC(=O)CCCCC(=O)c2ccccc2)c1 48181346 LEVKZRFBQWNOTP-UHFFFAOYSA-N 338.407 4.027 0 40 EIAB COc1ccc2c(c1)CCCN2C(=O)c1cc2cc(C)ccc2nc1C 48299934 PTAYWJJKBCTAMU-UHFFFAOYSA-N 346.430 4.453 0 40 EIAB CC(C)OCc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 49133289 RVEKXFHAPZIGMA-UHFFFAOYSA-N 349.377 4.143 0 40 EIAB C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 56483103 SOJYKHLSICQEDA-XHDPSFHLSA-N 338.238 4.115 0 40 EIAB Cc1nc(S[C@@H](C)c2ccc(F)c(Cl)c2)sc1CC(N)=O 58160026 OQKKZROZLWKQIS-QMMMGPOBSA-N 344.864 4.125 0 40 EIAB Cc1cc(C)n2cc(CSc3nc(C)c(C)n3CC(C)C)nc2n1 58357906 OAXFAUMHTCAGPF-UHFFFAOYSA-N 343.500 4.108 0 40 EIAB O=C(OC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2)o1 58426457 XSBFKDLKNJAMBK-MRXNPFEDSA-N 349.386 4.344 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)NCCC1=CCCCC1 60570106 GSSWHHXACHPRKY-UHFFFAOYSA-N 327.346 4.091 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=O)CCSc1ccccc1 65875436 WMRADGZLGMERMU-MRXNPFEDSA-N 329.465 4.061 0 40 EIAB Fc1cccc(Cl)c1Cc1nnc(SC[C@H]2CCCCO2)o1 66257789 RZTZIOHFEALTPF-SNVBAGLBSA-N 342.823 4.114 0 40 EIAB CC(C)CCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 69416460 NJJQSJVXTXYQJF-OAHLLOKOSA-N 345.418 4.018 0 40 EIAB Cc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)o1 69570607 YUZLGQAQJSERFL-UHFFFAOYSA-N 346.814 4.120 0 40 EIAB CCOc1cccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)c1 72229458 SUGCSOVSZGSRMI-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB CN(Cc1cccs1)C(=O)c1nnsc1-c1ccc(Cl)cc1 72242890 WMIITONYEWCFEL-UHFFFAOYSA-N 349.868 4.192 0 40 EIAB Fc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2cccnc2)C1 72358573 CCPRSXXWEDPAIV-QGZVFWFLSA-N 348.425 4.057 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 75126389 JJVCSEVKQSGQDD-CQSZACIVSA-N 341.455 4.270 0 40 EIAB C[C@@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)c2ccccc21 77216073 DPFNGJCMYDIVTG-CYBMUJFWSA-N 335.432 4.299 0 40 EIAB O=C(Nc1cccc2c1OCCO2)N1CCC[C@H]1CC1CCCCC1 84358560 XVKUYZLNDVEGOY-INIZCTEOSA-N 344.455 4.425 0 40 EIAB CSc1ccccc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1 85471569 JYYGRDQDBZAJJA-UHFFFAOYSA-N 349.459 4.471 0 40 EIAB CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccccn1 95409949 CNNOFLIMJQRISO-KSSFIOAISA-N 327.428 4.307 0 40 EIAB CC(C)n1ccc(C(=O)Nc2ccc(NCC3CCCC3)cc2)n1 95959012 DJCBYHQKSMVWMB-UHFFFAOYSA-N 326.444 4.318 0 40 EIAB C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2o1 95993805 HWYYHOCLZNHQGK-LBPRGKRZSA-N 336.395 4.285 0 40 EIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccsc1 97992392 CBDYSQGHHSTTOG-XFFZJAGNSA-N 348.349 4.421 0 40 EIAB Cc1ccc2cccc(NC(=O)[C@]34CC[C@@](C)(C(=O)C3)C4(C)C)c2n1 100634994 NCGLJRQRWRTXEP-SFTDATJTSA-N 336.435 4.267 0 40 EIAB Cc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101014872 QGENJHYAICJEMU-HNNXBMFYSA-N 330.225 4.060 0 40 EIAB Cc1cccn(C(=O)C2CCCCC2)/c1=N/C(=O)C1CCCCC1 101962580 BLPJMMZOQFMVNH-DYTRJAOYSA-N 328.456 4.025 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 104269592 PFJIIIZGBHEFKC-GARJFASQSA-N 337.345 4.347 0 40 EIAB CC[C@@H]1CCCCN1c1nc(C)c2c(n1)C[C@@H](c1ccco1)CC2=O 216104557 OVIRSBSCAZKDNJ-HUUCEWRRSA-N 339.439 4.060 0 40 EIAB CCCOc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 223543941 DYVBJJAFPAGQQT-UHFFFAOYSA-N 349.430 4.437 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1cccc(Cl)c1 224485133 RSLKIJNAFHTDHZ-UHFFFAOYSA-N 347.842 4.456 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC1=CCCCC1 224602364 NEKZLYWRESYTQE-INIZCTEOSA-N 327.468 4.339 0 40 EIAB O=C(CCc1ccc(Cl)cc1)NCCSC1CCCCC1 225303491 BKFMUTPIDSLIBS-UHFFFAOYSA-N 325.905 4.455 0 40 EIAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)nc1 225308329 MOUQTCUPNQGTKF-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 225475135 QYEVRZBUKVLIBN-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB CCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCCCC1 225712210 FMAWQYQRIIFKAD-UHFFFAOYSA-N 325.836 4.417 0 40 EIAB Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2Cl)cc1 225774005 BGTRGORGPGKLDD-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB Cc1ccc(N(C)C(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1C 225862371 XDQBXYOPPFNDTB-HNNXBMFYSA-N 346.430 4.012 0 40 EIAB C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253596536 SLODIKZFXFILEX-ZIDVSRPDSA-N 332.484 4.341 0 40 EIAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCc3ccccc32)cc1 260408707 KDSSEBLOISMXHT-DZFGPLHGSA-N 346.474 4.168 0 40 EIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 390830246 JRQQSNIVYKXKLK-ZDUSSCGKSA-N 327.440 4.491 0 40 EIAB CC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1Cl 408905864 AFBGZKRBWHQHRS-UHFFFAOYSA-N 336.284 4.020 0 40 EIAB Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)cc(Cl)c1C(=O)O 573817532 WFBMFYUJULCRLC-INIZCTEOSA-N 346.810 4.319 0 40 EIAB Cc1ccncc1CNC(=O)c1ccc(OCC2CCCCC2)cc1 622649077 ZLAFNBFQUHYSBM-UHFFFAOYSA-N 338.451 4.279 0 40 EIAB Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCC2)c1C 387208 VFOXKDZDMIBSDF-UHFFFAOYSA-N 332.444 4.352 0 40 EIAB CCOc1cccc(-c2nn3c(-c4ccccc4C)nnc3s2)c1 526367 OQZGLNMBRNJSJI-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB Cc1cc(C)c(N2COc3ccc4c(C)cc(=O)oc4c3C2)c(C)c1 2122085 SPPKJSUIFLZTHO-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic CCc1cccc2c(C(=O)COC(=O)/C=C/c3cccs3)c[nH]c12 2640999 IYYKBVFPKRHENO-CMDGGOBGSA-N 339.416 4.231 0 40 EIAB CC(C)c1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 3647905 YNSJCHASNBUDHY-MRXNPFEDSA-N 326.421 4.448 0 40 EIAB O=C(O)CCCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 4655768 HQSRHKYRGYZSIP-UHFFFAOYSA-N 333.378 4.289 0 40 EIAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 5020221 FTBYVQFJHLESQB-INIZCTEOSA-N 327.815 4.343 0 40 EIAB CC[C@@H](C)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146425 RCNHTCASJQEGMU-LLVKDONJSA-N 347.871 4.173 0 40 EIAB CCc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1 5180039 IDHSJUIDCPNMMR-UHFFFAOYSA-N 347.374 4.279 0 40 EIAB Clc1cc2nc(-c3ccc(Br)cc3)cn2c(Cl)n1 5387497 OQJAMSZXGKFQKT-UHFFFAOYSA-N 343.011 4.466 0 40 EIAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 5519879 IURJXDRUVNGNGB-IUCZQLHXSA-N 332.484 4.101 0 40 EIAB biogenic COc1cccc2c1Oc1nc(-c3ccccc3F)nc(S)c1C2 6009498 SSKVQXLVGSAMIL-UHFFFAOYSA-N 340.379 4.277 0 40 EIAB CCOc1ccc(C(=O)CSc2ncnc3sccc23)cc1 6082887 VXEVILIYEQKUGS-UHFFFAOYSA-N 330.434 4.065 0 40 EIAB COc1cc(OC)c(OC)cc1/C=C1\Sc2ccccc2C1=O 6441139 SEMFHNCMHVPYMR-MFOYZWKCSA-N 328.389 4.042 0 40 EIAB CCc1ccc2c(CC(=O)NCCc3ccc(F)cc3)coc2c1 7345084 SEXNGXWMYLLKKM-UHFFFAOYSA-N 325.383 4.036 0 40 EIAB COc1ccc(CCNC(=S)N(Cc2ccccc2)C(C)C)cc1 7985589 YTNJWLGRKGXPPF-UHFFFAOYSA-N 342.508 4.023 0 40 EIAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN(C)C1CCCCC1 8717533 MQUWMVPALAZCSB-UHFFFAOYSA-N 327.472 4.079 0 40 EIAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl 11484755 QCMQNPMKKDZNEO-UHFFFAOYSA-N 348.233 4.232 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1ccc(C)cc1)c1ccccc1Cl 11915222 WCGISJPXWBLSRD-LJQANCHMSA-N 344.886 4.461 0 40 EIAB CC[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(F)cc1 12116885 QCBOKVPUEHWGKM-QGZVFWFLSA-N 337.398 4.405 0 40 EIAB Cc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 12858005 VLJGRXSWBNMUHB-UHFFFAOYSA-N 346.430 4.171 0 40 EIAB O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccccc12 13690535 VDOYEPPFAICTNJ-UHFFFAOYSA-N 349.409 4.011 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1OC 14018676 ZCDPJAMMABGONX-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1F 14244067 WDTZGLSLDUFCPV-MNOVXSKESA-N 339.769 4.263 0 40 EIAB O=C(Nc1cccc2ccccc12)c1ncn(-c2ccc(Cl)cc2)n1 17193687 JRAGXUJQNWVSQT-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB CCOc1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1 20046193 RAUDKGZXLDYTRO-UHFFFAOYSA-N 347.842 4.214 0 40 EIAB COc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1 20274388 ARZCSQAGILCZIX-UHFFFAOYSA-N 332.447 4.171 0 40 EIAB O=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1Br 20430666 KVFCFUFBAUJXGW-UHFFFAOYSA-N 327.128 4.371 0 40 EIAB Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)s1 21600144 CYOMRWFIPMYCLM-UHFFFAOYSA-N 331.828 4.207 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)NC[C@@H](C)c1ccccc1 22018172 NOCJMNFPWUQURV-KGLIPLIRSA-N 340.448 4.228 0 40 EIAB COc1cc(Cl)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1OC 22435392 UEHKFLNMAGPWFZ-CHWSQXEVSA-N 349.789 4.239 0 40 EIAB S=c1scnn1CN1CCCC[C@@H]1c1nc2ccccc2s1 24988820 NKWNJGRDKCKBER-GFCCVEGCSA-N 348.522 4.468 0 40 EIAB Cc1ccc([C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)C2CC2)cc1 25517918 SOWPHKFVWKBMAA-FQEVSTJZSA-N 336.435 4.032 0 40 EIAB O=C(CSc1nccn1-c1ccccc1)c1cc(F)ccc1F 26127863 YAWJFHNPFTXPCJ-UHFFFAOYSA-N 330.359 4.126 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 26295318 GPCQIZSFZDGULR-GXTWGEPZSA-N 332.341 4.088 0 40 EIAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl 30851847 KGLLJTKXFAJZHZ-UHFFFAOYSA-N 346.217 4.109 0 40 EIAB Cc1ccc(C(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)s1 32648400 JKYRZCKHAKXAEW-UHFFFAOYSA-N 334.391 4.097 0 40 EIAB CN(C(=O)c1cc(Cl)c(Cl)n1C)[C@@H]1CCCc2ccccc21 32968981 DQBQWBQDLZCDSR-CQSZACIVSA-N 337.250 4.482 0 40 EIAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 36635349 LRAQGNVQHHQBJH-HNNXBMFYSA-N 349.217 4.046 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1c[nH]c2ccccc12 38575525 FQDJSTDRPRJVCU-UHFFFAOYSA-N 338.754 4.124 0 40 EIAB COc1cc2nc(NC(=O)Nc3cccs3)sc2cc1OC 38671450 ISXGUCHJHXNLIN-UHFFFAOYSA-N 335.410 4.019 0 40 EIAB Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc(F)cc3)CC1)O2 39226868 ZNFPMJIAVHENEP-UHFFFAOYSA-N 339.410 4.134 0 40 EIAB c1ccc2c(CNCC3(N4CCCCC4)CCCCC3)c[nH]c2c1 39756483 UBVSRRXMJXOJEN-UHFFFAOYSA-N 325.500 4.446 0 40 EIAB Cn1ccnc1[C@@H](NCc1cccc(Cl)c1)c1cccc(F)c1 42203887 FJPXCCVTICJPIX-KRWDZBQOSA-N 329.806 4.092 0 40 EIAB O=C(NCc1cccs1)c1cc(-c2cccc3ccccc23)[nH]n1 44839307 YRTSREQVKJQBGZ-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB CCOc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1 45709100 OIWPTSFQBRAKQH-UHFFFAOYSA-N 344.480 4.359 0 40 EIAB Oc1ccc(-n2cnnc2)cc1-c1nc2cc(Cl)cc(Cl)c2o1 45920640 VEZYCSCITQRQDX-UHFFFAOYSA-N 347.161 4.088 0 40 EIAB Cc1cc(NC(=O)[C@@H](Sc2nc(C)c(C)o2)c2ccccc2)no1 47558916 PUKKXDSLKUZIRG-HNNXBMFYSA-N 343.408 4.060 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccn(-c3ccccc3)n2)c1 48234632 FNVAZEAZPXUBDV-UHFFFAOYSA-N 335.407 4.128 0 40 EIAB O=C(NCCOc1cccc2cccnc12)Nc1cccc(Cl)c1 59497712 KQFPODZXTNNJAV-UHFFFAOYSA-N 341.798 4.089 0 40 EIAB Cc1ccc(C)c(OCc2nnc(SCc3nc(C)c(C)o3)o2)c1 60533984 ZVWBZFWSYXMJHI-UHFFFAOYSA-N 345.424 4.163 0 40 EIAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC(C)C 65403072 QUPFJJCNSWPTCO-UHFFFAOYSA-N 328.359 4.276 0 40 EIAB CN(CCCn1c(=O)oc2ccccc21)Cc1ccc2ccccc2c1 65500393 OXUFKBPPCQZWPZ-UHFFFAOYSA-N 346.430 4.270 0 40 EIAB CCOc1ccccc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 71841892 XBIRNCUVMUCMQA-QZTJIDSGSA-N 339.435 4.188 0 40 EIAB CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2F)c1 71902612 MQQRXZKTGCRDIP-NEPJUHHUSA-N 334.366 4.111 0 40 EIAB COCCNc1ccccc1CNC(=O)Nc1cccc2ccccc12 72306218 TWGUVTTYDVOOIK-UHFFFAOYSA-N 349.434 4.220 0 40 EIAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1Cl 75171005 YTQAHPFRTPULFQ-UHFFFAOYSA-N 337.810 4.402 0 40 EIAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 83966693 LEUWUVYHBZQDSK-UKBAYJJMSA-N 343.467 4.132 0 40 EIAB Cc1ccc(O)c(CNc2cccc(Cn3ccnc3C(C)C)c2)n1 89626776 HANUNBRJSQSAQX-UHFFFAOYSA-N 336.439 4.076 0 40 EIAB Cc1ccc2c(C(F)(F)F)c(C(=O)O)c(Br)nc2c1 95101175 SUHJJWIBWXKKAF-UHFFFAOYSA-N 334.091 4.023 0 40 EIAB C[C@@H](NCCSc1ccccc1F)c1ccc([S@](C)=O)cc1 95422369 FPUVJCGXPANCRG-MCMMXHMISA-N 337.485 4.006 0 40 EIAB O=C([C@H]1CSc2ccccc21)N(Cc1ccco1)c1ccccn1 172329932 ZEHPAXOFOMKVEV-INIZCTEOSA-N 336.416 4.097 0 40 EIAB Cc1ccccc1NC(=O)NCc1ccc([C@@H](O)c2ccco2)s1 206688607 MTHUHKKWBNDDSD-KRWDZBQOSA-N 342.420 4.053 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccccc2F)cc1 222776820 QSOFYEJDPIEBDX-GOSISDBHSA-N 345.414 4.117 0 40 EIAB CCOc1cccc(NC(=S)NCCCc2cccc(OC)c2)c1 225554052 XKTLLOZCLOLLBK-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1 225704126 CBXDDTLMMSIZPC-IBGZPJMESA-N 337.460 4.026 0 40 EIAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)c2cccnc12 225899276 KYQBSTXADRFFMR-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB Cc1cc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)CC2)no1 257242805 IEEYEPZYJWCIOQ-INIZCTEOSA-N 349.434 4.016 0 40 EIAB Cc1ccccc1CSCC(=O)NCCSc1ccccc1 408876710 QHEUHLRXJNCCRP-UHFFFAOYSA-N 331.506 4.137 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)NC[C@H](c1ccsc1)c1ccco1 669463043 JGWBQGDBKIFFLC-WMLDXEAASA-N 341.432 4.057 0 40 EIAB C[C@@H](Oc1cccc(Br)c1)c1nnc(-c2ccoc2)o1 1117193939 WPDLFDAPUYGERD-SECBINFHSA-N 335.157 4.232 0 40 EIAB CCOC(=O)c1cn(CC2CCCCC2)c2cc(F)c(C)cc2c1=O 1889028742 KUIXWQVXELMGAA-UHFFFAOYSA-N 345.414 4.206 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc12 363822 OGSRJTHZLMAMKT-UHFFFAOYSA-N 338.359 4.108 0 40 EIAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cccc(F)c1 371098 VSZHUZKFABSEIV-UHFFFAOYSA-N 335.400 4.440 0 40 EIAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 532475 NGCAJKYLIFVFND-JKSUJKDBSA-N 340.814 4.086 0 40 EIAB CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 574428 VLWPKRVIBYUGQC-UHFFFAOYSA-N 327.424 4.400 0 40 EIAB COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 574429 FUUPHAPZBZNIBL-UHFFFAOYSA-N 333.387 4.380 0 40 EIAB Nc1nc(SCc2ccccc2)c2ncn(C3CCCCC3)c2n1 1687415 LUERHNAEJNCQPX-UHFFFAOYSA-N 339.468 4.206 0 40 EIAB CCOc1ccccc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2082077 RIWBDTMYMPHOAL-UHFFFAOYSA-N 331.240 4.033 0 40 EIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl 2636409 OEGLJUSABBZLNU-SNVBAGLBSA-N 342.247 4.133 0 40 EIAB CC(C)(C)c1csc(NC(=O)c2ccc(OC(F)F)cc2)n1 3528666 OVASKKGYCVIBBQ-UHFFFAOYSA-N 326.368 4.294 0 40 EIAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccccc1F 4167232 ZDJDQQJCEWNTJJ-UHFFFAOYSA-N 345.424 4.075 0 40 EIAB COc1ccc(-c2cc([C@@](C)(O)CCCC(C)(C)OC)on2)cc1 4344250 NQXHWNVRVJRDKU-IBGZPJMESA-N 333.428 4.153 0 40 EIAB FC(F)(F)c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 4487555 ASPJNZLKQDEHMN-UHFFFAOYSA-N 339.129 4.178 0 40 EIAB CCCCCOC(=O)NCCCCCCNC(=O)OCCCCC 4778118 WLDAUAQLYNYMIX-UHFFFAOYSA-N 344.496 4.380 0 40 EIAB Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(-c3ccccc3)c2c1 4942354 MPNKLIBDSNULSX-HZPDHXFCSA-N 333.435 4.219 0 40 EIAB O=C1CN2CC[C@H]1C/C2=C/c1ccnc2c(Cl)cc(Cl)cc12 4963780 NBRSVMAOMQHCGU-LEBPBNDJSA-N 333.218 4.177 0 40 EIAB CC1=C(C)[C@@H](c2cn(C)c3ccccc23)N(CCCOC(C)C)C1=O 6202309 JLVAZEHYZWDJKV-FQEVSTJZSA-N 340.467 4.213 0 40 EIAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccccc2)cc1 7275437 PSWKGROBCXUFLJ-UHFFFAOYSA-N 336.435 4.357 0 40 EIAB c1ccc(-c2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 7472327 KWUXLROVHUPULW-UHFFFAOYSA-N 334.404 4.419 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7790335 OTEASTVTUATDTC-XXWNAHEMSA-N 345.508 4.261 0 40 EIAB O=C(Nc1ccccc1Cl)c1ccc(Cl)c(N2CCCC2=O)c1 7908657 MICMJYMQYXGABN-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cn(C)c2ccccc12 8031745 YANCOAQUCJZLAR-UHFFFAOYSA-N 346.352 4.469 0 40 EIAB CC(C)c1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8406390 XGEABYIVVSSRPC-UHFFFAOYSA-N 336.479 4.336 0 40 EIAB CCc1cc2c(SCC(=O)NC3CCC(C)CC3)ncnc2s1 8429281 LUYIYVWYKQTGOM-UHFFFAOYSA-N 349.525 4.041 0 40 EIAB O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccccn1)C1CC1 8721223 XYRXULCCTNIZOA-UHFFFAOYSA-N 342.442 4.405 0 40 EIAB Cc1c2c(nc3ccccc13)-c1cc(Cl)ccc1S(=O)(=O)C2 8726064 LYGQDLPTUBRDDZ-UHFFFAOYSA-N 329.808 4.151 0 40 EIAB CC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 8762341 CDLNNJFXAVHSPV-UHFFFAOYSA-N 348.402 4.424 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccccc2Cl)c2c1[C@H](C)CC2=O 8923205 MJPFFDDSMXSJTC-GFCCVEGCSA-N 343.810 4.356 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(C(C)=O)c1 11637193 HWCNNDWYIGCRPC-IBGZPJMESA-N 325.408 4.302 0 40 EIAB O=C(COc1ccccc1)OCc1cc(-c2ccc(Cl)cc2)on1 12236685 APEBKNPSVQLPHI-UHFFFAOYSA-N 343.766 4.117 0 40 EIAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3F)cs2)cc1 12776655 QDUHQQPRWAKUGI-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB CCc1cccc2c(C(=O)CN3CCC[C@@H]3c3cccn3C)c[nH]c12 12795254 VZWUMMUTIDTFQE-LJQANCHMSA-N 335.451 4.089 0 40 EIAB O=C(O)c1ccc(Cl)c(NC(=O)C2(c3ccccc3)CCCC2)c1 13167884 IBSDUQFTGWNQJP-UHFFFAOYSA-N 343.810 4.489 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)CCc1ccccc1 13847374 AJLKPGVIAZYLOI-CRAIPNDOSA-N 329.415 4.121 0 40 EIAB CCCC[C@H](CC)CNC(=O)CCC(=O)NCCC1=CCCCC1 13943468 ZTCQQHABWFRBCK-KRWDZBQOSA-N 336.520 4.106 0 40 EIAB Cc1cnc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cn1 14095714 ICYDFQXTWNHUQR-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB Cc1cccc(NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 14240798 SGAUOWNFEDMXPI-UHFFFAOYSA-N 346.814 4.131 0 40 EIAB COc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 17779635 BFELKESZFHMHSF-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB Cc1ccc(C)c(SCC(=O)Nc2cccc3nsnc23)c1 19078551 QYSAVLIMTBLVMZ-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(C)c(F)c2)cc1 21599871 LIUOPGGQJJFTFQ-UHFFFAOYSA-N 337.398 4.194 0 40 EIAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccs1 23436534 PMRZRXVCVFKHFO-CYBMUJFWSA-N 327.449 4.077 0 40 EIAB CCc1c(C(=O)N[C@@H](C)CCC(C)C)cnn1-c1ccc(F)cc1 24757302 YREYKRKXUNGQPC-AWEZNQCLSA-N 331.435 4.128 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 29295584 OLEUIRIUMYKTLT-IBGZPJMESA-N 339.435 4.486 0 40 EIAB Cc1sc2nc(SC[C@H]3CC3(Cl)Cl)nc(N)c2c1C 31822702 IXBKREKJXWFBDW-SSDOTTSWSA-N 334.297 4.176 0 40 EIAB CN(C)c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 32736791 VZXCCUPHJLMZIH-UHFFFAOYSA-N 348.899 4.069 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 32802917 CRKRTCGKYSQMRO-TZMCWYRMSA-N 332.341 4.088 0 40 EIAB CC(C)c1cccc(NC(=O)COc2cccc3c2CCC[C@H]3O)c1 32858060 LLNDTPQKMKOIRW-LJQANCHMSA-N 339.435 4.197 0 40 EIAB Cc1cc(C)cc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)c1 32985318 ZYKGBZUMWLBGDX-UHFFFAOYSA-N 327.811 4.394 0 40 EIAB CC[C@@H]1CN(CCCc2ccc(COc3ccccc3)cc2)CCO1 38792279 RRLSRCWBXFIFHP-OAQYLSRUSA-N 339.479 4.309 0 40 EIAB biogenic Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39759219 ACNASAKXQUOOFZ-UHFFFAOYSA-N 336.479 4.463 0 40 EIAB COc1ccc(CN(C)C(=O)c2cc3c(s2)CCCC3)cc1F 39975534 SBHJHAOJYXPVNV-UHFFFAOYSA-N 333.428 4.047 0 40 EIAB COc1cccc(CCC(=O)Oc2cccc3ccccc23)c1OC 39976062 AJBGDNBOLLQVQN-UHFFFAOYSA-N 336.387 4.395 0 40 EIAB Cc1cc2ncn(CC(=O)N(C)Cc3ccc(Cl)s3)c2cc1C 40009959 JMCRGLMTMWKQHL-UHFFFAOYSA-N 347.871 4.027 0 40 EIAB Fc1cccc(C=C2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 40135324 DCZJFDWWWPGPMP-UHFFFAOYSA-N 337.320 4.318 0 40 EIAB O=C(O)/C=C/c1cc(Br)c(-c2cccc(Cl)c2)o1 40544693 XJTDBAKOVXHKSQ-SNAWJCMRSA-N 327.561 4.460 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1cccs1 43494254 USFLUXUEMDHEGJ-CQSZACIVSA-N 344.436 4.278 0 40 EIAB O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CC1 48302594 RRBGSZORDGZGGH-UHFFFAOYSA-N 347.402 4.191 0 40 EIAB O=C(NCc1ccoc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 58247569 NSJBHHVIDQXVHW-UHFFFAOYSA-N 337.341 4.427 0 40 EIAB CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 60479295 RYUNTATWLUFING-NSHDSACASA-N 340.448 4.175 0 40 EIAB CCC1CCC(N(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)CC1 67684659 DHQZWMRSVBFIID-UHFFFAOYSA-N 338.451 4.102 0 40 EIAB CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@H]1CCCc2ccccc21 68272072 GCDCXXPSVCQVFZ-SFHVURJKSA-N 347.462 4.074 0 40 EIAB CC(C)Cc1nnc([C@@H](C)N(C)Cc2nc3ccccc3s2)o1 69657665 MVLOBBVJMVBFEP-GFCCVEGCSA-N 330.457 4.071 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2cc(F)ccc2Cl)ccc1C 72282548 YXDOMUWMVJXHHI-UHFFFAOYSA-N 335.766 4.390 0 40 EIAB O=C(NCCC1=CCCCC1)c1cn[nH]c1-c1cccc(Cl)c1 72328838 ZZBMFNSPIVHMLJ-UHFFFAOYSA-N 329.831 4.350 0 40 EIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccsc1 79476247 BUGWEVQMFCTQCK-UHFFFAOYSA-N 337.360 4.137 0 40 EIAB COc1ccccc1C(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 84174768 NHJGDGFBNUNXDU-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB FC(F)(F)c1cccc(NC(=S)N[C@@H]2COc3ccccc32)c1 84579208 WDQAMTYMMFILPK-CYBMUJFWSA-N 338.354 4.126 0 40 EIAB CC(C)c1ocnc1C(=O)N(CC(F)F)c1cccc(Cl)c1 84806157 ABZWXAHDLPJBIU-UHFFFAOYSA-N 328.746 4.363 0 40 EIAB Cc1csc([C@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C2CC2)n1 86424502 ISMGKSAGPYIYAM-MLGOLLRUSA-N 345.468 4.431 0 40 EIAB C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 89894251 OBIJBSBNZJHLAJ-HZPDHXFCSA-N 340.423 4.104 0 40 EIAB CSCC[C@@H](N[C@@H](C)c1cccc(C)c1)c1nnc2ccccn12 95419563 KVQVFBJSCAZXGB-DOTOQJQBSA-N 340.496 4.183 0 40 EIAB Cc1cc([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)c(C)s1 95420646 BCZGASIJEYCCIV-OAHLLOKOSA-N 342.508 4.338 0 40 EIAB CC(C)(CCC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 95436001 USIFXYMTSBAUDG-SFHVURJKSA-N 325.456 4.221 0 40 EIAB Fc1ccc(Br)cc1CSC1=N[C@@H]2CCCC[C@H]2N1 95956238 KQYYUANLRDPNOY-CHWSQXEVSA-N 343.265 4.092 0 40 EIAB Cc1cc(C)cc(-c2ccc(CN(C)[C@@H](C)C[S@](C)=O)cc2)c1 97377105 LAHHCWBAVPALSR-GAJHUEQPSA-N 329.509 4.169 0 40 EIAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 100849979 KVEVOAGXFNQDAB-HNNXBMFYSA-N 349.217 4.046 0 40 EIAB CCCN(CCC)C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104488983 DSDLSTPXWGGGJD-GNBUJSLZSA-N 325.537 4.091 0 40 EIAB CC[C@H](C(=O)NC[C@H](OC)c1ccccc1Cl)c1ccccc1 206849715 ZEGAVYWLAAXUGM-YJBOKZPZSA-N 331.843 4.338 0 40 EIAB C[C@H](SCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 223411318 AWRDMZRPPWVNRO-AWEZNQCLSA-N 333.884 4.321 0 40 EIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224190128 FYERCDGDJMBPKP-ROUUACIJSA-N 335.432 4.160 0 40 EIAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COCC(C)C 224448065 ZCDLHOCSIUJSGE-UHFFFAOYSA-N 331.387 4.259 0 40 EIAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3F)o2)c1 224844974 AFSXYFJQVGUEEW-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB CCCNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 225428702 NXPVYPLGBUBHPT-UHFFFAOYSA-N 338.238 4.459 0 40 EIAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@H]1CC[C@@H]2O 253617523 SVLVKYHISIXPST-CLIDLRMUSA-N 332.484 4.401 0 40 EIAB Cc1cc(C=O)cc(C)c1OC(=O)c1ccc(Br)cc1 256049859 BTJHYYYXLTWWID-UHFFFAOYSA-N 333.181 4.098 0 40 EIAB O=C1CN(C(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc2N1 408613764 YACIXZLYAHJDJA-UHFFFAOYSA-N 342.354 4.185 0 40 EIAB CCOc1ccc(-n2c(C)nnc2SCc2cccc(F)c2)cc1 409099087 RWEXKBQDOHBZAN-UHFFFAOYSA-N 343.427 4.406 0 40 EIAB C[C@@H](NC[C@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 585134810 KOGXGQFSUDCGIM-APWZRJJASA-N 336.435 4.158 0 40 EIAB CCC[C@H](NC(=O)c1cc(O)nc(C(C)C)c1)c1ccc(F)cc1F 1518022417 FXPZILHYHCNKJH-INIZCTEOSA-N 348.393 4.460 0 40 EIAB O=C1N[C@H]2c3ccccc3O[C@@]3(CCCC[C@@H]23)N1Cc1cccs1 1615056986 CEYCXVFIXUTUCW-VDZJLULYSA-N 340.448 4.294 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 248368 GYODVXDTERASEQ-LJQANCHMSA-N 344.499 4.353 0 40 EIAB CCNc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 482400 DLPFPHPKWQBUQP-UHFFFAOYSA-N 333.387 4.311 0 40 EIAB CCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 556319 WBOPQLFSBRKWNO-UHFFFAOYSA-N 340.423 4.104 0 40 EIAB COCC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCC1 1367582 GNXXQGOGJFAGKW-UHFFFAOYSA-N 346.858 4.114 0 40 EIAB CCOC(=O)c1ccc(C(=O)CCc2cc(F)c(F)c(F)c2)cc1 2517846 XNQLYKVLADBXKV-UHFFFAOYSA-N 336.309 4.096 0 40 EIAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1 2583476 IGQRMCQSKDTFDV-MRXNPFEDSA-N 327.380 4.004 0 40 EIAB CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2c1S[C@@H](C)C2=O 3345015 WPUZCNVJKVJSLW-VIFPVBQESA-N 335.812 4.120 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1snnc1-c1ccccc1 4050399 LEWLRHDFYRXDBP-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB O=C(Cc1ccccc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479435 KTLKRDXATIGPRT-UHFFFAOYSA-N 348.189 4.225 0 40 EIAB Cc1cc2oc(=O)c(CC(=O)O)c(C)c2c2occ(C(C)(C)C)c12 4540389 DYVXSJJMPFUJLE-UHFFFAOYSA-N 328.364 4.081 0 40 EIAB CC1(C)C(=O)O[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C1=O 4751451 KFHURBGTJOGHMQ-JKSUJKDBSA-N 328.795 4.317 0 40 EIAB C[C@@H](NC(=O)C(C)(C)C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998170 IWZWKXPNVSQUCF-GFCCVEGCSA-N 329.444 4.257 0 40 EIAB Cc1nc(SCC(=O)NC2CCCCCC2)n(CC(C)C)c1C 5151945 WCMCNAQFPMEJJE-UHFFFAOYSA-N 337.533 4.087 0 40 EIAB Cc1c(C)n(-c2cccnc2)c2ncnc(Nc3ccc(F)cc3)c12 5345690 UZWNQEANMDNHFZ-UHFFFAOYSA-N 333.370 4.315 0 40 EIAB O=c1c2cc(Cl)ccc2nc(-c2ccc(Cl)c(Cl)c2)n1O 5427677 RVHODPVNGCJBGH-UHFFFAOYSA-N 341.581 4.261 0 40 EIAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccccc1F 5498208 JZNCFMJBLZBGCU-UHFFFAOYSA-N 334.350 4.478 0 40 EIAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2nc(C)c(-c3ccccc3)c2n1 5576344 DZDMZEUZRUVVJW-GJZGRUSLSA-N 334.467 4.495 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 6249000 KPRWXCJWJGGTHC-KRWDZBQOSA-N 338.451 4.391 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)c4cnccn4)cc3)sc2c1 6296322 PXAFNEDOMFHVPF-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 6703469 JXEUWCNKTHCZMY-UHFFFAOYSA-N 340.423 4.291 0 40 EIAB O=C(COCc1cc(-c2cccs2)on1)Nc1cccc(Cl)c1 6876495 OKENYPOIHSKAPM-UHFFFAOYSA-N 348.811 4.212 0 40 EIAB CC(C)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 7778736 GYNCBXHIPPPQJH-UHFFFAOYSA-N 338.436 4.263 0 40 EIAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccco1 8071858 DHCAPWCBRXLKKH-CMDGGOBGSA-N 336.347 4.085 0 40 EIAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccnc1Cl 9064360 ZTSYHRYQGBDZJF-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB COc1ccc(-c2cnn3c(-c4ccccc4)cc(C)nc23)cc1OC 9304026 UABSIYPJBZONTB-UHFFFAOYSA-N 345.402 4.389 0 40 EIAB COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(Cl)c1OC 9447809 KEFIMXFDUPXRBI-LBPRGKRZSA-N 333.815 4.190 0 40 EIAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H](C(F)(F)F)C1 9711414 KRNYJYZAMGDEBS-VIFPVBQESA-N 329.347 4.103 0 40 EIAB COc1cccc2c1N(C(=O)COc1ccccc1)C(C)(C)C=C2C 10157740 DHKMZTWRPSQOJF-UHFFFAOYSA-N 337.419 4.303 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCC2)cc1 10429752 IFSVVTMWMTYFIU-UHFFFAOYSA-N 346.430 4.458 0 40 EIAB O=C([C@@H]1CCCO1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185412 OIQBHQSYGAKNKZ-GJZGRUSLSA-N 346.452 4.026 0 40 EIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)c1ccccc1 12613413 WPPYEQYNMXTGNV-CQSZACIVSA-N 348.899 4.073 0 40 EIAB Cc1cc(C)cc(-n2nnnc2S[C@@H](C)c2ccc(F)cc2)c1 12730086 HUVHJERKPYOLFW-ZDUSSCGKSA-N 328.416 4.272 0 40 EIAB COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 13012206 DXCSRSIYVWMTJK-UHFFFAOYSA-N 343.854 4.477 0 40 EIAB CCn1nc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C 13703219 GDVLLZYNTZDYGK-UHFFFAOYSA-N 345.406 4.007 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)cc1 15540399 XKBSETNQHNTIHL-SFHVURJKSA-N 345.826 4.091 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 16101633 JVCZZDZRICKBJI-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 20110330 UATYKDVSFFKBGA-NEFAXPCMSA-N 327.468 4.156 0 40 EIAB COc1ccc(OC)c(NC(=O)c2ccccc2SC(C)C)c1 20612845 BLURFLVIPRYSGS-UHFFFAOYSA-N 331.437 4.457 0 40 EIAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3ccc(OC)cc3)nc21 21801440 LGUGCAKYMDWNTG-UHFFFAOYSA-N 349.438 4.172 0 40 EIAB CCN(C(=O)c1ccc(C(C)=O)s1)c1nc2ccccc2s1 23042186 JYXQFTVFNICVPT-UHFFFAOYSA-N 330.434 4.227 0 40 EIAB CCCCn1c(SCC(=O)Nc2ccccc2OC)nc(C)c1C 23362932 YZTQIGSGCLTUKZ-UHFFFAOYSA-N 347.484 4.039 0 40 EIAB Cc1cc(C)c(NC(=O)CN2CCC[C@H]2Cc2ccccc2)c(C)c1 25439529 SFWPHDJFEPINOG-FQEVSTJZSA-N 336.479 4.257 0 40 EIAB C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccn1 26184215 VUBBMOLOCAQSIO-IAQYHMDHSA-N 347.871 4.332 0 40 EIAB Cc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 27222450 FNHPKSWLKADVRY-OAQYLSRUSA-N 331.463 4.407 0 40 EIAB Cc1ccccc1OCCSCCC(=O)Nc1cccc(F)c1 32778670 QZJPFNOKBTUEND-UHFFFAOYSA-N 333.428 4.275 0 40 EIAB COc1ccccc1CNC(=O)c1[nH]c2ccc(C)cc2c1Cl 32913271 SAJDSTXEDBILJB-UHFFFAOYSA-N 328.799 4.068 0 40 EIAB CCCCN1C(=O)S/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 36636212 ILSSXWRKRPUEBO-XFXZXTDPSA-N 344.358 4.454 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cn1 40156220 FGJKONVADKRCAA-UHFFFAOYSA-N 329.831 4.286 0 40 EIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)Oc4ccccc43)no2)cc1 41155563 MAYMLYQJTIEQNY-AWEZNQCLSA-N 334.375 4.078 0 40 EIAB CCOc1cccc(CNC(=O)CSCc2cccc(Cl)c2)c1 44900202 AKQYFACHUZTIQD-UHFFFAOYSA-N 349.883 4.288 0 40 EIAB COc1ccc(OC)c(NC(=O)CCSc2ccc(C)cc2)c1 46082024 OLWIKDWACPMLDN-UHFFFAOYSA-N 331.437 4.133 0 40 EIAB Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cc2ccc(O)cc2)c1 56771209 CXGZNKKMPTUPET-JXFKEZNVSA-N 338.451 4.178 0 40 EIAB CSCc1cccc(C(=O)NC[C@@H](C(C)C)N2CCCCCC2)c1 58381743 PLJRFHYROOFNOV-IBGZPJMESA-N 348.556 4.180 0 40 EIAB Cc1cc(NC(=O)[C@@H](C)SCc2c(F)cccc2Cl)no1 71877682 ZOQYNJMZDUVIMN-SECBINFHSA-N 328.796 4.036 0 40 EIAB CCC(CC)(CC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)O 78938412 BPCNPIUFTZAURC-UHFFFAOYSA-N 342.395 4.094 0 40 EIAB Fc1cccc(CNC2CCC(NCc3cccc(F)c3)CC2)c1 79438613 ZKIVKTSINNIJIR-UHFFFAOYSA-N 330.422 4.155 0 40 EIAB C[S@](=O)c1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 80133668 JLDYSJZXIMBMHD-OYLFLEFRSA-N 346.452 4.166 0 40 EIAB COC(=O)[C@@]1(C)CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 89893479 LIDQKTMVGDEGAK-FQEVSTJZSA-N 346.471 4.350 0 40 EIAB C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOCC1 89894403 FSUFLMAMLOIWLS-CYBMUJFWSA-N 341.407 4.191 0 40 EIAB C[C@@H](OC(=O)Cc1ccc(F)cc1F)c1cnc2ccccc2c1 89904633 HXOVOWXVTMUUNU-GFCCVEGCSA-N 327.330 4.360 0 40 EIAB CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)sc2C1 89950011 UJUNZKSXDGBDCI-BPLDGKMQSA-N 341.480 4.185 0 40 EIAB Fc1ccc2oc(CSc3nnc(Cc4ccccc4)o3)nc2c1 95410567 SHOPRBBMGLYUBM-UHFFFAOYSA-N 341.367 4.233 0 40 EIAB CC(=O)c1ccc(O)c(NC(=O)c2ccc(Oc3cccnc3)cc2)c1 95465021 KKJYSJAPFWSNBT-UHFFFAOYSA-N 348.358 4.034 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)nc1 95955666 SVTNVXIMBOFZFS-UHFFFAOYSA-N 337.379 4.050 0 40 EIAB C[C@H](N[C@@H]1CCc2c(F)cc(Br)cc21)c1ccncc1 95967101 HASZEFNXAZPMFZ-MGPLVRAMSA-N 335.220 4.321 0 40 EIAB CCn1ccnc1/C=C/C(=O)OCc1ccc(-c2ccccc2)cc1 96004391 TZNONFRHEDPGKU-OUKQBFOZSA-N 332.403 4.327 0 40 EIAB O=C1[C@@H](SC2CCOCC2)CCN1c1ccc(Cl)cc1Cl 191210796 OJRVNRFIEDUGCT-AWEZNQCLSA-N 346.279 4.011 0 40 EIAB Cc1cc(OCC(=O)n2cc(C=O)c3ccccc32)ccc1Cl 216755097 MYVBEDZMBBGFPQ-UHFFFAOYSA-N 327.767 4.135 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1F 223008831 BNUSRXZLSIAHPU-CQSZACIVSA-N 347.455 4.052 0 40 EIAB C[C@H]1CCCN(c2ccc(NC(=S)NC3CCCCCC3)cn2)C1 224041861 WURPMENJJGDQQD-HNNXBMFYSA-N 346.544 4.327 0 40 EIAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COC(C)C 224422151 MQRGAKAPOUZYBO-UHFFFAOYSA-N 347.842 4.204 0 40 EIAB C[C@H](Cc1cccc2ccccc12)C(=O)NCCOCc1ccccc1 224942151 VJUOBTPHGIPPNE-GOSISDBHSA-N 347.458 4.351 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1C 224965995 YFQNVWPTUPRPOB-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2cccnc12 225890351 NGTRYKIIFOEPHV-XOBRGWDASA-N 342.439 4.167 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3OC)N21 260788360 ZDYPNXGLYOKFAH-XWIAVFTESA-N 339.464 4.070 0 40 EIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1F 408559696 BGPNOJAGRNUXCQ-VZCXRCSSSA-N 340.423 4.425 0 40 EIAB C[C@@H](NCCc1ccc2ccccc2n1)c1ccc2c(c1)CCC(=O)N2 562315125 MGDZFJFIFRGNCR-OAHLLOKOSA-N 345.446 4.013 0 40 EIAB CO[C@@H](CNC(=O)c1ncsc1C(C)C)c1ccc(Cl)cc1 585084916 BTWCCJIFNUVVBC-ZDUSSCGKSA-N 338.860 4.037 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1cc2ccccc2oc1=O 67956 FYSWVOJNVQWYKT-UHFFFAOYSA-N 333.265 4.064 0 40 EIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(N2CCCCC2)cc1 118072 HVIQWSYSAXVOLR-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB CC(C)Sc1nncc(-c2cc3c(c(SC(C)C)n2)CCC3)n1 381720 ZHYUELQMZBSICA-UHFFFAOYSA-N 346.525 4.423 0 40 EIAB Cc1cccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c1 383611 OOWLNQQNTGHQJP-UHFFFAOYSA-N 332.355 4.433 0 40 EIAB Cc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1C(F)(F)F 483125 ISPFCNCXZOBRHB-UHFFFAOYSA-N 339.700 4.468 0 40 EIAB CC[C@@H](C)c1ccc(O)c(NC(=O)c2cc3ccccc3oc2=O)c1 485772 HEVPSOHNQTUAMS-GFCCVEGCSA-N 337.375 4.264 0 40 EIAB biogenic C[C@H]1C[C@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 552499 MOGCLMUWPUAISZ-GJZGRUSLSA-N 335.455 4.442 0 40 EIAB COc1cc2c(cc1OC)/C(=C/c1ccc(C(C)C)cc1)C(=O)OC2 2112377 ZNIBPUJCPPWAJD-NVMNQCDNSA-N 338.403 4.425 0 40 EIAB biogenic CCn1c(NC(=O)C(C)C)c(-c2cccs2)c(=O)c2ccccc21 2228467 IPZMZZQUFWVCAV-UHFFFAOYSA-N 340.448 4.344 0 40 EIAB CC(C)(C)c1c2c(nn1C(=O)c1ccccc1)-c1ccccc1C2=O 2543428 IISNYSJKZPFULY-UHFFFAOYSA-N 330.387 4.081 0 40 EIAB COc1ccc2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)coc2c1 3338498 CXHLUZYNQNTTFT-FIKMYACPSA-N 341.451 4.315 0 40 EIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1Cl 3571446 HJJXUKZRMIPYIB-UHFFFAOYSA-N 331.730 4.000 0 40 EIAB CCOc1ccc(-c2n[nH]c(=S)n2-c2ccc(OC)cc2)cc1 4608538 SPAYSDYFFWZZJB-UHFFFAOYSA-N 327.409 4.004 0 40 EIAB Clc1cccc(CNCCCSc2ncccn2)c1Cl 4984155 SWONSDNIXVDGDN-UHFFFAOYSA-N 328.268 4.055 0 40 EIAB CCOP(=O)(OCC)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 6464245 MWDMMUQUCNSTNK-GFCCVEGCSA-N 327.144 4.425 0 40 EIAB CC(C)c1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc1 6727377 YEMXBUZCBRKZQE-KRWDZBQOSA-N 341.480 4.288 0 40 EIAB c1cncc(-c2nc3c4ccccc4nc(NC4CCCCC4)n3n2)c1 6805414 VVGWPVAMDBVPIG-UHFFFAOYSA-N 344.422 4.084 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(C)c(F)c2)c1 7378027 CDXOEYLKCRTTAN-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB CCCCNC(=S)N1CCC[C@@H](c2nc3ccccc3s2)C1 7581564 FOXVGAWVAJKFEM-CYBMUJFWSA-N 333.526 4.150 0 40 EIAB O=C(NC1CCCCCC1)c1ccc(OCc2cscn2)cc1 7807636 GLVJFLUTFSAAGG-UHFFFAOYSA-N 330.453 4.175 0 40 EIAB FC(F)(F)c1nc(Sc2nnc(C3CC3)o2)c2ccccc2n1 8036376 YHEUIBRXOPGAKY-UHFFFAOYSA-N 338.314 4.060 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC(C)C)cc1 8558534 WCAUVFFZKJWAOX-KRWDZBQOSA-N 343.423 4.279 0 40 EIAB Cc1nc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cs1 9118097 HBVAVJQHYQDODT-GOSISDBHSA-N 335.432 4.218 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 11563079 FMBSFVOZFRCYRF-UHFFFAOYSA-N 336.370 4.023 0 40 EIAB COc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 11618655 CPHJIVPUUFEJEJ-UHFFFAOYSA-N 332.403 4.413 0 40 EIAB O=C(Nc1ccccc1N1CCCCCC1)[C@H]1Cc2ccccc2O1 12527738 CMCBDHSYERSKDG-HXUWFJFHSA-N 336.435 4.009 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1F 12677194 XASDZBQTQPURDC-IFXJQAMLSA-N 326.415 4.202 0 40 EIAB CC(C)N(C(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 12868818 MEBGISOBKYDQPO-UHFFFAOYSA-N 344.414 4.242 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)Nc1cc(C)c(Cl)cc1OC 13068969 PYEJVDGZWZEIEX-LBPRGKRZSA-N 348.830 4.105 0 40 EIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)c(C)c1 13675815 WUHRNJDGSUUYOU-CQSZACIVSA-N 343.448 4.291 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708763 IDDWLCNSBBQCNW-CQSZACIVSA-N 349.386 4.032 0 40 EIAB CC(C)C[C@H](NC(=O)c1ccc[nH]c1=S)c1nc2ccccc2[nH]1 14084735 JNTNHQYJEMVADH-HNNXBMFYSA-N 340.452 4.138 0 40 EIAB COc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(C)o1 15831758 SUASXIQRQIAMEN-UHFFFAOYSA-N 325.364 4.032 0 40 EIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1n[nH]c2ccccc12 15982784 LMCSJKMTPLGTIT-UHFFFAOYSA-N 325.371 4.386 0 40 EIAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCCCC1 16740427 PIYSUZMMDYUTLR-UHFFFAOYSA-N 331.419 4.313 0 40 EIAB CCCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 17064499 QDKMPHAVXBJIIS-UHFFFAOYSA-N 337.341 4.424 0 40 EIAB O=C(COc1ccc(C2CCCCC2)cc1)NCc1cccs1 22743381 SXVWVPWVTQZJLL-UHFFFAOYSA-N 329.465 4.491 0 40 EIAB CN(Cc1ccc2ccccc2c1)Cc1cc(F)cc2c1OCOC2 27536679 BKWOYIJIIWMZGM-UHFFFAOYSA-N 337.394 4.477 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN[C@@H](C)c1ccccc1 28297101 SILYRVYUBDNFOK-FXAWDEMLSA-N 336.479 4.278 0 40 EIAB Cc1cc([C@H](C)NC(=O)N[C@@H]2CCOc3ccccc32)c(C)s1 28358532 ADTXQGSXOWUHLD-BLLLJJGKSA-N 330.453 4.249 0 40 EIAB COc1ccc(CSc2noc(-c3ccc(C)cc3)n2)cc1OC 32611979 GXSMTIODXCEVCN-UHFFFAOYSA-N 342.420 4.355 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1F 32796682 WUISILQIANLOAJ-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB O=C(Nc1ccccc1)N1CCC(n2cnc3cc(F)ccc32)CC1 35316047 HYGRHOLIKLSALO-UHFFFAOYSA-N 338.386 4.044 0 40 EIAB COc1ccc(C(=O)CSc2nccc3c(OC)cccc23)cc1 36708198 YZJRAAFQZMJVHY-UHFFFAOYSA-N 339.416 4.227 0 40 EIAB C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 43485880 WILGXBXVSPXPEI-CYBMUJFWSA-N 345.393 4.448 0 40 EIAB CN(Cc1cc(Br)cs1)C(=O)CCc1ccccc1 48069408 LGLLOOYPYMIFQI-UHFFFAOYSA-N 338.270 4.102 0 40 EIAB Clc1cccc(Cl)c1OCc1csc(-c2ncccn2)n1 53449931 CKPRDDPMZKYXPC-UHFFFAOYSA-N 338.219 4.486 0 40 EIAB CC1CCN([C@H](C)CNC(=O)Nc2cc(Cl)ccc2Cl)CC1 58308555 MHJZCNUPIHRGBR-GFCCVEGCSA-N 344.286 4.235 0 40 EIAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477509 DDPWJRUOOLQHPI-WYMLVPIESA-N 347.370 4.385 0 40 EIAB CC1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2N)CC1 72229068 AKPIYHSXQQRSDJ-UHFFFAOYSA-N 343.858 4.411 0 40 EIAB O=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1ccccc1 72328821 JSPQLUHUEWMBPK-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2F)C1 72406504 HRYHHOIGXMKDDA-CYBMUJFWSA-N 327.384 4.256 0 40 EIAB Cc1ccc(NC(=O)C[C@H]2CC(=O)Oc3cccc(Cl)c32)c(C)c1 80345798 HEULDVZCWYIPME-ZDUSSCGKSA-N 343.810 4.378 0 40 EIAB CO[C@@H]1CCCC[C@@H]1OC(=O)c1sc(Cc2ccccc2)nc1C 84064422 BPOZIUSPGKIUOM-CVEARBPZSA-N 345.464 4.157 0 40 EIAB COc1ccc(F)c(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c1 88226842 KIGQITSIUADJDV-UHFFFAOYSA-N 346.745 4.395 0 40 EIAB c1ccc(CCC[C@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 89830489 QUWYMFZKLPJNQN-LJQANCHMSA-N 347.466 4.044 0 40 EIAB CSC1(CN[C@H](C)c2sc(C(C)C)nc2C)CCOCC1 90112982 PLNYTCCRJLUIBF-GFCCVEGCSA-N 328.547 4.138 0 40 EIAB Cc1ccc2c(-c3ccccc3)nc(N3C[C@H](C)O[C@H](C)C3)nc2c1 95115980 XBZIWRYPXVTDGX-IYBDPMFKSA-N 333.435 4.219 0 40 EIAB COc1cccc2cc([C@H](C)N[C@H]3CCO[C@]4(CCSC4)C3)oc12 95988098 AYNGBCPHNOORSQ-ZUEVXXBESA-N 347.480 4.147 0 40 EIAB O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1 96003917 YGIUAPIWZPYFTJ-HOTGVXAUSA-N 348.284 4.345 0 40 EIAB CC[C@H](NC(=O)Nc1nnc(C(F)F)s1)c1cc(F)ccc1F 96420144 OQNPQGQPFOWXKA-VIFPVBQESA-N 348.325 4.027 0 40 EIAB Cc1noc(C)c1CCNC(=O)Nc1ccccc1SC(C)C 96474188 LUWBCMLACTYZHK-UHFFFAOYSA-N 333.457 4.156 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 224185849 CGVZAZNUFQOFLC-UHFFFAOYSA-N 348.805 4.261 0 40 EIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1C 224255720 TXEOJZUMHPOVNC-RTBURBONSA-N 349.459 4.469 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224602166 AFAMAXKQEBHLOP-CQSZACIVSA-N 347.414 4.353 0 40 EIAB Cc1ccc2c(c1)OC1(CCN(Cc3ccccc3F)CC1)CC2=O 225816363 SRPLBLNPROLXGP-UHFFFAOYSA-N 339.410 4.134 0 40 EIAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)c(C)o1 585148265 UYPZKULSRMNUEL-ZDUSSCGKSA-N 347.461 4.150 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](C)CC1CCCCC1 622563930 SAPFGSIPBDTERW-LLVKDONJSA-N 328.378 4.498 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCCCc2cc(Cl)ccc21 622960239 GUDFPOVFQBVIQC-UHFFFAOYSA-N 332.831 4.247 0 40 EIAB CC(C)Oc1ccc(NC(=O)c2cccc(Br)c2)cc1 144412 XHEYLUWJZQFDTC-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 204442 FJHTYHRPNFFIHB-UHFFFAOYSA-N 336.782 4.120 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 479333 BZIWENTZTLBJII-GFCCVEGCSA-N 330.815 4.121 0 40 EIAB CCOC(=O)c1c(NC(=O)CC)sc2c1CCc1ccccc1-2 528662 HADMZZMAUZSIOL-UHFFFAOYSA-N 329.421 4.039 0 40 EIAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1 1943753 IPPTYICDDLSURC-UHFFFAOYSA-N 339.435 4.396 0 40 EIAB O=C(c1cccc(CN2CCC2)c1)c1ccc(Br)c(F)c1 2515127 INPQEDYXWPSYGQ-UHFFFAOYSA-N 348.215 4.025 0 40 EIAB COc1ccc(-n2nc3c(c2NC(=O)CC(C)(C)C)CSC3)cc1 4341930 XVBRXRSTPFRADN-UHFFFAOYSA-N 345.468 4.002 0 40 EIAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)c1ccc(Cl)cc1 4835172 LZKPGICZFRYARA-GFCCVEGCSA-N 343.839 4.284 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4902965 AYCUOBHKGYYYNL-INIZCTEOSA-N 333.435 4.194 0 40 EIAB O=C(O)C/C(=C\c1ccccc1OC(F)F)c1nc2ccccc2o1 5269437 ONNLBKXOEJACCE-FMIVXFBMSA-N 345.301 4.445 0 40 EIAB CC(C)NC(=O)Nc1ccccc1C(=O)OC/C=C/c1ccccc1 6589959 JOTNFOUAYMTYEQ-DHZHZOJOSA-N 338.407 4.087 0 40 EIAB O=C(c1cccc(OCc2ccccc2)c1)N1CCc2ccccc2C1 7668587 WRJLIPGKBMVALX-UHFFFAOYSA-N 343.426 4.464 0 40 EIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccsc1 7699971 CBDYSQGHHSTTOG-YRNVUSSQSA-N 348.349 4.421 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](C)c1ccccc1 8332832 QJWIYGUTFFRBTJ-ZDUSSCGKSA-N 337.448 4.047 0 40 EIAB O=C(CCc1ccco1)Oc1ccc(NC(=O)c2ccccc2)cc1 8406153 VXOWRWAKNKZIJL-UHFFFAOYSA-N 335.359 4.070 0 40 EIAB CCCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 9064328 HXHQDXUXHSDHHZ-AWEZNQCLSA-N 333.501 4.069 0 40 EIAB CCOc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3C)cc2c1 9236187 UYPHWNWEERSSKO-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl 12553157 DZPQCKKIYSLPAB-BDJLRTHQSA-N 332.806 4.083 0 40 EIAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1ccccc1 12758074 BRXYPZHOVMGVPL-NRFANRHFSA-N 345.446 4.169 0 40 EIAB Cc1ccc2onc(CC(=O)Nc3ccc(Br)cc3)c2c1 19910218 BEXZIVGLERLHCH-UHFFFAOYSA-N 345.196 4.080 0 40 EIAB O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccccc1F 22197820 QKQBDFYEWXJVNC-UHFFFAOYSA-N 340.442 4.109 0 40 EIAB CCc1cccc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235205 ZUGJBWDBHXRJMI-UHFFFAOYSA-N 346.430 4.071 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 22529391 MSTYACZPGFCLQE-SFHVURJKSA-N 349.386 4.365 0 40 EIAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CC1 27481874 LVKIDFOFEZZRAA-UHFFFAOYSA-N 326.343 4.030 0 40 EIAB C[C@@H](NC(=O)COc1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 27676236 BGFYOMNOOFYDNV-JSFDKUKPSA-N 349.421 4.065 0 40 EIAB CC1(C)NC(C)(C)c2cc(Br)c(Br)cc21 32301857 DHTCCDMFOWGOJW-UHFFFAOYSA-N 333.067 4.285 0 40 EIAB CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(Cl)ccc21 32607819 UEPHKAUEWJRUIB-UHFFFAOYSA-N 344.773 4.066 0 40 EIAB Cc1ccc(-c2noc(CCC(=O)Oc3c(C)cccc3C)n2)cc1 32777924 LSMPFHNVWSDIJM-UHFFFAOYSA-N 336.391 4.200 0 40 EIAB O=C(c1cccc(Br)c1)N1CCC[C@H]1c1ccsc1 36398562 FOIFNYXQGXIYPX-AWEZNQCLSA-N 336.254 4.488 0 40 EIAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 38833810 XGQXFKQBXIEUOU-MRXNPFEDSA-N 328.843 4.191 0 40 EIAB O=C(NCCc1cccs1)Nc1ccc(Br)cc1F 40097443 AWNFPIGFXKYMFG-UHFFFAOYSA-N 343.221 4.014 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Cn2ccnc2)c1 47239807 BAIUJFBYOOVSDA-UHFFFAOYSA-N 345.324 4.203 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1 58017329 GZWCIIVSDDRZHV-UHFFFAOYSA-N 349.390 4.228 0 40 EIAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1c(C)noc1C 58217546 CCAQZJRZRCVVQE-AWEZNQCLSA-N 341.455 4.227 0 40 EIAB Cc1ccc(-c2nnc(CCC(=O)N(C)C3CCCCCC3)o2)cc1 65514865 SRYVMHQFICTIBE-UHFFFAOYSA-N 341.455 4.159 0 40 EIAB CC(C)c1noc(CCCNc2nc(C(F)F)nc3ccccc23)n1 65528942 ZHEOEKSBJJIQFW-UHFFFAOYSA-N 347.369 4.119 0 40 EIAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 65860317 AVPGQBOTCQDFHY-UHFFFAOYSA-N 330.516 4.230 0 40 EIAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C 67890028 BXFJDGLQJSPIKX-QAPCUYQASA-N 347.503 4.074 0 40 EIAB biogenic,in-vitro CCCN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214517 YNYNIHKBVMZYOX-INIZCTEOSA-N 333.476 4.390 0 40 EIAB CCOc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nccs1 72272089 OMOVRSCEOKLQMR-MRXNPFEDSA-N 344.480 4.228 0 40 EIAB CCN(CCC(=O)Nc1cccc2ccccc12)Cc1ccccn1 75109346 ASEOXTHDDDPPKQ-UHFFFAOYSA-N 333.435 4.086 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(C)(C)C)nn1C 77589890 NGTNFVALMIXFLO-ZDUSSCGKSA-N 339.439 4.297 0 40 EIAB CC(C)(C)c1csc(NC(=O)C[C@H]2OCCc3ccsc32)n1 84284758 MHDARBNQWJDYIM-LLVKDONJSA-N 336.482 4.145 0 40 EIAB O=C(Nc1ccncc1)N1CCc2ccccc2[C@H]1Cc1ccccc1 90090671 AWTUPRHIOWFGAA-OAQYLSRUSA-N 343.430 4.456 0 40 EIAB Clc1ccc(CSc2nnc(C3CC3)n2Cc2ccco2)nc1 95993753 JFNHZPAJFOUEHO-UHFFFAOYSA-N 346.843 4.138 0 40 EIAB Cc1nnc(CN[C@@H]2CCCC[C@@H]2c2ccccc2C(F)(F)F)o1 97110955 IPVUBBHYIFUVFG-UKRRQHHQSA-N 339.361 4.213 0 40 EIAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1C 101170500 DDDIJQWMJDFSJP-QFBILLFUSA-N 342.439 4.377 0 40 EIAB CCOC(=O)c1c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCC2 102270864 XKXWROUSKDIYMI-RWMBFGLXSA-N 347.480 4.178 0 40 EIAB O=C1[C@H](c2ccc(Cl)c(Cl)c2)OC2=Nc3ccccc3N[C@@H]12 104239943 XQHPFUBUOSOHLZ-ZFWWWQNUSA-N 333.174 4.158 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1cccnc1 107332126 DTKGIZRBYWMKMO-PCODUJHASA-N 337.467 4.044 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 113969923 WYOAEWQMBJCCHN-LJQANCHMSA-N 341.451 4.176 0 40 EIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(F)cc1C 120297648 CBONXLGGFWNKDH-UHFFFAOYSA-N 328.387 4.289 0 40 EIAB Cc1oc(-c2ccsc2)nc1C[S@@](=O)CCc1cccs1 195579380 TZWMQXIQUSKLKC-NRFANRHFSA-N 337.491 4.264 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(OC)ccc1OC 222946007 DOLQOUBLVBEAQX-KRWDZBQOSA-N 343.423 4.117 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 223442625 XAGZVHCWIKMLRZ-GOSISDBHSA-N 325.452 4.485 0 40 EIAB CCOCc1cc(C(=O)Nc2ccccc2SC)ccc1OC 224408229 LNPRASOENNQGKN-UHFFFAOYSA-N 331.437 4.206 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCSC1CCCCC1 225035621 CMFBRJZINYISBX-UHFFFAOYSA-N 327.877 4.144 0 40 EIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 225647863 OCBDHXNJJKZFOR-UHFFFAOYSA-N 338.451 4.392 0 40 EIAB CCC1(NC(=S)Nc2ccc(Br)cc2)CCCC1 225846287 BBNLHDGBSWQBKY-UHFFFAOYSA-N 327.291 4.458 0 40 EIAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c(C)n1 225889486 AIBPDGQXBVCZMM-AUUYWEPGSA-N 334.460 4.103 0 40 EIAB Cc1cccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225917332 XHGMFBBWWJEZKP-UHFFFAOYSA-N 332.407 4.398 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2c(C)cc(C)cc2N)cc1Cl 226349862 NJJKPJORNMTSAA-UHFFFAOYSA-N 339.222 4.453 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1C 409182809 OEKJZSASQMDKSK-AWEZNQCLSA-N 343.448 4.209 0 40 EIAB COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCC[C@H]23)c1OC 409188095 AETBJWGSGXDNJO-JEBQAFNWSA-N 329.371 4.087 0 40 EIAB CCn1c(SCc2conc2C)nnc1-c1cccc(Cl)c1 521394526 MQZBJHXGBPZWMS-UHFFFAOYSA-N 334.832 4.207 0 40 EIAB O=C(O)[C@H](c1ccsc1)N1CCC[C@H]1c1nc2ccccc2s1 576830311 RZZXPCUZAZHBOF-ZFWWWQNUSA-N 344.461 4.321 0 40 EIAB O=C(NCc1cccc(Oc2ccccc2F)c1)c1cncs1 1530811366 VRHKRFIEMCZESX-UHFFFAOYSA-N 328.368 4.005 0 40 EIAB Cc1cc(CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)no1 1535918580 AUSNKPVJMKYATF-MOPGFXCFSA-N 340.467 4.394 0 40 EIAB O=C1OC(c2ccco2)=N/C1=C\c1cccc(OCc2ccccc2)c1 63455 UUGAGJZPABJMFP-AQTBWJFISA-N 345.354 4.203 0 40 EIAB O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccc(Br)cc1 163828 KCIJKKMJZDOIQE-SJORKVTESA-N 329.193 4.088 0 40 EIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCCCCCC1 2648543 YBIMYOFPGRZUGJ-UHFFFAOYSA-N 339.483 4.391 0 40 EIAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 2715829 BYUMPOPBKJIFNK-UHFFFAOYSA-N 334.423 4.062 0 40 EIAB Nc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 3073464 NRCRPAWQFRKVEU-UHFFFAOYSA-N 332.432 4.368 0 40 EIAB Cc1ccc2c(COC(=O)c3c(F)cccc3Cl)cc(=O)oc2c1 3510928 RQWXBFLGSKOBRU-UHFFFAOYSA-N 346.741 4.251 0 40 EIAB COc1cccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)c1 3884666 INZMANTZZFBIJO-LCYFTJDESA-N 325.389 4.320 0 40 EIAB C[C@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)[C@@H]1C 4416273 DFNGAFHVTDGQKG-YHELAOLJSA-N 341.495 4.400 0 40 EIAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCC1=CCCCC1)CC3 4852012 RAXLRHAOGDRGSK-UHFFFAOYSA-N 331.415 4.425 0 40 EIAB Cc1oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2c1C 5302887 VPWXHQDFCHIPNW-UHFFFAOYSA-N 333.178 4.461 0 40 EIAB Cc1cc(C)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1C 5400446 FPOJHIUPBXJQPF-UHFFFAOYSA-N 341.480 4.391 0 40 EIAB C[C@@H](C(=O)n1nnc2ccccc21)N(c1ccccc1)c1ccccc1 5550604 LRFFERGRTBINMU-INIZCTEOSA-N 342.402 4.298 0 40 EIAB O[C@H](Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 6566804 BJVQUNDRPLKUEL-OAQYLSRUSA-N 344.414 4.349 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 6811388 YMDSJZICDVXQQL-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB O=C(COc1ccccc1Cl)Nc1cc(-c2ccccc2)no1 6811472 JQXMZTJSCRWUSL-UHFFFAOYSA-N 328.755 4.013 0 40 EIAB O=C(CSc1nncs1)Nc1ccc2oc3ccccc3c2c1 7442624 MRUDLRNSEWLHPM-UHFFFAOYSA-N 341.417 4.168 0 40 EIAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c(C)c1 7524281 NSLNLFGWYAIHJC-INIZCTEOSA-N 328.431 4.382 0 40 EIAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc[nH]1 8392129 PRHOZDIRJYUFRA-UHFFFAOYSA-N 337.759 4.062 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 8735804 RKBHKCZCGQVVDJ-UONOGXRCSA-N 335.831 4.070 0 40 EIAB CCC[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 9112202 CLMHCIQCZFZXTR-LJQANCHMSA-N 336.435 4.101 0 40 EIAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(Cl)cc2Cl)C1 10542853 OUGJIPRFLLEBAK-STQMWFEESA-N 343.298 4.091 0 40 EIAB CCCc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11266342 XYVXLKTXWJDANW-LJQANCHMSA-N 326.415 4.210 0 40 EIAB COc1ccc(CN2Cc3cc4cc(C)cc(C)c4nc3OC2=O)cc1 12222968 YUPCARYYYLQQLI-UHFFFAOYSA-N 348.402 4.375 0 40 EIAB CCn1ncc(C(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(C)cc2)C3)c1C 12276744 FWWSTFSPJWQIDQ-YQQQUEKLSA-N 337.467 4.071 0 40 EIAB CCCCC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 12350240 XMZJDYUXBVTMTE-NFOMZHRRSA-N 344.455 4.341 0 40 EIAB COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1F 14166991 CXEZDIKGQOQTGU-UHFFFAOYSA-N 331.387 4.393 0 40 EIAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1Cl 16015564 RZNWQLGWFRCSAV-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB Cc1ccccc1CN1CCC[C@@H]1c1n[nH]cc1-c1onc(C)c1C 19237193 KVMULXMXHOEGQQ-GOSISDBHSA-N 336.439 4.327 0 40 EIAB C[C@H](NC(=O)Cc1cccc(F)c1)c1cccc(Br)c1 19934994 LUXDDZNFQVUBJZ-NSHDSACASA-N 336.204 4.008 0 40 EIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 20025521 CFNVZWCZYRALRT-LBPRGKRZSA-N 348.240 4.257 0 40 EIAB CCC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 20096485 GWPSNAKXXZYQSR-UHFFFAOYSA-N 336.435 4.486 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 20492685 FEQSCSPDZSXGJL-QFBILLFUSA-N 341.451 4.429 0 40 EIAB COc1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1 20721714 HMNBYAXKAJFVKT-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB Cc1cccn2c(=O)cc(CSCc3ccc(Cl)cc3)nc12 23221176 FATULUKEJMBZGF-UHFFFAOYSA-N 330.840 4.090 0 40 EIAB CC[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)N1CCCC1 24798521 NSHRFAINUIBZHK-MRXNPFEDSA-N 346.858 4.204 0 40 EIAB Cc1noc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 25037448 CKXIWNLKRCKAMC-UHFFFAOYSA-N 348.859 4.021 0 40 EIAB Cc1ccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)s1 33531003 CFODJMYFOUTGCC-FLIBITNWSA-N 328.824 4.364 0 40 EIAB CC(C)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 40160084 VBEJXQHYSKWPAL-CYBMUJFWSA-N 344.842 4.220 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCSc3ccccc32)o1 42956912 IZEXMNCFHXTVTH-HNNXBMFYSA-N 325.437 4.305 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351950 SPMUKRMCCYBMAN-UZLBHIALSA-N 341.451 4.347 0 40 EIAB O=C(NCCOc1ccc(C2CCCCC2)cc1)c1ccccc1O 59474414 WTNQUGOPMGETCN-UHFFFAOYSA-N 339.435 4.249 0 40 EIAB O=C(c1cnc(NCCc2ccsc2)c(Cl)c1)N1CCCCC1 60446356 VRSYEWVYBIPTLE-UHFFFAOYSA-N 349.887 4.077 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl 69381016 QSOUTAUGWAKCNV-SFHVURJKSA-N 340.785 4.394 0 40 EIAB CO[C@H](C(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccccc1 72047268 NHHYEGMPKCBTEO-KRWDZBQOSA-N 331.843 4.122 0 40 EIAB CCc1cc2c(N[C@H](CC)[C@@H](O)c3ccccc3F)ncnc2s1 72304146 DPUCJKPCUQBSID-CVEARBPZSA-N 345.443 4.317 0 40 EIAB O=C(NC[C@@H](O)c1cccs1)c1ccccc1Oc1ccccc1 75155988 GQENHTMTYNTQPQ-MRXNPFEDSA-N 339.416 4.004 0 40 EIAB CC(C)n1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 76556405 FMPZXLJURRYNJJ-GOSISDBHSA-N 347.462 4.176 0 40 EIAB O=C(CCc1ccccc1O)NC(c1cccs1)c1cccs1 78188987 RNLRASZIYAZSBV-UHFFFAOYSA-N 343.473 4.354 0 40 EIAB CSc1cccc(NC(=O)Nc2cc(C(=O)N(C)C)ccc2C)c1 79821018 OTLDFFKCBFOWED-UHFFFAOYSA-N 343.452 4.063 0 40 EIAB CCc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80345062 WLMCEWHBFWKOAP-GHMZBOCLSA-N 342.251 4.150 0 40 EIAB CCc1ccc([C@H]2CCCCCN2C(=O)NCc2ccn(C)c2)o1 81509798 SOYUZSIEORPNBI-QGZVFWFLSA-N 329.444 4.007 0 40 EIAB Fc1cc2c(c(CN3CCC[C@H]3CCc3ccccc3)c1)OCOC2 84528470 KUSKJPXJSPZFEA-FQEVSTJZSA-N 341.426 4.289 0 40 EIAB CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(C(F)(F)F)c2)C1 89223601 BHAXYTZMGMYPML-GFCCVEGCSA-N 344.377 4.374 0 40 EIAB O=C(NCc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)c(Cl)c1 95464765 PMXVQLGNMRGZMV-UHFFFAOYSA-N 346.217 4.314 0 40 EIAB CC(=O)c1cc(NCc2coc(-c3ccccc3)n2)cc(C(C)=O)c1 95974978 WICFZWNZDXSHCM-UHFFFAOYSA-N 334.375 4.359 0 40 EIAB Cc1ccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 96261321 OHPYIEMABZDLQA-FCHUYYIVSA-N 349.474 4.247 0 40 EIAB CN(C(=O)c1cccc(COc2cccc(F)c2)c1)c1ccccn1 96413123 SFKBGUPLPIZPDJ-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB COCc1ccc(C(=O)Nc2cc(F)ccc2SCC(F)F)o1 96414515 QICMHFACEDYUAV-UHFFFAOYSA-N 345.342 4.175 0 40 EIAB O=C(N[C@H](c1cccnc1)c1cc2ccccc2o1)C1[C@H]2CCC[C@H]12 101465858 PYDLKGUXYSJLST-TWOQFEAHSA-N 332.403 4.080 0 40 EIAB CCc1noc(C)c1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 104392037 HAYUKTCGQBAVLL-HNNXBMFYSA-N 345.447 4.035 0 40 EIAB CCOC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 109767760 BOARBCZRFIFMTG-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219317267 BGIBGKYWZGGYDF-YLJYHZDGSA-N 341.451 4.045 0 40 EIAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(C)cc1 224118797 HFLAXGXDFQVEPJ-UHFFFAOYSA-N 327.424 4.111 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224924394 DXUCIUPVLFOJMT-IBGZPJMESA-N 342.414 4.222 0 40 EIAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1F)CC(C)(C)O2 225449209 LXXWCFSDYBDSJK-QGZVFWFLSA-N 327.399 4.095 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(C)n1 225680290 FMQJGMQUFDVCKY-HNNXBMFYSA-N 341.480 4.287 0 40 EIAB CC(C)c1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1 225735461 XXGCRVYCQDIJCF-MRXNPFEDSA-N 333.545 4.218 0 40 EIAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)c(C)cc1OC 409118843 QJSPFYHZXWWPJN-ATVHPVEESA-N 337.419 4.309 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(C)c(Cl)c1)C2 409206783 PVDBBMRWYUVCFY-UHFFFAOYSA-N 328.843 4.220 0 40 EIAB C[C@@H](C(=O)N1CCOc2cccc(F)c2C1)c1cc2ccccc2o1 513079558 HHKFUGITVADMOX-CYBMUJFWSA-N 339.366 4.097 0 40 EIAB CCC[C@@H]1CCCCN1Cc1oc(-c2ccccc2)nc1C(=O)O 515066868 XECCHNDIJHXJGL-OAHLLOKOSA-N 328.412 4.194 0 40 EIAB COc1c(F)cc(NC(=O)c2ccc(-c3ccccc3)o2)cc1F 542212901 GADGLDWBNKIXGP-UHFFFAOYSA-N 329.302 4.486 0 40 EIAB CC(C)c1ncc(-c2nc([C@H]3CCOc4ccccc43)no2)s1 546401668 OUYVSSISKXIYNN-LBPRGKRZSA-N 327.409 4.231 0 40 EIAB O=C(O)c1ccc(CN2CCC([C@H](F)c3ccccc3F)CC2)o1 576123693 XNDDBBHDPLGAPU-KRWDZBQOSA-N 335.350 4.040 0 40 EIAB Cc1cc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)ccc1F 70745 LKZZDHKJFDTYCH-UHFFFAOYSA-N 344.367 4.405 0 40 EIAB in-vivo Cc1nc(N2CCCC2)c2sc(=S)n(-c3ccccc3)c2n1 105849 CKOPKDCYLZHBDH-UHFFFAOYSA-N 328.466 4.120 0 40 EIAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 154169 YSKJKRDGHBWSAQ-UHFFFAOYSA-N 339.460 4.439 0 40 EIAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3Cl)[C@@]21C 545020 TUSYMUCMUXZBFQ-HXUWFJFHSA-N 340.854 4.196 0 40 EIAB O=C(Nc1nnc(CC2=CCCCC2)s1)Nc1ccccc1F 552399 DORBVBGPJWKSHK-UHFFFAOYSA-N 332.404 4.364 0 40 EIAB CCCc1nc(SCC(=O)N2CCCC[C@@H]2C)c2ccccc2n1 1342707 XYKKQPQTLHRQEV-AWEZNQCLSA-N 343.496 4.075 0 40 EIAB O=S1(=O)C=C(Oc2ccc(Cl)cc2Cl)c2ccccc21 2214923 GEJNCPRGZWNHBD-UHFFFAOYSA-N 327.188 4.158 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)C1(c2ccccc2)CCCC1 3451460 HRJKKFAHYDHDPK-UHFFFAOYSA-N 326.465 4.472 0 40 EIAB O=C(Nc1ccccc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4248106 XKZPLYGSIUAMQJ-HXUWFJFHSA-N 343.382 4.393 0 40 EIAB CC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 5017452 BPOQLGWYDGGDNN-UHFFFAOYSA-N 345.811 4.160 0 40 EIAB Cc1cc2cc(CNC(=O)Nc3cn(C)c4ccccc34)ccc2[nH]1 5265761 XNWNUEOWYGEPLU-UHFFFAOYSA-N 332.407 4.290 0 40 EIAB O=C(NC1CCCCCCCCCCC1)[C@H]1CC=CC[C@H]1C(=O)O 5375028 ABWCDIIQYWLBQU-ZWKOTPCHSA-N 335.488 4.443 0 40 EIAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1Br 5425369 FCGIOBCHGDFROD-AWEZNQCLSA-N 348.265 4.416 0 40 EIAB COc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 5526974 LBKMLCQMWWPIAZ-UHFFFAOYSA-N 334.213 4.029 0 40 EIAB CCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)cc(OCC)c1OCC 6047773 UWVJZUBZQLAEFM-HUUCEWRRSA-N 349.471 4.286 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 6377319 OODXCWHASGSFHU-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)c1 6462829 KCGNANOZSUIYDZ-LLVKDONJSA-N 345.449 4.226 0 40 EIAB CC(C)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21 6907151 USKOYBUEMZOGKR-UHFFFAOYSA-N 345.512 4.233 0 40 EIAB Cc1ccc(CSc2nccn(-c3cccc(Cl)c3)c2=O)cc1 6915333 KCGODEVIIJXVEB-UHFFFAOYSA-N 342.851 4.487 0 40 EIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 7052229 KQWVKRKQMWRCIO-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1F 8136251 FJRBLBTZPRVRBZ-UHFFFAOYSA-N 331.778 4.030 0 40 EIAB COc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)cc1 8742755 UFWYUIILNHQFIM-NRFANRHFSA-N 340.467 4.476 0 40 EIAB biogenic Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCO)cc1 9317545 DIWWJDKZNLJMSV-ZCXUNETKSA-N 330.478 4.201 0 40 EIAB CC(=O)c1ccccc1OCCOC(=O)c1oc2ccccc2c1C 9457990 LIWNUAUWYPJSMO-UHFFFAOYSA-N 338.359 4.180 0 40 EIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 9587102 OAFMFRSGGQGPNL-LBPRGKRZSA-N 339.416 4.303 0 40 EIAB O=C(NC1CCCCCC1)c1cccc(OCc2cscn2)c1 12748816 UGOPCPLCJXEYKS-UHFFFAOYSA-N 330.453 4.175 0 40 EIAB Cc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 12800204 YXYNEQFQBJGEPU-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB CCOc1ccccc1CCCNC(=O)CCSc1ccccc1 13649440 AMWYZKVQZUBZDI-UHFFFAOYSA-N 343.492 4.317 0 40 EIAB C[C@@H](NC=O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 13815307 MAALCIUOZARDBF-LLVKDONJSA-N 348.233 4.198 0 40 EIAB COc1ccc(NC(=S)Nc2cc(C)ccc2OC)cc1Cl 13935144 JADJPSSHVZQSQU-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB COc1ccc(C)cc1-c1csc(NC(=O)c2occc2C)n1 14019458 WAQPINKSTFEJFC-UHFFFAOYSA-N 328.393 4.281 0 40 EIAB Cc1c(C(=O)CSc2nnc3n2CCCCC3)oc2ccccc12 14141881 MEJAJNYOABKYTD-UHFFFAOYSA-N 341.436 4.034 0 40 EIAB Cc1ccc(SCCNC(=O)/C=C/c2nc3ccccc3o2)cc1 14803973 IZNUDWZRDFRTGM-ZHACJKMWSA-N 338.432 4.058 0 40 EIAB CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 15840869 KQEZXHRLSXFACJ-UHFFFAOYSA-N 340.810 4.468 0 40 EIAB Cn1c(COc2ccccc2)nnc1SCc1ccccc1Cl 17072045 MJQUGDDOIPISAW-UHFFFAOYSA-N 345.855 4.340 0 40 EIAB C[C@H]1CCCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)C1 20491758 OMJGSPHZQPNBDC-NSHDSACASA-N 332.296 4.485 0 40 EIAB COc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 21579193 HRYZQTWJOKEPBI-UHFFFAOYSA-N 336.269 4.004 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)cc1 27583805 DDAXKOHVPYIWMP-SFHVURJKSA-N 346.833 4.046 0 40 EIAB CCCC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28048107 OJXQYQIJCBKZIR-LJQANCHMSA-N 342.826 4.010 0 40 EIAB CN1C(=O)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C12CCCCC2 29464883 NNGBERBFHWGJPT-UHFFFAOYSA-N 344.499 4.190 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1c[nH]c2c(Cl)cccc2c1=O 32605814 CCIBSXZXEKHYKA-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB COc1ccccc1/C=C(/C(=O)Nc1cccnc1)c1ccccc1 32907846 XGUPREZIMZUFOD-XMHGGMMESA-N 330.387 4.270 0 40 EIAB CCOc1cccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 38771486 FUUCUGABPOPTBA-OAHLLOKOSA-N 329.465 4.191 0 40 EIAB COCc1ccccc1CNC(=O)Nc1ccc(Cl)cc1Cl 40096579 NCKQUWXXWZBTTG-UHFFFAOYSA-N 339.222 4.462 0 40 EIAB Cc1ccc(C)c(NC(=O)N(C)Cc2ccc(Br)o2)c1 48465563 MUBUJRWTFAVEAQ-UHFFFAOYSA-N 337.217 4.323 0 40 EIAB COC(=O)N(C)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 56449331 JLNOKYBIEPFHRG-UHFFFAOYSA-N 342.439 4.044 0 40 EIAB CCN(CC)Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 57427705 QLZXUZVOYBHVPI-UHFFFAOYSA-N 337.423 4.157 0 40 EIAB O=C(CSCCOc1ccc(Cl)cc1)N1CCc2ccccc21 57684585 FVVCCNFKNQSSMV-UHFFFAOYSA-N 347.867 4.041 0 40 EIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(C)cc1)CO3 58088564 BMOSQOCDSITEOJ-UHFFFAOYSA-N 349.430 4.324 0 40 EIAB biogenic O=C(NC1CCSCC1)c1ccc(C2SCCCS2)cc1 58433712 ISUPVLPWEVXNRK-UHFFFAOYSA-N 339.551 4.181 0 40 EIAB Cc1noc(CCCC(=O)N(C)Cc2ccccc2-c2ccccc2)n1 65606814 QRKXLLGZVYUCAZ-UHFFFAOYSA-N 349.434 4.026 0 40 EIAB Cn1cc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)cn1 65608280 VSQHZSHBRKUMQZ-UHFFFAOYSA-N 347.846 4.139 0 40 EIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(Cl)c[nH]1 65880390 LJQIFNDRIQQRHY-UHFFFAOYSA-N 339.826 4.214 0 40 EIAB Cc1c(NC(=O)NCc2cccnc2)cccc1OC1CCCC1 71857122 LWMOCUMQPILJON-UHFFFAOYSA-N 325.412 4.033 0 40 EIAB CC(C)(C)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccccn2)cc1 72311937 PLQZZCVBTKEHEP-LJQANCHMSA-N 337.467 4.155 0 40 EIAB CN(Cc1ccccc1)C(=O)CCn1ccc2ccc(Cl)cc21 72405833 GHLURRPZZLWJSU-UHFFFAOYSA-N 326.827 4.343 0 40 EIAB COc1cccc(NC2CCN(c3cccc(F)c3C(C)=O)CC2)c1 80678964 HTMDSVRPGWLASI-UHFFFAOYSA-N 342.414 4.118 0 40 EIAB Cc1c([C@H](C)NC(=O)c2cnc3onc(C)c3c2)oc2ccccc12 84068156 ADYWOIQIIYMYNI-LBPRGKRZSA-N 335.363 4.077 0 40 EIAB C[C@@H](NCCn1cnc2ccccc21)c1ccc(Br)cc1 84651514 SPNOQATXOBTOLG-CYBMUJFWSA-N 344.256 4.150 0 40 EIAB CC[C@@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 85557329 JJVCTTBMLYUQNM-GOSISDBHSA-N 333.391 4.401 0 40 EIAB O=C1CCCc2ccc(NCc3nccn3Cc3ccccc3)cc21 88534395 GSPFDIHMXZJDPF-UHFFFAOYSA-N 331.419 4.063 0 40 EIAB O=C(Nc1c(F)cccc1NC1CC1)c1ccc(C(F)(F)F)nc1 89768189 RFIPEECOTWKLNG-UHFFFAOYSA-N 339.292 4.066 0 40 EIAB C[C@H](NCc1ccnc(-n2cccn2)c1)c1cccc(C(F)(F)F)c1 95420078 JPZINYSOEDKREJ-ZDUSSCGKSA-N 346.356 4.137 0 40 EIAB C[C@@H](c1c(F)cccc1F)[S@@](=O)Cc1ccn(C2CCCC2)n1 95966841 MJIBKWVUFYBCES-DAOPMYJZSA-N 338.423 4.286 0 40 EIAB CCOC(=O)[C@H](N)[C@@H](O)CCCCCCCCCCCC(C)C 96030668 QCSTXHIBWMQIGZ-ZWKOTPCHSA-N 329.525 4.185 0 40 EIAB in-vitro Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 96447149 CGNYUKQDRDUNSW-LBPRGKRZSA-N 336.395 4.236 0 40 EIAB CCC(=O)N1CCC(N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 97016567 KLILUWGKQWFEPS-SNVBAGLBSA-N 347.261 4.184 0 40 EIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)CN5CCCC5)(C4)C2)C3)cc1 100902435 FFAIDMIJFPVFBB-NAMINWQUSA-N 337.507 4.498 0 40 EIAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1CCCC[C@@H]12 104271576 LUUHUQFDYJFSSB-VVJJBPBLSA-N 346.081 4.454 0 40 EIAB FC(F)(F)C1CCN(c2ncc(Cl)cc2Br)CC1 159825280 VMFBTULKXISKMN-UHFFFAOYSA-N 343.574 4.276 0 40 EIAB CCn1c(Cl)nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc21 222543373 FQDBGACMVJQXII-LBPRGKRZSA-N 327.815 4.201 0 40 EIAB CCOc1ccccc1CNC(=O)CCc1cccc2ccccc12 222674732 QLUVRKPDSBFSJC-UHFFFAOYSA-N 333.431 4.488 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCc2ccccc2C1 223008631 DGMGIEZHOJWWOE-LJQANCHMSA-N 343.854 4.391 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 223442157 FGXHQNUIVHATHB-JKSUJKDBSA-N 329.415 4.396 0 40 EIAB CCOc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225105269 GTGZTPMTPVHCLQ-FQEVSTJZSA-N 336.387 4.313 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccccc2)c1 225280988 UWCAOBCIYYQFEJ-CQSZACIVSA-N 342.464 4.219 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225365142 BCDQBNXSEQCNNO-UHFFFAOYSA-N 343.810 4.452 0 40 EIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)c(C)c1 225476240 FKPQGXXTQFXVCX-CQSZACIVSA-N 342.464 4.122 0 40 EIAB O=C(Cn1ccc2ccccc21)NCc1ccnc(-c2cccs2)c1 225651487 VQTPMQAEIOCCKD-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB Fc1cccc(CNC(=S)Nc2ccc(Br)cc2)c1 225836515 SGWADAUQQIWHBK-UHFFFAOYSA-N 339.233 4.075 0 40 EIAB COc1cccc(OC)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 225993515 RFLUAKVDANWKCC-ZDUSSCGKSA-N 347.842 4.167 0 40 EIAB O=C(NC[C@@H](O)c1csc2ccccc12)Nc1c(F)cccc1F 585372802 XYGPUUOFZIGMOL-CQSZACIVSA-N 348.374 4.035 0 40 EIAB O=C(CCc1ccccc1)NC[C@H](c1ccsc1)c1ccco1 675007849 VCDDMAQEIAIWRI-QGZVFWFLSA-N 325.433 4.222 0 40 EIAB Cc1nc(C)c(CN2CC(n3c(C4CC4)nc4ccccc43)C2)s1 1888959364 PMISRFNXENXENU-UHFFFAOYSA-N 338.480 4.044 0 40 EIAB O=C(NCCc1ccc(-c2ccco2)s1)NCc1cccs1 2086896901 VRFVQVGFWBFEDS-UHFFFAOYSA-N 332.450 4.112 0 40 EIAB CCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1C 77148 QTCNJMZXJDIMMW-UHFFFAOYSA-N 337.423 4.179 0 40 EIAB O=C(Cc1ccccc1)Nc1cccc(-c2cn3ccccc3n2)c1 79422 MEQWUYZHVSTUSY-UHFFFAOYSA-N 327.387 4.183 0 40 EIAB O=C(Nc1nc(Cl)ccc1Cl)c1nc(Cl)ccc1Cl 254495 FNJVCLOYBWENCD-UHFFFAOYSA-N 336.993 4.343 0 40 EIAB CN(Cc1ccccc1)c1nc(-c2ccccc2)nnc1C(F)(F)F 1390229 BPIWBKLIRYCDME-UHFFFAOYSA-N 344.340 4.194 0 40 EIAB CCc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)cc1 1773457 IAJUOKQZYGCTHL-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1ccc(Cl)cc1 3328270 GPXMVOIKNYTXEQ-JXMROGBWSA-N 335.186 4.433 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1 3427661 SDKNFWINOUYVGT-UHFFFAOYSA-N 337.828 4.402 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 3524205 GRUFDXDVJYGGBR-LBPRGKRZSA-N 338.234 4.386 0 40 EIAB O=C(c1cccc(Cl)c1)N1CCN=C1SCc1ccccc1 4119810 PXOYNVADENGEEZ-UHFFFAOYSA-N 330.840 4.085 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N 4195281 INRPBWOOOGNJSE-ZWJPJJENSA-N 327.468 4.163 0 40 EIAB Cc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(=O)o1 5178229 QUGRCSYHORATJU-UHFFFAOYSA-N 344.436 4.081 0 40 EIAB Cc1nc(CSc2nnc(-c3ccccc3F)n2C2CC2)cs1 5333211 BOQNFMJHDDTZCX-UHFFFAOYSA-N 346.456 4.476 0 40 EIAB O=C(NCCc1cccc(Cl)c1)c1cccc(Br)c1 5671144 HZUMDHJQIVISAY-UHFFFAOYSA-N 338.632 4.075 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCc1cccc(Cl)c1 5679458 CBVMLSLFSFJBOD-UHFFFAOYSA-N 325.795 4.432 0 40 EIAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OC2CCCC2)cc1 5871889 JQYWKTOBQPWMED-RGEXLXHISA-N 333.387 4.353 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1 6510084 XXNIFTAJLOSEIU-UHFFFAOYSA-N 327.428 4.428 0 40 EIAB CCOc1ccc(-c2onc(C)c2-c2ccccc2OC)c(O)c1 6755474 QRWXDNCCNSPAML-UHFFFAOYSA-N 325.364 4.430 0 40 EIAB biogenic Cc1ccc(Sc2ncccc2C(=O)Nc2nccs2)cc1 7654880 OQVSRFNZFSHFDE-UHFFFAOYSA-N 327.434 4.250 0 40 EIAB c1ccc(-c2cnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1 7904168 LBEBKVVEWLNLHK-UHFFFAOYSA-N 338.436 4.438 0 40 EIAB Fc1ccc(-c2cc3ncnc(-n4nnc5ccccc54)c3s2)cc1 8232909 LSOCWRAZQKEEOE-UHFFFAOYSA-N 347.378 4.231 0 40 EIAB Cc1ccc(-c2nnc([C@H](C)Sc3nc(C(C)C)n[nH]3)o2)cc1 9387767 DVMIAAQTAMKOSI-NSHDSACASA-N 329.429 4.140 0 40 EIAB O=C(CSCc1ccccc1)NCCSCc1ccccc1F 10280257 ZJNURNRNLFVABO-UHFFFAOYSA-N 349.496 4.109 0 40 EIAB COc1cc(Cl)c(NC(=O)Cc2ccccc2Cl)cc1OC 11061443 FTCMKBTWGHITIE-UHFFFAOYSA-N 340.206 4.192 0 40 EIAB CSc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)nn1 11791995 ZJPDTUHDTVWJTK-UHFFFAOYSA-N 349.415 4.075 0 40 EIAB Cc1cc([C@@H]2CCCCCN2Cc2coc3ccccc3c2=O)on1 12120287 SGQROHBOHLSZLL-KRWDZBQOSA-N 338.407 4.207 0 40 EIAB COc1ccc(NC(=O)C2(c3cccs3)CCCC2)c(OC)c1 12157604 CEYWKARUXVGVLO-UHFFFAOYSA-N 331.437 4.216 0 40 EIAB CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccc(Cl)cc1)S2 12323394 BVIPMTLFAHVKTM-CYBMUJFWSA-N 336.873 4.343 0 40 EIAB O=C(Cc1ccccc1Cl)N1CCc2[nH]c3ccc(F)cc3c2C1 12407896 AKVXCZKNPQZZFM-UHFFFAOYSA-N 342.801 4.088 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 12791296 OQHNBPQELIZAOL-UHFFFAOYSA-N 345.324 4.452 0 40 EIAB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1F 12813335 WSEANLGDOJUBKM-NSHDSACASA-N 349.431 4.376 0 40 EIAB C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 12820652 LGEUXZVAIDGCSO-LLVKDONJSA-N 343.429 4.300 0 40 EIAB COc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c(OC)c1 16706390 XKPLKIKGPKKHPJ-HANDEYTQSA-N 327.380 4.072 0 40 EIAB CCN(CC)Cc1ccccc1CNC(=O)Nc1cccc(C)c1 18177345 FYZGDUSEYJZZRM-UHFFFAOYSA-N 325.456 4.159 0 40 EIAB COc1cc(NC(=O)c2ccccc2C)ccc1-c1ccc(CO)o1 20137437 BJBKOZRFYDECTJ-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 22524583 AYJXXLCLLKBHNC-CXAGYDPISA-N 329.827 4.301 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc2c(F)cccc2s1)c1cccs1 22687706 PMDFDFOUDXQGFQ-CYBMUJFWSA-N 348.468 4.135 0 40 EIAB Cc1ccc(C)c(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 27925959 HOSMNAHKXAASBO-UHFFFAOYSA-N 348.450 4.428 0 40 EIAB CCn1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(Cl)ccc21 32607821 FTNPYZDMFPJJPF-UHFFFAOYSA-N 344.773 4.066 0 40 EIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2ccnc2)cc1 32826862 IMYOSVBNVGSGEX-UHFFFAOYSA-N 345.855 4.250 0 40 EIAB CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccsc2)cc1Cl 40526878 BAIUJFVASXTLBH-UHFFFAOYSA-N 337.832 4.024 0 40 EIAB CN(Cc1ccc(Br)o1)C(=O)CCCc1ccccc1 46788041 VTZVDXRYCBLEJM-UHFFFAOYSA-N 336.229 4.023 0 40 EIAB Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1 57457733 DXEMLBUTOMBZEO-UHFFFAOYSA-N 330.431 4.313 0 40 EIAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1 57508785 QFOSPGQRYDHJKR-DNVCBOLYSA-N 336.460 4.454 0 40 EIAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 72331307 QFUWECRTJLLSKF-UHFFFAOYSA-N 346.833 4.058 0 40 EIAB COc1ccc2ccccc2c1CNc1cccc(N(C)C(C)=O)c1 72927997 OZQRFESSTZTPJR-UHFFFAOYSA-N 334.419 4.443 0 40 EIAB COc1ccc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 78420523 WRNWOVYZNFICJE-IBGZPJMESA-N 339.439 4.067 0 40 EIAB C[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1nc(C(C)(C)C)cs1 79002596 GNIZBUMOMPYCSE-JTQLQIEISA-N 345.468 4.414 0 40 EIAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](C)c1ccncc1 95948078 JZUUPCJMZHROMU-JKSUJKDBSA-N 333.435 4.226 0 40 EIAB O=C(c1ccc2ncsc2c1)N1CCC(c2cccs2)CC1 96120590 NDSWHLMUHYOMDG-UHFFFAOYSA-N 328.462 4.378 0 40 EIAB O=C(O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 216944920 DNRVMZBHDVSWTP-VOTSOKGWSA-N 337.158 4.310 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 219499664 NSLWZLQPTNDXBT-SJLPKXTDSA-N 341.451 4.366 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(F)cc2)cc1 222783473 QITIMWGVYXJOQH-LJQANCHMSA-N 345.414 4.117 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(C(C)=O)c2)cc1 222884807 OIKMAONSFRXVQV-IBGZPJMESA-N 325.408 4.248 0 40 EIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223209654 ZYSGJBJMQODIIS-SJORKVTESA-N 337.463 4.437 0 40 EIAB CCOc1cccc(CNC(=O)c2ccc(OCC)c(Cl)c2)c1 223289041 WEPSAFXVJZLUHQ-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB CCOc1ccc(C(=O)NCCSCc2ccccc2)cc1Cl 223917511 OYBBNDCDPFUENE-UHFFFAOYSA-N 349.883 4.402 0 40 EIAB COc1ccc(C(=O)NC2CC2)cc1COc1ccc2ccccc2c1 224309669 IXLXRUKKVBSYIZ-UHFFFAOYSA-N 347.414 4.320 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224429600 JHNUYGWGTCGBBR-CQSZACIVSA-N 347.414 4.353 0 40 EIAB Cc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1Cl 225079545 IUNMYADZGWLXFB-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB CC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225592788 QMSSQWBOJRUNQL-UHFFFAOYSA-N 332.488 4.316 0 40 EIAB CCc1cc(N)ccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 226318145 SWIDUDZNEJNADN-UHFFFAOYSA-N 339.222 4.399 0 40 EIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1CC 408555226 FKHXCHBJULFSBS-UHFFFAOYSA-N 339.844 4.102 0 40 EIAB Oc1nc(Cn2ccc3ccccc32)nc2sc3c(c12)CCCC3 408581490 INRQZAZNMQKBAG-UHFFFAOYSA-N 335.432 4.279 0 40 EIAB CSc1ncccc1C(=O)N[C@H](c1ccsc1)c1cccs1 824959802 VNEVDHAXTZXQDS-CQSZACIVSA-N 346.502 4.446 0 40 EIAB Cc1ccc(C(=O)COc2cc3c(C)cc(=O)oc3cc2Cl)cc1 36268 KLMHYCKSMUAZFP-UHFFFAOYSA-N 342.778 4.325 0 40 EIAB biogenic,in-vitro CC(C)c1cc(NS(=O)(=O)c2ccccc2)c(O)c(C(C)C)c1 239864 FXCSOBJGXKQAJS-UHFFFAOYSA-N 333.453 4.440 0 40 EIAB CC1(C)C(=O)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]1C2 352933 IAOSELDKXQRXRF-JDNHERCYSA-N 326.223 4.327 0 40 EIAB CC(C)CCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1321104 KACTZCFJZUDBMJ-LBPRGKRZSA-N 333.501 4.050 0 40 EIAB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 1389516 UURHJBXXGSRUGN-UHFFFAOYSA-N 344.439 4.385 0 40 EIAB COc1ccc(/C=C/C(=O)OCc2ccc(Cl)cc2)cc1OC 1961910 BGOULNUDVGZILW-UXBLZVDNSA-N 332.783 4.114 0 40 EIAB Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)c1 2419398 XEVHGWVKPXDCMN-MRXNPFEDSA-N 329.403 4.441 0 40 EIAB COc1cccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c1 2652507 LJVBCXIUNMIIHN-GOSISDBHSA-N 331.843 4.405 0 40 EIAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1 3220746 IWJWBEIFBBFNSP-UHFFFAOYSA-N 343.386 4.183 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CNc1cccc(Cl)c1 3441280 MVALWARDVKFBJR-UHFFFAOYSA-N 325.195 4.053 0 40 EIAB Cc1csc(NC(=O)CSc2ccc3c4c(cccc24)CC3)n1 3451503 GSUXYTNEVIJFGR-UHFFFAOYSA-N 340.473 4.434 0 40 EIAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(F)c(F)c2)cc1 4120383 MXBAJGXIQQGTBG-UHFFFAOYSA-N 346.402 4.018 0 40 EIAB CCN1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2CCCCC2)C1 4404243 STKLCHRMHCBUCQ-PMACEKPBSA-N 329.484 4.378 0 40 EIAB Nc1nc2ccccc2c(-c2cccc3ccccc23)c1CN1CC1 5777427 ZDTXUDHSHLCXRR-UHFFFAOYSA-N 325.415 4.453 0 40 EIAB Cc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(Cl)cc1)=N2 6281395 HQABQCDZSVIEGD-UHFFFAOYSA-N 346.821 4.477 0 40 EIAB Cc1ccc(Cl)c(NC(=O)COC(=O)[C@@H]2CC=CCC2)c1Cl 6291621 CRBUJURJRBPKRL-LLVKDONJSA-N 342.222 4.140 0 40 EIAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)S[C@H](C)C(=O)N2 6678504 SAIHZMXPSXOMTJ-KRTXAFLBSA-N 342.251 4.188 0 40 EIAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc2ccccc2c1 6943259 CLXBLGMGYXXVIE-HXUWFJFHSA-N 337.444 4.196 0 40 EIAB COC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CCCO[C@@H]21 6950738 MUBLGJMXDPGNKP-DKSSEZFCSA-N 341.382 4.247 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)C1(c2ccc(Cl)cc2)CC1 7216479 ZMPMEAJLILVKMK-INIZCTEOSA-N 327.811 4.012 0 40 EIAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7409072 YMDYJZHNEWXYBX-UHFFFAOYSA-N 345.342 4.003 0 40 EIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCCC1 8133720 YIPNDCPTDQUQPW-UHFFFAOYSA-N 347.846 4.162 0 40 EIAB Cc1ccc(C)c(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 8751024 JWRPPPYSDBMPNJ-FMIVXFBMSA-N 334.419 4.082 0 40 EIAB Cc1nc2sc3c(c2c(-c2ccco2)c1C(N)=O)CC[C@H](C)C3 9884514 BBHKTBBFOXKABX-VIFPVBQESA-N 326.421 4.088 0 40 EIAB CC(C)(C)C1CCC(C(=O)Nc2ccccc2C(=O)NC2CC2)CC1 10027661 COGNUUANFDOVLF-UHFFFAOYSA-N 342.483 4.370 0 40 EIAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12603218 MPAZJCMQXUDEDE-DOJUMQAQSA-N 335.382 4.079 0 40 EIAB Cc1occc1-c1nc(N2CCCCCCC2)ncc1-c1cnccn1 12739031 QYYTXJFILWCWNG-UHFFFAOYSA-N 349.438 4.273 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl 12765398 JDBKYGMUPQZTRF-INIZCTEOSA-N 337.250 4.026 0 40 EIAB COc1cc(OC)c(NC(=O)c2c(F)cccc2Cl)cc1Cl 12771645 MRXXLJWXQGVTEV-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2C)cc1 14091552 ZANFKRWFOGQFSR-UHFFFAOYSA-N 339.464 4.015 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C 14218865 UPANPXPGQPPATL-MRXNPFEDSA-N 331.481 4.466 0 40 EIAB Cc1ccc(Cl)cc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291463 KCPXSJVBUDWXBX-UHFFFAOYSA-N 330.236 4.244 0 40 EIAB C[C@@H]1CCc2c(sc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 15085207 UJBJCNMGWPCYBR-MFKMUULPSA-N 341.432 4.076 0 40 EIAB Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1O 15108349 HBLRBOHZRVDVEI-UHFFFAOYSA-N 346.386 4.205 0 40 EIAB O=C(CC1CCCC1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19294028 NRTKDADWOICHGX-UHFFFAOYSA-N 343.402 4.022 0 40 EIAB C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2cccc3ccccc23)CC1 19851000 NWDHOEOULGWUOX-CBQOVEMMSA-N 332.491 4.170 0 40 EIAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)c(C)c1 19932011 ZIXPRLRONVAHFB-CQSZACIVSA-N 337.872 4.137 0 40 EIAB Cc1cccc(-c2nc(CC(=O)OCc3c(C)noc3C)cs2)c1 21492278 STSHFRLFOSMRBP-UHFFFAOYSA-N 342.420 4.009 0 40 EIAB CC(C)n1nccc1NC(=O)CCCc1nc2ccccc2s1 22289761 IIXJRFISDKXVHB-UHFFFAOYSA-N 328.441 4.035 0 40 EIAB CCc1c(C(=O)N[C@H](C)CCC(C)C)cnn1-c1ccc(F)cc1 24757305 YREYKRKXUNGQPC-CQSZACIVSA-N 331.435 4.128 0 40 EIAB COc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 25321855 QMUDMARQTMFENT-UHFFFAOYSA-N 328.368 4.210 0 40 EIAB CCCC/[S@@](Cc1ccccc1)=N/S(=O)(=O)c1ccccc1 28294404 GYPBAJJLWVNNAG-OAQYLSRUSA-N 335.494 4.178 0 40 EIAB CCN(CC)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 31992894 ZQXNQTAQCNUSFZ-INIZCTEOSA-N 342.464 4.307 0 40 EIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cccs1 40160230 OIURKPCQLNUXNI-UHFFFAOYSA-N 335.450 4.045 0 40 EIAB Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccco2)C2CC2)c(C)c1C 48234546 PKZJQYZSCNLXOY-UHFFFAOYSA-N 347.480 4.175 0 40 EIAB O=C(CCC(=O)N1CCC[C@H]1c1cccs1)c1ccc(F)cc1F 48678976 LPTUVZREWNYOSO-HNNXBMFYSA-N 349.402 4.353 0 40 EIAB Cc1ccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 57413842 VFJUCLBFRIFYPF-UHFFFAOYSA-N 341.414 4.468 0 40 EIAB CC(C)Cn1ccc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 57991004 YXBGEPYNIBSFHY-UHFFFAOYSA-N 346.427 4.237 0 40 EIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)OCC(F)(F)F 58035766 PCXZXUOFJDXKMV-UHFFFAOYSA-N 341.314 4.174 0 40 EIAB in-vitro Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cnc(C(C)(C)C)nc1 58210593 SKVCUHAJGJIVGK-QGZVFWFLSA-N 338.455 4.452 0 40 EIAB COc1ccccc1-c1nc(C(=O)N(C)C2CCCCC2)cs1 58606779 IUDINKOGDRGSEA-UHFFFAOYSA-N 330.453 4.223 0 40 EIAB FC(F)(F)CNC1=NN=C(c2ccccc2)[C@@H](c2ccccc2)S1 63890655 RDNFICAJQOCLJD-OAHLLOKOSA-N 349.381 4.387 0 40 EIAB CCOc1ccccc1CNC(=O)CSc1ccc(Cl)cc1 64762330 RAWDVYQSMKEXRB-UHFFFAOYSA-N 335.856 4.147 0 40 EIAB Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(Oc2ccccc2)cc1 70007604 KFELNSOIZOREAG-BUHFOSPRSA-N 348.402 4.448 0 40 EIAB O=C(NCc1c(-c2ccccc2)nc2ccccn12)Nc1ccccc1 70503741 FYPDRBRIGBACAS-UHFFFAOYSA-N 342.402 4.323 0 40 EIAB COCCn1ccc2c(NC(=O)c3cccc4c3ccn4C)cccc21 70666496 UVOHKOZFQFSQFL-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic CCc1nnc([C@@H](C)Sc2nnc(CCC3CCCCC3)o2)o1 71893969 IEKGUMGPUPWOHN-LLVKDONJSA-N 336.461 4.381 0 40 EIAB COc1cc(C)c([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72218047 AOILNUMYFIHIKY-GOSISDBHSA-N 340.423 4.262 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nn1C 72403562 OUDYNCBUDKXGSZ-UHFFFAOYSA-N 339.826 4.013 0 40 EIAB Cc1c(F)cccc1NC(=O)c1cnn(-c2ccccc2F)c1C 73393482 DAAHYFLYYAQCKU-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB CC(C)Oc1cccc(NC(=O)c2ccc(Br)cc2)c1 78540038 XNQLVUDZQRDMSU-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB CCc1nnc(O)c(-c2nc(-c3cc(F)ccc3F)cs2)c1CC 79108465 SVSRDNDXCUZFTP-UHFFFAOYSA-N 347.390 4.376 0 40 EIAB CN(CCOc1ccc2ccccc2c1)Cc1ccc2c(c1)OCO2 83861030 RXJBUBNQUXNLPH-UHFFFAOYSA-N 335.403 4.079 0 40 EIAB CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(-c2nnco2)c1 84169742 SHRAZZVTFAYZCR-OAHLLOKOSA-N 328.416 4.169 0 40 EIAB C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccsc1 95420532 NDYHAZCKXZDLTB-AWEZNQCLSA-N 340.448 4.122 0 40 EIAB C[C@H](NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)c1cnccn1 95420752 SOALOQDCJYUZLI-INIZCTEOSA-N 338.499 4.094 0 40 EIAB COc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C(C)C)c(F)c1 95473420 NZHYNPNJHMXOOD-HNNXBMFYSA-N 335.404 4.036 0 40 EIAB Cc1cc(N[C@H](C)CCCCN(C)C)ccc1OCC(F)(F)F 95945475 OIXJJQWLENGPLZ-CQSZACIVSA-N 332.410 4.468 0 40 EIAB CS(=O)(=O)c1ccccc1SCc1ccc(F)c2cccnc12 96410926 XTOSDHNKDFNIJF-UHFFFAOYSA-N 347.436 4.070 0 40 EIAB Cc1nc(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)oc1C 96497009 UEQDMDCXWLASHX-KRWDZBQOSA-N 327.428 4.022 0 40 EIAB O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 100750530 ZRXQJXPBDMICKB-SFHVURJKSA-N 340.382 4.368 0 40 EIAB biogenic CCCN(CCC)C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104488979 DSDLSTPXWGGGJD-XFKSJGNHSA-N 325.537 4.091 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C)cc1 113960559 JPGOWCMQYHNRSD-WBVHZDCISA-N 327.424 4.038 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cn2ccnc2)cc1 152118928 XIZPBVIJTKQLJC-JOCHJYFZSA-N 347.462 4.107 0 40 EIAB COC(=O)c1ccc2oc(-c3cccc(Br)c3)nc2c1 216838569 JJHARFCVCDUCGZ-UHFFFAOYSA-N 332.153 4.044 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)COc1ccc(C)cc1 219313402 QMEDMNZZTXADCS-IEBWSBKVSA-N 341.451 4.045 0 40 EIAB O=C(c1ccccc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219313510 XXYVCFJAUCSLER-QGZVFWFLSA-N 333.403 4.285 0 40 EIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 222951960 RXNNVCSCJVMDDX-QZTJIDSGSA-N 342.512 4.237 0 40 EIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c(C)c1 223239504 XDCKWCLXYQSKSL-GOSISDBHSA-N 339.435 4.344 0 40 EIAB COc1ccc(C(=O)NCC(C)C)cc1COc1cc(C)cc(C)c1 224189358 KQLNTBAVGIXORV-UHFFFAOYSA-N 341.451 4.277 0 40 EIAB CCCOCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 224410801 NJGIASOHEVUKQA-UHFFFAOYSA-N 347.842 4.205 0 40 EIAB O=C(NCC1CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 224533846 KRDHYHSCKFAGHC-UHFFFAOYSA-N 348.918 4.249 0 40 EIAB CCCC[C@H](CC)CNC(=O)CCCc1ccc2c(c1)OCCO2 224945216 DNZORBAAZYFIRJ-INIZCTEOSA-N 333.472 4.113 0 40 EIAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1C1CCCC1 225005066 LAMXZUBTCFNGTJ-HZPDHXFCSA-N 329.494 4.058 0 40 EIAB COc1cccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225099651 BPASMGGLIMZAHO-NRFANRHFSA-N 348.398 4.437 0 40 EIAB O=C(CCCC(=O)c1ccccc1)NCc1ccnc(-c2ccco2)c1 225655438 AHXIPPAPJBGCRO-UHFFFAOYSA-N 348.402 4.011 0 40 EIAB COC1(CC(=O)Nc2cccc(Cl)c2Oc2cccnc2)CCC1 252497389 QFLFRGVFHAACBI-UHFFFAOYSA-N 346.814 4.425 0 40 EIAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3)n2)c1 257205981 BBJHOFFARUNJHZ-KRWDZBQOSA-N 349.413 4.236 0 40 EIAB Cc1ncoc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257286368 PLHUOJPEHZPUHR-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB Cc1ncc(-c2ccccc2)cc1N1C(=O)C2(CCCCC2)N=C1O 329342207 ZZONANOPPGUWTM-UHFFFAOYSA-N 335.407 4.021 0 40 EIAB Fc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c(Cl)c1 581039435 RKMMUSLLFHOSOW-QGZVFWFLSA-N 333.838 4.418 0 40 EIAB C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(c2ccnc(Cl)n2)CC1 1615003044 AHTLPFJOOWQIHS-UKRRQHHQSA-N 335.879 4.052 0 40 EIAB Cc1ccc(C(=O)c2cn(CC3CCC3)c3ccc(F)cc3c2=O)cc1 1889056390 WGTBUWYUCCAADZ-UHFFFAOYSA-N 349.405 4.480 0 40 EIAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc3ccccc23)cc1 151398 PGSLNZDMRUXXQG-AWEZNQCLSA-N 349.386 4.032 0 40 EIAB CCc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 351792 YYDTUYLTYKJDPS-UHFFFAOYSA-N 329.407 4.430 0 40 EIAB CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@H](C)CC4 413648 HEAIYNZMUWUHGC-SECBINFHSA-N 332.498 4.309 0 40 EIAB COc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1OC 496519 KPVXZLKBLVNULM-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Fc1ccc(NC(=S)N2CCc3[nH]c4ccccc4c3C2)cc1 535457 FAXQEUBNBWDDQX-UHFFFAOYSA-N 325.412 4.062 0 40 EIAB O=C(Nc1ncnc2sc3c(c12)CCC3)c1cccc(Cl)c1 546161 BKGMTAZEUBPDHF-UHFFFAOYSA-N 329.812 4.086 0 40 EIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccccc1 568796 BNXHYYKNXTUXSU-AWEZNQCLSA-N 342.464 4.092 0 40 EIAB O=C(CSCc1ccccc1)OCc1nc2ccccc2s1 1428338 JNUGUHRFOMWZAX-UHFFFAOYSA-N 329.446 4.273 0 40 EIAB CC(=O)NCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 1565053 KGDPYRVTHYXXQF-UHFFFAOYSA-N 338.432 4.237 0 40 EIAB O=C(CSc1ccccc1F)Nc1ccc(OC(F)F)cc1 3473283 CEQBAYLJATUHBU-UHFFFAOYSA-N 327.327 4.158 0 40 EIAB Cc1sc2ncnc(OCc3nc4ccccc4s3)c2c1C 3599830 VZNOPANLPHWOJI-UHFFFAOYSA-N 327.434 4.497 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062656 JDCWCBUOHRACTG-UHFFFAOYSA-N 340.810 4.270 0 40 EIAB CCc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 4315871 ITBFXTMNCXQMGZ-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1Cl 5446801 PLCBAAFOBRUHFI-APWZRJJASA-N 340.854 4.097 0 40 EIAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1cccc(Cl)c1)n2C 6202289 SALKXNVNTFONJB-HTXNQAPBSA-N 330.840 4.251 0 40 EIAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 7218021 YLWDFANVTVJIGT-ZDUSSCGKSA-N 329.396 4.018 0 40 EIAB CCOc1ccccc1CSc1nnc(-c2ccoc2C)n1C 7236727 SFLBHECAQKMZHP-UHFFFAOYSA-N 329.425 4.075 0 40 EIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1F 7723895 YARAVUSDDVTGHC-UHFFFAOYSA-N 334.322 4.480 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccccn3)ccc2c1 8025280 KBJNKRHRVKXZKK-GJZGRUSLSA-N 334.419 4.224 0 40 EIAB c1ccc2c(c1)oc1c(Oc3ccc(-c4nnco4)cc3)ncnc12 8316093 AMMULFBAKAJSLR-UHFFFAOYSA-N 330.303 4.218 0 40 EIAB CCN(CC)CCC[C@@H](C)Nc1c(C)cnc2cc(OC)ccc12 8581092 KCQTYUFADUWGIA-MRXNPFEDSA-N 329.488 4.474 0 40 EIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)NCc1cccs1 8707408 CIYOMJPGZLYEKT-LBPRGKRZSA-N 328.462 4.093 0 40 EIAB Cc1ccc(OCCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 9154969 ZUHBXRVWACSKHB-LJQANCHMSA-N 349.434 4.004 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2F)c2ccccc12 11613857 XPQAEQXSYQNBRJ-UHFFFAOYSA-N 345.395 4.178 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1F 12534969 QCGKGJULTIMKIZ-UHFFFAOYSA-N 337.379 4.454 0 40 EIAB O=C(NC[C@H]1CCCO1)/C(=C/c1ccccc1Cl)c1ccccc1 13514517 JSGBZMDKRKVIGN-CLEQQJOVSA-N 341.838 4.176 0 40 EIAB CCn1c(Cc2cccs2)nnc1SCc1cccc(F)c1 14112940 QIJKRZGHSCSDHT-UHFFFAOYSA-N 333.457 4.382 0 40 EIAB CCCCc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 14255780 QUDMIGVJMUKXDJ-UHFFFAOYSA-N 325.380 4.108 0 40 EIAB Cc1cc(C(=O)CCC(=O)NCc2ccc(Cl)cc2)c(C)s1 15340334 XEXPDFJHXVQPRO-UHFFFAOYSA-N 335.856 4.298 0 40 EIAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 20039107 QTHVLIFGKJJWFV-CYBMUJFWSA-N 331.437 4.213 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1 20459502 NUJLGHWWNPVQIJ-GFCCVEGCSA-N 338.234 4.419 0 40 EIAB CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccccc3)sc2C1 20897382 ADLMHLFXMDYKIA-ZDUSSCGKSA-N 344.480 4.312 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn(Cc2ccccc2)c1 20897459 SQZXDOFDBCCLJB-UHFFFAOYSA-N 346.217 4.491 0 40 EIAB COc1cccc([C@]2(O)CCCC[C@H]2CN(C)Cc2ccccc2)c1 22050987 BDLHYNRDCFWMAA-RBBKRZOGSA-N 339.479 4.205 0 40 EIAB in-vitro CSCc1c(C(=O)N(C)Cc2ccc(C)o2)oc2ccccc12 24587012 SYQRATNIBOPRLJ-UHFFFAOYSA-N 329.421 4.469 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 24987444 OXKHFJXCCPQAIR-ZIAGYGMSSA-N 346.858 4.432 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCCCC2)cc1 27662483 VMOGOPIFUCAPFH-NRFANRHFSA-N 336.479 4.342 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC(C)C)cc1 30758772 CQNRIMQDVFRLEE-IBGZPJMESA-N 343.423 4.279 0 40 EIAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccncc1 31182596 PAPCDSDTRMHJBB-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCc2ccccc2C1 32801605 QTWNNDZNUHURLF-UHFFFAOYSA-N 347.418 4.106 0 40 EIAB O=C(NCc1ccco1)/C(=C/c1ccc(F)cc1)c1cccs1 32906122 SKIIQTNKILXOFG-LFIBNONCSA-N 327.380 4.337 0 40 EIAB CC[C@H](NC(=O)CCOc1ccccc1)c1ccccc1OC(F)F 40090588 KPEPIMQEKRKRLK-INIZCTEOSA-N 349.377 4.324 0 40 EIAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2)cc1 47583960 BUVSOENKBLFKCZ-UHFFFAOYSA-N 347.802 4.182 0 40 EIAB O=C(CCc1ccccc1O)N[C@H](c1cccs1)C1CCCC1 48290897 OSTOFXWFDQKILW-IBGZPJMESA-N 329.465 4.434 0 40 EIAB COc1ccccc1CNC(=O)NCc1cc2cc(F)ccc2s1 48303541 CWFDAPNMHMMERU-UHFFFAOYSA-N 344.411 4.048 0 40 EIAB C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCC2 56200280 YPWUHQMIKLGGPR-QGZVFWFLSA-N 349.474 4.101 0 40 EIAB CC[C@@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 57574297 ZCRGPQLJBRKMLU-BLLLJJGKSA-N 336.888 4.147 0 40 EIAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)C[C@H](C)c1ccc(F)cc1 58228046 DVYMVHGPUAREMX-LBPRGKRZSA-N 338.386 4.052 0 40 EIAB O=C(Nc1nnc(C2CCC2)s1)c1ccc(Cl)c(Cl)c1 61719555 RERSDXPSCGUWLN-UHFFFAOYSA-N 328.224 4.365 0 40 EIAB Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)cc1 65276913 WSRRXGPKQJSVCK-SFHVURJKSA-N 340.471 4.259 0 40 EIAB CCOc1ccc(NC(=O)[C@H](CC)c2c(C)noc2C)cc1OCC 65585388 LWNAWIDRIGAMRX-OAHLLOKOSA-N 346.427 4.221 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1ccc(C(C)C)cc1 69350447 WJOSKSJDZPBZIL-CQSZACIVSA-N 331.485 4.280 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 72273771 UDCMKNOLKHGTHB-ZACQAIPSSA-N 344.455 4.448 0 40 EIAB CC(C)OC(=O)O[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 72312931 AEQIXAPTDLKUDO-JTQLQIEISA-N 347.396 4.218 0 40 EIAB Cc1nnc([C@H](C)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)o1 79029730 BWXFNNGHKDBJRT-VIFPVBQESA-N 346.774 4.050 0 40 EIAB Cc1ccc2c(-c3ccccc3)nc(-n3nc4ccccc4n3)nc2c1 79098391 BMNDJUZBRVXCEH-UHFFFAOYSA-N 337.386 4.339 0 40 EIAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(OC)c(Cl)c1 80345908 KRLBVYNXZUBBSS-OAHLLOKOSA-N 347.842 4.244 0 40 EIAB O=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@@H]1CCCOC1 87389822 JUJCERULXVTZDW-MRXNPFEDSA-N 337.341 4.023 0 40 EIAB CCSCc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 88390605 UZPHMSIOUDEHNE-MRXNPFEDSA-N 344.484 4.422 0 40 EIAB Cc1ccc(-c2ncco2)cc1NC(=O)NCCc1cccs1 89318673 GGIZYMQLFJHJPC-UHFFFAOYSA-N 327.409 4.076 0 40 EIAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cnn(C(C)(C)C)c1 93276526 GRQVLBXKAWDZKY-LLVKDONJSA-N 336.386 4.141 0 40 EIAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(Nc1ccc3c(c1)COC3)C2 97234040 SPCLUBROZBQLEJ-AYHJJNSGSA-N 344.455 4.059 0 40 EIAB O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccccc1Cl 102604137 NTXHRJAYPLDINI-XHSDSOJGSA-N 339.822 4.413 0 40 EIAB O=C(C[C@@H]1CCCOC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 193377432 YDEFKMPHKBDWAX-ZDUSSCGKSA-N 346.814 4.283 0 40 EIAB Cc1nc(C)c(C(=O)N(Cc2ccsc2)c2cccnc2)s1 193508225 ZOEDRYJMZLCLAR-UHFFFAOYSA-N 329.450 4.063 0 40 EIAB CC(=O)Nc1ccc(C)c(NC(=O)c2cccc3c(C)c(C)[nH]c23)c1 195108540 IXDSNCGKHSNQQR-UHFFFAOYSA-N 335.407 4.304 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 218967360 NMBLMDPXMLYEOL-SFHVURJKSA-N 325.452 4.485 0 40 EIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1 219025050 VJJJYAJUMBPWSW-QGZVFWFLSA-N 333.431 4.356 0 40 EIAB Cc1ccc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 219856161 VKCZKRFIMCAKQG-UHFFFAOYSA-N 342.870 4.181 0 40 EIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC)c3)N21 222641231 AVGZLDJGSSZSAZ-JCGIZDLHSA-N 339.464 4.070 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C 224814038 XCLIWLPFDBWVGL-KRWDZBQOSA-N 337.463 4.438 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccccc1OC 224893435 IIRQRCSCJRCTNF-CRAIPNDOSA-N 327.424 4.038 0 40 EIAB CCOc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225862376 NBRONQGLSRMUCZ-UHFFFAOYSA-N 341.480 4.236 0 40 EIAB Cc1cccc(CN2CCCC[C@H]2c2nnc(-c3ccccn3)o2)c1 257254317 KCOCMBHCVZYAOE-SFHVURJKSA-N 334.423 4.167 0 40 EIAB CC(C(=O)N1CC[C@@]2(CCCOC2)C1)(c1ccccc1)c1ccccc1 501313772 BTXNPCOQKVUYPK-QHCPKHFHSA-N 349.474 4.022 0 40 EIAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(C(C)C)n1 585265784 RIYFDAIVKWAILK-UHFFFAOYSA-N 329.396 4.368 0 40 EIAB Ic1ccc(Oc2cccc3cccnc23)nc1 685937830 VGGDUIUIQISYNY-UHFFFAOYSA-N 348.143 4.027 0 40 EIAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1F 77645 LQVVICXWVGCFNC-UHFFFAOYSA-N 333.322 4.281 0 40 EIAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 246472 BCQXSTMXOWSUGE-UHFFFAOYSA-N 342.489 4.356 0 40 EIAB Cc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 388920 PMZUWBFRTQHEOU-UHFFFAOYSA-N 342.251 4.131 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCC(=O)OC3CCCCC3)o2)c1 415477 XGHDQLVIFREKNI-UHFFFAOYSA-N 346.452 4.321 0 40 EIAB CCC(CC)c1nnc(NC(=O)[C@@H](CC)Oc2ccccc2)s1 804556 QRWPLGHIDAMJMO-CQSZACIVSA-N 333.457 4.238 0 40 EIAB O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccccc1 3171994 IVVYITXRAYWUAQ-OAQYLSRUSA-N 349.817 4.189 0 40 EIAB Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)C(=O)[C@@H]2C)cc1 3344485 PZJYRTKQLVGCTA-LBPRGKRZSA-N 346.789 4.145 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1ncnc2sccc12 3421983 YTFUVTJDFIQBPV-UHFFFAOYSA-N 330.434 4.195 0 40 EIAB O=C(CSc1ncnc2sccc12)Nc1ccc(Cl)cc1 4313399 HXCRIEUNBMXROY-UHFFFAOYSA-N 335.841 4.076 0 40 EIAB O=C(CSc1ccc(-c2ccncc2)nn1)c1ccc(Cl)cc1 4358276 UQQNZAAJHNJTPC-UHFFFAOYSA-N 341.823 4.167 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2ccccc2c1 5439848 YLVWYQDAUSRQIL-UHFFFAOYSA-N 330.387 4.219 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)c(F)c1)C3 5516076 NKGNOOURQSOHLH-UHFFFAOYSA-N 339.366 4.159 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 6154056 ZCBBMPNUBBCHOU-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB Cc1nnc(SCc2nc3ccccc3o2)n1Cc1ccccc1 7734861 AUGRAVZQWGFSPE-UHFFFAOYSA-N 336.420 4.068 0 40 EIAB Cc1ccc(C(=O)[C@H](C)n2nc(-c3ccncc3)oc2=S)cc1 8550036 WLWILLBHYWBMRA-LBPRGKRZSA-N 325.393 4.020 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1 8703868 KKXCSRFSTOPGLV-LLVKDONJSA-N 330.384 4.150 0 40 EIAB c1ccc(SCCOCCN2CCCC[C@H]2c2cccnc2)cc1 8744434 UIMVARSOZJNXHS-FQEVSTJZSA-N 342.508 4.418 0 40 EIAB biogenic O=C(Nc1nc2ccccc2s1)c1ncc(-c2ccc(F)cc2)o1 9321882 CCIKMBPBZRGTPR-UHFFFAOYSA-N 339.351 4.343 0 40 EIAB COc1ccc(COC(=O)/C=C/c2ccc3ccccc3n2)cc1F 9493926 BKJUDIXLKAKWHW-PKNBQFBNSA-N 337.350 4.139 0 40 EIAB CC(C)c1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 11915751 ZABKTBOCPBELIC-UHFFFAOYSA-N 348.815 4.222 0 40 EIAB CC[C@H]1c2cccn2CCN1Cc1cnn(Cc2ccccc2)c1C 12188602 FCPWVHPLDTXTJG-FQEVSTJZSA-N 334.467 4.008 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1 12414357 WOLRDUYFCRAXBG-QGZVFWFLSA-N 347.418 4.182 0 40 EIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13689138 WUJRXGZUNZUOTP-CQSZACIVSA-N 349.386 4.032 0 40 EIAB Cc1n[nH]c(Sc2nc(C)nc3scc(-c4ccccc4)c23)n1 14136180 YOBIOCCFGVYMFD-UHFFFAOYSA-N 339.449 4.244 0 40 EIAB COc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 15649368 QWIHSJHTLQIQSC-UHFFFAOYSA-N 347.414 4.307 0 40 EIAB O=C(NCc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 16694919 UWNYWHPGQSDMEF-UHFFFAOYSA-N 341.414 4.011 0 40 EIAB COc1cc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc(OC)c1 17071910 MJQGSFGBJGDCHG-CQSZACIVSA-N 344.480 4.368 0 40 EIAB Cc1nn2c(O)cc(-c3cccnc3)nc2c1-c1ccc(Cl)cc1 19582058 HIDMUBXQKYDCEN-UHFFFAOYSA-N 336.782 4.126 0 40 EIAB O=C(O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1O 20139500 PEILNTJYNMEVPA-UHFFFAOYSA-N 347.779 4.211 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20143931 XCBZMQCWHXBHPK-UHFFFAOYSA-N 347.798 4.179 0 40 EIAB CC(C)CCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 23410339 AQIHOFYBFAVTBI-UHFFFAOYSA-N 336.479 4.021 0 40 EIAB O=C(NCc1ccccc1CN1CCCC1)Nc1cccc(Cl)c1 24367205 HIBWMKMFEJUOQS-UHFFFAOYSA-N 343.858 4.258 0 40 EIAB C[C@H](NC(=O)c1ccccc1OCc1ccccc1Cl)C1CC1 25770954 TZPDVHDLQWJDJS-ZDUSSCGKSA-N 329.827 4.447 0 40 EIAB CCn1cc(Cl)c(C(=O)Nc2ccccc2-c2ccccc2)n1 28222696 LTNLDGPOBQERMK-UHFFFAOYSA-N 325.799 4.476 0 40 EIAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c2cccnc12 32593288 FTENDGBYSBKOKR-MDWZMJQESA-N 348.402 4.294 0 40 EIAB COC(=O)c1c(O)cccc1CCc1ccc(Cl)cc1Cl 35973625 JXQJOPWRSZPKGK-UHFFFAOYSA-N 325.191 4.271 0 40 EIAB O=C(Nc1sccc1-c1nc2ccccc2s1)c1cnccn1 38493101 RTDHMAQBCSHYRD-UHFFFAOYSA-N 338.417 4.067 0 40 EIAB O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1ccsc1 40107711 PZUQQOHCPJEZNR-SNVBAGLBSA-N 326.215 4.081 0 40 EIAB O=C(c1cccc(OCc2cccnc2)c1)N(Cc1ccco1)C1CC1 44475316 XBYYNOGOYQWTDE-UHFFFAOYSA-N 348.402 4.058 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(Cl)s1 48225855 DUGPLGJESHGALS-UHFFFAOYSA-N 346.839 4.033 0 40 EIAB Cc1nc(CNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cs1 56739019 ZJULNSSTYZAFMO-UHFFFAOYSA-N 342.424 4.045 0 40 EIAB Nc1nc(CSc2ccc(O)cc2)nc2sc3c(c12)CCCC3 64037838 MXJJGQQOOLPSPL-UHFFFAOYSA-N 343.477 4.150 0 40 EIAB CCCCC[C@@H]1O[C@H]1[C@@H](O)/C=C\CCCCCCCC(=O)OC 64220128 KUCGUAVQKWTIDU-HEBKPLCQSA-N 326.477 4.155 0 40 EIAB Cc1ncc(CN(C)c2ncnc3sc4c(c23)CC[C@H](C)C4)s1 65493217 BCGSWBCBLYVRMZ-JTQLQIEISA-N 344.509 4.217 0 40 EIAB CSc1nnc(SC[C@@H]2CC(C3CCCCC3)=NO2)s1 69743617 IIDULGGEFZDAMV-JTQLQIEISA-N 329.516 4.077 0 40 EIAB O=C(Nc1cccc(OC(F)F)c1)[C@@H](c1ccccc1)n1cccc1 70636928 GWOKJHIWJTZVHS-QGZVFWFLSA-N 342.345 4.318 0 40 EIAB CCC(CC)NC(=O)c1cc2sc(N(CC)CC)nc2s1 71965731 XPYDSURYNKRPMN-UHFFFAOYSA-N 325.503 4.122 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c(C)n1 72270516 UCJNRHGOYPEAIU-MRXNPFEDSA-N 349.434 4.246 0 40 EIAB O=C(CCn1ccc2c(Cl)cccc21)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 72405233 OAUQYNNDDHBWLQ-ILXRZTDVSA-N 328.843 4.013 0 40 EIAB O=C(NCc1cccs1)N(CCc1cccs1)Cc1ccco1 75154770 QTGYYIPGVSNALW-UHFFFAOYSA-N 346.477 4.357 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 77711867 WGHKCCUAPKIHMY-IBGZPJMESA-N 349.438 4.477 0 40 EIAB Cc1cc(C)nc(SCc2ccc(C(=O)NC3CCCCC3)o2)n1 79474130 XCQCJCFPOJBXNE-UHFFFAOYSA-N 345.468 4.041 0 40 EIAB C[C@@H](c1ccncc1)N(C)CC(=O)Nc1cccc(Cl)c1Cl 89910226 WCKYRCPUVMJZCF-NSHDSACASA-N 338.238 4.020 0 40 EIAB CCc1cc(=O)c2cc(NC(=O)[C@H](CC)c3ccccc3)ccc2[nH]1 95465060 OIMKGYKPOXSZPP-QGZVFWFLSA-N 334.419 4.223 0 40 EIAB Cc1[nH]c2ccc(CNCc3ccc(N4CCCC4)nc3)cc2c1C 95965333 WNCXSLNHDJGAIA-UHFFFAOYSA-N 334.467 4.070 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)c(C)c1 100548617 JYCRFHOUJNWOOZ-QGZVKYPTSA-N 335.447 4.319 0 40 EIAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102789497 YYDJJHKWQILILX-JOCBIADPSA-N 342.483 4.114 0 40 EIAB COc1cc(SC)ccc1NC(=O)c1c(F)cc(F)cc1F 192972329 UONCODOUKDTXLH-UHFFFAOYSA-N 327.327 4.087 0 40 EIAB O=C(Cc1ccccc1)Nc1c(-c2cccs2)nc2ccccn12 195431981 BRQMPMNEUOXHMA-UHFFFAOYSA-N 333.416 4.244 0 40 EIAB O=C(NCc1ccc(F)cc1)N1CCS[C@H](c2ccccc2)CC1 211145116 MQKNOSGIIUZYGW-SFHVURJKSA-N 344.455 4.216 0 40 EIAB Cc1cc(Cl)cnc1NC(=S)NCc1ccccc1Cl 223933699 GWGIMGHKWVTYKM-UHFFFAOYSA-N 326.252 4.183 0 40 EIAB Cc1cccc(OCCNC(=O)COc2ccccc2C(C)C)c1C 223963009 FSLPRTSPCAZCII-UHFFFAOYSA-N 341.451 4.001 0 40 EIAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1ccccc1Cl 225248816 RAIURFOOSFYKGU-OQLLNIDSSA-N 334.828 4.132 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccccc1OC 225885497 NJEFLWHPVKYTCA-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(F)cc1 226254834 HFXBXKDQILIPNQ-ZDUSSCGKSA-N 327.403 4.039 0 40 EIAB CC1CCN(C(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)CC1 227154432 HIYOPUIXLGEMFQ-UHFFFAOYSA-N 345.874 4.242 0 40 EIAB CCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 257211653 BZSQTJRWUOYMTO-OAHLLOKOSA-N 341.430 4.389 0 40 EIAB O=C(CCCCBr)c1ccc(Br)c(F)c1 389313803 CVWQTMFORGSHQB-UHFFFAOYSA-N 338.014 4.336 0 40 EIAB CC(C)(C)OC(=O)c1ccn(Cc2ccc(Cl)cc2Cl)n1 408717511 DRVFLGFEKZURJG-UHFFFAOYSA-N 327.211 4.194 0 40 EIAB O=C(CCc1ccccc1)NCCSCc1cccc(Cl)c1 409182364 KJBHKJAZTWAQSS-UHFFFAOYSA-N 333.884 4.322 0 40 EIAB Clc1cccc(Oc2ccc(I)cn2)c1 685937779 QZIDETIPEALIMH-UHFFFAOYSA-N 331.540 4.132 0 40 EIAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)[C@H]2CC=CCC2)C1 1889149123 ROTHRTNXEBXKFO-HNNXBMFYSA-N 337.467 4.073 0 40 EIAB CC(C)(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 69118 CVYFLSMPHNMBKE-UHFFFAOYSA-N 330.240 4.497 0 40 EIAB O=C1c2[nH]nc(-c3ccco3)c2[C@@H](c2ccccc2)N1c1ccccc1 104205 ZWSKNVBMENBWGN-HXUWFJFHSA-N 341.370 4.420 0 40 EIAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3nccs3)nc2c1 412486 YAJUSDFRKQENLT-UHFFFAOYSA-N 343.477 4.347 0 40 EIAB CCC(=O)N(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 413029 METQRGPRHIXRLP-UHFFFAOYSA-N 348.446 4.084 0 40 EIAB Cc1cc2cccc(C)c2nc1SCC(=O)NC1CCCCC1 420659 PKPGIXDIDUVKDQ-UHFFFAOYSA-N 328.481 4.393 0 40 EIAB CCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc2c1 490847 JONASZRDMCTJAC-UHFFFAOYSA-N 326.348 4.301 0 40 EIAB biogenic CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(O)ccc12 1270154 QBDKJRQSBFOZQD-UHFFFAOYSA-N 329.783 4.475 0 40 EIAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 1336321 KVXXRVKZSKFWAL-UHFFFAOYSA-N 345.801 4.214 0 40 EIAB Cc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(C)C 2562024 BRJIFGOUURVKSU-UHFFFAOYSA-N 340.448 4.467 0 40 EIAB CC[C@@H]1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1 3359651 XCHNDSPZKBUROJ-CYBMUJFWSA-N 329.465 4.202 0 40 EIAB Cc1ccc2nc(NC(=O)COc3ccc(C)c(C)c3)sc2c1 3592192 NMFWJRXVKMBSNZ-UHFFFAOYSA-N 326.421 4.239 0 40 EIAB CCC(CC)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 4078273 CBHGMEAEDWABMA-UHFFFAOYSA-N 339.461 4.344 0 40 EIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(F)cc3)cc21 5136352 QOLZUEBEZUKMTN-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB COc1cc(C=O)c(Br)cc1OCc1cccc(C)c1 5755058 URQMJHYQCNMDJK-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1 5938476 DCZNGUMIZLEFRY-UHFFFAOYSA-N 326.827 4.113 0 40 EIAB CCCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1 6654371 GAKXATZEPHAVEE-UHFFFAOYSA-N 327.815 4.281 0 40 EIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1 6752963 FBFBQHZGCORLBG-HXUWFJFHSA-N 347.418 4.128 0 40 EIAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1C 7850041 JAXMCNBGGCIIKU-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1cccc(Cl)c1 8071196 ANETYWLFDRAUAL-UHFFFAOYSA-N 342.704 4.093 0 40 EIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 8498081 ZDZZSGFKPPCJJX-OAHLLOKOSA-N 325.742 4.414 0 40 EIAB CC(C)n1ncc2cc(NC(=O)/C=C/c3ccc(Cl)s3)cnc21 10763844 VGHGWPYGDAWQSG-GQCTYLIASA-N 346.843 4.379 0 40 EIAB CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1cc(C)nc(C)n1 12016744 YIUHPLFJVLUTAB-CYBMUJFWSA-N 329.469 4.084 0 40 EIAB CCc1sc(NC(=O)[C@@]2(C)CCCO2)nc1-c1ccc(F)cc1 12191841 VTHFDJKXZHKGLG-QGZVFWFLSA-N 334.416 4.019 0 40 EIAB O=C(NC1CC1)[C@H](Sc1nc(-c2ccccc2)c[nH]1)c1ccccc1 12794632 AIHVHTLDVIMPIN-GOSISDBHSA-N 349.459 4.189 0 40 EIAB O=C(CCCc1nc2ccccc2s1)N[C@@H]1CCc2ccccc21 12906980 HMFZGJFUKJTDCD-MRXNPFEDSA-N 336.460 4.423 0 40 EIAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccccc1 12918618 YFCVDYHJGQKGCG-IBGZPJMESA-N 340.423 4.205 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)o1 12996903 QAZDMPJTQPKSRM-UHFFFAOYSA-N 346.795 4.244 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3)cc2)cs1 12998240 UFRQZRIXCGBJQU-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)nc2ccccc21 13298041 SICXNSGIJAQIBB-QLFBSQMISA-N 345.512 4.326 0 40 EIAB O=S(=O)(Cc1ccccc1Cl)NCCC1CCCCCC1 13670771 UEQCCOBQQXYCES-UHFFFAOYSA-N 329.893 4.120 0 40 EIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc2ccccc2[nH]1 14128808 DJXWZTJYYMMWJM-UHFFFAOYSA-N 339.483 4.087 0 40 EIAB Cc1cc(=O)oc2cc(OC(=O)CCCc3cccs3)ccc12 15078860 HQPLDMCGPSIPEE-UHFFFAOYSA-N 328.389 4.091 0 40 EIAB COc1cc(/C=C(\C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O 15264761 OPAORDVBZRVVNQ-KADHNRKRSA-N 328.408 4.397 0 40 EIAB biogenic,in-vitro CCc1ccccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 15604644 ZBHQEZUZENIXDB-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 15608656 LPYWMBQZQIGTME-JWAFFJSPSA-N 340.398 4.006 0 40 EIAB O=C(/C=C/C(=O)Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 16978856 COWKKVFNJVMJNI-MDZDMXLPSA-N 337.158 4.061 0 40 EIAB C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1 17959566 XTQYNQKFJWLEJM-AWEZNQCLSA-N 339.826 4.076 0 40 EIAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCCC1 18337761 QBVSZOYIRYRMNH-JTQLQIEISA-N 332.391 4.030 0 40 EIAB COc1ccc(CCNCc2ccc(Cl)c(Cl)c2)cc1OC 22074713 ABEXWHPAGAJPDC-UHFFFAOYSA-N 340.250 4.343 0 40 EIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccccc1 22237636 LWWUHKPXNYLJJP-UHFFFAOYSA-N 337.448 4.149 0 40 EIAB O=C(CCC(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2 22374709 UMGXSRLYZMFPGW-UHFFFAOYSA-N 328.437 4.014 0 40 EIAB CC(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 25314001 SFHAZWKCHKTJDN-UHFFFAOYSA-N 348.450 4.100 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cccc(Cl)c1 27663917 QCXVOOGYCYABML-INIZCTEOSA-N 348.899 4.359 0 40 EIAB COc1c(Br)cc(Cl)cc1NCc1c(C)noc1C 29400711 YGNDLJPXFDYQNP-UHFFFAOYSA-N 345.624 4.328 0 40 EIAB O=C(Nc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl 32609999 RJHOTGRZNRBLRG-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB C[C@@H](NC(=O)CCn1cnc2ccccc21)c1cccc2ccccc12 32768649 OTCKXSHJPGTLGE-MRXNPFEDSA-N 343.430 4.457 0 40 EIAB Cc1ccccc1NCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 33845641 XRZBRFLOEPAALP-MHWRWJLKSA-N 342.395 4.240 0 40 EIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 38753784 LJJPKTOMLALQJP-HNNXBMFYSA-N 337.778 4.284 0 40 EIAB CC[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1OC(F)F 40089087 VDEOPPVJCIWFDK-CQSZACIVSA-N 341.304 4.447 0 40 EIAB CSc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478374 OZKYHHATVFRKHF-UHFFFAOYSA-N 327.384 4.190 0 40 EIAB CC(C)(C)c1ccc(O)c(NC(=O)c2c(Cl)nc3ccccn23)c1 45010777 VYLTWFHZPFGWGI-UHFFFAOYSA-N 343.814 4.243 0 40 EIAB CCCOc1ccc([C@H](C)NC(=O)c2ccnc(Cl)c2)cc1OC 48374972 DDOOAPDVTWNYAQ-LBPRGKRZSA-N 348.830 4.023 0 40 EIAB Cn1cccc1CN(Cc1cccs1)C(=O)Nc1cccs1 49026683 YQGAHOVDROAVJN-UHFFFAOYSA-N 331.466 4.382 0 40 EIAB CN(Cc1ccco1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 57748230 OWYPVJXHQCFLKV-IBGZPJMESA-N 338.382 4.231 0 40 EIAB CCOC1CCN(C(=O)c2csc(-c3ccc(C)cc3C)n2)CC1 58264968 JIFSBCMMIFUJNE-UHFFFAOYSA-N 344.480 4.068 0 40 EIAB Cc1ccc2oc(/C=C/C(=O)Nc3ccc4oc(=O)ccc4c3)cc2c1 67339678 CEYPTFXUIFAEFW-VMPITWQZSA-N 345.354 4.500 0 40 EIAB CCOC(=O)Nc1cccc(NC(=O)NC[C@H]2CC=CCC2)c1C 69183391 CKDKLFDABXGTQK-AWEZNQCLSA-N 331.416 4.041 0 40 EIAB CC1CCC(C)(NC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 69452762 MXGVKSHFGZWZBU-UHFFFAOYSA-N 341.455 4.144 0 40 EIAB O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1c1ccccn1 69516325 JNCZHBRKJRKJJB-NVXWUHKLSA-N 348.368 4.481 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2cnn(C)c2C)S1 71288909 JFZZGPSDKGTJES-OAHLLOKOSA-N 345.472 4.022 0 40 EIAB Cc1csc(-c2cccc(NC(=O)N(C)Cc3ccncc3)c2)n1 71855069 BYVHEGGSIPKMDB-UHFFFAOYSA-N 338.436 4.177 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc2ncccc2c1 75584155 UGONRJAKCQVJCX-LJQANCHMSA-N 334.467 4.354 0 40 EIAB CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@@H](C)c1ccncc1 76019110 DIDWNSUOWSGQMT-INIZCTEOSA-N 349.434 4.279 0 40 EIAB CCN(C(=O)N[C@@H](C)c1c(F)cccc1OC)[C@H](C)c1cccnc1 78946991 NZJRMVOQOGOZRN-UONOGXRCSA-N 345.418 4.083 0 40 EIAB COC(=O)c1ccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89404538 FTTOHZCVYFSZIA-UHFFFAOYSA-N 346.430 4.244 0 40 EIAB Cc1c(C(=O)N[C@H](CC(C)C)c2ccccc2)sc2nccn12 89565357 GSTZZHNZLVXTTG-OAHLLOKOSA-N 327.453 4.221 0 40 EIAB O=C(CCN1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCCCC1 95349849 TXBDSNOKOVACMM-QFIPXVFZSA-N 348.490 4.037 0 40 EIAB O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2 95465830 KRZVRDZRQQNTEJ-IBGZPJMESA-N 337.394 4.127 0 40 EIAB O=C(c1cncnc1-c1ccccc1)N1CCC[C@]2(CC=CCC2)C1 95986371 CCMFTGGSVNGSRF-OAQYLSRUSA-N 333.435 4.106 0 40 EIAB O=C(NCc1ccccc1-c1ccsc1)c1ccc2[nH]cnc2c1 96122925 CXSVUIXVTXNOFR-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2csc(C)n2)c1C 96404549 WKUJAQYYHSKYGE-QFIPXVFZSA-N 335.494 4.028 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCc1cccc(OC(C)C)c1 113954518 ZYQVYKVERFSWCN-MRXNPFEDSA-N 341.451 4.120 0 40 EIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1cc(C)ccc1C 113959296 XVPAMWWEWCYROL-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 216328101 GBWJFWBJLKXNOV-QGZVFWFLSA-N 341.451 4.081 0 40 EIAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1Cl 224131233 ALRWGQICBZEYDK-UHFFFAOYSA-N 347.842 4.313 0 40 EIAB CCCCOCc1cc(C(=O)N2CCCCCC2)ccc1OCC 224729978 XINKUPZWMBTTLV-UHFFFAOYSA-N 333.472 4.418 0 40 EIAB COc1ccc(NC(=S)NCCSC(C)(C)C)c2cccnc12 225353031 OUUBTUPRRYOABO-UHFFFAOYSA-N 349.525 4.062 0 40 EIAB CC1(C)C[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)c2ccccc2O1 562843969 ZJMKLOWCRPBUHM-AWEZNQCLSA-N 346.390 4.306 0 40 EIAB CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(C(F)(F)F)c1O 622637928 JZGCLOKXMVXMTF-INIZCTEOSA-N 329.362 4.452 0 40 EIAB CC(C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 102961 VBBAEKFILYUUPW-UHFFFAOYSA-N 337.514 4.263 0 40 EIAB COc1ccc([C@@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1F 494963 MYLHJWVTMYGUNH-GHTZIAJQSA-N 343.442 4.137 0 40 EIAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(C)cc1C 570438 OAWRQGPXFMCWDX-UHFFFAOYSA-N 326.465 4.301 0 40 EIAB CN1CCCC[C@@H]1CCc1ccccc1NC(=O)c1ccc(O)cc1 2021953 QMHJFCPHRGVEAF-GOSISDBHSA-N 338.451 4.061 0 40 EIAB O=C1c2ccccc2C(=O)N1CCSCc1cccc2ccccc12 2626334 FSBWGIZKCXPDQG-UHFFFAOYSA-N 347.439 4.369 0 40 EIAB c1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2cccs2)cc1 3372061 HBLJOAFFIFAIGI-CQSZACIVSA-N 343.477 4.267 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 3897019 PSUFFXCPQPFDLU-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccc(Cl)cc1 4357959 UUQCNAPTAPVCHX-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB Cc1ccc(-c2nn(CN(C)Cc3ccccc3)c(=S)o2)cc1 4549725 NRCXXWBAAOIUFN-UHFFFAOYSA-N 325.437 4.271 0 40 EIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 4679682 KXQWRQYNTOSVIL-UHFFFAOYSA-N 348.373 4.384 0 40 EIAB CC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2)c1 4696244 XAAKFVUFWHOZJM-LJQANCHMSA-N 336.435 4.344 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 4850546 RCHQPPCBZUFKGC-UHFFFAOYSA-N 348.446 4.072 0 40 EIAB Cc1ccc2cc(CN(C(=O)C(C)(C)C)c3ccccc3)c(=O)[nH]c2c1 5026598 BMEMJKBDZYZRIC-UHFFFAOYSA-N 348.446 4.416 0 40 EIAB COc1ccc(C(=O)COC(=O)c2cc3ccccc3s2)cc1F 5088330 QMVWAWQWXILPAE-UHFFFAOYSA-N 344.363 4.089 0 40 EIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1cccs1 5256503 DECHDCSDJCOPET-QGZVFWFLSA-N 341.411 4.326 0 40 EIAB Cc1ccc(N2N=C(c3ccc(Br)cc3)CCC2=O)cc1 5505683 QMUOWXJYDYHHLJ-UHFFFAOYSA-N 343.224 4.289 0 40 EIAB O=S(=O)(Nc1ccccc1)c1ccc(Oc2ccccc2)cc1 5598889 BFRRYHLSNRRORN-UHFFFAOYSA-N 325.389 4.280 0 40 EIAB Cc1ccc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)o1 6216191 YVZOBAFRJANWPH-ZSOIEALJSA-N 346.180 4.003 0 40 EIAB Cc1csc2nc(CSC/C=C/c3ccccc3)cc(=O)n12 6509964 FKCUDEROAILDBA-VMPITWQZSA-N 328.462 4.011 0 40 EIAB Cc1ccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)cc1 6748943 YESGXCLGUWXRRC-UHFFFAOYSA-N 329.359 4.299 0 40 EIAB COc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)cc1 6789022 BMQSMCRRFLLDLU-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB CCn1c(SCc2coc(-c3cccs3)n2)nnc1C1CC1 7618579 XRLMQMJREXDPQZ-UHFFFAOYSA-N 332.454 4.184 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC(C)C)cc1 8041135 YWTRUSORYAZINK-QGZVFWFLSA-N 331.387 4.409 0 40 EIAB O=C(CCCSc1nc(-c2cccs2)n[nH]1)c1ccc(F)cc1 8230961 ZIZAGUUVFYBIIR-UHFFFAOYSA-N 347.440 4.428 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(Br)c(C)c1 9141680 KLFYEFIPOIEJBS-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB Cc1cc2ccccc2n1CC(=O)N(Cc1ccc(F)cc1)C1CC1 9379195 WIFKEILQWBROJA-UHFFFAOYSA-N 336.410 4.280 0 40 EIAB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 11288409 FGAOFKRTDYOELY-GXDHUFHOSA-N 326.783 4.203 0 40 EIAB CCn1nc(C)cc1C(=O)Nc1nc2c(C)ccc(Cl)c2s1 11696043 LCJRXOJPMDUENS-UHFFFAOYSA-N 334.832 4.035 0 40 EIAB COc1ccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 11914633 NBOOXFIZNTYQMQ-UHFFFAOYSA-N 332.403 4.246 0 40 EIAB Cc1cc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccc1F 12789879 SAMLHHATWRJRRW-UHFFFAOYSA-N 349.409 4.127 0 40 EIAB Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1 12862792 VFFSQUJNMVBDTL-UHFFFAOYSA-N 326.783 4.485 0 40 EIAB COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)O)ccc1C 13169675 VEAKLQYUKAFCDT-UHFFFAOYSA-N 335.359 4.107 0 40 EIAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC2CCCCC2)CCCC1 13635190 AXYFCRIRLKSCRR-GOSISDBHSA-N 340.511 4.112 0 40 EIAB CCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccccc21 18232849 VUSOJQWIMOLUFS-UHFFFAOYSA-N 333.313 4.327 0 40 EIAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C(=O)c1ccccc1 19142692 CWJXZAKUNYXMLF-MHWRWJLKSA-N 348.383 4.045 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141708 WGODNIDSQGDSPI-UHFFFAOYSA-N 337.375 4.090 0 40 EIAB O=C(CSCc1ccccc1Br)N1CCCCCC1 20238145 DASAVMWIUACUBN-UHFFFAOYSA-N 342.302 4.085 0 40 EIAB COc1ccc([C@H](CNC(=O)C(C)C)c2c[nH]c3ccccc23)cc1 23573124 MNNWQVZQAQNJCE-SFHVURJKSA-N 336.435 4.081 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1cccc(Nc2ncccn2)c1 24551801 OQAOWXJAIKDUKO-UHFFFAOYSA-N 338.798 4.434 0 40 EIAB COc1ccc2cc(CN(C)C[C@@H](O)c3ccc(F)cc3)ccc2c1 25233942 ZTYGYUPNRBOFLG-OAQYLSRUSA-N 339.410 4.153 0 40 EIAB CC(C)COCCCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 26264664 FLBZDEACIJOBTB-HNNXBMFYSA-N 332.444 4.198 0 40 EIAB Cc1cc([C@@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3[nH]2)no1 29249855 CEGUZWIJJLUFSJ-INIZCTEOSA-N 329.787 4.095 0 40 EIAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1C 30847259 OXVLJTZLDXILAP-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB CC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1OC(F)F 30904747 HPENNPCVIRNKFG-KRWDZBQOSA-N 348.393 4.487 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 30986854 ASJVLBMXGNBBBI-IUODEOHRSA-N 328.378 4.126 0 40 EIAB Cc1cn(S(=O)(=O)c2cc(C)c(C)cc2C)c(-c2ccccc2)n1 32603655 BHKJUVOCZFKLFR-UHFFFAOYSA-N 340.448 4.021 0 40 EIAB O=C(OCc1nc2ccccc2s1)c1ccc(C(F)(F)F)cn1 32903363 HKUMKEIDWBLWDJ-UHFFFAOYSA-N 338.310 4.067 0 40 EIAB O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1ccsc1 32931107 BBSIUJQVKWJHPC-AWEZNQCLSA-N 336.254 4.488 0 40 EIAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 36635872 MPKMHRBPYIVBGF-CQSZACIVSA-N 349.217 4.046 0 40 EIAB CN(C)[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccsc1 38673306 ACOSDVGQGJRCLJ-HNNXBMFYSA-N 348.537 4.041 0 40 EIAB O=C(NCCSc1nc(-c2ccccc2)c[nH]1)Nc1cccs1 38679810 DPHPBXYOFHDMIQ-UHFFFAOYSA-N 344.465 4.052 0 40 EIAB CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832246 TXMJCTOEONBPQY-GXTWGEPZSA-N 343.298 4.120 0 40 EIAB COc1cc2c(cc1Br)CCN(C)C[C@@H]2c1ccccc1 39342380 TVPROERJSGRCGZ-MRXNPFEDSA-N 346.268 4.078 0 40 EIAB CCOc1ccccc1-c1noc(CNc2ccc(F)c(F)c2F)n1 40057076 FEGZQGIEJAYQTE-UHFFFAOYSA-N 349.312 4.165 0 40 EIAB CSc1nc(C(C)C)nc(C)c1C(=O)Oc1ccc(C(C)=O)cc1 40058316 FGNJFOIBHDLCJT-UHFFFAOYSA-N 344.436 4.052 0 40 EIAB Cc1nc(CSCCC(=O)Nc2cccc3cccnc23)cs1 40069627 MWGQREPCQKOLIL-UHFFFAOYSA-N 343.477 4.262 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2ccc(F)cc2)C1 40267928 VFWBSZPRWYBQGN-ZDUSSCGKSA-N 343.308 4.413 0 40 EIAB CC(C)[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 40466370 IPFLOEVCTXTNNP-GOSISDBHSA-N 325.387 4.363 0 40 EIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C 41076981 QRFAEWUDVAYPGO-UHFFFAOYSA-N 349.434 4.199 0 40 EIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccccc1 44843883 OZVWSGMIRJNHJW-IBGZPJMESA-N 325.452 4.210 0 40 EIAB CC(C)(C)c1nc(CN(Cc2ccco2)Cc2cccs2)no1 45810429 PPXINIPWMVIZEE-UHFFFAOYSA-N 331.441 4.224 0 40 EIAB C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1nc2ccccc2[nH]1 46322315 XFFCYCZGLKQUBU-JTQLQIEISA-N 338.798 4.189 0 40 EIAB COC(=O)N(C)c1ccccc1C(=O)Nc1ccc(Cl)cc1C 58030144 SBTSJSGVZKNELI-UHFFFAOYSA-N 332.787 4.103 0 40 EIAB CCc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)s1 58356085 URPVFKOMZRMCBZ-UHFFFAOYSA-N 347.461 4.299 0 40 EIAB Cc1ccc(OCCCC(=O)NCCSCc2ccccc2)cc1 60906667 YPVRXKYBQRSUBK-UHFFFAOYSA-N 343.492 4.204 0 40 EIAB CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c[nH]nc2C2CCCCC2)C1 67886329 VPXUPSSYONFEKJ-AOIWGVFYSA-N 347.503 4.228 0 40 EIAB CC(C)c1nc(CCNC(=O)CCc2c[nH]c3ccccc23)cs1 69493996 FUGQWEQDWOGVPG-UHFFFAOYSA-N 341.480 4.039 0 40 EIAB O=C(C1CCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 72380266 VNJSZWPBWFNXRR-GOSISDBHSA-N 341.430 4.460 0 40 EIAB Cc1cccc([C@H]2CCCN2C(=O)Nc2cnn(CC(F)F)c2)c1C 72546745 LTEGVYKAOIQUIR-MRXNPFEDSA-N 348.397 4.134 0 40 EIAB CC(C)[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 75572515 CSNQEJBNULUUJS-SFHVURJKSA-N 332.488 4.373 0 40 EIAB CCSc1cc(C(=O)NC[C@@H]2CCCc3ccccc32)ccn1 95369397 IFDOOHGDLCBXST-INIZCTEOSA-N 326.465 4.044 0 40 EIAB C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)s1 95420153 ZOHFTIHYOPXZAO-ZDUSSCGKSA-N 331.872 4.497 0 40 EIAB Cc1cc([C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 95421261 TUGFWRNVJDCNSB-KGLIPLIRSA-N 328.412 4.265 0 40 EIAB Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccccc1)c1ccncc1 95996668 HIYSAOSTACENSC-OAHLLOKOSA-N 349.434 4.413 0 40 EIAB Cc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 96446172 IAAPWCDVNCBMGX-OZAJXLCCSA-N 348.443 4.096 0 40 EIAB CC(C)[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 96478021 CQMSTLFMGHXWRX-HRAATJIYSA-N 337.467 4.256 0 40 EIAB Cc1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423032 UOYRWPIMYBCOKG-WOJBJXKFSA-N 349.478 4.312 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-n2cc(Cl)cn2)cc1 103029881 FVBBLHQSYGQVBA-MELADBBJSA-N 329.831 4.291 0 40 EIAB O=C1C[C@@H](c2nc(-c3ccc(F)cc3Cl)no2)c2ccccc2N1 115179661 LSYZDNNUKOGXRJ-GFCCVEGCSA-N 343.745 4.003 0 40 EIAB CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2cc(Cl)ccc21 181826022 DNQWABVXTPBHNV-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB CC[C@@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)c1ccccc1 206849828 ZEGAVYWLAAXUGM-CRAIPNDOSA-N 331.843 4.338 0 40 EIAB Cc1cc(OCC(=O)n2cc(CO)c3ccccc32)cc(C)c1Cl 216787651 BDBNGPLSHPCKSJ-UHFFFAOYSA-N 343.810 4.123 0 40 EIAB O=C(O)c1ccc(-c2cc(C(F)(F)F)ccc2Br)o1 216939733 MRIOTMISMVCKNP-UHFFFAOYSA-N 335.075 4.426 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)COc2cccc3ccccc23)cc1 218914239 DPSDHHOKGKXMOE-KRWDZBQOSA-N 349.430 4.111 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218931879 XSBFLNWEEHGVJC-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccc(F)cc1 223736551 AHFPUFMJLRBBJI-UHFFFAOYSA-N 343.442 4.251 0 40 EIAB CCCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264761 DXNMUIQEQUHQCU-UHFFFAOYSA-N 327.815 4.413 0 40 EIAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)c(C)c1 225398143 NLSPHFFBLPJLJU-MRXNPFEDSA-N 331.387 4.032 0 40 EIAB O=C(NCc1cccnc1-c1ccco1)c1ccccc1C(F)(F)F 225660295 XPQIKFMCUDBNPR-UHFFFAOYSA-N 346.308 4.290 0 40 EIAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cn1 225867492 UJPYHPYTFMDVSN-UHFFFAOYSA-N 342.414 4.460 0 40 EIAB CCO[C@@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@@H](C)C1 225901010 OXETXLGTHPOHQY-VLIAUNLRSA-N 342.439 4.167 0 40 EIAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(C(C)(C)C)cc1 227146341 SCEJHPPPPUGAKO-UHFFFAOYSA-N 332.831 4.481 0 40 EIAB Cc1nc([C@H]2CCCCN2C(=O)c2cccs2)c2sccn12 257241055 HWKKBUVPDZTVHL-GFCCVEGCSA-N 331.466 4.133 0 40 EIAB O[C@H]1CCOc2c(NCc3ccsc3C(F)(F)F)cccc21 527694034 UHYDRJHGKDQZGX-LBPRGKRZSA-N 329.343 4.195 0 40 EIAB O=C(COc1ccccc1)c1ccccc1OC(F)(F)C(F)F 575243094 ZBFLYHFSACKBJT-UHFFFAOYSA-N 328.261 4.185 0 40 EIAB O=C(c1cc(Cl)ccc1F)N1CCCC[C@H]1[C@@H](O)c1ccccc1 1640363055 AOKLEGLMAUXALA-ROUUACIJSA-N 347.817 4.207 0 40 EIAB COc1ccccc1/C=C/C(=O)Oc1ccc(Br)cc1 149748 QUXCBQAFTZDWHQ-IZZDOVSWSA-N 333.181 4.077 0 40 EIAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1 215549 YMYWEYZGHUYDFZ-UHFFFAOYSA-N 327.409 4.131 0 40 EIAB CC(C)C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237095 MHSIZMVTWBIUBF-AWEZNQCLSA-N 341.436 4.270 0 40 EIAB O[C@@H](COCc1ccccc1)Cn1c2ccccc2c2ccccc21 2454835 YORFMQKZZOXAJH-GOSISDBHSA-N 331.415 4.372 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1Cc1ccccc1 2785818 BLMZEXAIXSZDJW-HXUWFJFHSA-N 340.382 4.002 0 40 EIAB biogenic Cc1nc(NCCCN(C)C)c2cc(-c3ccccc3)sc2n1 3328132 XYXYMLOPTPHWLN-UHFFFAOYSA-N 326.469 4.030 0 40 EIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1 3907770 SVTHTSHUNWSKNN-JLTOFOAXSA-N 340.423 4.088 0 40 EIAB COc1ccc(/C=C/c2nn3c(-c4cccs4)nnc3s2)cc1 4511868 IAALAXTZZXUFDK-RMKNXTFCSA-N 340.433 4.093 0 40 EIAB Cc1cccc(NC(=S)NCCSCc2ccccc2F)c1 7369394 CBJPNEMXTRITNM-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB O=C(O)/C(=C/c1ccco1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603219 DHZXFUSIDZOGSG-WQLSENKSSA-N 348.767 4.201 0 40 EIAB Brc1ccc(OCc2nc(-c3ccsc3)no2)cc1 8006350 KITWPUUZIQRSAA-UHFFFAOYSA-N 337.198 4.140 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccccc2)no1 8060728 UVIFFEDODYIDAL-UHFFFAOYSA-N 341.798 4.270 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1C 8129958 ZDPSUIAWCJJQDI-UHFFFAOYSA-N 339.439 4.077 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cccc3c2CCCC3)c1 9220817 MNXWQKMCIDTMEL-AWEZNQCLSA-N 336.435 4.207 0 40 EIAB CCOc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1 12415373 OXLSTNSXQOVKEA-UHFFFAOYSA-N 332.363 4.192 0 40 EIAB O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccn1 12622249 GLFJDBLBLNWBHT-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CC[C@@H](C(=O)NCc1cc(-c2cccs2)on1)c1ccccc1 12725366 JCPDXSCNUXGWLG-OAHLLOKOSA-N 326.421 4.213 0 40 EIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c[nH]c2ccccc12 12785080 UPJMXBOOYVRQCC-UHFFFAOYSA-N 334.375 4.462 0 40 EIAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 12931096 XPZPBDREKQPXTJ-AWEZNQCLSA-N 339.391 4.006 0 40 EIAB C[C@H](C(=O)Nc1cccc(F)c1)N(C)Cc1ccc2ccccc2c1 12986145 PYBUIPIJBCMQFU-OAHLLOKOSA-N 336.410 4.438 0 40 EIAB Cc1nn(CCC(=O)Oc2ccc3ccccc3c2)c(C)c1Cl 13568784 MXKHOCPVFVYCNH-UHFFFAOYSA-N 328.799 4.302 0 40 EIAB CC(=O)NCc1ccc(-c2nc(-c3ccc(O)cc3)sc2C)s1 14103552 YNCZXCVLTTVMAM-UHFFFAOYSA-N 344.461 4.189 0 40 EIAB Cn1ncc2c(Oc3ccc(-c4ccccc4)cc3Cl)ncnc21 14218449 NIFCDYGTCJVJQU-UHFFFAOYSA-N 336.782 4.476 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2ccccc2c1 15609596 CGZPNXACJZJWCS-UHFFFAOYSA-N 344.414 4.328 0 40 EIAB CN(C)[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 16599341 LOEHGLINQRDGFM-MRXNPFEDSA-N 337.250 4.026 0 40 EIAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(CC(C)(C)C)C3)ccc12 19742892 FJRXVPOCGSMFJB-CQSZACIVSA-N 329.492 4.004 0 40 EIAB Cc1ccccc1O[C@H](C)C(=O)NCCc1ccc(C(C)C)cc1 20110434 XPCMXBNIJQZRPH-QGZVFWFLSA-N 325.452 4.245 0 40 EIAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 21183471 ZGAHUNDCEIHUJY-QGZVFWFLSA-N 335.856 4.078 0 40 EIAB CC(C)n1ncc2cc(NC(=O)Cc3ccc4c(c3)CCCC4)cnc21 22258803 RHUXRQDZQQIUTR-UHFFFAOYSA-N 348.450 4.072 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 24595378 CSBHVQUUCIEKTP-MOPGFXCFSA-N 327.424 4.120 0 40 EIAB O=C(Nc1cnc2ccccc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 25156195 GGXOCHXKIGOAMF-IBGZPJMESA-N 348.402 4.045 0 40 EIAB Cc1cccc(OCCCSc2nc(N)c3ccsc3n2)c1 25607870 XHTXDCXFHDSSBD-UHFFFAOYSA-N 331.466 4.143 0 40 EIAB COCc1cccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 30115909 WNSLOFQIPVADFM-GFCCVEGCSA-N 337.341 4.343 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CS[C@@H](C)c1ccccc1 32909440 PDJZLTZEXSJHCN-CABCVRRESA-N 329.465 4.367 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36620893 FZXGEIHSSXYVQL-KRWDZBQOSA-N 335.856 4.174 0 40 EIAB COc1ccc(-c2nc(CSc3ccc(Cl)nn3)co2)cc1 45104349 DDPOCSINQYOROX-UHFFFAOYSA-N 333.800 4.086 0 40 EIAB Cc1ccccc1SCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 58378340 YMUROJBCRYIPTJ-YLJYHZDGSA-N 341.476 4.124 0 40 EIAB Cc1nc(NC(=O)c2ccccc2OCc2cscn2)sc1C 61440265 YLUOPUYVWMTBFN-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 65322198 CXEJGFHWFQFLNO-UHFFFAOYSA-N 342.487 4.027 0 40 EIAB Cc1csc(CCCNC(=O)Nc2cccc(COC(C)C)c2)n1 69582420 WGRVURXDDDCIDS-UHFFFAOYSA-N 347.484 4.131 0 40 EIAB CC(C)c1noc(-c2ccc(NC(=O)N(C)Cc3ccco3)cc2)n1 71892652 RLGUHHOESFXTCX-UHFFFAOYSA-N 340.383 4.117 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(OCc3ccccc3F)cc2)o1 71902637 LEZDWXALLCICGL-GFCCVEGCSA-N 327.359 4.269 0 40 EIAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 78458605 KDXSQFWDJDLREP-YWZLYKJASA-N 341.451 4.292 0 40 EIAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(C1CCCC1)C1CC1 81000031 RBDOCRDHVAEPLT-UHFFFAOYSA-N 337.423 4.161 0 40 EIAB CCc1cnc(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)o1 95414850 PDSIJIOAOJIYMC-AWEZNQCLSA-N 341.455 4.030 0 40 EIAB Cc1nc(C)c(CNc2cccc(NC(=O)c3ccoc3)c2)s1 95428904 UADUVHUIHHNYKN-UHFFFAOYSA-N 327.409 4.217 0 40 EIAB Cc1csc(NC(=O)c2nc(Br)sc2C(C)C)n1 95480096 AVRCEHUZUNWANZ-UHFFFAOYSA-N 346.275 4.046 0 40 EIAB Fc1ccc2c(c1)[C@@H](NC1CCN(c3nccs3)CC1)CCS2 95972819 UJFUUQKGDPPHPT-HNNXBMFYSA-N 349.500 4.078 0 40 EIAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2cscn2)o1 96433269 BQEKFOZILFVDTB-XJKSGUPXSA-N 332.469 4.231 0 40 EIAB O=C(c1cc(F)c(F)cc1Cl)N(CC1CC1)CC(F)(F)F 97011816 KICJMTBKTXVQEK-UHFFFAOYSA-N 327.680 4.033 0 40 EIAB O=c1c(Cc2ccccc2)c(O)c2ccccc2n1Cc1ccccc1 100218314 ZIWVYRMHGBBTTH-UHFFFAOYSA-N 341.410 4.346 0 40 EIAB biogenic,in-vitro COc1cc(-c2nc3cccc4cccc([nH]2)c43)cc(OC)c1OC 169961797 QZDIOXUIJSMUBH-UHFFFAOYSA-N 334.375 4.409 0 40 EIAB CCOC(=O)c1sc(C(OCC)OCC)nc1-c1ccccc1 199817784 YFVWLMDZMQPLNY-UHFFFAOYSA-N 335.425 4.058 0 40 EIAB Cc1cc(Br)cnc1-c1ncc(Br)cc1C 202172592 SKKCMLJKXUMIMO-UHFFFAOYSA-N 342.034 4.285 0 40 EIAB Cc1cc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)o1 211083467 UTHNTEQLXBLTJG-UHFFFAOYSA-N 345.445 4.180 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccc(C)cc1 219574993 HUJNHIYSWGTEKI-SFHVURJKSA-N 329.415 4.041 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccc(F)cc2)nc1 222612745 KZYRENUZMGMOGK-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB O=C(Nc1ccccc1Cl)c1cnc(-c2cccc(F)c2)nc1 222621316 XNWTVLSUNKPBLG-UHFFFAOYSA-N 327.746 4.188 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(F)cc1 222993231 YBMRAAPEFACRKV-FQEVSTJZSA-N 343.442 4.349 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223958369 YFXNGSYUHWPYLR-OAHLLOKOSA-N 339.435 4.288 0 40 EIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 225458008 ATXPHBMHLLJXEA-GFCCVEGCSA-N 345.443 4.163 0 40 EIAB CCOc1cc(NC(=O)c2ccccc2Cl)cc2sc(N)nc12 226309911 HFECOVZRMURBFG-UHFFFAOYSA-N 347.827 4.183 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)cc1N 226349730 GTKBMWNRGJEHKN-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB O=C(c1csc2ccccc12)[C@@H](Br)CBr 379992509 YJVCZGRTVXLAGR-VIFPVBQESA-N 348.059 4.242 0 40 EIAB CCCCOc1ccc([C@@H](C)Nc2cn(C)nc2CC)cc1OC 538582782 OJMJSADQNHISAD-CQSZACIVSA-N 331.460 4.343 0 40 EIAB COC(=O)CCCC(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358429 USWKZBDBAUGIOE-UHFFFAOYSA-N 348.345 4.070 0 40 EIAB COc1ccc(C(=O)N[C@H](C)Cc2csc3ccccc23)cc1F 575621748 SOSYECZWLMSWKL-GFCCVEGCSA-N 343.423 4.410 0 40 EIAB CCc1ccc([C@@H](CN[C@H](C)c2cncnc2C)N(CC)CC)cc1 578247247 PHWSUKXVKIEQJO-IIBYNOLFSA-N 340.515 4.081 0 40 EIAB O=C(Nc1ccc(-c2ccncc2)nc1)Nc1c(F)cccc1F 585149384 FVZPUJQQQDYUPG-UHFFFAOYSA-N 326.306 4.066 0 40 EIAB Cc1nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1N 685937686 OBBIBOZRWILUCP-UHFFFAOYSA-N 337.267 4.168 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 1505840675 ORFKKMKGCWGAJI-YVNUBYTISA-N 344.499 4.209 0 40 EIAB Cc1cc(N2C[C@H](c3ccsc3)O[C@H](C)C2)nc(C2CCC2)n1 1559136692 AJFHPOQGATUMJE-CZUORRHYSA-N 329.469 4.080 0 40 EIAB C[C@H]1CN=C(N(CCc2ccccc2)C(=O)Nc2ccccc2)S1 86885 MLRIXECAIIFHKO-HNNXBMFYSA-N 339.464 4.255 0 40 EIAB COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 121070 WSCCZHJZVDZUSC-ZZGUTQAHSA-N 344.451 4.164 0 40 EIAB CN(C)C(=O)c1ccccc1Sc1ccccc1Br 346495 KOSLDOMMQKZRSW-UHFFFAOYSA-N 336.254 4.302 0 40 EIAB Clc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1 529902 PHUNPGZUUPTFJQ-UHFFFAOYSA-N 342.811 4.085 0 40 EIAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 993075 HMXIDVBDMMDHQO-UHFFFAOYSA-N 331.371 4.201 0 40 EIAB OCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 1832543 LICMESCKGWLXFU-UHFFFAOYSA-N 335.234 4.316 0 40 EIAB CCOP(=O)(Cc1cc(C)oc1C(=O)C(F)(F)F)OCC 1875034 ZGMXTTYERXYIBH-UHFFFAOYSA-N 328.223 4.099 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 2642713 CPEQIVNXBIXREJ-UHFFFAOYSA-N 335.734 4.160 0 40 EIAB OC1CCC(Nc2nc(-c3cccs3)nc3ccccc23)CC1 3340903 QSAKSDWYKYRIEG-UHFFFAOYSA-N 325.437 4.074 0 40 EIAB CCOc1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 3405389 OOUYBMUNPIVPIQ-UHFFFAOYSA-N 327.355 4.209 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 3606559 XVYYEDTWUAMDBA-FZKQIMNGSA-N 329.827 4.301 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12)OCCO3 3843767 QGISYVREUUQQKE-JMCXLBPQSA-N 332.484 4.341 0 40 EIAB biogenic CCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033350 ZTQVZVRIBLHFLX-MRXNPFEDSA-N 333.435 4.194 0 40 EIAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccccc1 4358649 IXLPYSDBWHVBHX-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB Cc1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 4664985 ZMFNXIFWKBFZRG-UHFFFAOYSA-N 340.839 4.405 0 40 EIAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 4682372 HQVANSMHUJALHU-UHFFFAOYSA-N 346.427 4.131 0 40 EIAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 4815030 JKKNLEXRYRIDQC-MOPGFXCFSA-N 346.434 4.064 0 40 EIAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1cccs1 4890305 ZAEYDOQLPFTVEU-UHFFFAOYSA-N 341.461 4.181 0 40 EIAB Cn1c(C(=O)Nc2ccc(Br)cc2)cc2sccc21 4971132 ZBOXKEKHOXONCP-UHFFFAOYSA-N 335.226 4.255 0 40 EIAB Fc1ccccc1COc1ccc2ccccc2c1CNc1ncn[nH]1 5019149 PHZYHOFNDFIYOY-UHFFFAOYSA-N 348.381 4.288 0 40 EIAB C[C@H](OC(=O)c1cc2ccccc2s1)C(=O)N(C)c1ccccc1 5088074 NNYYXAHOLMFMTF-ZDUSSCGKSA-N 339.416 4.110 0 40 EIAB Cn1c(N)c(C(=O)Nc2ccc(-c3ccccc3)cc2)sc1=S 5555647 NCDHOKORGKSITG-UHFFFAOYSA-N 341.461 4.318 0 40 EIAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc2c(c1)CCC2 5611155 RSVYXWVRMHWKJU-VQHVLOKHSA-N 332.197 4.183 0 40 EIAB COc1ccccc1NC(=O)[C@H](C)Sc1ccc2ccccc2n1 5627101 OMFRMMGDNIMSHM-ZDUSSCGKSA-N 338.432 4.363 0 40 EIAB COc1ccc(-c2cnc3cc(C)nn3c2-c2ccc(OC)cc2)cc1 5793395 QOVOXXLMVMBGET-UHFFFAOYSA-N 345.402 4.389 0 40 EIAB CC[C@@H](C)c1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5953920 OFOLNAZBRRZPJO-VTAJJLHNSA-N 343.467 4.124 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(C)cc1 6602757 YJTAZHICFLXPIP-INIZCTEOSA-N 327.424 4.040 0 40 EIAB O=S(=O)(Cc1ccccc1Cl)N1CCCCc2ccccc21 6668280 DCCCLDHKZJEJKT-UHFFFAOYSA-N 335.856 4.013 0 40 EIAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2cccs2)CC1 7724542 DKIZFKKRJSWEPF-VOTSOKGWSA-N 346.883 4.072 0 40 EIAB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 8036340 XWGDCEHFDROBEL-UHFFFAOYSA-N 347.370 4.100 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)CCc1ccccc1 8048855 BYGPINZQNXWYQO-YLJYHZDGSA-N 325.452 4.290 0 40 EIAB COc1ccc(C)cc1CSc1nnc(-c2ccc(C)cc2)n1C 8132477 WNBIHIODHIEXFZ-UHFFFAOYSA-N 339.464 4.400 0 40 EIAB Cc1[nH]c2ccccc2c(=O)c1SC(F)(F)[C@H](F)C(F)(F)F 8578270 YPVDGOLAQRWMKP-LLVKDONJSA-N 341.276 4.422 0 40 EIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc2[nH]cnc2c1 8719905 SLXUTCLKPXTDGG-UHFFFAOYSA-N 326.406 4.000 0 40 EIAB CCCCC(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 8761809 LPUNSGXNMPWVTJ-UHFFFAOYSA-N 325.334 4.328 0 40 EIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(F)cc1 8863070 ATAMWTRNRKPYTB-GOSISDBHSA-N 346.471 4.234 0 40 EIAB c1ccc(Cc2nn3c(-c4ccco4)nnc3c3ccccc23)cc1 9184231 FIQFCMZQCVIGKN-UHFFFAOYSA-N 326.359 4.128 0 40 EIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1C 9196530 LQYHOVBYKLJOFV-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)C)c1 9461171 XDKQKGVNZYCOTO-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB Cn1/c(=N\C(=O)c2ccc(F)cc2)sc2ccc3ccccc3c21 11847333 BPSJNQIDKWGASX-XUTLUUPISA-N 336.391 4.273 0 40 EIAB Cc1c(C(=O)Nc2ccccn2)oc2ccc(Br)cc12 12543591 WRBHECUQJVZNHY-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB COc1ccc(CN(C(=O)c2cccc3ncccc23)C2CC2)cc1 12997821 AJLKTHYYESLKDQ-UHFFFAOYSA-N 332.403 4.048 0 40 EIAB C[C@H](Nc1ncnc2c1cnn2C)c1ccc(-c2ccccc2)cc1 14215873 CWOBJTYVSVVWQC-AWEZNQCLSA-N 329.407 4.203 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O 14849181 GXAPJYWOKCRVHE-AWEZNQCLSA-N 342.826 4.178 0 40 EIAB O=C(CCC1CCCC1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19014604 IXIKPVZWIMAXEC-INIZCTEOSA-N 331.460 4.014 0 40 EIAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 20039110 QTHVLIFGKJJWFV-ZDUSSCGKSA-N 331.437 4.213 0 40 EIAB O=C(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1ccco1 20428792 NDQUVYRTSIGXJM-UHFFFAOYSA-N 331.375 4.124 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(C)cc1 20492728 BQGMZLCWCMLNSJ-QGZVFWFLSA-N 325.452 4.074 0 40 EIAB CCc1ccc(C(=O)NC(=S)Nc2c(C)cccc2CC)cc1 21596423 OFDWJTVXHZQRQI-UHFFFAOYSA-N 326.465 4.247 0 40 EIAB Cc1cccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)c1C 28013541 ZWMFSOBPVLGVLI-UHFFFAOYSA-N 342.468 4.462 0 40 EIAB CCc1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 30850334 UEHLLMWHYLPEKX-ZDUSSCGKSA-N 345.464 4.386 0 40 EIAB COc1cc(CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1C 32847907 OWXTZRYXWWIOAT-UHFFFAOYSA-N 339.222 4.074 0 40 EIAB Cc1ccc2nc3c(c(C(=O)NOCc4ccccc4)c2c1)CCCC3 32986348 CAJBFBKHMQABFX-UHFFFAOYSA-N 346.430 4.284 0 40 EIAB Cc1ccc(NC(=O)Nc2c(F)cccc2F)cc1N1CCCC1=O 38489770 VAFWBNFTTRZQKS-UHFFFAOYSA-N 345.349 4.044 0 40 EIAB Cc1ccc(Oc2cccc(NC(=O)c3ccc(F)cc3F)c2)nn1 38670759 XYDBMVNPEOFZFV-UHFFFAOYSA-N 341.317 4.108 0 40 EIAB Cc1nc(CSCCC(=O)N(C)Cc2sccc2C)cs1 42018026 HETWMHBHVDEMDH-UHFFFAOYSA-N 340.539 4.103 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 44884128 HQQWZKKXQABCQO-SCLBCKFNSA-N 347.842 4.383 0 40 EIAB CCN(C(C)=O)c1nc(CN2CCC[C@@H]2c2ccccc2C)cs1 48251744 SOCSJKHAULOLBS-GOSISDBHSA-N 343.496 4.161 0 40 EIAB O=C(CN1CCC[C@H]1c1ccsc1)Nc1cc(Cl)ccc1F 48355862 RZTSVJXUPRGCGJ-HNNXBMFYSA-N 338.835 4.316 0 40 EIAB COCc1nc2cc(-c3ccc(-c4ccccc4)cc3)sc2c(=O)[nH]1 53853216 KCGTWBDXZDBYEL-UHFFFAOYSA-N 348.427 4.465 0 40 EIAB COc1ccc(C(C)=O)c(OCc2nc(-c3ccco3)oc2C)c1 58356665 VYMQVRJHKBYPPD-UHFFFAOYSA-N 327.336 4.033 0 40 EIAB CC(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1 58774925 OJSZGDTZDCPRTB-IBGZPJMESA-N 325.427 4.413 0 40 EIAB Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ccccc1Cl 60916722 VNXQLZAPJYGLMS-UHFFFAOYSA-N 347.823 4.277 0 40 EIAB CN(Cc1ccc(C(N)=O)cc1)c1ccc(Oc2ccccc2)cc1 65474391 GGJJWDSLTCBAHH-UHFFFAOYSA-N 332.403 4.214 0 40 EIAB O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ccccc2F)CC1 69562993 DAUGKRDEWITOCI-UHFFFAOYSA-N 346.446 4.020 0 40 EIAB c1ccc(CN2CCC(NCc3csc4ccccc34)CC2)nc1 69710800 LMTWGAKCDREOPC-UHFFFAOYSA-N 337.492 4.051 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(Br)nc1 72211590 AHEBZEQKSREEPO-HNNXBMFYSA-N 345.240 4.212 0 40 EIAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C)c(C)c1 72228906 XYFHIFKPTSQSID-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB CN(Cc1cccc(Cl)c1)C(=O)[C@]1(C)CCc2ccccc2C1 72302693 ANMMBZRKODEVEO-HXUWFJFHSA-N 327.855 4.494 0 40 EIAB C[C@@H](NC(=O)N(Cc1ccoc1)C1CCCCC1)c1ccncc1 73487266 DUWIYTUVHVADCT-OAHLLOKOSA-N 327.428 4.280 0 40 EIAB CCC(CC)(CC(=O)OC)NCc1csc(-c2ccsc2)n1 75103630 VBOXEMYQAPZSOY-UHFFFAOYSA-N 338.498 4.083 0 40 EIAB COc1ccc(Br)c(C=O)c1OCc1ccc(C)cc1 95095006 GDXYJXZTZAUFQV-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB CNc1snc(C)c1C(=O)Nc1ccc2nc(C(C)C)sc2c1 95377693 PGOWNUQFZFLSJB-UHFFFAOYSA-N 346.481 4.479 0 40 EIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccco1 95381711 NZRUSEYMSRVDCX-VXGBXAGGSA-N 338.329 4.107 0 40 EIAB COC1CCN(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1 96104496 IUTUKAZZJRSYEU-UHFFFAOYSA-N 349.434 4.035 0 40 EIAB C[C@H](NS(=O)(=O)c1ccccc1)[C@@]12CC[C@@H]3CC[C@H](C[C@@H](C3)C1)C2 101279296 PCLLZZCHYLHGSS-WRMBXCAGSA-N 347.524 4.350 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C1 106539086 OVECKDAXVBMALR-XQQFMLRXSA-N 334.510 4.281 0 40 EIAB C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OC(F)(F)F)cc1 109024950 TUBKTVQKUHUFJP-MPXAEWJHSA-N 327.346 4.199 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 113959818 QDOBSPHMPWCNPJ-QGZVFWFLSA-N 341.451 4.174 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1 113969764 AEERLKWTCIZWOT-FQEVSTJZSA-N 341.451 4.122 0 40 EIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccc(Cl)c2)S1 222559178 GLFJGAVLFDYZGY-UVBJJODRSA-N 329.856 4.324 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccccc2F)c1 223490639 YWNQIMCMIJTJMW-IBGZPJMESA-N 343.442 4.424 0 40 EIAB COc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1Cl 225122683 ACKDUHOYOFTCCE-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C(F)(F)F 225816119 LNTFREFMTMJVRD-OAHLLOKOSA-N 333.350 4.248 0 40 EIAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cn1 225863227 YMCMAICOBUTQEZ-UHFFFAOYSA-N 330.815 4.194 0 40 EIAB Cc1ccc(COc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 226298445 NDSVYKWLOAKLDJ-UHFFFAOYSA-N 336.420 4.049 0 40 EIAB Cc1ccc2c(C(=O)Nc3ccc(-c4nc[nH]n4)cc3)c(C)ccc2c1 1528354904 QURRKGJCLWJDDK-UHFFFAOYSA-N 342.402 4.494 0 40 EIAB O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 1584925141 QWKVKROCODADFX-FGTMMUONSA-N 327.355 4.124 0 40 EIAB O=C(O)[C@H](Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)no1 32009 PWSLUBYNZQSQGQ-INIZCTEOSA-N 342.782 4.103 0 40 EIAB Cc1cc(=O)oc2cc(Cl)c(OCC(=O)c3ccccc3)cc12 36269 OIVNJJHYORYIFQ-UHFFFAOYSA-N 328.751 4.017 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2ccccc12 484044 TVHMRVBYVBVMES-UHFFFAOYSA-N 325.389 4.330 0 40 EIAB CC(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 572335 QSSIKWICFNUCSA-MRXNPFEDSA-N 333.435 4.213 0 40 EIAB Fc1ccc2[nH]c3nc(SCc4ccccc4F)nnc3c2c1 1366326 GIMPQXROHUQRHK-UHFFFAOYSA-N 328.347 4.077 0 40 EIAB Cc1cccc(-n2nnnc2SCc2ccc(F)cc2Cl)c1 2625551 CTCUMRAERYEASE-UHFFFAOYSA-N 334.807 4.056 0 40 EIAB Cc1ccc2c(c1)s/c(=N/C(=O)/C=C/c1ccc(Cl)cc1)n2C 3175597 DCBIOLFZCFTHBT-VVDTYRDGSA-N 342.851 4.342 0 40 EIAB O=C(O[C@@H]1CCCCC1=O)c1c2c(nc3ccccc13)CCCCC2 3375029 GRPKOJICCFFJCE-LJQANCHMSA-N 337.419 4.172 0 40 EIAB COc1cccc(CNC(=O)c2oc3c(Cl)cccc3c2C)c1 3430077 UJXMCPIBTOACHY-UHFFFAOYSA-N 329.783 4.333 0 40 EIAB O=C(Cc1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 4072150 QWDNRWUTWJZXSP-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB Fc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1 4354558 KSKCOYITGUKFFU-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB Cc1ccccc1[C@@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4554028 WKWKUUTZXXIPDW-QGZVFWFLSA-N 341.480 4.252 0 40 EIAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 5098253 PUKRBRHXTDIWEJ-NTKDMRAZSA-N 347.395 4.020 0 40 EIAB Cc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)c1C 6804387 XITKPGYCVDKYAH-UHFFFAOYSA-N 346.430 4.311 0 40 EIAB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 6969869 SLMDBJFRDZIHFW-WQGACYEGSA-N 326.783 4.260 0 40 EIAB O=C(CSCc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 7146521 PYVDUWCOFDDRBB-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB CCOC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 7234157 VDFHJIHGWPJTBF-UHFFFAOYSA-N 344.461 4.322 0 40 EIAB CCOc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 7614636 DJNGFVFNUBGETM-UHFFFAOYSA-N 344.461 4.452 0 40 EIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccnn1Cc1cccs1 7793762 RSOCWIOMMQPZTQ-VMPITWQZSA-N 343.839 4.298 0 40 EIAB Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)s1 7825491 JMASYINBQKHWAZ-UHFFFAOYSA-N 334.422 4.291 0 40 EIAB COc1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)cc1 7949953 FVLPMGJJGQEDIV-UHFFFAOYSA-N 341.354 4.237 0 40 EIAB COc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8117428 SXKLTIYLIVEHLA-OAHLLOKOSA-N 347.823 4.160 0 40 EIAB Cc1ccc2c(CC(=O)N(C)Cc3ccccc3F)coc2c1C 8244462 CWJJTVTUQQWBPX-UHFFFAOYSA-N 325.383 4.390 0 40 EIAB O=C(Nc1ccc(SCc2ccccc2F)nn1)c1cccs1 11739345 MHDAYEKWUANACW-UHFFFAOYSA-N 345.424 4.222 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)NCC1(c2ccccc2)CC1 11749504 JOJHEYCAFZLYEV-UHFFFAOYSA-N 332.403 4.112 0 40 EIAB CCc1cc(=O)oc2c(C)c(O)c(-c3ccn(-c4ccccc4)n3)cc12 11866509 AJENKFDCDQRTTA-UHFFFAOYSA-N 346.386 4.222 0 40 EIAB FC(F)(F)c1nc2ccccc2n1Cc1cc(-c2ccco2)on1 12549630 PGKUBTCCUSBCET-UHFFFAOYSA-N 333.269 4.351 0 40 EIAB S=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1cccnc1 12970484 XUNZODFMYXTQLA-UHFFFAOYSA-N 345.431 4.434 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1Cl 13710032 YUINKPJKZWEUBD-LSDHHAIUSA-N 331.843 4.245 0 40 EIAB CC(C)c1ccccc1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 14180212 BWHBJKJNGGOHTD-BQYQJAHWSA-N 341.382 4.468 0 40 EIAB COc1ccc(CN(C)C(=O)CCCOc2ccc(Cl)cc2)cc1 14399136 KRTVDJFKTMAXFP-UHFFFAOYSA-N 347.842 4.166 0 40 EIAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14400747 RHACALUFEKZJOR-MRXNPFEDSA-N 325.452 4.376 0 40 EIAB Cc1cccc(CSc2nc(=O)n(C3CCCC3)c3c2CCC3)c1 15840391 ACMNUPUNRGPWSW-UHFFFAOYSA-N 340.492 4.448 0 40 EIAB CCc1nc(C)cn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 16807797 MFYTURJWSOLVTA-UHFFFAOYSA-N 332.469 4.039 0 40 EIAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(C(C)C)cc1)C2=O 19320108 DNJISSMEIAJQGX-UHFFFAOYSA-N 340.511 4.205 0 40 EIAB biogenic Cc1nc2ccc(NC(=O)CCn3nc(C)c(Cl)c3C)cc2s1 19578251 IZAHPDYQDAZLGY-UHFFFAOYSA-N 348.859 4.100 0 40 EIAB CCc1c(C(=O)Nc2cccc(C(C)C)c2)cnn1-c1ccccn1 19910856 OYENLEAZIFWJBY-UHFFFAOYSA-N 334.423 4.205 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)NCCSc2ccccc2)cc1 20456029 JEYPKJKECQZGBA-AWEZNQCLSA-N 347.505 4.084 0 40 EIAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)c(F)c1F 24545262 LNQBWGPKTMMVKW-UHFFFAOYSA-N 334.219 4.078 0 40 EIAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl 25060476 BSOPOXJDYVOOHC-UFBFGSQYSA-N 341.707 4.469 0 40 EIAB COc1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1F 25451251 DICRRPGEUHGNAM-JTQLQIEISA-N 341.304 4.344 0 40 EIAB CCN(CC)[C@H](CNC(=O)c1cccs1)c1ccccc1Cl 27578788 JEIIFRYYKOCOBQ-OAHLLOKOSA-N 336.888 4.214 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc2c3c([nH]c12)CCCC3 27602340 YQZKXFWPUHRHEM-LJQANCHMSA-N 346.430 4.300 0 40 EIAB C[C@@H](Nc1cccc(OCc2ccc(F)cc2)c1)C(=O)NC(C)(C)C 28346351 LRMXKEBHWMFSAX-CQSZACIVSA-N 344.430 4.120 0 40 EIAB Cn1c(SCc2c(F)cccc2Cl)nc2sccc2c1=O 36787889 WSOVUKHPWGKLBR-UHFFFAOYSA-N 340.832 4.080 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)NC3CCCCCC3)cc2)C1 38852353 IFYCVTVAYDZXEI-KRWDZBQOSA-N 328.500 4.371 0 40 EIAB COc1ccc(C)cc1S(=O)(=O)Oc1cc(C)c(Cl)c(C)c1 41097132 GNYHFHUZPWNQRJ-UHFFFAOYSA-N 340.828 4.042 0 40 EIAB Cc1cc(CN2CCN([C@H](C)c3ccc4ccccc4c3)CC2)no1 56491092 CIMWISCDKQKWAE-QGZVFWFLSA-N 335.451 4.015 0 40 EIAB Cc1ccccc1NC(=O)[C@@H](C)Nc1cccc(COC(C)C)c1 58304665 AOJRSWGQOYQJPC-MRXNPFEDSA-N 326.440 4.359 0 40 EIAB CC(C)Oc1ccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cn1 58379116 QYZOZBWCSFSGBD-UHFFFAOYSA-N 342.483 4.157 0 40 EIAB c1ccc(Cn2ccnc2SCc2cccc3cccnc23)nc1 71903280 NPLJJFHXEQCVNC-UHFFFAOYSA-N 332.432 4.167 0 40 EIAB CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215337 KIYWEFBRPYUKRE-MRXNPFEDSA-N 331.460 4.142 0 40 EIAB O=S(=O)(CC1CCCCC1)NC(c1ccccc1)c1ccccc1 72230359 KTOGWNJNWVIZSZ-UHFFFAOYSA-N 343.492 4.276 0 40 EIAB O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCCC[C@@H]1c1nccs1 72295642 JPGNXSCXHLUVHX-GZBFAFLISA-N 348.418 4.279 0 40 EIAB Cc1cc(-c2cnc(N3CCCCCC3)nc2-c2cccnc2C)on1 72337265 PGBVFPOFKQZUII-UHFFFAOYSA-N 349.438 4.191 0 40 EIAB Cc1cc(C)n(-c2cccc(C(=O)Nc3cccc4c3ccn4C)c2)n1 72403241 LANYPHXEQGKBKW-UHFFFAOYSA-N 344.418 4.233 0 40 EIAB CSC[C@H](C)N(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 77440882 HHRAMGGPKXNIDL-LBPRGKRZSA-N 348.472 4.075 0 40 EIAB CCOC1CCN(C(=O)N[C@H](C)c2csc3ccccc23)CC1 78602546 JDOXMJODFCXFSU-CYBMUJFWSA-N 332.469 4.173 0 40 EIAB Clc1cc(Cl)c2c(c1)CCN(Cc1nnsc1Cl)C2 84133268 XVVUKRIASGWZKE-UHFFFAOYSA-N 334.659 4.057 0 40 EIAB CC(=O)Nc1c(C)ccc(NCCCOCCc2ccccc2)c1C 86202663 ITPLPPNKZSMEBG-UHFFFAOYSA-N 340.467 4.323 0 40 EIAB Cc1cnc([C@H](NC(=O)N(C2CC2)[C@@H](C)c2ccco2)C2CC2)s1 95409965 VEBXGJDGAOVGPP-BLLLJJGKSA-N 345.468 4.431 0 40 EIAB O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1cccs1)SCC(O)=N2 95475263 OGFJKYCTFGJZLN-CQSZACIVSA-N 349.481 4.167 0 40 EIAB c1csc(CN2CCC3(CCN(Cc4ccsc4)CC3)CC2)n1 96047213 WTRRWTYDPHVQHZ-UHFFFAOYSA-N 347.553 4.083 0 40 EIAB CCOCc1ccccc1NC(=O)N1CCC(C(F)(F)F)CC1 96434256 FBCHMIHEQIOWPT-UHFFFAOYSA-N 330.350 4.029 0 40 EIAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1 100731343 PDHRRNVHIMWYKG-SQNIBIBYSA-N 327.468 4.049 0 40 EIAB CCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 109768479 KIXFWOFAEJOJAE-UHFFFAOYSA-N 325.195 4.496 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)cc1 113959730 OFIASNFBSGUOAE-UZLBHIALSA-N 341.451 4.347 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2)c1 218961313 PXCDLJHJLJBCRR-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB C[C@@H](Nc1ncncc1-c1nc(-c2ccsc2)no1)c1ccccc1 225579659 LQRASQLSCRKGQW-GFCCVEGCSA-N 349.419 4.428 0 40 EIAB CCO[C@@](C)(C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1)C1CC1 225725583 OFVMMNQAYYKLNS-HXUWFJFHSA-N 333.472 4.482 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1cc2cccc(C)c2oc1=O 226034643 SLXGLUIHBTUYKM-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N[C@@H]1C[C@H]2CC[C@H]1C2 260798429 TVDNGVGJHVCCBW-ZIBATOQPSA-N 327.852 4.017 0 40 EIAB O=C(O)[C@@]12C[C@@H]3C[C@H](C1)C[C@@](C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 299872733 GLJDZZQQPFAEPQ-VNJKPEEASA-N 330.268 4.193 0 40 EIAB C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CSC(C)(C)C 390828439 BAUWNJWYPOYBCB-HZPDHXFCSA-N 335.513 4.367 0 40 EIAB O=C(Nc1ccc(NCc2ccns2)cc1)N1CCCCCC1 583650817 BZKSWMAOBLIHAB-UHFFFAOYSA-N 330.457 4.163 0 40 EIAB Cc1cc(C(=O)NC2CCC3(CC2)CC3(F)F)c(Cl)cc1F 619229026 FZIQKLXKZGYQJZ-UHFFFAOYSA-N 331.765 4.485 0 40 EIAB Cc1cccc(-c2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)c1 145970 NSLYOEMTULHMLQ-LBPRGKRZSA-N 334.448 4.439 0 40 EIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=S)Nc2ccc3nsnc3c2)C1 270059 URZQTEXSTRQXIB-SJCJKPOMSA-N 346.525 4.289 0 40 EIAB CCOP(=O)(Nc1ccc2c(c1)C(=O)c1ccccc1-2)OCC 1662441 FVZGFUGKGGUUDC-UHFFFAOYSA-N 331.308 4.491 0 40 EIAB CCCC[C@@H]1C[C@@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O 2102242 OROXZXPYZYSMQA-AEFFLSMTSA-N 348.439 4.000 0 40 EIAB biogenic Cc1ccc([C@@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786800 KUBBTCLXNNKWNA-GJZGRUSLSA-N 346.459 4.407 0 40 EIAB Cc1ccc(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3051550 YCPPTWFEDMZRNZ-ZDUSSCGKSA-N 337.678 4.266 0 40 EIAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2cccc(F)c2)S1 3138639 RJTGRLBYLMTIJZ-LBPRGKRZSA-N 329.400 4.356 0 40 EIAB COc1ccc(CNC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1 3297504 YOSSKQRPQGRTAY-UHFFFAOYSA-N 341.451 4.078 0 40 EIAB O=C(NC1CCCCC1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 3627977 PVTMBLCXFRKZHU-UHFFFAOYSA-N 346.430 4.467 0 40 EIAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)c1ccc(F)cc1 4314252 CCPSHIWDQDXCPC-SNVBAGLBSA-N 348.834 4.305 0 40 EIAB CCOc1ccccc1-c1nn2c(-c3ccc(C)cc3)nnc2s1 4664914 ARCYAHNIPHKJDX-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)cc1Cl 4667183 URRKYRZQPZLIGW-ZDUSSCGKSA-N 335.856 4.097 0 40 EIAB Cc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)s1 5127546 CFODJMYFOUTGCC-DHZHZOJOSA-N 328.824 4.364 0 40 EIAB Cc1cccc(Cc2cnc(NC(=O)c3ccccc3F)s2)c1 5423090 NOLHQIIADMSNGJ-UHFFFAOYSA-N 326.396 4.434 0 40 EIAB CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(=O)OC)cc1 5477175 YGMOZQHYKROPNZ-UHFFFAOYSA-N 347.436 4.057 0 40 EIAB Cc1ccc(C(=O)N[C@H](C(=O)Oc2ccc(Cl)cc2)C(C)C)cc1 5752682 ZENYMEXSEIBSGV-KRWDZBQOSA-N 345.826 4.008 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 7271762 JMPHSJMMPULTCF-UHFFFAOYSA-N 342.826 4.023 0 40 EIAB CC(C)Cc1nnc(-c2cc3ccccc3n2Cc2cccnc2)o1 7453391 VWPLROTUONZJRN-UHFFFAOYSA-N 332.407 4.333 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 8097575 MNVXDNAWGANLIX-UHFFFAOYSA-N 337.297 4.134 0 40 EIAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nc2ccccc2o1 8276148 KLWMWALEFBITSH-UHFFFAOYSA-N 334.331 4.148 0 40 EIAB CSCc1nc2ccccc2n1CC(=O)Nc1ccccc1Cl 8280784 FJJGAIINBIXKKL-UHFFFAOYSA-N 345.855 4.191 0 40 EIAB COc1cc(CNC2CCCC2)ccc1OCc1ccc(F)cc1 8471553 BRKYITHZHSJFSH-UHFFFAOYSA-N 329.415 4.446 0 40 EIAB CCOc1cc2c(cc1NC(=O)c1cc3ccccc3o1)O[C@H](C)C2 8756119 BUCMECQJQOKMLP-GFCCVEGCSA-N 337.375 4.407 0 40 EIAB O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nccs2)cc1 9050762 BTQNKXAVDOWEON-UHFFFAOYSA-N 344.823 4.481 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)c(C)c1 10683035 IETOHPANKSCAIS-MRXNPFEDSA-N 335.494 4.103 0 40 EIAB Cc1cc(-c2cnc(NCc3ccccn3)nc2-c2cccs2)on1 12088803 SLGTZWKSVVVOLW-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB O=C(Nc1ccc(Cl)cc1F)c1ccc(CN2CCCC2)cc1 12731819 UVXYSUUDCZEANS-UHFFFAOYSA-N 332.806 4.327 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1Cl 12742239 GXPFIFXJCKLHFA-VIFPVBQESA-N 341.741 4.033 0 40 EIAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)c1cccc(Cl)c1 14093352 AKLORACHFZHBJZ-JTQLQIEISA-N 347.827 4.092 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)N(C)Cc2ccccc2)s1 15840075 HQQQUKVUXUJSPC-UHFFFAOYSA-N 342.489 4.381 0 40 EIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 20044581 LTUWMJMEICSBTL-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB CCCCCCC(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 20136705 PPWBOFUWFULWGL-UHFFFAOYSA-N 331.412 4.356 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1Nc1ccc(C)cc1 22072139 KWXXTYDYQHXXDT-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB O=C(CCN(Cc1ccccc1)Cc1ccco1)Nc1ccccc1 22199016 OVJCHXNJWDKPCV-UHFFFAOYSA-N 334.419 4.311 0 40 EIAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccco1)c1ccccc1 23873195 FUZMQOKOFRJFEQ-FQEVSTJZSA-N 330.387 4.475 0 40 EIAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)Cc1ccco1 23992912 OYMWIHISJSSTIO-SNVBAGLBSA-N 327.211 4.045 0 40 EIAB N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1 27519518 QLUMUKCWVLNHCV-DHDCSXOGSA-N 344.823 4.058 0 40 EIAB CCc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 28218481 OGSUQAMITUJIAD-UHFFFAOYSA-N 349.434 4.350 0 40 EIAB CN(CCOc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 32716627 HLTJVEWZLRTZKC-UHFFFAOYSA-N 339.366 4.237 0 40 EIAB Cc1cc(N(C)CC(=O)Nc2cccc3ccccc23)nc(C(C)C)n1 32717192 LTGKPZXVUWFHLG-UHFFFAOYSA-N 348.450 4.137 0 40 EIAB Cc1ccnc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)c1 33218952 LTEWBAYAPSWLSI-UHFFFAOYSA-N 347.418 4.233 0 40 EIAB Nc1nc2c(s1)[C@@H](c1ccccc1OC1CCCC1)CC(O)=N2 36366037 QLPWADIVAWCMJQ-GFCCVEGCSA-N 329.425 4.170 0 40 EIAB CCc1ccc(CNCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1 40088629 ADGJRILEMVTHMA-QGZVFWFLSA-N 341.373 4.080 0 40 EIAB CC(C)c1noc([C@H](C)S(=O)(=O)Cc2cccc3ccccc23)n1 46173754 BWUSXYLDAOGZSF-ZDUSSCGKSA-N 344.436 4.022 0 40 EIAB Cn1cc(-c2nc(CSc3nc4ccccc4s3)cs2)cn1 47171242 XMTJKPDOXJHNCT-UHFFFAOYSA-N 344.490 4.446 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1N1CCCC1=O 49505342 IXDSHWSVUNELGC-UHFFFAOYSA-N 334.828 4.089 0 40 EIAB O=C(C=C1CCCCC1)Nc1ccccc1OC[C@@H]1CCCCO1 56350804 QJGLTRRBZCBULK-KRWDZBQOSA-N 329.440 4.464 0 40 EIAB Cc1nccc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 56532771 PPEFWIIZLLAPSC-UHFFFAOYSA-N 326.444 4.354 0 40 EIAB COc1cccc(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)c1 58197100 ZGWHLTXKOIJCMO-UHFFFAOYSA-N 346.452 4.090 0 40 EIAB Cc1nc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cs1 58429483 RCPWMRQUSKSVDF-UHFFFAOYSA-N 343.433 4.018 0 40 EIAB CN(CCc1ccccn1)C(=O)C1c2ccccc2Oc2ccccc21 60620810 OOTSMZBVUHVTIH-UHFFFAOYSA-N 344.414 4.020 0 40 EIAB CC[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1F 71915832 VPIJVFLGGYUEQJ-QGZVFWFLSA-N 331.366 4.058 0 40 EIAB COc1ccc(OC)c(-c2cc(-c3ccccc3Cl)nc(N)n2)c1 71977628 VRDRKMQRPZEEJM-UHFFFAOYSA-N 341.798 4.063 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 72221867 MLOZOTGUWIULBS-SFHVURJKSA-N 333.428 4.050 0 40 EIAB C[S@@](=O)Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl 72285688 BAYPVKSPFBZDKZ-NRFANRHFSA-N 342.247 4.124 0 40 EIAB CC[C@](C)(NC(=O)Nc1c(F)cccc1F)c1nc(C)cs1 72296069 BRCFYGZZFTYCOL-HNNXBMFYSA-N 325.384 4.177 0 40 EIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1csc(C2CC2)n1 75611551 WRTIAFXVNRULSJ-HNNXBMFYSA-N 330.501 4.139 0 40 EIAB C[C@@H]1CC(CCN(C)C2CCN(C3CCOCC3)CC2)C[C@@H](C)C1 89123510 ZFWGKUIBXXMISA-ROUUACIJSA-N 336.564 4.024 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89529276 OACCLSHGWKLGFO-OALUTQOASA-N 334.419 4.207 0 40 EIAB Cc1csc(-c2cccc(NCc3ccc([S@](C)=O)cc3)c2)n1 89708858 ICQDACSLYAEJNF-HSZRJFAPSA-N 342.489 4.468 0 40 EIAB CC(C)n1ccc2c(C(=O)Nc3ccc4c(c3)ncn4C)cccc21 95480285 RVCGQNUPAPAFMT-UHFFFAOYSA-N 332.407 4.361 0 40 EIAB Cc1ncc(C(=O)N(CC2CC2)c2cccnc2)c(Cl)c1Cl 95985577 BWAMAYUEMOUGRI-UHFFFAOYSA-N 336.222 4.149 0 40 EIAB Cc1csc([C@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 96478502 ZEFBQNGFORPTFK-SCLBCKFNSA-N 344.480 4.415 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1 96659346 SPIQPGUJZCAJFI-UHFFFAOYSA-N 333.453 4.038 0 40 EIAB CC(=O)c1c(F)cccc1NCc1cc(Cl)c2c(c1)OCCO2 97286533 JCHIPCSNBWQOKJ-UHFFFAOYSA-N 335.762 4.065 0 40 EIAB O=C(c1ccc2[nH]cnc2c1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166727 PJHSOLNVTOILQO-QZTJIDSGSA-N 349.409 4.253 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1 102606206 PYNLSFJIGKYLLG-NRVIEEGESA-N 345.442 4.233 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCCCc2ccccc2Cl)c1 218967491 IKNRSVQOSNHSJI-UHFFFAOYSA-N 345.870 4.393 0 40 EIAB CCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)c(C)c2)c1 224539548 ZRWKGSXVGQMTPW-UHFFFAOYSA-N 347.842 4.376 0 40 EIAB Cc1cccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225082048 ITPFKMBYKYCPFL-CQSZACIVSA-N 325.191 4.377 0 40 EIAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225750257 WYGBTBTYWYIQSN-KRWDZBQOSA-N 331.843 4.467 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(F)cc3)N21 260784100 UTUDEFWKRHLGRB-PVAVHDDUSA-N 327.428 4.200 0 40 EIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 390830568 LWZZNJXKVNARJX-OAHLLOKOSA-N 339.476 4.117 0 40 EIAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1c(Cl)cccc1Cl 408718275 QFPLMZGZEPSBKM-ZSOIEALJSA-N 336.149 4.477 0 40 EIAB Cc1c(NC(=O)c2cccnc2)cccc1-c1nc2ccccc2o1 206278 ANFIKOHPXPQXLW-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1c1ccc(F)cc1 501021 LQXXVVKBAWKIBA-LJQANCHMSA-N 344.345 4.145 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1Cc1ccccc1 525500 BLMZEXAIXSZDJW-FQEVSTJZSA-N 340.382 4.002 0 40 EIAB biogenic CCN(CC)c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 537727 BQAMGEYVBNIHIV-UHFFFAOYSA-N 349.463 4.366 0 40 EIAB Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405097 RHNAIBDAHLWLRY-UHFFFAOYSA-N 336.395 4.384 0 40 EIAB CC(C)(C)[C@H](OC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 1597431 VCBDMHXCXZSWNR-LJQANCHMSA-N 326.392 4.288 0 40 EIAB O=C(OCc1ccccc1CN1CCCC1)c1cccc(Cl)c1 1716174 MPZZWGZQSNRPJI-UHFFFAOYSA-N 329.827 4.293 0 40 EIAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 2399298 LSTZACRXYJCYDJ-DVECYGJZSA-N 347.395 4.164 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCO2 3353462 YELHVBBATKQGRW-UONOGXRCSA-N 340.423 4.368 0 40 EIAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCCC3)cc12 3373505 CFHOHCFCYPFBIR-UHFFFAOYSA-N 345.855 4.285 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 4072174 SQLVNNSUFQXGTF-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1O 4571441 AUJSUQSWVKFZNK-XXFAHNHDSA-N 344.436 4.016 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(-c2noc(C)n2)cc1C 4753719 VBUJLZZBCMTMDN-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB CCc1ccc(OCC(=O)NCc2ccc(C(C)(C)C)cc2)cc1 5471300 IFSGRIFNOUKGPB-UHFFFAOYSA-N 325.452 4.242 0 40 EIAB Cc1ccc(N2CC=C(c3ccccc3)O[P@@]2(=O)N2CC2)cc1 5707110 LHYCVMMGSGCGFL-QHCPKHFHSA-N 326.336 4.296 0 40 EIAB COc1cc(C)c(NC(=O)/C=C/c2ccccc2Cl)cc1OC 6259166 TTYFTIIQVRYFIB-CMDGGOBGSA-N 331.799 4.318 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CS[C@@H](C)c2ccccc2)cc1 7210786 WKVHBJPNEGXQPH-ZDUSSCGKSA-N 328.437 4.078 0 40 EIAB CN(Cc1ccccc1F)C(=O)c1ccc(-c2ccc(F)cc2)o1 8340775 DQUOIFMPKJHBFW-UHFFFAOYSA-N 327.330 4.497 0 40 EIAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)C1CCCC1 9107438 DITSQHBNDIGZKF-UHFFFAOYSA-N 348.446 4.295 0 40 EIAB O=C(CSCc1cccs1)Nc1nc(-c2ccncc2)cs1 9368486 WYDQWJPYKODZRB-UHFFFAOYSA-N 347.490 4.139 0 40 EIAB O=C(CNc1ccccc1F)N[C@@H](c1ccccc1)c1cccs1 11127163 SUUOVSFIJUFVSR-IBGZPJMESA-N 340.423 4.205 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccccc1F 11613860 OGEYRHPYJLNGIW-UHFFFAOYSA-N 334.199 4.242 0 40 EIAB CCc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12276671 IYDAWMFQXUUXMQ-UHFFFAOYSA-N 348.450 4.074 0 40 EIAB c1ccc2sc(C3CCN(Cn4cnc5ccccc54)CC3)nc2c1 12525170 UKBUALDTTNSGFN-UHFFFAOYSA-N 348.475 4.483 0 40 EIAB CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)no1 13948464 BPRXGVDNKDABIV-UHFFFAOYSA-N 349.239 4.080 0 40 EIAB COc1cccc(CSc2nnc(/C=C/c3ccc(F)cc3)[nH]2)c1 14162119 KMDHEEOGEINGEI-JXMROGBWSA-N 341.411 4.415 0 40 EIAB O=C1C[C@@H](c2ccc(O)cc2)c2sc(Nc3ccccc3)nc2N1 15109984 KJBZXDDERLSQMH-AWEZNQCLSA-N 337.404 4.066 0 40 EIAB CCOc1ccccc1-n1nnnc1SCc1cccc(Cl)c1 15229051 TXGSDDSMXQBVII-UHFFFAOYSA-N 346.843 4.007 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1NC(=O)c1ccco1 15339822 AZMIYWVGWDYPRW-OAHLLOKOSA-N 348.402 4.331 0 40 EIAB CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccccc1)N(C)C 16688015 WJVNYZBAAFGAGF-ZSMUJPCHSA-N 331.780 4.420 0 40 EIAB O=C(CSC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1 18758630 YZKGABDGVLAUJZ-UHFFFAOYSA-N 333.472 4.144 0 40 EIAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1F 19736789 CCXFRCAJSLDLNO-QWHCGFSZSA-N 330.403 4.327 0 40 EIAB CCc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1-c1ccccc1 19910930 UUBJPXBJPXOYMI-UHFFFAOYSA-N 334.423 4.007 0 40 EIAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1O 19920066 MCWIYZIOSYRROB-UHFFFAOYSA-N 336.229 4.392 0 40 EIAB O=C(CSCc1ccccc1Cl)N1CCc2ccccc2C1 20237985 YVOGTRLAWPKAAM-UHFFFAOYSA-N 331.868 4.158 0 40 EIAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 20457312 BTWBBVNTSZWMAU-LLVKDONJSA-N 339.313 4.120 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CC[C@H](C)Sc2ccccc21 22257157 OFLUNWFIDXFOKO-LBPRGKRZSA-N 330.453 4.142 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCc2ccccc21 22525852 HOLUGWOWJJOPKG-GOSISDBHSA-N 329.827 4.477 0 40 EIAB COCc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 25334965 ZJERCBCUEAGBAI-UHFFFAOYSA-N 327.424 4.148 0 40 EIAB O=C(CCCc1ccccc1)Nc1cnn(Cc2ccccc2F)c1 28303658 MTULLLAKPSNZQN-UHFFFAOYSA-N 337.398 4.032 0 40 EIAB COc1ccccc1CC(=O)N[C@H](c1cccs1)C1CCCC1 31805553 QRXDOZPQWJTMOW-IBGZPJMESA-N 329.465 4.347 0 40 EIAB O=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2ccccc21 32843836 TYFPVFLFTLXLEF-MRXNPFEDSA-N 334.341 4.192 0 40 EIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33627291 FQUAQJOMDCUQHG-LCYFTJDESA-N 345.354 4.149 0 40 EIAB FC(F)(F)c1cnc(N2CCNc3ccccc3C2)c(Cl)c1 40105306 ZTXPPSZDTUXHNP-UHFFFAOYSA-N 327.737 4.186 0 40 EIAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccc(Cl)c3)cc2)n1 40107355 FWGASCPCNLDHCI-UHFFFAOYSA-N 339.826 4.324 0 40 EIAB Cc1c(C(=O)N[C@H]2CCSc3ccccc32)oc2c1C(=O)CCC2 40131090 PRACBPGFAWORQZ-ZDUSSCGKSA-N 341.432 4.074 0 40 EIAB O=C(O)c1ccc(-c2cc(Br)ccc2Br)o1 42581883 BJPJAVDYCHJHEO-UHFFFAOYSA-N 345.974 4.170 0 40 EIAB Brc1cc(-c2ccccc2)ccc1O[C@@H]1CCCNC1 42774732 ABJZHIMUHXSHQZ-OAHLLOKOSA-N 332.241 4.247 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 44848662 ABPSPAFOMLNLIZ-HZPDHXFCSA-N 343.492 4.313 0 40 EIAB c1ccc([C@H]2c3cccn3CCN2Cc2cc(-c3ccco3)on2)cc1 48364376 OHGQVDJTJHNUCT-NRFANRHFSA-N 345.402 4.341 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)c1 49548867 ZWJPPJUANSPEIS-QGZVFWFLSA-N 333.391 4.064 0 40 EIAB O=C(CN1CCC[C@H]1c1ccc(Cl)cc1)N1CCc2ccccc21 58377880 HAPPCLBVNWAWQH-SFHVURJKSA-N 340.854 4.066 0 40 EIAB Cc1ccccc1[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 58434341 CXCQWEHBPHGUMY-AWEZNQCLSA-N 347.397 4.412 0 40 EIAB Cc1nc(-c2ccco2)nc2sc(C(=O)NC3CCCC3)c(C)c12 58571647 DJZLEVKHWNDHNX-UHFFFAOYSA-N 341.436 4.241 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)CCCOc1cccc(F)c1 65005863 GPZBQMNAWYBZDX-UHFFFAOYSA-N 333.407 4.018 0 40 EIAB CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccsc2)c1 68733313 OFXZDEDSIPHVPG-KDOFPFPSSA-N 343.448 4.082 0 40 EIAB CCN(C(=O)c1cccnc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 69458174 YGEIWCQQFWIYFR-FQEVSTJZSA-N 349.409 4.176 0 40 EIAB CN(C(=O)Cc1cccs1)[C@@H](c1cccc(F)c1)c1ccccn1 69581769 YVRLMVBNSSMECU-IBGZPJMESA-N 340.423 4.073 0 40 EIAB Cc1cccnc1[C@H](NC(=O)c1ccc(-c2cnco2)cc1)C(C)C 71908524 QPSQIKPCEBJCMI-GOSISDBHSA-N 335.407 4.172 0 40 EIAB COc1csc(C(=O)N2CCCc3c(Cl)ccc(OC)c32)c1 80916956 UJFZQFYZBQMXLA-UHFFFAOYSA-N 337.828 4.012 0 40 EIAB Cc1noc(C)c1N(C)C(=O)CC(c1ccccc1)c1ccccc1 80948522 PMINVBRJQQMVNL-UHFFFAOYSA-N 334.419 4.476 0 40 EIAB Cc1ccc2c(c1)[C@H](NCc1nccn1Cc1ccccc1)CCCO2 95423418 KACRKBWRFKVNKX-HXUWFJFHSA-N 347.462 4.243 0 40 EIAB C[C@H]1CCN(C(=O)c2occc2Br)CC12CCCCC2 95943434 YNJIPVCCOGCCII-LBPRGKRZSA-N 340.261 4.475 0 40 EIAB O=C(O)CC/C(=C/c1ccc(O)cc1)c1nc2ccccc2s1 96767629 ZIMPCNCOMCZQFD-QBFSEMIESA-N 325.389 4.407 0 40 EIAB Cc1nc(C)c(C(=O)N2CCS[C@H](c3ccccc3C)CC2)s1 219283058 PQJYBIOTIYOKRB-INIZCTEOSA-N 346.521 4.389 0 40 EIAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222589167 APLYOUDTQPHMQJ-RRQGHBQHSA-N 326.469 4.053 0 40 EIAB CCOC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1C 222629732 WBSMLBNUOUEUTO-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB CC(C)Oc1cccc(CNC(=O)COc2ccccc2C(C)C)c1 222808097 PZCGBEXJZRAAGM-UHFFFAOYSA-N 341.451 4.292 0 40 EIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223146959 YZRDKMALAKTLBV-CYBMUJFWSA-N 329.827 4.085 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 223442219 FGXHQNUIVHATHB-CVEARBPZSA-N 329.415 4.396 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCCSC1CCCC1 224047864 QKVZTHVRZVHKMF-UHFFFAOYSA-N 335.513 4.155 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2ccc3nc(N)sc3c2)cc1 226311696 LVDODJJZYYVFEY-UHFFFAOYSA-N 341.436 4.019 0 40 EIAB CCCc1ccc(C(=O)NCc2ccnc(-c3cccnc3)c2)cc1 238846428 IKWRBTVDFQWABS-UHFFFAOYSA-N 331.419 4.026 0 40 EIAB CC(C)C(=O)N[C@@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257280172 OJULLEVFWHIEBK-DDAMMTDISA-N 345.483 4.189 0 40 EIAB COc1cccc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c1O 409136963 ZGDQTPMGOYWDIP-GDNBJRDFSA-N 347.436 4.017 0 40 EIAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c1C 409411849 MEGBFVYWFDILKS-OAHLLOKOSA-N 344.414 4.444 0 40 EIAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(O)cc1 524735101 VIFPCNSHOZEFLZ-SFHVURJKSA-N 340.810 4.465 0 40 EIAB C/C(=C\c1ccccc1)C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 575618178 SZIJQTVOYJRFLL-IDCODDLRSA-N 345.446 4.222 0 40 EIAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1F 585133297 DYQGHFLRBHLDPM-OAHLLOKOSA-N 345.418 4.284 0 40 EIAB COC1(COc2ccc(C)cc2C)CCN(C2CCCCC2)CC1 585281214 GYJWQEGQXAYJCX-UHFFFAOYSA-N 331.500 4.496 0 40 EIAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1ccccc1Cl 618256759 WNTQCJVOKURCIR-MRXNPFEDSA-N 335.856 4.299 0 40 EIAB C[C@@H](C(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1ccccc1 655269462 LFOBAJUMKQYBPV-MRXNPFEDSA-N 345.446 4.140 0 40 EIAB CC(C)OC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCCC3 145084 XCOVXCKSVAJWND-SNVBAGLBSA-N 336.482 4.002 0 40 EIAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3F)o2)c1 417821 LBXPMUYZNLWDNK-UHFFFAOYSA-N 328.368 4.159 0 40 EIAB Cc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 520741 VAPVTEPLQCUTMO-UHFFFAOYSA-N 326.812 4.482 0 40 EIAB Cc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1Cl 539804 IANBBGLHVYTVKA-UHFFFAOYSA-N 341.794 4.420 0 40 EIAB CSc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 1395676 ZRSNXHIQTYMUPX-UHFFFAOYSA-N 334.404 4.306 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 1516438 UEQLFKANGJLMCY-UHFFFAOYSA-N 332.450 4.022 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1c(Cl)nc2sccn12 3235929 WVDBDTITPAXJIT-UHFFFAOYSA-N 326.208 4.263 0 40 EIAB O=C(COc1cccc2ccccc12)NCc1ccccc1Cl 3613127 FHRSBNTUGWCMSW-UHFFFAOYSA-N 325.795 4.188 0 40 EIAB Cc1cc(C)n(-c2cc(NCc3ccco3)nc(-c3ccccc3)n2)n1 5426644 NQRCXJRSBRJKTL-UHFFFAOYSA-N 345.406 4.151 0 40 EIAB NC1=NC(=O)S/C1=C\c1ccc(-c2nc3ccccc3s2)o1 6000348 RTBWHMVFOMMXTE-GHXNOFRVSA-N 327.390 4.121 0 40 EIAB Cc1ccccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430082 ZRWPOJRAJHJKLO-UHFFFAOYSA-N 341.451 4.083 0 40 EIAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 7510204 NZHKONODRJBAOG-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB CCc1nnc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1 8269905 HMKFZNQKTKKFNJ-CSKARUKUSA-N 343.383 4.152 0 40 EIAB COc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c(O)c1 8973318 LVDTUDIULBHXPJ-UHFFFAOYSA-N 345.196 4.220 0 40 EIAB COc1c(C)cccc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 9142050 HHNNGMFAVCYLQM-HILYYZTDSA-N 327.468 4.338 0 40 EIAB CCOc1ccccc1CCCNC(=O)Cc1ccc(Cl)cc1 10111026 XNBDLLJDXHLRJB-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB Cc1cc(-c2cnc(N(C)Cc3ccccc3)nc2-c2ccco2)on1 12184413 OXJXWPJHPIXWHG-UHFFFAOYSA-N 346.390 4.336 0 40 EIAB CN(C)c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12555173 DUHHXRCRBLMMDV-GOSISDBHSA-N 328.843 4.287 0 40 EIAB COc1ccc2c(ccn2CCC(=O)Nc2ccc3[nH]ccc3c2)c1 12664665 OBMOOKFMQRGHAJ-UHFFFAOYSA-N 333.391 4.160 0 40 EIAB biogenic C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(Br)cc1 12860882 WCTBRANSVLBFDP-CYBMUJFWSA-N 347.256 4.052 0 40 EIAB Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2Cl)c1C 12883125 LRDWERAXTCIXDZ-UHFFFAOYSA-N 334.822 4.166 0 40 EIAB CCCCC[C@H](O)/C=C/C=C/C/C=C/C=C\[C@@H](O)CCCC(=O)O 13485799 UXGXCGPWGSUMNI-QLCQVPOASA-N 336.472 4.158 0 40 EIAB Cc1ccc(CSCCNC(=O)c2ccc(Cl)cc2F)cc1 16496196 WVAASTXLEYKYBQ-UHFFFAOYSA-N 337.847 4.451 0 40 EIAB CCn1ncc(CN(C)Cc2csc(-c3ccc(C)cc3)n2)c1C 17071294 HLOUYHCVJHHNPT-UHFFFAOYSA-N 340.496 4.275 0 40 EIAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)/C=C/c2ccco2)cc1 18091716 LQWAVKPTTRXZLM-ZHACJKMWSA-N 349.434 4.474 0 40 EIAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccc1 19590194 NFFQPVCVVPHLFC-YPAWHYETSA-N 348.490 4.169 0 40 EIAB Cc1nc2cc(NC(=O)c3ccccc3Br)ccc2o1 21831300 MQRJRIYCTOILES-UHFFFAOYSA-N 331.169 4.151 0 40 EIAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)sc2c1 22024297 GZQCUAGQJRIVNS-LLVKDONJSA-N 330.384 4.150 0 40 EIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 26978377 ORRHVRBJDUOZKN-DJJJIMSYSA-N 342.439 4.179 0 40 EIAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2ccnc2)cc1 30952702 OAJHZUJWYMUDBG-JXMROGBWSA-N 337.810 4.237 0 40 EIAB Nc1nc(SCCOc2ccccc2Cl)nc2sccc12 32841104 XDICODCFUMCJCY-UHFFFAOYSA-N 337.857 4.098 0 40 EIAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 32961157 MXCFWECKHWRTIY-UHFFFAOYSA-N 339.420 4.206 0 40 EIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(F)c(F)c(F)c3)c12 36365157 BITSQGDCMXQXSZ-UHFFFAOYSA-N 347.296 4.078 0 40 EIAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 36635374 YZSFYYDTCYKGRT-HNNXBMFYSA-N 349.217 4.046 0 40 EIAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccoc1 40110783 PKUJDVOTAVIEKP-UHFFFAOYSA-N 330.359 4.190 0 40 EIAB Cc1c(Cl)ccc(S(=O)(=O)N(C)C2CCCCC2)c1Cl 41095618 LSAWABYHZSSMOC-UHFFFAOYSA-N 336.284 4.255 0 40 EIAB Cc1cc(/C=C/C(=O)NC[C@H]2CCCOC2)c(C)n1C1CCCCC1 55922541 DAASZFLZINHEFX-DOJUMQAQSA-N 344.499 4.166 0 40 EIAB O=C(C[C@@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 57084637 CHXQQUMSOCLKAS-RDJZCZTQSA-N 335.856 4.176 0 40 EIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 59351943 XUKPXRGUFXVPGF-ZIAGYGMSSA-N 347.842 4.302 0 40 EIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(c2ccc(O)cc2)CC1 65623563 AHHMBQNPABXZPR-HNNXBMFYSA-N 348.446 4.324 0 40 EIAB C[C@@H](NCc1cc(-c2ccccc2)co1)c1ccc2c(c1)NC(=O)CO2 69157786 XXDCEORFJBPEPC-CQSZACIVSA-N 348.402 4.128 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 70040397 BZJUNHZQISKRCY-LBPRGKRZSA-N 346.434 4.162 0 40 EIAB CCC[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3onc(C)c23)CC1 71845437 CVQNWBZRTDLMDJ-AWEZNQCLSA-N 341.455 4.451 0 40 EIAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(-c2ccccc2)no1 71876678 BQROWEDMRDIXPZ-LJQANCHMSA-N 336.439 4.029 0 40 EIAB Cc1cc(-c2cnc(NCc3ccco3)nc2-c2cccnc2C)on1 72336750 RHLSFOARJIRJDO-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB Clc1ccc(-c2nn(-c3ccccc3)cc2Cn2cccn2)cc1 78805441 HMGLPSVBOOXVRT-UHFFFAOYSA-N 334.810 4.438 0 40 EIAB CCn1c([C@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)nc2ccccc21 79336575 ALCVBCDCPZJHOE-RLFYNMQTSA-N 349.434 4.116 0 40 EIAB C[C@@H](NCc1csc(-c2cnn(C)c2)n1)c1ccccc1Cl 84660591 XSOIWFHTRKGSSH-LLVKDONJSA-N 332.860 4.048 0 40 EIAB CSc1ccc(CN(C)C(=O)NCc2cc3ccccc3[nH]2)cc1 95957091 VRDUXUMOJCBRFU-UHFFFAOYSA-N 339.464 4.231 0 40 EIAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccccc1OC1CCCC1 95957464 ARSZKYKWTGYRED-UHFFFAOYSA-N 348.406 4.045 0 40 EIAB CS[C@H](C)CCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C 95995814 QHOWWSIOZPFLPP-CQSZACIVSA-N 337.485 4.132 0 40 EIAB O=C(c1ccc(-c2cnco2)cc1)N1CC=C(c2cccs2)CC1 96409977 MUCUMZQMBDNAEL-UHFFFAOYSA-N 336.416 4.333 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(F)cc1 100943986 HDQXJYPBEJVKLX-RWQQGDIJSA-N 337.394 4.008 0 40 EIAB COc1ccc(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)cc1 102802378 XZFVODUQIBULSZ-UHFFFAOYSA-N 331.375 4.086 0 40 EIAB C[C@]12C[C@H](C(=O)O)[C@@](C)(C1=O)C(c1ccccc1)=C2c1ccccc1 104262896 FMCRQNULZBIBDZ-NPFVIJTESA-N 332.399 4.297 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc(CC)cc1 113968814 RMLJIXPBPXBTHP-IBGZPJMESA-N 341.451 4.122 0 40 EIAB CSc1ccccc1NC(=O)Cc1cccc(Br)c1 124201989 HCPQAEVCXKKCQL-UHFFFAOYSA-N 336.254 4.352 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc2ccccc2c1 222794889 KKGUZHVVDQDWJZ-INIZCTEOSA-N 333.431 4.486 0 40 EIAB COC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1C 225463107 QNDWJGKUUFTABV-UHFFFAOYSA-N 334.828 4.244 0 40 EIAB Cc1ccnc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225566741 SLVCMZPCMPTAFY-UHFFFAOYSA-N 343.496 4.096 0 40 EIAB CSc1ccccc1C(=O)NC[C@H](O)c1csc2ccccc12 225692630 AOMHKQASTMRDCC-HNNXBMFYSA-N 343.473 4.087 0 40 EIAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccs1 226287659 GFSARODLQBZXDV-UHFFFAOYSA-N 348.427 4.469 0 40 EIAB Cc1nc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cs1 257173734 VYZJIXLHCVGRKZ-UHFFFAOYSA-N 349.868 4.158 0 40 EIAB Cn1ccnc1Sc1ccccc1NC(=O)c1ccoc1C1CC1 390833848 NXBHCXUIXHVKEM-UHFFFAOYSA-N 339.420 4.294 0 40 EIAB Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 408713200 NVYBOKGNNHUTAU-UHFFFAOYSA-N 347.201 4.098 0 40 EIAB O=C(CCCc1ccncc1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 409412857 UBASCEWOHZHVDS-KRXUUXHPSA-N 334.463 4.103 0 40 EIAB C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CCCO1 543428878 HNOTUDVFMDDQRB-YJBOKZPZSA-N 331.460 4.074 0 40 EIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccsc1 618256325 QYCIDRUFIHBUCS-LLVKDONJSA-N 335.475 4.002 0 40 EIAB C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[C@@H]1c1ccccc1 1641879527 JUQYNNPYDABHCC-PBHICJAKSA-N 344.405 4.029 0 40 EIAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775967441 RNULUJVCGRCSMX-AWEZNQCLSA-N 342.420 4.172 0 40 EIAB Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1C 38554 QKEJELIEIPMFCW-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1C(C)(C)C 51838 YOCUHIGZJJBCGD-KRWDZBQOSA-N 327.453 4.270 0 40 EIAB CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1C 53124 RHGKMOQEQVQATP-UHFFFAOYSA-N 349.477 4.272 0 40 EIAB COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 73679 KNSAVUKBRPTZSR-UHFFFAOYSA-N 346.839 4.218 0 40 EIAB COc1ccc(N2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1 175199 MAOZIGNMTUPQNT-UHFFFAOYSA-N 337.762 4.302 0 40 EIAB CC1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 217782 JVGZKCBMNBHWPR-UHFFFAOYSA-N 331.419 4.169 0 40 EIAB Cc1ccccc1OCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 367837 HGODHHZNMCLFEW-UHFFFAOYSA-N 326.179 4.025 0 40 EIAB CCn1c(SCc2ccccc2)nnc1-c1ccc(OC)cc1 421551 NAIOPLVAHDRXPO-UHFFFAOYSA-N 325.437 4.266 0 40 EIAB COc1ccccc1-c1nnc2sc(-c3ccccc3Cl)nn12 531520 OUUPYYHRIWUIJY-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccccc1 1377820 DZORMPAXYITINQ-ROUUACIJSA-N 340.492 4.064 0 40 EIAB CCOc1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 2714024 PDRKNGUQULEIDX-UHFFFAOYSA-N 334.347 4.226 0 40 EIAB CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)c3ccccc3)c12 4745973 ZCTITRLINOITLJ-CQSZACIVSA-N 336.387 4.314 0 40 EIAB CCn1cc(NC(=O)NCCn2ccc3ccccc32)c2ccccc21 5266101 PDVQOLTZCULUNL-UHFFFAOYSA-N 346.434 4.438 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccc(Br)c1)c1ccccc1 5557660 LPBBRCRBYMJHMD-NHAQELONSA-N 330.225 4.340 0 40 EIAB COC(=O)c1ccc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc1 5840372 SVWKFRBZNMVOKW-PTNGSMBKSA-N 340.766 4.260 0 40 EIAB CC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2C)c2ccccc12 6960673 CYWJUCBDMHYGKL-UHFFFAOYSA-N 340.810 4.444 0 40 EIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C(C)C)cc1 8342763 CTFBUTMMEOKRCX-UHFFFAOYSA-N 326.396 4.029 0 40 EIAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C 8753073 CEWPTAYMEWANIJ-FOIQADDNSA-N 338.451 4.203 0 40 EIAB COc1ccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 8985413 GWAQDBWSICHZHT-MRXNPFEDSA-N 343.448 4.219 0 40 EIAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(F)c(Cl)c1 9071034 WTOSUUDKTAUSCB-UHFFFAOYSA-N 339.798 4.127 0 40 EIAB Cc1sc2ncnc(SCc3nccn3C(F)F)c2c1C 9366957 QQCWQLQEMXEGJO-UHFFFAOYSA-N 326.397 4.192 0 40 EIAB CCCC(=O)n1nc(-c2cccs2)nc1NCc1cccs1 9667664 SMICVQJWTOYVEV-UHFFFAOYSA-N 332.454 4.121 0 40 EIAB O=C(c1ccc(F)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 9900027 ZCMYYWZVMDRAKT-UHFFFAOYSA-N 328.774 4.159 0 40 EIAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 10111741 MOKLAUSCDLQRQL-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB COc1cccc(NC(=O)NCCOc2ccc3ccccc3c2)c1 11555169 SKUGWHNFTSGGOC-UHFFFAOYSA-N 336.391 4.049 0 40 EIAB CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 12542618 QNTWEDSWNAFNKL-GFCCVEGCSA-N 334.366 4.290 0 40 EIAB COc1ccccc1-c1noc(CN2c3ccccc3CC[C@H]2C)n1 12565454 LZBQEFFRVOZVOJ-CQSZACIVSA-N 335.407 4.087 0 40 EIAB COc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12755413 RQOCRZFPFIRCFD-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 13068714 ZKECQDSQCJMSJV-CHWSQXEVSA-N 341.282 4.444 0 40 EIAB CC(=O)c1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 13819476 KLEQCHUKSMPTFE-UHFFFAOYSA-N 328.481 4.144 0 40 EIAB Cc1cc(O[C@H](C)C(=O)NCCc2ccccc2)cc(C)c1Cl 14401059 BERAKHAAJSDVRJ-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB CN(C[C@@H]1O[C@@H]2CCCC[C@@H]2c2sccc21)C(=O)c1ccco1 15024442 WQYRCQUADIFDJU-BJJXKVORSA-N 331.437 4.211 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 15526184 BABDGNNUQMPRKM-HNNXBMFYSA-N 342.414 4.222 0 40 EIAB CC(C)(C)OC(=O)N1CCC(c2nc3ccc(F)cc3cc2N)CC1 19083184 VLXVYEUQOAZNSI-UHFFFAOYSA-N 345.418 4.071 0 40 EIAB CSc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)cc1 20022768 OJTRAFLZDILCEK-GFCCVEGCSA-N 335.856 4.318 0 40 EIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1 20137363 LLMNWBUZDDKTLG-UHFFFAOYSA-N 327.767 4.345 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)O)c2C)c1 20144109 KDBLISRCGBVBDG-UHFFFAOYSA-N 341.407 4.143 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)cc1 20453572 GYRSRPBPSKZLSQ-KBXCAEBGSA-N 329.465 4.443 0 40 EIAB Cc1cc2ncn(CC(=O)N[C@H](C)c3cc4ccccc4o3)c2cc1C 22319824 ASUQNQBBLWCXRY-OAHLLOKOSA-N 347.418 4.277 0 40 EIAB O=c1c2scc(-c3ccccc3)c2ncn1Cc1ccccc1F 23126381 OQLYGJTTWLSGDF-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 25421123 ZNMHWYKYSJSLGU-INIZCTEOSA-N 342.439 4.073 0 40 EIAB Cc1nc(/C=C/c2c[nH]c3ccccc23)nc(-c2ccccc2O)n1 30781671 AALKBLANLNPFBS-ZHACJKMWSA-N 328.375 4.204 0 40 EIAB O=C(Oc1ccc2c(-c3ccc(F)cc3)noc2c1)c1cccnc1 32104853 PHSQGKGHBONTCI-UHFFFAOYSA-N 334.306 4.248 0 40 EIAB CC(C)(CNC(=O)[C@H]1CC=CCC1)c1ccc(Br)cc1 32931318 WMWCUTRGJXOGGE-ZDUSSCGKSA-N 336.273 4.199 0 40 EIAB Cc1ccccc1NCN1C(=O)S/C(=C\c2ccccc2F)C1=O 33744644 VXPSJKGQAHQZES-YBEGLDIGSA-N 342.395 4.240 0 40 EIAB CCCCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1 35672814 AAKDFOAXMVIDQA-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB COCc1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 36394179 RQGLPGIMJQRJHP-OAHLLOKOSA-N 326.440 4.396 0 40 EIAB C[C@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl 57816050 JRBMEBKRDFUZIT-HNAYVOBHSA-N 342.870 4.354 0 40 EIAB O=[S@](CCCOc1ccc(F)cc1)Cc1ccc(Cl)cc1 58130894 HFEJTXMEUUKAGT-NRFANRHFSA-N 326.820 4.197 0 40 EIAB COc1ccccc1-c1nnc(COc2ccc(Cl)c(C)c2)o1 62663064 ZVANSRLEWNLCQI-UHFFFAOYSA-N 330.771 4.286 0 40 EIAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cc[nH]c2=S)cc1 65487470 GNTXZUKUVKPHOU-UHFFFAOYSA-N 349.459 4.436 0 40 EIAB Cc1nccn1Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 65523458 HZLRIHXXQQCWKN-UHFFFAOYSA-N 331.375 4.238 0 40 EIAB COCc1ccccc1NC(=O)N[C@H](c1ccccc1)C(F)(F)F 69537228 WUBFYFPKWOKTMX-OAHLLOKOSA-N 338.329 4.258 0 40 EIAB Cc1ccc(CN(C(=O)c2cnccn2)[C@@H]2CCc3ccccc32)cc1 71808659 JWJDKNASRWFGDZ-OAQYLSRUSA-N 343.430 4.115 0 40 EIAB C[C@@H](CN(C)C(=O)c1ccccc1-c1cncnc1)c1ccccc1 71921735 HYHQSMDWOZZDQP-INIZCTEOSA-N 331.419 4.019 0 40 EIAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(Br)ccc1Cl 80155050 SKQJNKGDJVOORT-IGJMFERPSA-N 328.637 4.021 0 40 EIAB CC(=O)Nc1cccc([C@@H](C)NCc2cccc(COC(C)C)c2)c1 95420471 VQHKZLDNJMCOLK-MRXNPFEDSA-N 340.467 4.421 0 40 EIAB CCOc1c(Cl)cc(CN[C@H](C)c2cncc(F)c2)cc1OC 95420547 HTASLQYLBBIGMG-LLVKDONJSA-N 338.810 4.132 0 40 EIAB O=C(NCc1ccncc1)c1ccc(Sc2ccc(Cl)cc2)o1 96012245 KMQNNRGKOMKIHM-UHFFFAOYSA-N 344.823 4.409 0 40 EIAB Cc1cnc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)cn1 96476667 FYYKIAOMBVUMTQ-QGZVFWFLSA-N 346.272 4.179 0 40 EIAB c1ccc(-c2nccs2)c(OCc2nnc(C3CC3)n2C2CC2)c1 97103801 UXFOEDIIWHJQDF-UHFFFAOYSA-N 338.436 4.193 0 40 EIAB Cc1ccccc1N1C(=O)/C(=C/N2CCCCC2)c2ccccc2C1=O 100103952 HTVDJKDQJPRRLN-XDJHFCHBSA-N 346.430 4.009 0 40 EIAB CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@H]1[C@@H]2C 100529313 KPUIORAMYKZOGW-ZBCLNLFISA-N 329.440 4.489 0 40 EIAB O=C(CO)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118077995 LGLZUEJGJVVTSR-UHFFFAOYSA-N 347.581 4.337 0 40 EIAB Cc1cscc1NC(=O)NCC1(c2ccccc2C)CCOCC1 123719168 QUDTWBGXTCEEGR-UHFFFAOYSA-N 344.480 4.235 0 40 EIAB CCOC(=O)c1ccc(OC(=O)c2cccc(Cl)c2)c(OCC)c1 216782173 NLQQMGMKSCRLTL-UHFFFAOYSA-N 348.782 4.135 0 40 EIAB CCc1ccc(CC)c(CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 223572028 JSWTVSHJSMGWKO-UHFFFAOYSA-N 345.508 4.215 0 40 EIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1 224458428 OIWRFQNYAVNRPC-OAQYLSRUSA-N 349.430 4.192 0 40 EIAB Cc1cc(OCC(=O)NCCSC2CCCC2)cc(C)c1Cl 225013332 PSFQIDXIPULLDA-UHFFFAOYSA-N 341.904 4.128 0 40 EIAB COc1ccc(C)cc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225118062 MRBFISVUEVNCCH-IBGZPJMESA-N 328.408 4.202 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(C)c1 225701979 DVXCONCDQRJETF-SFHVURJKSA-N 326.465 4.368 0 40 EIAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 253499603 LDIFWCUQQYZOLG-FAFFLCSJSA-N 346.511 4.020 0 40 EIAB biogenic COc1ccc(CSCC(=O)Nc2cccc(OC(C)C)c2)cc1 408563729 OPMZGQBFBBKTRL-UHFFFAOYSA-N 345.464 4.354 0 40 EIAB COc1ccc(N(C)C(=S)Nc2ccc3nc(C)sc3c2)cc1 408976987 HJGSHZGTOGIBJG-UHFFFAOYSA-N 343.477 4.447 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)n(O)c1C(=O)OCc1ccccc1 575410999 UHPSIGHYONVPTH-UHFFFAOYSA-N 342.782 4.106 0 40 EIAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1ccc2ccccc2c1 44899 YXDGNSIZTUIGBL-UHFFFAOYSA-N 348.789 4.086 0 40 EIAB Cc1cc(C)n(-c2c(-c3ccccc3)c(=O)n(C)c3ccccc23)n1 344086 FQDTULOJBQDIDI-UHFFFAOYSA-N 329.403 4.008 0 40 EIAB Cc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 344916 BVDLBRFXKHVUIO-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3cccs3)o2)c1 415495 ZYKOVXOJMMZGJF-UHFFFAOYSA-N 330.434 4.390 0 40 EIAB CCOC(=O)c1sc(Nc2ccc(Br)cc2)nc1C 546488 JTUFIQNTLMJXON-UHFFFAOYSA-N 341.230 4.134 0 40 EIAB O[C@H]1c2c(ccc3ccccc23)CC[C@@H]1[C@H]1NCCc2ccccc21 1569676 NXHJGRJQTMOMRC-AKIFATBCSA-N 329.443 4.323 0 40 EIAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1C 2334972 HEWQEWWODKTSDN-UHFFFAOYSA-N 344.871 4.221 0 40 EIAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(=O)OC)C1 2757030 MQLHHBBYNFQXBC-GFCCVEGCSA-N 349.496 4.424 0 40 EIAB CC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2Cl)c1 3426844 DTKHPTNHNQKFKB-UHFFFAOYSA-N 337.206 4.247 0 40 EIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cn1 3503934 SWDIMKKQLKQVRP-SECBINFHSA-N 349.868 4.464 0 40 EIAB COc1ccc(NC(=O)CSc2c(C)[nH]c3ccccc23)cc1 4106378 XJOXNNFPMDWCQH-UHFFFAOYSA-N 326.421 4.216 0 40 EIAB C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 4216478 FMPNFDSPHNUFOS-LPJDIUFZSA-N 345.527 4.419 0 40 EIAB biogenic,in-vivo O=C(NCc1ccc(-n2cccc2)cc1)c1cc(F)c(F)cc1Cl 4628869 UXIWMCSRUBKVNQ-UHFFFAOYSA-N 346.764 4.339 0 40 EIAB Cc1cc(NC(=O)C(=O)Nc2cccc3ccccc23)ccc1Cl 4907942 HJGSUYQJIOZVIA-UHFFFAOYSA-N 338.794 4.379 0 40 EIAB O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccccn1 4956274 GWIIYOZJCPEXJL-JLHYYAGUSA-N 343.361 4.090 0 40 EIAB O=c1[nH]c2ccc(NCc3ccc(-c4ccc(Cl)cc4)o3)cc2[nH]1 4973806 KKMLQLYDCYSQHK-UHFFFAOYSA-N 339.782 4.382 0 40 EIAB aggregator Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5698417 MUWKYYQWHMRRNF-MDWZMJQESA-N 341.754 4.102 0 40 EIAB C[C@H]1CCCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)C1 6008019 PWGBPXYUGNRPLF-FXAWDEMLSA-N 331.500 4.206 0 40 EIAB C/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(N)cc1 7063380 FEPYKDVXDNROOH-ADGWQJBRSA-N 341.414 4.365 0 40 EIAB CCc1noc(C)c1C(=O)N(c1ccccc1)c1nc(C)cs1 7736967 CYJPPHFXZOASFL-UHFFFAOYSA-N 327.409 4.289 0 40 EIAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc2ccccc2c1 8342996 BQKHXYFJZXGUAX-UHFFFAOYSA-N 337.322 4.058 0 40 EIAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCCCCC3)ncnc21 8582973 VJNQYKZIBJRTDW-UHFFFAOYSA-N 341.846 4.158 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)o1 9723089 LVYNLZAROOZSGF-UHFFFAOYSA-N 344.411 4.207 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)C1(C)C 11263115 QBTYTGNUKYWESL-VQIMIIECSA-N 340.419 4.383 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C(C)(C)C 11613714 VKENIUOYRGDYRY-UHFFFAOYSA-N 347.480 4.410 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCCn1ccc2ccccc21 12554953 OXJYHSWQUGXLOV-UHFFFAOYSA-N 342.826 4.123 0 40 EIAB COC(=O)c1sccc1NC(=O)Cc1ccc(Cl)cc1Cl 12756064 ZQMNPRSCQUNHLR-UHFFFAOYSA-N 344.219 4.023 0 40 EIAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(F)cc2)no1 12879923 ZIYWUHATOYSDIM-UHFFFAOYSA-N 342.713 4.303 0 40 EIAB Cc1ccc(CNC(=O)COc2cccc(Oc3ccccc3)c2)cc1 12979589 HEHBHFSEYWXAKE-UHFFFAOYSA-N 347.414 4.483 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c(OC)c1 13931402 VFKLVTSBUFJIFE-AWEZNQCLSA-N 344.480 4.368 0 40 EIAB CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccccc1 14182294 SSSMOWIQSNNNDT-QFIPXVFZSA-N 344.458 4.386 0 40 EIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc2C1 14396888 GGGOQCQYUFEHGR-INIZCTEOSA-N 337.463 4.336 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1 14796901 XYMRCVQXPRUIAT-UHFFFAOYSA-N 327.334 4.020 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 14908869 QXTWRZRYYBIUGY-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB COc1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 16237516 CNOOILRXCNWYQE-UHFFFAOYSA-N 340.370 4.201 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1OC 20483715 LAACIUNZOITMJO-INIZCTEOSA-N 333.815 4.453 0 40 EIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 22530311 JVNOJSZXEYOYQE-OAHLLOKOSA-N 343.423 4.035 0 40 EIAB Cc1cc(SCc2cc(Cl)c3c(c2)OCCCO3)nc(C)n1 24567870 RAIUWSSAVQZXFT-UHFFFAOYSA-N 336.844 4.200 0 40 EIAB COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 26894636 GICRIQQPXPKWNB-SJORKVTESA-N 340.814 4.086 0 40 EIAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 27463829 ZHBNFMGIXSDJOD-AWEZNQCLSA-N 329.444 4.097 0 40 EIAB Cc1ccc(-c2csc3ncn(Cc4ccccn4)c(=O)c23)cc1C 31748168 MSMLRINABVGWJD-UHFFFAOYSA-N 347.443 4.185 0 40 EIAB O[C@H](CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 33015076 NLYDMZIZDAUGBL-SJLPKXTDSA-N 338.476 4.209 0 40 EIAB Cc1nc(-c2ccc(NC(=O)CCOc3ccccc3)cc2)oc1C 33738543 DXNGWRXAFINPNT-UHFFFAOYSA-N 336.391 4.366 0 40 EIAB O=C1C[C@H](c2ccsc2)c2snc(-c3ccc(F)cc3)c2N1 35324578 RZZTWXDAEPFCHI-GFCCVEGCSA-N 330.409 4.485 0 40 EIAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cc(C)on3)c2c1 46086125 DVNMHPMWIZPBOR-UHFFFAOYSA-N 328.368 4.469 0 40 EIAB COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccoc2)cc1 47088879 WTHYNLGUZLPXGL-GOSISDBHSA-N 328.412 4.115 0 40 EIAB CCCc1noc([C@@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)n1 48314943 HHDDRNCPOIJZSJ-SNVBAGLBSA-N 332.404 4.405 0 40 EIAB C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccc2ncccc2c1 57731503 RVKYZGGJNMQFHU-QGZVFWFLSA-N 349.453 4.080 0 40 EIAB CC[C@H](C)NC(=O)c1oc2ccccc2c1CSc1ncccn1 58282847 BNVGGUGEQPPSAV-LBPRGKRZSA-N 341.436 4.043 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)sc2C)c1 58341258 NZDVFUWJHPMZPB-GFCCVEGCSA-N 346.452 4.343 0 40 EIAB Brc1cnc(NCc2ccccc2)c(Br)c1 59116496 DSUZPEUAEKUVGY-UHFFFAOYSA-N 342.034 4.219 0 40 EIAB O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccn1 60237862 ILEPTIXHWWBKOM-LJQANCHMSA-N 338.357 4.074 0 40 EIAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(Cl)o4)C3)[nH]c2c1 67158634 MDRPLUWQPVOCRR-GFCCVEGCSA-N 343.814 4.138 0 40 EIAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccsc2)c1 68733312 OFXZDEDSIPHVPG-KSSFIOAISA-N 343.448 4.082 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72215087 CLQMIJQJGWZDMN-ZBFHGGJFSA-N 333.476 4.388 0 40 EIAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1C(=O)OC(C)(C)C 72218858 NZPYRXQKQOKJJR-MRXNPFEDSA-N 331.460 4.062 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3c(F)cc(F)cc3F)cc2)n1 72506706 SBSJQCVNHHJKIG-UHFFFAOYSA-N 345.324 4.159 0 40 EIAB c1cc(Sc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)ccn1 77214601 OSCXCAJSYTUNRK-UHFFFAOYSA-N 347.403 4.001 0 40 EIAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1nnc(-c2ccsc2)s1 83559411 JLICEOAGMTWGPD-WZRBSPASSA-N 348.497 4.452 0 40 EIAB Cc1ccccc1CC(=O)NCc1sc(-c2cccs2)nc1C 85470951 WWVOLMSAGILDKE-UHFFFAOYSA-N 342.489 4.347 0 40 EIAB Cc1csc([C@H](NC(=O)N(C2CC2)[C@@H](C)c2ccco2)C2CC2)n1 86424500 ISMGKSAGPYIYAM-BLLLJJGKSA-N 345.468 4.431 0 40 EIAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccco2)c1 89469823 AEZBJJUUNWVLJM-LJQANCHMSA-N 346.386 4.280 0 40 EIAB CCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(NC(C)=O)c1 95995417 KAHJHYLYWRYPNX-UHFFFAOYSA-N 349.793 4.122 0 40 EIAB C[C@@H]1CCCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 102422810 RIAHUMHFOFRFFL-QZTJIDSGSA-N 336.479 4.013 0 40 EIAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1C 106684962 ZRPAQBMJJOFNFK-BOPFTXTBSA-N 340.448 4.361 0 40 EIAB CSc1ccsc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 107130453 RSJSKQYHFCVQON-GDBMZVCRSA-N 347.505 4.368 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21 113959922 LGWVMDXJBHXCBW-ROUUACIJSA-N 327.399 4.177 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 219528102 HKGVDHOYJPKHOQ-SFHVURJKSA-N 325.452 4.128 0 40 EIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC 222949254 YVSHILHYHQLNTO-KRWDZBQOSA-N 327.424 4.417 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1OC 224054834 XAQDVJBOACZRSU-GUYCJALGSA-N 347.842 4.383 0 40 EIAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc2cc(OC)ccc2c1 225119198 CMVNAQQFPOYZJS-OAHLLOKOSA-N 349.496 4.343 0 40 EIAB CC(C)Sc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 225861896 LLJCHHJTVDMIKM-UHFFFAOYSA-N 331.825 4.083 0 40 EIAB CC(C)C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C 575473064 BXXYUKPTPRBHNO-LBPRGKRZSA-N 327.424 4.354 0 40 EIAB CC1(C23C[C@@H]4C[C@@H](CC(N5C(=O)c6ccccc6C5=O)(C4)C2)C3)CC1 154744 GZLUEKJPEODFLD-BXBLUCELSA-N 335.447 4.422 0 40 EIAB Cc1ccc(-c2nnc(COc3ccc4c(C)cc(=O)oc4c3)o2)cc1 420329 LFWDWLDJUHXWPP-UHFFFAOYSA-N 348.358 4.039 0 40 EIAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 491244 AOYBIWCQSGSYJF-UJMXGEILSA-N 328.452 4.037 0 40 EIAB biogenic O=C(Nc1ccccc1)SCCSC(=S)N1CCCC1 1580507 YPHHSWAXLKCYTB-UHFFFAOYSA-N 326.512 4.066 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(s1)CCCC2 3524326 SLIDNSWXJPTXEH-UHFFFAOYSA-N 341.461 4.398 0 40 EIAB COc1ccc(NC(=O)c2ccccc2Br)cc1Cl 3615771 KECCKEFKFSQFIJ-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB C[C@@H](c1ccccc1)[C@H](CC(=O)O)C(=O)Nc1ccc(Cl)cc1 4592074 YCFPMUGWEZOBGH-LRDDRELGSA-N 331.799 4.173 0 40 EIAB Cc1ccccc1C1=Nn2c(nnc2-c2cccc(Cl)c2)SC1 5518983 BTQXNTGXOCJAEM-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB Cc1sc2ncnc(S[C@@H](C)C(=O)NC3CCCCC3)c2c1C 6113328 SAFLFEZPVKAAPK-LBPRGKRZSA-N 349.525 4.238 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 6153068 OYEHPXZONZIWSG-SNVBAGLBSA-N 327.277 4.251 0 40 EIAB CCNC(=O)c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 6349319 OIOOSHHUABZTJM-UHFFFAOYSA-N 333.815 4.067 0 40 EIAB O=C(Nc1ccccc1Cc1ccccc1)c1cnc2ccccc2n1 6646756 KOAGZUZRBFNUAL-UHFFFAOYSA-N 339.398 4.473 0 40 EIAB COC(=O)c1cn(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 6735208 AOBULWSQPGPWAE-UHFFFAOYSA-N 337.419 4.285 0 40 EIAB CCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752573 IUXMPXTYPSGRLN-UHFFFAOYSA-N 341.499 4.466 0 40 EIAB Cc1c(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc2n1C 7462376 USXBVISUPKMLAM-UHFFFAOYSA-N 335.432 4.338 0 40 EIAB Brc1cc2c(cc1-c1nc3ccccc3s1)OCO2 8131737 UENRGUPIJCUXTF-UHFFFAOYSA-N 334.194 4.455 0 40 EIAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1 9141374 SBYRNLSUJLRTQE-UHFFFAOYSA-N 346.365 4.120 0 40 EIAB Cc1ccc(C2(O)CCN(Cc3[nH]c4ccccc4c3C)CC2)cc1 12292922 CZRWFLGAEAZKRK-UHFFFAOYSA-N 334.463 4.268 0 40 EIAB Cc1ccc(C)c([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 12592553 HPZIMOKHXZNBFJ-OXJNMPFZSA-N 336.435 4.049 0 40 EIAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccccc1 12764182 MFFNJOTUDQMNOJ-UHFFFAOYSA-N 338.310 4.447 0 40 EIAB CCOc1c(Cl)cc(/C=C/C(=O)NC(C)(C)CC)cc1OC 13005613 LVQZUPSXOAJFFO-CMDGGOBGSA-N 325.836 4.065 0 40 EIAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 13068712 ZKECQDSQCJMSJV-QWHCGFSZSA-N 341.282 4.444 0 40 EIAB Cc1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)o1 15860244 XHJBJMHRCUMTTP-FQEVSTJZSA-N 348.446 4.308 0 40 EIAB CCn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12 18101552 QEJGLLHFXRQCGD-UHFFFAOYSA-N 335.436 4.134 0 40 EIAB Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)s1 22131221 HDARSQNHWWAULR-SNVBAGLBSA-N 348.493 4.239 0 40 EIAB O=C(NCc1ccco1)c1cccc(OCc2ccccc2Cl)c1 22258261 DGAGECCQZMQWBS-UHFFFAOYSA-N 341.794 4.442 0 40 EIAB Cc1cc(C)cc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 22981536 POVMIMXKTKBRCH-UHFFFAOYSA-N 333.218 4.368 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 24708535 OSRPUVNOVRJGOK-CYBMUJFWSA-N 335.378 4.484 0 40 EIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc(F)c(F)cc1Cl 24894784 FYEUBZSPMKOIBS-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB COc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1OC 25097719 ZNUXREVQTGYMEI-UHFFFAOYSA-N 339.435 4.160 0 40 EIAB COc1ccc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCC2)cc1 25474851 YGZAZDPUIRIFES-UHFFFAOYSA-N 343.854 4.429 0 40 EIAB Cc1cccc(NC(=O)COc2ccc(Cl)c3cccnc23)c1 27756809 ABFHNFYFIBRTGJ-UHFFFAOYSA-N 326.783 4.214 0 40 EIAB COC(=O)Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=O 27986683 KDEOTFKTLOWJBG-UHFFFAOYSA-N 345.826 4.001 0 40 EIAB CCCn1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 28241166 MNQUIGSJGJMNMZ-UHFFFAOYSA-N 331.725 4.218 0 40 EIAB O=C(CCCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 30819284 WLINUHODTBNADO-UHFFFAOYSA-N 347.462 4.292 0 40 EIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1sc2ccccc2c1Cl 31255816 AJGDXIOLDXVWMB-UHFFFAOYSA-N 344.779 4.242 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 32632854 ULRMNPYOLCMPEK-UHFFFAOYSA-N 342.398 4.469 0 40 EIAB Cc1ccc(-c2nc(CC(=O)NCc3ccco3)sc2C)cc1C 32903002 CBRHGFHRZWIFHN-UHFFFAOYSA-N 340.448 4.187 0 40 EIAB S=C(c1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1 33383288 NEQLGLKHFNRBBO-UHFFFAOYSA-N 346.499 4.333 0 40 EIAB Cc1cc(NCc2cccnc2)n2nc(-c3ccc(Cl)cc3)cc2n1 35314959 FZEWLBQFIJHMPP-UHFFFAOYSA-N 349.825 4.365 0 40 EIAB Fc1ccc2oc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 35446905 RYSXPHMUGNAKMZ-LBPRGKRZSA-N 332.325 4.235 0 40 EIAB biogenic,in-vitro OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2cc(F)ccc2F)C1 36364874 LHVKPTNUOOWHFT-LBPRGKRZSA-N 343.308 4.413 0 40 EIAB O=C(Nc1ccccc1)N1CCC(Oc2ccccc2Cl)CC1 40893961 SDOSEQRJRBCTOB-UHFFFAOYSA-N 330.815 4.415 0 40 EIAB c1ccc2nc(Sc3nnc4sc5ccccc5n34)cnc2c1 42619958 SARKKZUIYPZLDO-UHFFFAOYSA-N 335.417 4.038 0 40 EIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C3CC3)[C@@H](C)C(C)C)c12 46445535 RBPFKDDWAWZEJT-AWEZNQCLSA-N 342.487 4.049 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccco1 48261579 RBHIJZSQQXEEAJ-CQSZACIVSA-N 343.386 4.381 0 40 EIAB CC[C@@H](NC(=O)Nc1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 58156932 IPDZIAAKUOYIME-MRXNPFEDSA-N 338.386 4.489 0 40 EIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCCCc2ccccc21 58356192 DNWPWFMJHQPQHW-UHFFFAOYSA-N 329.403 4.127 0 40 EIAB CC(C)c1ccc([C@@H](C)NCc2cn(C)nc2-c2cccnc2)cc1 65473732 UHMJSNVTZOBJDD-MRXNPFEDSA-N 334.467 4.456 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 69666387 VECFXHWEDCYRBQ-HZPDHXFCSA-N 331.847 4.476 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1ccnc(Oc2ccccc2)c1 69741986 ZRLFHGCSLTUVLV-UHFFFAOYSA-N 337.379 4.050 0 40 EIAB Cn1c(=O)c([C@@H]2SCC(O)=Nc3ccsc32)cc2ccccc21 71279392 LZIGYUMHIODUEJ-HNNXBMFYSA-N 342.445 4.024 0 40 EIAB COc1ccccc1Oc1ccc(C(=O)Nc2ncc(C)s2)o1 72265323 VTQAZUKQOBXJNL-UHFFFAOYSA-N 330.365 4.098 0 40 EIAB Fc1cc(CNC[C@H]2CCO[C@H]2c2ccccc2)c2ncccc2c1 89827826 AOIWXGOTERAUCY-UTKZUKDTSA-N 336.410 4.241 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 95389729 WMEDBOLNZAPMDO-HOTGVXAUSA-N 339.782 4.132 0 40 EIAB Cc1nc(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)cs1 95393404 IKGJUJWWZYPBEC-UHFFFAOYSA-N 348.475 4.398 0 40 EIAB C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 96483247 NFLRBCTZAOGMHB-KBPBESRZSA-N 336.501 4.202 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 100163977 SBAGARNROXJDSI-HFAKWTLXSA-N 327.852 4.017 0 40 EIAB CCc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102673184 RDBDNFODBLHUAL-MRXNPFEDSA-N 340.452 4.234 0 40 EIAB Cc1oc2ccccc2c1CNC(=O)N1CCC[C@@H]1c1cccn1C 185596996 LVGWEMDPEBJQGN-GOSISDBHSA-N 337.423 4.126 0 40 EIAB CO[C@@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1Cl 206850210 ZVULQJGKBDZKCW-AWEZNQCLSA-N 346.839 4.067 0 40 EIAB Cc1cc(-c2nc3ccccc3o2)ccc1I 216733290 MFSMNQHZZWIPQS-UHFFFAOYSA-N 335.144 4.408 0 40 EIAB Nc1nnc(/C=C/c2ccc(OCc3ccccc3F)c(Cl)c2)o1 216893658 WUUTWMGUSDKQKQ-SOFGYWHQSA-N 345.761 4.194 0 40 EIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1=CCCCC1 225098649 OAXOYBZIXYVDRS-HXUWFJFHSA-N 327.468 4.339 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225257226 SYULIJMVASWEQG-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB O=C(NCc1cccnc1-c1cccnc1)Nc1cccc(Cl)c1 225643444 NFRBBKMJLAGGDC-UHFFFAOYSA-N 338.798 4.119 0 40 EIAB S=C(Nc1ccc(Br)cc1)NC1(C2CC2)CCCC1 225846404 COZMGVMWZFAHSI-UHFFFAOYSA-N 339.302 4.458 0 40 EIAB Cc1cc(C)c2c(c1)sc(=NC(=O)Cc1ccc(C)c(C)c1)n2C 239808080 KGLXTNCEYWXYLV-UHFFFAOYSA-N 338.476 4.143 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257295151 QXEQBWXTJVQDGI-INIZCTEOSA-N 349.434 4.016 0 40 EIAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1F 585133296 DYQGHFLRBHLDPM-HNNXBMFYSA-N 345.418 4.284 0 40 EIAB O=C(COc1ccc(Cl)cc1)NCc1cc(-c2ccco2)cs1 1775968266 ASLVOQVKFDEGHA-UHFFFAOYSA-N 347.823 4.357 0 40 EIAB O=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)on1 425697 LWAJJHQMOOVUIT-UHFFFAOYSA-N 349.209 4.418 0 40 EIAB COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 533447 DFWTZRRIVNVWEW-IRXDYDNUSA-N 340.814 4.086 0 40 EIAB Cc1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)N3CCCN23)cc1 546620 AXKJDISEYVHZNG-QGZVFWFLSA-N 327.815 4.210 0 40 EIAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CCCCC1 586815 USHUMNIOONLQJR-UHFFFAOYSA-N 331.268 4.387 0 40 EIAB Cc1ccc(C(=O)[C@@H](O)[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 1394789 QIAUEJSGCORVTR-UNMCSNQZSA-N 337.463 4.074 0 40 EIAB Brc1cccc2c(I)cccc12 1704045 XUPYWKAKDZRRGW-UHFFFAOYSA-N 332.966 4.207 0 40 EIAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C 2632910 MPONUORKLAZGEY-OLZOCXBDSA-N 349.352 4.451 0 40 EIAB O=C1c2ccccc2-c2nn(C(=O)c3ccc(F)cc3)c3cccc1c23 3256363 VJSJNYGWSAIJDQ-UHFFFAOYSA-N 342.329 4.075 0 40 EIAB CCn1c(SCc2ccccc2)nc2c([nH]c3ccccc32)c1=O 5106557 NHHSLXVBTNPSLJ-UHFFFAOYSA-N 335.432 4.190 0 40 EIAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCCC1 5243049 MKVCYTSKDVDDAZ-UHFFFAOYSA-N 349.459 4.011 0 40 EIAB CCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1 5864676 MDMXLQFJYMVRAF-UHFFFAOYSA-N 334.213 4.490 0 40 EIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6061922 VMNIKHBOOYADTH-LLVKDONJSA-N 339.313 4.120 0 40 EIAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2)N3)C1 6594382 KHYZJXLSWMHELY-OAHLLOKOSA-N 347.871 4.208 0 40 EIAB COc1cc(CNC(C)(C)C)ccc1OCc1ccc(Cl)nc1 6882545 JIGCNCKDMGOREC-UHFFFAOYSA-N 334.847 4.211 0 40 EIAB C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 7309589 CNHUAIFWSPVTMV-LLVKDONJSA-N 344.263 4.075 0 40 EIAB Cc1nc(Nc2ccc(C(=O)N(C)C)cc2)c2c(C)c(C)sc2n1 8053425 SJHHYQHXHASECX-UHFFFAOYSA-N 340.452 4.062 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8190793 SPYPJLFQNQOHJV-UHFFFAOYSA-N 331.419 4.022 0 40 EIAB Cc1c(C(=O)Nc2ccnn2C2CCCC2)oc2ccc(F)cc12 8338192 XKMIORHMGPULMB-UHFFFAOYSA-N 327.359 4.444 0 40 EIAB CS(=O)(=O)c1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 8391528 JZGAUUVLSZDTPG-UHFFFAOYSA-N 333.409 4.020 0 40 EIAB Cc1nc2ccc(Br)cc2c(O)c1CN1CCC[C@H](C)C1 8714159 SOAHYGFICXUGFS-NSHDSACASA-N 349.272 4.243 0 40 EIAB CCCCNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936123 KIXBVDMHVMRTIL-UHFFFAOYSA-N 334.510 4.203 0 40 EIAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c(OC)c1 9315295 PJHUWMVDBKPNET-KGLIPLIRSA-N 331.799 4.099 0 40 EIAB CC(=O)SCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 9320417 YCBQREDWVOBHJV-UHFFFAOYSA-N 334.466 4.152 0 40 EIAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC 9447308 XKMQNMGHRUKJEF-UHFFFAOYSA-N 329.396 4.088 0 40 EIAB COc1ccc(-c2nnc(SCCc3ccccc3)o2)c(OC)c1 9495104 AVGQNNCTCDVVMN-UHFFFAOYSA-N 342.420 4.089 0 40 EIAB COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)c1 10410456 RBZUWXIXHGQAML-QGZVFWFLSA-N 332.350 4.342 0 40 EIAB COc1cccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)c1 11914855 VQSHWSWHSQSXSZ-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB C/C=C/c1ccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c(OC)c1 12374328 FPASBUHPYSLGMT-IJDCCNJMSA-N 349.515 4.272 0 40 EIAB O=C1C[C@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(F)cc1 15082885 ISGOYOKRMVERCW-JTQLQIEISA-N 330.746 4.141 0 40 EIAB COc1ccc(-c2cc(Nc3cccc(C(C)=O)c3)nc(C)n2)cc1 15859144 UVJYJWBXOOUJQH-UHFFFAOYSA-N 333.391 4.407 0 40 EIAB CCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 16070029 HENXEGXEYWGZRR-HNNXBMFYSA-N 326.827 4.479 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cn1 16227728 BOCALMSYILRJRH-UHFFFAOYSA-N 328.224 4.206 0 40 EIAB C[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 16694736 UOUNBQFJJVKJJQ-HUUCEWRRSA-N 347.462 4.214 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(OC)cc1 20493331 LHGGVQBRVMTXBW-SUMWQHHRSA-N 347.842 4.383 0 40 EIAB O=C(COc1ccc(F)cc1)N[C@H](c1ccc(Cl)cc1)C1CC1 21830092 XCEXEWFAUKFBEG-SFHVURJKSA-N 333.790 4.125 0 40 EIAB Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 33040097 FDAGOXUGRCZJLJ-STQMWFEESA-N 334.822 4.465 0 40 EIAB Cc1ccc2nc(SCC(=O)Nc3nccs3)c(C)cc2c1 35288639 QEEOMZPIPWVUCT-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1 41077052 HMQAZRSLPILOGE-UHFFFAOYSA-N 349.434 4.281 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(NC(C)=O)c1 44846366 KBKINXHHBWVXOZ-KRWDZBQOSA-N 346.814 4.095 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@H](c2cccs2)SC1 44921652 NCMWNKHDVMHEBW-OAHLLOKOSA-N 327.434 4.358 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(OC)ccc1OC 44947184 VWSGHSVAYJTAIR-OAHLLOKOSA-N 349.814 4.153 0 40 EIAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(C(F)(F)F)cc1 47298999 TXEQZCIADHUMHY-UHFFFAOYSA-N 333.269 4.008 0 40 EIAB Clc1ccc(-c2cnc(CN3CCO[C@H]4CCCC[C@@H]43)o2)cc1 51995236 FYBQSDNNYKDTNR-HOTGVXAUSA-N 332.831 4.138 0 40 EIAB O=C(NCc1cccnc1)N1CCc2sccc2[C@@H]1c1ccccc1 58054683 PFBDGHDDNRODLJ-IBGZPJMESA-N 349.459 4.000 0 40 EIAB CCOCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 68681180 SNEWECUJRIAOQQ-UHFFFAOYSA-N 340.354 4.141 0 40 EIAB COc1ccc(Cl)cc1C(=O)OCc1nc(Cl)ccc1Cl 69530203 NZWQLMWYIQWYOM-UHFFFAOYSA-N 346.597 4.407 0 40 EIAB C[C@H](NC(=O)/C=C/c1ccccn1)c1nc(-c2ccccc2)cs1 69705306 QTCZBMRRESAERN-VNDWYCCKSA-N 335.432 4.096 0 40 EIAB Cc1ccccc1NC(=O)N1CCC[C@H](CN2CCCC[C@@H]2C)C1 71911681 DAPGXQOUCOUGBX-ZWKOTPCHSA-N 329.488 4.113 0 40 EIAB Cc1cccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359427 GGCQLRLORIEJRY-IBGZPJMESA-N 344.462 4.227 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)N[C@@H](CCCO)c2ccccc2)c1 77699139 PEPAMKLFSZSISP-BEFAXECRSA-N 342.439 4.029 0 40 EIAB CC(C)n1cc(CCCC(=O)NCc2ccncc2)c2ccccc21 79492882 IFUOWIOMAHLTPQ-UHFFFAOYSA-N 335.451 4.256 0 40 EIAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CCSCC2)cc1 85651253 ANQGVAIRLACHRT-UHFFFAOYSA-N 331.868 4.120 0 40 EIAB Cc1csc(CNC(=O)Nc2cccc(-c3nc(C)cs3)c2)n1 96403216 QGRCHFXGLQVJJU-UHFFFAOYSA-N 344.465 4.205 0 40 EIAB CCN(C(=O)c1cnc2c(cnn2CC(C)C)c1)c1ccccc1C 97000231 CYAOJOIRTMVWQP-UHFFFAOYSA-N 336.439 4.062 0 40 EIAB C[S@](=O)Cc1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 97233991 UNECVAPURIXFAC-GBXCKJPGSA-N 336.460 4.162 0 40 EIAB C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105411161 NWAJCNWYMSTERC-VAIKHHIQSA-N 348.284 4.403 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CCCc2ccccc21 113950863 SXMVFWSPBPSMIQ-WOJBJXKFSA-N 339.435 4.046 0 40 EIAB O=C(NCC[C@@H](CCO)c1ccccc1)Nc1ccccc1Cl 206630440 KKKYQESQOPBNEB-HNNXBMFYSA-N 332.831 4.018 0 40 EIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 216374991 JZGNHBJAUKRENM-SFHVURJKSA-N 349.386 4.334 0 40 EIAB Cc1cc(C(=O)N2CCS[C@H](c3ccccc3F)CC2)c(C)o1 219105565 JJLCXBACHXCFIW-KRWDZBQOSA-N 333.428 4.356 0 40 EIAB CCOc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219849515 KJQTUXNLCFSXCC-UHFFFAOYSA-N 338.451 4.249 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(C)=O)c1 222957011 BFALIOAHXSESBQ-GOSISDBHSA-N 325.408 4.302 0 40 EIAB O=C(NCCOCc1ccccc1)c1ccc(-c2ccccc2)cc1 223445544 SITVUFCLBLHHNH-UHFFFAOYSA-N 331.415 4.300 0 40 EIAB CCc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC 223679759 KMUXQSYUIARERZ-UHFFFAOYSA-N 339.844 4.020 0 40 EIAB CSc1cccc(NC(=O)COc2cccc3c2CCCC3)c1 224461117 AQFGGIBNLALBOJ-UHFFFAOYSA-N 327.449 4.305 0 40 EIAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C(C)C 224636051 KQWQRIQLJCATPZ-UHFFFAOYSA-N 341.517 4.312 0 40 EIAB Cc1c(Cl)cccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225070569 PRBKQKYXLGXCNE-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1 225105195 IAWLYTXXWVZIBC-SFHVURJKSA-N 325.452 4.128 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 225458702 KZKWJDYNNPPTAE-UHFFFAOYSA-N 345.443 4.165 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)ccc1F 225608233 VSIZTAYWVYDNQG-OAHLLOKOSA-N 349.471 4.169 0 40 EIAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl 225642144 GVKPQUIOMKVTOA-UHFFFAOYSA-N 325.836 4.273 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12)OCCO3 253596342 QGISYVREUUQQKE-NDOCZDNFSA-N 332.484 4.341 0 40 EIAB CCOC(=O)C1=CNc2c(-c3ccccc3)cnn2[C@H]1c1ccccc1 409024981 JKFVTHRYDMVTAW-IBGZPJMESA-N 345.402 4.012 0 40 EIAB O=C(NCc1ccc(-c2cccs2)o1)C1(c2ccc(F)cc2)CC1 575608743 KNBUSGZJJZMBRN-UHFFFAOYSA-N 341.407 4.495 0 40 EIAB O=C(Nc1ccc(Cl)c(F)c1)c1nc(-c2ccc(Cl)o2)no1 579534426 TVVPXMIPNPAWKO-UHFFFAOYSA-N 342.113 4.028 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)c1cc2ccccc2[nH]1 585366617 LCKOZHYVDZWDHM-UHFFFAOYSA-N 333.416 4.221 0 40 EIAB Oc1cccc(OCCCC(F)(F)C(F)(F)Br)c1 1083809742 BLVDXIVFRUPRJX-UHFFFAOYSA-N 331.103 4.174 0 40 EIAB CC(=O)c1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1 113703 IZKTUNFFYLQVEG-YBEGLDIGSA-N 344.208 4.264 0 40 EIAB C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)C1 143772 OMYKNZZMPOLBBY-MRVPVSSYSA-N 342.675 4.067 0 40 EIAB COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c(OC)c1 238312 CHXTVRNLTWJKCR-UHFFFAOYSA-N 333.387 4.208 0 40 EIAB Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)n1 283797 XZZCLOQOKWDMGP-UHFFFAOYSA-N 335.432 4.329 0 40 EIAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)ccc1Br 577763 JSXPIHASNNXOKY-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CCCCC2)c1 1370216 YVHGGZJXJONEOT-NHCUHLMSSA-N 340.511 4.443 0 40 EIAB CC(C)(C)c1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1 1388836 ZJJYHSNKJWJOTB-UHFFFAOYSA-N 338.329 4.289 0 40 EIAB CCc1ccc(Nc2nnc(S[C@@H]3CCCCC3=O)s2)cc1 2627275 SFVIRBMSIDPPOC-CQSZACIVSA-N 333.482 4.448 0 40 EIAB O=C1c2cccc(OCc3ccccc3)c2CCN1Cc1ccccc1 2716319 AHLSTILLZPQSFJ-UHFFFAOYSA-N 343.426 4.464 0 40 EIAB CC(C)NC[C@H](O)Cn1c(-c2ccccc2)ccc1-c1ccccc1 3073615 PXGOIOUHKMXSQH-FQEVSTJZSA-N 334.463 4.181 0 40 EIAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C12CC3CC(CC(C3)C1)C2 4028038 QJFVOGPINUBXND-GELQRLDPSA-N 331.500 4.011 0 40 EIAB biogenic CC(C)c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 4071011 XFDPJZPQZJJNNX-UHFFFAOYSA-N 330.453 4.163 0 40 EIAB O=C(OCc1csc(-c2ccccc2)n1)c1n[nH]c2ccccc12 4822993 BYIDBWDIOMOJCV-UHFFFAOYSA-N 335.388 4.043 0 40 EIAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1 5079815 RTPAJJJCIBECET-UHFFFAOYSA-N 348.402 4.154 0 40 EIAB COc1ccccc1CC(=O)Nc1cc(Cl)ccc1N1CCCC1 5200752 JBAFDSRZNQZIGJ-UHFFFAOYSA-N 344.842 4.130 0 40 EIAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374004 YOKYBHQAYAIECU-UHFFFAOYSA-N 342.464 4.326 0 40 EIAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(F)cc1 5463414 NUINYBZZKRGBIW-UHFFFAOYSA-N 327.783 4.490 0 40 EIAB COc1ccc(N2C(=O)c3ccccc3N[C@]23C[C@@H]2CC=C[C@@H]23)cc1 5867985 LCYMPMHYRUSCCD-DHUIEDIVSA-N 332.403 4.060 0 40 EIAB Cc1nc2ccccc2nc1SCc1ccc(O)c2ncccc12 6825248 WVFOVVFTNWXUFI-UHFFFAOYSA-N 333.416 4.484 0 40 EIAB S=c1[nH]ncn1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7602199 FDDBAIMCWWPCHV-UHFFFAOYSA-N 341.223 4.251 0 40 EIAB COc1cc(NC(=O)c2cc3ccccc3[nH]2)c(OC)cc1Cl 8031940 ODSOPFXZYTYQFN-UHFFFAOYSA-N 330.771 4.091 0 40 EIAB CCc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8075953 IUFINNJMXZYRGY-UHFFFAOYSA-N 334.375 4.347 0 40 EIAB CCc1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 8305483 LIXFBUHWTGLRTA-UHFFFAOYSA-N 347.842 4.491 0 40 EIAB Cc1noc(C)c1CC(=O)NCCC(c1ccccc1)c1ccccc1 8342600 NTVOKLDFHISHNQ-UHFFFAOYSA-N 348.446 4.172 0 40 EIAB CCc1ccc2nc(C)c(CN3CCc4ccccc4C3)c(O)c2c1 8571851 QEMXHCCDEXOTRI-UHFFFAOYSA-N 332.447 4.370 0 40 EIAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)cc1 8915726 ARFXCTNFXWBIOW-UHFFFAOYSA-N 337.379 4.086 0 40 EIAB Cc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3C)cc1 9273238 AWOZQMJIISUROH-UHFFFAOYSA-N 344.422 4.027 0 40 EIAB Cc1cccc(OCc2nnc(-c3ccc(Br)cc3)o2)c1 9366125 QVIYBHHBMIVMSG-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2[nH]nnc2c1 12547437 WJLYJYZSVCWCNU-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB CC[C@H](C)[C@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 12780262 JLRHRXMBQHEXMX-LIRRHRJNSA-N 327.424 4.472 0 40 EIAB Cc1ccc(C)c(NC(=O)c2oc3c(c2C)[C@H](O)CC(C)(C)C3)c1 13680697 AWAQRQQPUHBJRO-OAHLLOKOSA-N 327.424 4.463 0 40 EIAB Oc1cc2ccccc2cc1-c1nnc2n1-c1ccccc1SC2 15974629 RUKYQWVLZITMAL-UHFFFAOYSA-N 331.400 4.399 0 40 EIAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(Br)cc1 15997549 FPRMTFLDXVJZEN-UHFFFAOYSA-N 348.244 4.403 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN(CC)Cc1cccc(F)c1 19540908 YMFGNFVBKZSUKB-UHFFFAOYSA-N 342.458 4.411 0 40 EIAB CC[C@H](CN1CCCC1)n1cncc1-c1cnn(C2CCCCC2)c1 19654569 KUXRKQHFQUHXAI-GOSISDBHSA-N 341.503 4.299 0 40 EIAB C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)[C@@H](O)c1ccccc1 20312654 RRGVCYTYQVAYDT-VBKZILBWSA-N 325.383 4.297 0 40 EIAB COc1ccccc1[C@H](C)N(C)C(=O)c1nc(Cl)ccc1Cl 25110533 XCMKXQVDJOCHHJ-JTQLQIEISA-N 339.222 4.230 0 40 EIAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccncc3)o2)cc1C 27408135 TUOWKJLRDMKPND-INIZCTEOSA-N 349.434 4.163 0 40 EIAB O=C(CCc1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1 29771008 STTGPHQYEGTRPP-UHFFFAOYSA-N 342.826 4.038 0 40 EIAB Nn1cc(-c2ccccc2)nc1SCc1cc(-c2ccccc2)no1 29850961 VHAIYTLCXBCEEG-UHFFFAOYSA-N 348.431 4.211 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C 31073690 NUCDAUJKXVEABC-IRXDYDNUSA-N 342.483 4.392 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccccc2)on1 31336719 SGUHVMPBJQZKMU-UHFFFAOYSA-N 344.773 4.406 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@H](c2c(F)cccc2F)C1 31820870 IBSFVWYFTFUKJH-LBPRGKRZSA-N 325.318 4.274 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C 32627839 RBTOXVFFIQCNCN-KRWDZBQOSA-N 338.451 4.310 0 40 EIAB CC(=O)c1cccc(NC(=O)CCc2cccc(Br)c2)c1 33000703 QGSFABFUSJTHIU-UHFFFAOYSA-N 346.224 4.223 0 40 EIAB CCc1nc(OCC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2n1 33141690 PDYBACOXKURJSS-UHFFFAOYSA-N 349.434 4.333 0 40 EIAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccncc2)ccc1C(C)C 40141038 VMEPJMSFBRYCRM-JKSUJKDBSA-N 326.440 4.158 0 40 EIAB O=C(NCc1ccc(F)cc1)N(Cc1ccsc1)CC(F)(F)F 44447768 FILKENNINFSDCL-UHFFFAOYSA-N 346.349 4.161 0 40 EIAB CCC[C@H](C)N(C)Cc1nnc(-c2ccc(Br)s2)o1 48230356 LIYPWUKKVRARJW-VIFPVBQESA-N 344.278 4.181 0 40 EIAB COc1cccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n[nH]2)c1 51315583 MVYQJGKHCXAVHL-UHFFFAOYSA-N 335.407 4.461 0 40 EIAB Cc1ccc(-c2nc(C(=O)Nc3cccc(CO)c3)cs2)c(C)c1 51482179 KXDJKPJPRYIROA-UHFFFAOYSA-N 338.432 4.172 0 40 EIAB O=C(/C=C/c1cccc2cccnc12)NCCc1c[nH]c2ccccc12 55355444 ZVTPRNRVOCJJDZ-ZHACJKMWSA-N 341.414 4.088 0 40 EIAB Cc1cc([C@H]2CCCN2C(=O)c2[nH]c3ccccc3c2Cl)no1 56631458 HFXXHLINCHATQZ-CQSZACIVSA-N 329.787 4.095 0 40 EIAB CCc1nnsc1C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 57819024 VJYVPGMNUFIGRQ-ZCFIWIBFSA-N 348.230 4.037 0 40 EIAB CC(C)c1nc(CCNC(=O)c2c(F)cccc2Cl)cs1 58357131 FSIBIVVOEILGHX-UHFFFAOYSA-N 326.824 4.032 0 40 EIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351952 VRGATOQOKUFIIC-UGSOOPFHSA-N 347.842 4.383 0 40 EIAB C[C@@H]1CN(C(=O)Nc2cccc3cccnc23)C[C@@H](c2ccccc2)O1 67559212 AFFJXOHYKJOMIE-BEFAXECRSA-N 347.418 4.229 0 40 EIAB c1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348936 GPXNHZFXLJMJJB-HXUWFJFHSA-N 343.474 4.447 0 40 EIAB Cc1cc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)no1 74251740 CKZKVVPKXUNZPF-HNNXBMFYSA-N 335.407 4.337 0 40 EIAB O=C1CCCN1Cc1ccc(CNCC2CCCCCCC2)cc1 75093169 ZTRPXLLAJDHFLV-UHFFFAOYSA-N 328.500 4.259 0 40 EIAB CO[C@H]1CCCC[C@H]1OC(=O)c1sc(Cc2ccccc2)nc1C 84064417 BPOZIUSPGKIUOM-JKSUJKDBSA-N 345.464 4.157 0 40 EIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@H]1c1cccc(F)c1F 89768137 CSXSIZVRBJYVDK-KBMXLJTQSA-N 349.421 4.066 0 40 EIAB C[C@H](NCc1ccccc1OC1CCC1)c1ccc2c(c1)OCO2 90027982 WRRSPAGWCVJDFO-AWEZNQCLSA-N 325.408 4.197 0 40 EIAB CC[C@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc2cc(OC)ccc2c1 90455298 RPHKIPVTOCSYTP-QUCCMNQESA-N 335.451 4.170 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(F)c(F)c2)C1 95412769 PDQSKRVMGPZNTF-LBPRGKRZSA-N 326.387 4.024 0 40 EIAB Cc1nc(C)c(C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)o1 95976886 IGLPLRJDJOVHRN-FQEVSTJZSA-N 346.430 4.274 0 40 EIAB CC1(C)CC(=O)Nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc21 96182999 DKYCJPNBJNCDSN-JKSUJKDBSA-N 334.419 4.049 0 40 EIAB COc1cccc2s/c(=N/C(=O)c3cccc4ccccc34)n(C)c12 97549918 SBSISKBKHPVBOU-QZQOTICOSA-N 348.427 4.143 0 40 EIAB O=C(O)CCC/C=C/C/C=C/C=C/[C@@H](O)C/C=C/CCCCCO 98043895 NUPDGIJXOAHJRW-FPTRXZMVSA-N 336.472 4.160 0 40 EIAB in-vitro COc1ccc2ccccc2c1CN1[C@@H]2CC[C@@H]1c1cnc(C)nc1C2 100189468 OCDHPYUMOFHCFC-IIBYNOLFSA-N 345.446 4.209 0 40 EIAB C[C@H](NC(=O)c1csc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107330844 CXSZPSXQMGFKFU-GMOBBJLQSA-N 328.275 4.065 0 40 EIAB CC[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 113948909 OMSGYUSDYSOHCP-OAHLLOKOSA-N 329.465 4.386 0 40 EIAB Cc1c([C@H](C)NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)oc2ccccc12 151748689 XDNOQLOGPJLYDA-RKTXRCNFSA-N 342.439 4.059 0 40 EIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 169683710 KQYUGGMMKPPZTR-FVCZOJIISA-N 329.399 4.098 0 40 EIAB CCOC(=O)[C@@H](N)[C@@H](O)CCCCCCCCCCCC(C)C 205471878 QCSTXHIBWMQIGZ-ROUUACIJSA-N 329.525 4.185 0 40 EIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Cl)c(C)c1 206759948 BKRMVWUMIVNEDD-XYPWUTKMSA-N 337.916 4.466 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCc2ccccc21 222595171 XZJPCAZGXLABPQ-INIZCTEOSA-N 335.447 4.312 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3)ccc21 225130186 UZJILNJUAHIIJQ-DHZHZOJOSA-N 338.432 4.296 0 40 EIAB CCOc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1 225439588 ZMXSBOANUMYSAP-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)nc1C 225886873 QUJLGHDHTPBDIW-IBGZPJMESA-N 336.476 4.493 0 40 EIAB CCOC(=O)N[C@@H](CC(=O)Nc1c(C)cccc1C)c1ccccc1 408977436 DJBJIMFHFGJJOO-KRWDZBQOSA-N 340.423 4.119 0 40 EIAB CC(C)Cn1c(SCc2ccc(F)cc2)nnc1-c1ccncc1 409097342 MGDPBYYXEXLKLZ-UHFFFAOYSA-N 342.443 4.428 0 40 EIAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1CCCc1ccccc1 409126470 OIDXMAYAJDSPSI-GHRIWEEISA-N 339.416 4.061 0 40 EIAB O=C1S[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 409143824 IJUCLEPFLOKLNX-OAHLLOKOSA-N 331.824 4.147 0 40 EIAB Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)cc(Cl)c1C(=O)O 573817533 WFBMFYUJULCRLC-MRXNPFEDSA-N 346.810 4.319 0 40 EIAB O=C(Nc1nc2cccc(Cl)c2[nH]1)C1(c2ccccc2F)CC1 581841342 DQDZBEYMEOHVKW-UHFFFAOYSA-N 329.762 4.026 0 40 EIAB CC(C)c1ocnc1CN1CCC(COc2ccncc2Cl)CC1 1889102963 RSCZTPGNQLAEAK-UHFFFAOYSA-N 349.862 4.137 0 40 EIAB O=C(Nc1ccc(Oc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1 312967 VLRPIVMVYBGNOL-UHFFFAOYSA-N 336.391 4.176 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(Cl)c1 381710 HVNKKIMSOBBKGH-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB CCN(CC)Cc1ccc(NC(=O)c2cccc(C)c2OC)cc1 557468 UGMYJFRXCCLBDE-UHFFFAOYSA-N 326.440 4.098 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)c(C)c1 570426 QZNGABWEELKRKG-UHFFFAOYSA-N 336.819 4.223 0 40 EIAB O=C(CSc1nc2ccccc2s1)NCCC1=CCCCC1 3247381 KDKTWQGHMUUODX-UHFFFAOYSA-N 332.494 4.395 0 40 EIAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)N1CCc2ccccc21 3416357 AJOQCCWWYZFMFJ-ZDUSSCGKSA-N 344.842 4.047 0 40 EIAB CCCOc1ccccc1[C@@H]1NC(=O)c2c(sc3c2CCCC3)N1 4150493 MZPKFJTUEIYLHP-QGZVFWFLSA-N 342.464 4.270 0 40 EIAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)ns2)cc1 4167315 PTFWLVUDGLOMSR-UHFFFAOYSA-N 342.445 4.189 0 40 EIAB Cn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 4790915 GKMJQDAZEKXJSU-UHFFFAOYSA-N 335.885 4.413 0 40 EIAB CCc1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 5347265 JZHSGXPSPJCLNJ-UHFFFAOYSA-N 348.240 4.337 0 40 EIAB COc1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]c2cc1OC 5427021 QUKIYNVSDACWCY-UHFFFAOYSA-N 348.761 4.230 0 40 EIAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 5460463 VYOXGTOAJDFXGF-INIZCTEOSA-N 333.435 4.446 0 40 EIAB Cc1ccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)cc1 5545977 ZUBGYKOQHGXFCQ-UHFFFAOYSA-N 349.478 4.098 0 40 EIAB Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 6191239 SVOHLGWQXSNIGO-UHFFFAOYSA-N 326.812 4.358 0 40 EIAB O=C(/C=C/c1ccco1)N1CCc2nc(-c3ccccc3)sc2C1 6758622 FIZMOHUJDBKBDK-CMDGGOBGSA-N 336.416 4.001 0 40 EIAB CCn1c(SCc2nc(-c3cccs3)no2)nc2ccccc21 7153838 BNZAQGFLFQJDEG-UHFFFAOYSA-N 342.449 4.460 0 40 EIAB CCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)nnc1C1CC1 7618375 SZMSJBCOEPOFLG-ZDUSSCGKSA-N 329.469 4.156 0 40 EIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccccc1Cl 7757140 HLLIGZCFIMKZEL-UHFFFAOYSA-N 332.806 4.082 0 40 EIAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)c1 7757706 LDFGXMGUHOJFKL-LBPRGKRZSA-N 344.436 4.122 0 40 EIAB Cc1ccc(C)c(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1 7788355 QRFHTGRPAWDYJL-UHFFFAOYSA-N 326.415 4.046 0 40 EIAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)Cc1ccccc1 8471217 CUZBAPZIYQXSNI-AJVCAZFQSA-N 341.410 4.064 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(C)C 8478957 RUIHIISVGUMADM-UHFFFAOYSA-N 339.844 4.273 0 40 EIAB Cc1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1N1CCCC1 10895182 PBYJQTDAQVKTCH-UHFFFAOYSA-N 348.450 4.043 0 40 EIAB CCOc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 11467183 BWXAZZJRKDAEGN-UHFFFAOYSA-N 336.391 4.312 0 40 EIAB COc1ccc(C(=O)CCC(=O)Nc2c[nH]c3ccccc23)cc1C 12192766 NMLMLCSHKSDRKN-UHFFFAOYSA-N 336.391 4.087 0 40 EIAB COCc1cc(C)nc2sc(-c3ccon3)c(-n3cccc3)c12 12445392 BZNVCCOYKJRIPS-UHFFFAOYSA-N 325.393 4.197 0 40 EIAB COc1ccc(Cl)cc1NCc1cc2ccc(C)cc2[nH]c1=O 12492412 KADJCSVTGCVQKW-UHFFFAOYSA-N 328.799 4.111 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 12857579 FSSOGPQYOMPDAR-OAHLLOKOSA-N 343.448 4.431 0 40 EIAB CCOCCOc1ccccc1CNc1ccc(OC)c(Cl)c1 19738102 QRRBLXPBVOFRET-UHFFFAOYSA-N 335.831 4.376 0 40 EIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20041386 KTOGBKZRYSOTDM-OXJNMPFZSA-N 341.451 4.347 0 40 EIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1C 20137418 WXUAUVLLAOEXOL-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CC(C)CCC(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1 22463166 MXYUAFHWORLBJU-UHFFFAOYSA-N 336.395 4.173 0 40 EIAB COCc1c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)oc2ccccc12 24040128 LUGFLBPLBMHSJE-NSHDSACASA-N 345.345 4.348 0 40 EIAB O=C(Nc1ccccn1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 24444848 WWKQXWIUXUDMNW-LJQANCHMSA-N 342.402 4.028 0 40 EIAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1OC 24452541 NTHUFTYPDBSHDB-LBPRGKRZSA-N 333.815 4.190 0 40 EIAB COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 25692640 NPEUOOJCDCSIKQ-GJZGRUSLSA-N 337.423 4.465 0 40 EIAB C[C@@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccccn1 26184225 VUBBMOLOCAQSIO-ABAIWWIYSA-N 347.871 4.332 0 40 EIAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccco2)[nH]n1 32451231 MXSBCJAKLCXBDQ-UHFFFAOYSA-N 343.386 4.189 0 40 EIAB O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1 32901082 JLQMUUXHHYTOEV-UHFFFAOYSA-N 333.416 4.416 0 40 EIAB O=C(c1csc(Nc2ccccc2)n1)N1CCc2ccccc2C1 35596738 GJEBOKBUIQJVLV-UHFFFAOYSA-N 335.432 4.085 0 40 EIAB CCOCCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 36613468 QVMBRVJZOJBRAD-UHFFFAOYSA-N 325.334 4.059 0 40 EIAB CCCN1C(=O)S/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 36636197 HPQNWUYRXPYSMA-FLIBITNWSA-N 330.331 4.064 0 40 EIAB COc1ccc(Oc2ccc(CNCc3cccc(F)c3)cn2)cc1 40120021 MOMONFMCVHJSCQ-UHFFFAOYSA-N 338.382 4.311 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1F 40478287 MIZQCNKWUJKIBF-UHFFFAOYSA-N 345.761 4.130 0 40 EIAB CC(C)Oc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cn1 49763991 QIWXZOOKQFHPRZ-GOSISDBHSA-N 339.439 4.021 0 40 EIAB Cc1noc(C)c1CS[C@H](C(=O)N1CCCCC1)c1ccccc1 61141285 UVGHXLAMGTYCCD-SFHVURJKSA-N 344.480 4.278 0 40 EIAB CCCn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67258678 BAVZZWOKNQMKMX-UHFFFAOYSA-N 346.402 4.377 0 40 EIAB Cc1cc(-c2sc(NC(=O)C3CC3)nc2-c2cccs2)on1 72342649 RXRKDKNLYBKWJI-UHFFFAOYSA-N 331.422 4.184 0 40 EIAB Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)c1C 75104715 ITTVLDVWFNNCJM-FQEVSTJZSA-N 340.467 4.354 0 40 EIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C 78912562 KMGDCBDJKGAFHV-GOEBONIOSA-N 325.412 4.222 0 40 EIAB CC(C)[C@@H](Sc1ncc2ccccn12)C(=O)NC1CCCCCC1 84409094 MFJAFLBAQCPHJF-QGZVFWFLSA-N 345.512 4.290 0 40 EIAB Cc1ccc(F)c(CN[C@@H](c2ccc(Cl)cc2)c2ncon2)c1 90202589 WHSPVJGFWQERPK-INIZCTEOSA-N 331.778 4.050 0 40 EIAB O=C(Nc1cccc(NCc2cccc3cn[nH]c23)c1)c1ccoc1 95428900 WVZRCOCVSJRTMU-UHFFFAOYSA-N 332.363 4.020 0 40 EIAB CO[C@](C)(CNC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 96392362 CHBMSPFSAXNTSN-TZZQJPOUSA-N 329.827 4.031 0 40 EIAB C[C@@H](NC(=O)NCc1nccs1)c1cccc(Cl)c1Cl 96410465 VXZDKWYCGSNRRU-MRVPVSSYSA-N 330.240 4.010 0 40 EIAB Cc1ccc(N(C(=O)CCc2nnc(C3CCCC3)o2)C(C)C)cc1 96472334 ZFHBKRDQZSTPDE-UHFFFAOYSA-N 341.455 4.410 0 40 EIAB C[C@@H](NC(=O)N1CCC(n2ccnc2)CC1)c1cccc2ccccc12 103298914 QPLDKCAEQZWDIZ-MRXNPFEDSA-N 348.450 4.144 0 40 EIAB CC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(F)c1 105885174 DJYUIIQDOQTOCU-MQIPJXDCSA-N 337.460 4.061 0 40 EIAB Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224708792 YPSPVMQCEVHYAQ-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2Cl)c1C 225002335 ZPABHNRUPLFQQM-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB CCOc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225108069 CTRPCJPGQMEEOX-HXUWFJFHSA-N 336.387 4.313 0 40 EIAB CC(C)Sc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 225476395 SIKSWZMZNMAAND-VMPITWQZSA-N 339.873 4.344 0 40 EIAB Cc1cccnc1NC(=S)NCCCc1cccc2ccccc12 225809443 FEXRSWJENNYGBM-UHFFFAOYSA-N 335.476 4.462 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812155 CDXUAWXMEZGQFB-ZDUSSCGKSA-N 337.341 4.270 0 40 EIAB CC(C)Cc1ncc(-c2cnc([C@@H]3CCCN(C(C)C)C3)cn2)s1 257283710 OZMLMZZBVSGZAD-OAHLLOKOSA-N 344.528 4.386 0 40 EIAB Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCOCC2)cc1F 585149308 IKNDHIHBEMIKGG-KRWDZBQOSA-N 333.428 4.093 0 40 EIAB CCc1nc([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3o2)no1 606226797 DXQJNPZUOHRQCK-CQSZACIVSA-N 339.395 4.054 0 40 EIAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2C)c(C)c1 93636 BWXFDZHPOZGUPW-UHFFFAOYSA-N 339.464 4.229 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2cc(Cl)ccc2C)c(Cl)n1 1382134 SDFOZZUBAISBTN-UHFFFAOYSA-N 330.236 4.146 0 40 EIAB Fc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)N3N=NNC3=N2)cc1 1832228 DOVJBAIGNFCOAK-AWEZNQCLSA-N 345.740 4.257 0 40 EIAB O=C(COc1ccccc1F)Nc1cc(Cl)ccc1N1CCCC1 3331010 VFXXXOBLJRBHKL-UHFFFAOYSA-N 348.805 4.097 0 40 EIAB CC(=O)N[C@@H](CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 3354712 NQHMEYHBGWIDGT-IBGZPJMESA-N 338.451 4.324 0 40 EIAB CCCc1ccc(C(=O)[C@H](C)Sc2nnc3ccccn23)cc1 3361790 NCDYKQFBVRWDPG-ZDUSSCGKSA-N 325.437 4.045 0 40 EIAB Oc1c(Cl)cc(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F 4141920 RYPFYYQTHNPAEL-UHFFFAOYSA-N 329.023 4.011 0 40 EIAB Cc1ccccc1COc1coc(CN2CCc3ccccc32)cc1=O 4304496 BEPTWIPDYXSFNH-UHFFFAOYSA-N 347.414 4.090 0 40 EIAB CC(C)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 4723906 KIKCBFHDWZNUOS-UHFFFAOYSA-N 327.862 4.192 0 40 EIAB CN(C)C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255508 YZQOQVCRKALCSV-UHFFFAOYSA-N 349.506 4.047 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1C(F)(F)F 5440479 QFGDEDODKVUSSF-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB Oc1c2c(C(F)(F)F)cc(C(F)(F)F)nc2nn1-c1ccccc1 5731545 QTOJRPNGXLCXCB-UHFFFAOYSA-N 347.218 4.164 0 40 EIAB Cc1ccc2c(CC(=O)OCc3nnc(-c4ccccc4)o3)coc2c1 6082477 LLDCEYGBIQRHDF-UHFFFAOYSA-N 348.358 4.077 0 40 EIAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccco1 6845339 CZIQQCFEOOGTTO-UHFFFAOYSA-N 341.432 4.105 0 40 EIAB O=C(O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1 7881360 GUALWGDGQMMHAS-HNNXBMFYSA-N 347.370 4.070 0 40 EIAB Cc1ccc(C)c(-n2nnnc2SCc2ccc(Cl)cc2)c1 8188672 MQZFNQJIGSNLBB-UHFFFAOYSA-N 330.844 4.225 0 40 EIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)CCC2 8241099 SXZDLIFNLLJCLC-UHFFFAOYSA-N 345.446 4.159 0 40 EIAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 8790818 RLPGMEVKMWCLOO-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C(NC1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9256416 SXTHXYFFCYDOBU-KRWDZBQOSA-N 344.455 4.027 0 40 EIAB Cc1ccnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 9469046 YFJFWKKGDFYCKC-UHFFFAOYSA-N 340.386 4.253 0 40 EIAB Cc1cc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc(C)n1 12016756 FHEMORDBLMEGMT-NSHDSACASA-N 335.860 4.175 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1 12546281 FXHZLKQJIFVGCN-UHFFFAOYSA-N 331.828 4.337 0 40 EIAB CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@@H]1[C@@H]2C 12659427 ABFSDSQOZYJGJO-FKWRQYOWSA-N 347.455 4.320 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)cc1F 12792646 NBRGNHHVXJZUEX-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1 12911000 RBJSWHDOFHBLMF-LBPRGKRZSA-N 326.396 4.440 0 40 EIAB Cc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)c2c(C)noc2n1 12926742 WVFGIHVYLYKMFG-LLVKDONJSA-N 335.363 4.077 0 40 EIAB COc1cccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2Cl)c1 13038949 MHSBORTWVJWEFV-UHFFFAOYSA-N 346.858 4.036 0 40 EIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1c(F)cccc1Cl 13040574 BXHUEUVKWWDBDM-UHFFFAOYSA-N 334.822 4.166 0 40 EIAB CC(C)CNC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 13843317 FLQJCIDPHXKARP-UHFFFAOYSA-N 336.391 4.071 0 40 EIAB CCNc1nc2c(s1)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 15110112 YCYKRVDYJDZYPK-QMMMGPOBSA-N 342.251 4.356 0 40 EIAB CCOc1cc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 16780539 YSSQGEJMRCXIOI-UHFFFAOYSA-N 341.517 4.195 0 40 EIAB COc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1 16846825 FXZPEUSVEJJXCA-UHFFFAOYSA-N 346.390 4.419 0 40 EIAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CC=CC[C@@H]12 17118619 CHFLANURWLKBDG-RJVLYZLMSA-N 344.065 4.230 0 40 EIAB Cc1cccc(CN2CCC[C@H]2c2nnc(-c3scnc3C)o2)c1 19234986 XWXIIFLTASXMGH-HNNXBMFYSA-N 340.452 4.147 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 20459563 OQDNFAWBSSARBS-UHFFFAOYSA-N 341.451 4.094 0 40 EIAB CCc1cccc(C)c1NC(=O)CSCCOc1ccccc1 22701565 IIZVLMAVCOWBNO-UHFFFAOYSA-N 329.465 4.308 0 40 EIAB CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1Cl 24484725 PVSOFFOZZUHZQK-WMLDXEAASA-N 349.858 4.195 0 40 EIAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cccs1 27662526 GJQBEWANIDLFDQ-CQSZACIVSA-N 334.510 4.157 0 40 EIAB COc1ccc2c(CNc3cc(Cl)ccc3OC)cc(=O)oc2c1 29398683 NTCXTBPIHHEPOA-UHFFFAOYSA-N 345.782 4.076 0 40 EIAB C[C@@H]1CC(=O)N(CCOc2cccc3ccccc23)c2ccccc2N1 31903336 YDQBAVNQTMLJLT-MRXNPFEDSA-N 346.430 4.456 0 40 EIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 31915481 HDYCKMOYXVYQMW-CQSZACIVSA-N 344.842 4.346 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NCc1cc(-c2ccccc2)on1 38752422 AIGUOEDASGPSDV-ZHACJKMWSA-N 338.794 4.325 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(C3CC3)s2)ccc1C(C)C 40140349 ACHDYDULHVUUKS-LBPRGKRZSA-N 345.468 4.253 0 40 EIAB COc1cccc(NC(=O)c2csc(-c3ccccc3OC)n2)c1 40425131 GUFHFRCKFPGEBJ-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB CCc1ccccc1C(=O)c1ccc(I)cc1 43210154 ZAOPLTBXCKQXTJ-UHFFFAOYSA-N 336.172 4.085 0 40 EIAB COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1OC 44816097 NMCPXHILOVVYAY-NWDGAFQWSA-N 331.334 4.011 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)CCCc2ccccc2)cc1 48289822 YSNRIIPHTGLTTL-UHFFFAOYSA-N 338.495 4.168 0 40 EIAB Cc1cc(NC(=S)Nc2ccccc2Oc2ccccc2)n(C)n1 54925747 XBNMCGPXOXNJIG-UHFFFAOYSA-N 338.436 4.330 0 40 EIAB C[C@H]1c2ccsc2CCN1C(=O)Nc1nnc(C(C)(C)C)s1 56737185 YFQOOPBRVVBQTN-VIFPVBQESA-N 336.486 4.048 0 40 EIAB C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1ccc(F)cc1 58014355 LGMVSPJKOVBGMJ-ZDUSSCGKSA-N 330.428 4.310 0 40 EIAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 58417629 STAQJLYYZSFGBZ-HOCLYGCPSA-N 336.435 4.399 0 40 EIAB O=C(Cc1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1 59289813 APTTUBHUPFVLNL-UHFFFAOYSA-N 342.595 4.423 0 40 EIAB CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21 64960888 XQWPGUBZQSLEEN-UHFFFAOYSA-N 331.375 4.047 0 40 EIAB O=C(c1ccc2[nH]c(C(F)F)nc2c1)N(Cc1cccs1)C1CC1 68319655 LXVWILGODWHGKJ-UHFFFAOYSA-N 347.390 4.367 0 40 EIAB Cc1cc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)on1 69663116 XSSYJUZQVLNWPE-UHFFFAOYSA-N 338.411 4.027 0 40 EIAB CCCc1cc(N2CCC[C@@H]2c2ccc(C)c(C)c2)n2ncnc2n1 71830249 WNBWMOGNGYFVKK-GOSISDBHSA-N 335.455 4.035 0 40 EIAB COc1cccc(NC2CCN(C(=O)c3cc(C)sc3C)CC2)c1 71915007 KFNDNCUJCPOBFB-UHFFFAOYSA-N 344.480 4.090 0 40 EIAB CSc1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 75145539 HTOQZZOPLHGXQD-QGZVFWFLSA-N 330.453 4.044 0 40 EIAB COc1ccc(-c2nc(C[S@@](=O)CC3CCCCC3)co2)cc1 77478072 OAHYCGWFQBDZRH-HSZRJFAPSA-N 333.453 4.179 0 40 EIAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@H]2CCC[C@@H]21 81548862 YDLSQDWRHIWYKT-DYVFJYSZSA-N 337.423 4.019 0 40 EIAB Cc1nc(NCc2nc(C)c(C)o2)c2c(CC(C)C)csc2n1 84061451 ATXUFSZQIWAKKM-UHFFFAOYSA-N 330.457 4.415 0 40 EIAB COc1cc2c(cc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F)O[C@@H](C)C2 84718063 KNQCITVAWDNUOT-TUKIKUTGSA-N 343.389 4.229 0 40 EIAB O=C(Nc1nc(Cl)ccc1Cl)c1cccc(Br)c1 89774387 CDULLMCRWYWAFB-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB CC(C)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 96318732 XOZYSPVNUWKDFS-UHFFFAOYSA-N 341.430 4.303 0 40 EIAB CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 139076925 AHNAXCIEIGSWTO-INIZCTEOSA-N 337.341 4.352 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)n2cc(CO)c3ccccc32)cc1 216720979 BRTFHHZCPKIBGE-UHFFFAOYSA-N 337.419 4.150 0 40 EIAB CCOC(=O)c1cc(NC(=S)NCc2ccccc2)ccc1Cl 225279928 XSEWSOZUYHERAZ-UHFFFAOYSA-N 348.855 4.003 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)CC1 257269474 MQCYYIJZMZJAPU-INIZCTEOSA-N 349.434 4.016 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 42802 LDXWVWBTIBPGSJ-GXTWGEPZSA-N 341.238 4.175 0 40 EIAB CN(Cc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 207705 BNDUEMWETKTLIS-UHFFFAOYSA-N 328.887 4.436 0 40 EIAB Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccco1 238090 JZIXBNDCVQQXDY-UHFFFAOYSA-N 338.338 4.232 0 40 EIAB c1coc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)c1 521814 FDXLGESUDIRCRZ-UHFFFAOYSA-N 332.388 4.349 0 40 EIAB CCCCCCn1cc(C(=O)OCC)c(=O)c2cc(F)c(F)cc21 2280823 PNKLMSMGRPOCOC-UHFFFAOYSA-N 337.366 4.037 0 40 EIAB Cc1ccccc1OCCCCn1c(CCCO)nc2ccccc21 3648957 NWILLBVHFJIANZ-UHFFFAOYSA-N 338.451 4.129 0 40 EIAB Cc1nc(-c2ccccc2)sc1CCNC(=O)c1cccs1 4338427 VCMZRBBQYGWPGT-UHFFFAOYSA-N 328.462 4.153 0 40 EIAB COc1ccc(Nc2c(-c3ccccc3)nc3ncccn23)cc1OC 4733994 DIVGQYBFMKWXAA-UHFFFAOYSA-N 346.390 4.157 0 40 EIAB COc1ccc(C(C)=O)cc1COC(=O)c1c(F)cccc1Cl 5109625 QFYPWNPLSSXKTM-UHFFFAOYSA-N 336.746 4.047 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5118981 NNSLJFSFUSAETP-NSHDSACASA-N 336.794 4.317 0 40 EIAB COc1cccc(/C=C/C(=O)Nc2cccc(Br)c2)c1 5558304 HXSDTCJCXCLSTD-CMDGGOBGSA-N 332.197 4.110 0 40 EIAB FC(F)(F)c1ccc(N/N=C/c2ccccc2Br)nc1 5740917 MGWZZIPRLMKIPJ-FBCYGCLPSA-N 344.134 4.309 0 40 EIAB O=C(NCc1ccccc1F)c1ccccc1C(=O)c1cccs1 8331329 PVIDUIWVAMIXCI-UHFFFAOYSA-N 339.391 4.048 0 40 EIAB Cc1ccc(C2=C[C@@H](c3cc(F)cc(F)c3)n3nc(C)nc3N2)cc1 8570200 HOKNNBMPXVISHL-SFHVURJKSA-N 338.361 4.229 0 40 EIAB COc1ccc(OCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 8704529 ONSVAUQBAZJCST-UHFFFAOYSA-N 339.313 4.122 0 40 EIAB CCC(CC)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 9156743 SEEAGFKSYYMNHV-UHFFFAOYSA-N 345.443 4.049 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)NCCc2ccc(Cl)cc2)cc1 9516563 CKDLYQSFBUOTHA-CQSZACIVSA-N 346.858 4.342 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1Cl 9962250 ZNNFJYHPYUYJMR-RUDMXATFSA-N 332.762 4.089 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10338127 QPOTYGSWSJVFHM-UHFFFAOYSA-N 336.435 4.127 0 40 EIAB Cc1cc(=O)oc2cc(OCC(=O)c3cccc(Cl)c3)ccc12 11692221 DSLBBERPIKQCMD-UHFFFAOYSA-N 328.751 4.017 0 40 EIAB CC(C)[C@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)O 11946104 GFNIVFZTLONKDR-ZDUSSCGKSA-N 329.234 4.235 0 40 EIAB O=C(Nc1ccncc1)c1cn(-c2ccccc2)nc1-c1cccs1 12495820 XGALBLKRCKFSPZ-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)cc1OC 13931400 ZHNITAABEFJPDA-AWEZNQCLSA-N 344.480 4.368 0 40 EIAB C[C@@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccco1 14139119 DXMIFUBVADYGIL-IDVQTMNDSA-N 342.395 4.433 0 40 EIAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCCC3)cccc2c1=O 15080625 RSOWJCXFOLLTTH-UHFFFAOYSA-N 347.414 4.441 0 40 EIAB CSc1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2 15306112 JOLDRXHGGKQNMG-UHFFFAOYSA-N 343.448 4.140 0 40 EIAB COc1ccccc1NC(=O)NCCOc1ccc2ccccc2c1 17743892 CSVNRIPFXQUGPN-UHFFFAOYSA-N 336.391 4.049 0 40 EIAB Cc1nccn1CCCC(=O)Nc1ccc(-c2cccc(F)c2)cc1 19288122 TYJIIUABBWJJDU-UHFFFAOYSA-N 337.398 4.417 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(F)cc1 24752726 OODCJQKRTMAXLD-UHFFFAOYSA-N 334.394 4.468 0 40 EIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCOCc2ccccc2)o1 25840522 BYEDQWSWWKKPTJ-XABOCNADSA-N 339.435 4.139 0 40 EIAB O=C(Nc1ccccc1)c1ccc(CN2CCOc3ccccc32)cc1 30594569 LXMAGCPIFBIUFF-UHFFFAOYSA-N 344.414 4.338 0 40 EIAB CC[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(C)cc1 30863090 PCBFTCAWCFGWDQ-KRWDZBQOSA-N 337.872 4.219 0 40 EIAB C[C@H](NC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1 32931080 LJUXLNGZPKCLJO-JTQLQIEISA-N 325.742 4.432 0 40 EIAB Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccccc2)n1 34028548 BUXGLXHIUZIERX-UHFFFAOYSA-N 327.391 4.381 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38849592 FJJFABNXHKUURR-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(=O)oc1 44441888 BQGFPEFBOXFVPY-UHFFFAOYSA-N 348.383 4.169 0 40 EIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccccc1)C3 55393824 JUJZAJOOKRHRSH-UHFFFAOYSA-N 347.414 4.024 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)no2)c1 60382103 VENFSFNOBSIUBO-SNVBAGLBSA-N 327.306 4.193 0 40 EIAB Cc1cccc(CSCC(=O)NCCSc2ccccc2)c1 61083203 CNSDHQUFFJOFNU-UHFFFAOYSA-N 331.506 4.137 0 40 EIAB C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 64580990 AZRCHAMPPFDUKC-CYBMUJFWSA-N 325.799 4.017 0 40 EIAB CCOC(=O)c1cccc(NC(=S)Nc2cc(C)ccc2F)c1 65701443 YHUGGDKAQNMYHI-UHFFFAOYSA-N 332.400 4.120 0 40 EIAB Cc1occc1C(=O)N(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 69704429 UZZHXIQQSSKORZ-SFHVURJKSA-N 342.345 4.123 0 40 EIAB COc1ccccc1-c1nccn1[C@H](C)c1cnn(-c2ccccc2)c1 71575308 RVECSXDZPBQLNS-MRXNPFEDSA-N 344.418 4.354 0 40 EIAB CC(C)Cn1ccc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)ccc21 89856718 ARVZIOZCCQCIIM-RTBURBONSA-N 333.435 4.435 0 40 EIAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cnn(C(C)(C)C)c1 93276524 GRQVLBXKAWDZKY-NSHDSACASA-N 336.386 4.141 0 40 EIAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)c1ccc(F)cc1F 95451253 NTAPXQYUYNZLIY-GOSISDBHSA-N 347.405 4.187 0 40 EIAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@H](C)Sc1ccccc1 106715410 GNQFJXCUAPMICF-HNNXBMFYSA-N 337.448 4.300 0 40 EIAB CC(C)c1cc(C(=O)N(C(C)C)C2CCOCC2)c2ccccc2n1 193157910 KLZMGWWXSNUXDV-UHFFFAOYSA-N 340.467 4.388 0 40 EIAB Cc1cc(OCC(=O)n2c(C)c(C=O)c3ccccc32)ccc1Cl 216756874 ZZYIUPABSOAJAX-UHFFFAOYSA-N 341.794 4.443 0 40 EIAB CCn1c(Cl)nc2cc(C(=O)NCCCc3ccccc3)ccc21 222542516 ZLXMTSZIDCSORR-UHFFFAOYSA-N 341.842 4.072 0 40 EIAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1C 223386246 RCRPWHUUDBWMTI-UXBLZVDNSA-N 329.827 4.165 0 40 EIAB Cc1ccccc1CSCC(=O)NCCOc1cccc(C)c1C 223899300 MVHLLNKLZZGZCD-UHFFFAOYSA-N 343.492 4.040 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1C 224890924 JSKDCYRECYOUBT-UHFFFAOYSA-N 331.843 4.085 0 40 EIAB COc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(F)(F)F 225806050 DJPSCIOBJGJGPO-UHFFFAOYSA-N 345.361 4.392 0 40 EIAB CCc1cccc(Oc2ccc(NC(=O)c3cncs3)cn2)c1 611996441 XKYIQBNSRGYWJM-UHFFFAOYSA-N 325.393 4.145 0 40 EIAB CCc1cc(Br)ccc1NC(=O)NCC[C@H]1CC1(F)F 621445105 FBVYDDUYSSQSMJ-JTQLQIEISA-N 347.203 4.178 0 40 EIAB CC(C)N(C)Cc1ccc(CN[C@H](C)c2ccncc2Cl)cc1 1615538025 PFVNEWGZVYHQEG-OAHLLOKOSA-N 331.891 4.426 0 40 EIAB Cc1cccc(-c2noc([C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)n2)c1F 1615553266 WDKKOTQAZVNGDG-WISYIIOYSA-N 342.292 4.007 0 40 EIAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccccc2Cl)c1 1889141275 KPHRRIHLRSOFIH-YIONKMFJSA-N 344.846 4.245 0 40 EIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(F)cc1 97672 BLBMITADJVKXJW-UHFFFAOYSA-N 340.354 4.303 0 40 EIAB CC(C)(C)c1cc(OC(=O)c2ccc(Br)o2)ccc1O 364471 ACEJLQCTYCBBDL-UHFFFAOYSA-N 339.185 4.264 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(C)cc3s2)cc1 365116 LFDKICHIOKEEFW-CYBMUJFWSA-N 326.421 4.319 0 40 EIAB CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 413194 FMAXCCSJAJAFHD-VIFPVBQESA-N 344.509 4.453 0 40 EIAB CN(C)c1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 422219 SFNWTKGXOBNHNW-UHFFFAOYSA-N 344.212 4.232 0 40 EIAB O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc(F)c(Cl)c1 423741 CSWNOJBBOGZOBI-OAHLLOKOSA-N 325.767 4.397 0 40 EIAB O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)cc1 541472 WNYFDAKJVQBAND-UHFFFAOYSA-N 329.812 4.086 0 40 EIAB COC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 555877 IPUKCWDWHPUUOL-UHFFFAOYSA-N 329.783 4.160 0 40 EIAB c1ccc(-c2nnc(CSc3nnc(C4CCCCC4)o3)o2)cc1 1223413 QSSYUTPOKICAOY-UHFFFAOYSA-N 342.424 4.460 0 40 EIAB CN1CCN(c2ccc3nc(-c4cccc5ccccc45)[nH]c3c2)CC1 1390248 PIYGOKKHMVMDNS-UHFFFAOYSA-N 342.446 4.135 0 40 EIAB CC(C)COC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887767 HGGPSNUYMCSXLD-JBACZVJFSA-N 336.431 4.342 0 40 EIAB COc1ccc(N(CC(=O)c2ccccc2)C2=NCCCCC2)cc1 7275551 BRWVINNARQOCEU-UHFFFAOYSA-N 336.435 4.357 0 40 EIAB CC[C@H](NC(=O)CSc1ccc(OC)cc1)c1ccc(C)cc1 7312583 XLEVBIFCFAHTNQ-SFHVURJKSA-N 329.465 4.363 0 40 EIAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1 7878214 YKIGMHKBGXSQRH-SNVBAGLBSA-N 338.835 4.098 0 40 EIAB O=C(c1cc(-c2csc(-c3cccs3)n2)c[nH]1)N1CCCC1 8076388 QNWRWPYXUZQYGB-UHFFFAOYSA-N 329.450 4.103 0 40 EIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 8959700 FYBGAVDBEKEBKD-UHFFFAOYSA-N 346.471 4.223 0 40 EIAB CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 9141887 FDXGIFGRRNIPSN-UHFFFAOYSA-N 340.423 4.321 0 40 EIAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(C)c1 9159057 KBPNFZRONFZTFD-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB COc1ccc(CCCC(=O)Nc2ccc(Br)cc2)cc1 10777615 INUNZQRUHSVQHW-UHFFFAOYSA-N 348.240 4.419 0 40 EIAB COc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1OC(F)F 11210312 NDQNPDBPXIGRMB-QGZVFWFLSA-N 347.361 4.178 0 40 EIAB CC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 11922050 QNCOLHYQLJCCON-MRXNPFEDSA-N 333.435 4.127 0 40 EIAB Cc1ccsc1-c1nn2c(-c3cc(F)ccc3F)nnc2s1 12391400 NYPNPYNSAZVFAN-UHFFFAOYSA-N 334.376 4.168 0 40 EIAB Cc1cc(C)cc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 12803428 ZNXOYYRQAJNEPL-UHFFFAOYSA-N 340.448 4.429 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 12939853 MFROBZKPOKCDOE-QGZVFWFLSA-N 325.408 4.114 0 40 EIAB O=C(CNc1ccc(F)cc1Cl)N1CCSc2ccccc21 12974234 RPZUERJGNCUGRD-UHFFFAOYSA-N 336.819 4.030 0 40 EIAB COc1cc(C)c(NC(=O)CCSc2ccccc2F)cc1OC 15192600 QDZXJTQCNBSRMB-UHFFFAOYSA-N 349.427 4.272 0 40 EIAB CCc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 16161726 ZUUVJORSCAWFTQ-UHFFFAOYSA-N 335.407 4.260 0 40 EIAB O=C(/C=C\c1ccccc1)NC(=S)Nc1cccc2ccccc12 17024803 BAFIUGLAUOJTLN-YPKPFQOOSA-N 332.428 4.366 0 40 EIAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)c(Cl)c1 17450200 HZVZYDCSQXFWBY-UHFFFAOYSA-N 334.828 4.229 0 40 EIAB CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 18240928 KMFCGRFHIFHIHO-RTBURBONSA-N 333.387 4.325 0 40 EIAB Cc1cc2nc(-c3cc(N)ccc3O)oc2c(Br)c1C 20156864 RMKAHOMVLPJKKW-UHFFFAOYSA-N 333.185 4.162 0 40 EIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)c(C)cc1C 22258993 LEVOHZUEPIJFSO-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB CC(C)NC(=O)Nc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 24511166 LNOHJKXRVGBBFQ-HNNXBMFYSA-N 339.439 4.349 0 40 EIAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)cc1 25514422 RQXHSQKMEGDPFB-HXUWFJFHSA-N 341.451 4.465 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)c1cc2cc(Cl)ccc2o1 27110811 ONEHLQDHTAIUEC-UHFFFAOYSA-N 339.738 4.389 0 40 EIAB O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc2C1 27269653 KYAQGKFLCJAHJG-QFIPXVFZSA-N 342.442 4.425 0 40 EIAB Cc1ccc(-c2nc(CC(=O)N3CCCc4ccccc43)cs2)o1 31871957 WUEPGCVBIXFTJO-UHFFFAOYSA-N 338.432 4.233 0 40 EIAB Cc1cccc(OCC(=O)Nc2cccnc2Oc2ccccc2)c1 36392203 VEDFUAAJOCPYKN-UHFFFAOYSA-N 334.375 4.200 0 40 EIAB CCSc1nccn2nc(-c3ccc(Br)cc3)cc12 38486445 TXYBSWFKUHHALO-UHFFFAOYSA-N 334.242 4.271 0 40 EIAB Cc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 38848789 KGFDLAXXKWFWEA-SFHVURJKSA-N 336.479 4.157 0 40 EIAB FC(F)n1c(SCc2nnsc2Cl)nc2ccccc21 43875214 DJANYGKLBNRNKJ-UHFFFAOYSA-N 332.788 4.229 0 40 EIAB COc1cccc(-c2nc3cc(OC)cc(Br)c3o2)c1 45920250 MLDCXQUZIJREBI-UHFFFAOYSA-N 334.169 4.275 0 40 EIAB Cc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC2(C)C)cc1 45932720 LUJIBTHSZVWFPH-UHFFFAOYSA-N 336.460 4.312 0 40 EIAB CC(C)(C)c1cc(NC(=O)COC2CCCCC2)n(C(C)(C)C)n1 48342892 AFULWYHDSKEZNA-UHFFFAOYSA-N 335.492 4.223 0 40 EIAB CN(CC1CC1)C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 55521946 MLYXEOIBEJIECG-UHFFFAOYSA-N 347.418 4.249 0 40 EIAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccs1 58342881 VLGQATQWXRPSLI-UHFFFAOYSA-N 326.421 4.108 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccsc1)C1CC1 60137874 TVPLFNIOJTUHDH-LBPRGKRZSA-N 335.856 4.360 0 40 EIAB Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc4ccccc4o3)coc2c1 66516874 BQUUHPWKDIPSIK-OAHLLOKOSA-N 330.343 4.301 0 40 EIAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H](c2ccccc2)CC1 66763383 KUBQQBASUVUSBJ-KRWDZBQOSA-N 347.418 4.147 0 40 EIAB Cc1cccc2c1ccn2CC(=O)Nc1nc(-c2cccnc2)cs1 71286944 HETIOGDGUPZEMX-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCCCCC2)c1 71909599 CRZJYGCVWFKRAL-HSZRJFAPSA-N 336.501 4.142 0 40 EIAB CSCc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1 79594130 STUWRHJYKPFTMK-UHFFFAOYSA-N 337.448 4.202 0 40 EIAB O=C(/C=C/c1ccccc1)N1CCC2(CCc3ccccc3O2)CC1 85557787 VZZJDOQNERJCIQ-ZHACJKMWSA-N 333.431 4.086 0 40 EIAB CC(C)[C@@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccncc1 86398548 BDQOMXVHPGSWAL-KBXCAEBGSA-N 327.428 4.307 0 40 EIAB CCc1nc(C)c([C@H](C)NCc2cccc3c2OCCCO3)s1 90546566 BQTFBMPLCALCDH-LBPRGKRZSA-N 332.469 4.026 0 40 EIAB C[C@H](c1ccccc1F)N(C(=O)Nc1ccc2c(c1)OCO2)C1CC1 95373552 IMDLDGDVFSKFEA-GFCCVEGCSA-N 342.370 4.312 0 40 EIAB COc1ccc(Cl)cc1C(=O)c1c(F)c(F)c(F)c(F)c1F 95916300 LUJGAIPTMBJPGY-UHFFFAOYSA-N 336.643 4.275 0 40 EIAB O=C(NCC1CC1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96266708 RUABATZPSWCGBV-UHFFFAOYSA-N 348.450 4.058 0 40 EIAB Cc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 100951437 FKKRMRRHOYICRY-INIZCTEOSA-N 340.789 4.435 0 40 EIAB COC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1cccs1 104168358 ODCHPKMZSMPCNF-OAHLLOKOSA-N 337.400 4.064 0 40 EIAB CN(CCCNC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 224154575 DUXYXOXZLNVKGS-UHFFFAOYSA-N 336.479 4.141 0 40 EIAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Cl)c1 408530617 PWGJPEZJHCKFFV-UHFFFAOYSA-N 328.730 4.155 0 40 EIAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c(OC)c1 408557145 NCNFZNLFZKWAAK-KRWDZBQOSA-N 349.839 4.136 0 40 EIAB CC(C)COC(=O)N[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1 408996743 ALESORQYZJRJPQ-HNNXBMFYSA-N 340.423 4.063 0 40 EIAB CO[C@H](C=C(C)C)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 514288266 ZKUVESFSLKJZMT-IKFRKZOMSA-N 328.408 4.489 0 40 EIAB biogenic,in-vitro CC[C@@H](NC[C@H](O)c1ccc(F)cc1Cl)c1ccc(F)cc1 1645003940 KIMZDNLAWFQBQZ-SJORKVTESA-N 325.786 4.393 0 40 EIAB CC(=O)c1nn(-c2ccc(C)cc2)c(N)c1-c1nc2ccccc2s1 38066 ULXBFWXUCMAZBH-UHFFFAOYSA-N 348.431 4.242 0 40 EIAB CC(C)(C)Nc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 85462 YUKCNBYSEWJIHH-UHFFFAOYSA-N 342.468 4.301 0 40 EIAB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)c(OC)c1 147537 UQKIVVJMODZYMI-WEVVVXLNSA-N 332.783 4.284 0 40 EIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 150376 ODMVAPIBXHTMHW-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 422932 BHFJNWYLWMOLTH-YJBOKZPZSA-N 328.799 4.418 0 40 EIAB Clc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1 425608 IBARBLHZWFCNDR-UHFFFAOYSA-N 349.825 4.124 0 40 EIAB Cc1c([C@@H](C)OC(=O)Nc2ccc(Cl)cc2)sc2ncnn12 1401959 PEPOPLKSOUMEHJ-SECBINFHSA-N 336.804 4.062 0 40 EIAB CCCCCN(CCCCC)C[C@@H](O)CN1CCCc2ccccc21 2042661 YXDUJVBHEGKZSK-OAQYLSRUSA-N 346.559 4.483 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1cc(C)ccc1C)C3 2125245 YCDVRSUMTIOVKN-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)NC1=O 2169641 UDWOEWQITJSMED-LFIBNONCSA-N 327.405 4.343 0 40 EIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1 2655315 UQBKRZVBFJWHGZ-YJYMSZOUSA-N 342.439 4.179 0 40 EIAB CN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3217341 IKQBRIKMSBIALN-UHFFFAOYSA-N 345.398 4.173 0 40 EIAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(C(F)(F)F)cc1 3403640 VGMVBNXADIYTBR-LBPRGKRZSA-N 334.341 4.095 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 3552889 RANZEVSBFSFYNK-NSHDSACASA-N 338.234 4.422 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)c1 4179212 KTIYWLNOCNYWMN-VZJWBNGJSA-N 347.414 4.323 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 4305024 DYQJVZIMUYVBNI-HXUWFJFHSA-N 346.430 4.122 0 40 EIAB CCOc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 4618292 XRMMSJLYCDGSBX-UHFFFAOYSA-N 327.405 4.039 0 40 EIAB C[C@H](CNC(=O)CSc1nc2ccccc2s1)c1ccccc1 6061261 KKQFKOSROORICK-CYBMUJFWSA-N 342.489 4.308 0 40 EIAB Cc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccncc3)=NN2)cc1 6245053 OZHSKJPJAHTACR-UHFFFAOYSA-N 346.821 4.477 0 40 EIAB Cc1ccc2nc(CSCc3ccc(F)cc3Cl)cc(=O)n2c1 6510472 UHXXWKQWPHCOKT-UHFFFAOYSA-N 348.830 4.229 0 40 EIAB CCc1nc2ccccc2n1CCOc1ccc(Br)cc1 6566904 NBMHDQVGXKNPAG-UHFFFAOYSA-N 345.240 4.440 0 40 EIAB CCOc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 6831524 ZJXGBVWHZHPEFH-UHFFFAOYSA-N 328.393 4.364 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1 7403275 BUMFEYKWWMMHBE-UHFFFAOYSA-N 325.433 4.282 0 40 EIAB O=C(COc1ccccc1)NCC(c1ccccc1)c1ccccc1 7798701 TXXFTEDVVBCCNX-UHFFFAOYSA-N 331.415 4.014 0 40 EIAB COc1cccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1 7843695 NUUZEHCOIPRMHU-UHFFFAOYSA-N 339.420 4.456 0 40 EIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 8494307 ZLXCPFLVRREGHI-LLVKDONJSA-N 339.313 4.120 0 40 EIAB O=C(Cn1cnc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 9295425 APRUFIVJQDIQGL-UHFFFAOYSA-N 343.386 4.467 0 40 EIAB Cc1cc(NC(=O)CSc2ccccc2)n(-c2ccc(F)cc2)n1 9653964 MYHDOQFYVRVBLA-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB CSc1ccc(Cl)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 10815284 YCPGEISCENZEGW-UHFFFAOYSA-N 340.920 4.101 0 40 EIAB CCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(C)C 11565841 VQGCBOQDEPYCHV-UHFFFAOYSA-N 339.501 4.164 0 40 EIAB O=C(Cc1cccc2ccccc12)NCc1cc(-c2cccs2)on1 12235880 IKOAFQKJEQHNHF-UHFFFAOYSA-N 348.427 4.415 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCSc2ccccc21 12567513 DYMDAQIOUQTSMG-UHFFFAOYSA-N 337.366 4.387 0 40 EIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(F)c(Cl)c3)ccc2o1 12740866 SMGYZVMWLIVZAG-VIFPVBQESA-N 347.777 4.368 0 40 EIAB CC(=O)c1ccc(OCCCC(=O)Nc2cnc3ccccc3c2)cc1 12774176 ZDVWZDGKMDCXBL-UHFFFAOYSA-N 348.402 4.235 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)[C@H](C)c1ccccc1 12809733 OOPCQOIFJUDXAX-CQSZACIVSA-N 337.448 4.347 0 40 EIAB CC(C)n1ncc2cc(NC(=O)CCSc3ccccc3)cnc21 13016612 ATWHNCSIMHKNJO-UHFFFAOYSA-N 340.452 4.133 0 40 EIAB O=C(Nc1ccc(F)cc1F)N1CCC(OCc2ccccc2)CC1 14016910 LZRUZDFDDUTECU-UHFFFAOYSA-N 346.377 4.178 0 40 EIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 14256065 HNGQJXZCOWBDQH-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB O=C(Nc1nccs1)c1ccccc1OCc1ccc(F)cc1 16641247 WLUSPDKBRQKQTR-UHFFFAOYSA-N 328.368 4.114 0 40 EIAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1C 19736716 JLTPMIAKJUHDCJ-DZGCQCFKSA-N 326.440 4.497 0 40 EIAB Cc1ccccc1CN(C)C(=O)c1c(C)nn(Cc2ccccc2)c1C 20917678 BKQVPPYLYZVNFF-UHFFFAOYSA-N 347.462 4.129 0 40 EIAB CN(C)Cc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 24644308 JOAFHQOGMZYZSR-UHFFFAOYSA-N 347.462 4.361 0 40 EIAB C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(F)c1 25482505 JISAHGWAECFYJV-JTQLQIEISA-N 342.292 4.163 0 40 EIAB CCOCc1ccccc1CNC(=O)N[C@H](C)c1ccc(Cl)cc1 27373724 ANBVSWNXHOSQMU-CQSZACIVSA-N 346.858 4.437 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCSCc2ccccc2C)c1 30756104 NJRJFPPLJADIMV-UHFFFAOYSA-N 327.493 4.204 0 40 EIAB O=C(CCSCCOc1ccccc1Cl)Nc1ccccc1 32778669 DSWLXGJMTSDVAX-UHFFFAOYSA-N 335.856 4.481 0 40 EIAB C[C@H](NC(=O)[C@H](C)N1CCc2sccc2[C@H]1C)c1ccc(F)cc1 35269008 CGICDSNEXCUKLZ-MJBXVCDLSA-N 346.471 4.072 0 40 EIAB CSc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38852583 LNINPLWLBHYOPT-UHFFFAOYSA-N 337.448 4.214 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 40082828 ZFGHHXSWLYQVMA-UHFFFAOYSA-N 339.782 4.185 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)O[C@@H](c1ccccc1)c1ccccn1 42622228 DCHVQKBBTFDTNF-QFIPXVFZSA-N 342.398 4.438 0 40 EIAB CCOC(=O)c1cccc(C(=O)CCc2cc(F)c(F)c(F)c2)c1 43212478 HMOVKYZXKONECE-UHFFFAOYSA-N 336.309 4.096 0 40 EIAB Clc1nc2cc(Br)cc(Br)c2s1 44712733 XOLXSDGSOGYDRJ-UHFFFAOYSA-N 327.428 4.475 0 40 EIAB in-vitro O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1ccsc1 44916368 QKUWSMNFBNTJEY-CYBMUJFWSA-N 338.388 4.361 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 44945755 KVKIFJAONJXVDG-LSDHHAIUSA-N 329.465 4.362 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c(C)c1 55806401 OTEDTGFRYDJNPB-UHFFFAOYSA-N 335.407 4.140 0 40 EIAB CCc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413674 OHXKUWCNHRMHGQ-UHFFFAOYSA-N 339.826 4.223 0 40 EIAB O=C(NCc1ccc(CN2CCCCCC2)cc1)c1cccs1 58417590 SQFWPUGWZYXKHX-UHFFFAOYSA-N 328.481 4.054 0 40 EIAB Cc1sc2nc(-c3ccccc3)nc(NCc3cnn(C)c3)c2c1C 64931145 YWSHWYBUERDQAU-UHFFFAOYSA-N 349.463 4.321 0 40 EIAB O=C(Nc1ccccc1OC(F)F)N1CCC[C@H](C(F)(F)F)C1 65576016 PZDCFJSHXVIGPX-VIFPVBQESA-N 338.276 4.094 0 40 EIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O 68933347 JWJSLKXPQPFMPC-OAHLLOKOSA-N 348.446 4.014 0 40 EIAB O=C(NCc1ccccc1-c1ccc(Cl)cc1)C1CCOCC1 69417452 YLFIJHPNCPVFMF-UHFFFAOYSA-N 329.827 4.050 0 40 EIAB CC[C@H]1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 69570823 CKFTTWYXDCPDHA-ACBHZAAOSA-N 348.531 4.033 0 40 EIAB O=C(C[C@@H]1C=CCC1)N[C@@H](c1ccncc1)c1cc2ccccc2o1 69898098 QUURXKZVUMHTCK-VFNWGFHPSA-N 332.403 4.390 0 40 EIAB Cc1csc(C2(NC(=O)CCC(=O)c3cccs3)CCCC2)n1 69979747 KQBFNIIKUBJVPK-UHFFFAOYSA-N 348.493 4.062 0 40 EIAB Fc1ccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 72358609 OTQZMHFPPGTBLJ-KRWDZBQOSA-N 348.425 4.057 0 40 EIAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@H](C)c1ccsc1 72950277 QZBLTHDJVJHCGI-LBPRGKRZSA-N 342.424 4.032 0 40 EIAB COC[C@H]1CCCN(C(=O)Nc2ccccc2-c2cccs2)C1 79101323 SXJBVOVEWMIWAN-AWEZNQCLSA-N 330.453 4.305 0 40 EIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1cccc(F)c1 79492984 WPONTXNRYHSTFO-UHFFFAOYSA-N 349.321 4.215 0 40 EIAB Fc1cc(Cl)cnc1Oc1ccc(I)cc1 94051994 QUSBXDSCQUBMRR-UHFFFAOYSA-N 349.530 4.271 0 40 EIAB CC(=O)c1csc(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)c1 95427175 RVQUKJIICZNRKR-UHFFFAOYSA-N 341.392 4.027 0 40 EIAB COC(=O)c1ccc(CNC2(c3ccc(F)cc3F)CCCCC2)o1 95454720 ZNVYUWPDALVERV-UHFFFAOYSA-N 349.377 4.294 0 40 EIAB CSc1cc(CNC(=O)c2cc(Cl)sc2Cl)ccn1 95458968 JWWZNDDQLDVVCO-UHFFFAOYSA-N 333.265 4.102 0 40 EIAB c1csc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)c1 96057046 MLZRAKKTHLMVRT-VQTJNVASSA-N 349.540 4.326 0 40 EIAB COCc1ccc(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)o1 97494370 DDZVNOFMNMFSMI-HNNXBMFYSA-N 342.439 4.053 0 40 EIAB Cc1ccc(-c2nc3c(N)n4nc(-c5ccccc5)cc4nc3o2)cc1 98086556 ABOSSIMVJTUYNK-UHFFFAOYSA-N 341.374 4.095 0 40 EIAB C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1C[C@H]2CC[C@H]1C2 102606358 GCLRGSOQPXHGPU-OXJKWZBOSA-N 345.826 4.001 0 40 EIAB CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 104034677 GTADAILQZYOTIC-GAMLAWPCSA-N 332.447 4.343 0 40 EIAB Cc1nc(C)c2c(C)c(C(=O)NCC[C@@H]3C[C@H]4CC[C@H]3C4)sc2n1 107336391 QGBUABGUAIAJDQ-SOUVJXGZSA-N 343.496 4.173 0 40 EIAB c1csc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)c1 107752062 MLZRAKKTHLMVRT-PMACEKPBSA-N 349.540 4.326 0 40 EIAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1ccc(Cl)cc1 147752593 NVNIPSVSSAVERX-NSHDSACASA-N 328.679 4.232 0 40 EIAB CCOc1cc(C=O)ccc1OCCCCN1[C@@H](C)CCC[C@H]1C 217798954 LDHAEMDAXYRTIE-CALCHBBNSA-N 333.472 4.320 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)s3)N21 222651998 YAQCRXBVTJKPFZ-UHOFOFEASA-N 329.494 4.431 0 40 EIAB CCOc1ccc(CCCNC(=O)CCc2ccc(C)c(C)c2)cc1 223085595 SHRUDXKKDKMKPC-UHFFFAOYSA-N 339.479 4.384 0 40 EIAB Fc1ccc(C2(CNC(=S)Nc3ccccn3)CCCCC2)cc1 224004878 JOJMQULCHWXZQN-UHFFFAOYSA-N 343.471 4.409 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 224634293 QINGWVIOCBDTOZ-CVEARBPZSA-N 349.430 4.493 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(N2CCCCC2)cc1 224745766 OCGNHDZPEITDJM-INIZCTEOSA-N 338.451 4.177 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 225639431 YMFDGSHRIBGYRT-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB Fc1cccc(F)c1NC(=S)NC1(c2cccnc2)CCCC1 225860247 OKZSRCAPNJPWTR-UHFFFAOYSA-N 333.407 4.116 0 40 EIAB CCCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225900750 PZJUPKKNCQIMMD-LIRRHRJNSA-N 334.460 4.103 0 40 EIAB CC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408679211 VKBSTVFWVVZRDS-HNNXBMFYSA-N 334.419 4.012 0 40 EIAB CCn1c(SC(=O)c2ccc(OC)cc2OC)nc2ccccc21 408692894 XUNGXTHIPOLIBM-UHFFFAOYSA-N 342.420 4.006 0 40 EIAB CCOC(=O)C1=CNc2c(-c3ccccc3)cnn2[C@@H]1c1ccccc1 409024982 JKFVTHRYDMVTAW-LJQANCHMSA-N 345.402 4.012 0 40 EIAB CCN1C(=O)/C(=C\c2cc(Cl)c(OC)cc2OC)c2ccccc21 409122038 WUUPFFOPAFUFJO-ZROIWOOFSA-N 343.810 4.264 0 40 EIAB Cc1cc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)nc(C2CCC2)n1 1559136691 AJFHPOQGATUMJE-CJNGLKHVSA-N 329.469 4.080 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1C)NCC2 34545 XCIQZOZFZZVHLG-OAQYLSRUSA-N 325.452 4.336 0 40 EIAB CCOC(=O)c1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccccc2)cc1 205692 BHAVOXLQOYWZIO-UGSOOPFHSA-N 341.432 4.030 0 40 EIAB CC(=O)N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 230565 HJMQYQQCCHDZEF-ZDUSSCGKSA-N 331.630 4.084 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c(C)c1 364851 HVXIQOLGYJSEDE-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB COc1cc2cc(Br)cc(Br)c2nc1C 1384474 FCFSZNPPKZCVRS-UHFFFAOYSA-N 331.007 4.077 0 40 EIAB CCCCc1ccc(NC(=O)COC(=O)c2cccc(C)c2C)cc1 3275052 TWALTZQJGFHTSS-UHFFFAOYSA-N 339.435 4.442 0 40 EIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 3279395 FTRKAGJVCXVVRQ-AWEZNQCLSA-N 349.789 4.155 0 40 EIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1C 3497229 ZMRPXRYXYUYIFB-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(C)s1 4174594 MXGCDYOMGMEECE-NSHDSACASA-N 327.862 4.009 0 40 EIAB CCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4225263 UGAKFONVINDLDV-INIZCTEOSA-N 333.435 4.194 0 40 EIAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3F)cs2)cc1 4570751 ZASGHVHPOLZPNZ-UHFFFAOYSA-N 340.423 4.230 0 40 EIAB NC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 5734489 DOVIBCPHDNLZGU-JRIJMYPQSA-N 331.419 4.362 0 40 EIAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2Cl)N3)C1 6594378 FIAQLVNIDDNTTK-HNNXBMFYSA-N 347.871 4.208 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 6659583 FKQFJKOMDFUBEH-KRWDZBQOSA-N 333.416 4.144 0 40 EIAB COc1ccc(OC)c(NC(=O)Cc2coc3c(C)c(C)ccc23)c1 6809901 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Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 12116848 BHTVOBICAPAGIK-OAHLLOKOSA-N 345.446 4.365 0 40 EIAB CCC(=O)c1cc(F)ccc1OCC(=O)Nc1c(C)cccc1CC 14108757 RNTXQVURRYFCFE-UHFFFAOYSA-N 343.398 4.307 0 40 EIAB Cc1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)n1 14683639 NCFQGOOWIDHXGF-UHFFFAOYSA-N 328.441 4.018 0 40 EIAB Cc1nc(Nc2ccccc2)[nH]c(=O)c1Cc1ccc(Cl)cc1 16843629 XXGWHENPFLHXQS-UHFFFAOYSA-N 325.799 4.066 0 40 EIAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(C(F)(F)F)c1 18016047 RMYMEBNJZPUJJD-JTQLQIEISA-N 333.313 4.073 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20455051 ZJTIPFXNWCGGGP-LJQANCHMSA-N 327.424 4.221 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)C1CCOCC1 24877945 SZCZNSLHWMGUDM-FQEVSTJZSA-N 335.403 4.065 0 40 EIAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(s1)CCCC2 25109933 LVXGFLGRWXWANR-CYBMUJFWSA-N 329.465 4.469 0 40 EIAB Cc1cc(C)c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(C)c1 26226738 YVZDDPPGHPCQQP-IBGZPJMESA-N 339.435 4.422 0 40 EIAB CC1(C)CN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CCO1 27637818 OTIDZULAHNCQNH-GQCTYLIASA-N 347.764 4.009 0 40 EIAB O=C(NCc1ccnc(OC2CCCC2)c1)c1c(F)cccc1Cl 32923110 NFHUIQCFDUIJGQ-UHFFFAOYSA-N 348.805 4.126 0 40 EIAB Clc1ccc(Cl)c(-c2nnc3sc(-c4ccco4)nn23)c1 36360626 QHFNDYYDZUKYGZ-UHFFFAOYSA-N 337.191 4.420 0 40 EIAB Fc1ccc(F)c(CN2CCC(Cn3cnc4ccccc43)CC2)c1 36708899 JDSYHLUYBKFFSM-UHFFFAOYSA-N 341.405 4.227 0 40 EIAB CSc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 38752964 XITINQZEDWVGRY-SFHVURJKSA-N 349.521 4.474 0 40 EIAB Cc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1 40095361 WMOUXDSNZDDQFP-UHFFFAOYSA-N 338.451 4.173 0 40 EIAB Cc1c(C(=O)N[C@H](c2cccs2)C(C)C)oc2c1C(=O)CCC2 40131598 SKPHZLQYZCDURE-INIZCTEOSA-N 331.437 4.296 0 40 EIAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]1c1ccncc1 45120537 PYTCCWAXGYLIQH-YJBOKZPZSA-N 339.439 4.006 0 40 EIAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)OC)cc1 48007486 OUAQFGMZLOHMAR-OAHLLOKOSA-N 344.436 4.076 0 40 EIAB C[C@@H](CCc1ccco1)NC(=O)c1cccc2c3c([nH]c12)CCCC3 58357657 GDLVQUKWBZGGJW-AWEZNQCLSA-N 336.435 4.391 0 40 EIAB CC(=O)Nc1ccc(S[C@H]2CCCc3ccccc3C2=O)cc1 67428586 CBXFWAYIPOJDOK-SFHVURJKSA-N 325.433 4.325 0 40 EIAB O=C(NCCCc1nc2c(s1)CCCC2)c1cccc(Cl)c1 69324183 KBEARBKQUXLXBE-UHFFFAOYSA-N 334.872 4.038 0 40 EIAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2F)cc1F 71760514 NJJOJJCEPNODFA-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB CC(C)c1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc2n1 71796549 QYMSAJZUZDPENJ-INIZCTEOSA-N 348.450 4.032 0 40 EIAB CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214849 MNBIYXQAFKTPJI-MRXNPFEDSA-N 333.476 4.388 0 40 EIAB CC(=O)c1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 72282420 QUJFTEIWYCQVFQ-UHFFFAOYSA-N 338.407 4.039 0 40 EIAB CCSCC[C@@H](C)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 72305339 VSPYRXCJWRUCSS-OAHLLOKOSA-N 344.565 4.097 0 40 EIAB CC[C@@H](C)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1 75093085 HZBQOZSTHLQAHE-CYBMUJFWSA-N 334.460 4.381 0 40 EIAB CCC[C@H]1CCc2nc(NC(=O)c3cc(C4CC4)on3)sc2C1 84740803 SOZGQPCCLJBKNT-JTQLQIEISA-N 331.441 4.166 0 40 EIAB Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 95422808 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O=C(NC[C@@H](O)c1csc2ccccc12)c1cc2ccccc2o1 225692297 YJNMUPQTNPAMMZ-OAHLLOKOSA-N 337.400 4.111 0 40 EIAB CC1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2)CC1 226254946 NUQJISGNZHMJJC-UHFFFAOYSA-N 343.858 4.411 0 40 EIAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260753012 APLYOUDTQPHMQJ-KBRIMQKVSA-N 326.469 4.053 0 40 EIAB CCC[C@@H]1N=C(SC)N(c2ccccc2)C(C)=C1C(=O)OCC 408730268 GQBOCFCBTOWHDH-HNNXBMFYSA-N 332.469 4.231 0 40 EIAB Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@H]2CCCN2)n1 585262868 BGNHTUCHSFWGJO-CQSZACIVSA-N 337.452 4.077 0 40 EIAB O=C(c1ccnc(-c2ccccc2)n1)N1CCCC[C@H]1c1ccco1 1615589569 DOCUISXTYUASQW-KRWDZBQOSA-N 333.391 4.104 0 40 EIAB Cc1ccc(Cl)cc1CNC(=O)c1c[nH]nc1-c1ccccc1F 1636785043 DTAVDQXYIAOWRY-UHFFFAOYSA-N 343.789 4.108 0 40 EIAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 74316 BHBBVBYLEMPERZ-UHFFFAOYSA-N 343.434 4.353 0 40 EIAB COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc(OC)c1O 79730 KJWNBEBXNISKDR-INIZCTEOSA-N 349.386 4.037 0 40 EIAB O=C1CSC2(CCCCC2)N1c1ccc(Br)cc1 193695 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O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 3512303 VLTUPDXUTQURQQ-UHFFFAOYSA-N 339.778 4.289 0 40 EIAB COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cccnc2)cc1 5347271 BOAATSIVTYJACL-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB Oc1ccc(Cl)cc1Nc1ncc(-c2nc3ccccc3o2)cn1 5379989 YDRXHGIMQMTDMK-UHFFFAOYSA-N 338.754 4.387 0 40 EIAB CCOCCOC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 5410940 PWKYPJDPMRLTAV-INIZCTEOSA-N 328.408 4.009 0 40 EIAB Cc1ccc(NC(=O)c2c(F)cccc2F)cc1N1CCCCC1=O 5441757 NSEWCDUYQDFXJW-UHFFFAOYSA-N 344.361 4.042 0 40 EIAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 6039775 DPMOAWRYDVHSDI-NSHDSACASA-N 336.501 4.127 0 40 EIAB Cn1cccc1[C@@H]1NC(=O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 7660693 ZSTBQKWZKLTCTE-MEDUHNTESA-N 343.496 4.092 0 40 EIAB COc1ccc(C)cc1NC(=O)CNc1cccc(C(F)(F)F)c1 7955801 FYWCPKADPDHJEW-UHFFFAOYSA-N 338.329 4.073 0 40 EIAB Fc1ccccc1-c1nn2c(CSc3ccccc3)nnc2s1 8393119 BRLVZEHXPIGOJO-UHFFFAOYSA-N 342.424 4.284 0 40 EIAB CC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 9050245 CYWNARCXMJMNNW-HNNXBMFYSA-N 349.434 4.076 0 40 EIAB Cc1nn(C)c(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 9515015 KBNLDXPGUZATGU-UHFFFAOYSA-N 333.435 4.198 0 40 EIAB COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc(Cl)c1OC 9516288 TXLNOZCNWDAHDY-WFASDCNBSA-N 337.847 4.152 0 40 EIAB O=C1CCc2cc(C(=O)c3cc4cc(Cl)ccc4o3)ccc2N1 11164344 BDDOUSHUJJCEJU-UHFFFAOYSA-N 325.751 4.202 0 40 EIAB Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 12194657 SQCDFRCQHUVXOA-ZDUSSCGKSA-N 347.418 4.025 0 40 EIAB Cc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1C 12554193 OCYMXENNAXENPR-GFCCVEGCSA-N 327.453 4.391 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 12558446 XYNTVLUIEYWRII-AWEZNQCLSA-N 337.448 4.334 0 40 EIAB CC(=O)Nc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cc1 12815864 MCFBCPRZQRTJGP-UHFFFAOYSA-N 330.472 4.114 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)CCCNC(=O)c1cccs1 12901643 ZQAUJZWDQFPZGH-UHFFFAOYSA-N 344.480 4.329 0 40 EIAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(Cl)cc(Cl)c1 12911679 BSQQYHDOZDDEIX-UHFFFAOYSA-N 349.217 4.138 0 40 EIAB O=C(CNc1ccc(F)c(Cl)c1)N1CCSc2ccccc21 12993607 LPRODWZQCOXESW-UHFFFAOYSA-N 336.819 4.030 0 40 EIAB c1cncc(-c2nc(NCc3ccco3)ncc2-c2ccsc2)c1 13266260 WWHBIWOQBJSIRJ-UHFFFAOYSA-N 334.404 4.472 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)N2CCc3ccccc32)s1 15840136 HKDKWTCNACWJRG-UHFFFAOYSA-N 340.473 4.312 0 40 EIAB CCOc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1 17303683 LAQSFECSUFTHOG-UHFFFAOYSA-N 335.363 4.269 0 40 EIAB O=C(C[C@@H]1Cc2c(ccc3ccccc23)OC1=O)c1ccc(F)cc1 19894555 MVOQZPGGDQAQLV-HNNXBMFYSA-N 334.346 4.330 0 40 EIAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC 20040746 JRGVUTGQTJZPJD-YRNVUSSQSA-N 345.826 4.029 0 40 EIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)CSCc1ccccc1 20064357 UIAJJSYFILRZLN-AWEZNQCLSA-N 329.440 4.427 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Sc2ccccc2)cc1 20238442 FTYGWORSEVBQQI-HNNXBMFYSA-N 331.506 4.384 0 40 EIAB CC[C@H](NC(=O)c1ccccc1Br)c1ccc(OC)cc1 20486911 PQNGJXZHQQMVFI-INIZCTEOSA-N 348.240 4.339 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20491866 GQISRMXGZNCVEM-HZPDHXFCSA-N 327.424 4.038 0 40 EIAB Cc1ccc2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)[nH]c2c1 22045991 MOAOVYSOTOYTSE-KBPBESRZSA-N 339.464 4.229 0 40 EIAB O=C1Cc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1 22506444 DAGCGJHXIVLWAA-UHFFFAOYSA-N 336.178 4.132 0 40 EIAB CSc1ncc(Cl)c(C(=O)Sc2ccc(Cl)cc2)n1 27994741 DJJDBDFGYDTRSP-UHFFFAOYSA-N 331.249 4.438 0 40 EIAB O=C(Nc1ccccc1)Nc1cnn(Cc2c(F)cccc2Cl)c1 28305113 ZGEFETBSEJAXIX-UHFFFAOYSA-N 344.777 4.368 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3nc(C4CC4)cs3)cs2)o1 31917919 IJSOWOPTLLVPJX-UHFFFAOYSA-N 345.449 4.227 0 40 EIAB Fc1ccccc1CN(Cc1nc(-c2cccs2)no1)C1CC1 32759777 DVCYCVLQTAKUHW-UHFFFAOYSA-N 329.400 4.102 0 40 EIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Cl)cc1F 32817529 ISCUMPPISSPWHA-UHFFFAOYSA-N 343.745 4.314 0 40 EIAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@@H]1c1ccsc1)C2 40107780 AWCUMYVCIDUQKQ-NVXWUHKLSA-N 329.490 4.437 0 40 EIAB COc1ccc(C2=CCN(C(=O)CCCc3ccccc3)CC2)cc1 40122411 HOOQAMITCKOCIW-UHFFFAOYSA-N 335.447 4.334 0 40 EIAB CSCc1nnc(SCc2ccc(OC(F)(F)F)cc2)o1 43679077 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Fc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377406 XKDNUISMDLSFCW-SFHVURJKSA-N 349.413 4.091 0 40 EIAB COc1ccc(-c2nc(C)c([C@H](C)NCc3cc[nH]c3)s2)cc1 86254130 OWPIHGNIDKNMLI-LBPRGKRZSA-N 327.453 4.306 0 40 EIAB O=C(O)c1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 89262312 COLYIIAGNGZDKX-UHFFFAOYSA-N 334.253 4.121 0 40 EIAB COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2ccco2)c1 89761585 IJDPVIFQSPKOPW-UHFFFAOYSA-N 339.439 4.197 0 40 EIAB O=C(Cn1ccc2ccccc21)NCc1nc(-c2ccccc2)cs1 89851283 GULTYYHAFUMGLS-UHFFFAOYSA-N 347.443 4.081 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCOc2ccccc21 95365024 ZDVSTUNCRRKESI-UHFFFAOYSA-N 332.403 4.040 0 40 EIAB O=C(COc1cccc(Oc2cccnc2)c1)Nc1ccc(F)cc1 95455647 WCSMIAKPSIBZFE-UHFFFAOYSA-N 338.338 4.031 0 40 EIAB O=C(NCc1cccc(-c2ncc[nH]2)c1)c1ccccc1C(F)(F)F 95464766 YKLINIDEMUUPAB-UHFFFAOYSA-N 345.324 4.026 0 40 EIAB CC(C)c1sc(Cl)nc1C(=O)NCCc1c[nH]c2ccccc12 95478939 IWOOAQHERFBDSK-UHFFFAOYSA-N 347.871 4.374 0 40 EIAB Cc1cc(CNc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)o1 96489071 QRNZLITZIHWJML-UHFFFAOYSA-N 335.469 4.222 0 40 EIAB C[C@@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@@](C)=O)cc1 97045853 HQURKUYIAIBROK-CMJOXMDJSA-N 328.481 4.197 0 40 EIAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C1=O 100769787 RIZSTACIMQUWKD-YKCBXCCJSA-N 333.431 4.177 0 40 EIAB CC(C)/N=c1\ccccn1C(=O)CSCc1ccc(Cl)s1 102197380 UFBDUCUGGKDKML-SAPNQHFASA-N 340.901 4.086 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSC1CCCC1 223075639 RFZWYSRFWQTHQX-QGZVFWFLSA-N 335.513 4.253 0 40 EIAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 225475180 YPSDKJQFCBKXLC-UHFFFAOYSA-N 338.238 4.457 0 40 EIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc2ccccc12 225597779 HBWDJTIPRBSGIK-OAHLLOKOSA-N 331.415 4.136 0 40 EIAB Cc1cc(C)c(C(=O)NCC2(c3ccccc3)CCOCC2)cc1C 225653573 CLERXAUJNIMZJE-UHFFFAOYSA-N 337.463 4.090 0 40 EIAB CCCCC/C=C\C/C=C/C=C/C=C\[C@@H](O)[C@@H](O)CCCC(=O)O 299888714 UVZBUUTTYHTDRR-AYZSXJGASA-N 336.472 4.158 0 40 EIAB COc1ccc(OC)c(CSc2nc3ccc(N)cc3s2)c1 395927722 GTGGUZBMWSUYBK-UHFFFAOYSA-N 332.450 4.188 0 40 EIAB COc1ccc(CSCC(=O)N[C@H](C)CCc2ccccc2)cc1 408563344 LNSPSMLHUQXBQQ-MRXNPFEDSA-N 343.492 4.066 0 40 EIAB OCCNC(Nc1ccccc1)=C(c1ccccc1)c1ccccc1 408822206 IKBMQIWAOZJDBV-UHFFFAOYSA-N 330.431 4.098 0 40 EIAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cccs3)n2C)cc1 409203588 YABLEQVCJDMBCN-ZCXUNETKSA-N 328.462 4.173 0 40 EIAB Cc1nc(CN[C@H](C)c2c(Br)ccc(F)c2F)cs1 1615587950 WGRBSIQEULSFPT-SSDOTTSWSA-N 347.228 4.343 0 40 EIAB FC(F)(F)c1cccc(NC(=S)N2CCc3ccccc3C2)c1 67400 BFDSCNDZBCODCO-UHFFFAOYSA-N 336.382 4.461 0 40 EIAB CC(=O)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 192161 APFNSNJUAXMTHG-UHFFFAOYSA-N 330.796 4.405 0 40 EIAB Cc1c(C(=O)N2CCCC[C@H]2C)sc2nc(-c3ccccc3)cn12 429792 QOZQAKZKMDMEAX-CYBMUJFWSA-N 339.464 4.386 0 40 EIAB c1ccc(-c2nn(-c3ccccc3)cc2-n2nnc3ccccc32)cc1 480036 PVYWLPUNFQDJCA-UHFFFAOYSA-N 337.386 4.273 0 40 EIAB CCCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 520427 ZQPOIVUZAAIQTF-UHFFFAOYSA-N 340.492 4.410 0 40 EIAB CC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N 521364 YCTZJAQDEZZKLN-UHFFFAOYSA-N 326.299 4.360 0 40 EIAB CCOC(=O)CCCCC(=O)c1ccc(C)c(Br)c1 2518022 NYDPIAVFVFWZQG-UHFFFAOYSA-N 327.218 4.064 0 40 EIAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1C(F)(F)F 3325502 MMUNGXBIOKTBSC-UHFFFAOYSA-N 332.325 4.159 0 40 EIAB CC1(C)CC(=O)c2nc(NC(=O)c3ccccc3Cl)sc2C1 4129642 RYUKIEGVBXGODD-UHFFFAOYSA-N 334.828 4.204 0 40 EIAB CCOc1ccccc1-c1nn2c(-c3ccc(F)cc3)nnc2s1 4664917 PTOQCYXGPFSDRJ-UHFFFAOYSA-N 340.383 4.058 0 40 EIAB CCCOc1ccc(C(=O)Nc2cccc(NC(=O)CCC)c2)cc1 4676926 YRNAXSQISGXKHG-UHFFFAOYSA-N 340.423 4.466 0 40 EIAB CCOc1ccccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 5559740 MRIWJELEZRAWAB-LFPRZYRFSA-N 327.468 4.420 0 40 EIAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(C(F)(F)F)c1 5694625 UNGRYBSPXVWPDI-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB COc1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1F 5863495 LUPJVMVFOLAYCA-UHFFFAOYSA-N 330.384 4.485 0 40 EIAB C[C@H](Nc1ccccc1N1CCCCC1)C(=O)N1CCc2ccccc21 5939421 XSRARCIZIZJZDP-KRWDZBQOSA-N 349.478 4.067 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1nc(-c2cccs2)n[nH]1 6022692 DPMLEAIWOSHDTG-UHFFFAOYSA-N 345.449 4.037 0 40 EIAB c1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 6097257 YWLRBMODJBSFEL-UHFFFAOYSA-N 342.493 4.420 0 40 EIAB Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1 7053124 WBRCSPSSGLPSMM-UHFFFAOYSA-N 330.236 4.411 0 40 EIAB Fc1ccc(NC(=S)NCCSCc2ccco2)cc1Cl 7661345 OVNPSRIANAQHCM-UHFFFAOYSA-N 344.864 4.292 0 40 EIAB CC(=O)c1c[nH]c(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1 7965434 NKRSDKGCKLCOPS-UHFFFAOYSA-N 340.467 4.104 0 40 EIAB CCOc1cc(CNCCOC)ccc1OCc1ccc(Cl)cc1 8254530 IJWCZZNTUJZKHU-UHFFFAOYSA-N 349.858 4.054 0 40 EIAB c1coc(CSc2nc(SCc3ccco3)c3nc[nH]c3n2)c1 8581309 NCGCOORXLHRWLY-UHFFFAOYSA-N 344.421 4.124 0 40 EIAB COC(=O)c1cccc(Nc2nc(C)nc3c2oc2ccccc23)c1 9970668 BZSYYGIMWNKLAZ-UHFFFAOYSA-N 333.347 4.215 0 40 EIAB Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 10156534 VSVKDAHADIKQQV-INIZCTEOSA-N 329.403 4.441 0 40 EIAB COc1ccc(Cl)cc1NCc1nc(-c2ccccc2OC)no1 11125292 FIGQUEVRQLBIFA-UHFFFAOYSA-N 345.786 4.019 0 40 EIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(OC)ccc1OC 11637257 SMUIPSLUAMBEAV-SFHVURJKSA-N 343.423 4.117 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(Br)c1 12902368 LTMRPVSLKMFUTQ-UHFFFAOYSA-N 330.225 4.499 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 13674985 FEUYLJQFFZDWFQ-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)n1cccc/c1=N\C1CCCCC1 14903734 HXUHABDZYSVASB-DARPEHSRSA-N 347.462 4.476 0 40 EIAB Cc1ccc2nc3c(c(C(=O)Nc4nc(C)cs4)c2c1)CCCC3 15007248 WAUVWCOKXMIZQU-UHFFFAOYSA-N 337.448 4.439 0 40 EIAB CCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 20033840 XLLKOAGKTVBHFZ-UHFFFAOYSA-N 346.239 4.060 0 40 EIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSc1ccccc1 20038567 CCMCCHLQVPDKJN-SFHVURJKSA-N 329.465 4.061 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(O)c(C)c1)NCC2 20507007 NQOWXNNPHFBNDI-FQEVSTJZSA-N 341.451 4.042 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 21117137 UWNGNUGGPXMHDF-KUHUBIRLSA-N 341.476 4.370 0 40 EIAB COc1cccc(NC(=O)c2cccnc2Nc2ccccc2C)c1 22072111 QWGLCCOFAWXBSE-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB CC1CCN(Cc2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)n2)CC1 22291576 GWTBKBBXVPMIIU-XHSDSOJGSA-N 347.528 4.140 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c2ncccc12 24828839 NGAPSGJUHCDHGE-UHFFFAOYSA-N 337.766 4.211 0 40 EIAB Cc1cc(C(=O)NCCC2=CCCCC2)c(C)n1Cc1ccco1 25455692 LKNWISDZQTWTRM-UHFFFAOYSA-N 326.440 4.367 0 40 EIAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)C1CCC1 28221659 TUYITONADOSNPN-UHFFFAOYSA-N 337.354 4.281 0 40 EIAB Cc1noc2ncc(C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)cc12 30314762 PIBDLNVBZQDSHE-NSHDSACASA-N 329.787 4.018 0 40 EIAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cc1OC 32115569 NCJPKHRXWMOBLX-UHFFFAOYSA-N 344.386 4.215 0 40 EIAB C[C@@H](CCc1ccco1)NC(=O)CCC(=O)c1ccc(Cl)cc1 32716953 HTPYVQYCVLYUIH-ZDUSSCGKSA-N 333.815 4.033 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc1C 32865220 DNRIHNQWRLLVQW-OAHLLOKOSA-N 343.448 4.113 0 40 EIAB COc1ccccc1CNCCc1c(C)[nH]c2ccc(Cl)cc12 36657749 ZQQIFYIAWXOMNG-UHFFFAOYSA-N 328.843 4.471 0 40 EIAB Cc1cccc(-c2nnc([C@H](C)N3CCc4sccc4C3)o2)c1 36692526 CSVRVOQVRUFQDS-ZDUSSCGKSA-N 325.437 4.226 0 40 EIAB CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57412237 HYBZHABALHIIFI-UHFFFAOYSA-N 340.814 4.048 0 40 EIAB O=C(Nc1ccc(-c2nnco2)cc1)C1(c2cccc(Cl)c2)CC1 58267627 CYTZLOKDWDHNNT-UHFFFAOYSA-N 339.782 4.060 0 40 EIAB Cc1ccc(CN(Cc2ccco2)C(=O)c2scnc2C)s1 58424647 MWPVEPGIJXTJSA-UHFFFAOYSA-N 332.450 4.257 0 40 EIAB Nc1nc(Cl)cc(N2CC=C(c3cccc4ccccc34)CC2)n1 63738760 WHLWYRSDYQTWPM-UHFFFAOYSA-N 336.826 4.159 0 40 EIAB CCC(CC)(CC(=O)Nc1cccc(SC(F)F)c1)C(=O)O 66966088 ZLEKGTXFVDRSNH-UHFFFAOYSA-N 331.384 4.221 0 40 EIAB CN(Cc1cccc(O)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F 69561043 PBSJEVMSPDVILC-MRXNPFEDSA-N 337.341 4.087 0 40 EIAB O=C(C[C@H]1C=CCC1)N[C@@H](c1ccncc1)c1cc2ccccc2o1 69898092 QUURXKZVUMHTCK-BTYIYWSLSA-N 332.403 4.390 0 40 EIAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)n2c1 71459311 QHYAKBHZMSIECF-UHFFFAOYSA-N 333.313 4.222 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1Cl 71761832 STPMBLBETVMOCQ-UHFFFAOYSA-N 328.771 4.436 0 40 EIAB Nc1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1Cl 72229514 YRRZUCCJPKDZSQ-UHFFFAOYSA-N 345.613 4.247 0 40 EIAB CC[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccncc1 72295358 CRBFRUASNBNMDY-IBGZPJMESA-N 333.391 4.150 0 40 EIAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C[C@@H]1CCCO1)C1CCCC1 74055422 AEPPXVFSKPTYSI-AWEZNQCLSA-N 346.452 4.054 0 40 EIAB Cc1cc2oc(NC(=O)CCCc3ccccn3)nc2c(C)c1Cl 79065713 VOFCPYWKQZLMOD-UHFFFAOYSA-N 343.814 4.454 0 40 EIAB CCc1cnc([C@@H](C)NC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 95409993 IWMJYFIZEHOASA-NEPJUHHUSA-N 333.457 4.295 0 40 EIAB CCc1cnc([C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)s1 95968989 JFAQBXBPEXRCND-CHWSQXEVSA-N 345.468 4.074 0 40 EIAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(-c2ccccc2)no1 96791702 QGRRAJXNCNURFK-UHFFFAOYSA-N 347.340 4.387 0 40 EIAB CCn1ccc2ccc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc21 97113307 AIGLUNJHBZUHGJ-QGZVFWFLSA-N 337.427 4.143 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 102682212 VFLQXXOFHCXXCN-UOVPBQLFSA-N 339.822 4.132 0 40 EIAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccc(F)c1 206720905 GEHOYSIMVWVPLP-UHFFFAOYSA-N 337.354 4.277 0 40 EIAB O=C(Nc1ccn2nccc2c1)c1ccc(Oc2ccccc2)cc1 217956420 SZJWQNHNEZDNLX-UHFFFAOYSA-N 329.359 4.379 0 40 EIAB COC(=O)c1cn(C(=S)Nc2ccc(Cl)cc2)c2ccccc12 222651344 BIKPIOBZYYOQRJ-UHFFFAOYSA-N 344.823 4.326 0 40 EIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 222928907 AGJCJBGKQCBHBI-MSOLQXFVSA-N 342.512 4.093 0 40 EIAB CC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(OC)c(C)c1 223465612 VLHVOFKFYDVMCW-SFHVURJKSA-N 329.415 4.343 0 40 EIAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1cccnc1Cl 223909962 JMSLJWUYIWAOLL-UHFFFAOYSA-N 343.839 4.482 0 40 EIAB Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224709467 FIQAIJBMEJIOHW-UHFFFAOYSA-N 330.236 4.127 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc23)cc1C 225078011 DEVUUJJARYKQOB-UHFFFAOYSA-N 341.432 4.266 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)Cc2cccc(Br)c2)c(C)c1 225618013 LBYRSVWQFDTUKG-CQSZACIVSA-N 346.268 4.486 0 40 EIAB Cc1ccccc1-c1nc2cc(N(C)C(=O)C(F)(F)F)ccc2o1 226269367 VPJIOJIWRIRRLX-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(=O)c2ccccc21 408713058 IOSFGHAZEZNLNH-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@@H](C)c3ccccc32)c1 551402590 ODYYKFWSJQTBQO-LLVKDONJSA-N 343.814 4.454 0 40 EIAB Cc1ccc(NC(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c(Cl)c1C 667280397 FDGGNJUEKXFCTR-AWEZNQCLSA-N 337.895 4.199 0 40 EIAB FC(F)c1cc2ccc(I)cc2nc1Cl 685936987 GYESEPVBDUGZFF-UHFFFAOYSA-N 339.510 4.430 0 40 EIAB O=C(c1ccc(F)cc1)N1CC(Cc2ccccc2C(F)(F)F)C1 1116241921 NEVCKWVPBOHZQU-UHFFFAOYSA-N 337.316 4.159 0 40 EIAB C[C@](NC(=O)NCc1cccc(C(F)F)c1)(C1CC1)C(F)(F)F 1119867448 GLWJDPSCXFDAFJ-AWEZNQCLSA-N 336.304 4.154 0 40 EIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(C)cccc4C)OCC[C@@]31C2 1848356566 XLBKPDRQZUYAGG-AMVAKQTESA-N 341.495 4.322 0 40 EIAB CCc1nccn1CC1CN(c2nc3c(C)ccc(Cl)c3s2)C1 2087148608 BSFRKZSYPPZCCM-UHFFFAOYSA-N 346.887 4.153 0 40 EIAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(C)cc1C 570428 LUFLHMLUKIGBBT-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccc(C)cc3nc21 1278420 IKBWKRWSYATLCU-UHFFFAOYSA-N 344.418 4.474 0 40 EIAB CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1368548 JSCHDMDXTYLNBN-ROUUACIJSA-N 330.472 4.097 0 40 EIAB COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3N)n2)cc1 1415882 GUMIEMPZFFYOPM-UHFFFAOYSA-N 348.431 4.254 0 40 EIAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 2025817 DDCQWZHSBPDCGQ-UHFFFAOYSA-N 330.453 4.453 0 40 EIAB Cc1nn2c(N3CCC(C)CC3)c3c(nc2c1-c1ccccc1)CCC3 2440962 FFWPQDQBTUEQEX-UHFFFAOYSA-N 346.478 4.430 0 40 EIAB Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc(C)c1C 2625865 IWWUCGQZQCJYKO-GFCCVEGCSA-N 335.860 4.175 0 40 EIAB CCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 2721497 ZUNGBWAJTXFLNF-UHFFFAOYSA-N 349.478 4.128 0 40 EIAB O=C(Nc1ncnc2sc3c(c12)CCCC3)c1c(F)cccc1F 3175382 WRULFHXDYLJKQE-UHFFFAOYSA-N 345.374 4.101 0 40 EIAB CCCOc1ccccc1OCC(=O)Nc1c(C)cccc1CC 3323286 NTNQVRHTMABHHQ-UHFFFAOYSA-N 327.424 4.364 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCCc2ccccc21 3537018 NRTZBYIWCGIUQK-UHFFFAOYSA-N 344.842 4.048 0 40 EIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(Br)o1 3567224 QJKBIZYRHZYWHQ-VMPITWQZSA-N 336.185 4.011 0 40 EIAB COc1ccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 3591880 AIBNOVRUEIARNG-UHFFFAOYSA-N 339.420 4.456 0 40 EIAB CO[C@@H]1N(c2ccccc2)N=C(c2ccccc2)N1c1ccccc1 4262334 ZDSYEVZBXOPWNL-NRFANRHFSA-N 329.403 4.305 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccco3)nn2)c1 4357745 AWTSTIHDIFIZLS-UHFFFAOYSA-N 339.420 4.084 0 40 EIAB CSc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1 4517540 XKSADJHWIOTJRR-UHFFFAOYSA-N 345.811 4.364 0 40 EIAB C[C@H]1CCc2sc3[nH]c(SCc4ccccc4)nc(=O)c3c2C1 4730791 AQRQBFGZRXEKMX-NSHDSACASA-N 342.489 4.402 0 40 EIAB Cc1ccc(C)c(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1 5127301 JSFRDHMQAUOLBG-UHFFFAOYSA-N 341.451 4.002 0 40 EIAB C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)CCCC4)csc2C1 5235411 BVRDDOOARQMUTN-JTQLQIEISA-N 332.494 4.461 0 40 EIAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3cccc(F)c3)ccc21 5374071 UQACZYLYRXXRLH-UHFFFAOYSA-N 340.398 4.013 0 40 EIAB CCCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 5597619 LGOBGUDEHHJNNV-BCWDTRBQSA-N 331.456 4.192 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)N(C)c3ccccc3)[nH]c2c1 6025360 JDYRWSPYXBFQBX-CYBMUJFWSA-N 325.437 4.015 0 40 EIAB Cn1cccc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 6552256 UGRFMHMOOHTDDD-UHFFFAOYSA-N 325.408 4.113 0 40 EIAB Cc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 6566862 BLDINCVCCOGMHJ-UHFFFAOYSA-N 325.437 4.382 0 40 EIAB Cc1ccc2nc(SCC(=O)N3CCCc4ccccc43)oc2c1 7660739 WSODVTOXGNTTOY-UHFFFAOYSA-N 338.432 4.208 0 40 EIAB O=C(C[C@@H]1C=CCC1)N1CCC(c2nc3ccccc3s2)CC1 8022778 JHBRZUBCYPUQEX-CQSZACIVSA-N 326.465 4.359 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1C 8041567 IAAAHZLGRHQEBO-QZTJIDSGSA-N 325.452 4.208 0 40 EIAB O=C(O)Cc1sc(-c2ccccn2)nc1-c1ccc(Cl)cc1 8133576 GTKYODSIOQSXAA-UHFFFAOYSA-N 330.796 4.153 0 40 EIAB CCOC(=O)c1cc(NC(=O)N(CC(C)C)CC(C)C)c(C)nc1C 8337971 RVMMTPYMINZFEV-UHFFFAOYSA-N 349.475 4.021 0 40 EIAB Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc(C)c1C 8987784 CCJBYPRHWACBDY-CYBMUJFWSA-N 325.437 4.247 0 40 EIAB Cc1ccccc1-c1nsc(SCC(=O)NC2CCCCC2)n1 9404025 IVRWHBPONHIBSW-UHFFFAOYSA-N 347.509 4.055 0 40 EIAB CN(C)C(=O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 9470272 BXQLCZRPQVXMMB-UHFFFAOYSA-N 325.799 4.334 0 40 EIAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(O)c2)s1 12116698 YLQWYNUXZHDUIU-UHFFFAOYSA-N 341.480 4.051 0 40 EIAB C[C@@H](NC(=O)c1ccc2c3c(cccc13)CC2)c1nc2ccccc2[nH]1 12538572 VHFAHDIGSJEKMQ-CYBMUJFWSA-N 341.414 4.306 0 40 EIAB Cc1nc(CSc2ccc(C(=O)Nc3ccncc3)cc2)cs1 12550813 YVLXLZDXKLLXEL-UHFFFAOYSA-N 341.461 4.391 0 40 EIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)C1 12562560 QGWSBWXVCRPTJL-IYBDPMFKSA-N 345.446 4.415 0 40 EIAB Cc1csc(Sc2ccnc(Sc3nc(C)cs3)n2)n1 12743974 ZKUKLIVXTZHGBR-UHFFFAOYSA-N 338.508 4.309 0 40 EIAB Cc1ccc(Oc2ccc(Oc3ncnc4c3cnn4C)cc2)cc1 12753837 DKNGIZBOVOOSIX-UHFFFAOYSA-N 332.363 4.256 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13012290 WPAKKAADQIZZJJ-HNNXBMFYSA-N 333.387 4.448 0 40 EIAB CCc1ccc(-c2cc3c(=O)n(Cc4ccccc4C)ccn3n2)cc1 16840105 ZULSFPBJKRIZDH-UHFFFAOYSA-N 343.430 4.082 0 40 EIAB CCn1ncc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1C 17072021 IATHEEZYNIVWMG-KGENOOAVSA-N 345.446 4.068 0 40 EIAB Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)o1 19216399 BELXNNUXTIIDCY-GOSISDBHSA-N 337.423 4.151 0 40 EIAB O=C(NC1CCCC1)c1ccc(CN2CCCc3ccccc32)cc1 19931827 NCALOUYYBQEWEG-UHFFFAOYSA-N 334.463 4.312 0 40 EIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 24688817 MURVIUFZQMUKMH-LLVKDONJSA-N 349.839 4.246 0 40 EIAB COc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1 28232241 HFBJGIKFSKGAEE-QGZVFWFLSA-N 328.437 4.283 0 40 EIAB Cc1cccc(Cn2nccc2NC(=O)c2ccc3ncsc3c2)c1 30528033 NXZOWHKJOROUGW-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB COc1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1 30554158 ZWOLLRCFWSDWIO-UHFFFAOYSA-N 338.234 4.251 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 30860617 JJSUPDNQXYRQBY-LSDHHAIUSA-N 329.465 4.362 0 40 EIAB Cc1[nH]c(SCc2nnc(C(C)(C)C)o2)nc1Cc1ccccc1 31839769 GIZUBLSMJQGJPV-UHFFFAOYSA-N 342.468 4.282 0 40 EIAB COc1ccc(-c2csc(CCNC(=O)C3CCCCC3)n2)cc1 31848764 URMBJJXVJIYQOD-UHFFFAOYSA-N 344.480 4.058 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 38297906 QGISYVREUUQQKE-BGZMIMFDSA-N 332.484 4.341 0 40 EIAB biogenic O=C(NCc1csc(Br)c1)c1ccccc1Cl 40090937 VPUHDNNEUMRLIC-UHFFFAOYSA-N 330.634 4.094 0 40 EIAB COc1ccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1 40105477 HMAUNWMDSHOUFG-LLVKDONJSA-N 336.338 4.179 0 40 EIAB CCOc1ccccc1C(=O)N1CC=C(c2ccc(OC)cc2)CC1 40119696 YLCPNRFHKQUXNM-UHFFFAOYSA-N 337.419 4.023 0 40 EIAB COc1cccc(NCc2n[nH]c(=S)n2-c2ccc(C)cc2C)c1 40163743 IEAHCXMCFUQPLB-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB OC1=Nc2c(cnn2-c2ccccc2)[C@H](c2cccc(O)c2)SC1 44900727 SXZPAGFUDRPOBW-KRWDZBQOSA-N 337.404 4.002 0 40 EIAB CCc1nnc2sc(-c3cc(Cl)c(Cl)c(Cl)c3)nn12 45920138 BDMVHBGZQREDOD-UHFFFAOYSA-N 333.631 4.375 0 40 EIAB O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1cccs1 48172243 LUCQFGCQZQDCQV-HNNXBMFYSA-N 342.468 4.112 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NCc1c(Cl)nc2ccccn12 48260471 KOPAGVNVQIFKIZ-CYBMUJFWSA-N 329.831 4.156 0 40 EIAB O=C(Nc1cccc(COCc2ccco2)c1)OCC(F)(F)F 48312854 UTEZQKMPJMUABV-UHFFFAOYSA-N 329.274 4.107 0 40 EIAB CC[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(Br)cc1 48558910 HRTRLTBSYYGVLJ-SNVBAGLBSA-N 341.640 4.038 0 40 EIAB Fc1cc(Nc2nccc(C(F)(F)F)n2)cc(F)c1N1CCCC1 52473767 KVVLTHNARDPVFM-UHFFFAOYSA-N 344.287 4.117 0 40 EIAB COc1ccc2oc(Nc3nc4c(C)cc(N)cc4s3)nc2c1 57352664 MGRASXDPBJNTJX-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB CCN(C)c1cccc(NC(=O)c2c3c(nc4ccccc24)CCC3)c1 58106758 RPLWJGYFNSFLAS-UHFFFAOYSA-N 345.446 4.432 0 40 EIAB CC(=O)Nc1nc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cs1 64517660 AOBYDZHYEZRUIC-QGZVFWFLSA-N 329.469 4.055 0 40 EIAB COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1 65005340 VUHWUTBLZRZKST-UHFFFAOYSA-N 340.379 4.013 0 40 EIAB CC(C)Oc1cccc(CC(=O)N2CCCC[C@H]2c2nccs2)c1 72285872 YALZKQKOQOPQEH-KRWDZBQOSA-N 344.480 4.227 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F 73982730 CSVFTAMZPPWASV-NSHDSACASA-N 342.374 4.104 0 40 EIAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1cccc(Cl)c1 77116556 OTIQVKWAFYNRBN-IBGZPJMESA-N 339.822 4.347 0 40 EIAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)Nc1ccccc1F 85556866 PUPMVDOVJJVFGD-UHFFFAOYSA-N 336.370 4.279 0 40 EIAB CCN(C(=O)c1cc2nc(C)ccc2o1)[C@H](C)c1cccc(OC)c1 97001149 OHRNMVGEZFUEFH-CQSZACIVSA-N 338.407 4.368 0 40 EIAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101706817 LKWMEDLWCIVBFH-UZWSLXQKSA-N 348.295 4.096 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CC[C@@H]2C3)c1 104885861 KHZGEKXOYJUNQM-IJLUTSLNSA-N 328.403 4.428 0 40 EIAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 106539083 OVECKDAXVBMALR-UPJWGTAASA-N 334.510 4.281 0 40 EIAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 224455617 PVBYVLDOZVMQDX-ZDUSSCGKSA-N 337.872 4.083 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COC 224684860 BGIOVICVHMQERK-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1C1CCCC1 225005130 LAMXZUBTCFNGTJ-CVEARBPZSA-N 329.494 4.058 0 40 EIAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)cc1 225616872 GSMOFLQABDZBRI-HXUWFJFHSA-N 337.463 4.311 0 40 EIAB CCOc1ccc(CCCNC(=S)Nc2ccccc2F)cc1 225621900 YMXWRDCOOSLNCG-UHFFFAOYSA-N 332.444 4.144 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 225874430 OEUONFQMQVENCY-KBPBESRZSA-N 347.842 4.302 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531691 YNAGVHDXBFFZOT-FBGLYXIBSA-N 337.548 4.232 0 40 EIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCC[C@@]31C2 257268588 MMINFUGHLINKGS-ZZDIOYDHSA-N 333.516 4.303 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260740935 ARBQORPFZLAVNC-OBZTVWKBSA-N 327.468 4.028 0 40 EIAB Cc1cnc([C@@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)o1 390834396 XYUVDZJIWGDUSS-CYBMUJFWSA-N 340.383 4.071 0 40 EIAB CCOc1c(Cl)cc(-c2noc(CCc3ccco3)n2)cc1OC 546235327 IJMVFRLKFKBUKB-UHFFFAOYSA-N 348.786 4.176 0 40 EIAB COc1cc(C)c(NC(=O)N2CCC[C@@H]2c2ccccn2)c(C)c1C 563877829 MCFKZOIHAKGHHQ-QGZVFWFLSA-N 339.439 4.384 0 40 EIAB CC(C)Cc1ccc(CCC(=O)N2CCC(c3cnco3)CC2)cc1 1615550938 VWPIQQWABDBLDZ-UHFFFAOYSA-N 340.467 4.212 0 40 EIAB COc1ccc([C@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 32433 OPOFGSVKVBXFMJ-MRXNPFEDSA-N 342.445 4.084 0 40 EIAB COC(=O)C1=C(C)Nc2nc3cc(C)c(C)cc3n2[C@H]1c1ccccc1 386933 YZIVVMJSQLJZNQ-IBGZPJMESA-N 347.418 4.115 0 40 EIAB CCN(CC)CCCNc1c2c(nc3c(OC)cccc13)CCCC2 1677546 XKGDYHXFSDSXLF-UHFFFAOYSA-N 341.499 4.266 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C)c1C)C3 2159352 WFHSONCEWAJYNE-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)cc1 2304793 YFJDSQQSNYMVOP-MDWZMJQESA-N 345.401 4.062 0 40 EIAB CCCCSc1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079482 FEUAHRMYWFLHSA-UHFFFAOYSA-N 345.852 4.475 0 40 EIAB COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 4088311 GGVDTRVHUCSLJS-UHFFFAOYSA-N 341.417 4.167 0 40 EIAB CCc1nc2ccccc2c(C(=O)OCc2cn3ccccc3n2)c1C 5643599 GYNRBVUYVVYBHE-UHFFFAOYSA-N 345.402 4.110 0 40 EIAB Cc1ccc(NC(=S)Nc2ccc(-c3nnc(S)o3)cc2)cc1 5926459 PSXSACCGONQJSA-UHFFFAOYSA-N 342.449 4.143 0 40 EIAB Fc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1Cl 5937818 VBQIVORFIREBDR-AWEZNQCLSA-N 336.819 4.289 0 40 EIAB O=C(COc1ccccc1Cc1ccccc1)NCc1ccccc1F 6260808 FGKGLSISFUIUDG-UHFFFAOYSA-N 349.405 4.112 0 40 EIAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C 6471688 BMXVVOPHBGARIM-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 8041519 HBFWEFLFLRTYLM-GFCCVEGCSA-N 338.234 4.386 0 40 EIAB C[C@H](Sc1nc2ccccc2n1C)C(=O)c1c[nH]c2ccccc12 8134444 LRIIDKYXDYORRB-LBPRGKRZSA-N 335.432 4.418 0 40 EIAB O=C(OCc1nc2ccccc2o1)c1c2c(nc3ccccc13)CCC2 8527149 OXWZUNKGRSYJQK-UHFFFAOYSA-N 344.370 4.222 0 40 EIAB CCCCCC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 8903642 GKJCNYWCZRYPOL-UHFFFAOYSA-N 334.441 4.380 0 40 EIAB C[C@@H]1S[C@H](c2ccccc2)N(c2nc3ccccc3s2)C1=O 9227216 GCGRKQMTLZEACL-MEDUHNTESA-N 326.446 4.463 0 40 EIAB Cc1nc2c(ccc3nc(NC(=O)c4ccccc4)sc32)s1 9404219 OFRCOCYLLBENGX-UHFFFAOYSA-N 325.418 4.467 0 40 EIAB Cc1cc(C(=O)Nc2ccnn2Cc2cccs2)c2ccccc2n1 9447218 WHCDWLSFPGPKKF-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB COc1ccc2cc(CNC(=O)N(C)Cc3ccc(C)cc3)ccc2c1 10495220 JQRCJXPLQPCONC-UHFFFAOYSA-N 348.446 4.498 0 40 EIAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc(OC(F)F)cc1 10955369 HIKCZGFDVQLFFE-UHFFFAOYSA-N 338.379 4.459 0 40 EIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1F 11373040 BWMWZTXRKZGPBH-UHFFFAOYSA-N 346.308 4.330 0 40 EIAB CC(C)c1nccn1CCC(=O)NC1(c2ccc(F)cc2)CCCC1 12115991 GFPFKFLPTKXDMU-UHFFFAOYSA-N 343.446 4.121 0 40 EIAB O=C(NCCCn1ccnc1)c1cc2sc3ccccc3c2s1 12523874 YHTIFCMKHPPYAF-UHFFFAOYSA-N 341.461 4.133 0 40 EIAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccncc1 12543226 NTAVGRMROZSUQR-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12603221 MPAZJCMQXUDEDE-ZGKFYVQTSA-N 335.382 4.079 0 40 EIAB CCC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12728471 VHITXBCANOBSNX-ZDUSSCGKSA-N 329.827 4.489 0 40 EIAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 12774299 VOKZMJXWVIRNJQ-INIZCTEOSA-N 349.430 4.413 0 40 EIAB COc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1C 18657454 NKVRIPDFYAPXAO-UHFFFAOYSA-N 334.371 4.197 0 40 EIAB Cc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1 19936975 ZXXXJPVPWCCJNS-UHFFFAOYSA-N 329.709 4.018 0 40 EIAB COc1cc(CNc2cccc(C)c2C)cc(Br)c1O 19964229 PJTHZOHHGBWWPA-UHFFFAOYSA-N 336.229 4.392 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(Cl)cc1 20042084 PZKIGTCQPOSJLW-QGZVFWFLSA-N 331.843 4.431 0 40 EIAB O=C(OCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 21370641 RCAPOYNYJXFYEV-UHFFFAOYSA-N 347.773 4.185 0 40 EIAB COc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 28231828 AZQUHZQUJVJLCN-UHFFFAOYSA-N 327.405 4.192 0 40 EIAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c1 30188434 OGACWIMLZXPGIB-UHFFFAOYSA-N 334.803 4.158 0 40 EIAB COc1ccc(/C=C(/C)c2nc(C)c(-c3ccccc3)c(=O)[nH]2)cc1 33247678 CXISIZFSMMGDQS-YPKPFQOOSA-N 332.403 4.314 0 40 EIAB CCCCCCOc1c(Br)cc(CO)cc1OCC 35160098 XCXWXMIEVUHWFC-UHFFFAOYSA-N 331.250 4.299 0 40 EIAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccccc1 38771409 FYFSQUSSLVRAGU-GOSISDBHSA-N 335.444 4.033 0 40 EIAB CC(C)(C)c1ccccc1NC(=O)NCCCOCc1ccco1 40098113 ZFAOBTAAYDGWGW-UHFFFAOYSA-N 330.428 4.306 0 40 EIAB CC(C)OCc1cccc(CNC(=O)CCCc2cccs2)c1 40122271 FAAGIPRZFYBCLN-UHFFFAOYSA-N 331.481 4.312 0 40 EIAB Cc1cc(Br)c2oc(-c3cc(N)c(C)c(N)c3)nc2c1 40542267 ZWCAPZDNQJRDNO-UHFFFAOYSA-N 332.201 4.039 0 40 EIAB O=C(Nc1ccc(O)cc1)c1cc(-c2ccccn2)nc2ccccc12 44901869 CYQLDMSURYFPLE-UHFFFAOYSA-N 341.370 4.255 0 40 EIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1-n1cccn1 48151122 YQDZESFRXBMNEA-UHFFFAOYSA-N 338.386 4.065 0 40 EIAB CCCOc1cc(C)ccc1NC(=O)c1ccn(-c2ccccc2)n1 48290805 WNKOBEJNKRZOII-UHFFFAOYSA-N 335.407 4.222 0 40 EIAB Cc1ccnc(NC(=O)CCOc2ccccc2-c2ccccc2)c1 59895322 WKSHENOMBZBWPA-UHFFFAOYSA-N 332.403 4.465 0 40 EIAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H](C)SCc1ccccc1 71185486 PCZWZWVWMKLMTF-HNNXBMFYSA-N 331.485 4.341 0 40 EIAB COc1cccc(CNc2ncc(-c3ccccc3)s2)c1OC 76093086 IKNQUVMBBDIZBU-UHFFFAOYSA-N 326.421 4.439 0 40 EIAB O=C(/C=C/c1ccccc1)NCC[C@@H](O)c1cccc2ccccc12 77116433 NAVZDRYTNPRUJW-QZMUEMGWSA-N 331.415 4.093 0 40 EIAB CN(C)c1cccc(CNCc2csc(-c3ccsc3)n2)c1 78552610 DAQCZTWLZOTLAP-UHFFFAOYSA-N 329.494 4.227 0 40 EIAB C[C@@H](NC(=O)CCC(=O)Nc1cccc(Cl)c1F)c1ccccc1 89905561 IBJOFXPJUBHPCE-GFCCVEGCSA-N 348.805 4.075 0 40 EIAB c1ccc([C@H](NC2CCN(Cc3cccnc3)CC2)c2ccco2)cc1 95419554 JLCIWFGDFCYYKU-QFIPXVFZSA-N 347.462 4.018 0 40 EIAB CC(C)(C(=O)O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 97014490 IDNJRRVBTIZIIU-UHFFFAOYSA-N 335.762 4.094 0 40 EIAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1C[C@@H]2CC[C@@H](C1)N2C 100047630 JUCATHYIAFFXBH-OALUTQOASA-N 328.500 4.171 0 40 EIAB CCCCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1O 102718807 IUVWKSSNTIAFKX-UHFFFAOYSA-N 325.412 4.070 0 40 EIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCC(c2nc3ccccc3o2)CC1 103044164 ONTAGPCVIYKFDO-OIISXLGYSA-N 338.451 4.360 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)C1 216159218 JWXQADRPFBUSRO-QZTJIDSGSA-N 336.479 4.410 0 40 EIAB COc1ccc(CC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C 222905783 YFWDRFRSWFZSSE-KRWDZBQOSA-N 339.479 4.419 0 40 EIAB Cc1c(Cl)cccc1Nc1ccc(C(=O)N2CCCC2)cc1N 225425624 XJIUDVVOZDDYLJ-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB CC1(NC(=S)Nc2ccc(Br)cc2)CCCCC1 225846520 FBDKZMAFHDEQQJ-UHFFFAOYSA-N 327.291 4.458 0 40 EIAB CCC1(NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)CCCC1 225869662 MWJZOVHRKDPUSM-UHFFFAOYSA-N 345.512 4.131 0 40 EIAB C[C@@H](NC(=O)c1cc2cccc(Cl)c2oc1=O)c1ccc(F)cc1 226041002 NCHSHFJXCPGCCQ-SNVBAGLBSA-N 345.757 4.077 0 40 EIAB COc1ccc(C(=O)CCc2ccc(Br)cc2)cc1F 228930919 BCCVKJUHWYZASO-UHFFFAOYSA-N 337.188 4.412 0 40 EIAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O 245240585 QGISYVREUUQQKE-VFCLNGDNSA-N 332.484 4.341 0 40 EIAB O=c1oc2ccccc2cc1C1=CS[C](Nc2ccc(F)cc2)N1 409416317 RIPRYRRDXSGWGG-UHFFFAOYSA-N 339.371 4.126 0 40 EIAB O=c1c2sccc2nc(SCC2CCC2)n1Cc1ccccc1 463047740 IOBDZESBPOYJSV-UHFFFAOYSA-N 342.489 4.399 0 40 EIAB Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)cc1C 575605365 KBEKCLURRKXNBU-OAHLLOKOSA-N 345.830 4.037 0 40 EIAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3ccccc3c2)CC1=O 60171 LHHHXEJAOGTQEO-GOSISDBHSA-N 344.414 4.140 0 40 EIAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)c3ccccc3)n12 410651 LDGJFVMTQLOFLQ-UHFFFAOYSA-N 347.443 4.474 0 40 EIAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 2245631 OQBCRMMXJXMVLO-MNOVXSKESA-N 329.466 4.182 0 40 EIAB CCCCOC(=O)N1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 2473149 AQWJVHQBSHBIAH-BDAKNGLRSA-N 331.256 4.047 0 40 EIAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(O)cc1 3069672 SNDOGTHOLODLRZ-UHFFFAOYSA-N 340.206 4.497 0 40 EIAB CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1cccc(F)c1 3140125 XRFSXTHMVVCBDM-UHFFFAOYSA-N 337.354 4.203 0 40 EIAB Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c(C)o1 3464572 IOLLSPBILAZFGF-UHFFFAOYSA-N 329.396 4.124 0 40 EIAB CCCSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 4086672 YBOPWXGKWOAPNS-UHFFFAOYSA-N 337.514 4.195 0 40 EIAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C 4981708 HEZULLBBYUWITO-UHFFFAOYSA-N 348.446 4.397 0 40 EIAB CN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 5147307 RGXIZYCMZRSMQS-UHFFFAOYSA-N 327.497 4.110 0 40 EIAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)c1ccccc1Cl 6532736 NQZSVZGTKAYUHG-JTQLQIEISA-N 348.834 4.305 0 40 EIAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(Cl)cc1 8007051 GECWXEIYWQNYDC-UHFFFAOYSA-N 348.880 4.384 0 40 EIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)c(Cl)c1 8041182 VEOGUUMSFVMMEK-AWEZNQCLSA-N 337.778 4.284 0 40 EIAB CCCCn1nc(C)c(C(=O)Nc2ccc3c(c2)CCC3)c1Cl 8241021 IGWWYGYSJCGENC-UHFFFAOYSA-N 331.847 4.386 0 40 EIAB Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)cc1 8411721 DIRULCDHMCHJRI-UHFFFAOYSA-N 342.439 4.316 0 40 EIAB CN(C(=O)c1cccc(OCCOc2ccccc2)c1)c1ccccc1 8563529 IYTGNFBMRDDISB-UHFFFAOYSA-N 347.414 4.421 0 40 EIAB CCOc1ccccc1-c1noc(CN2c3ccccc3C[C@@H]2C)n1 9681282 ZBNQJMHCUJTHLQ-AWEZNQCLSA-N 335.407 4.087 0 40 EIAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccccc3F)n2)C1 12791862 FVWQKFXLNFINTP-STQMWFEESA-N 347.459 4.012 0 40 EIAB Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1 12800304 JWXPTQCTZZPVCG-UHFFFAOYSA-N 347.462 4.378 0 40 EIAB CC(C)Cn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccco1 12810407 WSBLXXMWSZIVAK-OAHLLOKOSA-N 343.452 4.020 0 40 EIAB CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1 13127221 RLECCWRYKOQKCK-UHFFFAOYSA-N 340.379 4.290 0 40 EIAB CC(C)CN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 13683496 OTLHYTWJMCGKCZ-UHFFFAOYSA-N 335.403 4.268 0 40 EIAB biogenic Cn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 14112783 FOWNUCVFIGPLHU-UHFFFAOYSA-N 335.885 4.413 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccc(Cl)cc1 15378265 CZYDENUJZRYRTQ-ZDUSSCGKSA-N 349.883 4.459 0 40 EIAB Cc1cc(C)cc(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1 16205914 YJWWDSLNYMWMNG-UHFFFAOYSA-N 325.437 4.326 0 40 EIAB Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C)cc3C)n2)cc1 17068210 QNWGKUKWUUXOGV-UHFFFAOYSA-N 332.329 4.273 0 40 EIAB Cc1nc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cs1 21530708 JVTVMXKGZNWLIN-UHFFFAOYSA-N 349.415 4.441 0 40 EIAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(F)cc3F)sc2n1 26220668 MOGSWQFAFOFUPN-UHFFFAOYSA-N 347.390 4.401 0 40 EIAB COc1ccc2nc(C)c(C(=O)N[C@H](C)CCc3ccccc3)cc2c1 29697406 GYQCTLFHDZIRGQ-OAHLLOKOSA-N 348.446 4.303 0 40 EIAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C 32863044 VJQZPTABELPTFB-JKSUJKDBSA-N 326.440 4.433 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2F)cc1 36359621 ZHVVXMCSUDVOEZ-OAHLLOKOSA-N 337.354 4.144 0 40 EIAB O=C(CSCc1ccccc1)N(Cc1ccc(F)cc1)C1CC1 39983275 UOWVRMCSWBDACR-UHFFFAOYSA-N 329.440 4.250 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1OC(F)F 40090583 HKBIJKGIQYHMFC-OAHLLOKOSA-N 337.341 4.237 0 40 EIAB COCc1ccccc1CNC(=O)Nc1cccc(Cl)c1Cl 48345136 RLSJUQPCZAJVPI-UHFFFAOYSA-N 339.222 4.462 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3CC)n[nH]2)cc1 51315396 LWLNXWUDBXWURJ-UHFFFAOYSA-N 335.407 4.290 0 40 EIAB CCC[C@@H](C)N(C)Cc1nc(-c2cc(Br)cs2)no1 56284310 QGHVMJYBQLXYMD-SECBINFHSA-N 344.278 4.181 0 40 EIAB CN(C)c1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1 56906034 DPVQLMKXYAYSDC-UHFFFAOYSA-N 335.432 4.033 0 40 EIAB O=C(NC[C@H]1CCCc2ccccc21)Nc1cccc2cccnc12 65490669 ITLUEZHKWBJFBZ-QGZVFWFLSA-N 331.419 4.476 0 40 EIAB Cc1cc([C@H](C)C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c(C)o1 69456657 AOHRJUIZYCOUIE-ZDUSSCGKSA-N 343.427 4.169 0 40 EIAB Nc1nc(-c2ccccc2)cc(-c2cccc(Br)c2)n1 71978035 SMZYUUMTUYREMF-UHFFFAOYSA-N 326.197 4.155 0 40 EIAB C[C@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccsc1 75142968 AYOLVKYJIDLDSM-MEDUHNTESA-N 341.436 4.218 0 40 EIAB O=C(CN1CCC(c2cccs2)CC1)Nc1cccc(Cl)c1 75172432 XABKATXAEHCKSV-UHFFFAOYSA-N 334.872 4.220 0 40 EIAB CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 83843917 CGFQQSYIJYZPHN-SJBKTWHCSA-N 342.442 4.433 0 40 EIAB Cc1cc(CSc2ccccc2C(=O)N2C[C@@H]3CCC[C@H]3C2)on1 84124436 MEVXLCZQMHSCCB-GJZGRUSLSA-N 342.464 4.147 0 40 EIAB CCn1cc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)cn1 95449720 VQKBNODYTLTUKZ-LJQANCHMSA-N 325.456 4.394 0 40 EIAB CC(C)(C)OC(=O)NCc1cccc(C(=O)Cc2ccc(F)cc2)c1 95917832 GQUPELKSNJLPTJ-UHFFFAOYSA-N 343.398 4.276 0 40 EIAB CC(C)Cn1ncnc1CN1Cc2ccccc2[C@@H](c2ccccc2)C1 95995292 BHLQRZVOBYWLDZ-OAQYLSRUSA-N 346.478 4.082 0 40 EIAB C1=NC2=NC(c3ccc(-c4ccccc4)cc3)=C[C@H](c3ccco3)N2N1 100435507 MSMZLFRGZQEXER-LJQANCHMSA-N 340.386 4.247 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1 113960558 JPGOWCMQYHNRSD-DOTOQJQBSA-N 327.424 4.038 0 40 EIAB O=C(NCc1ccccc1)N1CCS[C@H](c2cccs2)CC1 219532264 AARSPVDAKQJYDO-INIZCTEOSA-N 332.494 4.138 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSC1CCCC1 225115757 JOPBJJLVJXDEOO-HNNXBMFYSA-N 341.904 4.289 0 40 EIAB COc1ccc(C)cc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225118646 HSTBVAIWQVKOCB-HXUWFJFHSA-N 336.387 4.232 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 225473320 ZDQFFCCUGHCTLM-GFCCVEGCSA-N 346.427 4.050 0 40 EIAB Cc1nc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc2n1C 225893444 RYAWWPZIEWFJTF-LLVKDONJSA-N 327.815 4.026 0 40 EIAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3F)oc12 226270639 MVQVDZCSDKYGLR-UHFFFAOYSA-N 338.260 4.443 0 40 EIAB C[C@H](C(=O)N1CCOc2cccc(F)c2C1)c1cc2ccccc2o1 513079559 HHKFUGITVADMOX-ZDUSSCGKSA-N 339.366 4.097 0 40 EIAB Cc1ccc(-c2noc(CCCSCc3cccnc3)n2)cc1F 583835212 VBPNRIVIJAAGAM-UHFFFAOYSA-N 343.427 4.445 0 40 EIAB CC(C)c1ccc(CN2CCC[C@]3(CCC(=O)N3CCF)CC2)cc1 585099950 ATXUCYAFXLMOSE-NRFANRHFSA-N 346.490 4.127 0 40 EIAB COc1cccc(C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)c1 120571 DEBUJXWGJLCKDV-UHFFFAOYSA-N 341.407 4.150 0 40 EIAB C[C@@]12C[C@@H](NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2 427439 FOQKVBWGKLXQOR-VQIMIIECSA-N 342.826 4.148 0 40 EIAB CCCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21 1295115 MCPSYXFBCBKIQC-UHFFFAOYSA-N 334.379 4.148 0 40 EIAB O=c1c2ccccc2cnn1-c1c(Cl)cc(Cl)cc1Cl 1391291 ZQZXLVVEVKWKSC-UHFFFAOYSA-N 325.582 4.346 0 40 EIAB COc1ccc(COn2c(-c3ccc(C)cc3)nc3ncccc32)cc1 1400196 DCLNWDKVIHQUTL-UHFFFAOYSA-N 345.402 4.044 0 40 EIAB C[C@@H]1CCCN(CCOC(=O)c2ccc(Cl)cc2Cl)CC1 1671235 QMIALDKBKMPFPV-GFCCVEGCSA-N 330.255 4.272 0 40 EIAB Cc1cnc(SCc2ccc(Cl)cc2Cl)nc1N(C)C 1679411 WBXBTRWLGOTRMN-UHFFFAOYSA-N 328.268 4.450 0 40 EIAB CN(C)CCSCC(=O)N1c2ccccc2Sc2ccccc21 1726173 BNDTYYBICAEFAM-UHFFFAOYSA-N 344.505 4.111 0 40 EIAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(F)c(F)c1 2754782 PCUYPSQPDADSKD-FPYGCLRLSA-N 338.151 4.379 0 40 EIAB CCC(CC)NCC(=O)Nc1cc2oc3ccccc3c2cc1OC 3291320 QPEYFBYBCVJYTP-UHFFFAOYSA-N 340.423 4.311 0 40 EIAB Fc1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 4354640 UXWBVEJDYQRWJL-UHFFFAOYSA-N 325.391 4.089 0 40 EIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc2ccccc2n1 5627397 BFJCLTSLAVZHKC-CQSZACIVSA-N 334.444 4.305 0 40 EIAB CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)ccc1OCC(C)C 6325706 RQTCBWJIKVIZPY-YBEGLDIGSA-N 349.452 4.176 0 40 EIAB CC(C)CCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1Cl 6628267 ZIWGGQFWIFNRPJ-NSHDSACASA-N 338.300 4.487 0 40 EIAB C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)c1ccc(F)cc1 6821530 XZOSPBVSCWHKFO-AWEZNQCLSA-N 337.350 4.045 0 40 EIAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCc2ccccc21 6880050 OLBUWLNEJFAVSW-UHFFFAOYSA-N 343.430 4.343 0 40 EIAB O=C(CSc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 7549254 CBSIBVQDXPUBKZ-UHFFFAOYSA-N 345.851 4.442 0 40 EIAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(OC(F)F)cc1 7972626 DEDBFFDBZXWKBW-UHFFFAOYSA-N 344.720 4.131 0 40 EIAB Clc1ccccc1-c1nnc2ccc(SCc3ccco3)nn12 12323210 DIHWHFZUIMQBLX-UHFFFAOYSA-N 342.811 4.330 0 40 EIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCc1ccccc1 12539355 NCDIZULTRFPQQY-NRFANRHFSA-N 347.462 4.353 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12559142 ZGHKSELRDRFLRN-QGZVFWFLSA-N 337.467 4.424 0 40 EIAB CCc1cccc(CC)c1NC(=O)c1ccc(N2CCCC2=O)cc1 15960608 YNJIIIOCJJLZBC-UHFFFAOYSA-N 336.435 4.191 0 40 EIAB CCCc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 20033698 CPTNUKSUWGGHMD-UHFFFAOYSA-N 331.224 4.304 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(OC)cc1 20482992 HBWSKXZAISURLD-VQIMIIECSA-N 341.451 4.347 0 40 EIAB COc1ccc(-n2ccnc2SCC(=O)c2ccc(C)cc2)cc1 23138963 CPBKEVDASYDMKN-UHFFFAOYSA-N 338.432 4.164 0 40 EIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1C[C@H]1C 24503834 UBQOCBMGIIMPMR-ZRGWGRIASA-N 336.435 4.114 0 40 EIAB COCc1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1 25335524 QMXLMXUHOUGSJV-UHFFFAOYSA-N 337.828 4.150 0 40 EIAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN[C@H]1CCCC[C@H]1C 28297090 XYNAGHMHYXSCDA-ZTNFWEORSA-N 328.500 4.096 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 29103556 YFWFJWAQQMBKHO-UHFFFAOYSA-N 325.387 4.406 0 40 EIAB CCN(c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1)C(C)C 30637768 RRJBBBXEMVSTTD-UHFFFAOYSA-N 342.439 4.191 0 40 EIAB O=C(Nc1c(Cl)ccc2nsnc12)c1cc2ccccc2o1 30930107 AAGXWSWOCRXHOY-UHFFFAOYSA-N 329.768 4.343 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(OC)cc1 31702740 ZRBAGCSKUIFLBC-APWZRJJASA-N 341.451 4.347 0 40 EIAB Fc1cccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)c1 32500099 GUVRWCZIZOFZIO-UHFFFAOYSA-N 339.761 4.352 0 40 EIAB Cc1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)sc1C 33137763 OSIQALFXKICNRC-UHFFFAOYSA-N 325.393 4.200 0 40 EIAB CC1CCC(NC(=O)c2sc3ncccc3c2-n2cccc2)CC1 33297992 GARSSIJSEQQBAF-UHFFFAOYSA-N 339.464 4.396 0 40 EIAB COc1ccccc1[C@H]1CC(O)=Nc2nc(N3CCCCC3)sc21 36360679 HWYBOXOCNVDFPU-CYBMUJFWSA-N 343.452 4.266 0 40 EIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCC[C@H]2c2cccs2)cc1 36435335 LQHAXQKJRFKEHW-DYVFJYSZSA-N 342.464 4.115 0 40 EIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccco1 40067767 IOVCRSHKKUIWFV-JTQLQIEISA-N 327.211 4.489 0 40 EIAB Cc1ccsc1CNC(=O)c1cccnc1SCC(F)(F)F 40071044 QMMXTEKPTTZBAL-UHFFFAOYSA-N 346.399 4.036 0 40 EIAB Cc1cccc(OCCNC(=O)c2ccc(OCC(C)C)cc2)c1C 41156716 LPFBPYZQXMTTBY-UHFFFAOYSA-N 341.451 4.147 0 40 EIAB O=C(Nc1ccccc1COc1ccccc1)c1cn2ccccc2n1 56002665 BMMVTWORQHYQNE-UHFFFAOYSA-N 343.386 4.166 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCC1=CCCCC1)C3 57134895 HOGPRVYYBLRUPD-UHFFFAOYSA-N 325.408 4.144 0 40 EIAB CCCN(CC(F)(F)F)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 58365159 VLBZDWOBWSRGKU-UHFFFAOYSA-N 333.398 4.176 0 40 EIAB CCCCCC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 65565766 LHDNJDGMPKOZHI-HNNXBMFYSA-N 335.398 4.259 0 40 EIAB C[C@@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 69699032 OCPXEDPXWLYCES-ABZNLYFFSA-N 341.461 4.157 0 40 EIAB Cc1nc(NCCCn2cccn2)c2cc(-c3ccccc3)sc2n1 70037704 SIRHQFXFDFEDFQ-UHFFFAOYSA-N 349.463 4.365 0 40 EIAB c1ccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)cc1 72348810 TZSHNJFVJCYIBI-UHFFFAOYSA-N 343.474 4.447 0 40 EIAB Cc1nc(CNc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cs1 84274823 ZFEIVKJYHOAVLC-UHFFFAOYSA-N 345.468 4.361 0 40 EIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)c1 85806627 NDPBJPKQDCCSSD-QGZVFWFLSA-N 349.390 4.013 0 40 EIAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCc2ccccc2)c1 96407777 NWQHIRLWNAWYSH-DEOSSOPVSA-N 344.480 4.056 0 40 EIAB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(O)C[C@@H](C)CC1=N2 102602530 IRZBQEJIIHYIIU-FVMDXXJSSA-N 328.803 4.157 0 40 EIAB COc1ccc(CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 139676389 GITAZESCOABBGV-UHFFFAOYSA-N 345.398 4.107 0 40 EIAB CCc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)oc1CC 151481836 VPDQTBXTUIVBOL-UHFFFAOYSA-N 326.318 4.009 0 40 EIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2ccc(O)cc2)c1 186603042 NGKAIAVODSALJK-DEOSSOPVSA-N 346.452 4.083 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)C2)cc1 206884808 OCSXGQWLJYKGIH-TXJVSEOTSA-N 325.452 4.004 0 40 EIAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)C1 216265626 RLTXJOQHEGWIMG-CQSZACIVSA-N 344.405 4.449 0 40 EIAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 216777504 QCOOUFKNCVNGBJ-UHFFFAOYSA-N 334.799 4.494 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(OC)ccc2OC)cc1 222873124 IYHKZRINUONTHW-SFHVURJKSA-N 343.423 4.062 0 40 EIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(C)cc1 222965604 NQOOMBHTIBIUSY-GOSISDBHSA-N 347.480 4.050 0 40 EIAB Cc1ccc(OCCCC(=O)NC(C)(C)Cc2ccccc2)cc1 223932836 KVUGAYWVWCZGFN-UHFFFAOYSA-N 325.452 4.292 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)NCCOCc2ccccc2)cc1 224039868 CAKHMVPCBOAFFT-UHFFFAOYSA-N 339.479 4.250 0 40 EIAB O=C(NCc1ccccc1Cl)c1cc(-c2ccc(F)cc2)on1 224065709 LYHDKGIZXULLKY-UHFFFAOYSA-N 330.746 4.064 0 40 EIAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1F)CC(C)(C)O2 225449173 LXXWCFSDYBDSJK-KRWDZBQOSA-N 327.399 4.095 0 40 EIAB Cc1ccccc1NC(=O)NC[C@H](O)c1csc2ccccc12 225699071 XTZNQQZTWOIAJS-INIZCTEOSA-N 326.421 4.065 0 40 EIAB O=C(Cc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 225849003 BSMKUTWRIFDAAG-UHFFFAOYSA-N 327.855 4.364 0 40 EIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(O)c(Cl)c2)S1 260756095 DEEMIZKCPKMIGA-HPEXNQPKSA-N 345.855 4.030 0 40 EIAB Cc1ccc(-c2cc(NC(=O)C(F)(F)F)n(-c3ccccc3)n2)cc1 408896446 YOFQNIUNNRDVLO-UHFFFAOYSA-N 345.324 4.349 0 40 EIAB CCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 31401 DRQJSDYVORTCEY-MGPUTAFESA-N 336.435 4.316 0 40 EIAB O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1cccs1 540022 KQEQWHNMNBZJFP-UHFFFAOYSA-N 329.450 4.274 0 40 EIAB CCC(C)(C)[C@H]1CCc2sc3ncnc(N4CCOCC4)c3c2C1 547817 FDFGRMZBWCYFJZ-ZDUSSCGKSA-N 345.512 4.069 0 40 EIAB O=C(Nc1ccc(F)cc1F)C(F)(F)Oc1ccc(Cl)cc1 1393146 WMWYYADAMAFDNF-UHFFFAOYSA-N 333.668 4.229 0 40 EIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 2636413 KDCDXFNMLHYRIS-JTQLQIEISA-N 342.247 4.133 0 40 EIAB O=C(Cc1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 3104868 AOAFCCXBNBDSEJ-UHFFFAOYSA-N 340.275 4.444 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)cc1 3298675 XLHMMLIYPAWXKB-LBPRGKRZSA-N 347.256 4.451 0 40 EIAB Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 3402351 TVYSOAKNXRUQJO-UHFFFAOYSA-N 345.512 4.487 0 40 EIAB CN(C)c1nc(Sc2ccc(Cl)cc2)cc(C(F)(F)F)n1 3469899 CMFPLTGGTJKZHM-UHFFFAOYSA-N 333.766 4.366 0 40 EIAB CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 3501356 VLDUWWDYZRRTAS-CQSZACIVSA-N 337.448 4.329 0 40 EIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 3504309 KZZAAUFVWQGFNC-INIZCTEOSA-N 325.408 4.220 0 40 EIAB O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 4438626 SHODEKNQDYLGMS-GFCCVEGCSA-N 334.202 4.116 0 40 EIAB CCn1c(CNC(=O)[C@H](C)Oc2ccccc2)cc2cc(C)ccc21 4973488 ZSRRDGKJEGAXJR-INIZCTEOSA-N 336.435 4.053 0 40 EIAB CCOc1ccc(N2C(=O)S/C(=C\c3cccc(F)c3)C2=O)cc1 5180347 FCBDAIMDOGBLJN-WJDWOHSUSA-N 343.379 4.465 0 40 EIAB C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)Cc1ccccc1 5629212 PHNSJFGWUSUGQU-ZDUSSCGKSA-N 342.489 4.436 0 40 EIAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2O1 6152356 UCCCXDMEWFWFNS-UHFFFAOYSA-N 331.799 4.071 0 40 EIAB Fc1cc(Br)ccc1COc1ncnc2sccc12 6628272 GSFCMPQJIXCDNS-UHFFFAOYSA-N 339.189 4.172 0 40 EIAB CN(CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)cc1Cl 7356862 UXZBIUSVWVSRNY-UHFFFAOYSA-N 349.261 4.015 0 40 EIAB C[C@H](CCc1ccco1)NC(=O)Cc1csc(-c2cccs2)n1 8776534 ORVIPBROGJRAOD-GFCCVEGCSA-N 346.477 4.145 0 40 EIAB CCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(C)C 11565832 AWUBXVRVOUWZRM-UHFFFAOYSA-N 347.480 4.077 0 40 EIAB Cc1cccc(C)c1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 12569770 FSYZNGNBCOCNGG-DHZHZOJOSA-N 343.810 4.152 0 40 EIAB Oc1ccc(C2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 12981501 CYVFYVWPJNKKEI-UHFFFAOYSA-N 334.419 4.427 0 40 EIAB O=c1cc(C(F)(F)F)nc(SCc2cccc3ccccc23)[nH]1 13115370 DFVBOFWGIVJVMO-UHFFFAOYSA-N 336.338 4.234 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccccc1C(F)(F)F 13265256 URVSBLFEMKBFOG-SUMWQHHRSA-N 333.357 4.066 0 40 EIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 13305018 LECIWVMMBWBHEY-KKEHIWFPSA-N 349.559 4.233 0 40 EIAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 13408800 LLKXAWZFTUNUTQ-OWLVHUDESA-N 336.516 4.379 0 40 EIAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1F 14654663 ZXZIGQYFFDFRRO-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB O=C(Cc1ccc2ccccc2c1)Nc1ccccc1N1CCCC1=O 16105827 GWAVMZZBNAGBJV-UHFFFAOYSA-N 344.414 4.148 0 40 EIAB Cc1nc2ccccc2n1CCc1noc(-c2ccc(Cl)cc2)n1 17144173 KDCAQRDXPYKWAM-UHFFFAOYSA-N 338.798 4.291 0 40 EIAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)c(F)c1 21576372 QNWAHTJYSBPOAH-UHFFFAOYSA-N 342.414 4.142 0 40 EIAB Cc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCCC2)cc1 27662126 NJFVGYHNBSXSKW-QGZVFWFLSA-N 328.481 4.014 0 40 EIAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccccc1Cl 28238028 HNWASAXDZKVAGA-VIFPVBQESA-N 345.752 4.139 0 40 EIAB Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 28685661 CAAUHARMVJAHTF-UHFFFAOYSA-N 336.416 4.306 0 40 EIAB Cc1noc(C)c1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 29702170 MLIDXKBZYCEVEX-NRFANRHFSA-N 346.430 4.008 0 40 EIAB Fc1cc(CSc2nnc(C3CC3)n2C2CC2)c2ncccc2c1 31617439 HMYCNIFAGXPBIV-UHFFFAOYSA-N 340.427 4.470 0 40 EIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2ncccc12 32871956 IURYMRYSWDREPJ-UHFFFAOYSA-N 332.281 4.386 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1nc2ccccc2s1 36869777 FAEGBVUPFZWORZ-UHFFFAOYSA-N 349.459 4.401 0 40 EIAB CC(C)C(=O)O[C@@H](c1ccccc1)N1C(=O)C(C)(C)c2ccccc21 38337845 KABCMDXGISWAGE-SFHVURJKSA-N 337.419 4.209 0 40 EIAB CCc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39752776 MQAMMVXWYZUFHY-UHFFFAOYSA-N 336.479 4.408 0 40 EIAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(C)cc2C)c1 40525370 QUQZXTNKGNOWFP-AWEZNQCLSA-N 325.412 4.145 0 40 EIAB O=S(=O)(Cc1cccc(Cl)c1)Cc1ncc(-c2ccccc2)o1 50140329 GHSDJPHDMNMGOI-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB CCOC(=O)Nc1cccc(NC(=O)N(C)C(C2CC2)C2CC2)c1C 51641497 OPLKCRBBYCOBET-UHFFFAOYSA-N 345.443 4.216 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 57413549 BQTXGOYQEBHSRM-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB O=C(C=C1CCCC1)NCc1ccc(CN2CCc3ccccc32)cc1 58154609 PJGMWZDADWYNPL-UHFFFAOYSA-N 346.474 4.366 0 40 EIAB CC[C@H](NC(=O)Nc1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 58156931 IPDZIAAKUOYIME-INIZCTEOSA-N 338.386 4.489 0 40 EIAB CC(=O)c1ccc(NCn2nc(-c3ccccc3)oc2=S)cc1 59488422 DKJPLFGYLYJAFT-UHFFFAOYSA-N 325.393 4.145 0 40 EIAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 66310896 RRNREZBBGITYMO-QZTJIDSGSA-N 346.430 4.338 0 40 EIAB O=C1NCCCC[C@@H]1Sc1nnc(-c2ccccc2)c2ccccc12 69257932 CAGOOQJTUKOAOF-KRWDZBQOSA-N 349.459 4.058 0 40 EIAB CCc1cccc(CC)c1NC(=O)CN(C)[C@H](C)c1cccc(O)c1 69589119 GSZLRYFGPPARPH-OAHLLOKOSA-N 340.467 4.149 0 40 EIAB O=C(O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1 70139867 GYPAJNDQPKEBOX-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)ccc1O 71750309 QPGQPBQQGQGQRJ-SFHVURJKSA-N 337.463 4.494 0 40 EIAB Cc1csc(C2(NC(=O)Nc3ccc(N(C)C)c(C)c3)CCC2)n1 72313559 PDKZDLSOQRAIOZ-UHFFFAOYSA-N 344.484 4.027 0 40 EIAB Cc1ccc(-c2nc3cnccn3c2NCc2cccs2)s1 72341925 WCDUXBRMWXPURM-UHFFFAOYSA-N 326.450 4.440 0 40 EIAB COc1ccc(OC)c2c(Nc3cccc(C(=O)O)c3)cc(C)nc12 78401734 HLRZKAAJNJVWOK-UHFFFAOYSA-N 338.363 4.002 0 40 EIAB O=C(CCCOc1ccccc1)Nc1cccc(Oc2cccnn2)c1 78879149 KSWKHRCTROAEOR-UHFFFAOYSA-N 349.390 4.067 0 40 EIAB COc1cc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)on1 79476410 LIIUYPUSGOOXER-UHFFFAOYSA-N 338.363 4.047 0 40 EIAB OC[C@@H]1CCCCC[C@H]1Nc1nc(-c2cccnc2)nc2ccccc12 84593298 KUURZSQKMAORKH-FUHWJXTLSA-N 348.450 4.045 0 40 EIAB C[C@@H](c1ccccc1F)N(C(=O)Nc1ccc2c(c1)OCO2)C1CC1 95373551 IMDLDGDVFSKFEA-LBPRGKRZSA-N 342.370 4.312 0 40 EIAB COc1ccc2c(c1)[C@H](N[C@@H](c1ncccc1C)C(C)C)CCO2 95422487 QIVMZPLCSIVGGT-IEBWSBKVSA-N 326.440 4.209 0 40 EIAB CC1CCN(c2cccc(NCc3ccc([S@](C)=O)cc3)c2)CC1 95429261 IAZNVMXFQJCVKV-XMMPIXPASA-N 342.508 4.272 0 40 EIAB Fc1cccc(CN2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1 96073455 ARIKQSHOUPLRAL-PZJWPPBQSA-N 325.427 4.364 0 40 EIAB CC[C@](CNC(=O)Nc1ccc(C)c(C)c1)(OC)c1ccccc1 96123819 ZSZJIIPIGCDNQU-HXUWFJFHSA-N 326.440 4.377 0 40 EIAB O=C(CC1CCCC1)NCc1ccc([C@@H](O)c2ccccc2)s1 207968807 PAZIGGZCJSTRDV-IBGZPJMESA-N 329.465 4.026 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccccc1Cl 219572997 PLGYPTLGWKWCFT-QGZVFWFLSA-N 349.833 4.386 0 40 EIAB Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccccc2Cl)c1 223976762 QKYCBTPYKMEGKJ-MDZDMXLPSA-N 329.827 4.165 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N1CCc2ccccc2C1 224136097 MNNGPXKEKOYPGJ-UHFFFAOYSA-N 349.858 4.297 0 40 EIAB CCCCCNC(=O)c1ccc(OC)c(COCc2ccccc2)c1 224355762 XUNLBLBPWLVLAT-UHFFFAOYSA-N 341.451 4.332 0 40 EIAB CCc1ccc([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 225288417 GJVGGYVKRARCSW-INIZCTEOSA-N 337.463 4.384 0 40 EIAB CNC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225495030 FJYDDFXXWACNPG-UHFFFAOYSA-N 333.391 4.164 0 40 EIAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)c(C)c1 225608969 MWWBJKXXKVYXFT-GOSISDBHSA-N 335.444 4.181 0 40 EIAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2cccnc12 225890313 NGTRYKIIFOEPHV-VLIAUNLRSA-N 342.439 4.167 0 40 EIAB Cc1cc(C=O)cc(C)c1OC(=O)c1cccc(Br)c1 256051686 KDVJTGKGWKGVRB-UHFFFAOYSA-N 333.181 4.098 0 40 EIAB Cc1cnc([C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)s1 257285043 PFJPGSSYCDDVKD-CQSZACIVSA-N 337.448 4.020 0 40 EIAB COC(OC)c1cc(N)ccc1Oc1cccc(C(F)(F)F)c1 1083812511 MMBAYZFHSGMHTM-UHFFFAOYSA-N 327.302 4.371 0 40 EIAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 154657 MFGACVUQAVSPNQ-NSHDSACASA-N 342.489 4.294 0 40 EIAB COc1ccccc1OCCC(=O)Nc1ccc2nc(C)sc2c1 2656827 KRFBBQKFEWUWMA-UHFFFAOYSA-N 342.420 4.021 0 40 EIAB O=C(OCCCCCCOC(=O)c1ccccc1)c1ccccc1 4017997 TYTTZVDFWCBYPG-UHFFFAOYSA-N 326.392 4.261 0 40 EIAB O=C(/C=C/c1cccs1)Nc1nnc(-c2ccc(Cl)cc2)o1 4330226 UPDVNCQCFXWKTP-BQYQJAHWSA-N 331.784 4.103 0 40 EIAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 5460455 VYOXGTOAJDFXGF-MRXNPFEDSA-N 333.435 4.446 0 40 EIAB O=C(CN1CCCc2ccccc21)Nc1ccc(SC(F)F)cc1 5638171 IUANNSKFJCBYRD-UHFFFAOYSA-N 348.418 4.393 0 40 EIAB CC(C)CC[C@H](C(N)=O)[C@@H]1NC2(CCCCC2)Cc2ccccc21 5832604 IEYQENFPCJVEIG-RBUKOAKNSA-N 328.500 4.114 0 40 EIAB CC(C)(C)CC(C)(C)NC[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 6617330 IZSDRPZNOODBAV-BIZBXSGISA-N 339.564 4.383 0 40 EIAB O=C(Nc1c(F)c(F)cc(F)c1F)c1cccc(Br)c1 6638304 RYTGMECBMURHMM-UHFFFAOYSA-N 348.093 4.258 0 40 EIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2)cc1 7884000 CUMQGZIHFJGIJE-OAQYLSRUSA-N 344.414 4.467 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8049925 DMSGUONXZKBBJI-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 8086126 FJHTUMSCUPHFQA-LBPRGKRZSA-N 333.790 4.319 0 40 EIAB Cc1ccc(C)c(OCCC(=O)N[C@@H]2CCSc3ccccc32)c1 8343104 SYFQYPGLXHQTIR-QGZVFWFLSA-N 341.476 4.426 0 40 EIAB CN(CCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 10113701 VJOYTTXZPNKNPX-UHFFFAOYSA-N 330.431 4.220 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)c(C)c1 10543892 GDUCVPHCRVZASP-QGZVFWFLSA-N 331.481 4.268 0 40 EIAB O=C(COc1ccc(F)cc1Cl)NCC1(c2ccccc2)CCC1 11193713 AOCLKRRENJLOFE-UHFFFAOYSA-N 347.817 4.096 0 40 EIAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC1CC1 12323491 PIWVAHWNEKZSNP-UHFFFAOYSA-N 327.236 4.318 0 40 EIAB O=C(CSc1ccc2ccccc2c1)Nc1cccc(C(=O)O)c1 13094546 XFMWVZJAVDNEJL-UHFFFAOYSA-N 337.400 4.269 0 40 EIAB OCCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 13566039 OWUMBQMRBFQULL-UHFFFAOYSA-N 346.430 4.193 0 40 EIAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1 15378264 CZYDENUJZRYRTQ-CYBMUJFWSA-N 349.883 4.459 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 15526183 BABDGNNUQMPRKM-OAHLLOKOSA-N 342.414 4.222 0 40 EIAB CCOc1ccccc1NC(=S)NCCSc1ccc(C)cc1 18138943 DOMHYSILIWGRBM-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB Cc1cc(Br)ccc1NC(=O)c1ccc(N)cc1Cl 19269829 IGRYWAHHHGUSIG-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB Fc1cc(F)cc(CN2CCC(c3cc4ncccc4cn3)CC2)c1 19347404 RTFJHDBDCZXMQA-UHFFFAOYSA-N 339.389 4.288 0 40 EIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1Cl 20460869 PCNBNCOGSASOQF-QGZVFWFLSA-N 331.843 4.431 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc2C1 20489435 FUMJPHAUWYGWMR-QGZVFWFLSA-N 329.827 4.082 0 40 EIAB O[C@H](CNc1ncnc2c1oc1ccccc12)c1ccc(Cl)cc1 30859662 JLWVRFKJDRXTEM-CQSZACIVSA-N 339.782 4.175 0 40 EIAB Cc1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)sc1C 32776635 HFJWGZIPWLOZJL-INIZCTEOSA-N 331.437 4.175 0 40 EIAB CCC[C@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1 32801800 RZRHSCDDUOKVNU-KRWDZBQOSA-N 331.504 4.136 0 40 EIAB CC(C)(C)[C@@H](O)c1cccc(-c2cccc([C@H](O)C(C)(C)C)n2)n1 38356241 CAOIUNFSPMSYIQ-ROUUACIJSA-N 328.456 4.303 0 40 EIAB Cc1ccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)cc1C 38654246 FVLWISJFVPXRAN-UHFFFAOYSA-N 335.338 4.001 0 40 EIAB CC(C)CCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 44841384 PZFGZGLAZZFBGY-UHFFFAOYSA-N 336.479 4.415 0 40 EIAB Cc1nnc(NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)s1 44922063 PUZHXDGYZIGPAC-UHFFFAOYSA-N 348.431 4.102 0 40 EIAB O=C(NCc1ccoc1)c1cn(-c2ccccc2)nc1-c1cccs1 45835831 VYTBHTIZPDNNLW-UHFFFAOYSA-N 349.415 4.124 0 40 EIAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 45996884 XAMNZHHBYOMXNK-UHFFFAOYSA-N 339.435 4.161 0 40 EIAB COc1ccc(NC(=O)N2CC=C(c3ccc(OC)cc3)CC2)cc1 47544056 RPBUKGKJRMVRGJ-UHFFFAOYSA-N 338.407 4.025 0 40 EIAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc2ccccc2o1 48252322 SIUBDJJJGSXUSP-UHFFFAOYSA-N 349.434 4.138 0 40 EIAB COC(=O)c1ccccc1NCc1c(C)cc(C)c(C(C)=O)c1C 48261609 QQVZBILDNDGARN-UHFFFAOYSA-N 325.408 4.213 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C 48355651 AMHTYSMKMZIUOP-MOPGFXCFSA-N 327.468 4.337 0 40 EIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1OCc1ccccc1 49549776 WJGYVOLMUGEJFO-MRXNPFEDSA-N 333.391 4.123 0 40 EIAB Cc1occc1CN(C)C(=O)c1cccnc1SC1CCCC1 55474980 VYSDPEKRXMJOGI-UHFFFAOYSA-N 330.453 4.290 0 40 EIAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 58226610 BLDQDLSHJDHVDA-BMLIUANNSA-N 332.831 4.316 0 40 EIAB Cc1nc2ccc(NCC(=O)NC3CCCCCCC3)cc2s1 60465550 NTVKAVZJWTZRLY-UHFFFAOYSA-N 331.485 4.246 0 40 EIAB CC(C)(C)c1nc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cs1 69414595 GJUMDJYKFVSDIF-UHFFFAOYSA-N 342.464 4.076 0 40 EIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@H](C)C1 71857091 WNXLEPAWDVJLBN-ZDUSSCGKSA-N 342.468 4.200 0 40 EIAB Fc1ccc(Cc2cccc([C@@H]3CCCN3C3CCOCC3)n2)cc1 72358154 YXQJQMSSXHZNFZ-NRFANRHFSA-N 340.442 4.127 0 40 EIAB C[C@H](N(C)C(=O)CCCc1ncc(-c2ccccc2)o1)C1(C)CC1 79053867 JLQPNBYAZZHAMP-HNNXBMFYSA-N 326.440 4.311 0 40 EIAB C[C@H]1CCCN(c2nc(-c3ccc4c(c3)OCCCO4)cs2)C1 84697595 RRKGXWQDSJVXPW-ZDUSSCGKSA-N 330.453 4.208 0 40 EIAB CCCOc1cccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1 84758627 LIYBFYDDFDTVAD-UHFFFAOYSA-N 339.435 4.233 0 40 EIAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)CC(F)(F)F 89589089 IMVFWAZSSBGTFQ-UHFFFAOYSA-N 332.322 4.233 0 40 EIAB Cc1ccc(F)c(CN[C@H](c2ccc(Cl)cc2)c2ncon2)c1 90202590 WHSPVJGFWQERPK-MRXNPFEDSA-N 331.778 4.050 0 40 EIAB COc1cc(C=O)c(Br)cc1OCc1ccccc1C 95094995 GIIQDJMKQQNHAJ-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB COc1cc(CN(C)C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1SC 95454498 YEDDUPJSSSWDJK-OKILXGFUSA-N 336.501 4.232 0 40 EIAB CC(C)n1ccc2c(C(=O)NCc3nc4ccccc4[nH]3)cccc21 95475820 QKKYYCORZLPHDY-UHFFFAOYSA-N 332.407 4.029 0 40 EIAB Cc1ccccc1-c1nc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)no1 96471493 CVISHJYCBKGXMF-RKNYENMMSA-N 344.411 4.194 0 40 EIAB C[S@](=O)Cc1cc(NCc2ccc(F)cc2F)ccc1Cl 97084917 KAYAMLIKWIBDFP-OAQYLSRUSA-N 329.799 4.109 0 40 EIAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 102509415 WWCZZUCBFHITNR-IJLUTSLNSA-N 329.271 4.298 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C(C)C 108849853 LPLBSHKIEAEEOC-BOSXTWCSSA-N 329.484 4.438 0 40 EIAB COc1ccc(-c2ncc(C(=O)Nc3cc(C)cc(C)c3)c(C)n2)cc1 223140082 SMQVWZMDTKIPFO-UHFFFAOYSA-N 347.418 4.330 0 40 EIAB CCSc1ccccc1C(=O)NCC[C@H](O)c1cccc(Cl)c1 225609008 JBKNPDXXEMBWQL-INIZCTEOSA-N 349.883 4.306 0 40 EIAB CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OCC 225787704 KFXLJVQZPKVSDL-UHFFFAOYSA-N 333.428 4.171 0 40 EIAB FC(F)(F)c1nnc2sc(-c3cc(Cl)cc(Cl)c3)nn12 226293814 GVNKRLLCLUYXES-UHFFFAOYSA-N 339.129 4.178 0 40 EIAB CC(C)CN(C(=O)c1cnn(C(C)C)c1)[C@@H]1CCCc2cccnc21 329881289 OHZDRJPOQADNCF-GOSISDBHSA-N 340.471 4.035 0 40 EIAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)no1 331572745 QZJZVJXKVBHWHN-ZIAGYGMSSA-N 338.329 4.068 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@H]2C12CC2 408758364 JFKCSDYZOZJPJX-JYBIWHBTSA-N 341.410 4.055 0 40 EIAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@H](OC(F)F)C2)cc1 585080615 PEVMUJYCLANDGR-HNNXBMFYSA-N 346.377 4.192 0 40 EIAB Cc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 585288553 DNOKKJFXFNAMNV-XUVXKRRUSA-N 345.870 4.099 0 40 EIAB CCc1ccc2nc3sc(C(=O)N4CCCCC4)c(N)c3cc2c1 410766 HJGYBGJGMKRSFN-UHFFFAOYSA-N 339.464 4.220 0 40 EIAB C[C@@H]1CC(C)(C)N(CN2C(=O)c3ccccc3C2=O)c2ccccc21 499954 MMZJUCRQDYSZSK-CQSZACIVSA-N 334.419 4.033 0 40 EIAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)c(Cl)c1 789864 YJFNKHOHXYQTHW-UHFFFAOYSA-N 342.129 4.116 0 40 EIAB Cc1ccc2c(c1)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)O2 1328433 YGUKOTNNCWZZHS-LBPRGKRZSA-N 335.325 4.328 0 40 EIAB O=C1Oc2ccccc2[C@@H]2ON=C(c3c(Cl)cccc3Cl)[C@H]12 1386060 PYWVDDLPQZNQMF-ZFWWWQNUSA-N 334.158 4.004 0 40 EIAB CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2Cc1ccoc1 1565946 HEYXXBUDMDVUNQ-HMXCVIKNSA-N 325.452 4.490 0 40 EIAB CCN(CC)C[C@H](C)[C@H](C)OC(=O)c1ccc(OCC(C)C)cc1 2040879 GRALFSQRIBJAHX-IRXDYDNUSA-N 335.488 4.245 0 40 EIAB in-man Cc1ccc(C)c(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 2112850 BUHSOZATXPNMEC-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic O=C(Nc1nccs1)c1cc(-c2ccccc2)nn1-c1ccccc1 3360269 WRDNTZCOFSIWOL-UHFFFAOYSA-N 346.415 4.248 0 40 EIAB aggregator O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1COc2ccccc2O1 3551890 RJWBWRGQSKPLML-FQEVSTJZSA-N 347.370 4.257 0 40 EIAB Cc1ccc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 4310145 MFQYKKPLFPHEMD-XYJFISCASA-N 349.478 4.180 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1 4330929 DRLJPOHRHCHTDS-UHFFFAOYSA-N 342.420 4.183 0 40 EIAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccncc2)N3)C1 4913726 ISIBJCIQXCPWSD-WBMJQRKESA-N 341.480 4.148 0 40 EIAB Cc1nn(C)c(C)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1 5950592 JYINUYUEIRDBQS-JLHYYAGUSA-N 341.436 4.052 0 40 EIAB O=C(Nc1ccccc1C(=O)N1CCc2ccccc21)c1cccs1 6341761 CHMYHWVBCRDYGW-UHFFFAOYSA-N 348.427 4.203 0 40 EIAB Cc1ccc2nc(S)n(-c3cccc(C(F)(F)F)c3)c(=O)c2c1 6490918 YFQZMEPYIPZAFR-UHFFFAOYSA-N 336.338 4.002 0 40 EIAB Cc1ccc(-c2nc(Cn3nnc(-c4ccccc4C)n3)cs2)cc1 7005543 PYYZLQNKVBUYAZ-UHFFFAOYSA-N 347.447 4.129 0 40 EIAB CCN1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O)c2C1 7751518 OPWPMIRAYATWNQ-FOWTUZBSSA-N 344.414 4.309 0 40 EIAB Clc1cccc(-n2ncc3c(NC4CCCCC4)ncnc32)c1 8583031 QOBXYZXYCVOFRL-UHFFFAOYSA-N 327.819 4.214 0 40 EIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(N(C)C)c1 9336187 JITTYTHJBGOFST-UHFFFAOYSA-N 337.250 4.332 0 40 EIAB Oc1nc(SCc2c(F)cccc2Cl)nc2ccsc12 12908566 BSCWYENHPNCARL-UHFFFAOYSA-N 326.805 4.482 0 40 EIAB Cc1ccc(OCc2nnc(-c3ccc(Br)cc3)o2)cc1 14197367 GLXMLJPPKZEPFJ-UHFFFAOYSA-N 345.196 4.387 0 40 EIAB O=C(c1ccccc1F)N1CCC[C@H]1c1nc2ccccc2s1 15646808 BQOYEVCRFOUFGW-HNNXBMFYSA-N 326.396 4.413 0 40 EIAB C[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 16694737 UOUNBQFJJVKJJQ-LSDHHAIUSA-N 347.462 4.214 0 40 EIAB COC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 16779096 MJKITFXHHCJMGH-INIZCTEOSA-N 331.824 4.498 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)cc1OC 20044626 NRBWZCYPQAXNQV-OAHLLOKOSA-N 349.814 4.153 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20143062 AOCCYCSKIAFTRS-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccco1 20495088 QSGLILJBOVFBSC-UHFFFAOYSA-N 330.236 4.136 0 40 EIAB CCc1cc(=O)oc2c3c(ccc12)OCN([C@H](C)c1ccccc1)C3 20610202 UAWDMSXWKSKYAG-CQSZACIVSA-N 335.403 4.269 0 40 EIAB biogenic O=Cc1ccc(OCc2cccc(COc3ccc(C=O)cc3)c2)cc1 21993148 ZPSKSLMDQIUZPV-UHFFFAOYSA-N 346.382 4.470 0 40 EIAB CCOc1ccc(CCC(=O)Nc2ccccc2OC)cc1OCC 22526451 FNOOAACFZCYVJS-UHFFFAOYSA-N 343.423 4.064 0 40 EIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 24708539 OSRPUVNOVRJGOK-ZDUSSCGKSA-N 335.378 4.484 0 40 EIAB Cc1ccsc1CNC(=O)c1csc(-c2ccc(F)cc2)n1 29235971 KGWKOEIKRNMIAG-UHFFFAOYSA-N 332.425 4.249 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c(C)c1 31721955 HIHSXZDKLANYGV-UHFFFAOYSA-N 328.437 4.202 0 40 EIAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 32609799 UKKIZXNWKLJANB-SECBINFHSA-N 338.190 4.213 0 40 EIAB O=C(c1nccc2ccccc12)N1CCC(Cc2ccccc2)CC1 34198887 TVNVUIRDAHCNCG-UHFFFAOYSA-N 330.431 4.330 0 40 EIAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)[C@@H](C)c1ccccc1 35142177 ZZMZJZDPUQHIJM-SWLSCSKDSA-N 345.826 4.482 0 40 EIAB O=C(Nc1ccccn1)c1cc2occc2n1Cc1ccc(F)cc1 36360162 FWLBWIPTPNISOO-UHFFFAOYSA-N 335.338 4.069 0 40 EIAB O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccsc1 40138988 XGEDHRDVIQFTIB-HOTGVXAUSA-N 328.437 4.118 0 40 EIAB O=C(Cn1ccc2ccccc21)N1CCC(Cc2ccccc2)CC1 40266869 HCAPGPVDDIRTAR-UHFFFAOYSA-N 332.447 4.123 0 40 EIAB Cc1cc([C@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)on1 47273771 MFVHMHBQIHKHHM-MRXNPFEDSA-N 327.359 4.114 0 40 EIAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(OCC)c1 62715414 OSVCVDNPZMMIEE-ACCUITESSA-N 326.392 4.241 0 40 EIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2[nH]ncc2c1 65566536 HCYFCBSZTPBXIN-UHFFFAOYSA-N 340.433 4.309 0 40 EIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccn2)no1 69515471 MBNKGLQSNXDBJS-CYBMUJFWSA-N 334.379 4.071 0 40 EIAB Cc1oc(-c2ccccc2)nc1COc1ccc(-c2nnco2)cc1 69561993 QJKUGYFQQAYPHN-UHFFFAOYSA-N 333.347 4.279 0 40 EIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2ccc(O)cc2)S1 71285305 RDFYHARMKXIUQK-OAHLLOKOSA-N 329.425 4.296 0 40 EIAB Cc1noc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)n1 79018161 HMVLZIINEJXVLR-QGZVFWFLSA-N 331.778 4.050 0 40 EIAB CCc1noc(CC)c1CNCc1cc(Cl)cc2cccnc12 89280201 VNYRNLBXALEVJA-UHFFFAOYSA-N 329.831 4.291 0 40 EIAB CCC(=O)N1CC[C@H](NCc2csc3ccccc23)[C@@H](CC)C1 89949172 OPTASWMFBKSHDM-YOEHRIQHSA-N 330.497 4.028 0 40 EIAB CCc1nc(C)c([C@@H](C)N(C)Cc2ccccc2NC(C)=O)s1 93612624 MGJPCWCMOKPZBT-CYBMUJFWSA-N 331.485 4.165 0 40 EIAB Clc1cccc(-c2nc(Cn3ccnc3-c3ccncc3)co2)c1 95464708 MGSYYGAYANEYFZ-UHFFFAOYSA-N 336.782 4.302 0 40 EIAB CC(C)n1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 95474155 ZGHNSOBBCSFJPA-OAQYLSRUSA-N 348.446 4.436 0 40 EIAB O=[S@](Cc1csc([C@@H]2CCCO2)n1)c1ccc(F)c(Cl)c1 95976104 PQUPACGJBGTNDK-ZSEKCTLFSA-N 345.848 4.095 0 40 EIAB CC1=C(C(=O)OC2CCCCC2)[C@@H]2C[C@@](C)(N1)Oc1ccccc12 102472382 YUVXZYVLQAHIBD-UZLBHIALSA-N 327.424 4.022 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(OC(C)C)c1 113959861 MFJPVWDSVHABCD-HXUWFJFHSA-N 341.451 4.256 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C)cc2)cc1 222761467 GFFMJYQPOUNQBU-FQEVSTJZSA-N 341.451 4.286 0 40 EIAB Cc1cccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 223429854 WBOHYWBXXLMKNT-LTGZKZEYSA-N 347.414 4.324 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C 224813993 XCLIWLPFDBWVGL-QGZVFWFLSA-N 337.463 4.438 0 40 EIAB Cc1ccc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1C 225066542 VZOUVAQLYHLJDG-INIZCTEOSA-N 349.224 4.141 0 40 EIAB CCCOc1ccccc1CCCNC(=S)Nc1cc(C)ccn1 225626624 QNSZZKUQWGVKSO-UHFFFAOYSA-N 343.496 4.098 0 40 EIAB Nc1cccc(Cl)c1NC(=O)COc1ccc(Cl)cc1Cl 226359197 WLZQEAMHDWETOU-UHFFFAOYSA-N 345.613 4.247 0 40 EIAB Cc1ccc(CCCN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 1643056435 DROLLXKCLBOZJO-XPWALMASSA-N 335.491 4.432 0 40 EIAB COc1ccccc1/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1 149703 RGWPMAJYQNHVRQ-NTEUORMPSA-N 336.435 4.337 0 40 EIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(Cl)cc1 193059 XSMFGRHRCYHUQR-UHFFFAOYSA-N 329.812 4.035 0 40 EIAB COc1cccc(OCCn2c(C(F)(F)F)nc3ccccc32)c1 197014 KSZPJABLLGVQCI-UHFFFAOYSA-N 336.313 4.143 0 40 EIAB COc1cccc(NC(=O)CSc2cc(C)c3ccccc3n2)c1 210983 JEUPCPAEFKWYDP-UHFFFAOYSA-N 338.432 4.283 0 40 EIAB CCc1cc2cccc(C)c2nc1SCC(=O)NCc1ccco1 412556 FQIUXPMTPDZPLB-UHFFFAOYSA-N 340.448 4.107 0 40 EIAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCO4)cc3)sc2c1 804576 WMAJULIUSGDHNE-INIZCTEOSA-N 338.432 4.389 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccco3)c2)cc1 816348 CYPZWBGRMIWEBC-HNNXBMFYSA-N 349.386 4.491 0 40 EIAB O=C(/C=C/c1cccs1)Nc1nc(COc2ccccc2)cs1 1467794 ZCIUNQORMRLXNB-CMDGGOBGSA-N 342.445 4.436 0 40 EIAB CC(C)CCCCCCOc1ccc([C@@]2(C)N=C(O)N(C)C2=O)cc1 2105834 AEDXTQTXHLFXGF-HXUWFJFHSA-N 346.471 4.273 0 40 EIAB biogenic Cc1cc(C)c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)c1 2635314 JWTKAVGMNCBXLP-MRXNPFEDSA-N 340.448 4.053 0 40 EIAB O=C(c1ccccc1)N1CCN=C1SCc1ccccc1Cl 4120252 YUEMQMCRHDXOMU-UHFFFAOYSA-N 330.840 4.085 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2C(F)(F)F)c1 6235819 KIRWGNNJQDDGLZ-UHFFFAOYSA-N 337.297 4.053 0 40 EIAB CC(C)/N=C1\S/C(=C/c2cn(C)c3ccccc23)C(=O)N1C(C)C 6325081 YBPGUTQJBZJLJL-MVLGTPAKSA-N 341.480 4.267 0 40 EIAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(N)cc3)c2)cc1 7468256 RSRVMOWGKBCKAA-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccccn3)ccc2c1 8025290 KBJNKRHRVKXZKK-LSDHHAIUSA-N 334.419 4.224 0 40 EIAB CCc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccccc1 8080562 BAWPMDGVOLXNIF-VZCXRCSSSA-N 340.423 4.196 0 40 EIAB O=c1[nH]nc(Cc2ccc(-c3ccccc3Cl)o2)c2ccccc12 8649097 BGGXKJVLSGUKJU-UHFFFAOYSA-N 336.778 4.427 0 40 EIAB O=C(NCCC1=CCCCC1)c1c[nH]c(=S)n1-c1ccc(F)cc1 12533486 XAAOXAAJWNJMSC-UHFFFAOYSA-N 345.443 4.294 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccnn3C3CCCC3)c(C)c2c1 12789662 LTLJTLMTFOWIKM-UHFFFAOYSA-N 339.395 4.314 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1Cl 12820926 GEAVUFIRXOYQRL-UHFFFAOYSA-N 326.783 4.485 0 40 EIAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C 14256064 GMUJUQOUKFIJQA-UHFFFAOYSA-N 329.343 4.123 0 40 EIAB COc1ccc(NC(=O)[C@H](C)SCCCc2ccccc2)cc1 15492055 UMWGWTVSAADBNZ-HNNXBMFYSA-N 329.465 4.388 0 40 EIAB O=C(NCCc1ccc(F)cc1)c1ccccc1OCc1ccccc1 16640281 JVCGHXNBKJUVBY-UHFFFAOYSA-N 349.405 4.377 0 40 EIAB CCOC(=O)COc1ccc(/C=C\c2ccnc3ccccc23)cc1 17024277 VOKHEDMEPIPNJB-YFHOEESVSA-N 333.387 4.347 0 40 EIAB O=C(c1ccco1)N(C(=O)c1ccco1)c1ccc(Cl)cc1F 17068710 KWJSTHADNNPKNA-UHFFFAOYSA-N 333.702 4.152 0 40 EIAB CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1C(=O)OC 17154548 VSDABMGPIZITIG-UHFFFAOYSA-N 349.386 4.277 0 40 EIAB CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(N)c2C)cc1 19736747 DRLFDCRWQWYTTB-UHFFFAOYSA-N 326.440 4.282 0 40 EIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 22508625 ACYKYMFDYPFNRU-GJZGRUSLSA-N 329.465 4.443 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 22517370 CRTOONVBZUAXSU-UHFFFAOYSA-N 348.280 4.147 0 40 EIAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1C 22558500 USRBKHVSYQMXMA-UHFFFAOYSA-N 327.815 4.199 0 40 EIAB CCN1CCCc2cc(CCNC(=O)c3ccc(Cl)cc3)ccc21 22732576 OIOLJQPNLDZHGG-UHFFFAOYSA-N 342.870 4.085 0 40 EIAB Cc1cccc(-c2nc3cc(NC(=O)c4ccccn4)ccc3o2)c1 30822850 SGKHIKFUKZGYTG-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C 31073687 NUCDAUJKXVEABC-SJORKVTESA-N 342.483 4.392 0 40 EIAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 31097332 KOQUYSZSCHNJOK-INIZCTEOSA-N 335.448 4.092 0 40 EIAB O=C(CCc1ccccc1)NCc1ccnc(Oc2ccccc2)c1 32930533 XMMJLZJQQWGVRG-UHFFFAOYSA-N 332.403 4.123 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3cnc4ccccc4c3)on2)cc1 33164449 DXXVPFVSRXNLFF-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 40097823 UVLSKGKTVCECBE-UHFFFAOYSA-N 349.356 4.060 0 40 EIAB CCCCCOc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 43209784 VMXPJZZJCDKLGE-UHFFFAOYSA-N 326.392 4.412 0 40 EIAB Cc1sc2nc(S[C@H](C)c3nc(C(C)C)no3)nc(N)c2c1C 43735033 OBBQNJIFDWDRHH-SECBINFHSA-N 349.485 4.250 0 40 EIAB Clc1cccc(CN2CC(c3nc(-c4cccs4)no3)C2)c1 49484697 DSEVFHZUTWAFLR-UHFFFAOYSA-N 331.828 4.051 0 40 EIAB C[C@@H](c1ccccn1)N(C(=O)c1ccc(Cn2cccc2)cc1)C1CC1 69374779 MUTCGHARHTZWCJ-KRWDZBQOSA-N 345.446 4.297 0 40 EIAB Clc1cc2c(cc1SCc1nnc(C3CCC3)o1)OCCO2 69894659 JKDLABFTHDIEBV-UHFFFAOYSA-N 338.816 4.054 0 40 EIAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cccs1 71326702 QOWLBYYMYCVRMU-UHFFFAOYSA-N 335.498 4.188 0 40 EIAB COc1cccc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)c1 71847862 LMACGEPLGQQIOT-QGZVFWFLSA-N 344.480 4.181 0 40 EIAB COc1ccccc1Oc1ccc(N[C@H](C)c2nnc(C)o2)cc1F 71902589 QEPXAKZACJLSTN-LLVKDONJSA-N 343.358 4.491 0 40 EIAB CC(C)(C)c1noc(CCC(=O)N2CCCCC[C@@H]2c2ccco2)n1 71914828 BACXHQGSIWKYIJ-CQSZACIVSA-N 345.443 4.037 0 40 EIAB Cc1cc(N)nc(S[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 72031451 ORVCBIJUSJIJAJ-SECBINFHSA-N 329.347 4.119 0 40 EIAB Fc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCCN2)c1 72202944 SCODIQXEPJBJLM-HXUWFJFHSA-N 330.422 4.109 0 40 EIAB CCOc1c(Cl)cccc1NC(=O)N(C)Cc1nc(C)cs1 72288020 WZNMFNDSFPJDIC-UHFFFAOYSA-N 339.848 4.168 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3ccn4cncc4c3)n2)cc1C 89643325 UECXHEDKPUKBEZ-UHFFFAOYSA-N 348.431 4.327 0 40 EIAB COCc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1F 95422709 CMUMKEJVHOUKNZ-HNNXBMFYSA-N 339.414 4.009 0 40 EIAB COc1ccccc1N1CC[C@H](CNc2ncc(C(C)C)s2)C1 95467705 NQZFUGPMUCWONS-CQSZACIVSA-N 331.485 4.214 0 40 EIAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@@H](C(F)(F)F)SC1 95474900 ICACAHUTULPWGZ-NSHDSACASA-N 347.749 4.464 0 40 EIAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccnc1)n2C 96037342 NMEAEZCQOKAGDO-UHFFFAOYSA-N 332.407 4.361 0 40 EIAB CC[C@@H](c1ccncc1)N(C)C(=O)NCc1cccc(OC(C)C)c1 96415245 KTNVSPPOVJQUFW-IBGZPJMESA-N 341.455 4.162 0 40 EIAB COCc1nc(COc2c(C(C)=O)ccc(Cl)c2Cl)cs1 96428874 WOBWGHANFREPKO-UHFFFAOYSA-N 346.235 4.378 0 40 EIAB C[C@H](NC(=O)CCCC(=O)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 109035257 HZPRINBWEYSSMZ-DNUAJFIVSA-N 331.431 4.120 0 40 EIAB CCc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1OC 223678532 RZZUKLUVHYAWPK-UHFFFAOYSA-N 341.432 4.212 0 40 EIAB O=C(OCc1c(F)cccc1Cl)c1snnc1-c1ccccc1 223834310 XZOGUAYGDXQACN-UHFFFAOYSA-N 348.786 4.355 0 40 EIAB CCCOCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 224412029 XFDSIPQHEKDUSS-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccc(C)c(C)c1 224617352 NOYZFTXGXIGNSH-UHFFFAOYSA-N 341.451 4.419 0 40 EIAB CCc1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1 224757345 DXUBMYQJMHYYKY-UHFFFAOYSA-N 336.204 4.332 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC(C)(C)Cc1ccccc1 224949465 NXJDEUTYTNMWQR-LJQANCHMSA-N 325.452 4.290 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cc(C)ccn2)cc1 225501835 ZNYYKNIRJLLTGM-KRWDZBQOSA-N 343.496 4.472 0 40 EIAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 225710411 RAFQXJPJPKSUPT-INIZCTEOSA-N 342.464 4.470 0 40 EIAB CCc1ccc(CC)c(CNC(=O)COc2ccccc2Cl)c1 225736973 VLGKHZHECYBCSO-UHFFFAOYSA-N 331.843 4.160 0 40 EIAB CCN(CC)c1ccc2c(O)c(-c3ccccc3)c(=O)n(CC)c2c1 255189676 RJJCXYAWIDOWSO-UHFFFAOYSA-N 336.435 4.240 0 40 EIAB C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CSC(C)(C)C 390828440 BAUWNJWYPOYBCB-JKSUJKDBSA-N 335.513 4.367 0 40 EIAB O=C1Nc2ccccc2S/C1=C\c1ccc(N2CCCCC2)o1 409101405 XNWGQPHSCJBBLK-VBKFSLOCSA-N 326.421 4.355 0 40 EIAB O=C(C[C@@H]1C[C@H]1c1ccccc1)NC1(c2nccs2)CCCC1 606442254 IMQBJSWZQKDFEM-HOTGVXAUSA-N 326.465 4.222 0 40 EIAB Brc1cnc(NCc2cc(-c3ccco3)cs2)nc1 1775969594 BVLWMDCMGYFKJQ-UHFFFAOYSA-N 336.214 4.173 0 40 EIAB Cc1cc(OC[C@@H]2CCCN(Cc3csc(C4CC4)n3)C2)ccn1 1776001035 WBGFBGZOGKOYOD-OAHLLOKOSA-N 343.496 4.015 0 40 EIAB COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1Cl 364959 RMMOQXIPNVEPDR-GFCCVEGCSA-N 349.814 4.072 0 40 EIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 505679 ZXAPCANXEJNCSV-CQSZACIVSA-N 340.423 4.176 0 40 EIAB Cc1ccc([C@@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 524812 SCPISPPQCXWGRP-YADARESESA-N 347.395 4.081 0 40 EIAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1cccs1 987916 VHRLPRNPDXEMLL-UHFFFAOYSA-N 330.796 4.021 0 40 EIAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@@H]4[C@H]3CC[C@]21C 1685141 NTTYSUJKAQHXOA-FVVRXXICSA-N 332.871 4.059 0 40 EIAB O=C(Nc1c(Cl)cccc1Cl)c1cc2ccccc2oc1=O 2766860 IWLSMKWMBMVKMH-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB CCOC(=O)c1sc(NC(=O)c2nc3ccccc3s2)cc1C 4194695 IWXADDOVHIXMRH-UHFFFAOYSA-N 346.433 4.095 0 40 EIAB COc1cc(C=O)cc(Br)c1OCc1cccc(C)c1 4342721 MCRZEGYDSTZPBA-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB Cc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c2c1 5818410 ROEHFVGLNXWUFW-UHFFFAOYSA-N 325.437 4.219 0 40 EIAB Cc1ccc(CSCCNC(=S)NCc2ccc(F)cc2)cc1 7378908 KCYSGIRTRMAPDJ-UHFFFAOYSA-N 348.512 4.032 0 40 EIAB CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1C1CC1 7618649 PHYMCHKHDZJQJE-LBPRGKRZSA-N 341.480 4.028 0 40 EIAB C[C@@H](NC(=S)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 7981202 DLVFVHNKEMSGIL-DNVCBOLYSA-N 340.492 4.058 0 40 EIAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 8735802 RKBHKCZCGQVVDJ-ZIAGYGMSSA-N 335.831 4.070 0 40 EIAB Cc1cc(S[C@H](C)C(=O)Nc2ccccc2F)nc(C(C)C)n1 8878716 QMQXBONFMIVOGQ-GFCCVEGCSA-N 333.432 4.167 0 40 EIAB Cc1c(C(=O)Nc2onc3c2C[C@@H](C)CC3)oc2ccc(F)cc12 9134427 BSEVOOVBUXZKRW-VIFPVBQESA-N 328.343 4.245 0 40 EIAB Cc1ccc(/N=c2\scc(-c3cccs3)n2CCO)cc1C 9317479 APYYAAQCQWZLJD-ZCXUNETKSA-N 330.478 4.120 0 40 EIAB COc1ccc(-c2csc(NC(=O)CC3CCCC3)n2)cc1OC 9377733 BNNAMSLZKFSJOS-UHFFFAOYSA-N 346.452 4.346 0 40 EIAB COc1ccccc1-c1nn(CNc2ccc(C)cc2)c(=S)o1 9554195 OYLOQVOELNBTGH-UHFFFAOYSA-N 327.409 4.259 0 40 EIAB Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)on1 9873439 WBIYOYPLOGWDCL-UHFFFAOYSA-N 325.349 4.105 0 40 EIAB CCSc1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1 11694670 JGKNQOCJJQONCQ-UHFFFAOYSA-N 345.449 4.086 0 40 EIAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCc2ccccc2C1 12391669 OFGTYYROOWJJJE-SFHVURJKSA-N 340.810 4.005 0 40 EIAB O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)C1CC1 12525712 KUHVDAQEVGQZDL-UHFFFAOYSA-N 349.312 4.045 0 40 EIAB O=c1c2ccccc2nc(-c2ccccc2)n1CCOc1ccccc1 12997359 OQUJUDHPDOVBPW-UHFFFAOYSA-N 342.398 4.143 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3)ccc21 13011078 SCBAHKPAIYPJSH-UHFFFAOYSA-N 340.398 4.157 0 40 EIAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12)OCCO3 13399729 QGISYVREUUQQKE-TUIIKVOISA-N 332.484 4.341 0 40 EIAB biogenic Cc1csc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 13686194 LAIAFWAMUSIFIJ-UHFFFAOYSA-N 333.413 4.275 0 40 EIAB CCc1cccc(CC)c1NC(=O)CCc1ccc(OC)c(OC)c1 15960635 XVLRXAAVVVPMTM-UHFFFAOYSA-N 341.451 4.400 0 40 EIAB Cc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1 16838178 POERLQISSLUZHS-VAWYXSNFSA-N 330.391 4.141 0 40 EIAB CCOC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 20031699 GMSSFGXNYQLZFH-UHFFFAOYSA-N 341.794 4.309 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)O)cc1 20452036 QHRWZIPSXQKPAD-IBGZPJMESA-N 349.386 4.334 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1 20488012 VWYSMFNTNQHNPW-UHFFFAOYSA-N 337.872 4.086 0 40 EIAB O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)on1 20896613 JKFMPALHBBMDAH-UHFFFAOYSA-N 344.164 4.323 0 40 EIAB C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccccc1 21540796 SREPGZYHVOGORT-GFCCVEGCSA-N 325.799 4.221 0 40 EIAB Cc1ccc(NC(=O)[C@@H](C)Sc2ncnc3ccsc23)cc1F 22005540 PNXGGNNATLREMU-SNVBAGLBSA-N 347.440 4.258 0 40 EIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccco1 24503733 ZUQFYKYLCCKXRF-OAHLLOKOSA-N 348.402 4.365 0 40 EIAB Cc1nn(-c2ccc(C(=O)NCc3cccs3)cc2)c(C)c1Cl 24580365 PTJRBFRKMLRWFN-UHFFFAOYSA-N 345.855 4.134 0 40 EIAB Cc1cccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 31663172 FDXOGEFVEPLYNN-UHFFFAOYSA-N 339.370 4.146 0 40 EIAB Cc1ccc(F)c(NC(=O)c2ccccc2OCc2ccncc2)c1 32450245 WAVQIFHHYBUTGU-UHFFFAOYSA-N 336.366 4.360 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(Cl)cc2)[C@H](c2cccc(O)c2)C1 36366152 GUQGBMAMCZHNQA-HNNXBMFYSA-N 339.782 4.355 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 38772860 YPALDAPDPSZYGR-WOJBJXKFSA-N 341.451 4.429 0 40 EIAB CCC[C@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 40090350 IANUFAUTXFFNAQ-AWEZNQCLSA-N 328.412 4.044 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(Cl)cc1Cl 41095270 FAGAWXMXNXBFOW-RNCFNFMXSA-N 336.284 4.159 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 41774529 JXLRGBVWLHENML-QGZVFWFLSA-N 337.463 4.175 0 40 EIAB CC(C)(C)OC(=O)NCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 43179044 GCZOQCJTFXCCPU-UHFFFAOYSA-N 331.416 4.059 0 40 EIAB Cc1csc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 48342138 OTFXJRRFQILWHE-ABAIWWIYSA-N 345.468 4.042 0 40 EIAB Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 55895921 RLNRLXZQUPGDEN-CRAIPNDOSA-N 336.435 4.175 0 40 EIAB Cc1sc2ncnc(OCC(=O)c3ccc(Cl)s3)c2c1C 58127711 CGOWCLSNLRHXMD-UHFFFAOYSA-N 338.841 4.285 0 40 EIAB CN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 58392493 NXJIYXVPLHAGFP-UHFFFAOYSA-N 340.473 4.242 0 40 EIAB CC(C)OCc1c(C(=O)Nc2cccc(CO)c2)oc2ccccc12 70748720 QEKLFNSMQSKWNM-UHFFFAOYSA-N 339.391 4.102 0 40 EIAB CSc1ccsc1C(=O)NCc1nc2ccccc2n1C(C)C 72288879 BBDLBDYIVZHFBQ-UHFFFAOYSA-N 345.493 4.331 0 40 EIAB c1ccc(Cc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)cc1 72357673 QDLYONYREWTKRX-QFIPXVFZSA-N 329.447 4.405 0 40 EIAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C[C@H]1CCCO1)C1CCCC1 74055424 AEPPXVFSKPTYSI-CQSZACIVSA-N 346.452 4.054 0 40 EIAB CNc1nc(CNc2nc(C)nc3scc(CC(C)C)c23)cs1 75148741 MLQJRRGSXUMFPA-UHFFFAOYSA-N 347.513 4.309 0 40 EIAB Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CCOc2ccccc21 95431755 XVLRPJMLOASMTM-HNNXBMFYSA-N 325.408 4.329 0 40 EIAB COCc1cccc(CNC(=O)/C=C(\C)c2cccc(Cl)c2)c1 96055593 XNWBEWIHVCDVHL-NTEUORMPSA-N 329.827 4.206 0 40 EIAB C[C@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@@](C)=O)cc1 97045852 HQURKUYIAIBROK-WNSKOXEYSA-N 328.481 4.197 0 40 EIAB Cc1cc(C)c2s/c(=N/C(=O)CSc3ccccc3)n(C)c2c1 101037833 OMUHILCBNQBLLX-VHEBQXMUSA-N 342.489 4.076 0 40 EIAB COC(=O)N[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918753 CEZKLEHYJURHTB-GDYGHMJCSA-N 349.515 4.115 0 40 EIAB C[C@H]1Cc2c(Br)c3c(c(Br)c2C1=O)CCC3 165460561 CAYJMWJFJUXZDR-LURJTMIESA-N 344.046 4.075 0 40 EIAB CSCc1ccccc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)C 184746353 ZAVGSYCWDZQNPL-RHSMWYFYSA-N 336.501 4.122 0 40 EIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223217725 ZCPOTPLXBNXUCN-KGLIPLIRSA-N 343.854 4.473 0 40 EIAB COc1cccc(NC(=O)NCCCc2ccc(OC(C)C)cc2)c1 225762934 VKGTZIRTYGIKPV-UHFFFAOYSA-N 342.439 4.237 0 40 EIAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(C)c(C)c2)c1 225765516 VLBCFSXOZYIJDL-UHFFFAOYSA-N 339.420 4.083 0 40 EIAB CCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c2ncccc12)C1CC1 225902791 ZKAJPTRRAFCTNQ-FQEVSTJZSA-N 342.439 4.166 0 40 EIAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)c(C)c1 226284842 MHSLXZDHFCXFGX-UHFFFAOYSA-N 328.378 4.147 0 40 EIAB Cc1nc2ccccc2n1Cc1ncc(-c2ccccc2C(=O)O)s1 257316947 VHRJQFCDTLYSCZ-UHFFFAOYSA-N 349.415 4.215 0 40 EIAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c1 408546087 QNEPAYLUVMENLO-AWEZNQCLSA-N 330.387 4.136 0 40 EIAB CCN(CC)C(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408723183 ZZXBJYRSQZVWOU-UHFFFAOYSA-N 331.419 4.293 0 40 EIAB COc1ccccc1-c1ccc([C@H](C)NCCCNC(C)C)cc1 572749270 PXPHSAIFTAOLRW-KRWDZBQOSA-N 326.484 4.401 0 40 EIAB Cc1nc(SCc2cc3c(cc2Cl)OCO3)nc2c1CCCC2 1554502483 CUMLQCNMUIGRBY-UHFFFAOYSA-N 348.855 4.338 0 40 EIAB O=C(Cc1cccc(Cl)c1)Nc1ccc(-c2ccccc2F)nn1 1618827903 XFOYYZZWUISCHE-UHFFFAOYSA-N 341.773 4.117 0 40 EIAB Clc1ccc2oc(N3CCC[C@@H](COc4ccncc4)C3)nc2c1 2070389247 JCIOHWMJRROFPA-CYBMUJFWSA-N 343.814 4.172 0 40 EIAB CN(C)CC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 148603 CGCPHTXCNKUKRK-HEHNFIMWSA-N 326.827 4.216 0 40 EIAB CCOc1ccc(-c2nnc(N(C)C(=O)C3CCCCC3)s2)cc1 1345533 SNGWXEYBLGPCHU-UHFFFAOYSA-N 345.468 4.147 0 40 EIAB Cc1cc(C)cc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 1369457 LUIMAEXUVBRBSM-PMACEKPBSA-N 343.515 4.466 0 40 EIAB FC(F)(F)c1cccc(CSc2ccc3nnc(Cl)n3n2)c1 1395686 XJVRNMDIBMURDE-UHFFFAOYSA-N 344.749 4.089 0 40 EIAB CC(C)CC[C@@H](CCNC[C@H]1CCCO1)c1ccc2c(c1)OCO2 2332743 YESDLGNBFIQNOS-FUHWJXTLSA-N 333.472 4.094 0 40 EIAB CCO/C=C1/C(=O)N(c2ccc(F)cc2Cl)C(=O)c2ccccc21 2353986 HSNLEJOJQRZMJP-GXDHUFHOSA-N 345.757 4.044 0 40 EIAB CCOC(=O)c1ccccc1C(=O)CCc1cc(F)cc(Cl)c1 2517741 LYGLYSVDDJOXEE-UHFFFAOYSA-N 334.774 4.471 0 40 EIAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 2659018 KGOCHAUTCBKGRZ-UHFFFAOYSA-N 337.297 4.053 0 40 EIAB Fc1cccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)c1 2698644 IEBQPOORJSVUHP-UHFFFAOYSA-N 347.397 4.438 0 40 EIAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 3904582 XVOWXCZBOOULSU-FTUNRGFVSA-N 333.387 4.014 0 40 EIAB Fc1ccc(-c2ccc3nnc(SCc4ccccc4)n3n2)cc1 5168011 JNTXGXXKSWEWOJ-UHFFFAOYSA-N 336.395 4.223 0 40 EIAB Cc1cc(-n2ccnc2C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5206835 MDLTVZSSMKODHL-UHFFFAOYSA-N 337.814 4.161 0 40 EIAB C[C@@H]1C[C@H]1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5693433 NODMWGQCDYQKDU-CZUORRHYSA-N 333.387 4.217 0 40 EIAB O=C(CSC1=Nc2ccccc2CS1)N1CCc2ccccc21 6588116 QWMYYGVSQNHABX-UHFFFAOYSA-N 340.473 4.243 0 40 EIAB C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc2ccccc2c1 7108320 CPXHCZDUOLUZTF-AWEZNQCLSA-N 325.408 4.290 0 40 EIAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 7402842 NFUDAQBEHQASOQ-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NCC1(N(C)C)CCCCC1 7662523 MHLHWUWQMDQPRU-UHFFFAOYSA-N 339.936 4.199 0 40 EIAB COc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1 8061226 XQMGCWHEOSQRLU-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1Cl 8320427 WMWMZPBZIDEEOJ-CQSZACIVSA-N 338.835 4.316 0 40 EIAB O=C(Nc1cccc(Cl)c1)Nc1nnc(Cc2ccccc2)s1 8742836 XBGUOJJCPZDUSD-UHFFFAOYSA-N 344.827 4.426 0 40 EIAB OCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1 12374724 LXQLWDKNIWGILO-UZYVYHOESA-N 346.402 4.110 0 40 EIAB CCOc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1 12989352 VXSBNFSISICIRR-ZDUSSCGKSA-N 341.407 4.060 0 40 EIAB CC(C)CC[C@@]1(CCNCCCN(C)C)CCO[C@@H](C(C)C)C1 13550168 QUDBQDYIZVMSGS-WOJBJXKFSA-N 326.569 4.175 0 40 EIAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1NCc1ccco1 13943811 DKJYZTVZGIUPOS-YWZLYKJASA-N 336.435 4.169 0 40 EIAB CC[C@@H]1c2ccsc2CCN1Cc1cc2c(cc1OC)OCCO2 14000105 TUFSCPJVFPQAKL-OAHLLOKOSA-N 345.464 4.037 0 40 EIAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 15796757 FBEYZLISAGQMKT-BBRMVZONSA-N 340.423 4.149 0 40 EIAB Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 19736272 CKDIHMOZPHBACK-JTQLQIEISA-N 339.222 4.290 0 40 EIAB S=C1N(c2ccccc2)CN(Cc2ccco2)CN1c1ccccc1 19920826 OKAWZBHYAPRPCV-UHFFFAOYSA-N 349.459 4.308 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 22748725 GPBDZIOJQCUSTQ-GFCCVEGCSA-N 346.500 4.345 0 40 EIAB CC(C)c1ccc(OCC(=O)OCc2cc(-c3ccco3)on2)cc1 22768975 XLDZSQPUFHHKNL-UHFFFAOYSA-N 341.363 4.180 0 40 EIAB COc1ccc2cc([C@H](C)C(=O)n3cccc/c3=N\C(C)C)ccc2c1 23197943 WLSSPABVYRRFOD-CQLPTELBSA-N 348.446 4.403 0 40 EIAB Cc1cccc2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)oc12 27995176 OREHMLORXNDPJC-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB Cc1ccc(Cn2nccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 28291481 OULQZTDRGFOOKJ-UHFFFAOYSA-N 349.478 4.395 0 40 EIAB COc1ccc(CC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 29024589 MMKRIPFJFGWMIC-UHFFFAOYSA-N 325.408 4.198 0 40 EIAB CC(C)[C@H](NCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccccc1 29189515 IURNGNITQVFCSJ-SFHVURJKSA-N 347.418 4.156 0 40 EIAB CN(CN1C(=O)c2cccc3cccc1c23)[C@@H]1CCc2ccccc21 29309438 WXPZISIPWVLLEA-LJQANCHMSA-N 328.415 4.377 0 40 EIAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(-c2ccccc2)s1 30058221 AOMYSXBXYZHXPJ-SFQUDFHCSA-N 331.396 4.226 0 40 EIAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCc2ccccc21 31532468 JYFMWLXQXOGUJZ-UHFFFAOYSA-N 333.391 4.238 0 40 EIAB CC(=O)c1cnc2sc(C(=O)Nc3cccc(F)c3)c(C)c2c1 31652135 NPCNNMFPIDODIJ-UHFFFAOYSA-N 328.368 4.199 0 40 EIAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1 31966350 WEIBBRJOEFWEBF-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB CN(Cc1ccsc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 32741274 DVELHHBQMUKEDQ-UHFFFAOYSA-N 335.428 4.251 0 40 EIAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc(C)ccc2OC)c1 32751517 KLAZYOKTYBJMDQ-LJQANCHMSA-N 341.451 4.358 0 40 EIAB CC[C@H](NC(=O)c1cccc2c1O[C@H](C)[C@H]2C)c1ccc(OC)cc1 32820325 PLQXICAWNYECQA-LPMFXHHGSA-N 339.435 4.461 0 40 EIAB Cc1cccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1C 32911571 NLSITZJMCUTZPO-UHFFFAOYSA-N 347.462 4.160 0 40 EIAB C[C@H](c1nc(-c2cccs2)no1)N(C)Cc1ccc(F)cc1F 40071634 LAVMHWZEIAHZMP-SNVBAGLBSA-N 335.379 4.269 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@@H](c2ccc(F)cc2F)C1 40267293 GPYZFJCABZGWGO-CQSZACIVSA-N 343.308 4.413 0 40 EIAB CC(=O)c1cn(CCC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc12 40310264 HAEAPJGFDJLHAM-UHFFFAOYSA-N 345.402 4.354 0 40 EIAB biogenic CCCCN1C(=O)c2c(oc3ccccc3c2=O)[C@H]1c1ccc(C)cc1 41105010 MTAUVHIFZBGTDC-LJQANCHMSA-N 347.414 4.447 0 40 EIAB COc1ccc2nc(C)c(C(=O)Nc3c(F)cccc3F)cc2c1 54189064 WSJIUWFURJNIIA-UHFFFAOYSA-N 328.318 4.082 0 40 EIAB COc1ccc(C(=O)c2ccc(N)cc2)cc1-c1ccc(F)c(F)c1 66088928 QLOBPAPLDHVLFI-UHFFFAOYSA-N 339.341 4.454 0 40 EIAB Cc1csc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)cc2C)n1 69652752 KIZYRPKVODMGQC-CYBMUJFWSA-N 333.457 4.430 0 40 EIAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 69849530 PMVKSOOGBZXNIM-OAHLLOKOSA-N 343.427 4.023 0 40 EIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1c[nH]nc1-c1ccc(F)cc1 71280164 UYZPBHLWXFBGKP-CYBMUJFWSA-N 339.374 4.117 0 40 EIAB NC(=O)c1ccccc1NC(=O)/C=C/c1cccc(-c2ccccc2)c1 71898552 ZJUPGTPFUXTZHQ-BUHFOSPRSA-N 342.398 4.104 0 40 EIAB CC(C)NC(=O)Cc1ccc(NCc2cc(-c3ccccc3)no2)cc1 79311337 PVSMARLYBVHFIW-UHFFFAOYSA-N 349.434 4.021 0 40 EIAB Cc1cnn(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 84265207 UAGLBGWUQLGLOT-UHFFFAOYSA-N 346.390 4.029 0 40 EIAB Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2s1 84290384 WCUGPPCVOCIWTJ-AWEZNQCLSA-N 341.440 4.087 0 40 EIAB CC(C)n1cc([C@@H](C)NCc2ccnc(N3CCCCCC3)c2)cn1 95422138 VGQPEVSFNNUVKV-QGZVFWFLSA-N 341.503 4.090 0 40 EIAB COC[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 95968160 CZPSIDRYUDOPTP-ZBEGNZNMSA-N 342.336 4.278 0 40 EIAB O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1 96003918 YGIUAPIWZPYFTJ-CVEARBPZSA-N 348.284 4.345 0 40 EIAB CC[C@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1 96097049 AFAQTQXKMTVJIJ-KRWDZBQOSA-N 335.407 4.101 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 96417641 JIVJLGKELBEYTC-ZIAGYGMSSA-N 339.395 4.364 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(Br)cc1 96761793 JVRUQNBZZNWZOJ-UHFFFAOYSA-N 332.241 4.200 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC(c2nc3ccccc3s2)CC1 102871445 RRGUJVBOCOBIBV-CWRNSKLLSA-N 338.476 4.215 0 40 EIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSc1ccccc1 216280369 MXZUGQFSDSFKJI-IBGZPJMESA-N 343.492 4.369 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(N2CCC[C@H](C)C2)c(C)cc1N 216866364 GSLFHVCRYNTKFN-AWEZNQCLSA-N 337.467 4.374 0 40 EIAB CCSc1ccccc1C(=O)NCCCc1ccccc1OC 219645997 OWVZZISGKLTESS-UHFFFAOYSA-N 329.465 4.170 0 40 EIAB O=C(COc1cccc2cccnc12)Nc1cccc2ccccc12 222049640 SIWQIBLOCWDLPG-UHFFFAOYSA-N 328.371 4.406 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c[nH]c3ccccc23)S1 222585977 WAAYIKXBXNEMJD-PJSAGSTRSA-N 334.448 4.152 0 40 EIAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223657808 XWPGSDXUJKIYTA-UHFFFAOYSA-N 345.464 4.153 0 40 EIAB CCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1OCC 225064276 HZSAOSBIAVOYCU-UHFFFAOYSA-N 341.451 4.155 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@H]3CCC[C@H](C)C3)no2)C1 390833115 CFKJAJQYJDHQNB-VGWMRTNUSA-N 333.476 4.115 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 408767263 YSAYKMZVSDFZRH-ZRNYENFQSA-N 341.410 4.055 0 40 EIAB FC(F)(F)c1ccc([C@@H]2OCCC[C@H]2CSc2nc[nH]n2)cc1 569020859 IVZFMFNVRWDBAH-AAEUAGOBSA-N 343.374 4.084 0 40 EIAB O=C([C@@H]1CCOc2ccc(Cl)cc21)N1Cc2cccc(Cl)c2C1 585083461 UOPDLDJQZSBMIS-CYBMUJFWSA-N 348.229 4.402 0 40 EIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)cc1 145319 OXJJFCLEJVLUOV-IZZDOVSWSA-N 331.799 4.399 0 40 EIAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 197803 UZLWFACKCHZBLG-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1 352158 RKKVLEJJGADCFC-UHFFFAOYSA-N 341.465 4.195 0 40 EIAB O=S(=O)(Nc1nc2ccccc2s1)c1ccc2ccccc2c1 383468 ROBQXRWSRKYODI-UHFFFAOYSA-N 340.429 4.250 0 40 EIAB CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)C 410498 PZNALBZZTLFQBN-UHFFFAOYSA-N 346.500 4.159 0 40 EIAB CC(C)(CNc1ccc(Cl)nn1)SCc1ccc(F)cc1 1401976 YFBSDNIDJQWJEP-UHFFFAOYSA-N 325.840 4.393 0 40 EIAB C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 3583637 NIANVIXCUXVZMJ-SECBINFHSA-N 335.662 4.460 0 40 EIAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 4072147 XXJBLAYUHPCBPR-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB COc1ccc(Cl)cc1NC(=O)CCc1nc2cc(C)ccc2[nH]1 4999426 XRDLMESNXMZPND-UHFFFAOYSA-N 343.814 4.105 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1C 5199435 XYTBDLIUBOQAAI-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)c(C)c1 6016939 CILAACYGWIFMGI-UHFFFAOYSA-N 328.462 4.215 0 40 EIAB CCOc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1 6405711 SPAPPIUXGFUKAK-UHFFFAOYSA-N 325.408 4.304 0 40 EIAB COc1cccc(COc2ncnc3sc4c(c23)CCCC4)c1 6941054 NIFNVNQCMTXDMA-UHFFFAOYSA-N 326.421 4.158 0 40 EIAB O=C(CSCc1ccc(Cl)s1)Nc1ccc2c(c1)OCO2 7399437 ABJMZSOMTDTGRO-UHFFFAOYSA-N 341.841 4.002 0 40 EIAB Cc1ccc(NC(=S)N2CCN(c3cccc(C)c3C)CC2)cc1 7518528 UHPZFSIGZRLGRA-UHFFFAOYSA-N 339.508 4.131 0 40 EIAB C[C@@H](Cc1nnc(NC(=O)c2cccs2)s1)c1ccccc1 9095387 HOIKOCHZQOGIET-NSHDSACASA-N 329.450 4.198 0 40 EIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(Br)c1 11202623 RFDXSFNZCDSTHA-INIZCTEOSA-N 330.225 4.330 0 40 EIAB COc1ccc(-n2ccnc2SCc2cccc(OC)c2)cc1 11395232 MAAJZXRIPUIQDI-UHFFFAOYSA-N 326.421 4.182 0 40 EIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2onc3c2CCCC3)c1 11914999 SGEOTHDQPFVQMG-CQSZACIVSA-N 342.439 4.391 0 40 EIAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)N5CCCC5)(C4)C2)C3)cc1 12447654 WKTNCQQIXKWCBE-OTXOEQGISA-N 338.495 4.391 0 40 EIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccccc2F)o1 12902560 IMRUEBQYOCHUKZ-MRXNPFEDSA-N 337.350 4.339 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3cc4ccccc4o3)cnc21 13000646 CNAPVPJPVQJKNH-CYBMUJFWSA-N 348.406 4.249 0 40 EIAB COc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 14180888 QBRZQVGCUJCSTF-UHFFFAOYSA-N 335.359 4.410 0 40 EIAB C[C@@H]1c2ccsc2CCN1C(=O)COc1cccc2ccccc12 14183179 VAUALAXETWJXBN-CQSZACIVSA-N 337.444 4.426 0 40 EIAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2cccc(F)c2)c1Cl 14704488 VTPTVGSSKHFMQI-UHFFFAOYSA-N 349.576 4.120 0 40 EIAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 15363605 PKPNJBKUHJVSFL-LBPRGKRZSA-N 349.814 4.153 0 40 EIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)cc1F 16142379 CBYHWPOALLFBAZ-UHFFFAOYSA-N 343.785 4.441 0 40 EIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1 16751666 RVSFTLNXJWZHBX-SFHVURJKSA-N 333.387 4.138 0 40 EIAB CCN(CC)C[C@H](Cn1c2ccccc2c2ccccc21)OC(C)=O 16839778 VEPHTFQHPLUECZ-QGZVFWFLSA-N 338.451 4.068 0 40 EIAB CCCN(Cc1ccc(OC)cc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 19502485 WONBBEYKVKTBLH-LEWJYISDSA-N 343.442 4.229 0 40 EIAB COc1ccc(SCC(=O)NC2CCCCCCC2)cc1OC 20107299 QPVLSPXSDLNTNX-UHFFFAOYSA-N 337.485 4.025 0 40 EIAB COc1cc(CO)cc(Cl)c1OCc1ccc(F)cc1Cl 20377379 USKGPOFWACZCQT-UHFFFAOYSA-N 331.170 4.212 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1 20491903 GOPASSJYXZSNKL-HNNXBMFYSA-N 345.870 4.419 0 40 EIAB CC(C)c1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 20897341 YUGZJATWOIRVKL-CYBMUJFWSA-N 344.480 4.409 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1OC1CCCC1 24929384 WLBTZJFGZSFBAF-UHFFFAOYSA-N 343.398 4.337 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cn2cccn2)o1 28224868 MKPNRWKEBNMUMX-UHFFFAOYSA-N 336.178 4.084 0 40 EIAB O=C1CCCCN1c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 32883784 BMLCTLNVSXFMFQ-HXUWFJFHSA-N 348.446 4.181 0 40 EIAB CCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 33191899 NGUZZPUKVLBPAD-NSHDSACASA-N 339.844 4.056 0 40 EIAB Cc1sc2c(c1-c1ccccc1)c(=O)nc1n2C(=O)c2ccccc2-1 36611802 XNDTXJFTCVIMCB-UHFFFAOYSA-N 344.395 4.102 0 40 EIAB COc1ccc(CN[C@@H](c2ccccc2)C(C)C)c(OC)c1OC 39985625 UDEQKYISFRPRFA-GOSISDBHSA-N 329.440 4.199 0 40 EIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccnc1 40497854 KSFUPZCDFSIQEI-LLVKDONJSA-N 338.238 4.291 0 40 EIAB Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 41107626 MBLFTBGJJRUESE-UHFFFAOYSA-N 343.386 4.379 0 40 EIAB Fc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)cc1 43277665 HAROJFDQANRUMW-UHFFFAOYSA-N 341.405 4.254 0 40 EIAB Cc1ccc(CN(C(=O)c2ccc(C)c(-n3cccc3)c2)C2CC2)o1 48234194 GKFZXDSZERWGLF-UHFFFAOYSA-N 334.419 4.492 0 40 EIAB Cc1c(-c2ccccc2)sc2nc(Cc3ccc(O)cc3)[nH]c(=O)c12 55503124 FKCIIALENLHMRS-UHFFFAOYSA-N 348.427 4.256 0 40 EIAB CCc1cc2c(NC[C@@H](c3ccc(F)cc3)N(C)C)ncnc2s1 59394319 UDKUBFXQLGMUST-INIZCTEOSA-N 344.459 4.108 0 40 EIAB CC(C)N(Cc1ccccn1)Cc1nn(-c2ccccc2)c2c1CCC2 63518192 LQGRLELBDWBYPL-UHFFFAOYSA-N 346.478 4.167 0 40 EIAB C[C@@H](SC(=O)N(CCc1ccccc1)Cc1ccccc1)C(=O)O 70503717 YMNUSPBWHMCBFT-OAHLLOKOSA-N 343.448 4.058 0 40 EIAB CC(C)CCc1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 75134668 QFOAEPWICCYJOB-UHFFFAOYSA-N 334.847 4.408 0 40 EIAB Cc1cc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)nn1C 79360293 MOOOPBTVCIMPJD-OAHLLOKOSA-N 335.407 4.121 0 40 EIAB CC[C@H](O)c1ccc(OCc2ncc(-c3ccccc3OC)o2)cc1 89126981 WJQSWBVHRISHAK-KRWDZBQOSA-N 339.391 4.373 0 40 EIAB O=C(Nc1scnc1C1CC1)c1cnc(-c2cccs2)s1 89800085 VOJPIAQNUFNLAC-UHFFFAOYSA-N 333.463 4.458 0 40 EIAB Cc1cccnc1Nc1nc(-c2ccc3nsnc3c2)cs1 96124470 WEGZFIIQVYMGID-UHFFFAOYSA-N 325.422 4.262 0 40 EIAB O=C(NCCCn1ccc2cccnc21)c1cccc2ccccc12 96353361 GQEDCIBEVMSJEL-UHFFFAOYSA-N 329.403 4.010 0 40 EIAB COC[C@H]1CCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)C1 96418064 GCMVTVPVPWZUDX-AWEZNQCLSA-N 344.386 4.118 0 40 EIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)c1 96659461 HSJWIZNSJUWQLV-UHFFFAOYSA-N 339.844 4.075 0 40 EIAB Nc1nnc(-c2ccc(OCc3ccccc3Cl)c(Cl)c2)o1 216815978 FVDBUCAPEUSFQB-UHFFFAOYSA-N 336.178 4.205 0 40 EIAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(F)cc2)CCS1 219275376 YGORXZUVXAMROC-GOSISDBHSA-N 329.440 4.455 0 40 EIAB Cc1ccc(CNC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222601017 MGNNIACJTHQIAX-UHFFFAOYSA-N 337.810 4.035 0 40 EIAB O=C(Nc1c(F)cccc1F)c1cnc(-c2ccc(Cl)cc2)nc1 222604740 XCGSVFNYSLZPAS-UHFFFAOYSA-N 345.736 4.328 0 40 EIAB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 223249338 CJGOHSWCJIRIMT-INIZCTEOSA-N 349.474 4.310 0 40 EIAB Cc1cc(C)cc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224927714 FTPJLPZQIJFFEM-UHFFFAOYSA-N 344.263 4.435 0 40 EIAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3F)ccc21 225132682 SMMNZMPDAVQBGS-UHFFFAOYSA-N 330.384 4.035 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 225168980 QYFZJRYIQAIVBQ-QGZVFWFLSA-N 325.452 4.208 0 40 EIAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NCC(C)C)cc1 225453305 ZLRUIFCHVAQHME-UHFFFAOYSA-N 341.480 4.190 0 40 EIAB CCOc1ccc(CCCNC(=S)Nc2ccc(OC)cc2)cc1 225621651 QWNSKVFCFUCMPE-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB O=C(CSC1CCCC1)NCc1cncc(-c2cccs2)c1 225666115 VGVAIXKIOLPZTK-UHFFFAOYSA-N 332.494 4.102 0 40 EIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COCC[C@H]1C[C@H]2CC[C@H]1C2 252506113 QBRZVAUIHARCSG-CADBVGFASA-N 337.548 4.233 0 40 EIAB O=C(NCCCc1cc2ccccc2o1)c1nc2ccccc2s1 390831851 VKNGQKAYXRXMRA-UHFFFAOYSA-N 336.416 4.405 0 40 EIAB O=C(O)c1sccc1CN1CCC(Cc2ccccc2F)CC1 571097443 WCAQBLMPONBBRZ-UHFFFAOYSA-N 333.428 4.040 0 40 EIAB O=C(CCCCCn1cccc1)N1CCc2c([nH]c3ccccc23)C1 604405970 VDURLSLKUVHUES-UHFFFAOYSA-N 335.451 4.115 0 40 EIAB biogenic Cn1ccc(CSCc2ccc(Cl)c3cccnc23)cc1=O 609388997 QZSOJGNCZADHRH-UHFFFAOYSA-N 330.840 4.020 0 40 EIAB CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1 630299601 UYKUPKLDMYYTHU-FHWLQOOXSA-N 343.467 4.365 0 40 EIAB CSc1ncccc1C(=O)N[C@@H](C)Cc1csc2ccccc12 824959826 WFTZVXMOSJXKDY-LBPRGKRZSA-N 342.489 4.379 0 40 EIAB C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C(C)(C)C)nn1C 1116112336 RTUKTRCJZBBRPR-GFCCVEGCSA-N 344.434 4.008 0 40 EIAB CS(=O)(=O)Cc1ccccc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 1615623149 ZNKRJHRNKMMWRC-GXTWGEPZSA-N 349.418 4.012 0 40 EIAB C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1F)C1CCC(F)(F)CC1 1616031068 IUWOKZWMFGUHMW-XZJROXQQSA-N 340.389 4.135 0 40 EIAB Cc1csc(C(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)c1 1888897819 CBOUZRPSYHTHQO-UHFFFAOYSA-N 339.464 4.227 0 40 EIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 131936 HXVAVRYBUADPFA-ZHACJKMWSA-N 343.810 4.152 0 40 EIAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C/c2ccco2)c1 277351 UTRSBMOVGMUQSM-VAWYXSNFSA-N 346.386 4.492 0 40 EIAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C1CC1 534570 VGLROJQTXFCKMJ-UHFFFAOYSA-N 340.762 4.429 0 40 EIAB biogenic CCN(CC)CCCNc1c2c(nc3ccc(OC)cc13)CCCC2 1873674 KMRNEKZHJGGXRD-UHFFFAOYSA-N 341.499 4.266 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)COc1ncnc2ccccc12 3260436 BDHQUGRUILLVAT-UHFFFAOYSA-N 335.407 4.079 0 40 EIAB CCc1cccc(C)c1NC(=O)COc1cccc2c1OC(C)(C)C2 3337530 QIPSECSAJCJCMT-UHFFFAOYSA-N 339.435 4.288 0 40 EIAB Cc1cccc(OCCSc2nnc3sc4ccccc4n23)c1 3495529 QWLPOWFHZJELLE-UHFFFAOYSA-N 341.461 4.424 0 40 EIAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc(F)cc1 4249040 AYLCCZLRVVNEOM-UHFFFAOYSA-N 339.395 4.047 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1cccs1 4393830 HZGNGYZECJMLRB-UHFFFAOYSA-N 343.429 4.220 0 40 EIAB CC(C)[C@@]1(CCNCc2cccc3c2OCO3)CCOC(C)(C)C1 4770737 VUVAWWRENAFGRX-FQEVSTJZSA-N 333.472 4.126 0 40 EIAB Clc1cccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)c1 5032108 GXUWEYYZAOLQRS-VOTSOKGWSA-N 328.784 4.270 0 40 EIAB COc1ccc([C@@H](O)c2ccccc2C(=O)Nc2ccccc2)cc1 5360622 UGCJGNVJUUOGLB-HXUWFJFHSA-N 333.387 4.029 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 5439907 QYZDGKLRCKCVDI-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 5556416 UNSFBESEEYWXBL-LLVKDONJSA-N 328.437 4.084 0 40 EIAB O=C(Nc1ccc(Br)cc1F)c1ccccc1Cl 5679132 GOXXHOPCHVKVAH-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nccs1 6590591 WVWVTKMCYAXJER-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(C(C)C)s1 7996104 JRNLUCDXBNZZGL-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB Cc1cc(C)nc(Nc2cccc(OC(=O)c3ccccc3F)c2)n1 8017277 FUGCMVMBHYOQQQ-UHFFFAOYSA-N 337.354 4.195 0 40 EIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8499328 VSNLRYOFENMGLU-CYBMUJFWSA-N 333.815 4.371 0 40 EIAB C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Br)cc1F 8720401 JZNWZDBBWJUQAF-SNVBAGLBSA-N 337.192 4.027 0 40 EIAB Cc1occc1-c1nnc2sc(-c3ccc(F)c(Cl)c3)nn12 8991922 TWVPMHFIFHLHRW-UHFFFAOYSA-N 334.763 4.214 0 40 EIAB CC(C)(C)c1ccc(CCC(=O)NCCCN2CCCCCC2)cc1 10111276 GDTHEXUFAJWDOF-UHFFFAOYSA-N 344.543 4.299 0 40 EIAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1 10112672 IQZSCEDTDCVLEW-UHFFFAOYSA-N 349.427 4.089 0 40 EIAB CC(C)n1cc(C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 12162106 RFPICSVUKAMLRD-MUGJNUQGSA-N 337.467 4.166 0 40 EIAB O=c1[nH]c2c(c3ccccc13)[C@H](c1ccccc1)N1C=CC=CC1=N2 12810152 JWLOGJIOBBIUPE-IBGZPJMESA-N 325.371 4.047 0 40 EIAB Cc1cc(C)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c(Cl)c1 12879863 YLQGRDPIUANZIL-UHFFFAOYSA-N 342.830 4.108 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709536 SIKOVHNKBTZQBZ-CQSZACIVSA-N 349.386 4.032 0 40 EIAB COC(=O)c1c(-c2csc(NC3CC3)n2)c(C)n(C(C)C)c1C 14103473 ILGMNJHPYISXNL-UHFFFAOYSA-N 333.457 4.170 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(OC)c3ncccc23)cc1 15840623 QURAFLGNKVMKTA-UHFFFAOYSA-N 336.391 4.285 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 18702726 AVSAIQWJERPGTM-HNNXBMFYSA-N 339.420 4.001 0 40 EIAB COc1ccc(CN(C(=O)c2cc(Cl)ccc2OC)C2CC2)cc1 19295868 PRNROWMHJUJVNC-UHFFFAOYSA-N 345.826 4.162 0 40 EIAB Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 19736341 SEEIQZQZELWCIO-CQSZACIVSA-N 326.440 4.281 0 40 EIAB COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC 19872436 RCQRSMQKEXWOBN-UHFFFAOYSA-N 337.419 4.296 0 40 EIAB CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)cc1 20105264 SGPLOPPYHPFHFZ-MRXNPFEDSA-N 339.391 4.331 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20142136 MAXUYJWQUFRZKC-NSHDSACASA-N 347.798 4.468 0 40 EIAB O=C(Nc1cc(F)c(F)cc1Cl)OCc1ccc2c(c1)OCO2 20493996 SKHWAEIFYVZAMY-UHFFFAOYSA-N 341.697 4.096 0 40 EIAB CC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1COc1ccccc1 22157719 KJOMXXNSIWKILN-CQSZACIVSA-N 338.359 4.146 0 40 EIAB O=C(Nc1ccc2c(c1)OCCCO2)C1(c2cccc(F)c2)CCC1 25031449 NWCCJDWXDPSZTN-UHFFFAOYSA-N 341.382 4.047 0 40 EIAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl 25060485 BSOPOXJDYVOOHC-PRHODGIISA-N 341.707 4.469 0 40 EIAB CC(=O)c1c(C)cc(C)c(CN2CCO[C@@H](c3ccccc3)C2)c1C 29534488 FUGUQYUMZOEHFL-OAQYLSRUSA-N 337.463 4.388 0 40 EIAB Cc1cc(CNC(=O)CSCc2cccc(Cl)c2)cc(C)c1O 32937102 NXKFSCQCAQUYPR-UHFFFAOYSA-N 349.883 4.212 0 40 EIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN(C)C1CCCCC1 37530281 ZKGHLKYIPSVZNW-VBSBHUPXSA-N 325.537 4.089 0 40 EIAB Cc1cccc(-n2c(C)nnc2SCCOc2ccccc2F)c1 39569944 TWKBZYHPNSGTLT-UHFFFAOYSA-N 343.427 4.194 0 40 EIAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CSCc1cccs1 40108217 UZNVOOFDEJGYQC-LBPRGKRZSA-N 339.913 4.382 0 40 EIAB Cc1cc(C)c2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 41195271 DKMKHNBDDPEXTL-UHFFFAOYSA-N 345.439 4.038 0 40 EIAB CC1(C)N=C(c2ccc(Cl)cc2)C(=S)N1C(=O)c1ccccc1 45932628 JPIDAHBYIOLLAH-UHFFFAOYSA-N 342.851 4.349 0 40 EIAB COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1Cl 57406373 CNOJHUIZJLSGMJ-CHWSQXEVSA-N 344.842 4.127 0 40 EIAB Clc1ccc(SCCSc2nnnn2-c2ccccc2)cc1 57995933 WMKCZBXRFZDROT-UHFFFAOYSA-N 348.884 4.200 0 40 EIAB Cc1c(C(=O)NCc2nc(-c3ccncc3)cs2)oc2ccccc12 65515617 RPHHRRWIHZZOFZ-UHFFFAOYSA-N 349.415 4.190 0 40 EIAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1noc(C2CC2)n1 67783708 KOGDSLVVMAGDNV-UHFFFAOYSA-N 327.167 4.035 0 40 EIAB Cc1ccc(CC(=O)Nc2cccc(CSc3ccccn3)c2)cn1 69486896 IAFBVUDESOVWIJ-UHFFFAOYSA-N 349.459 4.259 0 40 EIAB C[C@H](COCc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 72285824 CMCLYCLMFXIHLM-NVXWUHKLSA-N 344.480 4.050 0 40 EIAB C[S@@](=O)c1c(Cl)cccc1NC(=O)c1ccc(F)cc1Cl 72310011 ATSCREHLBLGCMN-NRFANRHFSA-N 346.210 4.122 0 40 EIAB CC(C)C[C@@H](NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1cccs1 75314091 PNCKIKRPDOMCKT-NPYXIHBLSA-N 349.544 4.150 0 40 EIAB CCOc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)c(C)c1 83207293 ZSLOSDYGRLBMCY-UHFFFAOYSA-N 330.409 4.085 0 40 EIAB C[C@H](CC(=O)OCc1csc(Br)c1)c1ccncc1 84636948 OGRLDYLIFQEEJU-SNVBAGLBSA-N 340.242 4.143 0 40 EIAB Cc1cc(Br)ccc1C(=O)c1cc(F)c(F)c(F)c1 95917362 JMCTWAYAWYLVFO-UHFFFAOYSA-N 329.115 4.406 0 40 EIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nnsc1Cl 95975342 TVZGQVKXZXLFBE-VIFPVBQESA-N 330.910 4.273 0 40 EIAB C(=C/c1nn2c(-c3cc4ccccc4o3)nnc2s1)\c1ccco1 96193969 RTLZEVWABMIVBM-BQYQJAHWSA-N 334.360 4.362 0 40 EIAB CC(C)[C@H](NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 100774245 NZVJOVWXGCKQFU-FTRWYGJKSA-N 343.467 4.097 0 40 EIAB BrC1(Br)[C@@H]2C[C@@]34C=C[C@]3(CC=CC4)C[C@H]21 104294261 RQEXXEWMZPALII-DDHJBXDOSA-N 330.063 4.405 0 40 EIAB COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SC)cc1Cl 104366300 BHFKADUENBYPHG-LCYFTJDESA-N 348.811 4.048 0 40 EIAB COc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1CO 122342340 FLEXGHVPOGJGGU-UHFFFAOYSA-N 345.345 4.338 0 40 EIAB CCOc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1C 223573338 KDVRCPDFIDMUJZ-UHFFFAOYSA-N 349.430 4.356 0 40 EIAB COc1cc(NC(=O)Cc2ccc(C)cc2C)c(OC)cc1Cl 223612207 NNAITPBXVMSDDK-UHFFFAOYSA-N 333.815 4.155 0 40 EIAB CCOC(=O)c1ccc(NC(=S)NC(C(C)C)C(C)C)c(C)c1 225327926 ZJJGKUQCLARJDR-UHFFFAOYSA-N 336.501 4.139 0 40 EIAB Nc1cc(C(=O)NC2CC2)ccc1Nc1cccc(Cl)c1Cl 225427421 HYMUSIQKCKFWKQ-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB CCCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC 226352373 MYOQBCUMXLACET-UHFFFAOYSA-N 331.368 4.172 0 40 EIAB CCC1=C(C(=O)Nc2ccccc2OCc2cscn2)CCCO1 252497078 PYJPCJMPBJZJCR-UHFFFAOYSA-N 344.436 4.135 0 40 EIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4Cl)OCC[C@@]31C2 257300319 RTVAIMNVBHEQOC-LKOZNXPOSA-N 347.886 4.359 0 40 EIAB O=C(O)[C@H]1CN[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)S1 408979178 POEFQJXNTOMDOP-DGCLKSJQSA-N 344.219 4.042 0 40 EIAB CC1(C)CN(Cc2cc3ccccc3c(O)n2)Cc2ccccc2O1 585083860 DICCSXFDDLBCNZ-UHFFFAOYSA-N 334.419 4.114 0 40 EIAB CC(C)c1ccccc1OCC(=O)N(C)C[C@@H](C)c1ccccc1 589383675 OVRCRHUNZNVNPL-QGZVFWFLSA-N 325.452 4.451 0 40 EIAB CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1 630299602 UYKUPKLDMYYTHU-GUDVDZBRSA-N 343.467 4.365 0 40 EIAB Cc1cc(C)n(-c2ccccc2CN2CCC(c3ccncc3)CC2)n1 1506411535 ZDRYCGKSPAKYML-UHFFFAOYSA-N 346.478 4.264 0 40 EIAB O=C(COCc1ccccc1)NCc1cc(-c2ccsc2)cs1 1775969618 CNXZWQSMXLQSFH-UHFFFAOYSA-N 343.473 4.310 0 40 EIAB O=C(O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 131670 QTQZOJPPPGQTDL-UHFFFAOYSA-N 336.825 4.188 0 40 EIAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 334902 RYYCIXHHFXGDPQ-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB COc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 1017095 RAIZYXNYFWWYNK-UHFFFAOYSA-N 332.355 4.145 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1cc(C)cc(C)c1)C2 1369888 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C[C@@H](OC(=O)c1c[nH]c2ccccc12)c1nnc(-c2ccccc2)o1 5349830 WRJYSILRXLVTPP-GFCCVEGCSA-N 333.347 4.136 0 40 EIAB CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 5597617 LGOBGUDEHHJNNV-MFLSKIGUSA-N 331.456 4.192 0 40 EIAB O=C(Cc1c[nH]c2ccccc12)OCc1cc(-c2cccs2)on1 7549516 DIHGCUVYUWWXMA-UHFFFAOYSA-N 338.388 4.170 0 40 EIAB COc1ccccc1NC(=O)Nc1nc(-c2ccc(C)o2)cs1 7777125 FJUKQCXUEDNUJS-UHFFFAOYSA-N 329.381 4.364 0 40 EIAB Cc1ccc(N[C@H](c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 9111319 KIQRBVIWYWDOMD-HXUWFJFHSA-N 341.414 4.433 0 40 EIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(O)cc2)cc1 9233352 XIHFDCCSDNKAHX-FQEVSTJZSA-N 346.386 4.172 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)cc1 9453178 ZLLCUXLLMYUTMX-UHFFFAOYSA-N 339.313 4.208 0 40 EIAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 10215369 LXJBSTJNXNZNNS-FPOVZHCZSA-N 343.386 4.030 0 40 EIAB O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)c1ccccc1 12938363 BBYZMAXRDGDMLI-UHFFFAOYSA-N 349.361 4.074 0 40 EIAB Cc1nc(-c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)co1 12972831 UYPNDUNQRYVTIH-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1ccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 12985290 OLAZSNDDWPWOKN-IBGZPJMESA-N 329.827 4.295 0 40 EIAB CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 13020814 CZXFNVIXZABIGD-ZDUSSCGKSA-N 329.371 4.133 0 40 EIAB COc1ccccc1CNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 13720689 RXUDAFJEIVUBKX-OAHLLOKOSA-N 337.419 4.298 0 40 EIAB COc1ccc([C@H](c2ccccc2)N(Cc2ccco2)C(C)=O)cc1 13729393 PUHLOALWCHAFHJ-NRFANRHFSA-N 335.403 4.426 0 40 EIAB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc2ccccc2c1 15306411 YQZUQXJAGJQTOU-SFHVURJKSA-N 346.474 4.491 0 40 EIAB CCc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1 17067333 RMXRUERDBULDGT-UHFFFAOYSA-N 328.462 4.161 0 40 EIAB C[C@@H](NC(=O)C[C@@H](C)n1cccn1)c1cc2cc(Cl)ccc2o1 19455400 QBEHBQVVUACXTD-VXGBXAGGSA-N 331.803 4.111 0 40 EIAB CC(C)C(=O)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 20745068 XNYFQFXADRPCKV-UHFFFAOYSA-N 348.450 4.041 0 40 EIAB COC(=O)c1occc1CSc1nccn1-c1cccc(C)c1C 21479672 WJFFYQDZCCYKRR-UHFFFAOYSA-N 342.420 4.161 0 40 EIAB Cc1ccccc1NC(=O)c1cccnc1NCCc1ccccc1 22072500 PMHWXQNMNFHJBW-UHFFFAOYSA-N 331.419 4.297 0 40 EIAB C[C@@H]1CN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@@H](C)O1 25665854 MDZVDOLYUVELRM-ZOCZFRKYSA-N 348.446 4.201 0 40 EIAB CN(C(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1 31420246 YHYGKXQCXSCUQC-UHFFFAOYSA-N 344.461 4.299 0 40 EIAB CC(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)s1 32903508 GNYOAZOGFPJMJS-OAHLLOKOSA-N 330.453 4.047 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCCc2ccccc21 32922698 FGLLZETUIBDYCF-UHFFFAOYSA-N 348.471 4.256 0 40 EIAB CC(C)N1C(=O)S/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 36636172 XZRGMFYBVHMRSD-XFFZJAGNSA-N 330.331 4.063 0 40 EIAB CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCCC2 36656490 QBAWRNJJMFBHJY-UHFFFAOYSA-N 349.496 4.424 0 40 EIAB O=C(NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1F 40157782 SBXGYIVYZUTICP-UHFFFAOYSA-N 332.806 4.009 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@@H]1c1ccsc1 46003964 SFCIAOYICODNKJ-OAHLLOKOSA-N 340.408 4.167 0 40 EIAB Cc1ccccc1[C@H]1CCCN1Cc1nc(O)c2sccc2n1 53279259 ZXLHPWGAAUYTFH-OAHLLOKOSA-N 325.437 4.042 0 40 EIAB O=C(Nc1ccncc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 56499322 OLZIXLHYXAJCFM-FQEVSTJZSA-N 329.403 4.261 0 40 EIAB Fc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)co2)cc1 69564764 JFLUIEOGIADASH-UHFFFAOYSA-N 337.310 4.110 0 40 EIAB C[C@H]1CCCCN1C(=O)CC1(CC(=O)N2CCCC[C@@H]2C)CCCC1 71795033 MYNBXBIUWLOBBH-ROUUACIJSA-N 348.531 4.129 0 40 EIAB CC(C)CN1CCC(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC1 84544255 UIFZBEHKFSZWDF-OAQYLSRUSA-N 340.511 4.033 0 40 EIAB COc1nc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc2ccccc12 84697879 MUWOQKSQYHCFPK-ZSZQSSIHSA-N 338.451 4.284 0 40 EIAB c1ccc([C@@H](NC2CCN(Cc3ccccn3)CC2)c2ccco2)cc1 96476436 NCENMCFMBYUOAS-JOCHJYFZSA-N 347.462 4.018 0 40 EIAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1Sc1ccccc1 102439605 MZOGGJRUPLRDAB-KODHJQJWSA-N 347.439 4.149 0 40 EIAB CSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(O)C[C@H](C)CC1=N2 102710901 SITXGLJXAUQYLU-AMIZOPFISA-N 346.481 4.287 0 40 EIAB C[C@@]12C=C3C[C@@H](OC(=O)c4ccccc4)CC[C@@]3(O1)c1ccccc12 104191523 VWKAYLAMUFEYKZ-HSQYWUDLSA-N 332.399 4.477 0 40 EIAB CCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373975 CVNVHOYBHQEWMN-WVYKEMLSSA-N 344.495 4.053 0 40 EIAB Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Cc1ccn[nH]1 172761825 YVUCXCZJOJQXHI-OAHLLOKOSA-N 335.407 4.039 0 40 EIAB Cc1ccc(C)c(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 218951186 SIKHZUJQVKNPBD-QGZVFWFLSA-N 339.435 4.101 0 40 EIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 219055247 SSNPPVYDPGMVLE-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)c(F)c1 223281271 KRGGBDDLGBINQV-LBPRGKRZSA-N 331.362 4.250 0 40 EIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccccc1OC 224108164 GYNHJDLMWBOXMR-AEFFLSMTSA-N 341.451 4.347 0 40 EIAB CCNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344327 PGPQWKZBVZTAOU-UHFFFAOYSA-N 335.856 4.391 0 40 EIAB CCCSc1nnc(NC(=O)c2ccccc2OC(C)C)s1 224759626 VCMSQOWDRJKOIQ-UHFFFAOYSA-N 337.470 4.080 0 40 EIAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)OCc1ccccc1 225084615 MZPNKGFNJHXYKU-AWEZNQCLSA-N 325.191 4.206 0 40 EIAB CCOc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226041569 WFVCYSPKIVNBSX-UHFFFAOYSA-N 343.766 4.097 0 40 EIAB O=C1c2ccccc2CN1c1cccc(-c2nc3ncccc3o2)c1 226287275 ZMPFEBDXVHRRRG-UHFFFAOYSA-N 327.343 4.050 0 40 EIAB CCN(Cc1ccccc1)C(=O)c1ccc(-c2scnc2C)nc1 257227833 FRDDJCAQONJJPA-UHFFFAOYSA-N 337.448 4.176 0 40 EIAB CSCc1cccc(NC(=O)N2CCOc3cc(F)ccc3C2)c1 599738918 XBPLJBKVRRIVLP-UHFFFAOYSA-N 346.427 4.115 0 40 EIAB CC(C)(Oc1cc2c(cc1-c1cccc3c1CCC3)CCO2)C(=O)O 1614423287 ZULHCWJUHXQKQM-UHFFFAOYSA-N 338.403 4.019 0 40 EIAB Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1 137132 SXCHFAQGMVSWLH-HOTGVXAUSA-N 333.435 4.219 0 40 EIAB Cc1ccc(C)c(O[C@H]2OCCO[C@@H]2Oc2cc(C)ccc2C)c1 312355 FIWQEUYGWOXXMV-WOJBJXKFSA-N 328.408 4.077 0 40 EIAB COc1cccc(C(=O)CSc2ncnc3sc(C)c(C)c23)c1 415449 LGBQOMNWPIFHHO-UHFFFAOYSA-N 344.461 4.292 0 40 EIAB O=C(NC1CC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 424113 MRRBMZQKTQHLRF-UHFFFAOYSA-N 345.358 4.042 0 40 EIAB Cc1nc2ccccc2nc1CSc1nc2ccccc2nc1C 1429914 ZLZDQXSYQYKNOS-UHFFFAOYSA-N 332.432 4.482 0 40 EIAB Cc1ccc(NC(=O)/C(Cl)=C2/Sc3ccccc3NC2=O)cc1 1613893 XLHUIVXKWIFINW-PFONDFGASA-N 344.823 4.128 0 40 EIAB COc1ccccc1C(=O)CSc1ccc(Br)cc1 3225017 FUQGYDGKDPGWED-UHFFFAOYSA-N 337.238 4.433 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2-c2ccccc2)cc1 3409791 UIGOCYOZDPRZIP-AWEZNQCLSA-N 337.448 4.248 0 40 EIAB Cc1ccc(NC(=O)CNc2cccc(Br)c2)c(C)c1 3413162 SFGIIWJDCXSPPJ-UHFFFAOYSA-N 333.229 4.117 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 3983823 GHWUZZCCPXLMSI-PJLSOGJUSA-N 328.500 4.135 0 40 EIAB biogenic CCSc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)c1 4585801 WBKQKILAFNUOLH-UHFFFAOYSA-N 348.493 4.089 0 40 EIAB CCCCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887760 BRJVNUBYMFNZCA-TYPHKJRUSA-N 336.431 4.486 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 5403269 LPWROBKJAIKQSF-MDZDMXLPSA-N 332.762 4.089 0 40 EIAB C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4F)c(=O)c23)C1 6016753 KJLHULQTSDYMOI-SECBINFHSA-N 346.452 4.374 0 40 EIAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccccc2)c1 6350938 MLPDZBRWYJEYON-QGZVFWFLSA-N 342.464 4.301 0 40 EIAB Cc1cccc(NC2(c3nnnn3C3CCCCC3)CCCC2)c1 6391301 DCWAMZKXCMABBY-UHFFFAOYSA-N 325.460 4.368 0 40 EIAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 6476206 FLNPCYJEGJITBQ-UHFFFAOYSA-N 338.388 4.100 0 40 EIAB Cc1nc(-c2cccc(NC(=S)NCc3ccco3)c2)cs1 7101732 TWCIUWXPOSIUHH-UHFFFAOYSA-N 329.450 4.198 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C2 8367570 NOLJJDXEMCDCQA-UHFFFAOYSA-N 348.368 4.277 0 40 EIAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 8707236 VTNVDHLBSIDCLG-NSHDSACASA-N 349.217 4.351 0 40 EIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(F)cc1 8863069 ATAMWTRNRKPYTB-SFHVURJKSA-N 346.471 4.234 0 40 EIAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)on2)cc1 8915201 MGDNCRJXWKLKJB-CYBMUJFWSA-N 340.354 4.195 0 40 EIAB CC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 9379212 FKHNUXLSDGBWPS-CYBMUJFWSA-N 336.395 4.177 0 40 EIAB Cc1cc(CNC(=O)c2ccc(-c3ccccc3)nc2C)ccc1F 10552435 JIQCOWHOIKLYQE-UHFFFAOYSA-N 334.394 4.435 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)CSc2ccccc2)c1 12765973 ZSORXFYNWLZSCI-UHFFFAOYSA-N 342.464 4.402 0 40 EIAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(N2CCCC2=O)c1 12922998 NKFMEONXVNIASY-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB Cc1ccccc1CNC(=O)c1csc(-c2ccc(F)cc2)n1 12995697 YJVCRVQTYKWRJQ-UHFFFAOYSA-N 326.396 4.188 0 40 EIAB Cc1ccc(C)c(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1 13017715 KQTINMUGRWYQLL-UHFFFAOYSA-N 325.437 4.326 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13671653 FJHQHBVXPBIDIP-AWEZNQCLSA-N 341.451 4.492 0 40 EIAB O=Cc1cn(CC(=O)c2ccc(Br)cc2)c2ccccc12 14137359 BLCQQLZRMIOXEF-UHFFFAOYSA-N 342.192 4.099 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CCCC2)[nH]1 14186033 RQGXJACCSPFQJW-UHFFFAOYSA-N 340.452 4.227 0 40 EIAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 18543837 DKCVICDKOUPWCQ-GFCCVEGCSA-N 335.856 4.146 0 40 EIAB Cc1c2c(nc3nc4ccccc4n13)C[C@@H](c1ccccc1)CC2=O 20635329 MZKOKRBLEXEXNI-OAHLLOKOSA-N 327.387 4.104 0 40 EIAB Cc1noc(C)c1CSc1nnc(Cc2cccs2)n1C1CC1 24982312 QZJKCWPIPGXISJ-UHFFFAOYSA-N 346.481 4.162 0 40 EIAB COc1ccc(OC)c(CN(C(=O)c2cc(C)sc2C)C2CC2)c1 25806994 FMIVSSQMWIGHBQ-UHFFFAOYSA-N 345.464 4.187 0 40 EIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F 27583768 QRHYONXGROQRHJ-GOSISDBHSA-N 346.833 4.046 0 40 EIAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1C 27746610 YHSDYHVKGQMPLE-UHFFFAOYSA-N 337.379 4.004 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)cc1Cl 27979661 LCXRBNRPTOMHFY-UHFFFAOYSA-N 348.830 4.180 0 40 EIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1csc(-c2ccco2)n1 29596306 STWTVCPYVVQRIG-UHFFFAOYSA-N 342.405 4.107 0 40 EIAB c1ccc(-c2nnc3n2N=C(c2cc4ccccc4o2)CS3)cc1 30782193 VATBIFUOACKQAF-UHFFFAOYSA-N 332.388 4.049 0 40 EIAB C[C@H](NC(=O)Cc1cn2ccccc2n1)c1ccc(Cl)cc1Cl 32083213 WFHYWIGHASDZEQ-NSHDSACASA-N 348.233 4.061 0 40 EIAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccccc3C)c2C)c1 32609743 YAYZFOOWLQIYJR-UHFFFAOYSA-N 349.434 4.118 0 40 EIAB O=C(COc1ccc(F)c(Cl)c1)N[C@@H](c1ccccc1)C1CC1 32904853 VNVXAQAVCOBDPR-SFHVURJKSA-N 333.790 4.125 0 40 EIAB CCc1noc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 33012803 JWMQHBJQQLGFLG-UHFFFAOYSA-N 327.771 4.205 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(OC)cc1 38755990 QYJLMKJYUVGCNZ-QFBILLFUSA-N 341.451 4.347 0 40 EIAB Cc1cccc(C2=NC(C)(C)N(C(=O)c3ccc(F)cc3)C2=S)c1 45932888 YCQFLFHIBDPWSL-UHFFFAOYSA-N 340.423 4.143 0 40 EIAB Cc1ccc(NC(=O)Cc2c(C)nn(C(F)F)c2C)c(Cl)c1 48364641 GTBIYAMZJMCRIO-UHFFFAOYSA-N 327.762 4.038 0 40 EIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1 59351776 VHVBYCXOARGVKO-DOTOQJQBSA-N 327.424 4.038 0 40 EIAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)cc1C 68380351 UPONKCKJMNBBRS-ICSRJNTNSA-N 348.446 4.093 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCCC[C@@H]1c1ccco1 70019834 VMAWFYHOFUAULM-OAHLLOKOSA-N 340.379 4.132 0 40 EIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2ncccc2c1 71121564 LGTAVFLOPIOELH-UHFFFAOYSA-N 330.309 4.184 0 40 EIAB COc1cccc(-c2cncc([C@@H]3CCCN(C4CCCC4)C3)n2)c1 72359260 QRBBETQYSIMGGJ-QGZVFWFLSA-N 337.467 4.274 0 40 EIAB C[C@H](NC(=O)N(Cc1ccoc1)C1CCCCC1)c1ccncc1 73487265 DUWIYTUVHVADCT-HNNXBMFYSA-N 327.428 4.280 0 40 EIAB Cc1ccc2nc(-c3cccc(I)c3)[nH]c2c1 73638953 TXRBBVQMNNBKQL-UHFFFAOYSA-N 334.160 4.143 0 40 EIAB Cc1cnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1 75717860 NUJATBXAGXAJJW-AWEZNQCLSA-N 345.201 4.002 0 40 EIAB Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1cccc(F)c1 84013667 YKEVOIYJPQPOEA-UHFFFAOYSA-N 343.333 4.051 0 40 EIAB CC(C)CC(=O)c1cc(Br)c(O)c(Br)c1 88120935 MOWSYIBIMPHDPE-UHFFFAOYSA-N 336.023 4.146 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(O)c(Cl)c1 89610686 QAAJVTMMTKVWQT-AWEZNQCLSA-N 333.815 4.391 0 40 EIAB Cc1noc(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccccc1 95953251 WYIFFHPMNKYILY-LJQANCHMSA-N 326.440 4.368 0 40 EIAB O=[S@@](Cc1csc([C@H]2CCCO2)n1)c1ccc(F)c(Cl)c1 95976105 PQUPACGJBGTNDK-LRTDBIEQSA-N 345.848 4.095 0 40 EIAB O=C(C1CCCCC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261349 OUXDKACIWZKEJO-LEWJYISDSA-N 341.495 4.206 0 40 EIAB CO[C@](C)(CNC(=O)Nc1ccccc1C)c1cccc(Cl)c1 96393233 QTHBJFIBYRMHMF-GOSISDBHSA-N 332.831 4.332 0 40 EIAB Cc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)noc2C)o1 96414208 RWGCQZODXDJSOX-QGZVFWFLSA-N 330.428 4.269 0 40 EIAB COC(=O)c1cccc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c1 101150869 IEDRHXZFGCQDBS-FMXWSCRGSA-N 341.451 4.408 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1C(C)C 103114766 LPLBSHKIEAEEOC-WOCWXWTJSA-N 329.484 4.438 0 40 EIAB Cc1oc2ccccc2c1CNC(=O)N1CCC[C@H]1c1cccn1C 185597012 LVGWEMDPEBJQGN-SFHVURJKSA-N 337.423 4.126 0 40 EIAB C[S@](=O)Cc1cc(NCc2cccc(F)c2F)ccc1Cl 195559124 PHOXIYGXYHBPPW-NRFANRHFSA-N 329.799 4.109 0 40 EIAB CCOC(=O)c1ccc2oc(-c3cccc(Br)c3)nc2c1 216838534 QCGUJNHFWCOVQM-UHFFFAOYSA-N 346.180 4.434 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCCSc2ccccc2)cc1 222874560 UAVBLDODQNLZHG-IBGZPJMESA-N 343.492 4.315 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C)cn2)cc1 225501631 NQHBHBFLTXLNFD-QGZVFWFLSA-N 343.496 4.472 0 40 EIAB Cc1ccc(CCC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1C 225654959 OFUUGRLFLLSFQB-IBGZPJMESA-N 339.479 4.437 0 40 EIAB CC(=O)N[C@@]1(C)C[C@H](c2c(C)cccc2C)O[C@@H]2C[C@H](C)CC[C@H]21 257344746 ZYNHJQHSFKOIGY-ZUSHIUFSSA-N 329.484 4.464 0 40 EIAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 408546855 GXMWDLJJTUUEAD-OAHLLOKOSA-N 344.414 4.444 0 40 EIAB Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc3nn[nH]c3c2)cc1 1116036332 HWDWWMUUNRRQPG-UHFFFAOYSA-N 342.402 4.113 0 40 EIAB Cc1cc(NC(=O)c2csc(C3CCCCC3)c2)c(N(C)C)nn1 1532371824 FYOGVDWRETUSIR-UHFFFAOYSA-N 344.484 4.213 0 40 EIAB CCOc1ccc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cc1 181300 YUDOKHNBPIKZTQ-UHFFFAOYSA-N 325.364 4.044 0 40 EIAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 482209 ZAMWKEDVTQOREE-HZPDHXFCSA-N 329.465 4.020 0 40 EIAB CCCCOC(=O)[C@@H](OC(=O)Nc1ccccc1)c1ccccc1 1600659 ZPACLSKYMGHHMZ-KRWDZBQOSA-N 327.380 4.320 0 40 EIAB COc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1 4589768 SJVTYSFAPWRSGH-GDNBJRDFSA-N 347.292 4.059 0 40 EIAB CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 4688025 PGTNHUIEEDCSRN-WOJGMQOQSA-N 348.427 4.356 0 40 EIAB COc1ccccc1-c1nnc(SC)n1-c1ccc(Cl)cc1 5736549 UMYDDRIQPOZMLZ-UHFFFAOYSA-N 331.828 4.318 0 40 EIAB O=C(COc1ccccc1F)Nc1nc(-c2cccs2)cs1 6217016 NHEAQZBVULANFM-UHFFFAOYSA-N 334.397 4.028 0 40 EIAB O=C(O)CSc1nnc(-c2ccc(Cl)cc2)c2ccccc12 6243898 HKPJFHFBOTZRBB-UHFFFAOYSA-N 330.796 4.127 0 40 EIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3C=C12 6623680 UCPHWVCWCWZMDK-YAOJWGSESA-N 331.500 4.177 0 40 EIAB biogenic COc1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)sc2c1 6869996 HIVXBQMNRKQHGG-XVNBXDOJSA-N 325.389 4.247 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(-c2nccs2)cc1 7046808 UEHYFNQIEVYIJS-UHFFFAOYSA-N 337.429 4.172 0 40 EIAB CCCCCNCc1cc(Br)c(OC)c(OCC)c1 7261222 PHJJQFIEVNSJRS-UHFFFAOYSA-N 330.266 4.136 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C)n1C1CC1 7617701 JIIAWSHOOYDZOL-LLVKDONJSA-N 340.452 4.075 0 40 EIAB CCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(C)C)cc1 7686995 LNGPQYFIHNMNSW-UHFFFAOYSA-N 340.467 4.279 0 40 EIAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(C(F)(F)F)cc1 7886972 AHHVQSWOUMAVDM-UHFFFAOYSA-N 337.253 4.310 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCO2 8060231 MXJLQWFHMILFHX-UHFFFAOYSA-N 338.388 4.100 0 40 EIAB COC(=O)c1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1C 8330592 RYCGFSGDNSILKC-CQSZACIVSA-N 343.448 4.042 0 40 EIAB CN(C(=O)C1CCCCC1)c1ccccc1C(=O)NC1CCCCC1 8375205 BAFQIYJMVIRLOG-UHFFFAOYSA-N 342.483 4.292 0 40 EIAB Cc1ccc(C2=C[C@H](c3cc(F)cc(F)c3)n3nc(C)nc3N2)cc1 8570199 HOKNNBMPXVISHL-GOSISDBHSA-N 338.361 4.229 0 40 EIAB CCCCc1nnc(SCCCOc2ccccc2C=O)n1CC 8731777 LQCSUNBWCDYYIQ-UHFFFAOYSA-N 347.484 4.014 0 40 EIAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2F)s1)c1ccccc1 8914286 XSKZCLZLZOUYPW-ZDUSSCGKSA-N 341.411 4.477 0 40 EIAB CCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 8938095 XZICEUODZOTFBE-UHFFFAOYSA-N 340.901 4.158 0 40 EIAB O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)N=C(O)N1c1ccccc1 9088483 DUOFISCQQARQFV-SFQUDFHCSA-N 348.333 4.387 0 40 EIAB Cc1ccccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1 9331340 WLSZNQHAOUDXGQ-UHFFFAOYSA-N 331.379 4.227 0 40 EIAB CC(C)(C)c1ccc(CSCc2cc(=O)n3ccccc3n2)cc1 9478993 CSGACGCVOGROFB-UHFFFAOYSA-N 338.476 4.425 0 40 EIAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NCc1ccccc1 9691597 VXAIZGHPUIMJEJ-CYBMUJFWSA-N 342.489 4.359 0 40 EIAB CC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 11923296 AQWRKWSPPXHXQJ-CQSZACIVSA-N 339.464 4.188 0 40 EIAB CCCOc1ccc(C(=O)CCNc2ccc3ncn(C)c3c2)cc1 12411262 MMQXLHZHAQKDMQ-UHFFFAOYSA-N 337.423 4.047 0 40 EIAB Cc1cccc(C(=O)NC[C@H](C)OC23CC4CC(CC(C4)C2)C3)c1 12462739 FMIONIPANVJNFX-SIHNGCNOSA-N 327.468 4.099 0 40 EIAB Cc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCCC2)cc1 12809878 IUPMUJYWPGJCSN-XLIONFOSSA-N 337.467 4.342 0 40 EIAB COc1cccc([C@H](C)NC(=O)Cc2c(Cl)cccc2Cl)c1 13327895 XOPYKMYYJWLYJD-NSHDSACASA-N 338.234 4.422 0 40 EIAB Cc1cc(=O)n2c3ccccc3nc2n1Cc1cccc2ccccc12 13636982 QZLBJCUUBDPXRO-UHFFFAOYSA-N 339.398 4.159 0 40 EIAB COc1c(F)c(F)c(C(=O)Nc2ccc(C)c(Cl)c2)c(F)c1F 14258242 ALYKWJMZOFDHIZ-UHFFFAOYSA-N 347.695 4.466 0 40 EIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 14398572 MHBAASVAIXCRMZ-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@H]1CCCC1=C1CCC[C@@H]12 18136549 OCGIXRYPQDPEGM-USJZOSNVSA-N 341.838 4.356 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(N)c1C 19736750 SKFVGSIPDTWVLB-HIFRSBDPSA-N 326.440 4.497 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccccc1 20042815 WZKQNAQPDSXPHP-RDTXWAMCSA-N 329.465 4.443 0 40 EIAB CCc1[nH]c(SCC(=O)Nc2cccc3ccccc23)nc1C 20095070 YBJOPPQFMCKQGG-UHFFFAOYSA-N 325.437 4.165 0 40 EIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 20481588 SKDRONFZCAGSAI-NRFANRHFSA-N 333.431 4.356 0 40 EIAB Cc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cn1 22414974 SQZAVIYPTVNYQC-UHFFFAOYSA-N 336.366 4.251 0 40 EIAB CCC[C@@H](C)c1ccc(OCCCCCCN2CCNCC2)cc1 22580497 MVSIIQRGZVDOOK-LJQANCHMSA-N 332.532 4.435 0 40 EIAB COc1ccc2cc(C(=O)Nc3ccc(N(C)C)c(C)c3)c(C)nc2c1 24645695 WYSWUJKVJVXRCF-UHFFFAOYSA-N 349.434 4.179 0 40 EIAB Cc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)c1 28289404 CKGVAGLSZXKXKZ-HXUWFJFHSA-N 338.495 4.325 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(F)cc1 32772364 BCULKVBQXXKMBW-UHFFFAOYSA-N 330.384 4.123 0 40 EIAB C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 32819602 VSKWUMBRZWDRAM-HNNXBMFYSA-N 345.508 4.238 0 40 EIAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(C)(C)C 36390512 SDDYUTYBFAEAHK-ACJLOTCBSA-N 325.408 4.151 0 40 EIAB C[C@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(OC(F)F)cc1 40059906 BGXGIENLJURYQP-ZDUSSCGKSA-N 333.378 4.443 0 40 EIAB CCCCC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 40104409 JSKFWSAAQWTWKX-NSHDSACASA-N 325.840 4.389 0 40 EIAB Fc1ccc([C@@H](NC(=S)NC2CC2)c2ccccc2Cl)cc1 44238136 IUXIZWHUAAXOQX-MRXNPFEDSA-N 334.847 4.195 0 40 EIAB Cc1cc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)no1 44816900 LYCMRQFWUOBGHJ-KRWDZBQOSA-N 345.402 4.026 0 40 EIAB Cc1cccc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)c1 45949556 ONLDAWXMWXPLNU-UHFFFAOYSA-N 347.418 4.291 0 40 EIAB O=C(Cc1noc2ccccc12)Nc1ccccc1OC1CCCC1 46666289 ZRIMHRJQBBDXMO-UHFFFAOYSA-N 336.391 4.330 0 40 EIAB C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 54950657 GWGRFVYQIRLIMW-XJKSGUPXSA-N 334.423 4.001 0 40 EIAB Clc1ccccc1N1CCN(Cc2cccc3cccnc23)CC1 57426032 GEQMOPVFDZGSOO-UHFFFAOYSA-N 337.854 4.210 0 40 EIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351951 SPMUKRMCCYBMAN-OXQOHEQNSA-N 341.451 4.347 0 40 EIAB CC(C)c1nccn1CC1CCN(C(=O)c2ccccc2Cl)CC1 62017556 IWXFSYFGBGOUTK-UHFFFAOYSA-N 345.874 4.212 0 40 EIAB COc1ccc(Cl)c2c(Nc3cccc(C(=O)O)c3)ccnc12 64874720 HQWURNBRULVYCC-UHFFFAOYSA-N 328.755 4.339 0 40 EIAB CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2)nc2ccccc21 65575588 DFBHBTIAEXJNNY-GOSISDBHSA-N 334.423 4.425 0 40 EIAB CCC1CCC(N(C)C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 69451374 VJDJJMWDJFSNTN-UHFFFAOYSA-N 335.423 4.217 0 40 EIAB COc1cccc2cc([C@H](C)NC(=O)N[C@@H](C)c3nccs3)oc12 69566276 YFWIKZKAOQHTQT-QWRGUYRKSA-N 345.424 4.019 0 40 EIAB CC(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462066 JDKWTMCHIFPBIX-UHFFFAOYSA-N 330.771 4.448 0 40 EIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C 72215199 DSBYWWZDGQDTFM-ZBFHGGJFSA-N 333.476 4.388 0 40 EIAB O=C1CCN(C(=O)c2cc(Cl)sc2Cl)c2ccccc2N1 72288074 XFSATIOHEZAGIM-UHFFFAOYSA-N 341.219 4.044 0 40 EIAB FC(F)(F)c1nnc2sc(-c3cccc(Cl)c3Cl)nn12 73634368 IMWSMYKXQMVYHL-UHFFFAOYSA-N 339.129 4.178 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccnn1C1CCCCC1 75143824 XUVOUXGZGGFNCQ-QGZVFWFLSA-N 341.459 4.398 0 40 EIAB Cc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(C)c1O 84147840 RSYZSMNFLXKBJZ-UHFFFAOYSA-N 328.799 4.325 0 40 EIAB CCc1c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)[nH]c(C)c1C(C)=O 88253134 IXGYKVVLMPPECP-NSHDSACASA-N 330.403 4.027 0 40 EIAB c1cnc(-c2nc(-c3nc(-c4cc5ccccc5o4)no3)cs2)nc1 88339746 WQMQFSCBPHQWGC-UHFFFAOYSA-N 347.359 4.063 0 40 EIAB O[C@@H](C1CCN([C@H]2CCCCc3ccccc32)CC1)C(F)(F)F 95968374 JCCCIRUULSLXLX-IRXDYDNUSA-N 327.390 4.089 0 40 EIAB O=S(=O)(NCc1ccccc1-c1ccsc1)C1CCCCC1 96383483 FXFPFDMVBDGMED-UHFFFAOYSA-N 335.494 4.167 0 40 EIAB CCSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(O)CCCC1=N2 102678643 QQSDDGIXXVJPSK-HNNXBMFYSA-N 344.415 4.201 0 40 EIAB O=C(CCN1CC[C@H]2CC[C@@H](C2)C1)c1ccc(C(F)(F)F)cc1 104069571 UNGIRURMSIKRMA-KGLIPLIRSA-N 325.374 4.400 0 40 EIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Cl)S1 222558878 ZWDRDVQDXSTWIW-UVBJJODRSA-N 329.856 4.324 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223209600 ZYSGJBJMQODIIS-DLBZAZTESA-N 337.463 4.437 0 40 EIAB COC(=O)c1ccc(CN2c3cc(OC)ccc3[C@@H](C)CC2(C)C)o1 223231583 ZTJKGQUCSRSCID-ZDUSSCGKSA-N 343.423 4.367 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 223442269 FGXHQNUIVHATHB-HOTGVXAUSA-N 329.415 4.396 0 40 EIAB COCc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 224397862 CCJNWYJPAKQARJ-UHFFFAOYSA-N 339.313 4.113 0 40 EIAB COc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cn1 225496362 VLBUZUCCCRRAPB-INIZCTEOSA-N 329.469 4.164 0 40 EIAB Clc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1 226240406 KCPKIDNRMLMMCE-UHFFFAOYSA-N 337.250 4.442 0 40 EIAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(N)nc12 226309694 KNVGQUNGGWEUKW-UHFFFAOYSA-N 341.436 4.263 0 40 EIAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(F)c2)O[C@@H]2CCC[C@@H]12 257344804 ZYSXLMXQWNHJGE-WBQNTZJQSA-N 339.838 4.250 0 40 EIAB COc1ccc(CCC(=O)NCc2ccc(-c3ccoc3)cc2)cc1 390829848 GZXGJVZWZBQVAU-UHFFFAOYSA-N 335.403 4.204 0 40 EIAB Clc1ccc(CSc2n[nH]c(COc3ccccc3)n2)cc1 409386342 SKIFGGUKODSLDQ-UHFFFAOYSA-N 331.828 4.329 0 40 EIAB Fc1cc(Cl)ccc1-c1nnc2n1CCCC[C@H]2C1CCOCC1 1616038057 GMYCKEZEQDIUDV-AWEZNQCLSA-N 349.837 4.432 0 40 EIAB CCc1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 38623 VNOVJHSSHGBDNQ-UHFFFAOYSA-N 349.224 4.304 0 40 EIAB CC(C)(C)C(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N 377612 ZJAIRHARSPNCLQ-UHFFFAOYSA-N 327.812 4.490 0 40 EIAB Cc1ccnc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1 497197 ZSAQGMLWYQDSOD-UHFFFAOYSA-N 340.452 4.310 0 40 EIAB COc1cccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1OC 818102 DQRURWSPDDZBMW-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB Cc1ccc(C(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 1223183 DUBBCUMDVLCKTL-UHFFFAOYSA-N 347.443 4.474 0 40 EIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1C)C2 1369877 ZILDTCDQNGXCTE-IRXDYDNUSA-N 331.529 4.077 0 40 EIAB Cc1ccc(C(=O)[C@H](O)[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 1394792 QIAUEJSGCORVTR-IFMALSPDSA-N 337.463 4.074 0 40 EIAB CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)cc2)N1 1764475 FXSVNCBUPHSAAE-QGZVFWFLSA-N 331.872 4.111 0 40 EIAB O=C(c1cccc(CN2CC=CC2)c1)c1cccc(C(F)(F)F)c1 2515409 JHVPCGANNSHSJJ-UHFFFAOYSA-N 331.337 4.308 0 40 EIAB CCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3531798 FJBSJDFPUSSXIK-UHFFFAOYSA-N 338.432 4.237 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(F)c1 4119876 MVJHSZZPLRYZFQ-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB CCn1c(SCC(=O)c2ccc(C)cc2C)nnc1-c1ccco1 4882104 PEEIENKUCHVEEZ-UHFFFAOYSA-N 341.436 4.150 0 40 EIAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(=O)O)c1 5126537 ZRUACYJFEXUIHX-UHFFFAOYSA-N 325.151 4.336 0 40 EIAB COc1cccc(C(=S)N2CCCC2)c1OCc1ccc(F)cc1 5746342 IYOKOEPNOYWCOO-UHFFFAOYSA-N 345.439 4.185 0 40 EIAB O=C(CCCSc1nc(-c2ccccc2)n[nH]1)c1cccs1 7471570 LXHIVOYSEYCAPQ-UHFFFAOYSA-N 329.450 4.288 0 40 EIAB Cc1ccccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 7756807 JKLZORQUDJQIHW-UHFFFAOYSA-N 342.402 4.040 0 40 EIAB CCc1nnc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)o1 9368081 CRAOZHYKEJYYLS-UHFFFAOYSA-N 347.469 4.136 0 40 EIAB Cc1nc(COc2ccccc2C(=O)NC2CCCCCC2)cs1 9512370 UFWNXPGNXYAZFI-UHFFFAOYSA-N 344.480 4.483 0 40 EIAB O=C(NCCCOC1CCCCC1)Nc1nc2ccccc2s1 10282990 KDKJZKNWZYZXRO-UHFFFAOYSA-N 333.457 4.157 0 40 EIAB Cc1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)c(C(C)(C)C)c1 12170248 NGLDSLCGXAOBKG-KZNAEPCWSA-N 333.516 4.010 0 40 EIAB Cc1c(C(=O)N(C)c2ccc3c(c2)OCCO3)oc2c(C)cccc12 12206310 RYBBDRLBXUQWNJ-UHFFFAOYSA-N 337.375 4.097 0 40 EIAB O=C(Nc1cccc(CNCc2ccco2)c1)c1ccc(Cl)cc1 12567976 HBFGSNQRUHZHSK-UHFFFAOYSA-N 340.810 4.475 0 40 EIAB O=C(Nn1cnc2ccccc21)c1cc2c(s1)CCCCCC2 12627249 RPHWQDRGLHDDBQ-UHFFFAOYSA-N 325.437 4.141 0 40 EIAB CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(C)cc1 12974625 HDOLTEKVHRPXFL-OAHLLOKOSA-N 327.453 4.133 0 40 EIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccccc2C)CC3=O)cc1 14164259 HERZHUJDHYINCL-MRXNPFEDSA-N 346.430 4.410 0 40 EIAB Cc1ccc(CN(C)C(=O)c2ccc(OCc3ccccc3)cc2)o1 14185805 MCBFNQKXDMRGTR-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB C[C@H]1CCc2c(sc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 15085212 UJBJCNMGWPCYBR-GXFFZTMASA-N 341.432 4.076 0 40 EIAB CC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 16753685 ZNFHBUAZUJZIEX-UHFFFAOYSA-N 336.391 4.189 0 40 EIAB Cc1sc2c([C@@H]3CCCNC3)nc(Nc3cccc(F)c3)n2c1C 19561743 BBQWXQGGRKDBTF-CYBMUJFWSA-N 344.459 4.362 0 40 EIAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1OC 20489996 KNXOOOPIMCPSHZ-INIZCTEOSA-N 347.842 4.165 0 40 EIAB CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 23913440 DRSMWMQLXGOJCZ-UHFFFAOYSA-N 325.389 4.330 0 40 EIAB Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](C)CCCC(C)C)c(C)c1 26181256 TVHHSMRAWGJSDC-KRWDZBQOSA-N 347.503 4.064 0 40 EIAB Cc1nc(COc2cccc(C(=O)N(C)c3ccccc3)c2)cs1 27445736 UQQJDZQZNIMJBY-UHFFFAOYSA-N 338.432 4.307 0 40 EIAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccccc1Cl 28238034 HNWASAXDZKVAGA-SECBINFHSA-N 345.752 4.139 0 40 EIAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc2ccccc12 31565963 FUBJWUGGYWTTHI-HXUWFJFHSA-N 344.458 4.234 0 40 EIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)c(OC)c1 44847685 CAQFIWPCHUTBOP-MRXNPFEDSA-N 343.423 4.117 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 48065936 SOKQEOUJCPWSNJ-ATGUSINASA-N 338.407 4.146 0 40 EIAB Cc1nc(C)c(-c2nnc(SCc3nc4ccccc4o3)o2)s1 48326512 PKOGLHILQSSYKB-UHFFFAOYSA-N 344.421 4.243 0 40 EIAB CCCOc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2)cc1OC 48374971 DDOOAPDVTWNYAQ-GFCCVEGCSA-N 348.830 4.023 0 40 EIAB CC(C)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 48715388 DVKLCKVVNSVZDC-HNNXBMFYSA-N 338.451 4.209 0 40 EIAB Cn1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc21 50547907 HHVBPZPUIBDCDA-YVLHZVERSA-N 349.415 4.272 0 40 EIAB COc1ccc2oc(C)c(C(=O)N3CCC(OCC(C)C)CC3)c2c1 55912359 QECVAOLKHJJDNS-UHFFFAOYSA-N 345.439 4.027 0 40 EIAB CC(C)Sc1ccccc1C(=O)Nc1ccc(-c2nnco2)cc1 55996028 GXRLJOUBLVGWGB-UHFFFAOYSA-N 339.420 4.489 0 40 EIAB O=S(=O)(C/C=C/c1ccccc1)Cc1csc(C2CCCC2)n1 58214791 WKNXRWMKXRWWRR-RMKNXTFCSA-N 347.505 4.429 0 40 EIAB O=C(NCc1ccncc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 58327897 BAPKSPURJNJYLC-HZPDHXFCSA-N 349.459 4.058 0 40 EIAB CCN(CC)CCC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 60624331 SMDBJPNGWSPXPM-GFCCVEGCSA-N 331.287 4.234 0 40 EIAB O=C(OCc1ccc(F)cc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 72202917 JMGVFNXQOUTDBU-IBGZPJMESA-N 345.389 4.063 0 40 EIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC 72214729 OVTMXNYCYGBANP-INIZCTEOSA-N 333.476 4.390 0 40 EIAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CCOc3ccccc32)n1 72273927 KWONDEAZSHVOEP-HOTGVXAUSA-N 342.464 4.071 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(OC(C)C)cc1 72331740 QXNDNLKRZMXYNO-UHFFFAOYSA-N 333.815 4.066 0 40 EIAB COc1c(S(=O)(=O)c2ccc(C)cc2)cnc2cc(Cl)ccc12 72332518 RUWBHVPOOPWBJL-UHFFFAOYSA-N 347.823 4.038 0 40 EIAB c1cncc(-c2n[nH]cc2CNc2ccc3nc(C4CC4)oc3c2)c1 89794094 XDGYVSGHJCHGML-UHFFFAOYSA-N 331.379 4.102 0 40 EIAB CCc1nc(C)c([C@H](C)OC(=O)c2ncoc2-c2ccco2)s1 95401677 CVRMIEJWOMHYHK-JTQLQIEISA-N 332.381 4.180 0 40 EIAB COc1ccccc1NCc1nnc(-c2ccccc2C(F)(F)F)o1 95414801 RSWAZPQZWYYFPO-UHFFFAOYSA-N 349.312 4.376 0 40 EIAB C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1cccc(C(=O)N(C)C)c1 95455781 VBAOQHYUDALQEP-GJZGRUSLSA-N 340.442 4.035 0 40 EIAB CCOC(=O)c1sc(Nc2cccc(C(F)(F)F)c2)nc1C 95929467 XURCMOMKHXXUOM-UHFFFAOYSA-N 330.331 4.391 0 40 EIAB CN(C(=O)Cc1cccc(Cl)c1)c1ccc(-c2ccccc2)nn1 96472876 SKRJVOOUJZYXGC-UHFFFAOYSA-N 337.810 4.003 0 40 EIAB COc1ccccc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O 96759113 GJQXNCFRXJWIRO-UVTDQMKNSA-N 338.432 4.028 0 40 EIAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118935580 YATPIFKIZZKJFX-XHGSXZHTSA-N 334.500 4.322 0 40 EIAB O=C(c1ccc2[nH]ccc2c1)N1CCS[C@@H](c2ccccc2)CC1 208041707 JXYCTULTCQDTJQ-LJQANCHMSA-N 336.460 4.488 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 223241051 ARBQORPFZLAVNC-JRJVTICQSA-N 327.468 4.028 0 40 EIAB Cc1c(Cl)cccc1Nc1ccc(N)cc1C(=O)N1CCCC1 225472887 CXYCZBOAYHRQLI-UHFFFAOYSA-N 329.831 4.210 0 40 EIAB CCOc1ccc(NC(=S)NCCCc2cccc(OC)c2)cc1 225552816 SOHFCUHLNPRTDB-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCC(C)CC1 225912336 VXVQSGWAVVVHCM-UHFFFAOYSA-N 334.460 4.103 0 40 EIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245228200 JVPLYRPRJVNTFD-CAEXGNQWSA-N 344.480 4.249 0 40 EIAB Cc1ccc(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 409142661 BHSRKYQATFDXEV-MRXNPFEDSA-N 345.851 4.455 0 40 EIAB COCCn1c(C)cc(C(=O)CSc2ccc(Cl)cc2)c1C 1802707 BVZRGNZDCJDWII-UHFFFAOYSA-N 337.872 4.380 0 40 EIAB Cc1cccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c1 2053242 JXXWRXBGBDTJFO-YBEGLDIGSA-N 342.395 4.240 0 40 EIAB COc1ccccc1-c1nnc2sc(-c3ccc(Cl)cc3)nn12 2442534 LAYDGXZODBLRTB-UHFFFAOYSA-N 342.811 4.182 0 40 EIAB Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCCC2 2558473 LSFPSGQUWLRGNO-UHFFFAOYSA-N 340.370 4.480 0 40 EIAB O=C(OCc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 3274929 RVXWHRNTGXKOQU-UHFFFAOYSA-N 348.276 4.169 0 40 EIAB FC(F)(F)c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 3504034 MTDYTRZDUGJGEW-UHFFFAOYSA-N 340.326 4.243 0 40 EIAB Cc1cccnc1NC(=O)c1cccnc1-c1nc2ccccc2s1 6673054 ZVMWFWVREVZIFS-UHFFFAOYSA-N 346.415 4.314 0 40 EIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1oc2ccccc2c1C 7272823 PFUJAZQTKRATRV-UHFFFAOYSA-N 337.375 4.132 0 40 EIAB CCOC(=O)c1ccc(-c2ccc(CNCc3ccccc3)o2)cc1 7519657 FHMYRWBDJKWMNW-UHFFFAOYSA-N 335.403 4.413 0 40 EIAB CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@@H](c1ccc(OC)cc1)O2 7636265 XIWHMXQTJHZKHK-IBGZPJMESA-N 339.391 4.140 0 40 EIAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2ccccc2c(=O)o1 8520345 GVXCPRURFGBZAP-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 8774488 IJJLEVVPCDPBCS-LBPRGKRZSA-N 328.462 4.292 0 40 EIAB Cc1cc(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc12 9635999 QDQHJLUWBVNFEA-UHFFFAOYSA-N 333.416 4.072 0 40 EIAB CC(=O)Nc1ccc(C(=O)[C@H](C)Nc2cccc3ccccc23)cc1 12597454 OXNVFMZIHUGOIR-AWEZNQCLSA-N 332.403 4.482 0 40 EIAB CSc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 12869064 GRXIJQDWZKBUMM-UHFFFAOYSA-N 348.855 4.059 0 40 EIAB CC[C@H](N[C@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 12993083 RANGERMMHJGWOL-WBVHZDCISA-N 326.440 4.072 0 40 EIAB C[C@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccco1 14139120 DXMIFUBVADYGIL-BCPZQOPPSA-N 342.395 4.433 0 40 EIAB CCCCCC(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 14257656 OMXOWXVRLBPIIC-UHFFFAOYSA-N 335.498 4.306 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)c(F)c1 16261102 DETLHKSTJHHLOR-UHFFFAOYSA-N 329.400 4.157 0 40 EIAB CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(F)cc1Cl 16589491 FCSDBXYRNLUNLR-UHFFFAOYSA-N 341.213 4.203 0 40 EIAB COc1c(Cl)cc(C(=O)Nc2nc3ccccc3[nH]2)cc1Cl 17304315 BUHBKIISOWBHJZ-UHFFFAOYSA-N 336.178 4.131 0 40 EIAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCCC1 18337759 QBVSZOYIRYRMNH-SNVBAGLBSA-N 332.391 4.030 0 40 EIAB O=C(COC(=O)c1cc2c(F)cccc2s1)NC1CCCCCC1 24728148 AVQVROIEYVJHBN-UHFFFAOYSA-N 349.427 4.036 0 40 EIAB CCc1ccc2oc(-c3cc(N)c(OC)c(Br)c3)nc2c1 26509132 HWJJQMMSYXKENK-UHFFFAOYSA-N 347.212 4.411 0 40 EIAB Cc1nc(COc2ccc(/C=C/C(=O)N3CCCCC3)cc2)cs1 29651502 RAENTFLPDQYLOX-JXMROGBWSA-N 342.464 4.056 0 40 EIAB COc1ccc2c(C)cc(S[C@@H](C(=O)O)c3ccccc3)nc2c1 30822747 VVFRPMHKPJSCIB-GOSISDBHSA-N 339.416 4.470 0 40 EIAB CC(C)(CNC(=O)[C@@H]1CC=CCC1)c1ccc(Br)cc1 32931319 WMWCUTRGJXOGGE-CYBMUJFWSA-N 336.273 4.199 0 40 EIAB CN(C)c1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 36395204 HFHDGQOWIXAYEP-UHFFFAOYSA-N 333.391 4.192 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)cc1C 36620314 PTPAANBAABCCAP-IBGZPJMESA-N 329.465 4.138 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36621135 NXDUCVLRJMAJCY-SFHVURJKSA-N 349.883 4.428 0 40 EIAB CC(C)CNc1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)s1 37165060 VOOKJNXRNKZIAS-SECBINFHSA-N 341.506 4.140 0 40 EIAB COc1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38835097 VYDGGBHMKJIZKB-INIZCTEOSA-N 338.451 4.179 0 40 EIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C 44856412 MPVNQXMXFHLJMZ-KRWDZBQOSA-N 333.435 4.039 0 40 EIAB O=C(COc1ccccc1Br)c1ccc(Cl)cc1 47820465 YUDHQGKBRRLUEH-UHFFFAOYSA-N 325.589 4.364 0 40 EIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 48236892 HBDRSQDHBKFAQO-PBHICJAKSA-N 337.423 4.009 0 40 EIAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)SCC(O)=N2 49545108 KUFCURUBYWKYLB-HNNXBMFYSA-N 342.449 4.061 0 40 EIAB COc1ccc(C)cc1NC(=O)CN[C@@H](C)c1ccc2ccccc2c1 57383348 DEKJTEPHLBHNQB-INIZCTEOSA-N 348.446 4.446 0 40 EIAB COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cccc2)cc1Cl 62021908 DHYLQWHYHQLGES-GOSISDBHSA-N 340.810 4.378 0 40 EIAB O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)[C@H]1CCOC1 69004036 WHAVEBHXBKXSOZ-HNNXBMFYSA-N 334.375 4.002 0 40 EIAB CSc1ccc(Cl)c(C(=O)Nc2cc(-c3ccncc3)n[nH]2)c1 69617219 QKEKVYXBCKZQDJ-UHFFFAOYSA-N 344.827 4.099 0 40 EIAB O=C(C[C@H]1C=CCC1)N[C@@H](c1cccnc1)c1cc2ccccc2o1 69620293 MCVHUCFCSDFDEN-BTYIYWSLSA-N 332.403 4.390 0 40 EIAB Cc1ccccc1-c1noc(C[S@@](=O)Cc2cccc(Cl)c2)n1 69808419 HEYLQDCVEZDYSN-HSZRJFAPSA-N 346.839 4.147 0 40 EIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C(C)(C)C)cc1 71928111 KGYIQDDFTIGBKP-UHFFFAOYSA-N 349.434 4.306 0 40 EIAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccc(Br)o1 79484060 OIKLVTLIODMUKP-UHFFFAOYSA-N 346.184 4.048 0 40 EIAB O=C(Nc1cccc2ccccc12)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344732 ZDEABBAHRCGTOK-ZWKOTPCHSA-N 345.398 4.353 0 40 EIAB Cc1nc(SCC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)oc1C 84061701 CRXHOAWDFQNSNJ-UHFFFAOYSA-N 348.512 4.058 0 40 EIAB O=C(NCc1ccccc1)N1CCC(Cn2ccc3ccccc32)CC1 90608802 FPXDWVYSZDCDFS-UHFFFAOYSA-N 347.462 4.263 0 40 EIAB FC(F)(F)COc1cc(CN[C@H](c2ccccc2)C2CC2)ccn1 91285327 LQBDGTSEEOERQP-QGZVFWFLSA-N 336.357 4.264 0 40 EIAB Cc1nc(-c2cccc(NC(=O)CCCc3ccccn3)c2)[nH]c1C 95351169 LOSJLFUZRLAODB-UHFFFAOYSA-N 334.423 4.050 0 40 EIAB Cc1ccc(CN[C@@H](C)c2cccs2)c(OC[C@H]2CCOC2)c1 95969170 IQBBDRXDGINPRJ-HOTGVXAUSA-N 331.481 4.323 0 40 EIAB COc1cccc(C[S@](=O)Cc2nc(-c3cccs3)oc2C)c1 96404324 NACZMFGVSNJSSQ-HSZRJFAPSA-N 347.461 4.169 0 40 EIAB CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H](OCCC(C)C)C2)c1 96459615 DHYVUIXZOJHWCJ-CRAIPNDOSA-N 334.460 4.063 0 40 EIAB O=C(O)C1=C[C@@H](c2cccc3ccccc23)n2c(nc3ccccc32)N1 102243866 QSHZFVNJTZVEBM-IBGZPJMESA-N 341.370 4.173 0 40 EIAB Cc1nc(CSCCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cs1 105953115 GIAVUGDTNOYDPQ-ATVPRXPUSA-N 338.542 4.016 0 40 EIAB O=C(Nc1ccccc1O)c1ccc(COc2ccc(Cl)cc2)o1 141011612 CEORIIWHCZBTBS-UHFFFAOYSA-N 343.766 4.470 0 40 EIAB CCOc1cccc(CNC2(c3cccc(F)c3)CCOCC2)c1 174647168 SRYMTQKCDNIPAG-UHFFFAOYSA-N 329.415 4.020 0 40 EIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1OC 216310160 MFHLXRVRYQUEPO-KRWDZBQOSA-N 347.842 4.165 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1C 222580299 LCNWRGBTZMRINI-CQSZACIVSA-N 349.833 4.222 0 40 EIAB Cc1cc(OCC(=O)NCc2ccc3ccccc3c2)ccc1Cl 222787228 MHNFLRHXEKFCLE-UHFFFAOYSA-N 339.822 4.497 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccccc2)cc1 222893214 CDIBHNAKGCVHKA-FQEVSTJZSA-N 325.452 4.155 0 40 EIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224214250 LVUIWYAQASBULO-HNNXBMFYSA-N 339.435 4.288 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC1=CCCCC1 224602314 NEKZLYWRESYTQE-MRXNPFEDSA-N 327.468 4.339 0 40 EIAB Cc1ccc(CCC(=O)NCCSCc2ccccc2)cc1C 225073500 MAHGTCYYSSYIPT-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCCc1ccco1 225339968 DGODNTMCAPXICO-UHFFFAOYSA-N 326.223 4.268 0 40 EIAB COc1cc(N)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 227147595 RMZQDQBGYHYCKI-UHFFFAOYSA-N 342.782 4.443 0 40 EIAB CC(=O)N[C@@]1(C)C[C@H](c2c(F)cccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257201366 AHJJGEGEASAXEJ-WJGMNTLISA-N 337.410 4.126 0 40 EIAB O=C1CCCc2cc(Oc3nc(C4CCCC4)ns3)ccc2N1 520788258 HZJWOCSHYJECCW-UHFFFAOYSA-N 329.425 4.263 0 40 EIAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(Cl)nc1 524733888 ZPLOCZVRDXDBDK-CQSZACIVSA-N 331.828 4.216 0 40 EIAB CCc1noc(C)c1-c1noc(-c2ccc(O[C@H]3CC3(F)F)cc2)n1 528183045 LPEDXPPCGWGBKZ-ZDUSSCGKSA-N 347.321 4.049 0 40 EIAB CC(C)CC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 592780923 WAMXQHYDTXJNMO-CQSZACIVSA-N 334.218 4.079 0 40 EIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(C)cc(C)c1 253017 MOQDHNWRHGRNDS-UHFFFAOYSA-N 337.375 4.479 0 40 EIAB CCSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 422427 XNQJCSRQSINVGC-UHFFFAOYSA-N 328.416 4.131 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3c(Cl)cccc3Cl)CC[C@@]1(C)C(=O)O2 616814 VEHLFGATGHRFOT-JKSUJKDBSA-N 342.222 4.054 0 40 EIAB CCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2310087 YJIIUGLLIKHTRP-UHFFFAOYSA-N 327.211 4.487 0 40 EIAB CCN(CC)C(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 2446520 VICUUINYNATGAH-IBGZPJMESA-N 329.415 4.225 0 40 EIAB c1ccc(Nc2nnc(SCCOc3ccccc3)s2)cc1 2726204 GQJRRTAIMUEESB-UHFFFAOYSA-N 329.450 4.453 0 40 EIAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1 5026415 VFPBTMNJLPJZLI-UHFFFAOYSA-N 348.446 4.334 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)c3cccc(C)c3)o2)c1 5240242 LIBDTIVBZACAOM-UHFFFAOYSA-N 325.393 4.019 0 40 EIAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccccc21 5451448 BJTOOOKODUSQTN-UHFFFAOYSA-N 341.208 4.133 0 40 EIAB Cc1cc(C2=N/C(=C\c3cccs3)C(=O)O2)ccc1Br 5724907 AILOMUHIAKIPRR-JYRVWZFOSA-N 348.221 4.164 0 40 EIAB CCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 6810436 VCTLNJKXRCERPI-UHFFFAOYSA-N 328.224 4.148 0 40 EIAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(C)c(F)c4)c3C)n2)cc1 7006612 WBUMQBAOIQTRLL-UHFFFAOYSA-N 349.369 4.049 0 40 EIAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCCCCC2)c1 7378017 DQJVRYCGZZNIJA-FQEVSTJZSA-N 338.451 4.251 0 40 EIAB COc1ccc2oc(C(=O)OCC(=O)c3ccc(C)s3)c(C)c2c1 7391827 QRUUGZXJFOKBQD-UHFFFAOYSA-N 344.388 4.159 0 40 EIAB Cc1noc(C)c1CCC(=O)Nc1nc2ccc(Cl)cc2s1 7399352 GTMKLGJLWBFGFH-UHFFFAOYSA-N 335.816 4.126 0 40 EIAB Cc1cc2ccccc2n1CC(=O)N(C)Cc1ccc(Cl)s1 7851072 KSPKWUHURPONOR-UHFFFAOYSA-N 332.856 4.323 0 40 EIAB C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 12949835 IGJROBULCVXYHC-IIDMSEBBSA-N 345.483 4.224 0 40 EIAB COc1cc(OC)cc(C(=O)Nc2cc(Cl)cc3cccnc23)c1 13020717 YLAJHKLNFVGMLS-UHFFFAOYSA-N 342.782 4.158 0 40 EIAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1Cl 13097265 DRVRAQWAVUPYEL-VMPITWQZSA-N 343.810 4.462 0 40 EIAB Cc1cnc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)s1 13726501 XUZASPCBZUEORM-UHFFFAOYSA-N 333.413 4.275 0 40 EIAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F 14573974 GAUFRVPUTKAKHS-VIFPVBQESA-N 329.268 4.475 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(Cl)c2)c1 18182105 SXGUVBMCOASEMI-NSHDSACASA-N 334.803 4.240 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C 20428229 QXNLYXJKQWJCTK-XJKSGUPXSA-N 344.480 4.339 0 40 EIAB Cc1ccc(-c2noc(COC(=O)c3cccc(Cl)c3)n2)cc1 21468530 FGHAGLHYZZGTTK-UHFFFAOYSA-N 328.755 4.055 0 40 EIAB CC(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 23118196 OFACVUHDAXSHOS-UHFFFAOYSA-N 345.402 4.205 0 40 EIAB O=C(c1ccnc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 31394098 LKHAGAGIKJRLAH-CYBMUJFWSA-N 343.839 4.322 0 40 EIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(F)cc1F 32930546 UDXSDDLDTDDYNM-UHFFFAOYSA-N 340.329 4.082 0 40 EIAB Cc1nc2cc(NC(=O)CCCc3nc4ccccc4o3)ccc2o1 33229920 CIJQCWRXQPRWIM-UHFFFAOYSA-N 335.363 4.239 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2ccsc2)C1 40284860 MRTGEBGYSNZANF-LLVKDONJSA-N 331.347 4.336 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 48065037 ZIBLVNHYRNFLDJ-BCNIOPEESA-N 342.395 4.047 0 40 EIAB O=C(NCCc1ccccc1Cl)NCc1ccc(Cl)s1 49397467 NQSFPMHMTDVQNS-UHFFFAOYSA-N 329.252 4.097 0 40 EIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)o1 55860389 UXMNHUXSFPHONR-AWEZNQCLSA-N 334.213 4.328 0 40 EIAB O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)COC3)cs1 61340508 UIPAKMSTBMPEJP-UHFFFAOYSA-N 342.445 4.083 0 40 EIAB CCn1ccc2cc(NC(=O)c3ccc4c(c3)nc(C)n4C)ccc21 65492838 CNPMGODMFUJMEX-UHFFFAOYSA-N 332.407 4.109 0 40 EIAB Cc1ccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)cc1 71326681 JJKHUCONXZTABB-UHFFFAOYSA-N 343.496 4.435 0 40 EIAB Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1 71614463 UVFUARMQEIEXRG-QGZVFWFLSA-N 339.483 4.327 0 40 EIAB CCN(CC)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72212933 OMNNCUXILXRLTK-LJQANCHMSA-N 337.467 4.295 0 40 EIAB CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3[nH]2)C[C@H]1C(C)C 72320794 WNQLIDNLDWFEJG-BZSNNMDCSA-N 339.483 4.096 0 40 EIAB biogenic,in-vitro COc1ccc(Br)cc1NC(=O)c1c(C)cccc1C 74721757 VQFBZTLVCDJERW-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cc(C)ccc1OC 76018463 DBTRXTHTBKIAQQ-CRAIPNDOSA-N 341.455 4.252 0 40 EIAB Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1nnc(C2CC2)o1 78702109 UCGYQLSZZKIEQE-DEOSSOPVSA-N 346.496 4.310 0 40 EIAB Clc1ccc(Oc2ccc(NCc3noc(C4CC4)n3)cc2)nc1 86211338 QGWIROFAMKQCSU-UHFFFAOYSA-N 342.786 4.400 0 40 EIAB Cc1c(NCc2nnsc2Cl)cccc1OCC(F)(F)F 89104626 FAGCSEPUFWMKBR-UHFFFAOYSA-N 337.754 4.053 0 40 EIAB Cc1ccc(-c2nc(N3CCCCC3)sc2CC(=O)O)cc1C 95097106 IXOFTWALZBCYLL-UHFFFAOYSA-N 330.453 4.044 0 40 EIAB Cc1csc(N2CCC(N[C@@H](c3ncccc3C)C(C)C)CC2)n1 95422481 UPGFNWZJPUPBFM-QGZVFWFLSA-N 344.528 4.111 0 40 EIAB Fc1ccccc1CN1CCC[C@]12CCCN(Cc1ccccc1)C2 96214670 RABOQESUFAVGDN-QFIPXVFZSA-N 338.470 4.456 0 40 EIAB Cc1csc(C(C)(C)NC(=O)Nc2cccc(OC(F)F)c2)n1 96407945 QCFXSQAWBCNXQW-UHFFFAOYSA-N 341.383 4.110 0 40 EIAB C1=C[C@@H]2[C@@H](C1)[C@@H]1C[C@@H]2[C@H](OCCO[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1 100197772 PSUKSRYRAXNSIY-HSYLMTHNSA-N 326.480 4.221 0 40 EIAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 102682214 VFLQXXOFHCXXCN-CWLKWCNXSA-N 339.822 4.132 0 40 EIAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1CC=CC[C@@H]12 103734871 CHFLANURWLKBDG-VVJJBPBLSA-N 344.065 4.230 0 40 EIAB CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580151 UFBTUTCUWJTLMO-VHSSKADRSA-N 339.464 4.070 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(C(C)C)c3)N21 222672648 PUBOYEXAIIQHAV-KBAYOESNSA-N 340.496 4.443 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cccc(C)c2)cc1 222755345 MROMGSHCTOSWMG-HXUWFJFHSA-N 341.451 4.286 0 40 EIAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1 224083619 GJYPGOMNPXSNTG-UHFFFAOYSA-N 347.414 4.204 0 40 EIAB CC(C)Sc1nnc(NC(=O)CCc2ccccc2Cl)s1 224565130 MDZGYXZVTJRLMH-UHFFFAOYSA-N 341.889 4.263 0 40 EIAB Cc1ccccc1[C@H](NC(=S)Nc1cccnc1)c1ccccc1 225507833 MCUAWHVUQJIXBI-LJQANCHMSA-N 333.460 4.466 0 40 EIAB COc1cc(CNC(=O)c2cc(C)ccc2C)ccc1OC(C)C 225744715 LKJDVFSGJSTFAE-UHFFFAOYSA-N 327.424 4.029 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1Cl 225791624 BOCYHXWSZMXLBZ-UHFFFAOYSA-N 331.799 4.386 0 40 EIAB CCc1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Cl)cc1 226357169 WUOOMSWQHVSGGY-UXBLZVDNSA-N 329.783 4.253 0 40 EIAB CC[C@@H](C(=O)NC[C@H](OC)c1cc2ccccc2o1)c1ccccc1 253471952 GSMVVIURQNOOSA-XLIONFOSSA-N 337.419 4.430 0 40 EIAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccco1 409174375 RPGNLXAIYZCXRV-UHFFFAOYSA-N 330.236 4.250 0 40 EIAB C[C@H](Cc1csc2ccccc12)NC(=O)COc1ccccc1F 575619297 CYJHKLCHIALUQC-CYBMUJFWSA-N 343.423 4.167 0 40 EIAB CSCc1cccnc1C(=O)N1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 602421367 KTEMUISDVGZOHI-WZRBSPASSA-N 346.418 4.136 0 40 EIAB CCOc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 288452 AEVBLTKXECJRSJ-UHFFFAOYSA-N 332.403 4.327 0 40 EIAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)cc1 354413 LJIMSBCRUOKKBY-GOSISDBHSA-N 328.799 4.046 0 40 EIAB CCc1cc2ccccc2nc1SCC(=O)NC1CCCCC1 410936 KZWBOTWDMWISMX-UHFFFAOYSA-N 328.481 4.338 0 40 EIAB Cc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 947350 GUMXURPMZUKHQN-UHFFFAOYSA-N 343.839 4.343 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1961917 XHHQYTOCCITLCJ-UHFFFAOYSA-N 338.190 4.097 0 40 EIAB Nc1cc(Br)cc2c1[nH]c1ccc(Br)cc12 2022162 GLRIZTUPBBCMQI-UHFFFAOYSA-N 340.018 4.428 0 40 EIAB Cc1cc2oc(=O)cc(CNc3cccc(C(F)(F)F)c3)c2cc1O 2118050 HGEKLFCDHMMMAX-UHFFFAOYSA-N 349.308 4.438 0 40 EIAB biogenic Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Cl)cc1)CO3 2118347 WKGKSOJFEIHFNI-UHFFFAOYSA-N 341.794 4.420 0 40 EIAB biogenic Cc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1 2120602 YIRBFJCGRFWUHN-UHFFFAOYSA-N 335.403 4.383 0 40 EIAB biogenic CSc1ccc(C(=O)c2cccc(CN3CCSCC3)c2)cc1 2515281 VMAKREGJKBTNRU-UHFFFAOYSA-N 343.517 4.188 0 40 EIAB CCCCC(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2635850 DHAAVCJVOXFSBF-UHFFFAOYSA-N 337.725 4.031 0 40 EIAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 2732466 ROXDPILKCIWEGL-UHFFFAOYSA-N 335.329 4.454 0 40 EIAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CC1 2753149 ZKSBQIQIUBWLNO-UHFFFAOYSA-N 335.812 4.204 0 40 EIAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1ccccc1 3173699 JHOJZPYNFCXTFQ-GDNBJRDFSA-N 344.823 4.446 0 40 EIAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3422941 VGYOAOFSANRDBX-UHFFFAOYSA-N 335.762 4.089 0 40 EIAB Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1F 3602778 KBQVSALZBNODHQ-UHFFFAOYSA-N 332.425 4.475 0 40 EIAB Cc1ccc(C)c(CSc2ccc3nnc(-c4cccnc4)n3n2)c1 4327803 AATQPQPHHPJRIB-UHFFFAOYSA-N 347.447 4.095 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)c1 4987325 KEVGPECOGQOVSG-UHFFFAOYSA-N 342.395 4.468 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c1 5357705 XJTWUPZCJAQVEB-UHFFFAOYSA-N 325.437 4.219 0 40 EIAB O=C([C@H](Sc1nc2ccccc2o1)c1ccccc1)N1CCCC1 5457721 YITZIYJDVOPITE-QGZVFWFLSA-N 338.432 4.284 0 40 EIAB CCOc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 6333457 XPZCAOZAOVPESA-GOSISDBHSA-N 326.465 4.449 0 40 EIAB Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 6702585 WWTDMKKIOKFACC-UHFFFAOYSA-N 328.799 4.249 0 40 EIAB Cc1cc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2cc1C 6811376 CSQSHBROHRDRNI-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1C 7382203 PNDBQEAVQWEQRG-UHFFFAOYSA-N 327.472 4.344 0 40 EIAB COc1cc(/C=C(\Cl)c2nc3ccccc3o2)cc(OC)c1O 7914461 ZDMWDWDJZFXATJ-XFFZJAGNSA-N 331.755 4.288 0 40 EIAB CN(C)CCCNCc1c(OCc2ccccc2)ccc2ccccc12 8373821 BIFFSOMUKJCBFJ-UHFFFAOYSA-N 348.490 4.460 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 8479450 JBDQABRLBFLEPD-SIHNGCNOSA-N 327.468 4.156 0 40 EIAB Cc1ccc2c(O)c(CN3CCc4ccccc4C3)c(C)nc2c1C 8717569 LEJVYFXIWBOEMS-UHFFFAOYSA-N 332.447 4.424 0 40 EIAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)CC(C)(C)C3 10156944 ZXLCHFQVAZNTRU-UHFFFAOYSA-N 334.423 4.070 0 40 EIAB Cc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)s1 10647531 RVIIMOOSSDFTAJ-UHFFFAOYSA-N 334.784 4.117 0 40 EIAB O=C(Cc1nc(-c2ccc3c(c2)CCC3)cs1)NCc1ccccc1 12799145 KPEIMSQLZKJMSX-UHFFFAOYSA-N 348.471 4.158 0 40 EIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 12864871 YIBGTUVYJUJYCZ-UHFFFAOYSA-N 340.814 4.190 0 40 EIAB CSc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12917477 FYYXBPPNZHIDMM-UHFFFAOYSA-N 339.420 4.383 0 40 EIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCc2ccccc21 14116031 SDHMKESWJKKAAT-UHFFFAOYSA-N 338.407 4.081 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 14483381 AARVKBUSCXXWAO-VIFPVBQESA-N 338.190 4.213 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc3ccc(C)nc23)cc1OC 15835313 FZQXTSJXCIJQTI-FMIVXFBMSA-N 348.402 4.212 0 40 EIAB biogenic Cc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccco3)nc21 15842223 NWPMMTYSNPYNCD-UHFFFAOYSA-N 343.390 4.253 0 40 EIAB COc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20141406 XSLMMHNVPIOUTL-UHFFFAOYSA-N 337.375 4.008 0 40 EIAB CCCCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20141506 GMHVLXKXAFBWKC-UHFFFAOYSA-N 347.798 4.469 0 40 EIAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(C(F)(F)F)c1 21556156 YIWGMBRZBFFJFC-UHFFFAOYSA-N 326.318 4.055 0 40 EIAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 21795045 NEXANOVJPQWMSA-LLVKDONJSA-N 341.436 4.297 0 40 EIAB C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(F)c(F)c1F 22468850 RXCANFKSVMQLDA-NSHDSACASA-N 348.368 4.422 0 40 EIAB O=C(c1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1 25049991 LOBWLOMYEPUQKL-UHFFFAOYSA-N 327.399 4.016 0 40 EIAB Cc1ccc(NCc2cc(=O)oc3c(C)c(O)ccc23)cc1Cl 25424957 HPYIAJVFDVDHDZ-UHFFFAOYSA-N 329.783 4.381 0 40 EIAB Cc1cccc(N2CCN(Cc3cc(F)cc4cccnc34)CC2)c1 25931010 SMBHHJGDBRFBKX-UHFFFAOYSA-N 335.426 4.005 0 40 EIAB Cc1nc2c(-c3ccccc3)cnn2c(N2C[C@@H](C)C[C@@H](C)C2)c1C 27586156 HBIGQIPIHYPEGW-GASCZTMLSA-N 334.467 4.495 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)cc1OC 30853826 AFLMMZFENAMOCA-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38833771 SVWALLMTQFUFIT-HNNXBMFYSA-N 346.833 4.330 0 40 EIAB C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(Br)c1 40093954 DJCRJGOWIMOEQL-LLVKDONJSA-N 343.224 4.421 0 40 EIAB CCCCc1nc(C)c(C(=O)Nc2cccc(-c3nnco3)c2)s1 46695211 WZVREMRBOSFXDA-UHFFFAOYSA-N 342.424 4.096 0 40 EIAB O=C(NCCc1ccc(F)cc1)NCc1cc2cc(F)ccc2s1 48303543 BQJLCCZAXROVJB-UHFFFAOYSA-N 346.402 4.221 0 40 EIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCC1=CCCCC1 48344245 NWYMOEXAUNXVQE-UHFFFAOYSA-N 341.455 4.356 0 40 EIAB Cc1nc2cc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)ccc2o1 56255978 JKEBDLINBRXBDG-NWDGAFQWSA-N 326.318 4.443 0 40 EIAB COC(=O)c1sc(N(C)Cc2c(F)cccc2Cl)nc1Cl 58401901 WTMWVOQXTBROFC-UHFFFAOYSA-N 349.214 4.012 0 40 EIAB COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1OC(F)F 58598282 MNWYKZBXCLKWTO-OAHLLOKOSA-N 347.361 4.056 0 40 EIAB O=C(CCc1ccc2ccccc2c1)N1CCO[C@H](c2ccccc2)C1 71817138 AMFDIJVKTTYNFK-QFIPXVFZSA-N 345.442 4.373 0 40 EIAB C[C@H](c1cccc(O)c1)N(C)c1nc(C(F)F)nc2ccccc12 72307696 CDJLQWPQOZDEGY-LLVKDONJSA-N 329.350 4.470 0 40 EIAB Cc1ccccc1[C@@H](C)NC1CCN(C(=O)c2ccccc2F)CC1 95420274 ICODDEFJFQOLJS-MRXNPFEDSA-N 340.442 4.090 0 40 EIAB CN(C(=O)c1cc2ccccc2s1)[C@H](CCO)c1ccccc1 95426762 OTIBNDRZLGDPHB-MRXNPFEDSA-N 325.433 4.097 0 40 EIAB Cc1csc([C@@H](C)CNC(=O)Nc2cccc(C(F)F)c2)n1 96502780 JTAMZKQOSBEYNB-VIFPVBQESA-N 325.384 4.314 0 40 EIAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccccc1 100142697 BTKMMJHOCAAXKY-SJLPKXTDSA-N 346.478 4.289 0 40 EIAB CC(=O)/N=c1\scc(-c2ccccc2)n1-c1ccc(Cl)cc1 100840855 YBPNADQFOKHYCU-ZPHPHTNESA-N 328.824 4.306 0 40 EIAB Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)o1 102199425 QQTRQHNUZMDVQA-YLQAJVPDSA-N 336.428 4.057 0 40 EIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 113968943 BDUBCTSQDKEPDI-LJQANCHMSA-N 327.424 4.444 0 40 EIAB CN1N(C)C12CC[C@]1(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3CC[C@@H]1C2 118919244 SXXLVVHRVNMRJU-AEAGTAFRSA-N 346.559 4.269 0 40 EIAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118935579 YATPIFKIZZKJFX-VJKOAXELSA-N 334.500 4.322 0 40 EIAB C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(F)c1 174024666 RVFIKDIZCBTWMC-HNNXBMFYSA-N 349.409 4.324 0 40 EIAB COc1ccc(C(=O)O[C@@H](C)c2ccc3c4c(cccc24)CC3)cc1N 216850733 KDIFIIHYWPTSNR-ZDUSSCGKSA-N 347.414 4.447 0 40 EIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 222780360 OUDVXPYTJOESBQ-ZWKOTPCHSA-N 342.512 4.073 0 40 EIAB CCCc1ccc(OCCNC(=O)CCc2ccc(C)cc2)cc1 224038861 RQYVCBVIIXROFS-UHFFFAOYSA-N 325.452 4.075 0 40 EIAB CCCOCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 224412250 NKNVQUVMHRDTEF-UHFFFAOYSA-N 327.424 4.491 0 40 EIAB CCCOCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC 224712174 NAELQCWKHKNIRD-UHFFFAOYSA-N 345.414 4.081 0 40 EIAB Cc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1 225777767 NYHMXJJVGKQVOD-UHFFFAOYSA-N 335.498 4.166 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 225917182 OBTXJAWDOITCOF-MRXNPFEDSA-N 346.434 4.328 0 40 EIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc(C(F)(F)F)c1 238815090 BGIYQJXHJVNIPD-GFCCVEGCSA-N 349.352 4.001 0 40 EIAB CC[C@H](C(=O)N1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2)c1ccccc1 244933228 CIFIUKWHRADVGO-FKBYEOEOSA-N 348.490 4.056 0 40 EIAB C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)CCC(F)(F)F 252481211 CIMLFMCIULDKCD-PPRQPISWSA-N 334.281 4.347 0 40 EIAB Cc1cc(C)nc(N(C)Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257306022 SSNKZMLFDNXYOU-UHFFFAOYSA-N 347.418 4.095 0 40 EIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cc(Cl)ccc1C)C2 409198467 AXCVHFYBFUXPFS-UHFFFAOYSA-N 328.843 4.220 0 40 EIAB Cc1ccc(-c2cc3ncc(C(=O)Nc4ccccc4)c(C)n3n2)cc1 409227684 ZSKBDQBEWWWKNU-UHFFFAOYSA-N 342.402 4.265 0 40 EIAB COc1ccc(C(=O)NCc2ccc(-c3cccs3)o2)cc1F 575609311 SMDGLWLPCGTCKO-UHFFFAOYSA-N 331.368 4.086 0 40 EIAB CN(C)[C@H](CNC(=O)Nc1cccs1)c1csc2ccccc12 1565519563 IDIIJNCWNDPQSA-CQSZACIVSA-N 345.493 4.387 0 40 EIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)NCC2 34542 IKUQDTRLGIRQET-OAQYLSRUSA-N 325.452 4.282 0 40 EIAB biogenic CC1(C)Cc2c(ccc3ccccc23)-c2nnc(-c3cccnc3)n21 73333 ATRRAPIPZNCYTR-UHFFFAOYSA-N 326.403 4.452 0 40 EIAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1 1369695 OUDSDUSDOYPVJM-OALUTQOASA-N 343.540 4.138 0 40 EIAB C[C@@H](NC(=S)Nc1ccccc1)[C@H](c1cccs1)N1CCCC1 3211494 FXPQNIMLKQBNIY-RHSMWYFYSA-N 345.537 4.260 0 40 EIAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1F 5628492 UORGQPRNAOACOW-UHFFFAOYSA-N 335.791 4.086 0 40 EIAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(C(F)(F)F)c1 7053706 KCRPALGHSXYHRH-MDZDMXLPSA-N 327.327 4.118 0 40 EIAB c1ccc(Nc2nnc(Sc3ncnc4sccc34)s2)cc1 7272375 VQWPONUZDUJUBE-UHFFFAOYSA-N 343.462 4.438 0 40 EIAB COC(=O)c1ccc(OCc2csc(-c3ccsc3)n2)cc1 7549833 HLBDSBVOWPNPQN-UHFFFAOYSA-N 331.418 4.237 0 40 EIAB O=C(/C=C/c1ccccc1)NCc1ccccc1CN1CCCCC1 7849878 ZJLKJVCUQCYFJT-BUHFOSPRSA-N 334.463 4.002 0 40 EIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882484 NWOKNSZAAGDCFO-KRWDZBQOSA-N 344.414 4.140 0 40 EIAB O=C(Cc1ccsc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 8013766 VVMQPWFSIGUDKG-UHFFFAOYSA-N 333.416 4.473 0 40 EIAB COc1ccc([C@H](C(C)C)N(C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 8992642 GQALBBCARRXNIU-MJGOQNOKSA-N 333.472 4.198 0 40 EIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C)cc1 9764304 FPVIINFHFKYRCA-LJQANCHMSA-N 347.414 4.365 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c2c1[C@H](C)CC2=O 11052538 QYGOSPPRVAUKEV-GFCCVEGCSA-N 343.810 4.356 0 40 EIAB COc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)cc(OC)c1 13789868 APARXOIFRHNNDZ-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB C[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 16694735 UOUNBQFJJVKJJQ-GJZGRUSLSA-N 347.462 4.214 0 40 EIAB O=C(CSc1nnc(-c2cccs2)o1)c1ccccc1Cl 19809912 MUCRJUJLWQMXEY-UHFFFAOYSA-N 336.825 4.427 0 40 EIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 19932108 SSZJFCYXHMQUOE-DLBZAZTESA-N 341.451 4.265 0 40 EIAB Cc1c2c(nc3nc4ccccc4n13)C[C@H](c1ccccc1)CC2=O 20635326 MZKOKRBLEXEXNI-HNNXBMFYSA-N 327.387 4.104 0 40 EIAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccccc3)no2)c(C)c1 21122322 OTJWMSBXNACULD-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(N(C)C)nc4)cc3c2C1 22394418 UEPIHJPMYHESNF-ZDUSSCGKSA-N 348.450 4.006 0 40 EIAB COCc1c(C(=O)NCC2CCCCC2)sc2cccc(F)c12 24750891 NBPDVACKGHVCOR-UHFFFAOYSA-N 335.444 4.497 0 40 EIAB COc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 27662318 FZCVFYPFDGONJQ-UHFFFAOYSA-N 336.366 4.076 0 40 EIAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3ccccn3)cc2C1 28200044 KUDKPBJJUALESX-AWEZNQCLSA-N 328.481 4.224 0 40 EIAB Cc1ccc2nc(COC(=O)c3cc4c(s3)CC[C@H](C)C4)cn2c1 32829929 ICQLILBKEXORHS-LBPRGKRZSA-N 340.448 4.186 0 40 EIAB Cc1nnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)s1 36093652 GAEAFGOIRINUFV-UHFFFAOYSA-N 329.425 4.206 0 40 EIAB Cc1cc(C(=O)NCc2csc(Br)c2)sc1C 40090946 MYNGSUWTRZHSBN-UHFFFAOYSA-N 330.272 4.119 0 40 EIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccsc3)cn2)c1 40112483 WNEMIJBMLGHHTO-UHFFFAOYSA-N 338.432 4.482 0 40 EIAB O=C(NCc1ccccc1F)Nc1ccc(SC(F)F)cc1 43119252 FBIVALMMYDRIPT-UHFFFAOYSA-N 326.343 4.462 0 40 EIAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2)cc1OC 44845738 DFVOWOLAPOEHAY-LLVKDONJSA-N 334.803 4.240 0 40 EIAB Cc1nc(S[C@@H](C)c2ccc3ccccc3c2)sc1CC(N)=O 56282390 NQVHLXSKOSRCJC-LBPRGKRZSA-N 342.489 4.486 0 40 EIAB CC[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765046 XNAUEVCDBCHEEA-JTQLQIEISA-N 335.791 4.105 0 40 EIAB O=C(c1ccccc1)c1cccc(NC(=O)c2cc(F)ccc2F)c1 60345869 YSTNINQWJJGAPV-UHFFFAOYSA-N 337.325 4.448 0 40 EIAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(N2CCCC2)CC1 68365308 SSXCCRLFCJWDGE-UHFFFAOYSA-N 334.463 4.054 0 40 EIAB Cc1ccc(-n2n3c4ccc(C)cc4n23)c(NC(=O)c2ccccc2)c1 68591657 MUDPMAMMKHIVTK-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB Cc1csc(-c2ccc(NC(=O)N[C@H](C)c3cccnc3)cc2)n1 69973211 IBMHWNQPWUZVFD-CYBMUJFWSA-N 338.436 4.396 0 40 EIAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 71842122 CVTBASIDJAHXSE-XZJROXQQSA-N 334.341 4.081 0 40 EIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(COC)n1 71844368 JEVLESHCHHKJEU-WBVHZDCISA-N 344.480 4.088 0 40 EIAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCc1ccccc1 76556364 DCUNGYXEKXGPNM-FQEVSTJZSA-N 347.462 4.353 0 40 EIAB Cc1ccoc1C(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 77649174 WLPWEQVHEPWFHD-UHFFFAOYSA-N 326.783 4.483 0 40 EIAB C[S@@](=O)Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl 79361071 FQXFYMIMRNAKOP-NRFANRHFSA-N 342.247 4.124 0 40 EIAB Cc1nn(C(=O)OC(C)(C)C)c2cc(F)c(Br)cc12 85220987 HWXUZPRTYBBNCH-UHFFFAOYSA-N 329.169 4.030 0 40 EIAB in-vitro COCCn1ccc2ccc(C(=O)Nc3cccc4c3ccn4C)cc21 85875638 MJBNJRLNSZLSNQ-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB biogenic C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@@H]1COc2ccccc21 89894421 OIISKFOLMPAOMA-DYVFJYSZSA-N 349.390 4.028 0 40 EIAB COCCCSc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 95412336 JYCBNVOXWYORJT-UHFFFAOYSA-N 334.485 4.223 0 40 EIAB COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1Cn1cccn1 95419417 SCIFRFILUMUNJU-JKSUJKDBSA-N 339.439 4.253 0 40 EIAB Cc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 98212247 VFMUKYDJVWWHEI-QGZVFWFLSA-N 333.391 4.022 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)Nc2ccc3nsnc3c2)C1 100622522 URZQTEXSTRQXIB-PXAZEXFGSA-N 346.525 4.289 0 40 EIAB CCCNC(=O)OC[C@]12CO[C@H](c3ccco3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100742384 RHJNFYSWNCBAHO-XCHKZZJKSA-N 347.455 4.322 0 40 EIAB biogenic Cc1nn2c(=O)c(Cl)c(-c3ccccc3)[nH]c2c1-c1ccccc1 101311686 RDFMGIUOQOIHAA-UHFFFAOYSA-N 335.794 4.318 0 40 EIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c(Cl)c1 191529310 AJZGTHAKESTMSZ-UHFFFAOYSA-N 330.815 4.039 0 40 EIAB CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl 206849626 AWSHOFAAOHZBHF-NSHDSACASA-N 330.236 4.172 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCCc2cccc(OC(C)C)c2)c1 219275659 FLKIGLUJRQXVLY-UHFFFAOYSA-N 339.479 4.382 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224189286 XMEJUUMAFIKGJW-UHFFFAOYSA-N 341.451 4.421 0 40 EIAB Cc1ccc(OCCNC(=O)COc2cccc3ccccc23)c(C)c1 224258166 IQWYQABTZNGJHY-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB CCS[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cc(C)oc2C)o1 225549290 BAXFOZYYYZSFLH-LSDHHAIUSA-N 335.473 4.100 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)COc1cccc2ccccc12 225643457 GYFXIPAGCRMYNS-UHFFFAOYSA-N 333.431 4.356 0 40 EIAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 225651209 DTCYEZYKNOOIAM-QGZVFWFLSA-N 339.435 4.344 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)C3CCCCC3)cc2)no1 226098280 GEJYJJWZQZAJEA-UHFFFAOYSA-N 327.428 4.303 0 40 EIAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409022972 AFWAGDODRLUESN-LFIBNONCSA-N 326.421 4.230 0 40 EIAB Cc1ccc(NC(=O)C2(Oc3ccc(Cl)cc3)CC2)c2[nH]ncc12 550267303 YDMBMGIMZCJQKG-UHFFFAOYSA-N 341.798 4.075 0 40 EIAB CC(C)C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)n1cccc1 575443292 VGGQUEZWKJOJRR-IBGZPJMESA-N 341.430 4.055 0 40 EIAB O=C(CCc1ccccc1F)NCCc1ccc(-c2ccco2)s1 2086896662 JRBVIFHAARHPEJ-UHFFFAOYSA-N 343.423 4.439 0 40 EIAB Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)o2)c1 356524 FCHGRFYDVWWGLD-UHFFFAOYSA-N 330.384 4.388 0 40 EIAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1O 366545 WJKABZNHAAESOI-UHFFFAOYSA-N 336.210 4.440 0 40 EIAB COc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1 418980 NNBVZMDRXKUPNH-UHFFFAOYSA-N 330.434 4.157 0 40 EIAB O=c1oc2ccccc2cc1-c1cn(-c2ccccc2F)c(=S)[nH]1 424426 NJCXKYHGXFAQSF-UHFFFAOYSA-N 338.363 4.447 0 40 EIAB Cc1cccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)c1 429428 NMTFTTBQQRSPFK-UHFFFAOYSA-N 338.476 4.357 0 40 EIAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1OC 484839 RCWBQMVHILNBKW-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1cc2ccccc2n2c(SCC(=O)c3ccccc3)nnc12 1223170 ULHKRGQMIFVYST-UHFFFAOYSA-N 333.416 4.166 0 40 EIAB CCCCNC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2760086 BEHNNGRZTUDWLJ-UHFFFAOYSA-N 338.473 4.114 0 40 EIAB CCCCCOc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21 5234397 VWPPIRVFQCBREY-UHFFFAOYSA-N 337.419 4.294 0 40 EIAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1Cl 5442280 OHBASMIWBHIDHN-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB Cc1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)o2)cc1 5862361 GGPYUGZORBERLU-UHFFFAOYSA-N 336.420 4.293 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 6649320 CIYDZBZLQDZAQP-JLHYYAGUSA-N 340.398 4.008 0 40 EIAB COc1ccccc1[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 7777105 BLYZWPBWFYOIJH-CQSZACIVSA-N 332.407 4.373 0 40 EIAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc12 8193248 OOUAWZOTOFRUPG-UHFFFAOYSA-N 349.386 4.262 0 40 EIAB COc1c(C)cccc1C(=O)Nc1ccc(Br)cc1C 9141678 RRKXYYQULWXRHW-UHFFFAOYSA-N 334.213 4.327 0 40 EIAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccc(F)cc1 9419249 NWEIRXAOEJCOEW-UHFFFAOYSA-N 337.354 4.007 0 40 EIAB Nc1nc(SCc2coc(-c3cccs3)n2)nc2sccc12 9737271 ORMTYBUFIPPTJE-UHFFFAOYSA-N 346.462 4.282 0 40 EIAB CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2Oc2ccccc21 9827791 XGLOYZJCVCOCBP-UHFFFAOYSA-N 336.391 4.198 0 40 EIAB O=C(CCC(=O)c1ccccc1)N[C@@H]1CCSc2ccccc21 10027984 JEHNRAPAEFVVCF-MRXNPFEDSA-N 325.433 4.003 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 10363875 ZIXOUAGKWPMELK-UHFFFAOYSA-N 338.451 4.096 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)COc2cccc3ccccc23)cc1 11171849 HIKREFCFNZUVAQ-MRXNPFEDSA-N 349.430 4.495 0 40 EIAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc(F)c(F)c1 12422190 FBTNEHCNZKNVNT-UHFFFAOYSA-N 348.736 4.454 0 40 EIAB O=C(NCCc1cccs1)c1ccc(-n2cnc3ccccc32)cc1 12548065 LAEIRLCINPOCLO-UHFFFAOYSA-N 347.443 4.060 0 40 EIAB COc1ccc([C@H](CNc2ncccn2)c2c[nH]c3ccccc23)cc1 12783019 CQYVJCAPFFOWHS-SFHVURJKSA-N 344.418 4.211 0 40 EIAB FC(F)Oc1ccc(NC(=S)Nc2cccnc2)cc1Cl 12970499 HNBIMJWQNPABQA-UHFFFAOYSA-N 329.759 4.145 0 40 EIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 13613392 AKOPHIXFWJTABE-HNNXBMFYSA-N 331.843 4.165 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CCSc2ccccc2)c1C 13674367 AXXKYUFXVMJBIN-UHFFFAOYSA-N 343.448 4.293 0 40 EIAB CCCCc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1 14258089 WQVVIHCSYZSOGH-UHFFFAOYSA-N 336.439 4.358 0 40 EIAB Clc1ccc(-c2nc(-c3ccncc3)ncc2-c2ncc[nH]2)cc1 19336464 UXAYDLAOXJPODP-UHFFFAOYSA-N 333.782 4.249 0 40 EIAB CC(C)[C@H](NCc1ccccc1)[P@](=O)(O)CCc1ccccc1 20150120 JOJGDPRZXONZIQ-LJQANCHMSA-N 331.396 4.271 0 40 EIAB CCOC(=O)C[C@H](NCc1ccccc1Cl)c1ccc(C)cc1 20506628 VZSKCKDLKFJZKZ-SFHVURJKSA-N 331.843 4.433 0 40 EIAB O=C(COc1ccccc1Cl)Nc1cc(-c2ccc(F)cc2)no1 27990654 FNCFRQCZXOZSEU-UHFFFAOYSA-N 346.745 4.152 0 40 EIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c(F)cccc1F 32983735 CDZNMFLHXPNYBK-UHFFFAOYSA-N 331.318 4.259 0 40 EIAB Cc1cc2nc(C)n(CC(=O)N(c3ccccc3)C(C)C)c2cc1C 35167713 QUBOFNWGXQEEHC-UHFFFAOYSA-N 335.451 4.403 0 40 EIAB COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1OC 44816092 NMCPXHILOVVYAY-NEPJUHHUSA-N 331.334 4.011 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1OCCc1ccccc1 49546354 QMPYEMIMAYXZPR-KRWDZBQOSA-N 347.418 4.165 0 40 EIAB CCC[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 49580935 YLVRXFAZJKATJO-INIZCTEOSA-N 341.842 4.208 0 40 EIAB CN(C(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CCCCCC1 56457975 NICJJSFFKFPUAH-UHFFFAOYSA-N 348.450 4.191 0 40 EIAB CCc1ccc2c(CN3CCC[C@@H](C(F)(F)F)C3)cc(=O)oc2c1 57331993 RQLCJMXCMZBSRP-CQSZACIVSA-N 339.357 4.130 0 40 EIAB O=C(NCCOc1ccc2oc3ccccc3c2c1)c1ccccc1O 59474420 RJVWEYACJAOXFQ-UHFFFAOYSA-N 347.370 4.100 0 40 EIAB CC(C)(C)OC(=O)NC1(c2ccccc2Br)CCC1 64034145 NKLDEQGIFGBDMD-UHFFFAOYSA-N 326.234 4.353 0 40 EIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1 65496042 RVEZHVDNUUIBDP-DLBZAZTESA-N 327.449 4.051 0 40 EIAB Cc1nnc(Sc2ccc(NC(=O)CC(F)(F)F)c(C)c2)s1 69595898 HYMLPOZVZAFCKS-UHFFFAOYSA-N 347.387 4.197 0 40 EIAB COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 69634193 YOUJNCCSXNCLGF-INIZCTEOSA-N 341.451 4.211 0 40 EIAB COc1cc(C)c([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72218046 AOILNUMYFIHIKY-SFHVURJKSA-N 340.423 4.262 0 40 EIAB CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288649 DUQDHHJTGJMBOK-BLLLJJGKSA-N 331.847 4.440 0 40 EIAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCc2ccccc21 89894193 MCOOMDYSXOTRCU-WBMJQRKESA-N 325.374 4.296 0 40 EIAB CCCC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1 89949379 LQNDGPZASZOKLW-UHFFFAOYSA-N 336.395 4.087 0 40 EIAB CC(=O)NC(C)(C)c1noc(-c2sc3sccc3c2Cl)n1 95396913 GUUYINMMSTXJCA-UHFFFAOYSA-N 341.845 4.037 0 40 EIAB CC1(C)CN(C(=O)c2cccnc2Nc2cccc(F)c2)C1(C)C 95406075 GVVDPNIAGLJMGD-UHFFFAOYSA-N 327.403 4.225 0 40 EIAB c1csc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)c1 96046523 KETKWVYJXFCKSA-UHFFFAOYSA-N 332.538 4.298 0 40 EIAB CO[C@@H]1CCCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 96122498 LKXRXDDVIQXSDN-GOSISDBHSA-N 343.402 4.085 0 40 EIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)C1 100746615 MHXKZCNHVYKVPQ-ZQEFQCJFSA-N 331.500 4.199 0 40 EIAB Cc1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2C)c1 138836004 SFIVQDWMYMDILS-MRXNPFEDSA-N 328.481 4.366 0 40 EIAB O=C(/C=C/c1ccccc1Cl)NC[C@H]1CCCN1c1ccccc1 207991010 JGSYMKHPEZKPPA-QFQMRYFISA-N 340.854 4.138 0 40 EIAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc32)cc1 216214997 KDSSEBLOISMXHT-IOMROCGXSA-N 346.474 4.168 0 40 EIAB COc1ccccc1CC(=O)N1CCS[C@@H](c2cccs2)CC1 219512022 HGRRNNORASSIPD-QGZVFWFLSA-N 347.505 4.006 0 40 EIAB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223464383 WCICPSHMGLYIMY-DLBZAZTESA-N 341.451 4.265 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2C)cc1Cl 224389440 IEQFCATXMOGINK-UHFFFAOYSA-N 345.826 4.315 0 40 EIAB CCOc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225430608 VNOYFMRPDLBTCX-UHFFFAOYSA-N 338.835 4.364 0 40 EIAB COc1cccc(CCCNC(=S)Nc2cc(C)ccc2C)c1 225552276 PFPJDFVISVHASR-UHFFFAOYSA-N 328.481 4.231 0 40 EIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(F)c1 225703384 QWPWSCPLKQBURJ-KRWDZBQOSA-N 330.428 4.198 0 40 EIAB CCCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OC 225787591 AKABHUZGBJZXBQ-UHFFFAOYSA-N 333.428 4.171 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCC[C@@H](C)C1 226329945 PQXDAANCHYDLGE-CYBMUJFWSA-N 341.430 4.205 0 40 EIAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2N)cc(C)c1Cl 226359291 DVSBCELCFQBSRW-UHFFFAOYSA-N 339.222 4.210 0 40 EIAB Cc1ccc(Oc2ccccc2)c(NC(=O)c2oc(CO)cc2C)c1 330032257 KBRGLXWPROJFBF-UHFFFAOYSA-N 337.375 4.433 0 40 EIAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2CC1CCCCC1 585108923 DYQITXZYUGLBKX-UXPWSPDFSA-N 326.484 4.003 0 40 EIAB C[C@H](CSCc1ccccc1)C(=O)Nc1ccc2c(c1)CCOC2 598228586 XCOIBWGGDPYHCK-OAHLLOKOSA-N 341.476 4.267 0 40 EIAB O=P(O)(O)CCCCCCCCCCCC[n+]1ccccc1 627276225 JFPPDQWUKJMEOB-UHFFFAOYSA-O 328.413 4.053 0 40 EIAB Cc1oc(-c2ccccc2)nc1CCNC(=O)C[C@@H]1CCC(F)(F)C1 1615542162 MFIPYXZSRTWDBL-AWEZNQCLSA-N 348.393 4.134 0 40 EIAB CCCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 1889065070 KZTJEBRRJIEEDL-UHFFFAOYSA-N 337.394 4.480 0 40 EIAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CC 149460 WPYWRGMVZKLMRL-UHFFFAOYSA-N 347.436 4.339 0 40 EIAB O=c1c(Cl)c(SCc2ccccc2)cnn1-c1ccccc1 153085 SRBNYWJSFPWEON-UHFFFAOYSA-N 328.824 4.178 0 40 EIAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 270079 IMRXUDBZTAXAGF-HOTGVXAUSA-N 335.513 4.401 0 40 EIAB CSc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 2506041 KXCXXUVXXCZKDM-UHFFFAOYSA-N 333.420 4.281 0 40 EIAB CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@H](C)C2 4108126 YQLRGSDCFZFTHG-CYBMUJFWSA-N 346.521 4.023 0 40 EIAB Cc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)cc1 4129988 HODJFJGALJZTKL-UHFFFAOYSA-N 346.821 4.477 0 40 EIAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1 4496598 NJJNBIPAYOHIAA-UHFFFAOYSA-N 349.799 4.104 0 40 EIAB COc1ccc(-c2nn3c(CC(C)C)nnc3c3ccccc23)cc1 5202888 YJVKBXDMMLGPLK-UHFFFAOYSA-N 332.407 4.152 0 40 EIAB O=C1Oc2ccccc2[C@@H]2ON=C(c3c(Cl)cccc3Cl)[C@@H]12 5379456 PYWVDDLPQZNQMF-HIFRSBDPSA-N 334.158 4.004 0 40 EIAB Clc1cccc(Oc2nc3ccccc3n3cnnc23)c1Cl 5427101 SSAVLERLRZNVDO-UHFFFAOYSA-N 331.162 4.377 0 40 EIAB C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)c1ccccc1 5495711 CGZUGJGJUVSIIS-POCHDABASA-N 349.474 4.189 0 40 EIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 5860870 JSKYOWKJAQRQFH-NSHDSACASA-N 348.855 4.418 0 40 EIAB CN(C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 6356968 BSUZRRRWQJRWOS-OAQYLSRUSA-N 339.479 4.358 0 40 EIAB c1ccc(OCCNc2nc(-c3cccnc3)nc3ccccc23)cc1 6557939 ZDCLEKOSUUOVQA-UHFFFAOYSA-N 342.402 4.183 0 40 EIAB CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Br)cc1 6745741 BXLVNEIJRLYWBP-MRXNPFEDSA-N 345.240 4.291 0 40 EIAB COc1cc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc(OC)c1 6908276 NGCRIRFCPKDDLV-DHDCSXOGSA-N 342.782 4.090 0 40 EIAB CC(=O)Nc1ccc(OCc2cc3ccccc3nc2Cl)cc1 7427122 XYJFRUSMUPBCDE-UHFFFAOYSA-N 326.783 4.426 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H]2CCCc3ccccc32)c1C 7546173 RJVYRMJVTMHWHI-KBXCAEBGSA-N 338.451 4.073 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)n1 7984504 YPTBZVSFDMRBOL-UHFFFAOYSA-N 340.810 4.500 0 40 EIAB O=C(NCCCCCc1nc(-c2cccs2)no1)C1CCCCC1 8013426 ORHGEPIYIQRHBT-UHFFFAOYSA-N 347.484 4.207 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCCC2)c(C)c1 8041750 UXNGJKLAONEISB-MRXNPFEDSA-N 335.513 4.253 0 40 EIAB C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1cc2ccccc2o1 8070181 FRTMSCHHWFRYKM-LLVKDONJSA-N 347.773 4.482 0 40 EIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 8493570 XGWZRDGEUOSWRG-NSHDSACASA-N 339.313 4.120 0 40 EIAB C[C@@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1Cl 8535108 VKAXJGOCJWWCEA-GFCCVEGCSA-N 340.250 4.043 0 40 EIAB CCN(Cc1cccs1)C(=O)/C=C/c1nc2ccccc2s1 9453408 ZOUDPSFQONLBHJ-MDZDMXLPSA-N 328.462 4.420 0 40 EIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cncn1-c1ccccc1 11572318 BDYNGAQJAPFDDG-UHFFFAOYSA-N 346.434 4.033 0 40 EIAB Cc1ccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)o1 12184745 YABYLKIZNLMCIT-UHFFFAOYSA-N 349.419 4.176 0 40 EIAB Cc1cc2c(nc1C)sc1c(SCCN3CCCC3)ncnc12 12391808 GCUZDZJCVFTZCC-UHFFFAOYSA-N 344.509 4.044 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1ccccc1OC[C@H]1CCCO1 12748128 SSZXGPWMHWPPJN-OAHLLOKOSA-N 331.799 4.150 0 40 EIAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)c(O)c1 12985974 MKYPWEJNQKZQMS-UHFFFAOYSA-N 330.434 4.446 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494950 SQDPXVGFRWFMAE-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc2cccnc12 14200120 CLAFAVPYUPPRGV-UHFFFAOYSA-N 344.414 4.325 0 40 EIAB CC(C)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl 21596339 AGKMDTSGCUBYPE-UHFFFAOYSA-N 325.648 4.116 0 40 EIAB CCOc1c(Cl)cc(Cl)cc1CNC[C@H](O)c1ccccc1 22074802 QXIFEMKKYSHHBY-INIZCTEOSA-N 340.250 4.215 0 40 EIAB O=Cc1ccccc1OCc1nc(-c2ccc(Cl)cc2Cl)no1 22120766 IMZNJLIBORBLCW-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB C[C@@H](CC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 23383230 PSBBIGRCDGJQLE-HTAPYJJXSA-N 337.463 4.152 0 40 EIAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1csc2c1CCCC2 25144278 ATFTWFJHXJBMGS-MNOVXSKESA-N 331.403 4.478 0 40 EIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)C1CCCCC1 28305105 FEZBZLNPMSWBDB-UHFFFAOYSA-N 335.810 4.243 0 40 EIAB COc1cc2ccc3c(c2cc1OC)CN(Cc1ccccc1)CC3 31947391 VMQFCPVKXBMTHL-UHFFFAOYSA-N 333.431 4.415 0 40 EIAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 32416182 OTBWSBUAAPVIJB-ZWKOTPCHSA-N 342.483 4.148 0 40 EIAB COc1cccc(NC(=O)CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 32777592 LZWFCODPDAACSV-GOSISDBHSA-N 344.842 4.124 0 40 EIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccoc1 32900353 IQYHMOIRDSLEIE-HNNXBMFYSA-N 348.402 4.365 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 38771962 WTTBRTALOJGSRT-HZPDHXFCSA-N 327.424 4.038 0 40 EIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cnc3ccccc3n2)cc1 39983296 NJXYEACOEYTPIO-FQEVSTJZSA-N 347.418 4.006 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1 42364570 KFJMMAPYYLYENX-NSHDSACASA-N 336.794 4.317 0 40 EIAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC(C)C)cc1 44900182 SWUDKWRMKWCPKT-INIZCTEOSA-N 341.451 4.120 0 40 EIAB Clc1cccc(-c2nc3cc(-n4cnnc4)ccc3o2)c1Cl 45920421 SEAOURHMXWJRFM-UHFFFAOYSA-N 331.162 4.382 0 40 EIAB CCSCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58197917 PDWXAGHIRFBMPR-UHFFFAOYSA-N 334.466 4.082 0 40 EIAB O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1ccc(F)cc1F 69457263 ZBJBAIQPYOBLSQ-UHFFFAOYSA-N 347.365 4.200 0 40 EIAB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(-n2cccn2)c1 69622901 MZQIHYSKVORFKG-IBGZPJMESA-N 349.438 4.272 0 40 EIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(C)c4)C3)n2)c1 72369886 DXFKRDRMNJXDPX-GOSISDBHSA-N 349.434 4.043 0 40 EIAB O=C(N[C@H](c1nccs1)C1CC1)N(Cc1cccs1)C1CC1 74707815 AFLXUQPBVAEYCL-AWEZNQCLSA-N 333.482 4.030 0 40 EIAB CCc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 75359533 NCZWUYAPJGPOJV-UHFFFAOYSA-N 335.407 4.179 0 40 EIAB O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCc2ccccc2C1 95350258 IZXADHOINALAHM-UHFFFAOYSA-N 344.823 4.255 0 40 EIAB COCc1c(Br)cccc1NC(=O)N(C)CC(C)(C)C 96403450 ASENPRAHXGQSRG-UHFFFAOYSA-N 343.265 4.105 0 40 EIAB Cc1ccc(-c2nnc(CSCc3c(C)nn(C)c3Cl)o2)cc1 96433438 NYZZTFZCKKZWAV-UHFFFAOYSA-N 348.859 4.174 0 40 EIAB Cc1ccc(C2=C[C@@H](c3ccc(C(C)C)cc3)n3nnnc3N2)cc1C 102048130 ISOGQRUKZOPVGJ-FQEVSTJZSA-N 345.450 4.469 0 40 EIAB Cc1cc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)ccc1F 195559027 DBRNUAOKVNKVNE-OAQYLSRUSA-N 325.836 4.278 0 40 EIAB O=C(Nc1c(F)cccc1F)N1CCS[C@@H](c2ccco2)CC1 219431396 ZUDLHPIDPNUARQ-CQSZACIVSA-N 338.379 4.270 0 40 EIAB COC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1C 220013028 KWPUYQHECGGTTO-UHFFFAOYSA-N 331.799 4.006 0 40 EIAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccccn1 223990072 QHKUZMMVSQXYFL-UHFFFAOYSA-N 325.481 4.270 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCCc1ccccc1Cl 225038214 WQMRFRAYKGGLDE-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB CCOc1ccccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225104351 GKJXNYZBUJKSQN-IBGZPJMESA-N 342.435 4.458 0 40 EIAB Cc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1Cl 225736112 IIPOSZYXQFTUOD-CYBMUJFWSA-N 339.936 4.057 0 40 EIAB COc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225770260 AESOWNNMKVKJLC-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C)c4)OCC[C@@]31C2 257279813 OIHNUHPSMYLJMT-BKZNIZDZSA-N 327.468 4.014 0 40 EIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccccc1 408714157 JZLUZQCCBCODEP-UHFFFAOYSA-N 349.434 4.306 0 40 EIAB Cc1cc2cc(NC(=O)N3CC4(CCOCC4)[C@@H]3C(C)C)ccc2[nH]1 566962902 BYSOZPZIXMXUED-SFHVURJKSA-N 341.455 4.145 0 40 EIAB Cc1ccc(C)n1CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 604419752 ZQSWPFIBOQXDAD-UHFFFAOYSA-N 347.462 4.292 0 40 EIAB CC1=CC(C)(C)N(CN2C(=O)c3ccccc3C2=O)c2ccc(C)cc21 295865 PTLXNKLNNAKFNF-UHFFFAOYSA-N 346.430 4.251 0 40 EIAB COc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 509472 PVXJNSYPXQFALV-UHFFFAOYSA-N 329.359 4.493 0 40 EIAB Cc1cccc(C[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 985975 NSLROJIFJYCKDB-CQSZACIVSA-N 347.336 4.136 0 40 EIAB Cc1cc(C)c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)n1 1388775 UZLYSOPICTVJKW-UHFFFAOYSA-N 349.761 4.203 0 40 EIAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccccc1 1660124 NWHZCAHINMSRQA-VJOPYQGCSA-N 327.383 4.135 0 40 EIAB O=C(NC(=S)Nc1ccccc1)C12CC3C[C@@H](CC[C@H](C3)C1)C2 2291790 IOYIAMZZQINITQ-IUGDKWEMSA-N 328.481 4.106 0 40 EIAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(F)cc1F 2506085 IWCTXDIVHGPWDR-QPJJXVBHSA-N 338.151 4.379 0 40 EIAB CCOc1ccc2nc(NC(=O)C(Cl)(Cl)Cl)sc2c1 3102096 SOTZVGXCYCJWCB-UHFFFAOYSA-N 339.631 4.004 0 40 EIAB Cc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCCC2)s1 3264905 WSZYXNJFDLZEKL-CJNGLKHVSA-N 334.510 4.073 0 40 EIAB Cc1cc(NC(=O)c2cccc(Cl)n2)n(-c2ccc(Cl)cc2)n1 3290136 OVUSJNTXJHZHRA-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB O=C1CCC[C@H]1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3561087 XZCFGYQYIMMMOB-QGZVFWFLSA-N 347.443 4.419 0 40 EIAB COc1ccc(C(=O)[C@@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 4485936 UDWNCDGXVGJRDP-GFCCVEGCSA-N 326.421 4.243 0 40 EIAB CSc1cccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)c1 4585587 WJQNZSXBRMLIRA-ZHACJKMWSA-N 337.404 4.110 0 40 EIAB Clc1cccc(-c2nnc3sc(Cc4ccccc4)nn23)c1 4664966 WXUVITAYTMYMOR-UHFFFAOYSA-N 326.812 4.097 0 40 EIAB C[C@H]1CCC[C@@H](N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)[C@@H]1C 4852020 LXKVABORPCYYLX-VEVIJQCQSA-N 333.431 4.359 0 40 EIAB CCCCCNc1nc2sc3c(c2c2ncnn12)[C@@H](C)CCC3 5561484 NMOXIKSCDXGLOX-NSHDSACASA-N 329.473 4.381 0 40 EIAB CCCC[C@@H](CC)C(=O)Nc1ccccc1I 5707929 CBZRIZZDWYRRGE-LLVKDONJSA-N 345.224 4.446 0 40 EIAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1 6004309 MWRCMDQJFIVWLV-CYBMUJFWSA-N 331.437 4.204 0 40 EIAB C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 6085471 IOZGJCNRWBZRIH-MRXNPFEDSA-N 347.414 4.044 0 40 EIAB O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1Cc1ccco1 6537824 VVFPZZBDIPCYBA-UHFFFAOYSA-N 340.429 4.429 0 40 EIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1F 6810800 CGRKIIUSYUFYSX-UHFFFAOYSA-N 345.761 4.100 0 40 EIAB O[C@@H](COc1ccc(CNCc2ccccc2)cc1)c1ccccc1 7779650 CFEGXTUVJWYREU-QFIPXVFZSA-N 333.431 4.089 0 40 EIAB c1csc(-c2nc(CSc3nnnn3C3CCCC3)cs2)c1 8346294 VRPWCZSPCNXLTR-UHFFFAOYSA-N 349.510 4.266 0 40 EIAB Cc1cc(C)cc(N[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 8704076 AGZLJWUZCOFWRZ-IBGZPJMESA-N 335.407 4.392 0 40 EIAB CN(Cc1nc(N)c2ccccc2n1)Cc1cccc(Cl)c1Cl 8726030 LEMTUVVFHIWMAQ-UHFFFAOYSA-N 347.249 4.151 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2)cc1 10556401 ORLLQTQAIHXKNX-UHFFFAOYSA-N 344.374 4.311 0 40 EIAB Cc1n[nH]c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 11707073 DDKKMNIWPGUCFM-UHFFFAOYSA-N 347.447 4.258 0 40 EIAB CC(=O)c1cc(C(=O)NC2(c3cccc(F)c3)CCCC2)cs1 12197794 IIPDJTWAMYJSRQ-UHFFFAOYSA-N 331.412 4.289 0 40 EIAB CN(Cc1ccco1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 12534482 SHXNBANDMKWZTB-UHFFFAOYSA-N 343.386 4.162 0 40 EIAB C[C@H](NC=O)c1nc2ccccc2n1Cc1cccc2ccccc12 13540768 GDIPBKBBNDMMLQ-HNNXBMFYSA-N 329.403 4.045 0 40 EIAB O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1ccccc1 14188824 ZHRUZSDQVPEBBO-UHFFFAOYSA-N 331.415 4.162 0 40 EIAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)oc2ccc(F)cc12 14239682 GLIRPXRBFFKAHU-LLVKDONJSA-N 341.338 4.100 0 40 EIAB Cc1noc(C)c1S(=O)(=O)Oc1ccc(C2CCCCC2)cc1 16090704 CUHNBFYHLMQJQF-UHFFFAOYSA-N 335.425 4.107 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 20357371 VCFBHVVMRBZGST-YBEGLDIGSA-N 327.380 4.371 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1 20459125 ILVDEQRMECUVSU-MRXNPFEDSA-N 343.492 4.066 0 40 EIAB CCc1cc(Br)cc2cc([C@@H](O)CNC(C)(C)C)oc12 22053005 MXKMWLFIQAWNMD-ZDUSSCGKSA-N 340.261 4.179 0 40 EIAB in-vitro CCOc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22540348 PXMIEHHCPNXUCX-MRXNPFEDSA-N 347.480 4.050 0 40 EIAB O=C(CCC1CCCC1)Nc1cnn(Cc2cccc(Cl)c2)c1 28220578 VYTAXCIDANXFMM-UHFFFAOYSA-N 331.847 4.494 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)cc1 28909435 GVUFHWWYNFLXQP-NSHDSACASA-N 341.436 4.052 0 40 EIAB Cc1cnc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)s1 29779394 UZXZCLPOYITJQD-UHFFFAOYSA-N 338.436 4.075 0 40 EIAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H](C)n2cnc3ccccc32)cc1 30646748 KPZCOVBRNNGMCO-VQIMIIECSA-N 333.435 4.269 0 40 EIAB Cc1cccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)c1 35622144 RPPXJYGIOVOIDW-UHFFFAOYSA-N 333.439 4.242 0 40 EIAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)cc1 36621143 XJDWDVZAVULJBR-IBGZPJMESA-N 329.465 4.083 0 40 EIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 38771613 PIVWVZNRESZHFU-GOSISDBHSA-N 325.452 4.128 0 40 EIAB COc1ccccc1CNC(=O)N[C@H](c1cccs1)C(C)(C)C 40150028 SVYQJMYLJSCXGD-MRXNPFEDSA-N 332.469 4.343 0 40 EIAB COc1cc(C)c(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1OC 40468526 FUROQXQIKZLZHU-ZDUSSCGKSA-N 339.395 4.235 0 40 EIAB CSc1ccc(Cl)c(C(=O)NCCCN2CCCCCC2)c1 42674531 SUYSGSJYWUSUOZ-UHFFFAOYSA-N 340.920 4.058 0 40 EIAB CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)CC(C)C 46064338 JIKRYGZUQJHYEE-UHFFFAOYSA-N 340.427 4.178 0 40 EIAB CCOc1ccc(N[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OCC 48252615 IEPCTAASJNVZPT-XHSDSOJGSA-N 348.487 4.074 0 40 EIAB CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 48286882 JBUDFQCXDCFQRN-UHFFFAOYSA-N 333.435 4.085 0 40 EIAB c1csc(-c2nc(NCCCn3cccn3)c3ccccc3n2)c1 48344593 UUOOFIOGQCINCB-UHFFFAOYSA-N 335.436 4.057 0 40 EIAB O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCC1 52605713 IXEKGWFQKSNWKU-UHFFFAOYSA-N 335.432 4.266 0 40 EIAB Cc1csc(COc2ccc(C(=O)NCc3cccs3)cc2)n1 56907694 ISOFIDBNDUPAOH-UHFFFAOYSA-N 344.461 4.022 0 40 EIAB CNc1nc2c(s1)[C@H](c1ccc(OCC(C)C)cc1)CC(O)=N2 61719343 OMGSXPZEXOHPBM-ZDUSSCGKSA-N 331.441 4.343 0 40 EIAB Cc1cc(C(=O)N2CCn3cccc3[C@H]2C)c(C)n1Cc1ccccc1 65610888 XNNOUKAKRPJRIU-GOSISDBHSA-N 347.462 4.172 0 40 EIAB Cc1cc(C)c(NC(=O)COc2cc(C)ccc2C(C)C)c(N)c1 70462901 RBRGGJVNTRGRIQ-UHFFFAOYSA-N 326.440 4.335 0 40 EIAB CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1c(C)nn(C)c1C 71844134 UGSCCGRNAJAYCY-KBXCAEBGSA-N 327.472 4.140 0 40 EIAB Fc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 72358612 UMFGJIORRXRAQL-INIZCTEOSA-N 348.425 4.057 0 40 EIAB CCC(CC)c1cc(CNC(=O)N2CC3(CC3)c3ccccc32)on1 74707593 OMBKWBFGERJSLQ-UHFFFAOYSA-N 339.439 4.340 0 40 EIAB O=C(CSCc1ccncc1)N1CCCCC[C@@H]1c1ccco1 76651866 VDUIYLHCFURQQA-MRXNPFEDSA-N 330.453 4.052 0 40 EIAB COc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1OC 77732942 CHVQZKHGOGVAAL-UHFFFAOYSA-N 337.828 4.088 0 40 EIAB Cc1cc(N[C@H](C)Cc2ccc(-c3ccccc3)cc2)n2ncnc2n1 84109960 BRQDHGJOBJIADX-OAHLLOKOSA-N 343.434 4.143 0 40 EIAB FC(F)(F)Oc1ccc(Br)cc1CBr 88241934 STLDIGBRVPBGSV-UHFFFAOYSA-N 333.929 4.243 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1ncccc1C(F)(F)F 92213162 DXUHQUUTFCTVFM-UHFFFAOYSA-N 346.711 4.165 0 40 EIAB COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnn(C(C)(C)C)c1 93282996 CHLWFZDYEDAZAR-INIZCTEOSA-N 342.443 4.016 0 40 EIAB CSc1ccc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)o1 95395602 BYGRXLVWINHCIL-KRWDZBQOSA-N 342.395 4.055 0 40 EIAB C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 95431338 GZPZLIGQTUSICN-HZPDHXFCSA-N 340.423 4.104 0 40 EIAB CO[C@@](C)(CNC(=O)/C=C/c1cccs1)c1cccc(Cl)c1 96392391 UPRAMARLKDVLCL-IJDCCNJMSA-N 335.856 4.093 0 40 EIAB O=C(NCC1CC1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 96996643 XPRJVFKEIKOBIB-QINSGFPZSA-N 344.414 4.454 0 40 EIAB O=C1N=C(Nc2ccccc2)/C(=C\c2cc3ccccc3[nH]c2=O)S1 101719807 NBGPBDFOAILHOP-LFIBNONCSA-N 347.399 4.246 0 40 EIAB Cc1ccc(C2=C[C@H](c3ccc(C(C)C)cc3)n3nnnc3N2)cc1C 102048135 ISOGQRUKZOPVGJ-HXUWFJFHSA-N 345.450 4.469 0 40 EIAB Cc1ccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c(C)c1 103814527 JFWAHTOTLIRFHK-QYZOEREBSA-N 333.431 4.377 0 40 EIAB Cc1cc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1C(C)C 108849859 LPLBSHKIEAEEOC-OGNFBWPZSA-N 329.484 4.438 0 40 EIAB COc1ccccc1CC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 206873888 AGGLWDKSMRLWLF-SFHVURJKSA-N 341.426 4.173 0 40 EIAB O=C(Cc1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 219098746 HDYRBBWPDZWLKU-MRXNPFEDSA-N 335.469 4.137 0 40 EIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)c1 224288214 LBVSFMBRUKPNTG-RBUKOAKNSA-N 349.459 4.469 0 40 EIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1Cl 224327815 HOUFCKDBWRZSOA-UHFFFAOYSA-N 328.170 4.322 0 40 EIAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COC)c2)cc1 224401986 AFWHTJHRXXUACE-UHFFFAOYSA-N 327.424 4.437 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COC 224684728 SBSMHRFDIIKBDJ-UHFFFAOYSA-N 333.815 4.446 0 40 EIAB CCc1ccc(CC(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 225288128 SQIAKKXSTJQEOH-IBGZPJMESA-N 325.452 4.376 0 40 EIAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)c1ccccc1 225450265 BIEDVIYYKQNAGD-UHFFFAOYSA-N 333.362 4.238 0 40 EIAB Fc1ccc(NC(=S)NCCCSCc2ccco2)cc1F 225594185 IWIVNCQNLCBGFW-UHFFFAOYSA-N 342.436 4.168 0 40 EIAB O=C(O)/C=C/c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 226322490 ZWYITJHBYNPMBJ-JMQWPVDRSA-N 327.767 4.090 0 40 EIAB CC[C@H](C)c1ccccc1OC[C@H](O)CN[C@H](C)c1ccccc1 245318991 YSBWPYOHMLOJIM-YQVWRLOYSA-N 327.468 4.291 0 40 EIAB CCOc1ccc(N(CC)C(=O)c2cc(-c3cccs3)[nH]n2)cc1 500408836 JEAMYKFSJVNSNX-UHFFFAOYSA-N 341.436 4.204 0 40 EIAB CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(C(C)C)cc1)CC2 585100006 CGWHBWOYWYHLDB-OAQYLSRUSA-N 328.500 4.177 0 40 EIAB CC[C@@H](NC(=O)N1CCC[C@@H](OC2CCC2)C1)c1csc(C)c1 1616031366 QFXHUHSCWVYTJF-IAGOWNOFSA-N 336.501 4.251 0 40 EIAB COC(=O)c1cccc(-n2ccnc2SCc2ccc(F)cc2)c1 1889205660 OITLSPCTCORRMW-UHFFFAOYSA-N 342.395 4.090 0 40 EIAB COc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)cc1 351080 SFXPQTNMLAPWEP-UHFFFAOYSA-N 343.423 4.138 0 40 EIAB COc1ccc(Nc2nc(-c3ccccn3)nc3ccccc23)cc1 521656 WBFPWBUAAALPLF-UHFFFAOYSA-N 328.375 4.444 0 40 EIAB Fc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 532039 BDJDZKXZVWSDON-UHFFFAOYSA-N 344.802 4.096 0 40 EIAB Cc1ccccc1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N 1439967 ZNASNYQAXHGEQD-UHFFFAOYSA-N 325.437 4.364 0 40 EIAB COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)c(OC)c1 1913915 XCUWDEDDANPVEN-UHFFFAOYSA-N 343.423 4.118 0 40 EIAB CCOCCCNCc1ccc(OCc2ccccc2Cl)cc1 2178112 KWSJNROGXMPADP-UHFFFAOYSA-N 333.859 4.435 0 40 EIAB CCOc1ccccc1OCCC(=O)Nc1cc(Cl)ccc1C 2625357 NRRFHHMQBCBYLG-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 2636414 KDCDXFNMLHYRIS-SNVBAGLBSA-N 342.247 4.133 0 40 EIAB Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc4c(c3)OCO4)ccc12 2638151 XSNFHXIVXZOBCL-UHFFFAOYSA-N 347.349 4.264 0 40 EIAB C[C@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3514798 KDMCNGMSQPIYDK-HNNXBMFYSA-N 339.435 4.018 0 40 EIAB CCCCCCC(=O)O[C@H](COCc1ccccc1)CN(CC)CC 4837383 BNGLKZNQEZTDQU-FQEVSTJZSA-N 349.515 4.427 0 40 EIAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1CC1 5001105 USIDQJMBSCEBER-UHFFFAOYSA-N 326.343 4.101 0 40 EIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 5336842 DLKBIPXMYJVABN-UHFFFAOYSA-N 338.451 4.311 0 40 EIAB CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc2ccccc12 5481238 JBELCXQZBQPDJY-UHFFFAOYSA-N 340.382 4.459 0 40 EIAB O=c1cc(COc2ccc(Cl)c3ccccc23)nc2sccn12 5937787 LLCDTVNOEYAQTJ-UHFFFAOYSA-N 342.807 4.142 0 40 EIAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2c(c1)CCCC2 6316469 UVCUEPVVNXEESF-UHFFFAOYSA-N 339.819 4.159 0 40 EIAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccccc2C)c1 6396888 UHLTVAGMXLOLBR-UHFFFAOYSA-N 340.423 4.141 0 40 EIAB COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cn1 6831422 RCGLNSGGUBZFOJ-UHFFFAOYSA-N 332.403 4.128 0 40 EIAB c1ccc(Cc2nnc(SCc3cc(-c4ccco4)on3)o2)cc1 7290844 NOSVYTLOLQUYDR-UHFFFAOYSA-N 339.376 4.201 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCSc2ccccc21 7814068 QIELKCJJAIYDRZ-WBMJQRKESA-N 347.867 4.461 0 40 EIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1nnc(C2CC2)s1 7989214 LXCUFNLRXWVNET-UHFFFAOYSA-N 339.420 4.247 0 40 EIAB O=C(O)c1cc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 11801834 RXNBYFKBCFZGKV-UHFFFAOYSA-N 343.180 4.000 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(F)c1 13000340 LHVICHBONGHKTN-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB CCc1noc(C)c1C(=O)Nc1cccc(-c2csc(C)n2)c1 14021996 GIUCBAGOZLOXFL-UHFFFAOYSA-N 327.409 4.230 0 40 EIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc(C)c1Cl 14398797 NKDCNMARANOSCJ-LBPRGKRZSA-N 347.798 4.061 0 40 EIAB Cc1cccc(-c2noc(-c3cccnc3NCc3ccccn3)n2)c1 15669973 SWOZFDSEZUWJCT-UHFFFAOYSA-N 343.390 4.114 0 40 EIAB Cc1ncsc1-c1nnc([C@H]2CCCCN2Cc2ccccc2)o1 19562666 XEPDLVCRMPAAPM-OAHLLOKOSA-N 340.452 4.229 0 40 EIAB COC(=O)CCSc1nc(Nc2ccccc2)c2ccccc2n1 24103877 CHARKEVIIQBYQM-UHFFFAOYSA-N 339.420 4.029 0 40 EIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1OCC 26637676 SKUCNANJDYSZIB-CYBMUJFWSA-N 331.387 4.114 0 40 EIAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC 32930101 RFMWMJYRECMXMO-LBPRGKRZSA-N 333.815 4.157 0 40 EIAB Cc1c(C)n(C[C@@H](O)CN[C@@H]2CCCC[C@@H]2C)c2c(Cl)cccc12 35075094 ZBMWXQGMDJSFMW-IYJAJMOOSA-N 348.918 4.441 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2ccn[nH]2)c1 36763212 JOAXEQPFBVUZMF-UHFFFAOYSA-N 330.391 4.129 0 40 EIAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 38833745 UOUMEQLIVVJURM-MRXNPFEDSA-N 328.843 4.191 0 40 EIAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@H]2CCCC[C@@H]21 40082832 ADZLSLJKLLVYKX-KDOFPFPSSA-N 327.403 4.011 0 40 EIAB Cc1ccc2cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)c(C)nc2c1 58380607 DWAKSQFKYPWAQN-MRXNPFEDSA-N 347.462 4.106 0 40 EIAB C[C@@H](c1nc(C2CC2)no1)N(C)Cc1ccccc1C(F)(F)F 59402469 HXLBYJKPOIMDQV-JTQLQIEISA-N 325.334 4.159 0 40 EIAB Cc1cc(C)cc(N(C)C(=O)Cc2csc(-c3cccnc3)n2)c1 65607635 UHOFXJDDGQEPHB-UHFFFAOYSA-N 337.448 4.027 0 40 EIAB Cc1ccc(-c2nc(C)c(C(=O)N(C)c3nccs3)s2)c(C)c1 68993347 XGVWPIIOWLOHIX-UHFFFAOYSA-N 343.477 4.468 0 40 EIAB Cc1noc([C@@H](C)NC(=O)Nc2ccc(SC3CCCC3)cc2)n1 69588543 MRHJFDWHSOIJCS-LLVKDONJSA-N 346.456 4.295 0 40 EIAB CCOC(=O)c1cnc2cc(OC)cc(OC)c2c1-c1ccccc1 71328696 XARRKCAPZHVHJK-UHFFFAOYSA-N 337.375 4.096 0 40 EIAB Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2ccccn2)cc1 78552693 FQHFNCPZDQCBIZ-FQEVSTJZSA-N 346.409 4.102 0 40 EIAB COc1ccc(-c2nnn3cc(C(F)(F)F)cc(Cl)c23)cc1 81935137 FZDPNFXXXHOJQJ-UHFFFAOYSA-N 327.693 4.077 0 40 EIAB CC(C)n1cc([C@@H](C)NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 86397525 HDFYSOSKSIGMPI-KGLIPLIRSA-N 330.432 4.053 0 40 EIAB Cc1csc(CNc2cccc(C[S@](=O)c3ccccc3)c2)n1 89705641 QVNMMQWFMYDJAI-HSZRJFAPSA-N 342.489 4.371 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)c2cc(-c3cccnc3)on2)CC1 89941981 DHOJFQIQOAMFQD-UHFFFAOYSA-N 341.455 4.461 0 40 EIAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc2cc[nH]c12 89993710 HIVUJWBLISZMIP-UHFFFAOYSA-N 330.347 4.003 0 40 EIAB CCOc1ccccc1NC(=O)CSc1nccc2ccccc12 95472000 VPBWIQYMRWURPR-UHFFFAOYSA-N 338.432 4.364 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@H](OC)c2cccc(F)c2)cc1 96388177 VQTJSIWNFQOTNN-IBGZPJMESA-N 345.414 4.122 0 40 EIAB C[C@@H]1CC[C@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@H]1C 102061625 HSYKUCUHSYQGQW-HLTSFMKQSA-N 335.288 4.421 0 40 EIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Cl)S1 222558941 ZWDRDVQDXSTWIW-LYRGGWFBSA-N 329.856 4.324 0 40 EIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222948025 DLZBUYWBOWIHSG-HUUCEWRRSA-N 341.426 4.349 0 40 EIAB CCOc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1C 223641904 SRUHZLVGFVGAHL-UHFFFAOYSA-N 349.430 4.356 0 40 EIAB CCCOCc1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 224414232 XVLPCYOPKZPWSU-UHFFFAOYSA-N 335.350 4.152 0 40 EIAB CCOc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224990093 IYTWKXDEVNKGBA-UHFFFAOYSA-N 347.842 4.213 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccccc1 224992750 POSMGSQFXUJWGC-NRFANRHFSA-N 337.463 4.082 0 40 EIAB CCOc1cccc(NC(=S)NCCSCc2ccccc2)c1 225290733 UYXOZRQZNFQNAE-UHFFFAOYSA-N 346.521 4.305 0 40 EIAB CC[C@H](C)[C@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 524735704 SFPVSXKIJJKJMJ-KXBFYZLASA-N 338.455 4.048 0 40 EIAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC)cc1OC 147266 PSLROQSAEALCHG-ZRDIBKRKSA-N 325.408 4.227 0 40 EIAB COc1ccccc1OCCn1c(C(F)(F)F)nc2ccccc21 259700 SWRCXDBUEMPLQN-UHFFFAOYSA-N 336.313 4.143 0 40 EIAB COc1cc(-c2nc3cccc(C)n3c2NC2CCCC2)ccc1O 412108 YIKJCYZIIKQQTR-UHFFFAOYSA-N 337.423 4.378 0 40 EIAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 1385920 GLOWGQDIXUPDIH-VIFPVBQESA-N 334.206 4.361 0 40 EIAB Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)c1 1469220 UZYPQYQHGQGNQB-KRWDZBQOSA-N 346.430 4.119 0 40 EIAB CCCCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O 2844346 APVDHURXWFFYTC-LGMDPLHJSA-N 339.366 4.349 0 40 EIAB COc1ccc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1 3299994 NKLBNWQARWRJSR-UHFFFAOYSA-N 339.174 4.042 0 40 EIAB COc1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 3607629 UJDYRAZVFHKUMW-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1 5267954 RPSRDQXMWPAPPJ-UHFFFAOYSA-N 342.464 4.096 0 40 EIAB CCc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 6078660 XOINOOMKBMTKKV-UHFFFAOYSA-N 336.309 4.308 0 40 EIAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccccc2)cc1 6305706 TWUHFSSWZMCASB-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 7266944 AVXZIECPWRJRCC-CYBMUJFWSA-N 332.444 4.007 0 40 EIAB O=C(NCCc1ccccc1)c1cccc(OCc2ccccc2)c1 7668511 YTBSGWQLLGXSCJ-UHFFFAOYSA-N 331.415 4.238 0 40 EIAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)nc(C)c1C 8705492 GDHFMYIORBSVMZ-AWEZNQCLSA-N 341.480 4.010 0 40 EIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3F)ccc21 9136871 DQNPHYSZHPNRMW-UHFFFAOYSA-N 340.398 4.157 0 40 EIAB C[C@@H](NC(=O)CCCc1cccs1)c1ccc(-n2ccnc2)cc1 9156590 OFWRGYUEWNETIS-OAHLLOKOSA-N 339.464 4.134 0 40 EIAB Cn1c(NCc2c[nH]nc2-c2ccc(Cl)cc2)nc2ccccc21 9261985 LRKGPVWNDFLOLD-UHFFFAOYSA-N 337.814 4.229 0 40 EIAB COc1cccc(CC(=O)Nc2nc(-c3cccs3)cs2)c1 13018084 DNDZDHGEWFEHQM-UHFFFAOYSA-N 330.434 4.061 0 40 EIAB COc1ccc(CCNC(=O)Nc2ccccc2C(F)(F)F)cc1 17070969 BYSIUJAQEDYGDE-UHFFFAOYSA-N 338.329 4.078 0 40 EIAB Cc1cccc(Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 17325865 IPMUVEPAMQESID-HZPDHXFCSA-N 338.451 4.296 0 40 EIAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc2[nH]cnc2c1 18211309 ADMQKHKTMSNJQW-SFHVURJKSA-N 333.416 4.144 0 40 EIAB Fc1ccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 19344829 UHTJFKHJBSRYOQ-AWEZNQCLSA-N 343.427 4.317 0 40 EIAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)cc1 20632935 VNYLYZBMIAVXOW-MRXNPFEDSA-N 332.403 4.102 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1 25375208 BWTRTHZLMOJYHD-UONOGXRCSA-N 349.418 4.011 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nccs3)cc2)c1C 26488014 QIZDCZKYKNAIKV-UHFFFAOYSA-N 339.420 4.210 0 40 EIAB CC(C)c1nc2cc(NC(=O)NCc3ccccc3F)ccc2o1 27351628 FWXNBNDCMIWANS-UHFFFAOYSA-N 327.359 4.412 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)NC1CCC(C(F)(F)F)CC1 29319713 MGQSKSUIORRIHT-JEYLPNPQSA-N 342.405 4.428 0 40 EIAB Cc1c(C(=O)NCCOc2ccc(F)cc2)sc2cccc(F)c12 30131461 OAKRLUUQAIZHSC-UHFFFAOYSA-N 347.386 4.297 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(OC)cc1 31702737 ZRBAGCSKUIFLBC-VQIMIIECSA-N 341.451 4.347 0 40 EIAB CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2ccno2)c1O 32608330 FQHSVQRVGOBETD-UHFFFAOYSA-N 333.343 4.383 0 40 EIAB O=C(CSCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 33047568 YXWWJAOLPTZKMI-UHFFFAOYSA-N 343.536 4.437 0 40 EIAB CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OCC 33775865 LQKCPEXGITYKGF-UHFFFAOYSA-N 335.787 4.095 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC(C)C)cc1 36561561 UVVZVINTCHEKPW-FQEVSTJZSA-N 341.451 4.256 0 40 EIAB FC(F)(F)c1cc(-c2ccc(Br)cc2)nc(S)n1 36724559 UEZRMNLSCQCASQ-UHFFFAOYSA-N 335.148 4.214 0 40 EIAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H]2CCCC[C@@H]21 40024726 LUKUJHHRMFCBIW-APWZRJJASA-N 349.478 4.156 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2)c(OC)c1 40287587 ZRMLCKCUJPIWCU-OAHLLOKOSA-N 349.390 4.013 0 40 EIAB CC(C)COc1ccc(C(=O)N2CCSc3ccccc32)cc1 41155200 PAUGTFDTQNZFED-UHFFFAOYSA-N 327.449 4.474 0 40 EIAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C)c1cc2ccccc2o1 48365508 OGFXTPSZWGZILV-NSHDSACASA-N 347.365 4.061 0 40 EIAB Cc1cc(N[C@H](c2ccccc2)c2nccn2C)nc2ccccc12 53599546 OYGMJUBMLZXTNR-HXUWFJFHSA-N 328.419 4.478 0 40 EIAB O=C(NCc1ccncc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 58327899 BAPKSPURJNJYLC-CVEARBPZSA-N 349.459 4.058 0 40 EIAB NC(=O)c1ccc(CN(Cc2ccccc2Cl)C2CCCC2)cc1 60562456 TYQOGPAKHHDKOF-UHFFFAOYSA-N 342.870 4.384 0 40 EIAB O=C(C[C@@H]1C=CCC1)N[C@H](Cc1nccn1C(F)F)c1ccccc1 65493955 FZDKQGGTURVRMO-GDBMZVCRSA-N 345.393 4.035 0 40 EIAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3cnco3)cc2)s1 71883125 BTKZFUZNCWOYQZ-LBPRGKRZSA-N 341.436 4.248 0 40 EIAB CCc1nnc([C@H](C)Sc2nnc(CCC3CCCCC3)o2)o1 71893970 IEKGUMGPUPWOHN-NSHDSACASA-N 336.461 4.381 0 40 EIAB O=C(Nc1cccc(C(F)F)c1)N[C@H](CCCO)c1ccccc1 71921163 JWRZWMQCOWGZQI-MRXNPFEDSA-N 334.366 4.260 0 40 EIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccccc1 79474285 JNNLHQLBWPFVEG-UHFFFAOYSA-N 331.331 4.076 0 40 EIAB Cc1cc(OCCN2C(=O)[C@@H](C)CNc3ccccc32)ccc1Cl 82087119 ZGTOTZJDLXJISN-AWEZNQCLSA-N 344.842 4.122 0 40 EIAB CC(C)c1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 84631082 GEXXKUVNEVDXMB-CYBMUJFWSA-N 340.427 4.275 0 40 EIAB COC(=O)Nc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1 95420446 GZBURGLAWMAMPI-LBPRGKRZSA-N 341.436 4.325 0 40 EIAB C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1cncc(F)c1 95420539 XQJUMIBBFKFDMW-OAHLLOKOSA-N 337.398 4.046 0 40 EIAB Cc1nnc([C@@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 95987518 UYVPWJHRQILOLQ-OTYXRUKQSA-N 325.334 4.199 0 40 EIAB Cc1cc([C@H]2c3ccccc3CCCN2C(=O)c2ccco2)ccn1 96087136 NVLWLQBGXYNQCT-FQEVSTJZSA-N 332.403 4.161 0 40 EIAB CC(C)[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1nc(C2CC2)no1 96416075 FTGBQTJGZPDAAG-OAHLLOKOSA-N 346.475 4.010 0 40 EIAB COc1ccc(Br)cc1SCc1nc(C)c(C)o1 96422246 QEDXZWDWOXUTBW-UHFFFAOYSA-N 328.231 4.355 0 40 EIAB CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1 97098812 DUDVHJXUBHFRCL-XIKOKIGWSA-N 341.386 4.009 0 40 EIAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C1=O 100769785 RIZSTACIMQUWKD-SMOSDQRPSA-N 333.431 4.177 0 40 EIAB O=C(CCN1CC[C@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 104069465 CVVXHUZYGHJZKJ-KGLIPLIRSA-N 336.273 4.144 0 40 EIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 191213614 RHUNWFNVXFSPMW-UHFFFAOYSA-N 344.842 4.383 0 40 EIAB Cc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)n2c1 223148804 RZZJGHSEXHAYLH-LBPRGKRZSA-N 327.815 4.096 0 40 EIAB CC(C)(C)c1ccccc1OCCNC(=S)Nc1ccccc1 223665892 ONRFPXURWLBWOH-UHFFFAOYSA-N 328.481 4.350 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccccc1F 225449293 JXDNUFWSNDKPBV-QGZVFWFLSA-N 327.399 4.095 0 40 EIAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(C)c(C)cc2C)c1 225645591 OORBQSCBLKUOQU-UHFFFAOYSA-N 325.408 4.349 0 40 EIAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1C 225646810 JDJGRJILZRNECZ-UHFFFAOYSA-N 333.453 4.038 0 40 EIAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 240886191 INQIVRNLMDHJOU-FPOVZHCZSA-N 349.434 4.117 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cc1 390827154 FFZOJEDBOLMOQJ-UHFFFAOYSA-N 345.446 4.371 0 40 EIAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Cl 408811365 LGAJVMODILPEGF-POHAHGRESA-N 332.208 4.058 0 40 EIAB COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc12 409022518 JXPHXSSRTZKCCJ-MHWRWJLKSA-N 327.405 4.293 0 40 EIAB Cn1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)cn1 432998022 OTJVQLCVELRUEK-OAHLLOKOSA-N 343.427 4.141 0 40 EIAB CCc1c(C(=O)NCCOc2ccccc2)oc2cc(C)c(C)cc12 526052308 WFTFACORWATIPS-UHFFFAOYSA-N 337.419 4.421 0 40 EIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4)OCC[C@@]31C2 585261208 IUYUEBMWXWLSRW-DRJBRKBZSA-N 327.468 4.014 0 40 EIAB Cc1cc(Cl)ccc1Oc1ccc(F)cc1CNC[C@H]1C[C@H](O)C1 1560576359 HEHMDQAMWUDHSV-WJYNOGRTSA-N 349.833 4.440 0 40 EIAB CCc1ccc2nc3sc(C(=O)N(CC)CC)c(N)c3cc2c1 410764 ZOCZTOGHNFEVAR-UHFFFAOYSA-N 327.453 4.076 0 40 EIAB CCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 530520 FYMJWNWOKTUVJK-UHFFFAOYSA-N 348.381 4.386 0 40 EIAB COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Br 570583 RUTCIIBMVRCUDJ-UHFFFAOYSA-N 340.604 4.363 0 40 EIAB O=C(NCc1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1 1391436 NPENLNTVHGIBOP-UHFFFAOYSA-N 334.202 4.086 0 40 EIAB COc1cc(C)c(NC(=S)Nc2ccccc2Cl)cc1OC 2641288 MKVHDTLBRAHJGY-UHFFFAOYSA-N 336.844 4.475 0 40 EIAB CCc1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 3422389 LETMHXPWTYADBV-UHFFFAOYSA-N 325.393 4.145 0 40 EIAB CCn1c(SCC(=O)c2cccs2)nnc1-c1cccs1 3466339 ARYAHAJFKCLQFQ-UHFFFAOYSA-N 335.479 4.063 0 40 EIAB O=C(CNc1ccc(NCC(=O)c2ccccc2)cc1)c1ccccc1 3845243 YAYNXKAYLRHUIT-UHFFFAOYSA-N 344.414 4.276 0 40 EIAB biogenic Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 4143034 FZBFKPLJBKXMHI-MAZHCROVSA-N 336.501 4.190 0 40 EIAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1 4224431 MZZSVADFZYBURJ-UHFFFAOYSA-N 339.395 4.011 0 40 EIAB COc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 4575426 PTKZNHIKPCVSCK-UHFFFAOYSA-N 332.355 4.145 0 40 EIAB CSc1ccccc1-c1nnc(NC(=O)CCc2ccccc2)o1 4585577 YVRJEEKJIIARHL-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB CC(C)NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 5576523 MHZBOCPSOPXUMK-UHFFFAOYSA-N 341.798 4.195 0 40 EIAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 5616905 GOYBTYYRZQPVCU-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB COc1ccccc1NC(=O)[C@@H](C)Sc1ccc2ccccc2n1 5627103 OMFRMMGDNIMSHM-CYBMUJFWSA-N 338.432 4.363 0 40 EIAB O=C(NCCOc1cccc2ccccc12)c1cc2ccccc2o1 5876598 DAYFDXLQPVAIDZ-UHFFFAOYSA-N 331.371 4.395 0 40 EIAB Cc1ccc2c(COC(=O)c3cccc(Cl)c3)cc(=O)oc2c1C 5980979 KFQVRARQOCUYBQ-UHFFFAOYSA-N 342.778 4.420 0 40 EIAB Cc1ccc2[nH]c(SCC(=O)N(C3=CCCCC3)C3CC3)nc2c1 6972226 NLFUOUXTICEDNR-UHFFFAOYSA-N 341.480 4.412 0 40 EIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 7266943 AVXZIECPWRJRCC-ZDUSSCGKSA-N 332.444 4.007 0 40 EIAB O=C(Cc1ccsc1)Nc1nc(-c2cc(F)ccc2F)cs1 7723911 GFABWUKMXIPDAA-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB CSc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 8274962 MIWSSPGDLCKCCP-UHFFFAOYSA-N 341.354 4.445 0 40 EIAB Cc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccco3)nc12 10254235 OGILQNYLCFSDNN-UHFFFAOYSA-N 349.415 4.440 0 40 EIAB Cc1cc(C)c(NC(=O)CCc2ccc3c(c2)OCO3)c(Cl)c1 10443119 LTIFYRUYAKKLBO-UHFFFAOYSA-N 331.799 4.257 0 40 EIAB CSc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 10540851 PJFZNKZWKQVFPO-UHFFFAOYSA-N 337.448 4.463 0 40 EIAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)c(Cl)c1 12770131 ATUCDYBXNHFOEW-VMPITWQZSA-N 343.810 4.462 0 40 EIAB COc1ccccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21 12819120 JDPKYBWNIGJWND-CYBMUJFWSA-N 332.400 4.193 0 40 EIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccc(Cl)cc1 12925028 YZQJCWQTVYLNIW-SFHVURJKSA-N 343.858 4.299 0 40 EIAB CSc1ccccc1C(=O)N(C)c1ccc(N2CCCC2)cc1 13672723 LLFOTFWKCQEHFI-UHFFFAOYSA-N 326.465 4.285 0 40 EIAB CC(C)Nc1nn(CN(C)Cc2ccc(Cl)s2)c(=S)s1 14184019 SJLJGUVJUYLGLG-UHFFFAOYSA-N 348.950 4.299 0 40 EIAB Fc1cc2c(c(CN3CCC(Cc4ccccc4)CC3)c1)OCOC2 16047108 ZHWKHTBPJKHROS-UHFFFAOYSA-N 341.426 4.147 0 40 EIAB O=C(NCc1cc(-c2ccccc2F)on1)c1cc2ccccc2o1 16838509 XQUDMOIFAUNDDC-UHFFFAOYSA-N 336.322 4.157 0 40 EIAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1cccc(Br)c1 20029746 OXQSCFLWMDLSJD-SECBINFHSA-N 340.167 4.218 0 40 EIAB Cc1ccc(CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 20037635 QXZFUMAXRVTXHF-UHFFFAOYSA-N 325.452 4.074 0 40 EIAB Cc1ccccc1CS(=O)(=O)N[C@H](CC(C)C)c1ccccc1 20106560 DEOXAERMKFHNRG-LJQANCHMSA-N 331.481 4.202 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 20453042 DXTQNJJSACCPCJ-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB COc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC 20538380 ZPZQXZSKNAXCLI-LLVKDONJSA-N 334.803 4.240 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 21117126 UWNGNUGGPXMHDF-IFXJQAMLSA-N 341.476 4.370 0 40 EIAB COc1ccc([C@](C)(O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 21169973 PUNVHTFMJIWTCK-VXKWHMMOSA-N 339.479 4.172 0 40 EIAB O=C(CSCCC12CC3CC(CC(C3)C1)C2)NCc1ccco1 24073030 PQQXNHZVCZNJNG-UHFFFAOYSA-N 333.497 4.236 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1cc(C)cc(C)c1 25079086 AIPFRZOSADPYSV-INIZCTEOSA-N 343.492 4.423 0 40 EIAB COc1ccc(OCCOc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 25823250 VVSJMTZMSRRSOB-CQSZACIVSA-N 326.392 4.151 0 40 EIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCc1ccccc1OC(F)(F)F 27230735 QUGPLYFWGWULSF-OUCADQQQSA-N 327.346 4.028 0 40 EIAB OC1=Nc2c(ncn2-c2ccccc2)[C@@H](c2ccc(F)c(F)c2)C1 36352560 NWUHKFPNPPQVRR-CYBMUJFWSA-N 325.318 4.274 0 40 EIAB Cc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 38772228 RTRFLZRHVVUTLF-UHFFFAOYSA-N 336.479 4.157 0 40 EIAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 40047644 IBSKKEGSCUSRHM-UHFFFAOYSA-N 347.418 4.472 0 40 EIAB CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@H](C)COC 40071087 AOMAUSCPDIZXGQ-BZYZDCJZSA-N 337.872 4.451 0 40 EIAB COc1cc(OC)c(NC(=O)N[C@@H](C)c2ccccc2)cc1Cl 40103518 KCAPNFMRTRNFGS-NSHDSACASA-N 334.803 4.240 0 40 EIAB Nc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1Br 40309713 SSLPEECBAZEFHW-UHFFFAOYSA-N 341.208 4.437 0 40 EIAB CCCOc1ccc([C@H](C)NC(=O)CCc2ccsc2)cc1OC 48361773 ZXBMXYOYZDATFF-AWEZNQCLSA-N 347.480 4.356 0 40 EIAB Cc1cccc(C)c1NC(=O)NCc1ccccc1-n1ccnc1C 58307575 VPRVFKLLHYTRTF-UHFFFAOYSA-N 334.423 4.119 0 40 EIAB CN(Cc1ccc(F)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 58342879 ASPKIVZPICZZFI-UHFFFAOYSA-N 338.382 4.072 0 40 EIAB O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCCSCC1 58453886 UHCLQVAAHAUCEQ-UHFFFAOYSA-N 333.482 4.145 0 40 EIAB CCCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1cccc2ccccc12 63952099 SIENSRIKRFYFHN-OALUTQOASA-N 333.435 4.120 0 40 EIAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H]1c1ccccc1 69435595 NJAIEXWHKUZQSB-QGZVFWFLSA-N 336.391 4.149 0 40 EIAB Cc1csc(C2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)CC2)n1 69615972 CVGUJAMIQYTJHD-CYBMUJFWSA-N 346.471 4.490 0 40 EIAB O=C([C@H]1C[C@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 70010759 QBFZDGJNRHJGHZ-PMACEKPBSA-N 337.438 4.411 0 40 EIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 71844132 LNOXOANGZHSBNQ-WCQYABFASA-N 333.863 4.013 0 40 EIAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-n2cccn2)c1 71916297 GHMMDWQWKCEOTQ-IBGZPJMESA-N 349.438 4.272 0 40 EIAB COc1ccc(-c2nnc(NC(=S)Nc3ccccc3)s2)cc1 78518761 ZVXSPHUQHYIWQQ-UHFFFAOYSA-N 342.449 4.023 0 40 EIAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCc1cccnc1 79070837 YDTJRAPKJLLDCT-LBPRGKRZSA-N 349.261 4.467 0 40 EIAB CO[C@@H](CNC(=O)CCSc1ccccc1)c1ccccc1Cl 206850548 MHYWHBDKAYWGOL-KRWDZBQOSA-N 349.883 4.326 0 40 EIAB CCOC(=O)c1ccc(OCc2ccccc2Cl)c(OCC)c1 216821751 KMOKJLRDQUYDLL-UHFFFAOYSA-N 334.799 4.494 0 40 EIAB Cc1ccc(N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 219854078 VZXJPYXKUKDBNW-UHFFFAOYSA-N 326.484 4.218 0 40 EIAB O=C(NCCOc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 223447757 QZTIJARXVNPPHK-RELWKKBWSA-N 343.426 4.422 0 40 EIAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1cccc2ccccc12 223570954 NKQGLSLOEANNDO-FQEVSTJZSA-N 349.430 4.192 0 40 EIAB CCN(CC)C(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225267808 BCSFOTOVWASEFR-UHFFFAOYSA-N 327.815 4.365 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccco3)CCCC2)s1 225680570 JHPHBLDEMMFXJU-VIIAAUOXSA-N 345.464 4.036 0 40 EIAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(F)(F)F 225792246 APMKDJFKXLOHAI-MRXNPFEDSA-N 347.377 4.494 0 40 EIAB CCCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCCCC1 225909862 HTDREPNYSRHVKN-UHFFFAOYSA-N 342.439 4.311 0 40 EIAB CCCn1ccc2ccc(NC(=O)Cc3ccccc3NC(C)=O)cc21 390835694 VECDVRGEYSFFDP-UHFFFAOYSA-N 349.434 4.191 0 40 EIAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(C)cc2)C(=O)O1 409003434 GFUXEBWCXJHSJY-OQLLNIDSSA-N 327.767 4.002 0 40 EIAB Cc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)n1 409313983 JORCNFDCHLBYLM-ZROIWOOFSA-N 330.796 4.284 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)[C@H]3CCCO[C@H]3C(C)C)c2)o1 581306098 OSWVLBNYNRNAGO-IRXDYDNUSA-N 328.412 4.040 0 40 EIAB COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCC2 37703 ONJSEDIWRNOIFQ-VAWYXSNFSA-N 341.432 4.065 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)c1 49278 FTDFAQZXFNEJEE-OBMJPTGESA-N 333.431 4.095 0 40 EIAB CCOC(=O)c1ccccc1NCn1c(=S)oc2ccccc21 77847 DDIDVKQDLRXGPN-UHFFFAOYSA-N 328.393 4.210 0 40 EIAB COc1cc(OC)c(C(=O)Nc2ccc3ccccc3c2)cc1OC 365273 JWGPLYIUBOIFTA-UHFFFAOYSA-N 337.375 4.118 0 40 EIAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccccc21 417150 QCAZEWGAEZMUSM-UHFFFAOYSA-N 325.437 4.095 0 40 EIAB CCCn1nc(NC(=O)c2ccccc2F)c2cc3ccccc3nc21 530334 FZNJQJNHOXKXPJ-UHFFFAOYSA-N 348.381 4.386 0 40 EIAB Cc1cccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)c1 532080 ZQLNWYDKJFNJFB-UHFFFAOYSA-N 348.834 4.052 0 40 EIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)(C)C)c3ccccc3)cc2c1 537608 ZPSSAMGDTMAZJE-UHFFFAOYSA-N 348.446 4.416 0 40 EIAB CCOC(=O)c1ccc(C(=O)CCc2ccccc2SC)cc1 2516604 PJMURAXLSKXQCZ-UHFFFAOYSA-N 328.433 4.401 0 40 EIAB Clc1ncn(CCCCn2cnc(Cl)c2Cl)c1Cl 2566994 XTGAHAHEVHGMOJ-UHFFFAOYSA-N 328.030 4.174 0 40 EIAB CSc1nc2ccc(NC(=O)COc3ccccc3C)cc2s1 2641418 YYYDHVLYJCGTBN-UHFFFAOYSA-N 344.461 4.344 0 40 EIAB O=C(O)C[C@](O)(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 3850470 KPLYWJANPFZBMD-JOCHJYFZSA-N 332.399 4.259 0 40 EIAB biogenic CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1 4283720 HFDVRTZOGAWCCE-UHFFFAOYSA-N 338.190 4.214 0 40 EIAB CC1=NN([C@H](CNC(=O)c2ccccc2)c2ccccc2)C(C)(C)C1 4770896 QUCARBZSOHYLNI-LJQANCHMSA-N 335.451 4.018 0 40 EIAB CC(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136270 DWDOCRLBERHQGY-UHFFFAOYSA-N 342.464 4.326 0 40 EIAB CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 5655887 IAOKAVQMPRYNLV-UHFFFAOYSA-N 345.826 4.259 0 40 EIAB O=c1[nH]c2ccc(NCc3cccc(OCc4ccccc4)c3)cc2[nH]1 6669477 HXFCLZDJZWAMJB-UHFFFAOYSA-N 345.402 4.047 0 40 EIAB COc1cccc(-c2nnc(SCc3ccc(C)cc3)n2C)c1 6841224 KANZSDCFDGDXHR-UHFFFAOYSA-N 325.437 4.091 0 40 EIAB Cc1cccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 7018193 ZDZSAZAPDFLPMY-UHFFFAOYSA-N 337.250 4.372 0 40 EIAB O=C(Nc1nnc(SCc2ccccc2)s1)NC1CCCCC1 9324080 HTUMPMJFEJPPKY-UHFFFAOYSA-N 348.497 4.285 0 40 EIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(Cl)c2)c1C 9885399 MNRMUILGONYJQT-LBPRGKRZSA-N 348.830 4.145 0 40 EIAB COc1cc(SC)ccc1C(=O)N[C@@H](c1ccccc1)C1CC1 11204771 KWSGQIQRFKVBLG-SFHVURJKSA-N 327.449 4.298 0 40 EIAB CCCCn1nc(C)cc1NC(=O)c1ncoc1-c1ccc(F)cc1 12145527 YRFPTVFCAVCGGN-UHFFFAOYSA-N 342.374 4.038 0 40 EIAB Cc1nnc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)o1 12443864 SGYNVMCWWXYHTH-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 12774304 VOKZMJXWVIRNJQ-MRXNPFEDSA-N 349.430 4.413 0 40 EIAB CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)F)cc1 12805036 GRTSDONCHSVNME-UHFFFAOYSA-N 336.363 4.212 0 40 EIAB Cc1ccc(-c2cc(CC(=O)N3c4ccccc4C[C@@H]3C)no2)cc1 12862705 XRVPJMBYEABZMZ-HNNXBMFYSA-N 332.403 4.170 0 40 EIAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cc12 12917584 UXGNFCJWWNILMM-NSHDSACASA-N 339.420 4.180 0 40 EIAB CCOC(=O)c1noc(C)c1CSc1nc2ccccc2s1 13641026 RUHCMFZSZPREGQ-UHFFFAOYSA-N 334.422 4.062 0 40 EIAB C[C@@H]1CCc2sc3ncn4c(-c5ccc(F)cc5)nnc4c3c2C1 13726572 IWJQHZVNFHVHEV-SNVBAGLBSA-N 338.411 4.270 0 40 EIAB C[C@@H](Sc1nccn1C)C(=O)n1c2ccccc2c2ccccc21 14608347 DXSUJJJPTCZBGF-CYBMUJFWSA-N 335.432 4.349 0 40 EIAB Cc1cc2occ(CC(=O)NCCc3ccc(F)cc3)c2cc1C 15316739 DLSLSJXQKIYQHL-UHFFFAOYSA-N 325.383 4.090 0 40 EIAB O=C(Nc1cc(F)ccc1F)c1ccc(Br)cc1F 15425537 SUZHTTRKGZQSIU-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1 15446480 IGQRMCQSKDTFDV-INIZCTEOSA-N 327.380 4.004 0 40 EIAB CC1(C)CC(O)CC(C)(C)N1C(=S)Nc1ccc(Cl)cc1 16577765 NLXRUSUUYRTPOO-UHFFFAOYSA-N 326.893 4.051 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 20041097 XAWZRIOFBPHQHD-AWEZNQCLSA-N 343.423 4.233 0 40 EIAB Cc1cc(=O)oc2c3c(ccc12)OCN(C[C@@H](C)c1ccccc1)C3 20572581 HWZPVZSNPVNCHS-OAHLLOKOSA-N 335.403 4.057 0 40 EIAB O=C(CCC1CCCCC1)Nc1ccn(Cc2ccc(F)cc2)n1 27915890 CDWDXFAFSZPYAO-UHFFFAOYSA-N 329.419 4.370 0 40 EIAB Cc1nc2sccn2c1/C=C/c1cc(C(=O)O)c2ccccc2n1 32665178 IPGBTVKGAVAKMS-VOTSOKGWSA-N 335.388 4.121 0 40 EIAB CC(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)s1 32776846 QUOSWNGCKAIOKE-UHFFFAOYSA-N 333.390 4.024 0 40 EIAB C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 32827573 ZCTITGWISOCZMR-CYBMUJFWSA-N 341.842 4.416 0 40 EIAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cn[nH]c3)o2)cc1 32913244 IZVGEBWXEZWGOK-UHFFFAOYSA-N 344.374 4.292 0 40 EIAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1O2 36705411 QVELTDPEMWWRNH-UHFFFAOYSA-N 339.395 4.273 0 40 EIAB Cc1cc(C(=O)Nc2nc3c(C)ccc(C)c3s2)n(C(C)C)n1 38502773 XGXXNCAVSGMTFO-UHFFFAOYSA-N 328.441 4.251 0 40 EIAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 39050040 YATPIFKIZZKJFX-GDZCPINPSA-N 334.500 4.322 0 40 EIAB Cc1ccc([C@H](NC(=O)c2cccc(N(C)C)c2)C(F)(F)F)cc1 40015896 OWDBHOFSDUFITG-INIZCTEOSA-N 336.357 4.094 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@H](c3cccc(O)c3)O2)C1 40450005 ISFDSEQAKHNOGE-QFBILLFUSA-N 333.428 4.013 0 40 EIAB COCc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 40553163 SBWFAYBWEFSGOT-UHFFFAOYSA-N 347.418 4.148 0 40 EIAB O=S(=O)(Cc1ccc(F)cc1)Cc1csc(-c2ccccc2)n1 45340975 CVOUGHANEOGDMC-UHFFFAOYSA-N 347.436 4.064 0 40 EIAB COc1ccc(N)cc1NC(=O)c1cccc2c(Cl)cccc12 57340140 DRODALFMUJIGTO-UHFFFAOYSA-N 326.783 4.336 0 40 EIAB CC(C)OCc1cccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 58172876 PLTLMWPCIJNWRF-CYBMUJFWSA-N 348.393 4.329 0 40 EIAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc2ncccc12 58367224 XQFZUOMYNYNKQC-UHFFFAOYSA-N 326.783 4.458 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 65521673 OPGIEPXGIYIFJT-AWEZNQCLSA-N 343.471 4.189 0 40 EIAB CC[C@@H](C)c1csc(NC(=O)c2cccn2Cc2ccncc2)n1 67931491 IVYWONNGCQLYSE-CYBMUJFWSA-N 340.452 4.154 0 40 EIAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1nc2c(s1)CCCC2 69618655 SMFOWRAJCGDZRH-VIFPVBQESA-N 338.835 4.305 0 40 EIAB COCCNc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1 69875656 BZCLIGWRJCXNRV-UHFFFAOYSA-N 341.455 4.190 0 40 EIAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H](C(F)(F)F)C1 71851764 UQBWLIWVQVUWST-LBPRGKRZSA-N 340.370 4.225 0 40 EIAB CNc1ncc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1C 72219010 JPDTZETZPFWKQB-SFHVURJKSA-N 339.439 4.296 0 40 EIAB CCCCC(=O)Nc1ccc2nc(-n3nc(C)cc3C)sc2c1 72229627 DHDJZJIRKRHQTM-UHFFFAOYSA-N 328.441 4.228 0 40 EIAB Cc1c(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)sc2ccccc12 79107534 YDPCAOXOHDELFU-SMDDNHRTSA-N 329.421 4.045 0 40 EIAB CCCc1nc([C@H](Nc2nc3ccccc3o2)c2ccccc2)no1 79111659 PIEGBCFCZMGETB-QGZVFWFLSA-N 334.379 4.365 0 40 EIAB CC(C)(C)OC(=O)NC1CCN(CC/C=C/c2ccccc2)CC1 79438855 AJSPRYMULFBUQX-YRNVUSSQSA-N 330.472 4.079 0 40 EIAB COC(=O)c1sccc1CSc1nnc(-c2ccccc2C)o1 88484829 CKBZEGLNQRCZKJ-UHFFFAOYSA-N 346.433 4.185 0 40 EIAB Cc1cc([C@H](C)NCc2ccc(Cn3ccnc3)cc2)c(C)s1 95420150 TUTAHXJJZZATQT-HNNXBMFYSA-N 325.481 4.461 0 40 EIAB C[C@H](N[C@H]1CCO[C@H](C)C1)c1ccccc1OCc1ccccc1 95983760 QJBBUCADNSODJC-AOIWGVFYSA-N 325.452 4.484 0 40 EIAB Cc1noc(C)c1CN[C@H](C)c1ccc(Oc2cccnc2)c(F)c1 95985333 RZCWEOCKSBCQAW-GFCCVEGCSA-N 341.386 4.469 0 40 EIAB CN(Cc1cscn1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 96404678 UODSTTYRPIEMEY-CHWSQXEVSA-N 341.263 4.212 0 40 EIAB O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]2CCC[C@H]21 96461425 VQMAMVDNFOAMED-WMLDXEAASA-N 338.411 4.065 0 40 EIAB F[C@@H](C(F)(F)F)C(F)(F)COc1ccccc1Br 96508970 YIUWOVJIZZHEFZ-MRVPVSSYSA-N 337.057 4.364 0 40 EIAB COc1ccc([C@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222743433 TXJBLXRUQXSECV-HNNXBMFYSA-N 329.465 4.114 0 40 EIAB COc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222799057 LHSRNAFEWWPXMI-HNNXBMFYSA-N 341.451 4.249 0 40 EIAB C[C@H](CNC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 223406423 LGECTDXEZSDUEX-CQSZACIVSA-N 333.884 4.493 0 40 EIAB Cc1ccc(SCCC(=O)NCCOc2ccc(Cl)cc2)cc1 223440546 IPCKGGWLAVKOPY-UHFFFAOYSA-N 349.883 4.326 0 40 EIAB CCCOc1ccccc1CCCNC(=S)Nc1ncccc1C 225626511 FCBDBGWULCGYMP-UHFFFAOYSA-N 343.496 4.098 0 40 EIAB Cc1cnc([C@@H](C)Nc2cnn(-c3ccccc3Br)c2)o1 390835741 WPWWAFIZBCXWJA-LLVKDONJSA-N 347.216 4.104 0 40 EIAB CC(C)[C@@H](NCc1ncccc1Cl)[C@H](O)c1ccc(Cl)cc1 528561321 QIEWCORJUPEDJB-IAGOWNOFSA-N 339.266 4.236 0 40 EIAB Cc1cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)nc(C2CCC2)n1 1612225101 YKWJRBKGNNOMAN-QGZVFWFLSA-N 343.858 4.284 0 40 EIAB c1ccc(Oc2ccccc2CSc2nc3cncnc3[nH]2)cc1 1651933377 BHOCZBOUNKPEFM-UHFFFAOYSA-N 334.404 4.438 0 40 EIAB COc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1 134069 FPGZSXIHMSALRO-UHFFFAOYSA-N 329.355 4.159 0 40 EIAB CCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 303485 YDYKEXGXDJRVML-UHFFFAOYSA-N 325.437 4.310 0 40 EIAB C[C@@H](CCc1ccccc1)N1C[C@@H](COc2ccccc2)OC1=S 341035 ZKVUNPUUHDIXDI-LPHOPBHVSA-N 341.476 4.072 0 40 EIAB Cc1ccc([C@]2(CC(=O)N3CCCCC3)CCO[C@H](C(C)C)C2)cc1 554181 ATVIILYCGCSENE-RBBKRZOGSA-N 343.511 4.470 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 1904147 FIPRAKRVOZNUMA-RMKNXTFCSA-N 347.798 4.018 0 40 EIAB C[C@H]1CCc2c(sc3nc(SCc4ccccc4)[nH]c(=O)c23)C1 1973094 IAYGBZPVLNPCMG-NSHDSACASA-N 342.489 4.402 0 40 EIAB Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)O)c(C)c4cc23)cc1 2120735 DKDQZTRRMYSVQA-UHFFFAOYSA-N 348.354 4.450 0 40 EIAB biogenic O=C(c1cccc(CN2CCSCC2)c1)c1ccc(Cl)cc1F 2515305 GJQUGOCWRXMJKI-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB Cc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1C 2761809 AKSSVBGCRSETKB-UHFFFAOYSA-N 329.787 4.047 0 40 EIAB O=C(NCc1ccccc1)c1ccccc1OCCOc1ccccc1 3357940 VNAQHSPWWBSAQM-UHFFFAOYSA-N 347.414 4.074 0 40 EIAB Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1F 4000106 ZTBLFINUXAHAPU-UHFFFAOYSA-N 339.366 4.214 0 40 EIAB biogenic O=C(Nc1nnc(-c2ccco2)o1)C(c1ccccc1)c1ccccc1 4107292 PTZRIPODMWSZBX-UHFFFAOYSA-N 345.358 4.100 0 40 EIAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 4305118 VUKGXDXUOZUXQE-FQEVSTJZSA-N 346.430 4.122 0 40 EIAB c1cncc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)c1 4511749 UWLIKIHLYFFATM-UHFFFAOYSA-N 329.388 4.068 0 40 EIAB CC(C)[C@]1(CCNCc2cccc3c2OCO3)CCOC(C)(C)C1 4770734 VUVAWWRENAFGRX-HXUWFJFHSA-N 333.472 4.126 0 40 EIAB CC1=CC(C)(C)N(C(=O)CNCCc2ccccc2)c2cc(C)ccc21 4896809 ZBRNEOYZGVXLLW-UHFFFAOYSA-N 348.490 4.356 0 40 EIAB CCCC[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccc(C)cc1 4898628 VSQMRQXOZRCQNW-MRXNPFEDSA-N 345.464 4.089 0 40 EIAB CC(C)c1ccc(C2=NNC(=O)[C@H](c3c[nH]c4ccccc34)C2)cc1 5189666 JCFRSLMYECGBRY-KRWDZBQOSA-N 331.419 4.299 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(N2CCCCC2=O)c1 5441611 QOHHMSNHYKYZIS-UHFFFAOYSA-N 342.826 4.038 0 40 EIAB CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 5525925 XPTRUKDINFDGKW-UHFFFAOYSA-N 346.217 4.206 0 40 EIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 5557275 BPODQLGKAZLQDT-UHFFFAOYSA-N 334.257 4.148 0 40 EIAB FC(F)(F)c1nc2ccccc2n1-c1cc(-c2ccccc2)[nH]n1 5660386 QQWDWADOHXNBQC-UHFFFAOYSA-N 328.297 4.434 0 40 EIAB O=C(COc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 6249219 MFOYJCHWLJQDLS-UHFFFAOYSA-N 344.842 4.348 0 40 EIAB COc1ccc(C(=O)N(Cc2cccs2)c2ccc(O)cc2)cc1 6457616 YRYJRVIKYMPMHC-UHFFFAOYSA-N 339.416 4.309 0 40 EIAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(C)o2)cs1 6872606 RYSHQNPBOJLBFQ-UHFFFAOYSA-N 331.422 4.081 0 40 EIAB O=c1[nH]c(CNc2ccccc2Cl)nc2sc3c(c12)CCCC3 7321168 KIGZJSDNXAOHQN-UHFFFAOYSA-N 345.855 4.129 0 40 EIAB O=C(NCCc1cccs1)c1ccccc1C(=O)c1cccs1 8755577 GLKFJWDMYCVUQG-UHFFFAOYSA-N 341.457 4.013 0 40 EIAB CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1Cl 9061952 ODLDYFBBHNZJNB-UHFFFAOYSA-N 345.892 4.082 0 40 EIAB Cc1cccc(-c2noc(CCCC(=O)Nc3ccccc3C)n2)c1 9196375 KCDBMVRVFQFVNM-UHFFFAOYSA-N 335.407 4.315 0 40 EIAB COc1ccccc1NC(=O)c1cccnc1Sc1ccccc1 9954792 GOBCYRXHXCQWBJ-UHFFFAOYSA-N 336.416 4.494 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 10351351 XWHIIZYNRPQHRQ-QRWLVFNGSA-N 338.451 4.072 0 40 EIAB CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 10448512 BJROBTJZRFAQCK-HNNXBMFYSA-N 329.465 4.191 0 40 EIAB COc1c(O)cccc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1 11331169 YNNOZEQVZXGNAV-FOWTUZBSSA-N 335.403 4.488 0 40 EIAB CSCc1csc(NC(=O)COc2ccc(C(C)C)cc2)n1 12230157 IDBUBJKVBNSYOM-UHFFFAOYSA-N 336.482 4.147 0 40 EIAB CC(C)Oc1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 13728292 KJFMNWOYUPROKF-UHFFFAOYSA-N 346.390 4.371 0 40 EIAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(Br)cc1 14391123 QVQRGHRUWJOICY-VIFPVBQESA-N 340.167 4.218 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccnn1Cc1ccc(Cl)cc1 15640945 VVHPOHINYVSOMX-DHZHZOJOSA-N 337.810 4.237 0 40 EIAB O=C(/C=C\C(=O)Oc1ccccc1Cl)Oc1ccccc1Cl 17173442 QAOSKUKLWLPBLU-KTKRTIGZSA-N 337.158 4.061 0 40 EIAB Cc1ccn2cc(C(=O)N[C@H](c3ccccc3)c3cccs3)nc2c1 18211462 KNSBRWPFTGEFCR-LJQANCHMSA-N 347.443 4.224 0 40 EIAB COCc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)sc2cccc(F)c12 21895601 MHBFCIIUCXUNOQ-RYUDHWBXSA-N 335.444 4.305 0 40 EIAB Cc1ccc(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 24980149 MTGXEAQGIOOIPZ-UHFFFAOYSA-N 336.907 4.006 0 40 EIAB CCOc1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12 27529586 IXEGFDNUBJFADZ-UHFFFAOYSA-N 345.439 4.136 0 40 EIAB CCCCC[C@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\CCCC(=O)O 27643436 NNPWRKSGORGTIM-ZKROLSGVSA-N 336.472 4.158 0 40 EIAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662569 TYMVPQCFKSWLKQ-GOSISDBHSA-N 342.508 4.404 0 40 EIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1 30848856 JEEUORNAOVBGTF-IBGZPJMESA-N 327.424 4.498 0 40 EIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1CN(C)C 31231547 MGGNOEKRSFSFLG-UHFFFAOYSA-N 341.436 4.025 0 40 EIAB Cc1cccc(NC(=O)c2cc(Cl)c(Br)[nH]2)c1C 36397347 OPCDHHTZAQPYEN-UHFFFAOYSA-N 327.609 4.300 0 40 EIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 40155425 SSUNBTINVDBDDU-SCLBCKFNSA-N 342.826 4.377 0 40 EIAB COc1cc(CO)cc(Cl)c1OCc1c(F)cccc1Cl 49345542 HBFSLUQEOFYLLL-UHFFFAOYSA-N 331.170 4.212 0 40 EIAB CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 54748214 XRFSOUUNOGRPIY-ZDUSSCGKSA-N 339.464 4.207 0 40 EIAB CCOc1cc(/C=C/C(=O)N(CC)C(C)C)cc(Cl)c1OC 58195418 ANXKTEKVCGXHBF-CMDGGOBGSA-N 325.836 4.017 0 40 EIAB Cc1cnn(CC2CC2)c1NC(=O)c1cc2c(s1)CCCCC2 63848686 FETBPJRBQSHIFN-UHFFFAOYSA-N 329.469 4.184 0 40 EIAB COc1ccc([C@@H]2CCCN2c2cc(C)nc(-c3ccncc3)n2)cc1 70037481 BUBXAJCYXFOSGD-IBGZPJMESA-N 346.434 4.197 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cn1 71811797 HPBBRLFKDWHHLQ-UHFFFAOYSA-N 339.395 4.171 0 40 EIAB CN(C(=O)CN(C)[C@@H]1CCc2ccccc21)[C@H]1CCCc2ccccc21 83855803 LZKDECIYLKGNLC-YADHBBJMSA-N 348.490 4.142 0 40 EIAB Cc1ccc(C)c(OCc2nnc(SC3C[C@H](C)O[C@@H](C)C3)o2)c1 89623933 MEYGHLNDSZQLEB-KBPBESRZSA-N 348.468 4.314 0 40 EIAB CC(C)Oc1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1 89888041 XKHIBZIGEGWKLA-UHFFFAOYSA-N 328.334 4.200 0 40 EIAB C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 89905092 AXZNNIBOCDKMRL-XJKSGUPXSA-N 342.464 4.291 0 40 EIAB Cc1coc(-c2cc(NCc3c[nH]nc3-c3cccnc3)ccc2C)n1 95429383 FNOJQGODNZCRQR-UHFFFAOYSA-N 345.406 4.356 0 40 EIAB CCCCc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 95916141 ZQCYALZGTQNZDC-UHFFFAOYSA-N 328.408 4.286 0 40 EIAB Cc1c(C(=O)NCC2([C@H](C)CCO)CCC2)sc2cccc(F)c12 95987100 NESWJBKMYVMBHA-GFCCVEGCSA-N 349.471 4.267 0 40 EIAB CO[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 96103349 IIWUQDYWSXZNSR-CYBMUJFWSA-N 344.358 4.276 0 40 EIAB Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3cccnc3)cs2)s1 96231399 KGECQDSPZPRYPK-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB C[C@@]12CC3CC(CNC(=O)COc4ccccc4)(C1)C[C@@](C)(C3)C2 100910857 QJTXWWPOTFUUSK-WDEXLOMXSA-N 327.468 4.178 0 40 EIAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102255483 WEMJXRNRNMHQQP-OWTLIXCDSA-N 342.266 4.313 0 40 EIAB CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H](c1ccccc1)c1ccccn1 107341229 CGFQQSYIJYZPHN-TUNNFDKTSA-N 342.442 4.433 0 40 EIAB C[C@@H]1CC(N[C@H](C)c2ccc(Br)c(F)c2)C[C@@H](C)O1 108372898 BVAGBFMRUZCRAY-GMTAPVOTSA-N 330.241 4.195 0 40 EIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 113956247 PSYDMRSSRIRJKY-GOSISDBHSA-N 347.842 4.213 0 40 EIAB Cc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(C)cc1N 216866491 HFMQOZPXGVYGTK-UHFFFAOYSA-N 337.467 4.374 0 40 EIAB Cc1ccccc1COc1c(Cl)cc(CO)cc1Br 216911142 MBSGOOUDMIKMEU-UHFFFAOYSA-N 341.632 4.482 0 40 EIAB C[C@H](NC(=O)CSCc1ccccc1)c1ccc2c(c1)CCC2 223152299 REEJJMYYBWZAJP-HNNXBMFYSA-N 325.477 4.286 0 40 EIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223209349 ABPIZLVXJYKDCR-KBPBESRZSA-N 343.854 4.473 0 40 EIAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccccc1 223940818 YMGWTCJQKQBOOS-UHFFFAOYSA-N 337.847 4.071 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 224552594 UKDKQOPFYNEZMU-QGZVFWFLSA-N 348.506 4.370 0 40 EIAB Cc1cc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)ccc1Cl 225058942 VKHXZPCLEKZNAD-OAHLLOKOSA-N 325.191 4.377 0 40 EIAB Cc1ccccc1CSCC(=O)NC(C)(C)Cc1ccccc1 225195686 XURWTNJMNJNJSF-UHFFFAOYSA-N 327.493 4.366 0 40 EIAB Cc1cccc([C@@H](NC(=S)Nc2ccncc2)c2ccccc2)c1 225701741 SARBNAFCRBAISZ-IBGZPJMESA-N 333.460 4.466 0 40 EIAB O=C(CCc1nc(-c2cccc3ccccc23)no1)N1CCCCCC1 225829431 OYMJKZFIJOKSLS-UHFFFAOYSA-N 349.434 4.225 0 40 EIAB CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408675811 KQTGWYGAXHIUGM-INIZCTEOSA-N 348.446 4.402 0 40 EIAB O=C(c1ccc2nccnc2c1)N1CC2(CCCC2)c2c(F)cccc21 500147679 IOFIXOKXXKMJHG-UHFFFAOYSA-N 347.393 4.241 0 40 EIAB CC(C)c1csc([C@@H]2CCCN(Cc3ccccc3C(=O)O)C2)n1 568069026 ZAAJLWKODRUCRL-OAHLLOKOSA-N 344.480 4.344 0 40 EIAB O=C(O)c1csc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)n1 580720471 JTWMBCQIQBYEQJ-SIFUEBAJSA-N 342.464 4.299 0 40 EIAB CCc1c(C(=O)Nc2nc(C)cc(C3CC3)n2)cnn1C(CC)CC 582879327 JLAPVJURXGIGJR-UHFFFAOYSA-N 341.459 4.035 0 40 EIAB CC1(C)CN(Cc2csc([C@@H]3CCCO3)n2)Cc2ccccc2O1 585083861 DTJFRXMMMGHEMT-KRWDZBQOSA-N 344.480 4.168 0 40 EIAB CC(C)C[C@@H]1CCCN(C(=O)c2cc(O)ccc2C(F)(F)F)C1 622433926 UDFBKQJISQPIGV-LBPRGKRZSA-N 329.362 4.309 0 40 EIAB COc1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1 418654 FSWCLYCUNTWBPS-UHFFFAOYSA-N 346.383 4.089 0 40 EIAB CC(C)C(=O)Nc1nc(-c2ccc(Br)s2)cs1 567836 MWNZZRHQQLMCMX-UHFFFAOYSA-N 331.260 4.229 0 40 EIAB COc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 1017138 ULVZJQUSCUXTCS-UHFFFAOYSA-N 332.355 4.145 0 40 EIAB CCn1nc(NC(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 1277491 HPECBNQGRSJEJY-UHFFFAOYSA-N 330.391 4.165 0 40 EIAB Cc1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)s1 3389081 SGOGOTNOZFLKCH-UHFFFAOYSA-N 341.461 4.244 0 40 EIAB Cc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1C 3533558 RRGVRVVSLFWVBC-UHFFFAOYSA-N 327.409 4.284 0 40 EIAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 4610675 WMJBVUJINOKYGE-SFHVURJKSA-N 345.398 4.107 0 40 EIAB Clc1ccc(-c2cc3nc4c(c(NCC5CC5)n3n2)CCC4)cc1 4966854 RSHKIOFYNAYLRH-UHFFFAOYSA-N 338.842 4.360 0 40 EIAB CCCCc1ccc(NC(=O)COc2cc(OC)cc(OC)c2)cc1 5497212 GFVQEOCZMNMISJ-UHFFFAOYSA-N 343.423 4.064 0 40 EIAB Cc1sc2nc(CSc3nc4ccccc4o3)[nH]c(=O)c2c1C 5628733 AGSQIXUGYMQIEA-UHFFFAOYSA-N 343.433 4.035 0 40 EIAB CCCCC(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 6263941 LFQJONPHVCHNLY-UHFFFAOYSA-N 341.889 4.261 0 40 EIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nc2ccccc2s1 6345353 DXNSWBOOVOCLHB-UHFFFAOYSA-N 344.745 4.179 0 40 EIAB O=C(CCC(=O)c1cccs1)Nc1ccc(Br)cc1 6402692 RYQYKBYMMDNGMT-UHFFFAOYSA-N 338.226 4.112 0 40 EIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Cl 6539871 ANVULAAXCSIIIR-UHFFFAOYSA-N 341.798 4.095 0 40 EIAB C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccnc1 7146978 QLUVBCBSHZQJAP-OAHLLOKOSA-N 344.480 4.169 0 40 EIAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)c1c[nH]c2ccccc12 7703430 XLZCVSZGZZNJHA-CYBMUJFWSA-N 346.386 4.088 0 40 EIAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2o1 8193755 MWJLUKXEFZPGFM-UHFFFAOYSA-N 334.419 4.305 0 40 EIAB Cc1ccc(OCCNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8301110 KLAWGTBCCSKIAO-UHFFFAOYSA-N 346.430 4.229 0 40 EIAB COC[C@@H](C)Nc1nc(-c2cccs2)nc2sc(C)c(C)c12 8753768 CLUVCVQVBGSPCH-SECBINFHSA-N 333.482 4.483 0 40 EIAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 8917291 VQAVEUVEVJNSEJ-MRXNPFEDSA-N 339.778 4.012 0 40 EIAB FC(F)(F)c1cccc(-c2noc(CN3CCc4ccccc43)n2)c1 9681839 NQPNPODELPLZNQ-UHFFFAOYSA-N 345.324 4.318 0 40 EIAB Fc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 12389061 NJTBYWTXXSWOLH-UHFFFAOYSA-N 330.775 4.312 0 40 EIAB CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCC2)c(C(C)(C)C)c1 12421490 TUMCWCZQZXIOFD-KRWDZBQOSA-N 333.516 4.117 0 40 EIAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccco1 12883124 KQWVDAXMCLDHDD-TVXIDFIASA-N 329.399 4.307 0 40 EIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc2cc(Cl)ccc2o1 13302919 ZFZLPKIUMZKMEL-UHFFFAOYSA-N 329.739 4.345 0 40 EIAB CC(=O)Nc1cccc(NC(=O)COc2cc(C)cc(C(C)C)c2)c1 14095442 LKIABFWTQAAHGH-UHFFFAOYSA-N 340.423 4.094 0 40 EIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc2ccccc12 15860035 GOWCZKPIPFCRHJ-HXUWFJFHSA-N 348.446 4.390 0 40 EIAB O=C1CN2CC[C@@H]1C/C2=C\c1ccnc2c(Cl)cc(Cl)cc12 16951269 NBRSVMAOMQHCGU-MYMMUUHESA-N 333.218 4.177 0 40 EIAB COc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCOCC1 16985245 AXWBGRWWMLZCET-UHFFFAOYSA-N 345.826 4.036 0 40 EIAB COc1ccc(-c2cn(Cc3cccc(Cl)c3)c3[n+]2CCC3)cc1 17016205 PVLOKPWUSNFTNX-UHFFFAOYSA-N 339.846 4.099 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(F)ccc1F 20030110 GOWLACACVBJZFE-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB CC(=O)NCc1ccc(-c2csc(Nc3cc(C)ccc3C)n2)o1 23386393 KWNKGIZESWEKMP-UHFFFAOYSA-N 341.436 4.400 0 40 EIAB Cc1cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)sc1C 24549133 GHOZGCYHEPPNBG-UHFFFAOYSA-N 331.441 4.147 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c1 24616638 GSICXKLWFOEYET-CYBMUJFWSA-N 347.842 4.167 0 40 EIAB C[C@H](O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 24763904 MPOPOTPQAPSIJU-NSHDSACASA-N 344.461 4.106 0 40 EIAB CCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 24831203 WXVRDZXRWQWMRP-NSHDSACASA-N 341.386 4.256 0 40 EIAB Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 27794981 XSQJMFFMUJMBFE-QGZVFWFLSA-N 328.481 4.014 0 40 EIAB Nc1c(Cl)cc(NC(=O)c2cncn2-c2ccccc2)cc1Cl 28818687 YASIRLNPWHHGBR-UHFFFAOYSA-N 347.205 4.014 0 40 EIAB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c(O)c1 32911050 VHQWHZFHKAESPU-NRFANRHFSA-N 346.382 4.482 0 40 EIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c1 36358571 XFJUFGJYKJYDLG-INIZCTEOSA-N 337.354 4.144 0 40 EIAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN(C)C1CCCCC1 37530285 ZKGHLKYIPSVZNW-OJAHFUOMSA-N 325.537 4.089 0 40 EIAB CCOc1ccc(NC(=O)Cc2coc3ccc(OC)cc23)cc1 39882396 IDKJSKRBJGKVFE-UHFFFAOYSA-N 325.364 4.021 0 40 EIAB O=C(CCC(=O)c1ccc(Cl)s1)NCCC1=CCCCC1 39975651 OUDALFFEWDQALJ-UHFFFAOYSA-N 325.861 4.371 0 40 EIAB COc1cc(C)ccc1Oc1ccc(NC(=O)NC2CCCC2)cn1 48326472 YZBINKGGHGCUCR-UHFFFAOYSA-N 341.411 4.255 0 40 EIAB C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@H]4C(=O)O 49601523 HITLMPHPGUZLGI-NACYMBDTSA-N 334.456 4.185 0 40 EIAB biogenic,in-vitro O=[S@](CCCOc1ccc(F)cc1)Cc1cccc(Cl)c1 58132300 MGDMCDJGEAZBOZ-NRFANRHFSA-N 326.820 4.197 0 40 EIAB Cc1noc([C@@H](C)NC(=O)Nc2ccccc2Oc2ccccc2)n1 69379626 OBWVEQHZWGNUIR-GFCCVEGCSA-N 338.367 4.053 0 40 EIAB Cc1oc(-c2ccsc2)nc1CC(=O)N(CC(F)(F)F)C(C)C 69700363 OGHBITVHSPZASZ-UHFFFAOYSA-N 346.374 4.053 0 40 EIAB CSc1ccccc1C(=O)NC[C@H](O)c1cccc2ccccc12 70635987 PKPDWVYXUYBIEO-SFHVURJKSA-N 337.444 4.025 0 40 EIAB Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1C 71835010 YTOPHZKBPRXTJH-MOPGFXCFSA-N 339.435 4.070 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(CO)c1 72120253 QYLHWTOKBAOYHK-CABCVRRESA-N 326.440 4.132 0 40 EIAB CC(C)c1nc([C@H]2CCCN(C(=O)c3sccc3C3CC3)C2)no1 72232388 YVNBFKYVBJXIMK-ZDUSSCGKSA-N 345.468 4.152 0 40 EIAB CCOc1ccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 75568041 MYYUOGFDWMCUBD-LBPRGKRZSA-N 345.342 4.311 0 40 EIAB Cc1cccc(CS(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 95962206 GWYIZSLHRNSDAF-UHFFFAOYSA-N 329.248 4.417 0 40 EIAB CCN1CC[C@@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 95967986 JKNMKSPSELCWLY-VQIMIIECSA-N 348.494 4.050 0 40 EIAB Cc1cc(C(=O)N2CCCC2)ccc1NCc1ncc(C(C)(C)C)o1 96450119 AELPQZQXYZWYQX-UHFFFAOYSA-N 341.455 4.129 0 40 EIAB Cc1cc(F)ccc1CNc1ccc(Cl)c(C[S@](C)=O)c1 97084918 FDVCIWKTWXFACH-OAQYLSRUSA-N 325.836 4.278 0 40 EIAB C/C(=C\C(=O)NCc1coc(-c2cccs2)n1)c1ccccc1F 98055230 UWMVYEVJPGUFHW-FMIVXFBMSA-N 342.395 4.262 0 40 EIAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)c(Cl)c1Cl 98072439 NDNLGNONDZPWAC-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CN1CCO[C@]12CC[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]1C2 118936563 ZCHJSKRKWQBWAB-NOECQHEYSA-N 347.543 4.048 0 40 EIAB O=C(Nc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1)c1ccccc1 125219866 IKNZFLYCTQGVGB-URLQWDBASA-N 332.403 4.090 0 40 EIAB c1cc2c(o1)CCC[C@H]2NCc1ccc(COC2CCOCC2)cc1 193042406 TUHZIHJWHCLSMF-HXUWFJFHSA-N 341.451 4.142 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 222813674 NRYVWPQWEGLAKH-RDTXWAMCSA-N 329.415 4.423 0 40 EIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(F)cc1 223289228 ZJGAOMGTVSUEHT-FQEVSTJZSA-N 341.426 4.178 0 40 EIAB C[C@@H](CNC(=O)CSCc1cccc(Cl)c1)c1ccccc1 223404689 LVIUSYBNNYSETG-AWEZNQCLSA-N 333.884 4.493 0 40 EIAB Cc1ccc(CCCNC(=O)COc2cccc3c2CCCC3)cc1 224210488 KAMKNMLHVXDTDP-UHFFFAOYSA-N 337.463 4.002 0 40 EIAB Cc1cc(C)c(C(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224641444 LERYHUVCIFLLOW-UHFFFAOYSA-N 336.479 4.138 0 40 EIAB FC(F)(F)c1cc(NC(=S)NCc2cccnc2)ccc1Cl 225331274 JLEJWFCAMFFLRI-UHFFFAOYSA-N 345.777 4.240 0 40 EIAB Cc1cccc(NC(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)c1 225739686 SLGCTAUZXAWOLA-SFHVURJKSA-N 347.418 4.228 0 40 EIAB O=C(Nc1ccccc1F)c1snnc1-c1ccc(Cl)cc1 225769653 PBRDIHVREJVBMU-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CSc1ccccc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226040687 PMFLVMOILXBCNW-UHFFFAOYSA-N 345.807 4.421 0 40 EIAB Cc1ccc(C)c(-c2[nH]c(=Nc3ccccc3)sc2CC(=O)O)c1 408894820 JCBQLLDMURMCEM-UHFFFAOYSA-N 338.432 4.220 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)nc1)Nc1ccccc1Cl 575616296 KTPFIYFJQBNPIG-UHFFFAOYSA-N 327.771 4.317 0 40 EIAB Cc1nn(C)c(C)c1CCN[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 585081451 MIBDHHZUFZAIKD-ZDUSSCGKSA-N 349.906 4.371 0 40 EIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(CCc1ccc(Cl)cc1)CC1CC1 604852285 DLYSPFZMIBATJG-JENIJYKNSA-N 329.871 4.333 0 40 EIAB O=C(NCc1cccc2ccccc12)NC1CCC(n2cccn2)CC1 618256745 MDZMXHPNLGRDLY-UHFFFAOYSA-N 348.450 4.019 0 40 EIAB O=C(CCC(=O)c1cccs1)N[C@H]1CCCCc2ccccc21 624676334 BGESVMBKUASIEX-INIZCTEOSA-N 327.449 4.295 0 40 EIAB Cn1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 643003584 VHHDSNATDOQKOA-UHFFFAOYSA-N 327.771 4.118 0 40 EIAB COc1ccc(Br)cc1C1([C@H](N)CC(C)C)CCC1 1772714957 QSYJLBKXFABELF-OAHLLOKOSA-N 326.278 4.253 0 40 EIAB S=c1[nH]c2ccccc2n1CCn1c(=S)[nH]c2ccccc21 29126 ULXNURWNXGGZFA-UHFFFAOYSA-N 326.450 4.411 0 40 EIAB CCOc1ccc([C@@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 348391 WUCDVUYSHKJRHY-FGZHOGPDSA-N 339.479 4.388 0 40 EIAB O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1ccccc1 398460 NBEFIPKXUBVTBU-UHFFFAOYSA-N 329.399 4.042 0 40 EIAB C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)CCCC4)csc2C1 541639 BVRDDOOARQMUTN-SNVBAGLBSA-N 332.494 4.461 0 40 EIAB CC(=O)Nc1ccc(NC(=O)CC2(C)C3CC4CC(C3)CC2C4)cc1 1396526 XLFJIOCWZVPKKK-UHFFFAOYSA-N 340.467 4.436 0 40 EIAB CC1(C)[C@]2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC[C@@]1(C)C(=O)C2 1432752 MVBLPGQDJVQIJW-DLBZAZTESA-N 339.357 4.429 0 40 EIAB O=C(O)[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)O)c1ccc(Cl)cc1 1668806 BVOHKJFRQYBQQY-KBPBESRZSA-N 339.174 4.030 0 40 EIAB CC(=O)Nc1ccc(C(=S)NCCCSc2ccccc2)cc1 3348953 YABHKHIWIJTKKM-UHFFFAOYSA-N 344.505 4.093 0 40 EIAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 3849877 UPBHDNBADOAHCA-OHFNBNKZSA-N 332.484 4.242 0 40 EIAB Fc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)cc1 4137693 ZYRLKJPOWSRFFP-UHFFFAOYSA-N 330.319 4.368 0 40 EIAB Cc1c(C(=O)OCC(=O)Nc2cccc(Cl)c2)oc2ccccc12 4462999 OYQAIFHOAFMDIX-UHFFFAOYSA-N 343.766 4.190 0 40 EIAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)cc1C 5846792 GQRQDSXKILJKFE-HNNXBMFYSA-N 333.387 4.280 0 40 EIAB COc1ccc(-c2nnc(S[C@H](C)c3ccc(F)cc3)n2C)cc1 6147873 PBOBNDKAIMURQR-GFCCVEGCSA-N 343.427 4.483 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2Cl)c(C)c1 6314290 VZSNNUBKJGCGLN-UHFFFAOYSA-N 337.872 4.086 0 40 EIAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCCC3)o2)c1 6374309 VXTIXPLQYOYYNR-UHFFFAOYSA-N 345.468 4.465 0 40 EIAB CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 6440510 UOTULKHMPWKRAK-MHWRWJLKSA-N 343.379 4.071 0 40 EIAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 6649512 AJKDFQILIWMEER-UHFFFAOYSA-N 330.815 4.122 0 40 EIAB COc1ccccc1COc1ncnc2sc3c(c12)CCCC3 6787164 IZLACLOWPYVQOL-UHFFFAOYSA-N 326.421 4.158 0 40 EIAB CCCCCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407375 DQTHHOYVUFLRFG-UHFFFAOYSA-N 326.444 4.190 0 40 EIAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(N)c3)c2)cc1 7468285 NSPMARCZNLJWBO-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB CCOc1ccccc1NC(=O)CNc1ccc(Cl)cc1Cl 7972301 FDEIXXQRSQLISF-UHFFFAOYSA-N 339.222 4.443 0 40 EIAB COc1ccccc1OCC(=O)N[C@H](C)c1cccc2ccccc12 8072907 NATUYAJFWGMUAS-OAHLLOKOSA-N 335.403 4.105 0 40 EIAB Cc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)s1 8429293 PRTBUBCEQCHCCN-DHZHZOJOSA-N 328.824 4.364 0 40 EIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCc1ccccc1 12539353 NCDIZULTRFPQQY-OAQYLSRUSA-N 347.462 4.353 0 40 EIAB CCCCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1 13494478 JDFHWHHHBCUPOE-UHFFFAOYSA-N 341.436 4.431 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 17297536 SMYJYZUTIYRDKC-GFCCVEGCSA-N 338.234 4.120 0 40 EIAB O=C(NCc1ccc2c(c1)OCO2)c1sccc1-c1ccccc1 17320529 UAKSYEKXSUBVHF-UHFFFAOYSA-N 337.400 4.074 0 40 EIAB COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)C(C)C)cc1 19310877 ZHTJOPQMZDNLLZ-OXJNMPFZSA-N 341.451 4.284 0 40 EIAB COCCOc1cccc(NC[C@@H](C)Oc2cc(C)ccc2C)c1 19737575 WNEGJYCQETUENW-QGZVFWFLSA-N 329.440 4.208 0 40 EIAB CSc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 20029794 XOMDBWRJCACIKC-OAHLLOKOSA-N 349.521 4.373 0 40 EIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(C(=O)O)c1 20145255 HXMSSUQTLKOYEO-ZRDIBKRKSA-N 333.343 4.297 0 40 EIAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)cc1 20610091 XQOCTPQXHJWKEW-UHFFFAOYSA-N 342.402 4.235 0 40 EIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(OC)cc1 21186714 RTDZSSVQQZLLGR-GOSISDBHSA-N 347.480 4.050 0 40 EIAB CCc1nc(N)sc1-c1nc(-c2ccc(Cl)cc2Cl)no1 22121408 SHXPKLCCWREDNF-UHFFFAOYSA-N 341.223 4.312 0 40 EIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1F 24964523 YBXHDWZIQYAUOB-SNVBAGLBSA-N 335.379 4.269 0 40 EIAB O=C1Cc2cc(-c3csc(Nc4ccccc4F)n3)ccc2N1 25057695 PXVJBACYXSTKJY-UHFFFAOYSA-N 325.368 4.187 0 40 EIAB CC(C)COCCCNC(=O)N(C)Cc1ccc2ccccc2c1 26265717 POMIKKVPFBGIJB-UHFFFAOYSA-N 328.456 4.044 0 40 EIAB CC(C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 31903410 QMBJHXVQBMVTFQ-UHFFFAOYSA-N 349.478 4.040 0 40 EIAB CCNc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 32329584 GLOQZDPKAADAJM-UHFFFAOYSA-N 338.483 4.287 0 40 EIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1Cc1ccccc1 32611677 HHKSZPNOFHQSPQ-KRWDZBQOSA-N 348.368 4.309 0 40 EIAB CC1=NN(c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1 32926785 FZZFUQCBTWZNAR-HXUWFJFHSA-N 333.435 4.250 0 40 EIAB COc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2C)cc1OC 33297626 FATGDEAAGCFYAL-NTMALXAHSA-N 331.799 4.318 0 40 EIAB O=C(NCc1cccs1)c1csc(-c2cc3ccccc3[nH]2)n1 36708154 PMQSWRVOXZKXDN-UHFFFAOYSA-N 339.445 4.283 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)NCCCSc1ccccc1 37124625 CLJXYNKDEFCZOW-UHFFFAOYSA-N 332.444 4.150 0 40 EIAB O=Cc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 41058296 KYCOMCHWAFCECT-UHFFFAOYSA-N 330.387 4.471 0 40 EIAB Nc1cc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)cc1Cl 45891606 VXUQZQNAPALJGJ-UHFFFAOYSA-N 329.614 4.410 0 40 EIAB CC(C)c1nc(CC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cs1 46745761 HCGBGSNEANXAIA-DOMZBBRYSA-N 332.469 4.184 0 40 EIAB Cc1ccc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 51235865 CXWPVJKSQSMTIW-UHFFFAOYSA-N 337.423 4.152 0 40 EIAB COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OC(C)C 55492781 WNKNUCGCPWFTSO-UHFFFAOYSA-N 344.436 4.064 0 40 EIAB CCCCN(CCCC)Cc1ccc([C@H]2C[C@@H](C(=O)O)CC2=O)cc1 57327818 SDTONHOWMYEACA-RTBURBONSA-N 345.483 4.236 0 40 EIAB Cc1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)c(C)n1C(C)C 58472170 MBKLYPUVDCQYEQ-UHFFFAOYSA-N 336.439 4.183 0 40 EIAB COc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1OC(F)F 58598285 MNWYKZBXCLKWTO-HNNXBMFYSA-N 347.361 4.056 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)n1 61108751 POGIVHKWHQXTIZ-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB Cc1cccc(Nc2nc(C(=O)NCCC3=CCCCC3)cs2)n1 62022557 PFMTXONPWZIJGF-UHFFFAOYSA-N 342.468 4.210 0 40 EIAB COc1cccc(CSc2nnc(Cc3ccccc3F)o2)c1 67955671 CRPUVRJYPQXVRW-UHFFFAOYSA-N 330.384 4.100 0 40 EIAB O=C(CCn1cccn1)Nc1ccccc1-c1nc2ccccc2s1 68722453 UPJVHUCZAYWOGQ-UHFFFAOYSA-N 348.431 4.189 0 40 EIAB C[C@H](NC(=O)/C=C/c1cccs1)c1nc(-c2cccnc2)cs1 69654988 AGXYWEGSPNUFQI-SYTKJHMZSA-N 341.461 4.157 0 40 EIAB O=C(Cc1cccc(Br)c1)NC12CC3CC(CC(C3)C1)C2 72064063 BVZOLHNOIUAEOP-UHFFFAOYSA-N 348.284 4.077 0 40 EIAB O=C(NC1(c2nccs2)CCCC1)c1ncoc1-c1cccs1 84442254 SNMGSVFGIMYLFK-UHFFFAOYSA-N 345.449 4.059 0 40 EIAB Cc1nnc([C@@H](C)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)o1 95395901 XJCAUBIWRDCMFG-SECBINFHSA-N 346.387 4.004 0 40 EIAB CC(C)(C)c1nc(CNc2nnc(-c3ccc(F)cc3)o2)cs1 96003729 MTBWGAHLLRGPQN-UHFFFAOYSA-N 332.404 4.242 0 40 EIAB CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 96472871 IAIVIHICENFDMW-ROUUACIJSA-N 347.393 4.049 0 40 EIAB CCOC(=O)[C@](F)(c1ccc2cc(OC)ccc2c1)C(F)(F)F 98174842 KQKFZNQHSZFLNK-OAHLLOKOSA-N 330.277 4.139 0 40 EIAB COCc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 193978615 KWNRVWDLHMFQEG-HNNXBMFYSA-N 335.403 4.392 0 40 EIAB O=C(NCCCc1ccccc1)c1ccc2nc(Cl)sc2c1 225977126 LNUKQFGIQGHMPR-UHFFFAOYSA-N 330.840 4.312 0 40 EIAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccccc3F)cc2)no1 226097520 HBSNNQVQZWHLSO-UHFFFAOYSA-N 339.370 4.175 0 40 EIAB O=C(NCCCc1cc2ccccc2o1)NCc1ccc(F)cc1 390829479 DZRDTCJKJZNRCF-UHFFFAOYSA-N 326.371 4.004 0 40 EIAB O=C1N/C(=C/c2ccc(Cl)s2)C(=O)N1c1ccc(Cl)cc1 409165895 ACBJTEVSCBQFMK-YRNVUSSQSA-N 339.203 4.152 0 40 EIAB O=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Br 575607630 AWSRHHGHCXIJGT-UHFFFAOYSA-N 346.180 4.232 0 40 EIAB C[C@H](CN(C)Cc1c(C(=O)O)sc2ccccc12)c1nccs1 578199817 XSRYAZJSOZWUMB-LLVKDONJSA-N 346.477 4.292 0 40 EIAB O=C(Cc1ccccc1)N[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@H]12 585261189 XITLCGGIJLSBJR-ANULTFPQSA-N 335.447 4.044 0 40 EIAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 214024 VWYXENCTSVJJDE-UHFFFAOYSA-N 335.432 4.287 0 40 EIAB Cc1cc(C)cc(C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2C)c1 226298 FJHHMJBLNFJIIM-KDOFPFPSSA-N 341.838 4.325 0 40 EIAB Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1 271328 XEPOYEWYSVPQBP-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB CC(C)[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCOC(C)(C)C1 490392 MRENQJGAOWEDBH-HOTGVXAUSA-N 343.467 4.150 0 40 EIAB COc1ccc(C(=O)N(C)c2nc(-c3ccc(C)cc3)cs2)cc1 932642 PZYYANFNBBJLAK-UHFFFAOYSA-N 338.432 4.404 0 40 EIAB Cc1ccc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1 1340689 LRUQKSGZPFWQBO-HZPDHXFCSA-N 334.467 4.495 0 40 EIAB CCN(CC)CCSCCNc1ccnc2cc(Cl)ccc12 1700325 VKFWCCLDMLDYAW-UHFFFAOYSA-N 337.920 4.375 0 40 EIAB COc1cc(NC(=O)/C=C/c2ccc(F)cc2)c(OC)cc1Cl 1930562 ZODBMMPYERKILI-VMPITWQZSA-N 335.762 4.148 0 40 EIAB COc1ccc(-c2nc(NC(=O)Cc3ccsc3)sc2C)cc1 3270270 KQXRUGMZEVQTLM-UHFFFAOYSA-N 344.461 4.370 0 40 EIAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 3424733 CGVDQZOJIBKUOY-QFIPXVFZSA-N 344.414 4.115 0 40 EIAB FC(F)(F)[C@@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 3455682 HTMJJNSCXMVTPQ-SNVBAGLBSA-N 341.402 4.349 0 40 EIAB COc1ccc2nc(SCCCC(=O)c3ccc(F)cc3)[nH]c2c1 4274213 YBEHISHSMXNGDK-UHFFFAOYSA-N 344.411 4.466 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 4305514 VLOKMONUPUXPIS-IBGZPJMESA-N 348.471 4.282 0 40 EIAB C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@H]1C 4777668 QFUXQRHAJWXPGP-HKKFXGGESA-N 340.375 4.229 0 40 EIAB biogenic,in-vitro O=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)c(Cl)c1 5388141 SWUAVNFZMCWAJZ-UHFFFAOYSA-N 337.231 4.327 0 40 EIAB Cc1ccc(NC(=O)NCCC(C)C)cc1NC(=O)NCCC(C)C 6936993 CWTIZHMLSJLPSV-UHFFFAOYSA-N 348.491 4.330 0 40 EIAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112636 YAAAPDNMWMWANM-HXUWFJFHSA-N 348.402 4.445 0 40 EIAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(N)cc3)c2)c1 7468261 CXBXRCVTSHTOTB-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB CCc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@@H]1C 7878557 NQTPPLXTIYWOFW-AWEZNQCLSA-N 328.481 4.177 0 40 EIAB O=C1N[C@@H](c2csc(-c3ccc(Cl)cc3)n2)Nc2ccccc21 8708123 OIZQBJASYSDNCW-HNNXBMFYSA-N 341.823 4.318 0 40 EIAB Cn1cncc1CN[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 12087516 CDJGIYHFOCMFSK-VJANTYMQSA-N 329.875 4.136 0 40 EIAB CSc1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 12409878 SAJYWRDNKLUWJJ-UHFFFAOYSA-N 326.425 4.102 0 40 EIAB C[C@H](NC(=S)Nc1ccc(SC(F)F)cc1)c1ccncc1 12550750 PJGIVMKIIUCEAJ-JTQLQIEISA-N 339.436 4.444 0 40 EIAB COc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 12995215 ALNSSLWZQYORNJ-UHFFFAOYSA-N 330.434 4.441 0 40 EIAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccnc1 16480983 OMZFVBKUIIXVOC-UHFFFAOYSA-N 329.359 4.066 0 40 EIAB Cc1ccc(-n2ncc3c2C[C@H](c2cc(F)cc(F)c2)CC3=O)cc1 17070972 PANPFGGHIIVGPQ-AWEZNQCLSA-N 338.357 4.372 0 40 EIAB COc1ccccc1CNCc1c(C)nn(Cc2ccc(C)cc2)c1C 17310998 CPLMDZYKJOQQIK-UHFFFAOYSA-N 349.478 4.155 0 40 EIAB C[C@@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)c1ccccc1 19459186 VUHCTUCOXUNABM-QAPCUYQASA-N 333.435 4.073 0 40 EIAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1ccccc1Cl 19927796 DBKKJVLJBKJRCS-UHFFFAOYSA-N 348.793 4.302 0 40 EIAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccccc1 20042824 WZKQNAQPDSXPHP-KSSFIOAISA-N 329.465 4.443 0 40 EIAB COC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 20133952 WDLPVIODRZVOHO-IZZDOVSWSA-N 347.208 4.214 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 20137156 DXNVMJQXSILXIW-UHFFFAOYSA-N 341.794 4.274 0 40 EIAB O=C(CSCc1ccc(Cl)s1)NCc1ccc(F)cc1 23116281 BHYVKBZLBUMELR-UHFFFAOYSA-N 329.849 4.090 0 40 EIAB CN(Cc1ccccc1)C(=O)c1cc2cc(Br)ccc2[nH]1 24833842 ZXFOJAOVYDCYJZ-UHFFFAOYSA-N 343.224 4.203 0 40 EIAB O=C(CSc1nccn1-c1ccccc1)c1ccc(F)c(F)c1 26127820 MSMLHBBBHNGPRO-UHFFFAOYSA-N 330.359 4.126 0 40 EIAB CCCCCOC(=O)C(=Cc1ccc(O)cc1)C(=O)OCCCCC 35586068 VEHKMVIGWDNYSY-UHFFFAOYSA-N 348.439 4.242 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36620892 FZXGEIHSSXYVQL-QGZVFWFLSA-N 335.856 4.174 0 40 EIAB O=C(C1CCCC1)N(Cc1cccnc1)c1nc2ccccc2s1 36675499 RFDNRSYDICVJJK-UHFFFAOYSA-N 337.448 4.415 0 40 EIAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OC 36815583 PVMKTSBQPWGRRX-UHFFFAOYSA-N 336.229 4.387 0 40 EIAB Cc1cc(OCC(=O)N2C[C@@H](C)Oc3ccccc32)cc(C)c1Cl 41155815 DRHLZLDCMLICMA-CQSZACIVSA-N 345.826 4.150 0 40 EIAB CC[C@@H](C)c1ccc(OCC2CCNCC2)c(Br)c1 42774597 RQPCNPIJJYHKGA-GFCCVEGCSA-N 326.278 4.341 0 40 EIAB Cc1ccc(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)sc32)cn1 58157727 XOWHLNTWXJSSKD-MRXNPFEDSA-N 349.459 4.321 0 40 EIAB Cc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)N(C)C)c2c1C 59394179 KMYZCCDHWXFYII-HNNXBMFYSA-N 344.459 4.162 0 40 EIAB COc1ccc(Nc2nc3ccccc3s2)cc1N1CCCC1=O 65532872 PWQYFNJBWMKGME-UHFFFAOYSA-N 339.420 4.175 0 40 EIAB Cc1ccccc1CCNC(=O)CCC(=O)c1ccc(Cl)s1 69421344 ONRNWNULWSBDIQ-UHFFFAOYSA-N 335.856 4.032 0 40 EIAB COCc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 69698188 LWTSWQREYHHWPD-FQEVSTJZSA-N 347.418 4.139 0 40 EIAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl 72227995 UTRGGMKEXWIVID-KBPBESRZSA-N 341.625 4.062 0 40 EIAB CCOc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 72238568 KZLPBJBFJIAUPB-UHFFFAOYSA-N 343.766 4.097 0 40 EIAB Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)n1 72298871 KSVIDYQIJMQRSX-IAGOWNOFSA-N 340.492 4.278 0 40 EIAB Cc1noc(C)c1[C@H](C)NC(=O)N(Cc1ccoc1)C1CCCCC1 74222370 GLTDXIAUFISOFF-ZDUSSCGKSA-N 345.443 4.490 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1ccc2scnc2c1 85436338 MOCIVVQCKTZDCP-UHFFFAOYSA-N 334.400 4.467 0 40 EIAB CCc1noc([C@@H](C)SCCCC(=O)Nc2c(C)cccc2C)n1 96413049 GPMDRPAISAOABI-CQSZACIVSA-N 347.484 4.462 0 40 EIAB O=C(Nc1nnc(C(F)F)s1)c1ccc(Oc2ccccc2)o1 96451197 SMNMMQBIMGKTKN-UHFFFAOYSA-N 337.307 4.113 0 40 EIAB O=c1nc2n(nc1-c1ccccc1)C1(CCCCC1)Nc1ccccc1-2 101018127 DJIVWFWEQYTMJC-UHFFFAOYSA-N 344.418 4.015 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(F)cc1 222964274 GJETYWPCSLDLQA-LJQANCHMSA-N 343.442 4.349 0 40 EIAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 224455563 PVBYVLDOZVMQDX-CYBMUJFWSA-N 337.872 4.083 0 40 EIAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COC(C)C 224715341 BLOODHHXCUSAHE-UHFFFAOYSA-N 331.387 4.402 0 40 EIAB O=C(c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)N1CCCC1 225267967 PUFFURSYEPNZTD-UHFFFAOYSA-N 325.799 4.119 0 40 EIAB CCOc1cc(CNC(=S)Nc2ccc(CC)cc2)ccc1OC 225770234 YXMKOXINLLKSPD-UHFFFAOYSA-N 344.480 4.143 0 40 EIAB CCCOc1ncc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C 225911510 UNNALDWYSRUQBD-FOIQADDNSA-N 348.487 4.493 0 40 EIAB Cc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1 226269303 ZJCSHHVMGGPWFW-UHFFFAOYSA-N 334.297 4.328 0 40 EIAB CC(C)(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl 226287388 ZIYSHUFQPWTBLQ-UHFFFAOYSA-N 342.826 4.485 0 40 EIAB CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c(=O)c2ccccc21 408713012 GGBRSKLUKXOLHO-UHFFFAOYSA-N 340.810 4.236 0 40 EIAB Cc1cccc(CNC(=O)Cc2noc(-c3ccc(C(C)C)cc3)n2)c1 571983470 ABCLYWNGXYRFIM-UHFFFAOYSA-N 349.434 4.027 0 40 EIAB O=C(CCc1cccc(Cl)c1)N1CCC(Oc2ccsc2)CC1 575618002 CYWCWVHZAPDFRB-UHFFFAOYSA-N 349.883 4.404 0 40 EIAB C[C@@H]1CCCN(c2ccccc2OC(=O)N2CCc3ccccc32)C1 1661992170 KZGLDDSOEWRHPJ-MRXNPFEDSA-N 336.435 4.484 0 40 EIAB CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCc3c(F)cccc32)c1 1668227376 MWPWDOULPLUQNF-UHFFFAOYSA-N 347.777 4.032 0 40 EIAB O=C1C=C(c2ccc(Br)cc2)O[C@@H](c2ccccc2)O1 53788 GPKBEKRGAMITFW-MRXNPFEDSA-N 331.165 4.062 0 40 EIAB Cc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1C 149208 XRUKGWFNGXABNJ-UHFFFAOYSA-N 333.387 4.252 0 40 EIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2ccccc2oc1=O 262393 JOMJOOPVCSYMDZ-UHFFFAOYSA-N 348.402 4.036 0 40 EIAB CC(=O)Nc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 382421 JWHIDXXDLWEVML-FQEVSTJZSA-N 332.407 4.098 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 385923 WHONBYFXHJXDJB-UHFFFAOYSA-N 336.627 4.448 0 40 EIAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccccc2)N=C2NN=NN21 1788042 BPUVCLMPTITWGS-AWEZNQCLSA-N 327.750 4.118 0 40 EIAB Cc1ccc([C@@H]2Oc3ccccc3C(=O)N2C(=O)c2ccccc2)cc1 1851356 DZFSABKQLNSTHG-QFIPXVFZSA-N 343.382 4.369 0 40 EIAB Oc1ccc(SC(F)(F)[C@](F)(Cl)OC(F)(F)F)c(O)c1 3103050 BWNYFRIKEGXHCS-SSDOTTSWSA-N 342.644 4.181 0 40 EIAB CSc1cc(C[S@](=O)c2ccccc2)nc(-c2ccccc2)n1 3104601 KLCTYOKSMNQXPF-HSZRJFAPSA-N 340.473 4.173 0 40 EIAB O=c1[nH]c(-c2ccc(Br)cc2)cn1-c1cccc(Cl)c1 3909688 NPQUVRDKZONYFM-UHFFFAOYSA-N 349.615 4.249 0 40 EIAB CC(C)CC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305483 IHTVGLZDRITZCF-KRWDZBQOSA-N 328.481 4.014 0 40 EIAB Cn1c(-c2ccc(Cl)cc2)cnc1NC(=O)c1ccc(F)cc1 4678712 FEIDGGWNNYZSQN-UHFFFAOYSA-N 329.762 4.132 0 40 EIAB COCCn1c(-c2ccccc2)cnc1NCc1cccc(Cl)c1 4679249 VUVUYEOLTHTFLI-UHFFFAOYSA-N 341.842 4.462 0 40 EIAB CC(=O)COc1c(-c2ccc(C)cc2)oc2cc(C)c(C)cc2c1=O 5557102 SQTNSZHHZXDMGP-UHFFFAOYSA-N 336.387 4.353 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(F)cc1F 5654620 IVUXNBKXKNOWCZ-LLVKDONJSA-N 343.329 4.183 0 40 EIAB Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc21 5799177 MGZDBZYJHHSSQW-UKTHLTGXSA-N 335.794 4.377 0 40 EIAB CCOc1ccc2nc(S[C@@H]3C(=O)[C@H]4CC[C@]3(C)C4(C)C)[nH]c2c1 6380913 DMHROJCTYQWEMO-FXHACXQTSA-N 344.480 4.448 0 40 EIAB O=C(Nc1cccnc1)c1cccnc1-c1nc2ccccc2s1 6673729 VXIODMIIMCJGCG-UHFFFAOYSA-N 332.388 4.006 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2cccnc2)cs1 6830908 FRJVILSNWPWGAH-UHFFFAOYSA-N 348.431 4.258 0 40 EIAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccc(F)cc1Cl 6970938 LERXHXFQZDJRMV-MKMNVTDBSA-N 348.786 4.111 0 40 EIAB CC(C)[C@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 8013529 OBVJFWRYOCCIRG-KRWDZBQOSA-N 327.453 4.071 0 40 EIAB Clc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1 8545163 YAVKRDNXGQFNKH-UHFFFAOYSA-N 349.872 4.077 0 40 EIAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)CCC2 8705491 MRAFRONYQXSARA-CYBMUJFWSA-N 349.459 4.238 0 40 EIAB CCCn1c(NC(=O)CCc2ccccc2F)nc2ccccc21 8719954 HQNSANDVYQQHOR-UHFFFAOYSA-N 325.387 4.157 0 40 EIAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Cl)c(Cl)c1 8751275 IYJWVQPMLFJCFG-UHFFFAOYSA-N 347.201 4.059 0 40 EIAB CCCc1c(C)[nH]c2c(-c3cccc4ccccc34)c(C)nn2c1=O 9935404 PYXJZCGUMUESHK-UHFFFAOYSA-N 331.419 4.412 0 40 EIAB CC[C@@H](C)C(=O)N1CCc2cc(-c3cn4cc(C)ccc4n3)ccc21 12088190 UKOGUUMBKGPBJB-OAHLLOKOSA-N 333.435 4.245 0 40 EIAB CCn1c(C)cc2cc(NC(=O)[C@H]3OCOc4ccccc43)ccc21 12148376 HANNCUKIKBQOMP-IBGZPJMESA-N 336.391 4.016 0 40 EIAB Cc1ccccc1OCCC(=O)N[C@H]1CCSc2ccccc21 12695109 ZEDMABGIGPMCFA-INIZCTEOSA-N 327.449 4.117 0 40 EIAB COc1ccc(OC)c(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c1 12763117 VHWXOXYXIVMXQX-DHZHZOJOSA-N 349.430 4.033 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1ccc2ccccc2c1 12914614 LQOUKCWROJXBQF-GOSISDBHSA-N 346.474 4.457 0 40 EIAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(c2ccccc2)CC1 17358370 JZXNRSGARIGATD-UHFFFAOYSA-N 340.810 4.049 0 40 EIAB Fc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19361469 HLACBROTJDQZOS-UHFFFAOYSA-N 334.438 4.297 0 40 EIAB CCCCc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937304 IRPWFGAXNLXRRJ-UHFFFAOYSA-N 347.418 4.032 0 40 EIAB C[C@H]1CCCCN1c1ncc2c(n1)C[C@H](/C=C/c1ccccc1)CC2=O 20673021 DFGAGBVZPFPGFK-FNPQLZQRSA-N 347.462 4.314 0 40 EIAB Cc1cc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)no1 20745636 WSYMHZRZKMTTSS-UHFFFAOYSA-N 339.424 4.114 0 40 EIAB O=C(Nc1nncs1)c1ccccc1OCc1ccc(Cl)cc1 21214052 JLKLKVABTJICET-UHFFFAOYSA-N 345.811 4.023 0 40 EIAB Cc1cccc(OCCNC(=O)Cc2c(Cl)cccc2Cl)c1 21929388 LGERBMLJQFVKGD-UHFFFAOYSA-N 338.234 4.040 0 40 EIAB FC(F)(F)c1cccc(CSc2nnc(NC3CC3)s2)c1 22172933 LXONVONOBKPNAN-UHFFFAOYSA-N 331.388 4.424 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)OCc2nc3ccccc3s2)c1 22525715 JZJSYVDGCWLGJI-ZDUSSCGKSA-N 327.405 4.115 0 40 EIAB O=C(CCC(=O)c1cccs1)OCc1csc(-c2ccco2)n1 25454607 PHISRPWNAMKZDM-UHFFFAOYSA-N 347.417 4.171 0 40 EIAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccco1 32647703 UNAQMXGPHSRUKY-UHFFFAOYSA-N 349.321 4.388 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1cccc2nsnc12 35672817 PJBWMPNWJGQSSY-UHFFFAOYSA-N 327.409 4.123 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2ccc(F)cc2F)C1 36360207 NXMCKIBDZOUSIK-CQSZACIVSA-N 343.308 4.413 0 40 EIAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2ccsc2)C1 40287846 XLQZYFPGFBNIQB-CYBMUJFWSA-N 331.347 4.336 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2c(C)cccc2Cl)cc1 51354304 NYEFLGSKTOEQMA-UHFFFAOYSA-N 332.787 4.469 0 40 EIAB CN(Cc1cccc2ccccc12)C(=O)c1ccc2c(c1)OCCCO2 58343822 LBTIDHJHJIZDPW-UHFFFAOYSA-N 347.414 4.273 0 40 EIAB Cc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 60120776 QOIMFIWEKBDCSN-UHFFFAOYSA-N 343.427 4.160 0 40 EIAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCc1ccccc1 61002706 YZXRLYWCOJMERH-UHFFFAOYSA-N 343.833 4.322 0 40 EIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccoc2)n1 72366760 HYUREVAIHVIYQT-SFHVURJKSA-N 336.439 4.321 0 40 EIAB C[C@@H](c1cccc(O)c1)N(C)C(=O)COc1ccccc1C(C)(C)C 75107738 AZHBDZNQPPVGOY-HNNXBMFYSA-N 341.451 4.288 0 40 EIAB COc1cc(C)c(NC(=O)Nc2cc(F)c(F)cc2F)cc1OC 75138355 NYPFEPSHJNHDKJ-UHFFFAOYSA-N 340.301 4.074 0 40 EIAB CCn1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cn1 83843591 DMKRLMDGABEBFD-UHFFFAOYSA-N 338.392 4.025 0 40 EIAB O=C(c1ccc(F)c(F)c1)N1CCC(CSc2ccccn2)CC1 85557494 HFMMMVLQTJHWDU-UHFFFAOYSA-N 348.418 4.004 0 40 EIAB Cc1cnc(CNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)s1 86424939 BLMSKNKXUSUJRF-GFCCVEGCSA-N 333.432 4.026 0 40 EIAB CCSCc1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 88390606 UZPHMSIOUDEHNE-INIZCTEOSA-N 344.484 4.422 0 40 EIAB Clc1nc2c(Br)c(Br)ccc2s1 95950037 OCSKLMTWKRAQDP-UHFFFAOYSA-N 327.428 4.475 0 40 EIAB COc1ccc2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)coc2c1 101739329 CXHLUZYNQNTTFT-HLLQZAQXSA-N 341.451 4.315 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(OC)cc1 113970218 XSWLFDLJWFKSGA-VQIMIIECSA-N 341.451 4.347 0 40 EIAB C[C@H](NC(=O)CC1CCOCC1)[C@@H](C)c1ccccc1C(F)(F)F 127203051 UJFSFZKTCAONLV-OLZOCXBDSA-N 343.389 4.130 0 40 EIAB COc1cccc(-c2nnc(-c3cc4cccc(OC)c4nc3C)o2)c1 216611695 JDWLMRDWLANXKO-UHFFFAOYSA-N 347.374 4.277 0 40 EIAB Cc1ccc(C)c(CC(=O)NCCOc2cccc3ccccc23)c1 223549714 ONFGMRIDOOVUOD-UHFFFAOYSA-N 333.431 4.194 0 40 EIAB O=C(COc1ccc2c(c1)CCCC2)NC12CC3CC(CC(C3)C1)C2 224252837 WASUEJFPODRVFP-UHFFFAOYSA-N 339.479 4.029 0 40 EIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccc(C)cc1 224463653 ASRNMWPXBPEFIY-UHFFFAOYSA-N 341.451 4.359 0 40 EIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccccc2F)cc1 225446970 MHMBPTSQNFXZOF-IBGZPJMESA-N 329.415 4.280 0 40 EIAB O=C(NCCCc1ccccc1Cl)c1ccc(Cl)cc1F 225472682 RDXMQLMCUIZJKU-UHFFFAOYSA-N 326.198 4.495 0 40 EIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)CSc1ccc(F)cc1 239579001 DDFSNWHMVQWXHZ-ZDUSSCGKSA-N 343.423 4.411 0 40 EIAB COc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 390827109 UGNLGWWTWGXAQP-INIZCTEOSA-N 329.446 4.338 0 40 EIAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1 408561971 MFNGPWWBKBPSND-VZCXRCSSSA-N 340.423 4.425 0 40 EIAB Cc1ncsc1CN(C)[C@@H](C(=O)O)c1cccc(Cl)c1Cl 518387019 VXXVASVLVDXEMA-CYBMUJFWSA-N 345.251 4.016 0 40 EIAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 244046 IEZDBNMRQJCBOE-UHFFFAOYSA-N 349.839 4.319 0 40 EIAB CCc1ccccc1NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 426646 JKLUORCZNKFUSZ-UHFFFAOYSA-N 348.402 4.264 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 573744 NOPWFNUFMNOQQI-HUUCEWRRSA-N 338.451 4.024 0 40 EIAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)c(Cl)c1 578765 WAQWQGDWNGPFCR-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB Cn1nc(C(F)(F)F)c2cc(NC(=O)OCC(C)(C)C)sc21 1403839 IAZHMIFKVQAYNG-UHFFFAOYSA-N 335.351 4.248 0 40 EIAB Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn12)[C@@H](C)CCC3 2223130 PGDTZSCUJCTYIW-JTQLQIEISA-N 335.436 4.149 0 40 EIAB Cc1nc2nc(NCc3cccc4ccccc34)nn2c(C)c1Cl 2324884 USWZYNYJUJKOLL-UHFFFAOYSA-N 337.814 4.160 0 40 EIAB CSc1nnc2c3cc(C)ccc3n(CCc3ccccc3)c2n1 2450480 AEFBMBLNSNKVNC-UHFFFAOYSA-N 334.448 4.253 0 40 EIAB O=C(O)c1ccc(COc2ccc(Br)cc2Cl)cc1 2521412 XLFLHODVSITFAY-UHFFFAOYSA-N 341.588 4.380 0 40 EIAB CCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccco1 2630552 YZXBROLSARJNQU-UHFFFAOYSA-N 329.425 4.038 0 40 EIAB Cc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nnnc3N2)cc1C 2919591 GWQMUBOAGAWECO-SJORKVTESA-N 339.830 4.090 0 40 EIAB CCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2ccccc21 3354835 IUAVUYFIQKQSBX-UHFFFAOYSA-N 332.375 4.309 0 40 EIAB COc1cc(C=O)cc(Br)c1OCc1ccccc1C 4342693 RNJCWJUAYVSQIK-UHFFFAOYSA-N 335.197 4.158 0 40 EIAB CCc1ccc(N(C(=O)Nc2cccc(OC)c2)C2=NCCC2)cc1 4570565 OFQWMQUVVWRTIM-UHFFFAOYSA-N 337.423 4.488 0 40 EIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl 5439793 KNMNZJYFYWPKHG-UHFFFAOYSA-N 349.217 4.373 0 40 EIAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)=O)cc1 5442177 XZJLMTFIOQVNAL-UHFFFAOYSA-N 325.408 4.032 0 40 EIAB CCCn1c(NC(=O)c2cc(Cl)ccc2OC)nc2ccccc21 6153853 STTNFMYBBHXJLK-UHFFFAOYSA-N 343.814 4.361 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3cccs3)n2)c(OC)c1 6381512 WQPWUHARHQFHGW-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2)c(C)n1 7917627 GTDOSZGVBAOCSB-UHFFFAOYSA-N 335.860 4.040 0 40 EIAB CCc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1 8496609 XWLBPTRVKUOJDW-UHFFFAOYSA-N 334.495 4.099 0 40 EIAB O=C(c1nc(Cc2ccc(Cl)cc2)n2ccccc12)C(F)(F)F 8717021 MZXMANJXMPKFOU-UHFFFAOYSA-N 338.716 4.324 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(O)c(OC)c1 9377823 QKMQNUDXKZATMT-QGZVFWFLSA-N 346.814 4.031 0 40 EIAB Cc1nc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2n1 9635994 HWQPBKOJYVIPKJ-NSHDSACASA-N 348.431 4.028 0 40 EIAB CC(C)n1c([C@H](C)NC(=O)CC2CCCCC2)nc2cccnc21 12114075 VHZXGXBVFPOUIM-AWEZNQCLSA-N 328.460 4.160 0 40 EIAB Cc1ccccc1[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 12846684 KXAOXFJRPVHXQB-KRWDZBQOSA-N 337.448 4.096 0 40 EIAB COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14760157 ZANBLNRUVUOABN-CABCVRRESA-N 342.435 4.490 0 40 EIAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc(C)c1C 16006830 WIPDJNMHKKCJAO-UHFFFAOYSA-N 339.363 4.072 0 40 EIAB Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=O)CC(C)(C)C2 16740288 JZAAXIMSVSUGMS-UHFFFAOYSA-N 337.419 4.336 0 40 EIAB COCCOC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 18269964 QKVAAHIJWJOCOR-UHFFFAOYSA-N 347.823 4.420 0 40 EIAB Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(F)cc(F)c3)o2)c1 19297259 FYJGYDPJIOHBRS-NSHDSACASA-N 344.317 4.241 0 40 EIAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1OC 22512415 RBWQTMNXMOZZKX-YGNAEDSMSA-N 345.826 4.248 0 40 EIAB Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 22540809 IPBCSKIQJHKWHB-KRWDZBQOSA-N 338.451 4.045 0 40 EIAB CSCc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1 23244541 BVARPPAGJPVQDR-UHFFFAOYSA-N 337.391 4.081 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)O[C@H](C)c1nnc(-c2ccccc2)o1 24503445 IFOORGNGIWLMLE-CYBMUJFWSA-N 347.374 4.444 0 40 EIAB Cc1ccccc1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24931307 XPWDXAWFTOHHMI-FQEVSTJZSA-N 345.446 4.047 0 40 EIAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1 27976938 HAIYPCHKQKEILA-UHFFFAOYSA-N 335.407 4.058 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 29025059 UWTYUWFZYAGRAE-UHFFFAOYSA-N 325.408 4.334 0 40 EIAB C[C@H](C(=O)c1cccc(Cl)c1)n1cnc(-c2ccccc2)cc1=O 35597632 USRFMMUHFRQUAQ-CYBMUJFWSA-N 338.794 4.008 0 40 EIAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC12CCCCC2 35671200 LHIWJPXPUISSHI-UHFFFAOYSA-N 335.447 4.338 0 40 EIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 40142877 PIMYGBOAULMWNQ-KRWDZBQOSA-N 325.456 4.062 0 40 EIAB O=C1Cc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc2N1 49506651 QORYNGHKAMKBKW-UHFFFAOYSA-N 344.370 4.226 0 40 EIAB Cc1nc(CSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)oc1C 58162568 YDDUBUZYNYNBIP-VMPITWQZSA-N 330.388 4.011 0 40 EIAB Cc1nc(C)c([C@H](C)NC(=O)CCCC(=O)c2ccc(F)cc2)s1 58281560 LDJYHDLWYKZHPX-LBPRGKRZSA-N 348.443 4.129 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2)nc2ccccc21 65575586 DFBHBTIAEXJNNY-SFHVURJKSA-N 334.423 4.425 0 40 EIAB O=C(CCc1ccsc1)Nc1ccc(NCc2ccccn2)cc1 69424804 ZHHUXASSJYRPNX-UHFFFAOYSA-N 337.448 4.327 0 40 EIAB Cc1c(C(=O)Nc2cc(C(N)=O)ccc2Cl)oc2c(C)cccc12 69847912 PPHOYKDMRSIFCL-UHFFFAOYSA-N 342.782 4.054 0 40 EIAB Cc1cccc2c1ccn2CC(=O)Nc1nc(-c2ccccn2)cs1 71282774 NLILDWMJJSVNEM-UHFFFAOYSA-N 348.431 4.107 0 40 EIAB Cc1cccc(C)c1C(=O)Nc1cccc(CN2CCCCC2=O)c1 71916498 DGTQQOIRHITSKA-UHFFFAOYSA-N 336.435 4.068 0 40 EIAB Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)sc1C 72406173 IBLLQYQDFHGTEF-UHFFFAOYSA-N 346.843 4.066 0 40 EIAB Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)on1 91684406 HYDZMBOUWKCKQT-GXTWGEPZSA-N 338.329 4.068 0 40 EIAB O=C(CC1CCSCC1)N1CCC[C@@H]1c1ccc(F)c(F)c1 95416941 BPJSIKBWSQPFFG-MRXNPFEDSA-N 325.424 4.162 0 40 EIAB CCn1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)cn1 95429359 VXFKYWGQZPYYCQ-UHFFFAOYSA-N 330.432 4.171 0 40 EIAB CCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)NC1=S 101400689 ANAFCXXGJQFWQQ-JXAWBTAJSA-N 336.460 4.211 0 40 EIAB S=C(NC1CCC(c2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@H]1C2 106747733 SOTJPQSQGBNHSQ-ZHKILOBTSA-N 328.525 4.366 0 40 EIAB c1ccc(COc2ccccc2-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)cc1 107352432 CTGFOYKRHIJLRC-SZVBFZGTSA-N 348.402 4.351 0 40 EIAB Cc1cc(C)c(N2CC[C@@H](S[C@H](C)c3cnccn3)C2=O)c(C)c1 191161617 VTBWGZOHKMOKIC-NVXWUHKLSA-N 341.480 4.002 0 40 EIAB COc1ccc([C@H]2CCCCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)C2)cc1 206884890 OCSXGQWLJYKGIH-CAIZAGQASA-N 325.452 4.004 0 40 EIAB O=C(Cc1ccc(F)cc1)N1CCS[C@H](c2ccccc2)CC1 211142427 OVQBIMHWIXKNCB-SFHVURJKSA-N 329.440 4.075 0 40 EIAB CCc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1OC 223683191 MENMPFWYGFSLRK-UHFFFAOYSA-N 333.453 4.182 0 40 EIAB C[C@@H](NC(=S)Nc1ccc(N2CCCCC2)nc1)c1ccccc1 223957319 NFDLCWVXXBTABO-OAHLLOKOSA-N 340.496 4.120 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1 224421792 MDVVTOXKECRDAN-OAHLLOKOSA-N 329.415 4.075 0 40 EIAB COC(=O)c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl 225458544 SFHFIRNIWZYUHQ-UHFFFAOYSA-N 338.791 4.075 0 40 EIAB CCCCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225889954 HHKWGXWLBZOANN-AUUYWEPGSA-N 334.460 4.103 0 40 EIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Cl)c4)OCC[C@@]31C2 257335553 YKQSIMHOHKLHMR-JQLJIJSLSA-N 347.886 4.359 0 40 EIAB Cc1ccc(CN2C(=O)N/C(=C/c3c(C)cc(C)cc3C)C2=O)cc1 409245090 NFWWCMMAIIKEIO-YBFXNURJSA-N 334.419 4.013 0 40 EIAB C[C@@H](Cc1csc2ccccc12)NC(=O)COc1ccccc1F 575619298 CYJHKLCHIALUQC-ZDUSSCGKSA-N 343.423 4.167 0 40 EIAB Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)ccc1F 1538504711 XAKAZOSFEAQCGN-XJKSGUPXSA-N 348.215 4.183 0 40 EIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(Cl)cc1 1565524479 NNYHZUUEMKDFHL-UHFFFAOYSA-N 331.828 4.402 0 40 EIAB C[C@H]1CCCC[C@H]1CC(=O)N1CCC(c2ccnc(Cl)n2)CC1 1615003046 AHTLPFJOOWQIHS-ZFWWWQNUSA-N 335.879 4.052 0 40 EIAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Nc2ccccc2)C1 1889272309 NFWYKAMXHGZDMT-UHFFFAOYSA-N 348.450 4.423 0 40 EIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 101476 TXYUMGKLLLSYID-UHFFFAOYSA-N 340.810 4.048 0 40 EIAB Cc1cccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)c1 411517 HWIWQSZLTHANKF-UHFFFAOYSA-N 332.425 4.013 0 40 EIAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccccc2)cs1 559946 ACZRBVFFBMFOIM-UHFFFAOYSA-N 340.404 4.080 0 40 EIAB O=Cc1ccc(OCc2ccccc2Cl)c(Br)c1 1410692 QIUSDBLIUSJUQR-UHFFFAOYSA-N 325.589 4.494 0 40 EIAB O=C(O)[C@@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 1734045 CNEUIYKHILVQMV-LJQANCHMSA-N 331.371 4.220 0 40 EIAB c1ccc(-n2nnnc2Oc2ccc3oc4c(c3c2)CCCC4)cc1 3438383 GYPBYRFMNPOOHN-UHFFFAOYSA-N 332.363 4.080 0 40 EIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCC2 3451457 QOSFPYIHOLOHEA-UHFFFAOYSA-N 339.382 4.228 0 40 EIAB COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCCCC1)CC2 4222630 HPCRYVZXPBPADZ-DOTOQJQBSA-N 329.484 4.066 0 40 EIAB biogenic,in-vitro O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl 4748650 ZHOQULUCDJXAOF-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB O=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1ccco1 5029286 OQWQOCBDYHEIOE-UHFFFAOYSA-N 336.416 4.001 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)c(O)c1C 5340637 ZQMIHTPMIYMIEG-UHFFFAOYSA-N 335.407 4.268 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1 5558597 BRIOKSBDFFLUQN-ZDUSSCGKSA-N 348.240 4.472 0 40 EIAB CCc1ccc([C@@H](NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1 6789909 FDSYEULLHLIGAK-NRFANRHFSA-N 325.452 4.314 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 8040986 HALSDXRKFZPKOV-CYBMUJFWSA-N 348.240 4.472 0 40 EIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8407035 SJDXXARNGLYFQM-MRXNPFEDSA-N 343.810 4.089 0 40 EIAB O=C(NCCc1cccs1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10092524 KNSIVOVJQKNPLK-HUUCEWRRSA-N 339.382 4.229 0 40 EIAB CCCc1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)sc1C 11657220 WUMGSRJXLIFHDX-UHFFFAOYSA-N 346.452 4.228 0 40 EIAB O=C(NC1CCC(c2ccccc2)CC1)c1cc2ccccc2oc1=O 12376163 LNVCRCHEDULYFY-UHFFFAOYSA-N 347.414 4.249 0 40 EIAB COc1cccc(Nc2nnc(SCCc3ccccn3)s2)c1 12534465 MRDRGTXDMOIKSG-UHFFFAOYSA-N 344.465 4.020 0 40 EIAB Cc1occc1-c1nnc(S[C@@H]2CCCC2=O)n1-c1ccccc1 12640084 IOHVNPMGSOJNCY-MRXNPFEDSA-N 339.420 4.049 0 40 EIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(F)cc(F)c1 12928028 ATYZEERNBRQKTL-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 12942314 GUOWDPYRQXKBPR-AWEZNQCLSA-N 339.464 4.236 0 40 EIAB CSc1ccc(NC(=O)CN2CCC[C@H]2c2cccs2)cc1 14136503 CFBHGQCBNDIHBV-HNNXBMFYSA-N 332.494 4.246 0 40 EIAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCCC2 14236470 STMRANWIXZBCQT-UHFFFAOYSA-N 339.464 4.465 0 40 EIAB COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OC 15085994 BVBJAUWLIWNYNF-ZDUSSCGKSA-N 343.448 4.118 0 40 EIAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@H]1Cc2ccccc2O1 15588664 ZQNCYCWYQUAQPB-MRXNPFEDSA-N 346.411 4.392 0 40 EIAB O=C(CCC1CCCC1)N(C(=O)CCC1CCCC1)c1ncccn1 18190955 CVZPWHHBRQVNDT-UHFFFAOYSA-N 343.471 4.277 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20141730 SKUFNFFZBLWGQQ-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C(C)(C)C)n[nH]1 22748729 GPBDZIOJQCUSTQ-LBPRGKRZSA-N 346.500 4.345 0 40 EIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)OCc1cccnc1 23131012 VRBAYGORKSKJAD-UHFFFAOYSA-N 342.398 4.447 0 40 EIAB Cc1c(C(=O)OCc2nnsc2Cl)oc2c(Cl)cccc12 24225372 HXHPNBFQRHKNDD-UHFFFAOYSA-N 343.191 4.257 0 40 EIAB O=C(Nc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1Cl 24570759 FIPRXDWXKIUIIH-UHFFFAOYSA-N 332.190 4.431 0 40 EIAB COCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1 29212807 LSAMICYCOXUQOR-VQHVLOKHSA-N 337.828 4.079 0 40 EIAB CC(C)C[C@@H](CN(C)C)NC(=O)Nc1ccc(Cl)c(Cl)c1 32934682 RBVXJILMPRYVMM-LBPRGKRZSA-N 332.275 4.091 0 40 EIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 37497898 KKPRQOMFYDTMCX-GFCCVEGCSA-N 335.245 4.218 0 40 EIAB COc1ccccc1NCc1n[nH]c(=S)n1-c1cc(C)cc(C)c1 40163750 KQBVIVWSFZAVRJ-UHFFFAOYSA-N 340.452 4.167 0 40 EIAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 45709070 DWPLYYWNMGRBGG-UHFFFAOYSA-N 336.407 4.239 0 40 EIAB CCSc1ccccc1C(=O)Nc1nnc(-c2ccsc2)o1 49029135 AWPRGJMGEPGMBL-UHFFFAOYSA-N 331.422 4.162 0 40 EIAB C[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2ccccc2c1 49580992 DVPNGKGMDSPZLN-GJZGRUSLSA-N 343.430 4.488 0 40 EIAB CN(Cc1cccs1)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 57183910 ALQNDQZXLZRTHR-UHFFFAOYSA-N 349.883 4.108 0 40 EIAB O=C(CC1CCCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803613 ZKDJXDAFELVCGM-UHFFFAOYSA-N 338.455 4.190 0 40 EIAB C[C@H]1CN(C(=O)Nc2cccc3cccnc23)C[C@@H](c2ccccc2)O1 67559215 AFFJXOHYKJOMIE-KXBFYZLASA-N 347.418 4.229 0 40 EIAB CC[C@H](C)c1csc(NC(=O)c2cccn2Cc2ccncc2)n1 67931493 IVYWONNGCQLYSE-ZDUSSCGKSA-N 340.452 4.154 0 40 EIAB CCN(Cc1ccc2ccccc2n1)C(=O)/C=C/c1csc(C)n1 69628944 IPAGLPJJPHPREX-ZHACJKMWSA-N 337.448 4.062 0 40 EIAB O=C(CCc1cccs1)Nc1ccccc1Sc1nncs1 69651961 WUOCDQTXQGGPMB-UHFFFAOYSA-N 347.490 4.322 0 40 EIAB Cc1cc(C)c(NC(=O)N2CCC(c3nc(C)no3)CC2)c(Cl)c1 69709669 YULFXQBKWAHREY-UHFFFAOYSA-N 348.834 4.060 0 40 EIAB O=C(NCc1ccc(F)cc1)N(Cc1ccoc1)Cc1cccs1 90612231 GYAXOMHTXYTOCS-UHFFFAOYSA-N 344.411 4.392 0 40 EIAB Nc1nc(Oc2ccccc2)n(C(c2ccccc2)c2ccccc2)n1 95116174 DXBDYLNQNNXKPA-UHFFFAOYSA-N 342.402 4.290 0 40 EIAB C[C@@H](c1cccnc1)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 95962074 GPKXMOPMHAKDCH-ZDUSSCGKSA-N 349.409 4.480 0 40 EIAB Cc1nnc(CSCc2ccc(C(=O)Nc3ccccc3)cc2)o1 95965629 GBTKBMVRIXFAOW-UHFFFAOYSA-N 339.420 4.064 0 40 EIAB CSc1cc(C(=O)NCCc2cscn2)c(Cl)cc1Cl 95966097 GUPBTLFIIMVJOB-UHFFFAOYSA-N 347.292 4.144 0 40 EIAB C[C@@H](N[C@@H]1CCc2c(F)cc(Br)cc21)c1ccncc1 95967102 HASZEFNXAZPMFZ-QLJPJBMISA-N 335.220 4.321 0 40 EIAB Cc1cc(NC(=O)Cc2nc(-c3ccco3)oc2C)c2ccccc2n1 97000387 YFVPMFUCGGMILH-UHFFFAOYSA-N 347.374 4.281 0 40 EIAB CCN(C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 101213922 YOJGDBUKZJWVEZ-SFFNPBHPSA-N 337.548 4.233 0 40 EIAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3)nc2c1 216920654 MVQIRUPHJBLJGV-UHFFFAOYSA-N 345.196 4.169 0 40 EIAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 224286004 RGBQHIKIISOVAK-OAHLLOKOSA-N 335.403 4.392 0 40 EIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccccc1C 225756625 UXEIEEJVYIQTRF-INIZCTEOSA-N 344.480 4.450 0 40 EIAB CC(C)C1(NC(=S)Nc2cccc(N3CCCC3=O)c2)CCCC1 225870605 XVTWJIIJBXVQTP-UHFFFAOYSA-N 345.512 4.069 0 40 EIAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 225917562 BGBNWYQFFKWHIK-UHFFFAOYSA-N 336.370 4.228 0 40 EIAB Cc1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCC2)n1 226009216 BOQAFQIKZHTWAE-UHFFFAOYSA-N 342.468 4.196 0 40 EIAB Cc1cnc(CN[C@@H]2CCCCc3cc(Br)ccc32)[nH]1 585093657 XOBNNDTUMMRWMA-OAHLLOKOSA-N 334.261 4.038 0 40 EIAB CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)n1 40511 IVYUUJUTIOIUHU-UHFFFAOYSA-N 348.642 4.411 0 40 EIAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 364371 RARGSJAXHRSKIZ-UHFFFAOYSA-N 345.398 4.244 0 40 EIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 505691 BNHDUHXWCHCYML-CQSZACIVSA-N 325.408 4.420 0 40 EIAB O=S=C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1872003 QYHVTXLXNNJYRD-UHFFFAOYSA-N 333.456 4.080 0 40 EIAB CCn1c(SCc2ccc3c(c2)OCO3)nnc1-c1cccs1 4516565 JCRUDIWSOQPHLL-UHFFFAOYSA-N 345.449 4.048 0 40 EIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)NCCC1=CCCCC1 5034040 PEBIQSZWLHHMEG-CYBMUJFWSA-N 330.453 4.315 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C)s1 5054252 UVRYWZFXRRKIKS-MNOVXSKESA-N 335.498 4.479 0 40 EIAB Cc1cc(C)n2c(SCc3ccccc3C(F)(F)F)nnc2n1 5213460 YCPIOQPEYCCVBR-UHFFFAOYSA-N 338.358 4.052 0 40 EIAB CC(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 5252255 PAUFDIMSSZTLDA-UHFFFAOYSA-N 346.789 4.031 0 40 EIAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1cccc(Cl)c1 5307755 OSFLOVLGNCTSNJ-UHFFFAOYSA-N 349.839 4.076 0 40 EIAB CCn1c(C)c(C(=O)Nc2ccc(F)cc2)c2cc(OC)ccc21 5347972 ZLWVSZQJVGYCIT-UHFFFAOYSA-N 326.371 4.370 0 40 EIAB O=C(NC(c1ccccc1)c1ccccc1)c1cnc2ccccc2n1 6881799 XIAGSSBEAIJBKF-UHFFFAOYSA-N 339.398 4.149 0 40 EIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c2c(c1)OCO2 7364625 BMSXMDSNSLDJNK-KRWDZBQOSA-N 344.798 4.045 0 40 EIAB CCc1ccc(-c2csc(NC(=O)c3c(CC)noc3C)n2)cc1 7698929 JZNPTBSTVFVNEL-UHFFFAOYSA-N 341.436 4.484 0 40 EIAB c1ccc2c(-c3nnc(SC[C@H]4CCCO4)n3C3CC3)c[nH]c2c1 7791049 OMKWIUQPDMTDAF-CYBMUJFWSA-N 340.452 4.032 0 40 EIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Cl)nc1 8071956 YSQVQXMNVSEFHM-SFHVURJKSA-N 336.822 4.449 0 40 EIAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3F)n[nH]2)cc1 9734779 IWXURCHTQCZJSN-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB CCNC(=O)CNc1cc(Cl)ccc1Oc1ccc(Cl)cc1 10032035 VBPUERGQRZLBAR-UHFFFAOYSA-N 339.222 4.334 0 40 EIAB Cc1cc(C)cc(CSCC(=O)NCCCc2ccccc2)c1 10110161 UAAYMLQPAJMTHJ-UHFFFAOYSA-N 327.493 4.286 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(Cl)c1 12749025 YDVIKTGVVSKTQU-CQSZACIVSA-N 345.826 4.459 0 40 EIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C 12866064 OXXLARJWKALBIS-ZDUSSCGKSA-N 334.419 4.478 0 40 EIAB COc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC 12883638 GNAOWUIHEUQVBU-CYBMUJFWSA-N 339.391 4.283 0 40 EIAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3OC)ccc2c1 12980589 NYTHCQXHHNVYBU-OAHLLOKOSA-N 349.430 4.277 0 40 EIAB Cc1ccc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)o1 12998735 UNJANKSYOYKMAU-OCHBPSSRSA-N 326.421 4.431 0 40 EIAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc(Cl)cc3)ccc(F)c21 12999142 HVVVINKLVTVHIP-JTQLQIEISA-N 347.773 4.187 0 40 EIAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F 13109862 MFJGWBASWUCPNS-UHFFFAOYSA-N 338.162 4.072 0 40 EIAB Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 13494958 HTKUUGMIGWTNEJ-GFCCVEGCSA-N 341.798 4.189 0 40 EIAB O=C1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)cc3c2N1CCC3 14229103 YZOGQPVQUGVORQ-UHFFFAOYSA-N 348.427 4.018 0 40 EIAB Cc1cc(Cl)c(CC(=O)N2c3ccccc3C[C@H]2C)c(Cl)n1 15190153 HYDGEUMFCWHYPC-LLVKDONJSA-N 335.234 4.217 0 40 EIAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F 15352181 RGUOJDSWXASIKE-CYBMUJFWSA-N 348.368 4.485 0 40 EIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc2c1CCCC2 18116300 FPLHFZDYTHQOHD-UHFFFAOYSA-N 347.418 4.012 0 40 EIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1 19736515 BINSABBLURVTFM-UHFFFAOYSA-N 332.831 4.237 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)c(F)c1F 20030108 OQJBIAZOZULWKM-UHFFFAOYSA-N 349.337 4.183 0 40 EIAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)c(F)c1 20030111 UOUPIUDWCGHYJC-UHFFFAOYSA-N 331.347 4.044 0 40 EIAB Fc1ccc([C@H](CCN2CCOCC2)c2ccc(Cl)cc2)cc1 20591209 HXIGEHGZVUBWJV-LJQANCHMSA-N 333.834 4.333 0 40 EIAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc2c1CCCC2 21675407 ORGKEMXJQNMKFZ-UHFFFAOYSA-N 345.446 4.322 0 40 EIAB CN(C)[C@@H](CNC(=O)c1cc2c(F)cccc2s1)c1cccs1 22687702 PMDFDFOUDXQGFQ-ZDUSSCGKSA-N 348.468 4.135 0 40 EIAB Cc1c(C(=O)COC(=O)Cc2c[nH]c3ccccc23)oc2ccccc12 23950685 JHTIIBGUYBKPKT-UHFFFAOYSA-N 347.370 4.191 0 40 EIAB Cc1nccn1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 29937959 CDMJPQKWEPTBEF-UHFFFAOYSA-N 341.798 4.276 0 40 EIAB O=C(Nc1ccc(-c2cc(O)n[nH]2)cc1)c1cc(Cl)cc(Cl)c1 32912929 KXJZSDKYAOYRSH-UHFFFAOYSA-N 348.189 4.341 0 40 EIAB Cc1nc(COc2ccccc2)sc1C(=O)Nc1cccc(F)c1 36107938 ZAQABEYWMMVXDQ-UHFFFAOYSA-N 342.395 4.422 0 40 EIAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(Cl)nc2)cc1 36775060 NADYKHAPKBGUBC-UHFFFAOYSA-N 326.783 4.483 0 40 EIAB CC(C)C(=O)Nc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 46360121 ZZFFQODKKYSCHG-UHFFFAOYSA-N 335.407 4.025 0 40 EIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(-c2ccccc2)no1 46812232 CNTDHBFJVDLKMG-UHFFFAOYSA-N 342.358 4.051 0 40 EIAB COc1ccc(CNC(=O)c2ccccc2SC(C)C)cc1OC 49909768 YOFSESQFFKOKNO-UHFFFAOYSA-N 345.464 4.134 0 40 EIAB CCN(CCNc1cc(C)nc(-c2ccncc2)n1)c1cccc(C)c1 60858426 ZZPUTYGXZGEDPY-UHFFFAOYSA-N 347.466 4.094 0 40 EIAB O=C(OCc1ccc(SC(F)F)cc1)c1n[nH]c2ccccc12 64673454 GCJDKXJWWJUADI-UHFFFAOYSA-N 334.347 4.235 0 40 EIAB O=C(NCc1nc(-c2ccccc2)cs1)c1nccc2ccccc12 65564832 SGOACDBPCALHJL-UHFFFAOYSA-N 345.427 4.288 0 40 EIAB Cc1ccccc1CC(=O)NCC(c1ccccc1)c1ccccc1 69371986 HWZJUXDYPCCEIH-UHFFFAOYSA-N 329.443 4.486 0 40 EIAB O=C(OCc1ccc(F)cc1)[C@H]1CCCCN1Cc1ccc(F)cc1 72202916 JMGVFNXQOUTDBU-LJQANCHMSA-N 345.389 4.063 0 40 EIAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccs1 72289081 FWNJZLGOTPIYPG-HNNXBMFYSA-N 336.432 4.111 0 40 EIAB c1cc([C@H]2CCCN2CC2CCCCC2)nc(Nc2nccs2)n1 72377851 RPYFNXFINGRWGX-MRXNPFEDSA-N 343.500 4.394 0 40 EIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2c(F)cccc2Cl)C1 72403743 ODTIVPLIKNIOAQ-LLVKDONJSA-N 345.761 4.441 0 40 EIAB O=C(Nc1ccccc1F)NC1(c2nc(C3CC3)no2)CCCCC1 75164174 PRUAQTATGOCWKO-UHFFFAOYSA-N 344.390 4.067 0 40 EIAB NC[C@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 77028376 VZCAQVAOYRJTED-HXUWFJFHSA-N 325.452 4.003 0 40 EIAB CSC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 77440886 HHRAMGGPKXNIDL-GFCCVEGCSA-N 348.472 4.075 0 40 EIAB CCn1nc(C)c(NC(=O)Nc2cccc(-c3ncc(C)o3)c2)c1C 78937353 MDKHUPNEBCXSIP-UHFFFAOYSA-N 339.399 4.127 0 40 EIAB COc1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc(OC)c1OC 79347405 JKLIMOYGXCMWSZ-GOSISDBHSA-N 343.423 4.091 0 40 EIAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1-c1ccccn1 89466096 KERKMFHUCZQRHT-GOSISDBHSA-N 348.402 4.328 0 40 EIAB CCCn1nc(C)c(CNc2ccc(NC(=O)OCC)cc2)c1C 89960642 DVSNYPKGWJVGTB-UHFFFAOYSA-N 330.432 4.090 0 40 EIAB CCn1c(C)nnc1CSCc1ncc(-c2ccccc2)s1 91037010 IGQGEOUQPVVQTJ-UHFFFAOYSA-N 330.482 4.163 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nsc3ccccc23)C1 91364528 QLKARYPHIBRFSA-GFCCVEGCSA-N 333.457 4.108 0 40 EIAB COc1ccc(NC(=O)N2CC=C(c3cccc(C)c3)CC2)c(C)n1 92822507 XTNVWUJJAZULIH-UHFFFAOYSA-N 337.423 4.028 0 40 EIAB C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)s1 95420154 ZOHFTIHYOPXZAO-CYBMUJFWSA-N 331.872 4.497 0 40 EIAB O=C(N[C@H]1CCOC2(CCCCC2)C1)N(Cc1cccs1)C1CC1 95427125 MEZISBRAKKIEOF-HNNXBMFYSA-N 348.512 4.304 0 40 EIAB CCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc(C)ccc34)cc12 95473395 FMULJXUEQXSQGE-UHFFFAOYSA-N 348.402 4.328 0 40 EIAB Cc1nc(CN(C)[C@@H](C)c2nc(-c3ccccc3C)no2)cs1 95962834 FENPAYOUQFERIQ-LBPRGKRZSA-N 328.441 4.003 0 40 EIAB CSc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1 97998194 VMASAQXWGBKKGC-OVCLIPMQSA-N 331.343 4.031 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)n1 104743703 WGEIDCCMNAODRA-ACWOFJMJSA-N 325.456 4.044 0 40 EIAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(C)cc1 225172554 DJPCDAAUXJTBDA-QGZVFWFLSA-N 347.480 4.050 0 40 EIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOC)cc1 225745900 DXKXGBGKTSSURB-IBGZPJMESA-N 337.460 4.026 0 40 EIAB C[C@H](NS(=O)(=O)c1ccccc1)[C@@]12CC[C@H]3CC[C@@H](C[C@@H](C3)C1)C2 245238449 PCLLZZCHYLHGSS-NMDDUFOESA-N 347.524 4.350 0 40 EIAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 408767260 YSAYKMZVSDFZRH-UAFMIMERSA-N 341.410 4.055 0 40 EIAB CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)c2ccccc12 409103470 HEKZIHRHJSTSSE-LFIBNONCSA-N 327.405 4.295 0 40 EIAB O=C(NCc1cncc(-c2ccoc2)c1)c1cccc2ccccc12 575621436 XPDDLUIEEIMRHD-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB Cc1cnc(Nc2cccc(C3CCN(CC(C)C)CC3)n2)s1 585262645 NWMQYYNEEQONGV-UHFFFAOYSA-N 330.501 4.426 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)O)[C@H](C)c1ccccc1 49609 FKGMRMZWDUIXMG-DOMZBBRYSA-N 345.826 4.482 0 40 EIAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc4ccccc34)oc2c1 557342 VQESEZRJEMIWFP-UHFFFAOYSA-N 345.358 4.192 0 40 EIAB Cc1c(C)n(C[C@@H](O)CNc2ccc(Cl)cc2)c2ccccc12 571494 SYGUIGMPBJPJSN-KRWDZBQOSA-N 328.843 4.385 0 40 EIAB CCOc1ccc(-c2nnc(N(C(=O)C3CCC3)C(C)C)s2)cc1 1345580 SDMSCZLWVWNUFD-UHFFFAOYSA-N 345.468 4.145 0 40 EIAB Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2)cc1 1396584 UHVBUGBYTGAGFF-UHFFFAOYSA-N 335.794 4.381 0 40 EIAB CC(C)=C[C@@H]1[C@H](COC(=O)c2cc3c(cc2Cl)OCO3)C1(C)C 1663772 AXLBVVLIPLJARG-OLZOCXBDSA-N 336.815 4.464 0 40 EIAB in-vitro CCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21 1927040 INDZGUAZTHBZQE-UHFFFAOYSA-N 327.453 4.218 0 40 EIAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](C)C3 2219581 VOFGTLFGJBGVST-SNVBAGLBSA-N 325.799 4.123 0 40 EIAB COc1ccc(-c2cn(-c3ccc(F)cc3)c(=S)[nH]2)cc1OC 2689232 DNFQCMRPYUSOAT-UHFFFAOYSA-N 330.384 4.358 0 40 EIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3237490 NNQPAEUIORKJOW-NUWOQIAWSA-N 337.504 4.172 0 40 EIAB CSc1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 3256874 AGMLCBFDCSBUDB-UHFFFAOYSA-N 337.448 4.463 0 40 EIAB COC(=O)c1ccc(OC(=O)c2ccccc2Oc2ccccc2)cc1 3278897 LCWVRMZHBVYHFW-UHFFFAOYSA-N 348.354 4.485 0 40 EIAB COc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1F 3284067 QSLMPPOMVTYLAW-UHFFFAOYSA-N 326.323 4.050 0 40 EIAB C[C@@H](NC(=O)CSC1CCCC1)c1ccc(Br)cc1 3325674 KTVRUDDLPYMGLZ-LLVKDONJSA-N 342.302 4.302 0 40 EIAB O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1cccs1 3443712 SEWSEKIQIBVYLE-UHFFFAOYSA-N 325.433 4.027 0 40 EIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2)o1 3580241 GYXNNTGDLYZBSM-UHFFFAOYSA-N 340.404 4.240 0 40 EIAB O=C(c1ccccc1Cl)N1CCN=C1SCc1cccc(F)c1 4119874 ORRMVFRFRGDCQJ-UHFFFAOYSA-N 348.830 4.224 0 40 EIAB CC1(C)C(=O)O[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1=O 4751448 KFHURBGTJOGHMQ-CVEARBPZSA-N 328.795 4.317 0 40 EIAB Cc1cc(C)n2nc(S[C@H](C)c3nc4ccccc4s3)nc2n1 6589759 UKEVWSDOXZPGFV-LLVKDONJSA-N 341.465 4.204 0 40 EIAB CCc1ccc(OCC(=O)Nc2nnc(C(CC)CC)s2)cc1 6648239 QEVINKZKXHNTAK-UHFFFAOYSA-N 333.457 4.022 0 40 EIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 6965709 GMCAGEWRVQBZGN-QMTMVMCOSA-N 349.386 4.218 0 40 EIAB O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 7609471 DYGCFGANQFGNAU-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB COc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 7652607 VYRULEHSEZCTQY-UHFFFAOYSA-N 343.814 4.031 0 40 EIAB CCCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 7668748 GSGLWIHFPVMTAL-UHFFFAOYSA-N 349.814 4.398 0 40 EIAB C[C@@H](NC(=O)COc1cccc(Cl)c1)c1cc2ccccc2o1 7890701 VGNVYMSVBOAMRT-GFCCVEGCSA-N 329.783 4.342 0 40 EIAB O=C(Nc1cccc(C(=O)OCc2cccc(F)c2)c1)c1ccccc1 8040433 IGNXUJMSWVUJDW-UHFFFAOYSA-N 349.361 4.435 0 40 EIAB COc1ccc(Cl)cc1C(=O)N(C)Cc1nc2ccccc2s1 8264708 LPWHFEAMXUAASC-UHFFFAOYSA-N 346.839 4.231 0 40 EIAB CC(C)(C)C(=O)NCc1ccc(-c2csc(NC3CC3)n2)s1 8278346 UXUJJIWATGVMTG-UHFFFAOYSA-N 335.498 4.108 0 40 EIAB C[C@@H](O)CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8535096 CDGOIMYJMMBEHS-GFCCVEGCSA-N 340.250 4.043 0 40 EIAB CC(C)Oc1ccc(Br)cc1C(=O)Nc1ccccc1 8723050 OWFYDZMNPGXZQF-UHFFFAOYSA-N 334.213 4.489 0 40 EIAB C/C=C/c1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC 9497196 MKNYAWDURKBHQS-FNORWQNLSA-N 339.391 4.192 0 40 EIAB CCOCCCNC(=O)c1ccccc1SCc1ccccc1 10330080 VRYSEVODIARFHX-UHFFFAOYSA-N 329.465 4.135 0 40 EIAB CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 12460440 YGPSGGNINCEAFM-UHFFFAOYSA-N 345.443 4.076 0 40 EIAB COc1ccc2c(C)cc(SCC(=O)N(C(C)C)C(C)C)nc2c1 12533672 YKOWFRIGLUISKL-UHFFFAOYSA-N 346.496 4.289 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c(F)cccc3[nH]2)cc1 12792465 FOAZGUIWOXRDSL-LJQANCHMSA-N 338.382 4.293 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)cc1OC 13931401 ZHNITAABEFJPDA-CQSZACIVSA-N 344.480 4.368 0 40 EIAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ncccc1Cl 14076262 LVFXAGQAVPXRPC-LLVKDONJSA-N 334.828 4.057 0 40 EIAB O=C(NCCc1ccco1)c1ccc(C2SCCCS2)cc1 14139019 XVKVLQBDAWOHCF-UHFFFAOYSA-N 333.478 4.121 0 40 EIAB CN(Cn1[nH]c(/C=C/c2ccccc2)nc1=S)C1CCCCC1 14188869 ZSFDJQUCSSZTGJ-OUKQBFOZSA-N 328.485 4.333 0 40 EIAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 15831618 WMGOXBPDWYADAH-SFHVURJKSA-N 340.467 4.144 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1 15832399 KQYBBNWIZCYOKA-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)C1CCCC1 17178230 FQVPHKFVOZHJEK-UHFFFAOYSA-N 348.446 4.408 0 40 EIAB O=C(CCc1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 19311364 ZOUFJYCWXGZVBX-UHFFFAOYSA-N 336.410 4.431 0 40 EIAB O=C(NC1CC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20239950 IPCBAVIVKNTZHG-UHFFFAOYSA-N 348.490 4.034 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 20459500 RLLUYDRLVGVZGB-QGZVFWFLSA-N 335.806 4.295 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(OC)cc1 20493333 LHGGVQBRVMTXBW-CXAGYDPISA-N 347.842 4.383 0 40 EIAB COC(=O)c1sccc1NC(=O)CCSc1ccc(C)c(C)c1 21589277 OIYYQPCVGBLLIR-UHFFFAOYSA-N 349.477 4.272 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c(C)c1 22255028 LPRNDLLOPINZCS-UHFFFAOYSA-N 346.477 4.331 0 40 EIAB CCCCCCN1C(=O)/C(=C2\SC(=S)N=C2O)c2ccccc21 27562811 PTAMSYGWDGVNEX-YPKPFQOOSA-N 346.477 4.313 0 40 EIAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1C 28667492 WSDFRWITOXXHPO-ZDUSSCGKSA-N 339.391 4.249 0 40 EIAB CCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 29633705 KSZKASVOERIFPC-UHFFFAOYSA-N 349.814 4.146 0 40 EIAB O=C(Cc1cn2ccccc2n1)N[C@H](c1ccccc1)C1CCCCC1 32380067 ZLYHSARCFXQNAV-JOCHJYFZSA-N 347.462 4.315 0 40 EIAB COc1ccc(OC)c(CS[C@H](C)C(=O)Nc2ccccc2F)c1 32907807 DGUBCCGQOBIPLW-GFCCVEGCSA-N 349.427 4.103 0 40 EIAB O=C(Oc1ccccc1)c1nc(-c2ccccc2)n2c1CCCCC2 33146100 WBOPTFVEYUPTQA-UHFFFAOYSA-N 332.403 4.496 0 40 EIAB CCO[P@@](C)(=O)[C@@H](C(N)=O)c1csc2ccc(Cl)cc12 36377912 VGOZVZRZLDCLIO-CWTRNNRKSA-N 331.761 4.026 0 40 EIAB Cc1ccc(SC[C@@H]2CSc3nc(=O)c4ccccc4n32)cc1 36724543 VJXVBYUPESZCHB-CYBMUJFWSA-N 340.473 4.144 0 40 EIAB Cc1ccc2nc(Br)c(C(=O)O)c(C(F)(F)F)c2c1 38297930 VAANVZMODRXJQY-UHFFFAOYSA-N 334.091 4.023 0 40 EIAB Cc1cc2nc(Nc3c(C)nn(C(C)C)c3C)c3ccccc3n2n1 40153851 ABJHOKUUURPRSX-UHFFFAOYSA-N 334.427 4.329 0 40 EIAB CSc1ccc(CN(C)C(=O)Cc2c(F)cccc2Cl)cc1 40159572 CBTISDFLAZDKIZ-UHFFFAOYSA-N 337.847 4.402 0 40 EIAB CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 41019233 JJYDHNFDXVLTOP-UHFFFAOYSA-N 338.382 4.072 0 40 EIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(C(C)(C)C)no3)n2)cc1 44111003 DBXOFCNKFKMRFC-NSHDSACASA-N 343.456 4.314 0 40 EIAB Cc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2ccccc12 62001511 NOMRFTWFRSNCLG-UHFFFAOYSA-N 345.446 4.180 0 40 EIAB biogenic CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccc3ccccc23)c1 68428659 HIQZEFLPQMCSBM-AWEZNQCLSA-N 348.402 4.066 0 40 EIAB Cc1cc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)c(C)n1C(C)C 68481474 HLLGHAUFKKTRKN-QGZVFWFLSA-N 330.403 4.079 0 40 EIAB Cc1ccc(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1C 71405927 LKTFEYUWPXOQQU-HNNXBMFYSA-N 345.826 4.229 0 40 EIAB CCCc1nc(CSc2nccn2Cc2ccccn2)cs1 71903287 MPWLXKFZMJDGBC-UHFFFAOYSA-N 330.482 4.028 0 40 EIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NC[C@H]2CC=CCC2)c1 71909585 APZUUUGOTGMTGT-IZHWHUGBSA-N 348.512 4.212 0 40 EIAB CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)NCc2ccncc2)c1 72295998 KBPZUWUNAKGQOC-ZDUSSCGKSA-N 331.847 4.121 0 40 EIAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C4CCCC4)C3)n2)nc1 72377352 OLPDDUAPMJNFPX-MRXNPFEDSA-N 337.471 4.046 0 40 EIAB Cc1ccc2nc(-c3cc(N)cc(Br)c3O)sc2c1 73634594 UHYMQHODCAHHIP-UHFFFAOYSA-N 335.226 4.322 0 40 EIAB O=C(NCc1ccc(Cl)cc1)N1CCC(c2ccsc2)CC1 75157180 HPBBQLUGSUMSKA-UHFFFAOYSA-N 334.872 4.491 0 40 EIAB CCn1c(SCc2ncc(C)c(OC)c2C)nc2ccccc21 78707806 OYPZAEFSIXOPCD-UHFFFAOYSA-N 327.453 4.369 0 40 EIAB Cc1nc2cc(F)cc(C(=O)NC3CCCCCCC3)c2nc1C 84057190 RVQXZEUKWZFZMA-UHFFFAOYSA-N 329.419 4.228 0 40 EIAB O=C(OCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12 84544665 GGBHGDXVBXVZDQ-UHFFFAOYSA-N 342.398 4.442 0 40 EIAB O=C(OCc1ccc(Cl)s1)c1ccc(Cn2cccn2)cc1 84615280 MGWIWZAKBAUDGZ-UHFFFAOYSA-N 332.812 4.003 0 40 EIAB Cc1cc(OCC(=O)N[C@H](C)c2cccs2)c2cccc(F)c2n1 95427507 FIMAHUWOQXQXPW-GFCCVEGCSA-N 344.411 4.000 0 40 EIAB Cc1noc(C)c1CC(=O)Nc1cccc(COC2CCCCC2)c1 96134066 OFUSLJNDQMXLQI-UHFFFAOYSA-N 342.439 4.322 0 40 EIAB CSCc1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 96461737 HHWHIWYXPAXCMJ-HNNXBMFYSA-N 330.457 4.032 0 40 EIAB Cc1ccn(-c2ccccc2N[C@H](C)c2ccc([S@@](C)=O)cc2)n1 97038711 IYDINLAJXPDRFX-MYYSRTQBSA-N 339.464 4.091 0 40 EIAB CC(C)c1c(Cc2ccccc2)c(=O)[nH]c2cc3c(cc12)OCCO3 98086834 UGSBBFKZIQBIMI-UHFFFAOYSA-N 335.403 4.014 0 40 EIAB CSc1nnc(C)c(/C=C/Nc2cc(Cl)cc(Cl)c2)n1 100323026 GEZHVCHRMDYZLP-ONEGZZNKSA-N 327.240 4.292 0 40 EIAB Cc1cc2c(cc1C)NC1=C(O)[C@@H](c3ccc4c(c3)OCO4)OC1=N2 104240000 XNLLRYZDEPHYEY-GOSISDBHSA-N 336.347 4.029 0 40 EIAB Cc1cccnc1CNC(=O)Nc1ccccc1COc1ccccc1 105012470 HKLZNONGZOYDMO-UHFFFAOYSA-N 347.418 4.291 0 40 EIAB C[C@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1nnc(-c2cccs2)o1 108179833 DKSYQFUUULDZSV-CYDGBPFRSA-N 332.425 4.229 0 40 EIAB O=C(c1ccccn1)N1CCS[C@@H](c2ccccc2Cl)CC1 206994422 ONVGWIUDTKWGNQ-MRXNPFEDSA-N 332.856 4.055 0 40 EIAB CSc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558254 SCIYBHMHFWTOKF-JCURWCKSSA-N 341.505 4.393 0 40 EIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(F)cc3)N21 222642549 UTUDEFWKRHLGRB-HYVNUMGLSA-N 327.428 4.200 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC 222949202 YVSHILHYHQLNTO-QGZVFWFLSA-N 327.424 4.417 0 40 EIAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 224675252 DIKQIJPHEZFUII-UHFFFAOYSA-N 330.236 4.209 0 40 EIAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COC 224686928 KEBZDWGKOIHRQN-UHFFFAOYSA-N 331.437 4.206 0 40 EIAB CCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225900710 PZJUPKKNCQIMMD-AUUYWEPGSA-N 334.460 4.103 0 40 EIAB Cc1cccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc12 226034817 DTEBSZWVIWVPQN-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@H](C(=O)O)[C@@H](C(C)C)O[C@@H]21 257236543 HCPZULVAKIPIKN-ABFRBSLYSA-N 348.439 4.059 0 40 EIAB CCn1c2c(s/c1=N\C(=O)c1cccc(C)c1)CCc1ccccc1-2 408562660 RFISFVTZHCBQCJ-DQRAZIAOSA-N 348.471 4.385 0 40 EIAB CSc1ncccc1C(=O)NC[C@H](c1ccsc1)c1ccco1 618257312 UTHNPXQTXKAUSQ-CQSZACIVSA-N 344.461 4.020 0 40 EIAB Cn1cc([C@H](Nc2ncnc3sc4c(c23)CCC4)C(C)(C)C)cn1 674747495 YNSDTNRPIWTPRW-HNNXBMFYSA-N 341.484 4.113 0 40 EIAB O=C(COC(=O)c1ccc2ccccc2c1O)c1ccc(Cl)cc1 162721 DCOAKQMOVADYSC-UHFFFAOYSA-N 340.762 4.239 0 40 EIAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(C)cc1 481525 UMIVTZHJABCOPG-UHFFFAOYSA-N 338.794 4.268 0 40 EIAB O=C1N(Cc2ccccc2)c2ccccc2[C@@]12CCNC21CCCCC1 519849 YTVJAYXPZVRGQR-QHCPKHFHSA-N 346.474 4.167 0 40 EIAB biogenic CC(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 541886 UKYHOBHMIGZTKZ-UHFFFAOYSA-N 328.751 4.347 0 40 EIAB biogenic COc1ccccc1CNc1ncnc2c1[nH]c1ccc(Cl)cc12 554688 LXUZTNXMHUVINX-UHFFFAOYSA-N 338.798 4.385 0 40 EIAB CC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccco2)C=C1 978337 GCMBROLXAJOTHY-UHFFFAOYSA-N 349.234 4.035 0 40 EIAB Cc1cccc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc12 1342864 APBLGYQVUFDXAJ-UHFFFAOYSA-N 339.464 4.212 0 40 EIAB CC1CCN(C(=O)CSc2nc(C(C)C)nc3ccccc23)CC1 1342892 DXFPTJCZVVFAEN-UHFFFAOYSA-N 343.496 4.104 0 40 EIAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl 1922421 FLLIGTSAZGRQBT-QMMMGPOBSA-N 344.219 4.239 0 40 EIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Cl)cc1 1981172 DUOFOSVRZOXQJB-LBPRGKRZSA-N 331.799 4.086 0 40 EIAB CCOc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 2492921 SPSVLKFEDWDEHI-DIFFPNOSSA-N 342.464 4.126 0 40 EIAB CCOc1cc(OCC)cc(-c2cc(=O)c3cc(OC)ccc3o2)c1 2573887 UIEHURNQBCULNS-UHFFFAOYSA-N 340.375 4.266 0 40 EIAB COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 2646314 NAOAENOECBMJLB-UHFFFAOYSA-N 349.415 4.324 0 40 EIAB CC(C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 3273312 PRBLZCVYLJSEPU-GOSISDBHSA-N 345.826 4.125 0 40 EIAB C[C@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C[C@H](C)O1 4696164 XBQQSKDHKLLHLN-TXPKVOOTSA-N 341.476 4.156 0 40 EIAB CCCCCC(CCc1ccccc1)(C(=O)OCC)C(=O)OCC 4748045 NRBWMBZPEAQBDD-UHFFFAOYSA-N 334.456 4.312 0 40 EIAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1 5260282 FXMOWKPMPMGEIU-UHFFFAOYSA-N 327.380 4.294 0 40 EIAB O=C1C[C@H](c2cccs2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 6445955 AVBZCDIVERRKSE-LLVKDONJSA-N 329.812 4.266 0 40 EIAB COc1ccccc1C(=O)N(Cc1ccc(C)cc1)Cc1ccco1 6810662 LHCKEFHIDSDUNE-UHFFFAOYSA-N 335.403 4.439 0 40 EIAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1ccccc1 6864545 CJGSWNPECYLQHZ-UHFFFAOYSA-N 328.371 4.360 0 40 EIAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1[C@@H]1C[C@@H]2C=C[C@H]1C2 6927760 BIZSKJWQSUHLKB-AYOQOUSVSA-N 344.414 4.372 0 40 EIAB Cc1cc(Br)ccc1NC(=O)COc1c(C)cccc1C 7304531 GIEUYFPJJAVBDT-UHFFFAOYSA-N 348.240 4.392 0 40 EIAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 7677601 MBPPYZQARSTOKL-ZDUSSCGKSA-N 348.431 4.112 0 40 EIAB Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 7742865 STWTWHOQVWJMOI-UHFFFAOYSA-N 326.396 4.434 0 40 EIAB COc1cccc(CNC(=O)c2sc(-c3ccsc3)nc2C)c1 7961294 YDUDFNHVYBALOW-UHFFFAOYSA-N 344.461 4.119 0 40 EIAB Cc1ccc(OCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 8192805 ZESGAGNGHNMAMX-QGZVFWFLSA-N 327.449 4.117 0 40 EIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 9002243 BYUGPCOSYZHBAH-UHFFFAOYSA-N 333.453 4.236 0 40 EIAB COc1ccccc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 9255964 LXOXVVAHSPXVFL-UHFFFAOYSA-N 349.814 4.397 0 40 EIAB CSc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1Cl 12869896 NAXKMYHPIJPSNA-UHFFFAOYSA-N 341.263 4.383 0 40 EIAB COc1ccc(C(C)=O)cc1COc1cccc2c1OC(C)(C)C2 12896867 JVXSJVICRLKYNV-UHFFFAOYSA-N 326.392 4.190 0 40 EIAB Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccn2)c1 13036285 CLCKHSGCPXWGSY-TZIWHRDSSA-N 343.386 4.030 0 40 EIAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 13135680 XXPQYYCTEPHAKZ-KRWDZBQOSA-N 347.462 4.199 0 40 EIAB CN(CCOc1ccccc1)c1nc(C(F)(F)F)nc2ccccc12 16046814 GZCOHEHTVKOOHW-UHFFFAOYSA-N 347.340 4.164 0 40 EIAB S=C(Nc1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2 17450118 PGDDLUWUMQZYNE-UHFFFAOYSA-N 340.448 4.146 0 40 EIAB Cc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCCC1 21170732 AKXVUNGBBGWXAF-LJQANCHMSA-N 328.500 4.256 0 40 EIAB C[C@@H](CC(=O)Nc1nc(CN2CCCCC2)cs1)c1ccccc1 22238159 HRHSIRWPCZFTSL-HNNXBMFYSA-N 343.496 4.261 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1Cl 22603473 FUKXMHMSDHJOEU-CABCVRRESA-N 346.789 4.180 0 40 EIAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCCC1 23055319 KNGZKJVJAQXFMQ-UHFFFAOYSA-N 341.798 4.022 0 40 EIAB Cc1cccc(NC(=O)N2CCC(c3nnc(C4CC4)s3)CC2)c1 23140979 KVCNUYZOOHEDSD-UHFFFAOYSA-N 342.468 4.135 0 40 EIAB Cc1cc(C)n(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 24828813 NHZKKQTXVXAEMH-UHFFFAOYSA-N 345.752 4.201 0 40 EIAB CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 25045407 FJTJVWBRORKARW-UHFFFAOYSA-N 345.855 4.074 0 40 EIAB C[C@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)c1cc2ccccc2o1 25410423 SQQDNUAZRAQYGL-HOTGVXAUSA-N 348.446 4.057 0 40 EIAB COc1ccc(Nc2ccnc3cc(OC)c(OC)cc23)cc1OC 26739863 PPOIGSDSVMYNSD-UHFFFAOYSA-N 340.379 4.013 0 40 EIAB CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 27741258 UGKNKMKDOLJJDF-FQEVSTJZSA-N 330.516 4.465 0 40 EIAB O=C(CN(Cc1ccc(F)cc1)C1CCCCC1)Nc1nccs1 29064942 QBAAOFOGHJVECD-UHFFFAOYSA-N 347.459 4.056 0 40 EIAB CCCc1noc([C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 29832862 RTTVCZHJMCFJPQ-ZIAGYGMSSA-N 340.427 4.104 0 40 EIAB COc1cccc(CNC(=O)NC2CCC(c3ccccc3)CC2)c1 31048872 ZOIRDGFLKKWWLS-UHFFFAOYSA-N 338.451 4.221 0 40 EIAB C[C@H]1c2cccc(C(=O)NCCCOC3CCCCC3)c2O[C@@H]1C 32820881 MJWUQSXUZXMORT-HUUCEWRRSA-N 331.456 4.040 0 40 EIAB CC(C)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 32907118 VHQFYTICTJLUOB-UHFFFAOYSA-N 344.358 4.227 0 40 EIAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC=CCC2)cc1 32908704 WWVPITBZNGBYGQ-FQEVSTJZSA-N 348.490 4.388 0 40 EIAB c1ccc(-c2c[nH]c(SCc3noc(-c4cccs4)n3)n2)cc1 40051798 CDAVIMQJIXGHHX-UHFFFAOYSA-N 340.433 4.481 0 40 EIAB Cc1nc(C)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)s1 40157034 ZRRAZQIHTZJPAA-SECBINFHSA-N 343.279 4.487 0 40 EIAB CCC(C)(C)c1ccc(OC[C@H]2CCNC2)c(Br)c1 42771000 BGMVLCYHBRYTPL-LBPRGKRZSA-N 326.278 4.125 0 40 EIAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 42959962 UXGCFCGUDFTRPG-QWHCGFSZSA-N 327.350 4.189 0 40 EIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OC(F)F)c1 49547142 WYLQPYDNCHVUBX-LBPRGKRZSA-N 335.354 4.363 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2c(C)ccc3nsnc23)c1 57316045 IWAMXSSTWJSDPQ-LBPRGKRZSA-N 341.436 4.429 0 40 EIAB CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)CC 58154680 NRNUNTRHVYYPFH-JTQLQIEISA-N 342.233 4.001 0 40 EIAB COc1ccc(C(=O)Nc2scnc2-c2ccc(F)cc2)c(F)c1 69568058 VITLSORLUIUTNJ-UHFFFAOYSA-N 346.358 4.349 0 40 EIAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)cc1 71416020 UBHFFDUAEINZEV-LJQANCHMSA-N 327.449 4.086 0 40 EIAB CCn1c(SCCOc2ccccc2)nnc1-c1ccccc1 72205319 SBCXGEFXUCPKDY-UHFFFAOYSA-N 325.437 4.136 0 40 EIAB CCN(C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72212712 PWAHZEUKGNUMSA-GOSISDBHSA-N 339.439 4.011 0 40 EIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2[nH]c(C3CC3)nc2c1 79482530 SXVADYLUOXAVJS-UHFFFAOYSA-N 325.799 4.275 0 40 EIAB CC[S@@](=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 80344496 RABYKMIQWSNWFQ-DEOSSOPVSA-N 345.395 4.260 0 40 EIAB O=C(c1ncoc1[C@H]1CCCO1)N1CCCC2(CCCCCC2)C1 81304713 HNMVWNNFNBMNQQ-OAHLLOKOSA-N 332.444 4.103 0 40 EIAB CCCN(C)C[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 81571114 KRYMVIMIPBDXAH-HNNXBMFYSA-N 347.890 4.159 0 40 EIAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1ncc(-c2ccccc2)o1 84667934 VTZVBKNNKOTWDZ-CYBMUJFWSA-N 333.391 4.399 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cccnc1 85471027 XXWPAFVXJMBLBP-UHFFFAOYSA-N 343.839 4.097 0 40 EIAB Cc1ccc([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1C 95420650 MXNDPJGQMIBZRQ-GOSISDBHSA-N 336.479 4.277 0 40 EIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cl)cc1F 96125658 XRAHSFKEZYVNNQ-QGZVFWFLSA-N 333.790 4.295 0 40 EIAB C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 96483248 NFLRBCTZAOGMHB-KGLIPLIRSA-N 336.501 4.202 0 40 EIAB O=C(O)c1cccc(C(=O)Nc2ccccc2CCC(F)(F)F)c1 97036819 CZHPZQBRBLRLTN-UHFFFAOYSA-N 337.297 4.132 0 40 EIAB CSc1ccsc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 107130456 RSJSKQYHFCVQON-HOCLYGCPSA-N 347.505 4.368 0 40 EIAB CCCOc1ccc(CCC(=O)c2ccc(OC)c(OC)c2)cc1 199729091 IURNOABZBVXEAO-UHFFFAOYSA-N 328.408 4.308 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1 216255948 AREKWJIMMHQRDF-GOSISDBHSA-N 331.843 4.246 0 40 EIAB CSc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558319 SCIYBHMHFWTOKF-VUCTXSBTSA-N 341.505 4.393 0 40 EIAB COC(=O)c1cccc(NC(=S)NC2CCCCCCC2)c1C 225517430 WRJLGUFQPAFIIK-UHFFFAOYSA-N 334.485 4.181 0 40 EIAB O=C(NCc1cccc2ccccc12)c1cc(-c2ccccc2)on1 225897895 LVQIEHBENNZJAL-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB Cc1nc([C@@H](N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 527688056 MZDJWFBRNZDUQC-KRTOXCLKSA-N 331.847 4.145 0 40 EIAB Nc1nc(Cl)cc(N2c3ccccc3C[C@@H]2Cc2ccccc2)n1 1643040132 IVAIASDVAMBZCO-HNNXBMFYSA-N 336.826 4.018 0 40 EIAB O=C(CN1CCCc2ccccc21)Nc1cccc(C(F)(F)F)c1 44335 DKCFZKBEDXTFMY-UHFFFAOYSA-N 334.341 4.097 0 40 EIAB CC(=O)Nc1ccc(-c2cn3nc(-c4ccc(C)cc4)sc3n2)cc1 46988 BLMHWOKDIPSBBS-UHFFFAOYSA-N 348.431 4.392 0 40 EIAB CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 176686 XYEIXRLIJICFHU-YBEGLDIGSA-N 327.767 4.083 0 40 EIAB O=c1c2cc(F)ccc2[nH]c(=S)n1CCc1ccc(Cl)cc1 425299 XJOYSGHFWIIJLH-UHFFFAOYSA-N 334.803 4.094 0 40 EIAB Cc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 509982 NAKZERWCTZXXKH-UHFFFAOYSA-N 329.812 4.419 0 40 EIAB O=C(Nc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 523350 WALNSSCBFZGRAA-UHFFFAOYSA-N 325.799 4.412 0 40 EIAB CCN1C(SC)=NC(=O)C1(c1ccc(C)cc1)c1ccc(C)cc1 1583509 KXAZVOIAQZWSFQ-UHFFFAOYSA-N 338.476 4.128 0 40 EIAB FC(F)Oc1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1 2786533 ZYTKXTACXRBXQK-UHFFFAOYSA-N 329.228 4.017 0 40 EIAB O=C1c2ccc(Cl)cc2C(=O)N1c1ccccc1C(F)(F)F 3100118 CQDAIFIQRITFKQ-UHFFFAOYSA-N 325.673 4.159 0 40 EIAB O=C(CSc1ncnc2sccc12)c1cc2ccccc2o1 3348098 QBOFGEKLIIMGTI-UHFFFAOYSA-N 326.402 4.413 0 40 EIAB Cc1cc(C)cc(C2=N/C(=C/c3ccc(OC(F)F)cc3)C(=O)O2)c1 3362953 HNEJFNCCJTVKFY-MHWRWJLKSA-N 343.329 4.249 0 40 EIAB O=C(O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 3440454 VOURJZUOTXNCLL-UHFFFAOYSA-N 339.420 4.047 0 40 EIAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(C(F)(F)F)cc1 4834064 UTZPTHNBDRGSET-ZROIWOOFSA-N 335.256 4.189 0 40 EIAB O=C(CNCc1cccs1)Nc1ccccc1Oc1ccccc1 4969182 WYQMXFRMXCJGNV-UHFFFAOYSA-N 338.432 4.269 0 40 EIAB COc1ccc(C)cc1NC(=O)Cc1csc(-c2ccccc2)n1 5701154 BFZCAJNGMXIVBA-UHFFFAOYSA-N 338.432 4.308 0 40 EIAB CCC(=O)N1CCCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 8768628 XDRNTIBEERVRFL-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB CC(C)C[C@H](NC(=O)Cc1cccs1)c1nc2ccccc2[nH]1 9115330 AITAMOXJZXZAHO-INIZCTEOSA-N 327.453 4.071 0 40 EIAB CCOc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 10674843 OSOGVXLLEWGFLV-INIZCTEOSA-N 347.480 4.050 0 40 EIAB Cc1ccc(CN(C)CC(=O)N[C@@H](c2cccs2)C(C)C)cc1 11210194 HULSBZNBWXOFTK-LJQANCHMSA-N 330.497 4.002 0 40 EIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(N(C)C)c1 12398186 PZGSDQGHNZALJX-UHFFFAOYSA-N 326.484 4.041 0 40 EIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12987356 FTKDYCVIQZEDIS-UHFFFAOYSA-N 338.432 4.057 0 40 EIAB Cc1cc2nc(-c3ccc(=O)[nH]c3)n(Cc3ccccc3)c2cc1C 13125621 QAPSEPMTVAHENZ-UHFFFAOYSA-N 329.403 4.057 0 40 EIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(C(C)C)n[nH]1 14111505 VXCKJWUCQCMWQC-NSHDSACASA-N 328.441 4.081 0 40 EIAB CCCCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)cc(O)c12 14586100 DCXAKCWKFHIXOT-LLVKDONJSA-N 332.396 4.166 0 40 EIAB biogenic,in-vitro CCc1nc(COC(=O)c2csc(-c3ccsc3)n2)cs1 22988659 OODSYBBRVFPQRL-UHFFFAOYSA-N 336.463 4.248 0 40 EIAB O=C(CSc1ccncc1)Nc1cccc(C2SCCS2)c1 23926698 YLUQBXSFRUNFBK-UHFFFAOYSA-N 348.518 4.291 0 40 EIAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1csc2c1CCCC2 25144275 ATFTWFJHXJBMGS-WDEREUQCSA-N 331.403 4.478 0 40 EIAB COCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1Cl 26390824 YUAHIUBDEFCTFQ-CYBMUJFWSA-N 332.831 4.047 0 40 EIAB CC(C)C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 40133899 HAPXQZYENHLOII-UHFFFAOYSA-N 336.435 4.264 0 40 EIAB Cc1cc(C)c2ccc(NC(=O)Cc3c(C)[nH]c4ccccc34)nc2n1 40818252 GARPASOAQVSBLK-UHFFFAOYSA-N 344.418 4.218 0 40 EIAB COC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 46526638 INWQIAQYIFHDRW-UHFFFAOYSA-N 344.436 4.448 0 40 EIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 48276737 ZUZTWVBPWJQLPU-CYBMUJFWSA-N 343.477 4.485 0 40 EIAB Cc1ccccc1-n1ccnc1SCc1noc(CC(C)C)n1 48324163 ANNZTGFFROXXBT-UHFFFAOYSA-N 328.441 4.055 0 40 EIAB CN(C)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cn1 48333349 LERLDEUHSRSBFN-IBGZPJMESA-N 338.455 4.201 0 40 EIAB Cc1ccc(-c2noc(Cc3nnc(-c4cc(C)cc(C)c4)o3)n2)cc1 49405244 ZYUAYSQKMIOHKH-UHFFFAOYSA-N 346.390 4.303 0 40 EIAB O=c1[nH]c(CSC2=Nc3ccccc3CS2)nc2ccccc12 52463277 BPXOMSGQHJDSJC-UHFFFAOYSA-N 339.445 4.091 0 40 EIAB CC(C)OCCOCc1cccc(NC(=O)N2CCCCCC2)c1 62416879 UBRUGYMNVWOGRO-UHFFFAOYSA-N 334.460 4.036 0 40 EIAB C[C@H](CCc1ccccc1)CC(=O)N1c2ccnn2[C@H](C)C[C@H]1C 63595629 LDCOVOLPMKTGPD-BRWVUGGUSA-N 325.456 4.228 0 40 EIAB COc1ccccc1C1(CNC(=O)c2ccc3cc[nH]c3c2)CCCC1 65140185 GNARRIGAROVERR-UHFFFAOYSA-N 348.446 4.418 0 40 EIAB CC[C@@H](c1ccccc1)c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 65259441 XSXZSIJYVMDVFW-WMZOPIPTSA-N 347.418 4.132 0 40 EIAB CSc1ccsc1C(=O)Nc1cccc(CN2CCCC2)c1 69741097 QFJHPILUUGHHLW-UHFFFAOYSA-N 332.494 4.318 0 40 EIAB Cc1cc(CNC(=O)NC(c2ccccc2)c2ccccc2)c(C)o1 70640555 FHHXWVIFEFAESS-UHFFFAOYSA-N 334.419 4.485 0 40 EIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 72214544 DGGPQGNLJWAWQK-MRXNPFEDSA-N 333.476 4.246 0 40 EIAB COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cc1 72271461 TXDBEYKKWRXSBO-RHSMWYFYSA-N 344.480 4.317 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccco1 85471025 BKRRDOMSVZYGAS-UHFFFAOYSA-N 332.812 4.295 0 40 EIAB O=C(/C=C/c1cnccn1)Oc1ccc(-c2ccccc2)cc1Cl 95365055 UJOJQVKAVDJOFD-VQHVLOKHSA-N 336.778 4.416 0 40 EIAB C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 95419574 GFRDZYHAKFQRGS-IERDGZPVSA-N 347.462 4.337 0 40 EIAB COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2cncs2)cc1 95425757 WYAHAPPOYNGGTB-LJQANCHMSA-N 342.439 4.364 0 40 EIAB Cc1ccccc1CN1CC(c2nc(-c3cccc(Cl)c3)no2)C1 96096371 WYHFFCKDZNYFIQ-UHFFFAOYSA-N 339.826 4.298 0 40 EIAB COc1cc([C@H](C)NCC2CCN(C)CC2)ccc1SC(F)F 96477136 NMBQORSKCCAKOU-LBPRGKRZSA-N 344.471 4.002 0 40 EIAB Cc1nnc(CN(C(=O)c2cc(C)c(C)cc2Cl)C(C)(C)C)o1 97080321 ZVUTZEZVHOPITD-UHFFFAOYSA-N 335.835 4.089 0 40 EIAB O=C(O)CCc1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 97166007 DAGIFGMPGCHTCL-UHFFFAOYSA-N 341.338 4.077 0 40 EIAB Cc1ccccc1C1CC(Nc2cc(F)cc(N3CCOCC3)c2)C1 97371335 CUIKQEXVZPRSBN-UHFFFAOYSA-N 340.442 4.329 0 40 EIAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 100419748 LBGWGGOCFXVPPL-VXKWHMMOSA-N 348.490 4.311 0 40 EIAB OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 140524844 YVTSVEWVWPRKMB-UHFFFAOYSA-N 343.470 4.435 0 40 EIAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccccc2)no1 198243229 HYQPKYYYZJFVGA-UHFFFAOYSA-N 349.434 4.433 0 40 EIAB COc1cccc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 211140685 RRCRNPUWSRUXGB-GOSISDBHSA-N 327.449 4.016 0 40 EIAB CCCCCO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217810388 CXKVSHBMHUIBLO-HNNXBMFYSA-N 330.302 4.012 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccccc2)CC1 224525483 GTQVAXCCVNOXPA-GOSISDBHSA-N 330.516 4.231 0 40 EIAB COc1ccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225086112 XHEUFRLFZUBMQQ-OAHLLOKOSA-N 341.190 4.077 0 40 EIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289120 ODTLXGOCHYMKRS-GOSISDBHSA-N 347.462 4.348 0 40 EIAB CCOc1ccccc1CCCNC(=O)CCc1ccc(C)c(C)c1 225684312 CNMZTIWEMCMODU-UHFFFAOYSA-N 339.479 4.384 0 40 EIAB Fc1ccccc1CN[C@H]1CC[C@H](NCc2ccccc2F)CC1 242750643 ZUHNAMVIPHBHSV-IYARVYRRSA-N 330.422 4.155 0 40 EIAB FC(F)(F)c1cccc([C@@]2(F)CCN(C[C@@H]3CCSC3)C2)c1 549824186 JXGIEHLCZJXPFA-SWLSCSKDSA-N 333.394 4.329 0 40 EIAB C[C@@H](c1cccc(O)c1)N(C)C(=O)c1sc2ncccc2c1Cl 1635667534 IWBGHLYWGAHZFE-JTQLQIEISA-N 346.839 4.489 0 40 EIAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccccc1 118906 STIMAFHJVZTYAE-UHFFFAOYSA-N 348.398 4.324 0 40 EIAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 567898 PRVQDCNRANDALL-UHFFFAOYSA-N 349.386 4.277 0 40 EIAB O=C1CN=C(c2ccc(F)cc2)c2oc3ccc(Cl)cc3c2N1 1424564 GVJVLDRZJJXHSK-UHFFFAOYSA-N 328.730 4.015 0 40 EIAB CCSc1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 4079106 CEHGKLDQUUXRSX-UHFFFAOYSA-N 337.514 4.195 0 40 EIAB COCCn1cc(NC(=O)NCCC2=CCCCC2)c2ccccc21 5266375 PQYPOMAYAWDWIK-UHFFFAOYSA-N 341.455 4.300 0 40 EIAB Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O 5440045 BSMWNYLELYLHEH-UHFFFAOYSA-N 328.799 4.028 0 40 EIAB Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)c(C)c1 6271959 VQTIPLLFYBZMJF-UHFFFAOYSA-N 338.432 4.444 0 40 EIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3cnccc23)cc1 6415558 FTKXHSBHVUBANV-UHFFFAOYSA-N 340.448 4.333 0 40 EIAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCCC1 6495583 RYVWMTPCLNFVBZ-UHFFFAOYSA-N 344.436 4.100 0 40 EIAB Cc1ccc(NC(=O)CCCSc2nc3ccccc3[nH]2)cc1 6566856 VWPJGPRVHZJKCW-UHFFFAOYSA-N 325.437 4.382 0 40 EIAB CCc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 7435590 HNNPRQSBLVGKKK-UHFFFAOYSA-N 327.472 4.290 0 40 EIAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccccc1 7618828 NRPMWZFDGQYKRN-UHFFFAOYSA-N 337.400 4.158 0 40 EIAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 7935361 UVFCKCXHQDHAGL-ZDUSSCGKSA-N 331.437 4.132 0 40 EIAB CCCn1ccnc1SCC(=O)Nc1ccccc1C(F)(F)F 7942346 SSXFDMRLNBVKEE-UHFFFAOYSA-N 343.374 4.043 0 40 EIAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc2ncccc12 7990640 IQSHOLORKXJNNF-UHFFFAOYSA-N 334.444 4.454 0 40 EIAB COc1cccc(CCC(=O)N2CCC[C@@H]2c2cccs2)c1OC 8230584 NGSPDMNUTPWBLT-OAHLLOKOSA-N 345.464 4.062 0 40 EIAB COc1ccc2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c1 10370688 RIGPJOMAPARALN-IFXJQAMLSA-N 326.440 4.226 0 40 EIAB COc1ccccc1NC1=NN=C(c2ccc3c(c2)CCC3)CS1 15405288 PWZLNBRMACDNJI-UHFFFAOYSA-N 337.448 4.103 0 40 EIAB COc1ccc2nc(SCc3cc4c(cc3Cl)OCO4)[nH]c2c1 16227786 PUXPVEFKOHVJMX-UHFFFAOYSA-N 348.811 4.246 0 40 EIAB COc1cc(C(C)=O)ccc1OCc1ccccc1Br 19437294 CCLCLASIWSLNOA-UHFFFAOYSA-N 335.197 4.239 0 40 EIAB Cc1ccn2c(=O)cc(COc3ccccc3-c3ccccc3)nc2c1 23659237 UVFHFPPQROTNAY-UHFFFAOYSA-N 342.398 4.249 0 40 EIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cnc2ccccc2n1 24871355 PEMUIOTYXCHVBV-UHFFFAOYSA-N 325.371 4.134 0 40 EIAB CSc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 26361843 NQDIQAGQSOMWSD-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB CSc1cccc(NC(=O)c2cc(Br)ccc2O)c1 28817431 GGYPZDXJMHLYGO-UHFFFAOYSA-N 338.226 4.129 0 40 EIAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 32502512 HYSCQXLOCBEFPE-UHFFFAOYSA-N 338.436 4.150 0 40 EIAB Cc1c(Cl)cccc1NC(=O)NC[C@H](c1ccsc1)N(C)C 40096503 HTPIGDHLMOBYBX-OAHLLOKOSA-N 337.876 4.134 0 40 EIAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478267 WRKJFYBPHXOARR-UHFFFAOYSA-N 333.725 4.261 0 40 EIAB CCOc1ccc2[nH]c(C)c/c(=N\c3ccc(NC(C)=O)cc3)c2c1 41127854 BCTZAPGNYIHWDH-UHFFFAOYSA-N 335.407 4.066 0 40 EIAB O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1c1ccccc1 58166329 DENOCIFHVLYTRZ-FQEVSTJZSA-N 340.386 4.105 0 40 EIAB Cc1ccc(Oc2ccc(NC(=O)C(=O)c3ccc(C)cc3)cn2)cc1 58369923 ZLVTYUYPKUEDKR-UHFFFAOYSA-N 346.386 4.312 0 40 EIAB CC(C)(C)[C@@H](NCC(=O)N1CCc2ccccc21)c1cccs1 58377461 YVEXUHRGFGKBHM-SFHVURJKSA-N 328.481 4.014 0 40 EIAB O=C(C[C@@H]1OCCc2ccsc21)N1CCC[C@H]1c1ccsc1 69564728 WBKFQBCPHUVFED-GJZGRUSLSA-N 333.478 4.177 0 40 EIAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 69657248 WNSZWASLBICJFV-GOSISDBHSA-N 331.419 4.027 0 40 EIAB COc1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1F 71325921 CPRQCBONSPFLQH-UHFFFAOYSA-N 340.807 4.305 0 40 EIAB O=C(Nc1cnn(CC(F)(F)F)c1)c1cc2cc(F)ccc2s1 71911122 XABWSEVKVXNGQY-UHFFFAOYSA-N 343.305 4.052 0 40 EIAB Cc1nc(N2CCc3ccccc3C2)ccc1[C@@H](N)c1ccccc1 72224942 NZGOFMISNXKNNU-QFIPXVFZSA-N 329.447 4.001 0 40 EIAB Cc1ccc(-c2nnc(-c3nc(-c4ccc(C)cc4)oc3N)o2)cc1 72238711 YMUHGZFPADJBEC-UHFFFAOYSA-N 332.363 4.258 0 40 EIAB CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 72346628 VNBQJFAKIYBISH-JFIYKMOQSA-N 343.467 4.144 0 40 EIAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1O 76276214 WPKUZOSILHYIPQ-UHFFFAOYSA-N 336.229 4.474 0 40 EIAB Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 81000271 OFCGXLRXCRPVCZ-IRXDYDNUSA-N 348.450 4.000 0 40 EIAB CCc1cnc(CSCc2cc(Cl)cc3c2OCOC3)o1 89289622 QVPULDGOPVQTKJ-UHFFFAOYSA-N 325.817 4.190 0 40 EIAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 89922272 NHKUBOHGHBABCN-UGSOOPFHSA-N 349.434 4.013 0 40 EIAB COCc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)c2cccs2)o1 96503263 WPTDRQWZLFDXQB-UKRRQHHQSA-N 348.468 4.138 0 40 EIAB c1ccc(CN2[C@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@@H]32)cc1 100213603 FNMXQOJCWACGTM-GOTSBHOMSA-N 337.426 4.147 0 40 EIAB CCOc1ccc([C@H]2C=C(c3ccc(C)cc3)N=C3N=NNN32)cc1 100536596 PSFHJIXOWIAKGG-GOSISDBHSA-N 333.395 4.033 0 40 EIAB Cc1ccc(C)c(N(C(=O)c2cc(-c3cccnc3)on2)C(C)C)c1 102840147 RWQCKAADVPOPJF-UHFFFAOYSA-N 335.407 4.409 0 40 EIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 118916297 XBSQQVJXPODPRW-ZVLKMEQASA-N 344.495 4.386 0 40 EIAB Cc1ccsc1[C@@H](C)NC1CCN(C(=O)c2ccccc2F)CC1 155149870 JOBUPHQSBGMGKJ-CQSZACIVSA-N 346.471 4.151 0 40 EIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223080538 QDXVBYUQFWHOJJ-MSOLQXFVSA-N 341.480 4.288 0 40 EIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 223323754 WFZMBLBKHSUFFO-QGZVFWFLSA-N 339.435 4.426 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCOc1cccc2ccccc12 223559058 NSAWSKGSPUSYSP-UHFFFAOYSA-N 349.430 4.436 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223694405 ZDKZDSRCUBICME-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB COc1cccc(C(=O)NCCCc2cccc3ccccc23)c1OC 225049307 MFIPTXFAVULWRV-UHFFFAOYSA-N 349.430 4.220 0 40 EIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1C 225298798 UQRQDOVBMNWLPC-OAQYLSRUSA-N 347.462 4.429 0 40 EIAB Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1F 225605279 NWYFBOCSZOTAPD-SFHVURJKSA-N 335.444 4.200 0 40 EIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)o1 257264692 LVRDLDDJHGZKPX-LJQANCHMSA-N 348.402 4.377 0 40 EIAB CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2cc(C)ccc21 408713356 UZIDIGUMKPPSBO-UHFFFAOYSA-N 334.419 4.199 0 40 EIAB CC(C)CCn1nccc1NC(=O)N1CCc2cccc(F)c2[C@H]1C 547671972 QVGFNQKURGJPMO-CQSZACIVSA-N 344.434 4.220 0 40 EIAB C[C@@H](NC(=O)c1ccoc1C1CC1)c1nc2ccc(Cl)cc2[nH]1 585079822 SAKVYLDTMRQXOM-SECBINFHSA-N 329.787 4.178 0 40 EIAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 64880 IQFJSBWJWYYZAV-MHWRWJLKSA-N 349.386 4.057 0 40 EIAB Cc1ccc(SCC(=O)Nc2ccc(Br)cc2)cc1 167266 JSOAEOAADSSLFZ-UHFFFAOYSA-N 336.254 4.488 0 40 EIAB CCOc1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1 527127 UYIWOCKZTSLPFJ-UHFFFAOYSA-N 328.441 4.299 0 40 EIAB O=C1O[C@H](CC(=O)c2ccc(Cl)cc2Cl)C(Cl)=C1Cl 1618360 PXRLVDGPDMTNGF-SECBINFHSA-N 339.989 4.181 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C 1649319 KPMWGGRSOPMANK-LRDDRELGSA-N 336.815 4.350 0 40 EIAB in-vitro COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2080144 SZDJMTUIBFREFD-UHFFFAOYSA-N 333.815 4.455 0 40 EIAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c(C)o1 2636364 SBIJOFXGBIZTRQ-UHFFFAOYSA-N 349.386 4.359 0 40 EIAB O=C(CSc1nc2ccccc2o1)Nc1ccc(F)c(Cl)c1 2771254 UGTIFLFMNOACPR-UHFFFAOYSA-N 336.775 4.351 0 40 EIAB O=C1c2ccc(Cl)cc2C(=O)N1c1c(Cl)cccc1Cl 3204477 NTPOHDBKYWLUOP-UHFFFAOYSA-N 326.566 4.447 0 40 EIAB O=C(Nc1nc2c(s1)CCCC2)c1cccc(C(F)(F)F)c1 3290761 GUWHYZWHMVLGOO-UHFFFAOYSA-N 326.343 4.293 0 40 EIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1c(F)cccc1F 3427024 WBXNOXOXSKEZQV-UHFFFAOYSA-N 331.240 4.001 0 40 EIAB Cc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1C 3481980 ZQALDKQBDLEMOK-GOSISDBHSA-N 325.408 4.114 0 40 EIAB CCCc1nc2ccccc2c(NC(=O)CNC(C)(C)C)c1CC 4043566 XJKGLHXLPKXIDN-UHFFFAOYSA-N 327.472 4.076 0 40 EIAB O=C(Cc1cccs1)Nc1cccc(-c2cn3ccsc3n2)c1 4249022 SFKKGRTXEKJEIW-UHFFFAOYSA-N 339.445 4.306 0 40 EIAB C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 4488766 HZUOOGXVGUDHJW-AAOUONPWSA-N 329.421 4.030 0 40 EIAB CC(C)CCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4699158 AZYNEENIDPLHAG-UHFFFAOYSA-N 338.451 4.294 0 40 EIAB CCSc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1 4748365 IMWCUXKICOWSDH-UHFFFAOYSA-N 338.411 4.279 0 40 EIAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)c1ccccc1Cl 4986760 ZWBJXKXULVJBON-JTQLQIEISA-N 348.834 4.305 0 40 EIAB Cc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C 5164480 AWCMRVVDUGXYJZ-XSEIIIHRSA-N 332.447 4.022 0 40 EIAB O=C(COc1ccccc1Cc1ccccc1)NCC1CCCCC1 6639831 IGOBSGNRZUBECY-UHFFFAOYSA-N 337.463 4.353 0 40 EIAB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccccc1C(=O)O 6962444 CBBXJXPUJCRUAL-YDZHTSKRSA-N 343.386 4.415 0 40 EIAB O=C(NCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 9053458 QASQGQATMWJWDS-UHFFFAOYSA-N 347.443 4.060 0 40 EIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2nccnc2c1 9363910 LSYDTSALGJFKSA-UHFFFAOYSA-N 335.407 4.188 0 40 EIAB COc1ccc(NC(=O)c2ccc(CN(C)C3CCCC3)cc2)cc1 10219980 SKAMZFQSLRAPJG-UHFFFAOYSA-N 338.451 4.322 0 40 EIAB CC(C)/N=c1\ccccn1C(=O)COc1ccccc1-c1ccccc1 10798527 BBAHDIGNWPTMHE-XTQSDGFTSA-N 346.430 4.183 0 40 EIAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cccc2ncccc12 11759697 TXKZWFSQVSSSBT-QGZVFWFLSA-N 337.448 4.072 0 40 EIAB O=C(O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12408137 ODFHZTYZRDSPAK-UHFFFAOYSA-N 332.346 4.056 0 40 EIAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccs2)c1 12748679 VWILMJONJYFKAH-UHFFFAOYSA-N 343.473 4.452 0 40 EIAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 12862238 AFTCZMDVYJXYRJ-CZUORRHYSA-N 348.899 4.243 0 40 EIAB COc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1OC(C)C 13110155 PRKBEOSLFXUJDT-UHFFFAOYSA-N 325.836 4.008 0 40 EIAB Cc1cccc2cc3c(nc12)O[C@@H](C)CN(CCc1ccccc1)C3 13563842 JVSBSXSTLCSGEL-KRWDZBQOSA-N 332.447 4.369 0 40 EIAB C[C@H]1CCCN(C(=O)CSCc2c(Cl)cccc2Cl)C1 13670985 UVNGHTFABBBLRJ-NSHDSACASA-N 332.296 4.485 0 40 EIAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(C)c1 13759173 VRCIQJLEMLNGMJ-UHFFFAOYSA-N 348.446 4.197 0 40 EIAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1 14155048 ABUMUHLBHGWSAK-AWEZNQCLSA-N 330.387 4.136 0 40 EIAB O=C(CCCc1ccc(Br)s1)Nc1ccccc1O 14197541 VBUMVKWNELTVLN-UHFFFAOYSA-N 340.242 4.178 0 40 EIAB CSc1ccc(C(=O)c2cc3ccccc3o2)cc1NC(C)=O 14198225 CVLUZVPBYKSASD-UHFFFAOYSA-N 325.389 4.344 0 40 EIAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1nc2ccccc2o1 15091714 QPVBYYJRZTVZHS-ZHACJKMWSA-N 349.415 4.109 0 40 EIAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 17122890 ZAMWKEDVTQOREE-IYBDPMFKSA-N 329.465 4.020 0 40 EIAB O=C1Cc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2N1 17191946 VKMLMCXIETZVSY-UHFFFAOYSA-N 328.371 4.101 0 40 EIAB Cc1ccc2[nH]c(S[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 21346000 NDZXEAVXECABOO-MGPQQGTHSA-N 331.485 4.047 0 40 EIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F 27583774 QRHYONXGROQRHJ-SFHVURJKSA-N 346.833 4.046 0 40 EIAB COc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 28231835 FDFQYIDZYDJDMH-UHFFFAOYSA-N 327.405 4.192 0 40 EIAB Cc1ccc(Cl)cc1NC(=S)N1C(=O)CSc2ccccc21 28527729 QYIWASHXJRWTQY-UHFFFAOYSA-N 348.880 4.484 0 40 EIAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccs1 28574292 JZMKACJVNIVFGI-UHFFFAOYSA-N 335.791 4.038 0 40 EIAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 29408322 INVDIDBPNYGGOO-ZDUSSCGKSA-N 332.831 4.405 0 40 EIAB CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@@H](c2ccccc2)C1 30029042 WIHYVDVFVRXVAO-QGZVFWFLSA-N 349.261 4.122 0 40 EIAB COc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1 31206258 NXNYFANOCJLTPJ-UHFFFAOYSA-N 328.393 4.281 0 40 EIAB C[C@@]1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1(Cl)Cl 32818709 UFYLVLMLLIKTPB-AWEZNQCLSA-N 325.195 4.228 0 40 EIAB COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 34997037 GMXMKSFJQLFOSO-IIBDXVJDSA-N 344.407 4.200 0 40 EIAB biogenic CC1=NN(c2ccc(C(=O)N[C@H](C)c3cc(C)sc3C)cc2)CC1 40133383 DZULMALFICLVED-CQSZACIVSA-N 341.480 4.442 0 40 EIAB COC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 40995911 WFGJXAWIGMMDGY-UHFFFAOYSA-N 325.408 4.168 0 40 EIAB CC(C)c1ccc(OCCC2CCNCC2)c(Br)c1 42770492 XWLIFAHOFGGYHV-UHFFFAOYSA-N 326.278 4.341 0 40 EIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 44848658 ABPSPAFOMLNLIZ-JKSUJKDBSA-N 343.492 4.313 0 40 EIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)CC3CC3)cc2)o1 47903713 GQBJMCJUUDTLIN-UHFFFAOYSA-N 347.418 4.194 0 40 EIAB CCN(Cc1ccccc1)C1CCN(Cc2ccccc2OC)CC1 54992156 MOJFAABJODCYDA-UHFFFAOYSA-N 338.495 4.182 0 40 EIAB CC(C)NC(=O)Nc1ccc(CNCc2csc(C(C)C)n2)cc1 58202774 FHQQORNTBSVMOZ-UHFFFAOYSA-N 346.500 4.086 0 40 EIAB C[C@H](CNc1cc(-c2ccccc2)c2ccccc2n1)N1CCOCC1 58356087 SQFTUSKBIPGAFO-QGZVFWFLSA-N 347.462 4.034 0 40 EIAB O=C(Nc1ccccc1C(F)(F)F)c1csc(-c2ccncc2)n1 62636602 ZWMZCGCTGVPFRV-UHFFFAOYSA-N 349.337 4.476 0 40 EIAB COC(=O)c1cc(OCc2ccc(Cl)cc2)c2cc(F)ccc2n1 65033335 QVVDIQAFYINMAL-UHFFFAOYSA-N 345.757 4.393 0 40 EIAB CCn1c([C@H](C)Nc2nccc(C(F)(F)F)n2)nc2ccccc21 68321868 FXNXNWJOWFPWPE-JTQLQIEISA-N 335.333 4.038 0 40 EIAB Cc1ccccc1NC1CCN(C(=O)c2c(C)noc2C(C)C)CC1 69380229 INQLHIFJYXPOSN-UHFFFAOYSA-N 341.455 4.132 0 40 EIAB CC1CCN(CCCNC(=O)Nc2ccc(Cl)cc2Cl)CC1 71805234 JVIMFXFRLASGLK-UHFFFAOYSA-N 344.286 4.237 0 40 EIAB CC(C)=C[C@H]1[C@@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C 71843935 SIWFRZQWKUWBDM-HOTGVXAUSA-N 345.487 4.282 0 40 EIAB Cc1n[nH]c(C)c1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 71899835 GRCZBLRNCBQYSE-UHFFFAOYSA-N 343.333 4.349 0 40 EIAB Cc1nc(N)sc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 89263096 PIAKJOSZMPSNHK-UHFFFAOYSA-N 327.196 4.058 0 40 EIAB COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)cc1 89423803 XDMYXIFEGTUUNY-UHFFFAOYSA-N 341.329 4.343 0 40 EIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)Cc1c(C)noc1C 95399538 AVHBOEAZGDPXAT-ZDUSSCGKSA-N 345.443 4.140 0 40 EIAB O=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2C(=O)c1ccccc1 95951746 IMEAOUHJWLFXCD-SVFBPWRDSA-N 333.431 4.054 0 40 EIAB biogenic CC[C@](CNC(=O)Cc1c(F)cccc1Cl)(OC)c1ccccc1 96123739 CHXUPYCOLOWVNQ-LJQANCHMSA-N 349.833 4.090 0 40 EIAB CCN(C)C(=O)c1cc(-c2csc(C(C)C)n2)n2ccccc12 96154842 XBDVUWZKXDLWIV-UHFFFAOYSA-N 327.453 4.278 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 96621756 QLMYCYNHXFLIGK-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB O=C(O)c1ccc(NC(=O)c2cccc(F)c2Cl)cc1Cl 97017590 CJPGKYCDKQVONN-UHFFFAOYSA-N 328.126 4.083 0 40 EIAB CCC[C@H](O)c1noc(-c2cccc(OCc3cccc(C)c3)c2)n1 97378063 JTKQQAFUVZFFIF-SFHVURJKSA-N 338.407 4.458 0 40 EIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 100743757 VNJWARKBEPNOEI-KDURUIRLSA-N 333.387 4.243 0 40 EIAB Cc1nc(C)c(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)s1 206670828 MCAXCWCENNXPGD-OAHLLOKOSA-N 332.444 4.309 0 40 EIAB CCOc1ccc(CCCNC(=O)c2ccc(OC(C)C)cc2)cc1 218984692 OXCXWOPCLDXSNE-UHFFFAOYSA-N 341.451 4.235 0 40 EIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2c[nH]c3ccccc23)S1 222585909 WAAYIKXBXNEMJD-IGNZVWTISA-N 334.448 4.152 0 40 EIAB COc1ccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225083324 BXWBDVQFBNOGQP-CQSZACIVSA-N 341.190 4.077 0 40 EIAB CC(C)c1ccc(OCC(=O)N[C@H](C)C(C)C)c(Br)c1 225210312 TYMWFHKMIGEENK-GFCCVEGCSA-N 342.277 4.112 0 40 EIAB O=C(NCc1ccnc(-c2ccsc2)c1)Nc1ccccc1F 225757601 KATWZWDHTCECES-UHFFFAOYSA-N 327.384 4.271 0 40 EIAB O=C(NCc1cccnc1-c1cccs1)c1ccc(Cl)s1 225759216 WWZHEXXATKMURR-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB CC(C)N(Cc1cccnc1)C(=O)c1ccc2nc(Cl)sc2c1 225978123 QJENMBCCZFAKGV-UHFFFAOYSA-N 345.855 4.396 0 40 EIAB CCN(CC)c1ccc(NC(=O)c2cc(N)ccc2Cl)c(C)c1 226272395 GHAHNULJKQEBTN-UHFFFAOYSA-N 331.847 4.329 0 40 EIAB C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 299888319 FMPNFDSPHNUFOS-XUBQYUOCSA-N 345.527 4.419 0 40 EIAB C[C@@H](NC(=O)c1ccc2scnc2c1)c1cccc(OC(F)F)c1 1124995064 PAERHZDRFNKVSJ-SNVBAGLBSA-N 348.374 4.389 0 40 EIAB CCCN1CC[C@H]2CC(=O)Nc3cc(C(C)C)ccc3OCC[C@H]2C1 1534646933 XALWCXQUJMLHQR-ROUUACIJSA-N 344.499 4.269 0 40 EIAB CN(C)[C@@H](CNC(=O)Nc1cccs1)c1csc2ccccc12 1565519557 IDIIJNCWNDPQSA-AWEZNQCLSA-N 345.493 4.387 0 40 EIAB COc1ccc(NC(=O)c2sc3nc4ccccc4cc3c2N)cc1 384004 DLUNTCWGCIAODJ-UHFFFAOYSA-N 349.415 4.293 0 40 EIAB O=C1c2ccccc2C(=O)N1CC[C@H](Cc1ccccc1)c1ccco1 489417 WCPYZSCQVJNBCM-QGZVFWFLSA-N 345.398 4.292 0 40 EIAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1c1ccccc1F 507304 OPFOISRQECIOAS-IBGZPJMESA-N 344.345 4.145 0 40 EIAB O=c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2F)o1 550288 OFXUKUXDGVAPQV-UHFFFAOYSA-N 346.155 4.270 0 40 EIAB CCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(F)cc2)s1 1356317 WMCXQJADJZYSAA-UHFFFAOYSA-N 333.432 4.277 0 40 EIAB O=C(c1ccccc1)c1sc(NC(=O)C2CC2)nc1-c1ccccc1 1518429 IMSJXWBZNRCYHG-UHFFFAOYSA-N 348.427 4.390 0 40 EIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1678241 LZSJASSXOILRIY-RTBURBONSA-N 335.403 4.087 0 40 EIAB CCCCCc1nc2sc3c(c2c(=O)n1N)CC[C@H](C(C)(C)C)C3 1857036 PQSXPSNBASJQMK-LBPRGKRZSA-N 347.528 4.056 0 40 EIAB CC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc2c(c1)OCO2 2095821 CMXBSXMYHNZPFE-QGZVFWFLSA-N 343.423 4.187 0 40 EIAB biogenic CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1)CO3 2160408 PPOKVUNTZLEQFX-UHFFFAOYSA-N 335.403 4.329 0 40 EIAB biogenic O=C(c1ccc(Br)cc1)c1cccc(Br)c1 2567527 ZHJZMUSEZIVLML-UHFFFAOYSA-N 340.014 4.443 0 40 EIAB Cc1cccc(OCC(=O)N(c2nccs2)C2CCCCC2)c1 3298860 XFTVDOHJUGFZJG-UHFFFAOYSA-N 330.453 4.196 0 40 EIAB CC(C)Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033487 UIXMEILPPRHPHN-GOSISDBHSA-N 347.462 4.208 0 40 EIAB Cc1cccc(Cn2cccc(C(=O)Nc3cccc(C)c3C)c2=O)c1 5269697 HOVZNFXZVIOIER-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB COc1ccc2cc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)[nH]c2c1 5323945 HRRXLTIACAATCR-XOBRGWDASA-N 326.440 4.217 0 40 EIAB O=C(CNc1cccc(Br)c1)Nc1cccc(Cl)c1 5689515 WUECFYGFZFBHAA-UHFFFAOYSA-N 339.620 4.153 0 40 EIAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)cc2)c1 6396925 IZGUOXBYXAZRJA-UHFFFAOYSA-N 340.423 4.466 0 40 EIAB O=C(Nc1ccccc1N1CCCC1)c1ccccc1Br 6466023 YBNZXUDCUMATJG-UHFFFAOYSA-N 345.240 4.302 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 6863922 XURHXFPIGXYAFH-VOTSOKGWSA-N 326.705 4.406 0 40 EIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1Cl 7749956 WGSNAVVQJLPQOO-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB Cc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 8190048 IXYWSCGZYMNBQK-UHFFFAOYSA-N 334.375 4.401 0 40 EIAB COc1ccc([C@H]2SCCN2C(=S)Nc2ccc(F)cc2)cc1 8691732 UFIPVOLNUYINIV-MRXNPFEDSA-N 348.468 4.279 0 40 EIAB COc1ccc(OC)c(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 8710414 JCCJXKGSXFOYML-UHFFFAOYSA-N 336.391 4.055 0 40 EIAB COc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1OC 8761857 BDIQEINZOKSZDQ-UHFFFAOYSA-N 326.179 4.263 0 40 EIAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 12116849 BHTVOBICAPAGIK-HNNXBMFYSA-N 345.446 4.365 0 40 EIAB O=C(Cc1cccs1)Nc1ccccc1-c1nc2ccccc2[nH]1 12487917 VGYIGRFYAPUFMC-UHFFFAOYSA-N 333.416 4.473 0 40 EIAB CC(C)COc1ccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 12768260 NMLCZZNFEWMGFO-ZDUSSCGKSA-N 346.427 4.320 0 40 EIAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cnc21 12780615 LSUHAAHIPDRZGP-LBPRGKRZSA-N 342.830 4.157 0 40 EIAB Cc1ccc(F)cc1NCC(=O)N1CC[C@H](C)Sc2ccccc21 12877769 BFIIARUIANIZGX-AWEZNQCLSA-N 344.455 4.464 0 40 EIAB CC(C)N(Cc1ccccc1)C[C@H](O)COCc1ccccc1Cl 12973794 DZGLRRIOCGEZEE-IBGZPJMESA-N 347.886 4.128 0 40 EIAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 13939111 VUBCLDCZMWYUIR-UHFFFAOYSA-N 325.518 4.477 0 40 EIAB Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1Cl 14258091 OOVQJGSOIFFJMJ-UHFFFAOYSA-N 342.830 4.367 0 40 EIAB CN(C)C(=S)O/C(=C\SC(=O)c1ccccc1)c1ccccc1 17299324 KDSYAEIDFOQEJW-SSZFMOIBSA-N 343.473 4.422 0 40 EIAB COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 18061098 GMXMKSFJQLFOSO-HKKFXGGESA-N 344.407 4.200 0 40 EIAB endogenous,in-man CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20141892 RKFWGVIKMGWCTQ-NSHDSACASA-N 347.798 4.468 0 40 EIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(OC)cc1 20453917 DHHDRQVTYOYHOE-BEFAXECRSA-N 327.424 4.038 0 40 EIAB CC(=O)c1cc(CCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)oc1C 21669553 MHUOVRNFAQRIHH-FQEVSTJZSA-N 345.414 4.376 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(C)c1 22072439 KIIHPCFEBLHCHZ-UHFFFAOYSA-N 333.391 4.395 0 40 EIAB CCCc1n[nH]c(SCc2c(C)nn(-c3ccccc3)c2Cl)n1 22319141 CDRSYPUSWIMUSO-UHFFFAOYSA-N 347.875 4.197 0 40 EIAB O=Cc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 24040421 RKBOEOKLAPDKHD-UHFFFAOYSA-N 327.343 4.297 0 40 EIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccco1 27582637 VKTXWIVHFAZLNV-QGZVFWFLSA-N 346.858 4.280 0 40 EIAB Cc1ccc(C)c(OCc2ccc(C(=O)N3CCCCCC3)o2)c1 28226628 CYXWWLAGLYDPAF-UHFFFAOYSA-N 327.424 4.492 0 40 EIAB Cn1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 28802949 XYAJIVCHUJTIAI-UHFFFAOYSA-N 345.324 4.358 0 40 EIAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc2ncccc12 31689266 KRJHUEDTKHYFHU-AWEZNQCLSA-N 332.403 4.130 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(OC)c2)cc1 31821081 DZRIGRKAZHSLHF-QGZVFWFLSA-N 349.390 4.013 0 40 EIAB CC(C)c1nnc2sc(-c3cc(-c4ccc(Cl)cc4)on3)nn12 32094234 PHQUWNDSJJKRJE-UHFFFAOYSA-N 345.815 4.285 0 40 EIAB CCn1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2CC)n1 32604910 XZGVNNQUYRIZLH-UHFFFAOYSA-N 347.875 4.127 0 40 EIAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1Cl 32894295 OCEDSSHWRXDMHB-UHFFFAOYSA-N 340.810 4.162 0 40 EIAB Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1N1CCCC1 32903203 GYZYCVPNXKXUBG-UHFFFAOYSA-N 349.356 4.261 0 40 EIAB O=C(CSc1nc(Cc2ccccc2)no1)c1ccc(Cl)cc1 35682872 NSQWCKZCQAABGC-UHFFFAOYSA-N 344.823 4.289 0 40 EIAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38852420 CBBMOHQBZVOUKQ-LJQANCHMSA-N 344.474 4.044 0 40 EIAB CC(=O)N(C)c1nc(COc2ccc(Cl)c(Cl)c2)cs1 48872409 UEODTOOPXXYONO-UHFFFAOYSA-N 331.224 4.012 0 40 EIAB Cc1ccccc1N(C(=O)c1cnccn1)c1nc2ccccc2s1 49983740 OGKNZDGVLYNOEM-UHFFFAOYSA-N 346.415 4.373 0 40 EIAB C[C@H](c1ccc(F)cc1)N1CCC(C(=O)NC2CCCCC2)CC1 58391949 KHKOKUQVFXDINV-OAHLLOKOSA-N 332.463 4.048 0 40 EIAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 59211006 IRRUNOXDWSREPO-GFCCVEGCSA-N 348.240 4.418 0 40 EIAB O=C(Nc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12 61719518 NKGHPMAOCBBRGV-UHFFFAOYSA-N 327.387 4.337 0 40 EIAB Cc1ccc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)s1 63519393 KBTGSUMYCILMTQ-UHFFFAOYSA-N 340.433 4.479 0 40 EIAB CCC(=O)Nc1ccc(-c2csc(N3CCC(C)CC3)n2)cc1 71971828 YAFMENOHAFTQFC-UHFFFAOYSA-N 329.469 4.395 0 40 EIAB COc1cc(Cl)ccc1C(=O)NCc1ccc(F)cc1Cl 72331754 FZFXPRFUCUWFQK-UHFFFAOYSA-N 328.170 4.071 0 40 EIAB CCc1sc(C(=O)Nc2cccc(N3CCOC3=O)c2C)cc1C 75349845 CFBANADTRRMFDN-UHFFFAOYSA-N 344.436 4.136 0 40 EIAB COc1cccc(CN(C)C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 77291404 CWTFOLQZKJTWML-QGZVFWFLSA-N 340.250 4.167 0 40 EIAB in-vitro Cc1nc(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)cs1 84271990 DKUXOGVAYPJRMN-UHFFFAOYSA-N 335.432 4.398 0 40 EIAB COCc1nc(CNc2cccc(OCC(F)(F)F)c2C)cs1 86205675 JGEUZHMYHFUKMD-UHFFFAOYSA-N 346.374 4.151 0 40 EIAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ccccc1Cl 95954047 WORQUPYGFYSVSM-MRXNPFEDSA-N 325.799 4.194 0 40 EIAB CCCCOc1ccc(C(=O)NC[C@@H](OC)c2ccc(C)s2)cc1 96104717 JRWWFVIFXBKYMS-QGZVFWFLSA-N 347.480 4.353 0 40 EIAB C[C@H](N[C@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 96478558 LMXZPOPDEIHEAL-UGSOOPFHSA-N 341.480 4.072 0 40 EIAB CCSc1cc(Cl)ccc1C(=O)N1CCC(n2ccnc2)CC1 97141871 NGPDPDLQYBHVLX-UHFFFAOYSA-N 349.887 4.126 0 40 EIAB CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 100425720 FFMOWDZIMRDEOT-ROUUACIJSA-N 334.891 4.255 0 40 EIAB CON(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 104632737 CTQKBGAKJCUMLV-YPKPFQOOSA-N 348.402 4.338 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSC(C)(C)C 113971405 YXRVWIRKTRCXRC-OAHLLOKOSA-N 343.920 4.454 0 40 EIAB Cc1nnc(S[C@@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)c2ccccc12 221942764 WSRUDUWCAAXFNN-IDHHARJASA-N 326.465 4.424 0 40 EIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223775783 YULNRTGJIGNJPF-KRWDZBQOSA-N 341.451 4.081 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COC(C)C 224715469 ADBPBGNMLQBJIF-UHFFFAOYSA-N 331.387 4.402 0 40 EIAB Cc1csc(C2(NCC[C@@H](C)c3ccccc3)CCOCC2)n1 225585972 FZGLUEYCXNAWHM-OAHLLOKOSA-N 330.497 4.241 0 40 EIAB CO[C@@](C)(C(=O)Nc1ccc(OCc2ccccc2)c(C)c1)C1CC1 225645588 WAZVREPRCZTXPX-OAQYLSRUSA-N 339.435 4.328 0 40 EIAB COc1ccc(SCCCNC(=S)Nc2ccc(C)cc2)cc1 225802162 OOSCPFQGUNSXJB-UHFFFAOYSA-N 346.521 4.472 0 40 EIAB COc1ccccc1C1(C(=O)N[C@H](C)Cc2cc3ccccc3o2)CC1 245070479 QLKSJUPGPZATJA-OAHLLOKOSA-N 349.430 4.220 0 40 EIAB CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)n1 253388813 VAOUVGSWQMTUND-ULQDDVLXSA-N 339.439 4.050 0 40 EIAB CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2Cc1ccccc1 257209808 BRYNVFDEQBLTFI-RJGXRXQPSA-N 348.490 4.403 0 40 EIAB CCN(CCC1CC1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 546926918 PJKFWBJPYLOBPG-UHFFFAOYSA-N 346.862 4.239 0 40 EIAB CCc1ccc(CNc2cccc3c2CCN(CC(F)(F)F)C3)cn1 585081801 FJDOCWQOQJVAKV-UHFFFAOYSA-N 349.400 4.177 0 40 EIAB Cc1ncnc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 1888864457 XFUXHPXIOXHSIN-UHFFFAOYSA-N 329.709 4.018 0 40 EIAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(F)cc2)S3)cc1 93525 BLGKNKWLFDKEIB-OAHLLOKOSA-N 339.395 4.270 0 40 EIAB CCCC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 101404 LALBBQUKLKLXNN-UHFFFAOYSA-N 338.359 4.174 0 40 EIAB biogenic CN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(F)cc2)cs1 413137 AHEPLGIGDWEMRH-UHFFFAOYSA-N 330.359 4.365 0 40 EIAB CCOc1ccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)cc1 526694 QZUWRNZEARRKFC-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB O=C(Oc1cccc2cccnc12)c1cccc(Br)c1 527367 XXXBZFQGBQSOCH-UHFFFAOYSA-N 328.165 4.217 0 40 EIAB CN(C)c1nn(C(=O)Nc2ccc(Cl)cc2)cc1-c1ccccc1 1384672 PDFMNDQLOSXDPU-UHFFFAOYSA-N 340.814 4.350 0 40 EIAB COc1ccc(CNCC[C@]2(C(C)C)CCOC(C)(C)C2)cc1OC 2098064 JYRQQKIOHWOXDX-NRFANRHFSA-N 349.515 4.415 0 40 EIAB biogenic O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 2621195 CCDJKYQNKJHFRE-UHFFFAOYSA-N 335.432 4.120 0 40 EIAB CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4082035 DVBAEBPCDUVZPB-HRXWASAYSA-N 342.479 4.245 0 40 EIAB biogenic C[C@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2ccccc2)o1 5316371 WGAQCTJWGITGHJ-JTQLQIEISA-N 340.364 4.233 0 40 EIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2)o1 5936479 XWZQPKOSLGXEJP-UHFFFAOYSA-N 348.189 4.225 0 40 EIAB CCCCCCOc1c(Br)cc(C(=O)O)cc1OC 6273276 ZONGTVVJUZAALJ-UHFFFAOYSA-N 331.206 4.115 0 40 EIAB CCOc1ccc2nc(NC(=O)Cc3cccc(F)c3)sc2c1 6560764 OWNDXCWAAZSXPW-UHFFFAOYSA-N 330.384 4.015 0 40 EIAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(N)c2)cc1 7468343 ASTJELVKRAQGOH-UHFFFAOYSA-N 345.402 4.082 0 40 EIAB Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c(C)s1 7988775 JDCVXKHTNSEHOC-UHFFFAOYSA-N 329.450 4.060 0 40 EIAB CSc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 8049338 XPWVMSOLNNRTBQ-UHFFFAOYSA-N 339.420 4.030 0 40 EIAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 8327435 WVNOCKDZGMOKKP-FUHWJXTLSA-N 349.478 4.402 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccccc2Cl)c2c1[C@@H](C)CC2=O 8923208 MJPFFDDSMXSJTC-LBPRGKRZSA-N 343.810 4.356 0 40 EIAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccs1 9547889 KIPKXFVQDIQMJV-CYBMUJFWSA-N 337.448 4.302 0 40 EIAB CSc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 10555932 VAKXZWMJWVBDAN-UHFFFAOYSA-N 327.434 4.179 0 40 EIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC[C@H]1CCCO1 11594421 JUSVCXAEPNFNMZ-CYBMUJFWSA-N 337.828 4.108 0 40 EIAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCCC1=CCCCC1 11693122 WOVBTEKNJWEMGA-UHFFFAOYSA-N 328.387 4.030 0 40 EIAB CCCOc1ccccc1C(=O)Nc1nc(-c2cccs2)ns1 11916753 QXIZVRALQFXPMC-UHFFFAOYSA-N 345.449 4.308 0 40 EIAB O=C(Nc1cccc(Cl)c1)C1=C(c2ccccc2)SCCO1 12406456 IORMCWCWXFDMCI-UHFFFAOYSA-N 331.824 4.411 0 40 EIAB O=C(NCCc1ccccn1)c1ccc(-c2ccc(Cl)cc2)s1 12642724 URRWASHIWWRKSQ-UHFFFAOYSA-N 342.851 4.436 0 40 EIAB O=C(c1ccc(Oc2cc(Cl)cc(Cl)c2)nc1)N1CCCC1 12892430 YNEOHOKNVQWBIP-UHFFFAOYSA-N 337.206 4.417 0 40 EIAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)Cc1ccc(C)c(C)c1)n2C 13962969 KGLXTNCEYWXYLV-QZQOTICOSA-N 338.476 4.143 0 40 EIAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2Br)[C@@H]1C 19434878 XOMHVCZHUORLPF-GPCCPHFNSA-N 328.225 4.143 0 40 EIAB Cc1cccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1C 22317850 LGAAOHJKVAPJTH-UHFFFAOYSA-N 340.448 4.429 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)c(Cl)c1 22530608 IIUXYHVZFHDYHC-KRWDZBQOSA-N 333.815 4.453 0 40 EIAB CN(Cn1nc(NC(C)(C)C)sc1=S)[C@H]1CCc2ccccc21 22758617 DYIOYVRREXPJOX-AWEZNQCLSA-N 348.541 4.461 0 40 EIAB CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)cc1 23079555 CSFGEIVFTGZIKI-AWEZNQCLSA-N 345.464 4.377 0 40 EIAB CN(C)Cc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1 24067023 BBQUOQPSDWQIEW-UHFFFAOYSA-N 343.279 4.047 0 40 EIAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nc(-c2cccs2)no1 24250683 IBPVFFGRSKZYPW-SNVBAGLBSA-N 335.379 4.269 0 40 EIAB CCCc1noc(CSc2nnc(Nc3ccccc3C)s2)n1 25051402 SATFCMRMHMFCMQ-UHFFFAOYSA-N 347.469 4.218 0 40 EIAB Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27583886 FLFCJWNVDLHLTR-IBGZPJMESA-N 342.870 4.215 0 40 EIAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)C1CCCC1 32610578 RLYBZVQCXQPLCT-UHFFFAOYSA-N 338.238 4.367 0 40 EIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1C 32819153 AHSBOROLZGFULR-HNNXBMFYSA-N 349.434 4.020 0 40 EIAB Cc1cc(NC(=O)CSCCC23CC4CC(CC(C4)C2)C3)no1 36394404 XYXRLGFGRJPGTJ-UHFFFAOYSA-N 334.485 4.261 0 40 EIAB Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)N1CCCC[C@@H]1C 36847535 WESHCXQQFSZURC-QWHCGFSZSA-N 339.936 4.198 0 40 EIAB CSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1 39989045 HSTYGVKBJBFZJI-JXMROGBWSA-N 333.482 4.209 0 40 EIAB CC(C)(C)c1cc(Br)ccc1OCC1CCNCC1 42774672 DNXKVPYNBCKEOG-UHFFFAOYSA-N 326.278 4.125 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 44841524 GJFLRQJGCDGVTJ-OXQOHEQNSA-N 341.451 4.429 0 40 EIAB c1ccc2nc(NCc3ccc(N4CCCCCC4)nc3)cnc2c1 52334377 RDCARJQAULJBSL-UHFFFAOYSA-N 333.439 4.017 0 40 EIAB Cc1nc(NCc2ccc([C@@H](C)O)cc2)c2c3c(sc2n1)CCC3 53601852 DVZFPTTWPCJLHA-LLVKDONJSA-N 339.464 4.154 0 40 EIAB C[C@H](CC[C@@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 58417631 STAQJLYYZSFGBZ-ZBFHGGJFSA-N 336.435 4.399 0 40 EIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H]1CC=CCC1 58439865 XJOVSAPNNAAJFQ-JTQLQIEISA-N 348.657 4.498 0 40 EIAB CCCC[C@@H](CC)N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 59377758 FBZPJUVAFSWZLB-GCJKJVERSA-N 337.463 4.499 0 40 EIAB O=C(Nc1ccc(F)cc1)Nc1ccc(NC2CCOCC2)cc1 69456392 PYVBGWATJLYDKA-UHFFFAOYSA-N 329.375 4.061 0 40 EIAB O=C(c1cnc2ccccc2n1)N(CCc1ccccc1)C1CCCC1 70036522 SZHVDTFLDUNESR-UHFFFAOYSA-N 345.446 4.257 0 40 EIAB CC(C)CNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 71279533 YLKNUFHUKRFMJE-AWEZNQCLSA-N 344.282 4.277 0 40 EIAB CC[C@@H](NC(C)=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 71405434 DNHMMVOJNINVCM-MRXNPFEDSA-N 341.842 4.325 0 40 EIAB CNC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12 72110991 TXJATINKINFUDN-UHFFFAOYSA-N 342.398 4.423 0 40 EIAB Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1 72331286 LQSCBXOJTOYSAD-UHFFFAOYSA-N 349.261 4.264 0 40 EIAB Cc1cc(C)n2cc(CN(C)Cc3csc4ccccc34)nc2n1 76990809 PCMLVXYNEHZZIW-UHFFFAOYSA-N 336.464 4.193 0 40 EIAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)c(OC)c1 77532324 RHFIPUDNZMDTMZ-UHFFFAOYSA-N 333.815 4.274 0 40 EIAB Cc1ccc(NC(=O)C2CCN(CCC3CCCCC3)CC2)nc1 78949935 DAFGSNNHNDXZSV-UHFFFAOYSA-N 329.488 4.011 0 40 EIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(-c2ccco2)on1 84129134 JEUVHAWPSKGJDZ-AWEZNQCLSA-N 340.379 4.280 0 40 EIAB COc1cccc(-c2nnc(NCc3ccc(Cl)cc3)o2)c1OC 95939388 DNCZJWHIRLOOIQ-UHFFFAOYSA-N 345.786 4.019 0 40 EIAB O=C(c1cncnc1-c1ccccc1)N1CCC[C@@]2(CC=CCC2)C1 95986370 CCMFTGGSVNGSRF-NRFANRHFSA-N 333.435 4.106 0 40 EIAB O=C(NCCn1nc(C2CC2)cc1C1CC1)Nc1ccccc1Cl 96121783 CULARZCPCFSSLH-UHFFFAOYSA-N 344.846 4.113 0 40 EIAB Cc1ccc2c(c1)c1nnc(S)nc1n2Cc1ccc(Cl)cc1 96319316 GVKRFYSPZSWZEL-UHFFFAOYSA-N 340.839 4.278 0 40 EIAB CN(Cc1ccncc1)C(=O)Nc1ccc(COC2CCCC2)cc1 96418124 JISSZRSYHJXLSN-UHFFFAOYSA-N 339.439 4.205 0 40 EIAB CCO[C@H](C)c1nc(CSc2ccc(NC(C)=O)cc2)cs1 96418317 GSWPPHJGAKSKCN-LLVKDONJSA-N 336.482 4.491 0 40 EIAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1ccc(Cl)cc1 101448580 ZKQNIPQCXUBUJG-UHFFFAOYSA-N 338.798 4.007 0 40 EIAB Cc1cccc(-c2noc(CN(C)C(=O)c3cc4ccccc4o3)n2)c1 219950563 RWLOSHKGGXVYOR-UHFFFAOYSA-N 347.374 4.063 0 40 EIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 224324774 HSDCDYSHIYNBSO-RTBURBONSA-N 348.475 4.149 0 40 EIAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1c(F)cccc1F 225636007 OGWZHNXFJDAPKE-GFCCVEGCSA-N 336.407 4.027 0 40 EIAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)c(C)cc2C)c1 225653947 SPNYHXHDPWRFTO-HNNXBMFYSA-N 327.424 4.120 0 40 EIAB CCOc1ccccc1NC(=S)NC1(c2ccco2)CCCC1 225848031 REABLGITIJILEF-UHFFFAOYSA-N 330.453 4.434 0 40 EIAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)OCO2 390826326 IFHSPAOGZOHJHX-INIZCTEOSA-N 343.429 4.058 0 40 EIAB O=C(NC[C@H](O)c1csc2ccccc12)Nc1c(F)cccc1F 585372801 XYGPUUOFZIGMOL-AWEZNQCLSA-N 348.374 4.035 0 40 EIAB Cc1cc(Cl)ccc1NC(=O)c1ccc2nc(C(C)(C)C)cn2n1 1888910648 KIQUAGABFJKBEN-UHFFFAOYSA-N 342.830 4.241 0 40 EIAB Clc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1 158912 NBRZBWWDYQGACM-UHFFFAOYSA-N 332.841 4.018 0 40 EIAB CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 416885 HJBXRGQKQRQJET-UHFFFAOYSA-N 335.436 4.122 0 40 EIAB O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@@H]1c1ccccc1 475554 HCRNEJDDKQWLHQ-OLZOCXBDSA-N 334.188 4.330 0 40 EIAB CCOc1ccc(-c2nnc3sc(-c4ccccc4C)nn23)cc1 532130 OQVGAVORGKPDBJ-UHFFFAOYSA-N 336.420 4.227 0 40 EIAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2[nH]1 2625197 QUYYZZUHOXGDQT-UHFFFAOYSA-N 326.421 4.457 0 40 EIAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1 3423072 CACFAQQQMXQYLD-CMDGGOBGSA-N 338.403 4.060 0 40 EIAB CCOc1ccccc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138192 OBXAUWIMGQTSJW-UHFFFAOYSA-N 348.446 4.375 0 40 EIAB Cn1c(Sc2ccc(C(F)(F)F)cn2)nnc1-c1ccccc1 5588858 XSBNGJJPBCKRIB-UHFFFAOYSA-N 336.342 4.047 0 40 EIAB COc1ccccc1-c1nnc(NC(=O)c2ccc3ccccc3c2)o1 6453641 IDSVBPQSMPAEJF-UHFFFAOYSA-N 345.358 4.151 0 40 EIAB CCc1ccc(C(=O)COC(=O)c2cccc(-n3cccc3)c2)s1 6589869 YFXCLCGJPJQFFK-UHFFFAOYSA-N 339.416 4.141 0 40 EIAB COc1ccccc1/C=C(/C(=O)OCc1cc(C)on1)c1ccccc1 7822327 NBSYNYNOPUVBSJ-CPNJWEJPSA-N 349.386 4.276 0 40 EIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC(C)C)cc2)c1 8499093 FTOSRPATRRIWLW-UHFFFAOYSA-N 347.798 4.166 0 40 EIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cc(C)ccc1C 8587038 HYEAEWRFUMZUPT-NRFANRHFSA-N 347.462 4.385 0 40 EIAB CC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1C 9064182 PEXYZYWUVHFXLJ-UHFFFAOYSA-N 341.461 4.105 0 40 EIAB Cc1cccc(-c2ccccc2C(=O)NCCOc2ccccc2)c1 12814184 DCTAKEOMSRJFIC-UHFFFAOYSA-N 331.415 4.471 0 40 EIAB COc1ccc2cc(CN(C)C(=O)COc3ccccc3C)ccc2c1 12858563 XSELTSWDCTUYGR-UHFFFAOYSA-N 349.430 4.194 0 40 EIAB CN1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 14169343 CZPKQOFBIYHQNA-UHFFFAOYSA-N 349.459 4.050 0 40 EIAB O=C(Nc1nccs1)c1cc(Cl)cc(Cl)c1OC(F)F 14461691 PULAURBLOGGIPX-UHFFFAOYSA-N 339.150 4.304 0 40 EIAB Cc1cccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c1 15017835 OFGYUTVRNNCUIU-HNNXBMFYSA-N 330.225 4.060 0 40 EIAB COc1ccccc1NC(=O)NCCOc1ccc(C(C)(C)C)cc1 18181986 HJNSZFPBWTUPMI-UHFFFAOYSA-N 342.439 4.193 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20110522 JJKQCISVDSVHMQ-INIZCTEOSA-N 325.408 4.220 0 40 EIAB CCCOc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20141472 KXHHUJTYONWJOR-UHFFFAOYSA-N 333.771 4.079 0 40 EIAB O=C(Nc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccccc1 24986496 RHLYDWRSGAEYAQ-UHFFFAOYSA-N 340.386 4.187 0 40 EIAB CCN(c1ncnc2c1cnn2-c1ccc(F)cc1)C1CCCCC1 28406036 YACQQIMDJNKNFE-UHFFFAOYSA-N 339.418 4.114 0 40 EIAB CN(C)c1ncccc1NC(=O)CC(c1ccccc1)c1ccccc1 32912936 GVDLVQFGIJIFLW-UHFFFAOYSA-N 345.446 4.308 0 40 EIAB CC(C)(C)n1nc(C(=O)Nc2cccc3cccnc23)cc1C1CC1 42711544 JLPMDWXXHJPOLA-UHFFFAOYSA-N 334.423 4.316 0 40 EIAB N[C@@H](CC(=O)O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 44216756 WXSJGVHAZYJLRI-JTQLQIEISA-N 333.693 4.093 0 40 EIAB COc1ccccc1CN(C)C(=O)CCCOc1ccc(Cl)cc1 44844912 RGUPBTJEVHTFJY-UHFFFAOYSA-N 347.842 4.166 0 40 EIAB O=C(/C=C/c1ccccc1)N(Cc1ccsc1)Cc1ccccn1 49521585 RZLRUERAFIFDAQ-MDZDMXLPSA-N 334.444 4.385 0 40 EIAB CCOc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(C)cc1C 54363243 AMTXWCCDYKGSMQ-UHFFFAOYSA-N 341.517 4.195 0 40 EIAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCCCCC3)n2)cc1 55275614 PRLWNRGTGVSBGP-UHFFFAOYSA-N 341.455 4.195 0 40 EIAB COc1ccc(C)cc1NC(=O)CSc1cccc2cccnc12 57468855 NXTGKHICWZTSFJ-UHFFFAOYSA-N 338.432 4.283 0 40 EIAB CCN(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1C 58029522 AHPIEUPYWZQXCC-HXUWFJFHSA-N 340.442 4.324 0 40 EIAB O=C(NCc1ccncc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 58327889 BAPKSPURJNJYLC-JKSUJKDBSA-N 349.459 4.058 0 40 EIAB O=C(NCCSCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 60845047 YKPKRFULKCUZAY-UHFFFAOYSA-N 344.524 4.188 0 40 EIAB Cc1ccc(C(C)(C)C)cc1SCCCN1C(=O)NC(C)(C)C1=O 65477557 IOELZITXDVINKJ-UHFFFAOYSA-N 348.512 4.105 0 40 EIAB CCc1c(C(=O)N(C)c2nc([C@H](C)CC)cs2)[nH]c(C)c1C(C)=O 65552603 FSGKKVDFSGSEDJ-SNVBAGLBSA-N 347.484 4.335 0 40 EIAB CCOc1ccccc1C(=O)Nc1ccc(NCc2ccccn2)cc1 65621701 MGGAITDJZISJLF-UHFFFAOYSA-N 347.418 4.345 0 40 EIAB FC(F)(F)c1ccc(N2CCCN(CC3CCCCC3)CC2)nc1 71793198 ZVUBGZWQYWLSRZ-UHFFFAOYSA-N 341.421 4.193 0 40 EIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCCCC[C@@H]1c1ccncc1 71798118 MJWIAZBERXVJPX-OAHLLOKOSA-N 349.356 4.253 0 40 EIAB Cc1cccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)c1 71978050 ZJRUDLHVKIQQKA-UHFFFAOYSA-N 340.224 4.464 0 40 EIAB Cc1cccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 72238566 TYWVGPJBFSKUNE-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccccc1SC(F)F 72283372 JOBZFBXOFXBBME-MRVPVSSYSA-N 341.383 4.489 0 40 EIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 72329182 YUWGHLAEPNRBPJ-CYBMUJFWSA-N 337.398 4.269 0 40 EIAB Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c(C)c1 72427500 FWDXJDDLBPBMOS-UHFFFAOYSA-N 341.798 4.305 0 40 EIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C 78912578 KMGDCBDJKGAFHV-GDBMZVCRSA-N 325.412 4.222 0 40 EIAB CC(C)NC(=O)N(C)c1ccc(OCc2ncc(C(C)(C)C)o2)cc1 84620530 HOOPEYSAKHBDNQ-UHFFFAOYSA-N 345.443 4.105 0 40 EIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)cc1F 85651290 YEOPXTNGVIRQSQ-UHFFFAOYSA-N 349.858 4.259 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)CCSc3ccccn3)c2)o1 87260713 SFFPGHIRCPVBDB-UHFFFAOYSA-N 339.420 4.166 0 40 EIAB O[C@@H]1CCCC[C@@H]1Sc1nc(C(F)(F)F)nc2ccccc12 89866710 GXNHPMSUEAXYTG-NEPJUHHUSA-N 328.359 4.044 0 40 EIAB CC[C@@H](C(=O)OCC1CCN(Cc2ccco2)CC1)c1ccccc1 89947869 YFFBIHQGTKWFIX-HXUWFJFHSA-N 341.451 4.229 0 40 EIAB CCC[C@@H](C)N(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 95350092 GTTLBZUHOPHMPO-GFCCVEGCSA-N 332.517 4.163 0 40 EIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 95401974 MLRXYOFCYPMGIW-RCCFBDPRSA-N 341.838 4.426 0 40 EIAB C[C@H]1COc2ccccc2CN1Cc1nc2cc(Cl)ccc2n1C 96007886 FGNBRCWZQRXOIQ-ZDUSSCGKSA-N 341.842 4.010 0 40 EIAB O=C(Nc1ccccc1F)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 96467925 LDOZFBYHRJMLRZ-WMLDXEAASA-N 346.402 4.319 0 40 EIAB CCOc1cc2c(cc1NC(=O)/C=C\c1ccc(C)s1)O[C@H](C)C2 96926060 QAJLDEYXBPICCH-QDZRJHCZSA-N 343.448 4.431 0 40 EIAB CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(COC)o1)c1cccs1 97095024 SLFAXDGDIICSOL-GJZGRUSLSA-N 348.468 4.485 0 40 EIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 100734340 NAORKALMWGJFTQ-KUDNYVPYSA-N 348.229 4.251 0 40 EIAB Cc1nc(S[C@H](C)C(=O)N(C)C)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104119529 ZUNIJTNKJZNGAJ-NRKLIOEPSA-N 349.544 4.066 0 40 EIAB Cc1cccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1 222757751 JALDHNGWMIZNGW-UHFFFAOYSA-N 325.452 4.246 0 40 EIAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224189491 YNJSGSBBFTWCGI-INIZCTEOSA-N 341.451 4.419 0 40 EIAB CCOc1cccc(NC(=O)c2ccc(OCC)c(OCC)c2)c1 225064458 UKNKFNBGNPYXQG-UHFFFAOYSA-N 329.396 4.135 0 40 EIAB CCOc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225107475 JGHXXRHVOAAUIC-IBGZPJMESA-N 328.408 4.283 0 40 EIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSC1CCCC1 225115717 JOPBJJLVJXDEOO-OAHLLOKOSA-N 341.904 4.289 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(Cl)c2)cc1 225639670 OUZXWNHUZOGNKL-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)nc1C 225895889 CXSJYWRCOKQZJE-UHFFFAOYSA-N 336.476 4.205 0 40 EIAB CCO[C@@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@H](C)C1 225901043 OXETXLGTHPOHQY-XOBRGWDASA-N 342.439 4.167 0 40 EIAB O=C(CSCc1ccc(Cl)cc1F)N[C@H]1C[C@H]2CC[C@H]1C2 260798425 TVDNGVGJHVCCBW-PGUXBMHVSA-N 327.852 4.017 0 40 EIAB Cc1ccccc1NC(=O)NC[C@H](c1cc2ccccc2o1)N(C)C 575621833 VRTLDTYIINTMJK-QGZVFWFLSA-N 337.423 4.166 0 40 EIAB Cn1ccc2cc(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)ccc21 604419401 JTXUAVDTJDOYDX-IBGZPJMESA-N 343.430 4.467 0 40 EIAB Cc1ccc(C[C@@H]2CCC[C@@H]3CN(Cc4scnc4C)C[C@H]23)nc1 1615119050 HGGBIBQLTWXNGK-YQVWRLOYSA-N 341.524 4.246 0 40 EIAB Cn1nc(CNC(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1C1CC1 1672804773 AGIODZPRKWXGRR-UHFFFAOYSA-N 344.434 4.056 0 40 EIAB Clc1cnccc1OCC1CCN(c2nccc3occc23)CC1 2298219171 QGQUQZIAVSJANL-UHFFFAOYSA-N 343.814 4.172 0 40 EIAB O=C(COC(=O)C1CCCCC1)Nc1cc(Cl)cc(Cl)c1 131957 OLRDMBFJTRGPOP-UHFFFAOYSA-N 330.211 4.055 0 40 EIAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(F)c(Cl)c1 239553 GDPXNDDOPQMDJR-UHFFFAOYSA-N 325.726 4.433 0 40 EIAB COc1ccc(Cc2nnc(SCc3ccc(C)cc3)o2)cc1 316710 KNWOKZNTFCSKRP-UHFFFAOYSA-N 326.421 4.270 0 40 EIAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1 570395 RZUBGCWOQPKLGX-UHFFFAOYSA-N 348.793 4.326 0 40 EIAB OCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 2493152 WLIKDWUMOPAKFS-UHFFFAOYSA-N 344.842 4.084 0 40 EIAB O=C(COc1ccc(Cl)cc1)OCc1nc2ccccc2s1 3268403 CGTNJGFJJIYZBD-UHFFFAOYSA-N 333.796 4.072 0 40 EIAB O=C(CSc1nc2ccccc2o1)N[C@@H]1CCCc2ccccc21 3273526 BUQHCWWPNQVKDC-OAHLLOKOSA-N 338.432 4.114 0 40 EIAB Cc1nc(N2CCCCC2)sc1[C@@H]1Sc2ccccc2NC1=O 3353382 BIPVPRKZBKLPMC-HNNXBMFYSA-N 345.493 4.227 0 40 EIAB CC(=O)c1cccc(NC(=O)CCCc2nc3ccccc3s2)c1 3561855 RTZOKRKGGIMWCT-UHFFFAOYSA-N 338.432 4.460 0 40 EIAB Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2ccccc2c1=O 4217322 MYGZNGAHFWOCLI-BUHFOSPRSA-N 339.398 4.260 0 40 EIAB in-man CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1 4585710 SCDWPLOQEFLPKF-UHFFFAOYSA-N 343.383 4.240 0 40 EIAB COc1c(Cl)cc(Cl)cc1CNCc1ccc2c(c1)OCO2 5019858 HCSYAEUSMPFXJS-UHFFFAOYSA-N 340.206 4.021 0 40 EIAB COc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2C)c1 6559337 PSIPHTONZVZOKO-JXMROGBWSA-N 337.448 4.296 0 40 EIAB COc1cccc(CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)c1 6787984 WZQUCNODHBUXMB-UHFFFAOYSA-N 349.430 4.131 0 40 EIAB Cc1cc(C)c2c(CC(=O)Nc3nnc(CC(C)C)s3)coc2c1 6809844 BEDWEWIFDDOIDX-UHFFFAOYSA-N 343.452 4.281 0 40 EIAB Cc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 7369390 QUQQJJZEOCWHGT-UHFFFAOYSA-N 334.485 4.354 0 40 EIAB CCc1nc2ccccc2n1Cc1c(F)c(F)c(F)c(F)c1F 7738729 AOWVOBKHPYXDTO-UHFFFAOYSA-N 326.268 4.343 0 40 EIAB O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1CCc1ccccc1 7884663 GGLAQBKGIDWSBK-NRFANRHFSA-N 344.414 4.201 0 40 EIAB O=C(Cc1csc(-c2cccnc2)n1)Nc1cccc(Cl)c1 8060473 ZWMOCYBZYBBKLN-UHFFFAOYSA-N 329.812 4.040 0 40 EIAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccccc1Cl 8710135 GLPOXWAQMCVBSX-NSHDSACASA-N 331.828 4.107 0 40 EIAB Cc1ccc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1Cl 8852200 DBAGBEZRBUCBNO-ZDUSSCGKSA-N 332.831 4.497 0 40 EIAB O=C(COc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1 9204320 VFYBRZUUZSOMOX-UHFFFAOYSA-N 345.395 4.088 0 40 EIAB CCOc1ccc(Oc2ccccc2NCC(=O)NC(C)(C)C)cc1 9314832 FYSUBZIOLRFFAQ-UHFFFAOYSA-N 342.439 4.204 0 40 EIAB Cc1cc(C)c(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c(Cl)c1 9689910 QDGXIDXOZXFTAZ-SJCJKPOMSA-N 331.799 4.124 0 40 EIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 10336516 UZXWSFGRPGUQCL-ZDUSSCGKSA-N 344.842 4.050 0 40 EIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 10715477 ZCEFBAUHIMMODR-MRXNPFEDSA-N 327.424 4.497 0 40 EIAB CCCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccnc1 11565905 OKZHZPUIZDMTCO-UHFFFAOYSA-N 348.468 4.185 0 40 EIAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 11658671 RGHKYLNVNSWTGI-CQSZACIVSA-N 327.424 4.226 0 40 EIAB Cc1cc(-c2cnc(NCc3cccnc3)nc2-c2ccc(C)o2)on1 12089518 BXKWYHVCABORND-UHFFFAOYSA-N 347.378 4.016 0 40 EIAB COc1ccccc1COC(=O)c1ccc(COc2ccccc2)o1 12967491 WXEGYIXEWAEYMT-UHFFFAOYSA-N 338.359 4.224 0 40 EIAB CC[C@H](C)OP(=O)(O[C@H](C)CC)[C@@H](O)C(Cl)(Cl)Cl 16610331 YNPDVDFFTXYYSL-BXVFETGGSA-N 341.599 4.498 0 40 EIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1 16751669 RVSFTLNXJWZHBX-GOSISDBHSA-N 333.387 4.138 0 40 EIAB Cc1cccc(-c2nc(CNC(=O)c3ccc(C)s3)cs2)c1 20417598 KMGUDHADAZVALC-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1 20489310 CUHDFUGIXAZDRN-FQEVSTJZSA-N 341.451 4.176 0 40 EIAB CCOc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1OCC 20491999 FEMFFEZBQKIIJV-UHFFFAOYSA-N 341.451 4.041 0 40 EIAB CCOC(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1 20982103 PTPDBULGMYYETO-UHFFFAOYSA-N 343.448 4.044 0 40 EIAB CN(Cc1ccc2ccccc2c1)C(=O)c1cc2ccccc2oc1=O 21926818 JZIYYPOSCZWXDS-UHFFFAOYSA-N 343.382 4.218 0 40 EIAB CC(C)c1ccc(OCC(=O)N(C)c2nc3ccccc3s2)cc1 25052563 VZIFBNNNZQRNHL-UHFFFAOYSA-N 340.448 4.462 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1 30940253 VFGHDKXVJLOETF-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(C)c1O 35330428 FRFHOLYKRYUEBU-YBEGLDIGSA-N 339.416 4.246 0 40 EIAB Cc1ccc(-n2ncc3c(C)nnc(SCc4cccnc4)c32)cc1 38488207 OUHYNGYMYAQIHH-UHFFFAOYSA-N 347.447 4.120 0 40 EIAB CC(C)c1nc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2o1 40081676 QPNUMFGPUNSKFC-UHFFFAOYSA-N 348.358 4.310 0 40 EIAB O=C(NCc1cccnc1)c1ccc(-c2ccccc2Cl)s1 40284708 CNUQWHOYEGRWDN-UHFFFAOYSA-N 328.824 4.394 0 40 EIAB Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)c(Br)c1 48304245 SCUJRTSSZBLQSU-LLVKDONJSA-N 334.217 4.035 0 40 EIAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NC1CCCCCC1 48310949 JHBBRNSLVPEZHJ-UHFFFAOYSA-N 348.443 4.412 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)N(C)C3CCC(C)CC3)ccc12 57958497 BQBLPQGSGMHJHE-UHFFFAOYSA-N 328.412 4.144 0 40 EIAB CSc1nc(C)c(CCC(=O)N(C(C)C)C2CCCCC2)c(C)n1 58266311 BRJWTIKAOHBMLN-UHFFFAOYSA-N 349.544 4.318 0 40 EIAB CCN(C)c1cccc(NC(=O)N(C)Cc2cccc(Cl)c2)c1 58315510 NYPJVJUTGDMNHZ-UHFFFAOYSA-N 331.847 4.460 0 40 EIAB Cc1nnc([C@H](C)Nc2cccc(COc3cccc(F)c3)c2)o1 71902456 UTKMMVNWACZAFT-LBPRGKRZSA-N 327.359 4.269 0 40 EIAB CCCN(C(=O)Nc1ccc(OC)cc1)[C@H]1C[C@H](OCC)C1(C)C 72305980 FDNSIVRZMTWIHZ-IRXDYDNUSA-N 334.460 4.143 0 40 EIAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ccc(F)cc2)n1 72378656 HZCMDRBWOWENGJ-LJQANCHMSA-N 336.414 4.052 0 40 EIAB Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 75629624 YCNFNXPUWNPXMG-UHFFFAOYSA-N 341.370 4.284 0 40 EIAB CCOc1cc(NCc2cnc(C)n2-c2ccccc2)ccc1OC 81292590 JYVYYGMQIBIFIW-UHFFFAOYSA-N 337.423 4.200 0 40 EIAB Cc1ccc2c(CCNCc3cc4ccccc4nc3O)c[nH]c2c1 89657463 VPTMSQSBVNMUGX-UHFFFAOYSA-N 331.419 4.062 0 40 EIAB CCC(=O)N1CC[C@@H](NCc2csc3ccccc23)[C@@H](CC)C1 89949174 OPTASWMFBKSHDM-WMLDXEAASA-N 330.497 4.028 0 40 EIAB Cc1ccc(-c2ccc(C(=O)N(C[C@H](C)O)C(C)C)c(F)c2)cc1 95432291 YLENQLOBTKOMMI-HNNXBMFYSA-N 329.415 4.033 0 40 EIAB Cc1ccc([C@@H](C)N(C)Cc2noc(Cc3ccccc3C)n2)cc1 95964355 IDZWBMQISVAVNR-QGZVFWFLSA-N 335.451 4.470 0 40 EIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102602815 KMGBJUJLCHILAK-PFFSRIRZSA-N 335.875 4.357 0 40 EIAB Cc1c(Cl)cccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccccc12 102906862 BRLWBUWSYCFYFC-KBXCAEBGSA-N 328.799 4.418 0 40 EIAB O=C(NCC1=CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 224535789 NPNZCHQUCBRXPF-UHFFFAOYSA-N 346.902 4.169 0 40 EIAB COc1ccc(Cl)cc1C(=O)NCCCc1ccc(Cl)cc1 225038271 VJRSXJWIGXZUOB-UHFFFAOYSA-N 338.234 4.365 0 40 EIAB CC1(C)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2OC1 225359588 BKUFHPQVHCNCTB-UHFFFAOYSA-N 331.799 4.390 0 40 EIAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1 225899055 URROAFBXDPKZAC-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260755820 BUONUFUSWZBZFJ-KBRIMQKVSA-N 326.469 4.053 0 40 EIAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260775312 QCVMBXZKBLUHAY-JEBQAFNWSA-N 340.496 4.109 0 40 EIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl 408585947 LNIYZTLMLMAWRX-UHFFFAOYSA-N 346.235 4.193 0 40 EIAB Cc1cccc(CSCCNC(=O)CCCOc2ccccc2)c1 408705918 QGZIQHFJZKJTDT-UHFFFAOYSA-N 343.492 4.204 0 40 EIAB Cc1cccc(C2=N/C(=C\c3ccc(C(F)(F)F)cc3)C(=O)O2)c1 408990742 YKLBEKXOXAWVBP-GDNBJRDFSA-N 331.293 4.358 0 40 EIAB CCOc1cncc(COC(=O)c2ccc(F)c3ccccc23)c1 1529448487 GZERQTLJZKLUJY-UHFFFAOYSA-N 325.339 4.130 0 40 EIAB Cc1cc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)ccc1F 1556831604 SYRXJWBRYQNTFR-GFCCVEGCSA-N 341.361 4.154 0 40 EIAB CC(C)C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237099 MHSIZMVTWBIUBF-CQSZACIVSA-N 341.436 4.270 0 40 EIAB Cn1nc(-c2ccccc2)c(-c2nnc(-c3ccccc3)o2)c1Cl 1389104 OMHWJUAVFWGPST-UHFFFAOYSA-N 336.782 4.458 0 40 EIAB O=C(Nc1nc2ccc(OC(F)F)cc2s1)C1CCCCC1 2786320 OFVOCTSMRMAQSU-UHFFFAOYSA-N 326.368 4.417 0 40 EIAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc2ccccc2c1 3269150 RIAVOAJYIKQFDN-UHFFFAOYSA-N 349.358 4.242 0 40 EIAB C[C@H]1COC[C@@H](C)N1C[C@H](OCc1ccccc1)c1ccccc1 4683117 OYYMEFQHQMRVIF-UEXGIBASSA-N 325.452 4.054 0 40 EIAB Cc1ccccc1C1=Nn2c(nnc2-c2ccccc2Cl)SC1 5518179 MHVSEWMMSSVYMU-UHFFFAOYSA-N 340.839 4.265 0 40 EIAB CC(C)(C)c1cc(CCc2nnc(S)o2)cc(C(C)(C)C)c1O 6363941 OXVYMONDYWDXGM-UHFFFAOYSA-N 334.485 4.444 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 6541955 IRZLGUQHMKGQGH-AWEZNQCLSA-N 325.408 4.420 0 40 EIAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 7402751 RPJQBUMBEUUCCR-UHFFFAOYSA-N 349.761 4.468 0 40 EIAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccsc2)no1 7947176 GJVMHRXSHUQAPE-UHFFFAOYSA-N 347.827 4.331 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 8041049 KTDUAIDTKQOHDX-KRWDZBQOSA-N 343.492 4.120 0 40 EIAB CC[C@@H](Oc1ccccc1F)C(=O)NC12CC3CC(CC(C3)C1)C2 8049568 VDHPGZJZOSVLPN-SJFHUFEGSA-N 331.431 4.068 0 40 EIAB C[C@H](Sc1ncnc2ccccc12)C(=O)c1c[nH]c2ccccc12 8188843 DTPHTCIKTDSXPO-LBPRGKRZSA-N 333.416 4.475 0 40 EIAB COc1cccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 8209643 UDXWZACJPGPAKL-UHFFFAOYSA-N 336.416 4.370 0 40 EIAB O=C(CCc1nc2ccccc2o1)NCc1ccc(C(F)(F)F)cc1 8775064 QTGXGLSAXJQLLB-UHFFFAOYSA-N 348.324 4.096 0 40 EIAB Cc1nc(SCC(=O)c2ccc(F)cc2)[nH]c1Cc1ccccc1 8813114 OWZSTWBTZHFKBD-UHFFFAOYSA-N 340.423 4.423 0 40 EIAB COc1cccc([C@@H]2CCCN2C(=S)Nc2ccccc2F)c1 11035027 AUIVNHOHALFTQU-KRWDZBQOSA-N 330.428 4.368 0 40 EIAB CC(=O)c1ccc(OC(=O)c2occc2COc2ccccc2)cc1 11326809 BNDWRWATAJBYAL-UHFFFAOYSA-N 336.343 4.280 0 40 EIAB COc1ccc2oc(C)c(C(=O)Nc3cc(C)ccc3OC)c2c1 11866426 PHIZKRRMOIKRGX-UHFFFAOYSA-N 325.364 4.319 0 40 EIAB biogenic COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(OC)c2)cc1 12780963 KUQBURWMICTRDG-ZTVSIKPCSA-N 337.419 4.081 0 40 EIAB O=C(/C=C/c1cccc(F)c1)NCCCCOc1ccc(Cl)cc1 12799530 CAHGZQFRWDNMTJ-IZZDOVSWSA-N 347.817 4.468 0 40 EIAB Cc1cccc(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)n1 12851289 WHLYAJNUXUKCMS-CYBMUJFWSA-N 337.448 4.313 0 40 EIAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 12918987 CTLRYEPAINCAGQ-UHFFFAOYSA-N 334.400 4.486 0 40 EIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3C)o2)cs1 13006859 RLUOTSJLIGKWSO-UHFFFAOYSA-N 326.421 4.258 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(CC)cc2)c(C)c1 13668950 OADZVADZQPCTGY-UHFFFAOYSA-N 339.435 4.305 0 40 EIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c(OC)c1 13931403 VFKLVTSBUFJIFE-CQSZACIVSA-N 344.480 4.368 0 40 EIAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 15796758 FBEYZLISAGQMKT-CZUORRHYSA-N 340.423 4.149 0 40 EIAB C[C@H](NC(=O)c1ccc(Br)o1)c1ccc2c(c1)CCCC2 18212560 WYNZUSYLDOIAOX-NSHDSACASA-N 348.240 4.412 0 40 EIAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C1 21734282 OVECKDAXVBMALR-JHJVBQTASA-N 334.510 4.281 0 40 EIAB O=C(CCn1ccc2ccccc21)OCc1cc(-c2ccccc2)no1 22132867 QZSFDMGVJDXPEU-UHFFFAOYSA-N 346.386 4.430 0 40 EIAB Cc1cc(C)c([C@H](C)NC(=O)COc2c(C)cccc2C)cc1C 22538072 FBBDBIVZOZCZQO-SFHVURJKSA-N 325.452 4.485 0 40 EIAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)N3CCCC3)ccc21 23865502 GOHXQIAVVAYAQQ-OAHLLOKOSA-N 335.451 4.237 0 40 EIAB Cc1nc(CN2CCC(C(=O)c3ccccc3)CC2)nc2ccccc12 25060232 IBFBPWNYVIIKGW-UHFFFAOYSA-N 345.446 4.033 0 40 EIAB O=C(CC1CCCCC1)NCc1cccc(OCc2ccccn2)c1 32930604 MUXXEUHNMVRVBV-UHFFFAOYSA-N 338.451 4.247 0 40 EIAB CCCN(CCC)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 33392130 ZZDMGBWQFIICHP-JUBDITTISA-N 344.480 4.359 0 40 EIAB CC[C@@H](NC(=O)CCOc1ccccc1)c1ccccc1OC(F)F 40090589 KPEPIMQEKRKRLK-MRXNPFEDSA-N 349.377 4.324 0 40 EIAB Brc1cc(Cc2ccccc2)ccc1OC[C@@H]1CCNC1 42770240 BVKVUSKTVDHRLV-MRXNPFEDSA-N 346.268 4.028 0 40 EIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1cccc2ccccc12 44880903 XYBXYYPIZOKRBJ-INIZCTEOSA-N 349.430 4.322 0 40 EIAB Fc1cccc(CNC(=S)Nc2cccc(Br)c2)c1 46415827 USVSBNHJRBJZTD-UHFFFAOYSA-N 339.233 4.075 0 40 EIAB O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1 46528224 COIRGLLEXIHCLD-UHFFFAOYSA-N 347.370 4.247 0 40 EIAB CCN(C(=O)Nc1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(F)cc1 47388892 SFLLQVMZEZHVIX-ZDUSSCGKSA-N 343.402 4.399 0 40 EIAB O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccncc1 57084080 ZSBSJCOKVIQTPD-MRXNPFEDSA-N 328.824 4.316 0 40 EIAB O[C@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc12 60342746 AUURWASIUZNMSJ-GJZGRUSLSA-N 325.437 4.074 0 40 EIAB Cc1ccccc1N(C(=O)[C@@H]1CCOC1)c1nc2ccccc2s1 69315565 MCIBSOKJWLWPDO-CQSZACIVSA-N 338.432 4.306 0 40 EIAB CC(C)[C@@H](C)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 72055407 PNGMEXBGUQZSSX-CQSZACIVSA-N 343.496 4.477 0 40 EIAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2oc(C)nc2C)cc1 73028954 KUEYCCQXFAFRJV-UHFFFAOYSA-N 349.434 4.091 0 40 EIAB COc1ccc(Br)cc1[C@H](C)NC(=O)OC(C)(C)C 79036492 NDRKPQMJMFDZGI-VIFPVBQESA-N 330.222 4.043 0 40 EIAB Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 81000276 OFCGXLRXCRPVCZ-IAGOWNOFSA-N 348.450 4.000 0 40 EIAB Fc1cc(Nc2ncnc3ccsc23)cc(F)c1N1CCCC1 84618371 WGBGQVVEDIGVIX-UHFFFAOYSA-N 332.379 4.313 0 40 EIAB Cc1c(C(=O)N[C@@H](CCO)c2cccs2)oc2c(Cl)cccc12 95426705 RFKODTHVDLGELH-ZDUSSCGKSA-N 349.839 4.310 0 40 EIAB COc1ccccc1N1CC[C@@H](CNc2ncc(C(C)C)s2)C1 95467704 NQZFUGPMUCWONS-AWEZNQCLSA-N 331.485 4.214 0 40 EIAB C[C@H](N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1)c1cnn(C)c1 96478374 BKIJMQIGZFAWNR-KGLIPLIRSA-N 340.402 4.158 0 40 EIAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CN)CC1 100658565 AYNJLMVJFJIIRO-OKILXGFUSA-N 330.497 4.272 0 40 EIAB FC(F)(F)CN(Cc1ccccc1)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 103281793 DSPLIZUTOINTMK-KKUMJFAQSA-N 342.430 4.114 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCC[C@@H]2C)c(OC)c1 106523364 YPWKBTDVBFAZMU-WBAXXEDZSA-N 346.471 4.129 0 40 EIAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1cccnc1 107332124 DTKGIZRBYWMKMO-WMEZAQDKSA-N 337.467 4.044 0 40 EIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)C1 224332715 NAWSAKMQXFQSQR-KRWDZBQOSA-N 326.484 4.149 0 40 EIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1cccc(C)c1 224386928 NZNJODRPDQLUDV-UHFFFAOYSA-N 341.451 4.455 0 40 EIAB CC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(OC)c(OC)c1 224972234 GNOXGDGNHOERPZ-QGZVFWFLSA-N 345.414 4.043 0 40 EIAB S=C(NCCC1=CCCCC1)Nc1nccc(-c2cccs2)n1 225184579 LSJOZOOTHKYFJL-UHFFFAOYSA-N 344.509 4.382 0 40 EIAB CC(C)Sc1nnc(NC(=O)CCSc2ccccc2)s1 225740160 HYHIBWPEMTUKGO-UHFFFAOYSA-N 339.511 4.160 0 40 EIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N)cc1C 227144841 IZPVONWUTVVVQJ-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB Cc1noc(C)c1-c1cccc(C(=O)N[C@H]2CCCc3ccccc32)n1 257224941 FEAZKHBRHBWJJZ-KRWDZBQOSA-N 347.418 4.161 0 40 EIAB CC(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257311163 UIFVLMMLOJYVMW-KRWDZBQOSA-N 330.403 4.114 0 40 EIAB O[C@H](COc1ccc2ncccc2c1)Cc1ccc(C(F)(F)F)cc1 555565351 XKKMRCKPIQQRGT-INIZCTEOSA-N 347.336 4.236 0 40 EIAB Cc1noc(C)c1C(=O)NCCc1ccc(-c2ccsc2)s1 575414004 IIQJZXNXDIELOJ-UHFFFAOYSA-N 332.450 4.054 0 40 EIAB CC[C@H](C(=O)NCc1nccnc1-c1cccs1)c1ccccc1 575620037 IVJSHQKQMQYPHN-HNNXBMFYSA-N 337.448 4.015 0 40 EIAB COc1cc(CNC[C@](C)(O)C2CCCCC2)cc2ccccc12 1657167286 MCSKKTTWWWOTJM-NRFANRHFSA-N 327.468 4.269 0 40 EIAB CCCc1ccc(OCc2ccc(C(=O)NCC(C)C)o2)c(OC)c1 115644 PVPDRKBKTXCOIG-UHFFFAOYSA-N 345.439 4.206 0 40 EIAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C)C 150325 ABQUWGBXNVSVDH-UHFFFAOYSA-N 335.400 4.325 0 40 EIAB CCc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 354341 WCKZVQZZIBAUBG-UHFFFAOYSA-N 327.383 4.301 0 40 EIAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 426367 XAMBCEGAKIMTFV-UHFFFAOYSA-N 345.406 4.185 0 40 EIAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)NCc1ccccc1 557430 UPWYSIKHDYTCFE-BQYQJAHWSA-N 336.218 4.332 0 40 EIAB COc1ccccc1-n1cnc2sc(-c3ccccc3)cc2c1=O 798344 GFBUKFKZHZJOQX-UHFFFAOYSA-N 334.400 4.123 0 40 EIAB C[C@@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 2201711 HDDWOIDWZRVHKS-GFCCVEGCSA-N 349.463 4.391 0 40 EIAB CC(=O)COC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 2627654 IZSRCOIEGXBCHV-UHFFFAOYSA-N 333.387 4.264 0 40 EIAB COc1cccc2cc(C(=O)Nc3ccccc3C(C)C)c(=O)oc12 3235287 JAUNRLBKNLJROH-UHFFFAOYSA-N 337.375 4.177 0 40 EIAB O=c1nc(/C=C/c2cccc(Cl)c2Cl)cc(C(F)(F)F)[nH]1 3998323 KVSSQXDIZWFLMO-SNAWJCMRSA-N 335.112 4.266 0 40 EIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(=O)c2ccccc2o1 4077630 YVRZDSDSMGGGSL-UHFFFAOYSA-N 334.158 4.352 0 40 EIAB C[C@H]1C[C@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC[C@H]1C 4099878 HSYKUCUHSYQGQW-HRDYMLBCSA-N 335.288 4.421 0 40 EIAB biogenic COC(=O)c1scc(C)c1NC(=O)/C=C/c1ccc(Cl)cc1 4104987 UCOAPZIYDWAHAN-VMPITWQZSA-N 335.812 4.148 0 40 EIAB CCOC(=O)c1ccc(N2C(=O)[C@H](C)S[C@@H]2c2ccccc2)cc1 4183814 BHAVOXLQOYWZIO-SCLBCKFNSA-N 341.432 4.030 0 40 EIAB CCc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1 4204727 QIFRYXOWETUXID-OUKQBFOZSA-N 332.403 4.259 0 40 EIAB O[C@@]1(C(F)F)[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 5275065 NRVPYWNFAOVQDB-MGPLVRAMSA-N 337.395 4.006 0 40 EIAB O=C(COc1ccc(Oc2ccccc2)cc1)NC1CCCCC1 5292974 RXHKIFICWNMIAM-UHFFFAOYSA-N 325.408 4.307 0 40 EIAB CCc1cccc(C)c1NC(=O)CCc1c(C)nc(SC)nc1C 5403808 RBTNJSKCJJYGJC-UHFFFAOYSA-N 343.496 4.257 0 40 EIAB O=C(NCc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1 5466349 OUHIWYQXPRAZTI-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 6852939 PCSYKZBHHWWSPH-BMIGLBTASA-N 339.222 4.237 0 40 EIAB COc1cc(C(=O)OCc2coc(-c3cccs3)n2)ccc1C 7147129 UGFBLTDMVCGDTA-UHFFFAOYSA-N 329.377 4.077 0 40 EIAB CCCCC(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 7319153 NCEXPROYHQSIPZ-UHFFFAOYSA-N 333.501 4.159 0 40 EIAB CCn1nccc1NC(=O)CSc1cccc2cccc(Cl)c12 8038109 RYBARCHGAGQJIH-UHFFFAOYSA-N 345.855 4.440 0 40 EIAB Cc1ccc(NC(=O)COCc2nc3ccccc3s2)c(Cl)c1 8394739 JPFWUTLLJCDGEB-UHFFFAOYSA-N 346.839 4.413 0 40 EIAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(C)cc2)cc1 8411384 LCUBNUWNWQLOBR-UHFFFAOYSA-N 338.476 4.486 0 40 EIAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@H]1c1ccc(F)cc1 9698464 OMSBHLUKQSIXLU-KRWDZBQOSA-N 338.386 4.065 0 40 EIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 10448336 UEHMJCDABORYPN-MRXNPFEDSA-N 325.452 4.376 0 40 EIAB CCCOC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 10953881 KTHYFYZACNPHOT-UHFFFAOYSA-N 341.411 4.456 0 40 EIAB NC(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccc(F)cc1 11268342 ICEJEZOCOPCURN-CQSZACIVSA-N 332.425 4.020 0 40 EIAB Cc1cc2c(cc1CNC1(c3ccccc3F)CCCC1)OCO2 12328260 DHJHAIBFXBMBFK-UHFFFAOYSA-N 327.399 4.422 0 40 EIAB Cc1nc2ccccc2n1CC(=O)Nc1cc(Cl)cc(Cl)c1 12537939 AYXOOIRNTKYZBG-UHFFFAOYSA-N 334.206 4.290 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(O)nc2ccccc12 12917306 DZDLPRMLCMEGDJ-UHFFFAOYSA-N 344.773 4.005 0 40 EIAB C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccco1 14123512 PTYVISQRPUCNBR-LBPRGKRZSA-N 340.404 4.084 0 40 EIAB Cc1c(-c2ccccc2)sc2ncnc(NC3CCC(O)CC3)c12 14125957 BUTUSYJHVKPAQY-UHFFFAOYSA-N 339.464 4.382 0 40 EIAB C1CCCC(Nc2nc3nonc3nc2NC2CCCCCC2)CC1 15081642 GUOSSVMSGFQPKK-UHFFFAOYSA-N 344.463 4.282 0 40 EIAB Cc1nc2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2o1 15598612 ZBQCSVFZMLPDOM-UHFFFAOYSA-N 328.393 4.108 0 40 EIAB Cc1ccc(-n2nnnc2-c2c[nH]c3cc(Cl)c(Cl)cc23)cc1 16311477 RZDDGBGSJNNVNW-UHFFFAOYSA-N 344.205 4.426 0 40 EIAB COc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)C(C)C)cc1 19310905 SRNJQXPLJFBHOB-AUUYWEPGSA-N 345.414 4.115 0 40 EIAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20142174 IPMFTNJVEVIKHE-NSHDSACASA-N 347.798 4.468 0 40 EIAB Fc1cccc(CNc2ccccc2I)c1 20360867 OUYBOEGPNRVRNG-UHFFFAOYSA-N 327.140 4.042 0 40 EIAB Cc1noc(C)c1Cn1c(COc2ccccc2)nc2ccccc21 23656556 KNOJDUVSWRWUGQ-UHFFFAOYSA-N 333.391 4.268 0 40 EIAB Cc1noc([C@H](C)Nc2cccc(COc3cccc(F)c3)c2)n1 30449289 BEAHXYNINKVQPN-LBPRGKRZSA-N 327.359 4.269 0 40 EIAB Cn1ccnc1[C@@H](NCc1ccc(Cl)s1)c1ccc(F)cc1 30644112 PSZFPCHGSLKGAE-HNNXBMFYSA-N 335.835 4.153 0 40 EIAB C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccccc1F 32823569 AKNCKENBNVJARO-NSHDSACASA-N 331.774 4.132 0 40 EIAB CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(C(C)(C)C)[C@H](Cl)C1=O 38337825 FUJAFOQTUOUJSK-QMTHXVAHSA-N 325.663 4.308 0 40 EIAB C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 39205618 PHKSUFCCGLWIMC-SIKIZQCASA-N 332.440 4.048 0 40 EIAB biogenic,in-vitro CC[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1 40005374 CKEADNPENAMQRH-OAQYLSRUSA-N 347.462 4.084 0 40 EIAB Cc1noc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)n1 40489886 BMZCZWPQIUYUEH-UHFFFAOYSA-N 347.296 4.316 0 40 EIAB CC(C)c1ccccc1NC(=O)CCNC(=O)c1c[nH]c2ccccc12 47516547 GBQQWXJXXKKMPT-UHFFFAOYSA-N 349.434 4.050 0 40 EIAB COc1ccc2oc(Nc3nc4c(N)cc(C)cc4s3)nc2c1 57352564 CXCBMGSVOPIQHH-UHFFFAOYSA-N 326.381 4.080 0 40 EIAB Cc1ccn2cc(C(=O)Nc3cnccc3Oc3ccccc3)nc2c1 58366475 LWVKAMPWBQGIGD-UHFFFAOYSA-N 344.374 4.082 0 40 EIAB COc1c(Cl)cc(NC(=O)[C@H](C)OC2CCCC2)cc1Cl 70815881 YTJMRAQOHXCTKM-VIFPVBQESA-N 332.227 4.288 0 40 EIAB O[C@@H](CNc1ncnc2sc(-c3ccccc3)cc12)c1ccco1 75668669 QFNBLSDKWOVTBW-AWEZNQCLSA-N 337.404 4.097 0 40 EIAB Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 75939385 NKNZGJBWIMQANB-UHFFFAOYSA-N 326.425 4.217 0 40 EIAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(F)c1 78536330 HEELYRHMMREPSD-UHFFFAOYSA-N 338.176 4.239 0 40 EIAB O=C(Nc1cccc2ccccc12)N1CCOC[C@@H]1c1ccccc1 78936274 AKHDTFBFVLRTBG-HXUWFJFHSA-N 332.403 4.445 0 40 EIAB Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)o1 78965818 NKGOFWDSBBVHLO-UHFFFAOYSA-N 343.770 4.384 0 40 EIAB O=Cc1cccc(OCc2nc(-c3cc(Cl)ccc3Cl)no2)c1 89262898 BFDJHEGQRDRZAX-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB c1cncc(-c2ccc(CN3CCC(OC4CCCC4)CC3)o2)c1 92758619 DOBKWPCKUSELIE-UHFFFAOYSA-N 326.440 4.265 0 40 EIAB Cc1noc(C)c1C[C@@H](C)NC1CCN(c2ccc(Cl)cc2)CC1 95422805 WHCJKFLHDCXCTK-CYBMUJFWSA-N 347.890 4.134 0 40 EIAB CC[C@H](NC(=O)c1c[nH]c2cccc(F)c12)c1ccc(OC)cc1 95445219 FIAATPKBGVCVGS-INIZCTEOSA-N 326.371 4.197 0 40 EIAB C[C@@H](N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccc(F)cc1 96286473 JJNXXPMAFUVGRU-CYBMUJFWSA-N 335.382 4.160 0 40 EIAB C[C@H](Nc1cccc(Cn2cccn2)c1)c1nc(-c2ccccc2)no1 96480876 MJOBZWRYCAFZEI-HNNXBMFYSA-N 345.406 4.155 0 40 EIAB Cc1cnc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 97033056 MKMIHJSAHPLKDX-OAHLLOKOSA-N 335.407 4.086 0 40 EIAB O=C(O)/C=C/c1ccc(Cl)c(NC(=S)NC2CCCCC2)c1 216929714 DCYIYOZDNLYBSF-VQHVLOKHSA-N 338.860 4.057 0 40 EIAB CC(C)Oc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 219738604 MBKXLJLFQUVUOU-UHFFFAOYSA-N 331.843 4.490 0 40 EIAB COc1ccc(CCNC(=O)CCc2cccc3ccccc23)cc1 222661686 OYOJUEXVSQRUEZ-UHFFFAOYSA-N 333.431 4.140 0 40 EIAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223151505 MEFKKNKFGAHDSA-OAHLLOKOSA-N 325.477 4.453 0 40 EIAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1C 223490906 RMNSRCVWXYLEIV-GOSISDBHSA-N 325.452 4.485 0 40 EIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccncc2)cc1 225501970 OYVLFMDHRPOBPU-QGZVFWFLSA-N 329.469 4.164 0 40 EIAB CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 226349555 JMWVKXUFPBQEQU-UHFFFAOYSA-N 349.228 4.071 0 40 EIAB C[C@@H](CN[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1nccs1 248742698 AIDCRVKUMDYKPU-DSLXNQLJSA-N 341.524 4.032 0 40 EIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 408708426 ZQHMIWKBZAQVEY-LLVKDONJSA-N 345.270 4.265 0 40 EIAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Br)s2)C1=O 409018061 XFCKWIKYCYBDAR-TUOMEMKJSA-N 346.271 4.345 0 40 EIAB Cc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)c1 190300 FVKZVHNTPYTWSF-UHFFFAOYSA-N 349.459 4.488 0 40 EIAB COc1ccc(O)c(-c2cc(-c3ccc(Br)cc3)[nH]n2)c1 275490 HMFTUWCAPYJWPF-UHFFFAOYSA-N 345.196 4.220 0 40 EIAB CCc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)cc1 361393 CVNWMJIMQVOSDR-UHFFFAOYSA-N 348.855 4.038 0 40 EIAB CC(=O)c1cccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1 426629 QMSPZJSLWAOMES-AWEZNQCLSA-N 340.423 4.281 0 40 EIAB Cc1ccc([C@@]2(CC(=O)N3CCCCC3)CCO[C@H](C(C)C)C2)cc1 554180 ATVIILYCGCSENE-UNMCSNQZSA-N 343.511 4.470 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 568312 PKACUSWKSDUBOB-UHFFFAOYSA-N 333.435 4.188 0 40 EIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)c(C)c1 570465 PTRIYHYVTWTEHN-UHFFFAOYSA-N 332.856 4.392 0 40 EIAB COc1cc([C@H](OC)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 1453836 OYKQOZVBDSJLPM-IBGZPJMESA-N 341.407 4.238 0 40 EIAB CCCc1nc2ccccc2c(=O)n1-c1ccccc1Br 3154107 YLTYQXLAEKSEFG-UHFFFAOYSA-N 343.224 4.101 0 40 EIAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)n1 3236197 SWQKRGPTCSBVMY-NRFANRHFSA-N 345.446 4.297 0 40 EIAB O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(F)c1F 3534024 YUKRISSLJQALST-UHFFFAOYSA-N 344.130 4.048 0 40 EIAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl 3602678 MKWCPGMDHITMNN-UHFFFAOYSA-N 345.811 4.121 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 3983819 HVPVPQFZGNASDB-GQDVPIKJSA-N 326.484 4.056 0 40 EIAB Cc1ccc(NC(=O)c2cc(Br)cc(Cl)c2O)cc1 4181893 DCPTUUUKRBBYNN-UHFFFAOYSA-N 340.604 4.369 0 40 EIAB CC(C)(C)CC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305440 AASZPJPTXNEOAI-QGZVFWFLSA-N 342.508 4.404 0 40 EIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)C1CCCCC1 4888089 HCJAFQFRCUIHKE-AYHJJNSGSA-N 346.540 4.330 0 40 EIAB O=C(CSc1ccc2ccccc2n1)NCCCc1ccccc1 5627492 MCVBRYSXBXJRPA-UHFFFAOYSA-N 336.460 4.076 0 40 EIAB O=C(COc1cccc2ccccc12)N[C@@H]1CCCc2ccccc21 6010594 SEKUXBRBMNQTJP-HXUWFJFHSA-N 331.415 4.412 0 40 EIAB CCCCC(=O)Nc1nc(NCc2ccccc2)n(-c2ccccc2)n1 6760477 YWMMQQJXVVAJIB-UHFFFAOYSA-N 349.438 4.008 0 40 EIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cc(Cl)c2c(c1)OCO2 8054490 XKDCOVVTZPBMQI-JYOAFUTRSA-N 334.158 4.215 0 40 EIAB Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 8117001 SHAFSVMNXKQQQF-UHFFFAOYSA-N 346.312 4.051 0 40 EIAB COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1F 8347786 ITAWIYSONLORIZ-LLVKDONJSA-N 344.411 4.277 0 40 EIAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NC1CCCCC1 8375248 NLNQAJDQQONLJD-UHFFFAOYSA-N 342.464 4.087 0 40 EIAB COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OC 9447813 KEFIMXFDUPXRBI-GFCCVEGCSA-N 333.815 4.190 0 40 EIAB COc1ccc2oc(C(=O)Nc3ccc4oc(C)nc4c3)c(C)c2c1 9910139 NYKPRJACYRHVDA-UHFFFAOYSA-N 336.347 4.452 0 40 EIAB CNc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 10157198 NOIOAGNLKNMVLA-LLVKDONJSA-N 341.798 4.073 0 40 EIAB CCc1cccc(N[C@H](c2ccc(Cl)cc2)P(=O)(O)O)c1 12526555 LRKPZJRJIZPTKJ-HNNXBMFYSA-N 325.732 4.191 0 40 EIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2cccnc12 12789015 NJRPEUJBICEPDZ-GFCCVEGCSA-N 326.783 4.294 0 40 EIAB COc1ccccc1CNCc1cc2cccc(C)c2nc1Cl 13534796 BIJAOQYRAOVSTH-UHFFFAOYSA-N 326.827 4.495 0 40 EIAB O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1Cl 13549928 IZMTXADYJPOVNS-UHFFFAOYSA-N 333.775 4.250 0 40 EIAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)NC1=O 13843843 UDWOEWQITJSMED-WJDWOHSUSA-N 327.405 4.343 0 40 EIAB COc1ccccc1-c1nnc(NC(=O)c2ccccc2Cl)s1 18007796 IYZYDCQGMHKCIM-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB COc1cccc(-n2c(SC)nnc2-c2c[nH]c3ccccc23)c1 18141685 KUYQCDQQLFLOTM-UHFFFAOYSA-N 336.420 4.146 0 40 EIAB O=C1CS[C@H](c2cccc(Br)c2)N1C1CCCCC1 19927454 HZKBQWJUJRBRJK-OAHLLOKOSA-N 340.286 4.356 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(F)cc1 22053885 LZFAWHHUGBWTMH-UHFFFAOYSA-N 337.354 4.225 0 40 EIAB Cc1cc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)no1 24877661 BOQQVEVSDNNIFU-LJQANCHMSA-N 332.359 4.249 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccccc1Cl 24937720 AHNVZOORGMYSEU-ZDUSSCGKSA-N 349.883 4.459 0 40 EIAB COc1cc(CN[C@@H]2CCOc3ccccc32)ccc1OC(C)C 25357144 WDCVFDQLVPPMKA-QGZVFWFLSA-N 327.424 4.096 0 40 EIAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1 25767315 ZNJIJAYQZZWKSA-UHFFFAOYSA-N 349.434 4.401 0 40 EIAB CN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26295305 GPCQIZSFZDGULR-TZMCWYRMSA-N 332.341 4.088 0 40 EIAB COc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OC 40097639 ZAHNYTQOUWOWIV-LLVKDONJSA-N 334.803 4.240 0 40 EIAB COCCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 40129031 USQLTKPOABNWJA-UHFFFAOYSA-N 326.421 4.328 0 40 EIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1 40301599 XJMNQGRQFWSVJL-UHFFFAOYSA-N 339.620 4.245 0 40 EIAB O=C(NC1CCCC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 42622629 CGGWNQUMHNYKGP-CABCVRRESA-N 326.465 4.405 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1ccc(CN2CCCC2)cc1 43210883 SPCLAPLILMEXKW-UHFFFAOYSA-N 345.483 4.369 0 40 EIAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 44239658 HRUDTKPVLPTJJV-UHFFFAOYSA-N 336.407 4.239 0 40 EIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1Cl 44837816 ZNVAJKKKWTVUKU-UHFFFAOYSA-N 341.798 4.299 0 40 EIAB CC(C)C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 44936994 UKNJCFAJIBXNDY-NRFANRHFSA-N 347.462 4.449 0 40 EIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1C 51356804 FZDBIRZRFMJFBK-UHFFFAOYSA-N 325.408 4.222 0 40 EIAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1Cl 54363227 AJSZYDUXNMQBJR-UHFFFAOYSA-N 338.300 4.487 0 40 EIAB Cc1ccccc1NC(=O)N1CCCN(CC2CCCCC2)CC1 56528484 WQEJRYFAHPBPTO-UHFFFAOYSA-N 329.488 4.115 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2c(s1)CCC2 57817372 FSGADCHGBLZTJN-UHFFFAOYSA-N 335.432 4.255 0 40 EIAB COc1c(Cl)cc(NCc2nc(-c3ccco3)no2)cc1Cl 58192931 TUWPYOFUWCGJEO-UHFFFAOYSA-N 340.166 4.257 0 40 EIAB CC(C)Oc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1 61997139 MFDFLPYFRRRJJX-UHFFFAOYSA-N 336.391 4.059 0 40 EIAB CCCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc2ccccc12 69176587 SIENSRIKRFYFHN-RBUKOAKNSA-N 333.435 4.120 0 40 EIAB Cc1csc(-c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2)n1 69653986 MWCDATDZOZDIRE-UHFFFAOYSA-N 349.459 4.318 0 40 EIAB Cc1csc(C2(NC(=O)Nc3c(F)cccc3F)CCCC2)n1 71911696 LIPBCGXNFYYHCQ-UHFFFAOYSA-N 337.395 4.321 0 40 EIAB Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)n(C2CCCC2)n1 72243192 GTWIJHWCYUNASS-UHFFFAOYSA-N 336.439 4.208 0 40 EIAB O=C(NCc1ccc(C(=O)c2cccs2)s1)Nc1ccccc1 85474165 UPTVXRSIGQLUOM-UHFFFAOYSA-N 342.445 4.362 0 40 EIAB Cc1cc(-c2nc(N3CCCCCC3)sc2CC(=O)O)ccc1F 95097145 NJSONNYPDBYBLL-UHFFFAOYSA-N 348.443 4.265 0 40 EIAB COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C 96023699 ZAOFNJDVAJQRBK-LPNJYYIDSA-N 346.467 4.202 0 40 EIAB biogenic O=C(CCc1ccncc1)NC(c1cccs1)c1cccs1 96414511 VBENZCBVBMNQSV-UHFFFAOYSA-N 328.462 4.043 0 40 EIAB CC[C@](C)(NC(=O)CCCc1c[nH]c2ccccc12)c1nccs1 96416665 WTLLMFPAHPDBAN-IBGZPJMESA-N 341.480 4.389 0 40 EIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 96659587 OPEHJOQKLGXKCQ-UHFFFAOYSA-N 333.453 4.200 0 40 EIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)CSc1nc3ccccc3o1)C2 102889035 ZOJYAXVXZMFELB-KPAZRMRSSA-N 344.480 4.251 0 40 EIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(OC(C)C)c1 113954179 CNLMFETYCSMDOW-IBGZPJMESA-N 341.451 4.256 0 40 EIAB O=C(CSC1CCCC1)N1CCS[C@@H](c2ccccc2)CC1 206986633 NOZJZUCJXUNEIB-QGZVFWFLSA-N 335.538 4.369 0 40 EIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 219955576 LJQFWKLSFYBXNB-QGZVFWFLSA-N 325.408 4.118 0 40 EIAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 222481748 MSGJBXBPJDFSGP-XRGAULLZSA-N 349.352 4.187 0 40 EIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219788 LZQNOIHLSGRTKN-VBKZILBWSA-N 341.426 4.349 0 40 EIAB Cc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224038730 CXXWXTBUXGVAPB-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB COc1cccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225088670 ATJMYNNNZAAMOS-HNNXBMFYSA-N 341.190 4.077 0 40 EIAB Cc1nc(/C=C2/SCCN2C(=O)c2cccc(Cl)c2)cs1 225258423 ALEYBTFDFONNLK-RIYZIHGNSA-N 336.869 4.293 0 40 EIAB Cc1ccc(SCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225286549 DBXNJKAMINHWNQ-UHFFFAOYSA-N 338.448 4.352 0 40 EIAB O=C(/C=C/c1ccccc1)NCc1ccc(Oc2nccs2)cc1 225646861 PEZYZWVOSHWVCA-DHZHZOJOSA-N 336.416 4.265 0 40 EIAB CSCCC(=O)c1ccc(Br)cc1C(F)(F)F 229510698 DVINGZBCCLQQOX-UHFFFAOYSA-N 327.165 4.404 0 40 EIAB O=C(NCc1cccnc1-c1cccnc1)c1cc2ccccc2s1 238843239 HYZUMDMHAPMUID-UHFFFAOYSA-N 345.427 4.288 0 40 EIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C)CC1 408707982 UJKFCEJYFJFJFV-UHFFFAOYSA-N 348.462 4.184 0 40 EIAB COc1ccc(/C=C(/C(=O)N2CCC(C)CC2)c2ccccc2)cc1 408922785 SIENYDWVXQETSU-LTGZKZEYSA-N 335.447 4.494 0 40 EIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CCCc1ccccc1 409137506 WVAJOOXEZQPSQN-GHRIWEEISA-N 341.407 4.495 0 40 EIAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3cccc(Cl)c3)[C@H]2C1 409412843 REVIUPJJWOONRD-RCBQFDQVSA-N 336.863 4.397 0 40 EIAB C[C@H](NC(=O)c1ccoc1C1CC1)c1nc2ccc(Cl)cc2[nH]1 585079823 SAKVYLDTMRQXOM-VIFPVBQESA-N 329.787 4.178 0 40 EIAB CCc1cccc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)n1 644965056 STKJEBZIOOGIMM-UHFFFAOYSA-N 346.434 4.096 0 40 EIAB Cc1nc(CN[C@@H](C)c2c(Br)ccc(F)c2F)cs1 1615587969 WGRBSIQEULSFPT-ZETCQYMHSA-N 347.228 4.343 0 40 EIAB COc1ccc(C(=O)Oc2ccc(Cl)cc2Br)cc1 359034 KWVHXZMZKSVZNE-UHFFFAOYSA-N 341.588 4.330 0 40 EIAB COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1C 422419 IMAGHDVPHLGMJC-UHFFFAOYSA-N 345.855 4.436 0 40 EIAB O=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1cc(F)ccc1-2 1679727 FJMNIWVHHAJYLO-UHFFFAOYSA-N 329.330 4.198 0 40 EIAB CCCCCCNc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 2193954 ZXHXKTUIDYIIIQ-GFCCVEGCSA-N 343.500 4.456 0 40 EIAB CC(C)Cc1nc2oc3c(N4CCCC4)ncnc3c2c2c1CCC2 2203500 WSTOZTPXCONPFV-UHFFFAOYSA-N 336.439 4.058 0 40 EIAB O=C(Nc1nc2c(F)cccc2s1)c1ccc2ncsc2c1 2723813 YOPMTMHSERXSJU-UHFFFAOYSA-N 329.381 4.297 0 40 EIAB CN(C(=O)COc1ccccc1F)C(c1ccccc1)c1ccccc1 2725772 JETXAOXSSIRKBA-UHFFFAOYSA-N 349.405 4.453 0 40 EIAB O=C(CSc1ccccc1Cl)NCc1ccccc1Cl 3218182 DITNYKHUIAYWQE-UHFFFAOYSA-N 326.248 4.402 0 40 EIAB C[C@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccc(F)cc1 3437202 KRHYEONMJYRKEK-JTQLQIEISA-N 342.197 4.389 0 40 EIAB CSc1ccccc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 3524418 JYUGVCXVEYFBPT-UHFFFAOYSA-N 340.400 4.180 0 40 EIAB COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 4660907 TVGRFJMGUAQMBT-UHFFFAOYSA-N 346.235 4.111 0 40 EIAB CSc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)s1 5211458 BMWRFKGNGDPBQC-UHFFFAOYSA-N 340.539 4.138 0 40 EIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6061921 VMNIKHBOOYADTH-NSHDSACASA-N 339.313 4.120 0 40 EIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C)cc1 6752913 CPVCTGBFTQTBMM-HXUWFJFHSA-N 347.418 4.046 0 40 EIAB O=C(CSCc1ccc(Cl)cc1)Nc1cccnc1Cl 7483387 ZADRAZXORHJHPW-UHFFFAOYSA-N 327.236 4.260 0 40 EIAB Cc1cc(C)cc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 8051049 ZHGPOSLZHSGNTI-NEFAXPCMSA-N 327.468 4.156 0 40 EIAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl 8267714 SLRLKULDMBMYPI-CHWSQXEVSA-N 341.282 4.444 0 40 EIAB O=c1[nH]c2ccccc2n1CCCOc1ccc(Cl)cc1Cl 8314453 PFSBCCDQAJRWFB-UHFFFAOYSA-N 337.206 4.106 0 40 EIAB Cc1ccc(SCCNC(=O)c2ccc(OC(C)C)cc2)cc1 8492862 ZXUDWFSCSNBYDS-UHFFFAOYSA-N 329.465 4.304 0 40 EIAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8497545 URAKWRRKJAPMIE-KRWDZBQOSA-N 343.492 4.288 0 40 EIAB Cc1n[nH]c2c1[C@@]1(C)CC[C@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 9692054 HVPVPQFZGNASDB-UVJZNVBJSA-N 326.484 4.056 0 40 EIAB CC(C)C[C@H](NC(=O)c1ccco1)c1nc2cccnc2n1C(C)C 12114105 IKASGIYXEDRSOI-HNNXBMFYSA-N 340.427 4.122 0 40 EIAB Cc1cc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)on1 12422421 RLVOFQZJTPGVKW-UHFFFAOYSA-N 333.372 4.492 0 40 EIAB CSc1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 12895845 RARASQHUHFZHEP-UHFFFAOYSA-N 345.449 4.091 0 40 EIAB CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 12993081 RANGERMMHJGWOL-RDJZCZTQSA-N 326.440 4.072 0 40 EIAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1ccc(Cl)cc1Cl 13250355 LZNSOEVYCMQQFY-GFCCVEGCSA-N 338.190 4.190 0 40 EIAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1 13942327 IWLLZKDYXHTQMM-BTYIYWSLSA-N 346.430 4.201 0 40 EIAB O=C(CCSc1ccccc1F)Nc1cccc2ncccc12 15760332 MJTUEPCKBRCGAZ-UHFFFAOYSA-N 326.396 4.495 0 40 EIAB COc1ccc(CCNC(=S)N(c2ccccc2)C(C)C)cc1 16186827 LMJWJLBVSCXCGO-UHFFFAOYSA-N 328.481 4.027 0 40 EIAB Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 16741341 VJDVNXSDNBDVQE-UHFFFAOYSA-N 335.403 4.196 0 40 EIAB COc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC 17338674 DMVOQXSGSIJGDZ-UHFFFAOYSA-N 344.169 4.402 0 40 EIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccc(Cl)cc1 19933969 UUVXZKFVWSSERC-SFHVURJKSA-N 347.842 4.165 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937311 JXZABVIZWGGSLU-UHFFFAOYSA-N 347.418 4.121 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1cccc(Cl)c1 20430087 HOGZQCBAEOVFIM-UHFFFAOYSA-N 328.568 4.494 0 40 EIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1cccc(C)c1 20455645 YZMYGLILOSUZCP-LJQANCHMSA-N 325.452 4.210 0 40 EIAB C[C@@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3Cl)c2C1 20572105 OIVATCPHLMNNLF-MRVPVSSYSA-N 325.195 4.359 0 40 EIAB O=C1C[C@H](/C=C/c2ccccc2)Cc2nc3nc4ccccc4n3cc21 20635313 PEPABYZCJKXXDO-SIFUEBAJSA-N 339.398 4.341 0 40 EIAB c1ccc([C@@H]2C[C@H](N3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 20719697 RQQFFNMHVWUEHQ-HRAATJIYSA-N 337.419 4.142 0 40 EIAB O=C(C1CC1)N(Cc1ccco1)c1nc2c(F)cc(F)cc2s1 22897570 BSXHYKJUBFCTAM-UHFFFAOYSA-N 334.347 4.111 0 40 EIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c(Cl)c1 25368317 IFVGAZUAMRPDOQ-CYBMUJFWSA-N 341.885 4.236 0 40 EIAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 27580209 BYKHUOYHONAUDK-UHFFFAOYSA-N 328.755 4.256 0 40 EIAB CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 27671615 CUFQCWVRNFAPPB-ZETCQYMHSA-N 344.267 4.291 0 40 EIAB Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1 27744005 SVOIAPDQXOHRJQ-UHFFFAOYSA-N 338.432 4.064 0 40 EIAB Cc1ccc(Cn2ccc(NC(=O)c3ccccc3Cl)n2)cc1 28224949 IVZCEPNAFYVNRZ-UHFFFAOYSA-N 325.799 4.146 0 40 EIAB COc1ccc([C@H]2CCCN2C(=O)COc2cccc(Cl)c2)cc1 28318598 HKVJFYXHDMPMHD-GOSISDBHSA-N 345.826 4.091 0 40 EIAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2ccc(C)cc2)cc1 31682498 SMPLAGWLHCAGNX-CQSZACIVSA-N 327.449 4.167 0 40 EIAB Cc1ccc(-c2nc(CC(=O)Nc3nc(C(C)C)cs3)cs2)o1 31892408 LBMCWKPUDMHJIJ-UHFFFAOYSA-N 347.465 4.473 0 40 EIAB O=C(Cc1csc(-c2cccs2)n1)Nc1c(F)cccc1F 32103486 BFWCDHUHCNZNSY-UHFFFAOYSA-N 336.388 4.331 0 40 EIAB CCCCN(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 32873824 PAIZYXHJZIZIRC-LJQANCHMSA-N 337.419 4.013 0 40 EIAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 38833809 XGQXFKQBXIEUOU-INIZCTEOSA-N 328.843 4.191 0 40 EIAB COc1cccc(SCC(=O)Nc2nc(C(C)(C)C)cs2)c1 40140644 XAXDJJMKEJKXQX-UHFFFAOYSA-N 336.482 4.180 0 40 EIAB CC(C)(C)[C@@H](NCn1nc2ccccn2c1=S)c1cccs1 40155523 KFKKTWCYRPMLKJ-AWEZNQCLSA-N 332.498 4.261 0 40 EIAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(Cl)cc1Cl 41095133 ORPFIEBMMIVMQX-LLVKDONJSA-N 344.263 4.341 0 40 EIAB O=C(CC[C@@H]1CCCO1)Nc1cccc(C2SCCCS2)c1 46165717 MSGIAQFQZIDQIY-HNNXBMFYSA-N 337.510 4.453 0 40 EIAB C[C@@]12CCCC(=O)N1CCc1c2n(Cc2ccccc2)c2ccccc12 51943496 JVSJJJJSMLYLDV-QHCPKHFHSA-N 344.458 4.473 0 40 EIAB C[C@H](NC(=S)N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1 53534349 KHHVOZSRDRQLTM-GUYCJALGSA-N 344.455 4.265 0 40 EIAB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 57406363 UXSUILQKSDOEIC-KRWDZBQOSA-N 330.431 4.393 0 40 EIAB c1ccc(-n2nnnc2N(C2CCCCC2)C2CCCCC2)cc1 59484658 LVCRWEFJLDDKMA-UHFFFAOYSA-N 325.460 4.134 0 40 EIAB COc1ccc(-c2ncccc2NC(=O)C(C)C)c2ccc(C)nc12 67727342 WZHNYQIANGWZIQ-UHFFFAOYSA-N 335.407 4.208 0 40 EIAB Cc1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)n(C)n1 68777122 AOYVVOVJHBDWQI-KSSFIOAISA-N 341.455 4.076 0 40 EIAB CCCCNC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 71909609 BHJYUJFSDFNIQL-DEOSSOPVSA-N 344.480 4.057 0 40 EIAB Cc1ccc2c(Cl)c(C(=O)NCC[C@@H](O)C(C)(C)C)sc2c1 72243158 RQORCAAIEPWVJW-CYBMUJFWSA-N 339.888 4.390 0 40 EIAB Cc1nc(C(=O)Nc2nc(-c3ccncc3)cs2)c(C(C)C)s1 72402510 HSHIZZOXTFXFHA-UHFFFAOYSA-N 344.465 4.346 0 40 EIAB O=C(Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2)C1CCC1 72404530 TUORZUOXPOXPAO-UHFFFAOYSA-N 337.379 4.147 0 40 EIAB COc1ccc(C)cc1NC(=O)c1cnc(-c2ccccc2)nc1C 75437364 WMNACSPKKKCXRT-UHFFFAOYSA-N 333.391 4.021 0 40 EIAB Cc1cc(N[C@@H](C)Cc2ccc(-c3ccccc3)cc2)n2ncnc2n1 84109957 BRQDHGJOBJIADX-HNNXBMFYSA-N 343.434 4.143 0 40 EIAB O=C(c1cccn1Cc1cccs1)N1CC[C@H](c2ccccc2)C1 84525534 DJCTUMCWEBVUOU-KRWDZBQOSA-N 336.460 4.228 0 40 EIAB Cc1cnc(-c2cccc(NC(=O)c3[nH]nc(C4CC4)c3Cl)c2)o1 88588501 YVFYRXPFGGCTDH-UHFFFAOYSA-N 342.786 4.156 0 40 EIAB Cc1cc([C@@H](C)NCc2ccc(Cn3ccnc3)cc2)c(C)s1 95420149 TUTAHXJJZZATQT-OAHLLOKOSA-N 325.481 4.461 0 40 EIAB Cc1csc(N2CCC(N[C@H](c3ncccc3C)C(C)C)CC2)n1 95422482 UPGFNWZJPUPBFM-KRWDZBQOSA-N 344.528 4.111 0 40 EIAB c1cc(CNc2ncnc3c2oc2ccccc23)cc(-c2ncc[nH]2)c1 95460522 ISPKJVMZRDZFAC-UHFFFAOYSA-N 341.374 4.378 0 40 EIAB COc1ccc(C(=O)NCC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 100585393 VSQUKEYFHHDLQE-IJXDTGRPSA-N 327.468 4.422 0 40 EIAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)NN(c1ccccc1)c1ccccc1 102226466 SWTQMPOEJNNTNM-BXWFABGCSA-N 337.492 4.392 0 40 EIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 105938533 ULYLRUWNCIPQDB-ZWOKBUDYSA-N 344.499 4.012 0 40 EIAB O=C(NCc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 216405312 XHOXLMUGMMNJED-UHFFFAOYSA-N 342.442 4.179 0 40 EIAB O=C(Cc1ccsc1)N1CCS[C@@H](c2ccccc2F)CC1 219125384 XUUKPRLQJFPGKA-MRXNPFEDSA-N 335.469 4.137 0 40 EIAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)cc1 222709836 FFCPEKMBKKYRRA-GOSISDBHSA-N 347.455 4.335 0 40 EIAB Cc1ccccc1OCCNC(=O)CSCc1ccccc1Cl 223402856 IIAPIPWTSJOYMX-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccc(Cl)cc2)cc1 223438081 NJSYJXBIZLAJCL-CQSZACIVSA-N 349.883 4.324 0 40 EIAB S=C(NCCCc1ccccc1)Nc1ncc(Cl)cc1Cl 223960057 WIQWGBJHKIPAJG-UHFFFAOYSA-N 340.279 4.308 0 40 EIAB Cc1cccc(CNC(=O)CSCc2ccc(Cl)cc2F)c1 224828543 PCHNEVMPSCSMPD-UHFFFAOYSA-N 337.847 4.337 0 40 EIAB COC(=O)c1cc2cc(NC(=S)NCCC(C)C)ccc2s1 225213518 CCNWTYAYHRRNIR-UHFFFAOYSA-N 336.482 4.020 0 40 EIAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C 225852800 BJZBFXZOVCSFNG-OAHLLOKOSA-N 331.843 4.083 0 40 EIAB CCCCOc1ncc(NC(=O)C2(OC)CCCCCC2)cc1C 225888662 VMLOFHXZTMGVGD-UHFFFAOYSA-N 334.460 4.247 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]21 408626097 ZTLYRSSWKPGFQN-HOJOPBEUSA-N 348.229 4.251 0 40 EIAB Cc1nc2ccccc2n1C1CN(c2ncc(Cl)cc2Cl)C1 1775974964 YYPDCXYUCGZRLU-UHFFFAOYSA-N 333.222 4.108 0 40 EIAB O=C(O)CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 259884 WEWWRLNNZRBQTR-UHFFFAOYSA-N 340.404 4.157 0 40 EIAB Cc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 276464 LASGEMOQFMYNOO-UHFFFAOYSA-N 345.899 4.167 0 40 EIAB Clc1ccc(-n2nnnc2-c2ccccc2Cl)cc1Cl 351576 GCRDLTYLXOZREL-UHFFFAOYSA-N 325.586 4.290 0 40 EIAB O=C(COc1ccccc1Cl)Nc1ccccc1N1CCCCC1 569666 LJPZBVREUCZFMD-UHFFFAOYSA-N 344.842 4.348 0 40 EIAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccco1 2179508 JCLNXBYWSPKIEC-UHFFFAOYSA-N 330.236 4.250 0 40 EIAB COc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)c1 3422972 OBOWSRFYXQVLNA-UHFFFAOYSA-N 338.407 4.076 0 40 EIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(Cl)c1 3563952 RNDRZFKDMAEXKM-UHFFFAOYSA-N 327.733 4.218 0 40 EIAB O=C(NC1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 3907717 TWOPKXWWFFBLLF-UHFFFAOYSA-N 349.228 4.167 0 40 EIAB Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 4025683 CWEKHXSSQMBRHH-GDXXKUFXSA-N 327.468 4.320 0 40 EIAB biogenic O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc(F)cc1 5023523 HDQXJYPBEJVKLX-NBMJBFSESA-N 337.394 4.008 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 5199104 SDNZDMKSXSVZSH-QGZVFWFLSA-N 338.451 4.391 0 40 EIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2ccccc2c1 5440546 NDVXJGGRELRKFB-UHFFFAOYSA-N 330.387 4.219 0 40 EIAB CC(=O)c1sc(NC(=O)Cc2ccc(Cl)c(Cl)c2)nc1C 6974946 QAHOOEZZSZUGBC-UHFFFAOYSA-N 343.235 4.142 0 40 EIAB Brc1ccccc1OCc1nc(-c2ccsc2)no1 7478037 HAEPJLGLUOFUKQ-UHFFFAOYSA-N 337.198 4.140 0 40 EIAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc(F)cc1Cl 7651160 FSUMBXZATOAYOT-UHFFFAOYSA-N 344.817 4.207 0 40 EIAB O=C(COc1ccc2ccccc2c1)Nc1cccc2ncccc12 7757912 JRDPHBPWBNQXTC-UHFFFAOYSA-N 328.371 4.406 0 40 EIAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)o1 7884879 BUTNUGJUWSQVHI-IBGZPJMESA-N 334.375 4.368 0 40 EIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc2cccnc12 8391534 CSAWLCBCWBMRTK-UHFFFAOYSA-N 331.419 4.477 0 40 EIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(Cl)ccc1OC 8496116 PWSVULHRORSDOJ-INIZCTEOSA-N 333.815 4.453 0 40 EIAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 8746271 ZUYQMOSSEYQGJP-ZDUSSCGKSA-N 325.437 4.097 0 40 EIAB Fc1cccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1 9047397 LPRGNLNWYAKTKM-UHFFFAOYSA-N 335.367 4.140 0 40 EIAB CSc1nnc(SCC(=O)c2cc(C)n(C(C)C)c2C)s1 9387246 MBWVOQQFAUJQCC-UHFFFAOYSA-N 341.527 4.234 0 40 EIAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(O)c1 10891035 LFILDVJVMXWKNB-UHFFFAOYSA-N 329.355 4.164 0 40 EIAB COc1cc2c(cc1CNC1(c3ccc(Cl)cc3)CCC1)OCO2 12238611 VVAMWLFRYSNRAB-UHFFFAOYSA-N 345.826 4.246 0 40 EIAB Cc1ccc(Sc2ncccc2C(=O)NCc2ccco2)cc1C 12783418 CHGGYEFRPAJTMF-UHFFFAOYSA-N 338.432 4.373 0 40 EIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1Cl 13709766 QDIUQKOUZXEWLT-SNVBAGLBSA-N 340.206 4.408 0 40 EIAB CC(C)c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 13790734 KNHDUMYZHYMCMY-UHFFFAOYSA-N 328.437 4.390 0 40 EIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc2ncccc12 16059036 RGFMFKXRBHRSLF-VAWYXSNFSA-N 340.386 4.072 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1Cl 22389202 QDAHNURUPKENHT-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(F)c(F)c1 26128541 QHWNSGQRDSGJIM-UHFFFAOYSA-N 330.359 4.330 0 40 EIAB C[C@H](Sc1ccccc1)C(=O)Nc1nc(-c2ccc[nH]2)cs1 29351282 NNFQORPCKKJMPR-NSHDSACASA-N 329.450 4.258 0 40 EIAB Cc1ccc(C)c(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 32642813 KMEZCJIJZSWXQK-UHFFFAOYSA-N 346.434 4.099 0 40 EIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(F)c(F)c1 32754452 IYMNVDXTKBOHRE-LBPRGKRZSA-N 344.361 4.343 0 40 EIAB CN(C)C(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127177 YPAHDQCNBAOYLQ-UHFFFAOYSA-N 349.217 4.432 0 40 EIAB COCc1ccccc1NC(=O)Cc1csc(-c2ccc(C)o2)n1 44551028 DWNDHFYYLDPILN-UHFFFAOYSA-N 342.420 4.039 0 40 EIAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 44910367 GXOYKXUQJNEAOQ-CQSZACIVSA-N 337.448 4.368 0 40 EIAB Cc1cc(C(=O)N(Cc2cccs2)Cc2cccn2C)c(C)o1 49026650 JSXVENJFBSFMDH-UHFFFAOYSA-N 328.437 4.139 0 40 EIAB CCn1ccc2cc(NC(=O)CCc3c(C)noc3Cl)ccc21 51385615 VDTZEXUKYYYKBH-UHFFFAOYSA-N 331.803 4.182 0 40 EIAB CCCn1c(SCc2ccc(F)cc2)nnc1-c1ccncc1 58870594 OXMNBCUKUQYWMM-UHFFFAOYSA-N 328.416 4.182 0 40 EIAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]1CC1CCCCC1 60974998 QECIZQREOTYUDZ-QGZVFWFLSA-N 344.455 4.425 0 40 EIAB CC[C@@H](NC(=O)CCc1ccccn1)c1ccc(Br)cc1 62582222 VWOASKQYOMQXDR-MRXNPFEDSA-N 347.256 4.044 0 40 EIAB COc1ccc(C2=CCN(C(=O)Nc3cccnc3Cl)CC2)cc1 65800035 FYJZYMBWLDHOPW-UHFFFAOYSA-N 343.814 4.065 0 40 EIAB CC(=O)Nc1ccc(S[C@@H]2CCCc3ccccc3C2=O)cc1 67428585 CBXFWAYIPOJDOK-GOSISDBHSA-N 325.433 4.325 0 40 EIAB O=C(CC(F)(F)F)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69739306 JWMAVBKYQCNWJL-LLVKDONJSA-N 325.252 4.321 0 40 EIAB Cc1cc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c(C)s1 69744197 IKNRYJRLAOFBEI-NSHDSACASA-N 343.477 4.374 0 40 EIAB Cc1noc([C@@H]2CCCN(C(=S)Nc3ccc(C(C)C)cc3)C2)n1 70020101 QTGFXBSRNUIUFC-OAHLLOKOSA-N 344.484 4.078 0 40 EIAB CCc1nccn1[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 75131000 JUWWYTDPYYHIST-KRWDZBQOSA-N 349.434 4.183 0 40 EIAB COC(=O)CC(C)(C)Nc1nc(-c2cccs2)nc2ccccc12 76020906 XHPGTUUDSWIEOW-UHFFFAOYSA-N 341.436 4.112 0 40 EIAB COc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1Cl 76275473 RGRPGGWXACPBBZ-UHFFFAOYSA-N 326.179 4.312 0 40 EIAB Cc1nc(NC2CCOCC2)c2cc(-c3ccccc3)sc2n1 76871104 NAZLQTRHPKMRPY-UHFFFAOYSA-N 325.437 4.258 0 40 EIAB COc1cc(F)ccc1NC(=O)CCn1ccc2cc(Cl)ccc21 89426769 JMRWPULLQSELMN-UHFFFAOYSA-N 346.789 4.471 0 40 EIAB Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCOc2ccccc21 95431754 XVLRPJMLOASMTM-OAHLLOKOSA-N 325.408 4.329 0 40 EIAB C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ncc(C(C)(C)C)o1 96471551 PGEJWIAFAPJCSI-LLVKDONJSA-N 341.860 4.302 0 40 EIAB Cc1ccc(F)cc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 195559015 QYRVINWLSNUWNF-OAQYLSRUSA-N 325.836 4.278 0 40 EIAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1O 195752093 STVBOGCLDAPZJT-QPEQYQDCSA-N 349.308 4.302 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(F)cc3)N21 222642676 UTUDEFWKRHLGRB-DJIMGWMZSA-N 327.428 4.200 0 40 EIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCc1ccccc1 223005578 GNSIYFIDCASKQW-GOSISDBHSA-N 331.843 4.165 0 40 EIAB C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccc(Cl)cc1 223411657 XVZWAPNFTYHERE-CQSZACIVSA-N 349.883 4.157 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)cc1 223543782 JAWSDTYSFRGJPE-QGZVFWFLSA-N 349.430 4.111 0 40 EIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 225285564 YCOOOSBXVIMHOD-UHFFFAOYSA-N 339.826 4.454 0 40 EIAB CCCOC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1 225495533 MUHXXFKMQJAUQF-HNNXBMFYSA-N 326.440 4.269 0 40 EIAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2cccc(Br)c2)c1 225620224 KMFIPLDWUZFJTG-CQSZACIVSA-N 346.268 4.486 0 40 EIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2Cl)cc1 225639600 SIVWGDLVJJEIHP-ZDUSSCGKSA-N 334.872 4.402 0 40 EIAB O=C(Cc1ccccc1Cl)NCc1cncc(-c2cccs2)c1 225664084 VUMIBCVWKFFUFR-UHFFFAOYSA-N 342.851 4.322 0 40 EIAB CCc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225778047 GOGJEQYNJKPPOW-UHFFFAOYSA-N 327.384 4.159 0 40 EIAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccccc2)c1 225802670 CJIMUJCGIAGGPM-FQEVSTJZSA-N 325.452 4.285 0 40 EIAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 240886193 INQIVRNLMDHJOU-TZIWHRDSSA-N 349.434 4.117 0 40 EIAB CCOC(=O)c1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 409192759 ANVNSKXPSHZSOZ-UHFFFAOYSA-N 342.435 4.123 0 40 EIAB O=C(N1CCC2(CC1)CC2(F)F)C1(c2cccs2)CCCC1 675007942 GIOFIVIVPXTAOB-UHFFFAOYSA-N 325.424 4.208 0 40 EIAB Cc1c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)noc1C(C)(C)C 1535811534 DYUAIEGZVNYHST-UHFFFAOYSA-N 343.427 4.127 0 40 EIAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnc(O)c2ccccc12 1652530692 UVFOFNCNASNANE-GDBMZVCRSA-N 336.410 4.458 0 40 EIAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1OCC)NCC2 34585 JOQOXKMMBWYZFE-NRFANRHFSA-N 341.451 4.118 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccc(C)cc3s2)cc1 365115 LFDKICHIOKEEFW-ZDUSSCGKSA-N 326.421 4.319 0 40 EIAB Cc1ccc2nc3sc(C(=O)N4CCCC[C@@H]4C)c(N)c3cc2c1 422151 CBAMNAKGMMGNEM-LBPRGKRZSA-N 339.464 4.355 0 40 EIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(F)c2)c1 427364 IFJKGTMCDZTZCA-UHFFFAOYSA-N 341.411 4.051 0 40 EIAB Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 521647 OYFMPLLDEYKVOB-UHFFFAOYSA-N 344.349 4.427 0 40 EIAB CC(=O)N(Cc1cccnc1)Cc1cc2cc(C)ccc2nc1Cl 1367692 PFOBVHXCNPUJBI-UHFFFAOYSA-N 339.826 4.140 0 40 EIAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCCC1 3211387 ZFIGNLOEBSAXKI-DYVFJYSZSA-N 348.899 4.357 0 40 EIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 3217122 YSUMLZAQFUHZRK-AWEZNQCLSA-N 343.398 4.064 0 40 EIAB CC(C)N(C(=O)CSc1ncnc2ccccc12)c1ccccc1 3254526 AJDQHKANKCRETP-UHFFFAOYSA-N 337.448 4.164 0 40 EIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3409927 PFXKLAPVGJAACY-BJMVGYQFSA-N 348.324 4.316 0 40 EIAB O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(F)cc1 4690353 BYJRCOUZEVXWDC-UHFFFAOYSA-N 348.373 4.461 0 40 EIAB CC[C@H](O)c1ccccc1NC(=O)c1ccccc1Br 4733145 JNMQHUCDECAELN-HNNXBMFYSA-N 334.213 4.145 0 40 EIAB COc1ccc2c(c1)O[C@@H](C)C1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O 4821183 LRTUTQVESNZNCY-DRAMBROLSA-N 340.419 4.292 0 40 EIAB CC(=O)c1cccc(NC(=O)c2ncoc2-c2ccc(Cl)cc2)c1 5002039 MDTKOAUKJDSLCS-UHFFFAOYSA-N 340.766 4.450 0 40 EIAB C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 5434428 CAHSRYQWSFJFGS-GUCLMQHLSA-N 342.479 4.005 0 40 EIAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)N1CCc2ccccc21 5627188 VEDAWYFGSCAHLW-CQSZACIVSA-N 334.444 4.305 0 40 EIAB Cc1cc(=O)oc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc12 6606585 KKJSAJJFOCFGIC-UHFFFAOYSA-N 347.292 4.373 0 40 EIAB CCCn1c(NC(=O)c2ccc3ccccc3n2)nc2ccccc21 6610647 DYGJLBLTVHZWLM-UHFFFAOYSA-N 330.391 4.247 0 40 EIAB CCCCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21 7489098 USKJDHNTPGIVFW-UHFFFAOYSA-N 339.439 4.466 0 40 EIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC)c(Cl)c1 8478014 NXZSAHQWRVVABB-CQSZACIVSA-N 349.814 4.153 0 40 EIAB O=C(CSc1ccc2ccccc2c1)NC(=O)NC1CCCCC1 8855961 IRCCQGAPGYFBCW-UHFFFAOYSA-N 342.464 4.090 0 40 EIAB O=C(Nc1ccccc1F)N1CCC(CCc2ccc(O)cc2)CC1 10383222 KJWPLGIHNRFCKV-UHFFFAOYSA-N 342.414 4.408 0 40 EIAB CCOc1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)cc1 11693144 NWQHIBZNKZSTTR-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB O=C(NCCCn1cnc2ccccc21)c1cccc(Cl)c1Cl 12551571 PBDFCUACOJGMFF-UHFFFAOYSA-N 348.233 4.163 0 40 EIAB CCC(C)(C)NCC(=O)Nc1cc2oc3ccccc3c2cc1OC 12806093 UIXWWPHXAOWDDU-UHFFFAOYSA-N 340.423 4.311 0 40 EIAB O=C(O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 13166506 HGXLSGGYSLEOIK-UHFFFAOYSA-N 345.354 4.261 0 40 EIAB CCCCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 15423416 QEZQPWGHHAXZPZ-UHFFFAOYSA-N 338.451 4.118 0 40 EIAB COc1ccccc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 16740299 QMRFEJQPQXJDQM-UHFFFAOYSA-N 327.380 4.004 0 40 EIAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCc1ccccc1F 18123508 UZTASMARISZGMF-UHFFFAOYSA-N 334.394 4.169 0 40 EIAB CC(C)C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1 18131192 QXURKCDPPKSCTK-MRXNPFEDSA-N 347.256 4.361 0 40 EIAB CCCc1c(C)nc2nc(SCc3ccccc3Cl)nn2c1O 18240911 AZKLFRXPRFILDR-UHFFFAOYSA-N 348.859 4.037 0 40 EIAB c1ccc(CN2CCN([C@H]3CCCSc4ccccc43)CC2)cc1 19802136 DWOMXKJFILUXON-FQEVSTJZSA-N 338.520 4.431 0 40 EIAB CCSc1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 20491462 GMARPRQJWKCAGE-UHFFFAOYSA-N 341.885 4.394 0 40 EIAB CCSc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 22608781 SBYKUPKVMXXJOU-UHFFFAOYSA-N 333.887 4.050 0 40 EIAB Cc1cccc(OCCSCC(=O)Nc2cc(C)ccc2C)c1 23412442 VRCZNBCAKHKGNZ-UHFFFAOYSA-N 329.465 4.363 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3cccc(-c4nnco4)c3)cc2c1C 24697557 FBNDNVSGJQBSPQ-UHFFFAOYSA-N 332.363 4.087 0 40 EIAB COc1cccc2cc([C@H](C)NC(=O)c3c(F)cccc3F)oc12 25736724 SDUBITKRYHWJOU-JTQLQIEISA-N 331.318 4.211 0 40 EIAB CCOc1ccc([C@@H](C)NC(=O)CSc2ccc(OC)cc2)cc1 26051325 VIKRXSYLHKELSR-CQSZACIVSA-N 345.464 4.063 0 40 EIAB CCc1ccc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27989963 XYIAWJPTJFRIPR-UHFFFAOYSA-N 340.354 4.061 0 40 EIAB O=C(CCc1cccnc1)Nc1ccc(-c2cn3ccsc3n2)cc1 29794865 FHDLDIPFQFVIFV-UHFFFAOYSA-N 348.431 4.029 0 40 EIAB COc1ccccc1CN(C)C(=O)CCSc1ccc(Cl)cc1 30872968 JHNBAGTUBFCMCW-UHFFFAOYSA-N 349.883 4.489 0 40 EIAB Cc1ccc(SCCC(=O)Nc2nnc(C3CC3)s2)cc1C 32674343 OTAFKHYWPOGZGW-UHFFFAOYSA-N 333.482 4.153 0 40 EIAB Cc1ccc(OCC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1C 33213950 OTXFZXJMPHQNSR-UHFFFAOYSA-N 336.391 4.340 0 40 EIAB C/C=C/[C@@H]1[C@@H](C(=O)OCc2c(F)c(F)c(C)c(F)c2F)C1(C)C 35930128 AGMMRUPNXPWLGF-PVTPVBHGSA-N 330.321 4.443 0 40 EIAB in-man CCCC(=O)Nc1cc(NC(=O)c2ccc(OC)cc2)ccc1Cl 36365314 RRSBCFVWZRDJBK-UHFFFAOYSA-N 346.814 4.340 0 40 EIAB Cc1nn2c(C(=O)O)cc(-c3cccs3)nc2c1-c1ccccc1 36615704 WEFROPSJKFVVLV-UHFFFAOYSA-N 335.388 4.131 0 40 EIAB COc1ccc([C@H]2CCN(C(=O)Nc3cccc(Cl)c3)C2)cc1 38566795 WZRBLWJZMWJTQU-AWEZNQCLSA-N 330.815 4.370 0 40 EIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 38755820 JUXPMVQAVSPBEO-WRUMOOJNSA-N 327.468 4.237 0 40 EIAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc2cccnc12 46509218 UJKSUMGJNBIDPI-SFHVURJKSA-N 348.402 4.045 0 40 EIAB COc1ccc(OCCNC(=O)c2ccccc2SC(C)C)cc1 52167478 CPEIEKACAMRCTQ-UHFFFAOYSA-N 345.464 4.005 0 40 EIAB CONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@@H](C)C2 53720382 JAVVRQBSVAHONH-NXXVSJRMSA-N 348.402 4.242 0 40 EIAB CCCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 58003963 VOEHMDMEAUJKIX-UHFFFAOYSA-N 336.844 4.136 0 40 EIAB CC(C)(C)c1ncc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cn1 58412278 RLWVQUWDIPEAJO-ZIAGYGMSSA-N 329.831 4.170 0 40 EIAB COc1c(CNCc2cc3ccccc3s2)c(C(C)C)nn1C 65479726 IZISOZMOJJXWAR-UHFFFAOYSA-N 329.469 4.057 0 40 EIAB O=C(Nc1c[nH]ccc1=O)c1cc2sc3ccccc3c2s1 65521325 GZXITGGEYFEOOV-UHFFFAOYSA-N 326.402 4.057 0 40 EIAB O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccsc1 69558934 GWSCWLQXNSDNBF-UHFFFAOYSA-N 348.855 4.280 0 40 EIAB Cc1cc(C)c(-c2nnc(S[C@@H](C)c3nnc(C)o3)o2)c(C)c1 69581372 GBGGQLPPTICPEI-NSHDSACASA-N 330.413 4.207 0 40 EIAB Cc1cccc([C@H]2C[C@H]2C(=O)N(Cc2cccnc2)Cc2ccco2)c1 69652843 HNZXMRABPJUPER-NHCUHLMSSA-N 346.430 4.316 0 40 EIAB Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1C 71835007 YTOPHZKBPRXTJH-RBUKOAKNSA-N 339.435 4.070 0 40 EIAB COc1cccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 72238569 YWLGOXJNRUBFNF-UHFFFAOYSA-N 343.766 4.016 0 40 EIAB CC(=O)Nc1cc(NC(=O)Nc2ccc(Cl)cc2F)ccc1C 72282499 OVQOZOKCKGNZQW-UHFFFAOYSA-N 335.766 4.390 0 40 EIAB CC[C@@H]1CN(C(=O)c2oc(-c3ccccc3)nc2C)c2ccccc2O1 74065400 YYSQNLLPAKELDG-MRXNPFEDSA-N 348.402 4.468 0 40 EIAB Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c(C)n1-c1cccnc1 89580082 YNTOZLWICJMPAI-IBGZPJMESA-N 345.446 4.119 0 40 EIAB c1ccc(-n2cc(CNc3cccc(CCN4CCCC4)c3)cn2)cc1 94014844 YKIXGAJVJWSTTF-UHFFFAOYSA-N 346.478 4.123 0 40 EIAB COC(=O)Nc1ccc(CN[C@H](CC(C)C)c2ccccn2)cc1 95420435 QKIFAWFYLPPEEI-GOSISDBHSA-N 327.428 4.137 0 40 EIAB C[C@@H]1C[C@H](OC[C@H](O)CNC(C)(C)CC(C)(C)C)CC(C)(C)C1 95532675 ZCGOSUPULPBKSS-ZACQAIPSSA-N 327.553 4.383 0 40 EIAB CC(C)n1cc(/C=C/c2cc(C(=O)O)c3ccc(F)cc3n2)cn1 95958511 VRQZZHPAAJWQEL-HWKANZROSA-N 325.343 4.020 0 40 EIAB CN(Cc1cnccn1)C(=O)Nc1ccc(SC(C)(C)C)cc1 96410629 JFPSWWBMRZYLDB-UHFFFAOYSA-N 330.457 4.031 0 40 EIAB O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cccnc1 97049567 ZKALWAYNAXSKNJ-UHFFFAOYSA-N 342.358 4.069 0 40 EIAB NN[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 199533945 MUYYDGNFGCGJOH-CYBMUJFWSA-N 334.263 4.277 0 40 EIAB CCOc1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219849440 CVKJGPNDLWRQJY-UHFFFAOYSA-N 338.451 4.249 0 40 EIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 223252386 INTKKPMXBXAUAS-DLBZAZTESA-N 341.451 4.265 0 40 EIAB Cc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)c(C)c1 224699908 UGZIHOCWPYPSQI-UHFFFAOYSA-N 336.479 4.219 0 40 EIAB Nc1cc(C(=O)NC2CC2)ccc1Nc1cc(Cl)cc(Cl)c1 225428794 LCLUPMMYRDMRKI-UHFFFAOYSA-N 336.222 4.211 0 40 EIAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 253370028 LCSQDVGQLONUGF-PWRODBHTSA-N 328.415 4.091 0 40 EIAB Cc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)s1 409004886 BZQNLPZFCMGJGR-PTNGSMBKSA-N 329.446 4.336 0 40 EIAB Cn1cc(C(=O)NCCC2=CCCCC2)c(-c2ccccc2Cl)n1 521262059 FDZYJFMKHIFWFR-UHFFFAOYSA-N 343.858 4.361 0 40 EIAB Cc1ccc2nccc(N3CC[C@@H](c4ccccc4)[C@@H](CO)C3)c2c1 585082747 XCVCHJUVCOKJII-MOPGFXCFSA-N 332.447 4.146 0 40 EIAB C[C@@H](O)c1cnc(CNC2(c3cccc(Cl)c3)CCCC2)s1 1614997956 FLDLIYJJJKFIII-GFCCVEGCSA-N 336.888 4.409 0 40 EIAB C[C@H](CN[C@H](CCC(F)(F)F)c1cccnc1)c1nccs1 1615571831 PLMJJJHVWODZFK-DGCLKSJQSA-N 329.391 4.315 0 40 EIAB C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 355335 NHSJKBWBXNSWLY-WFASDCNBSA-N 338.289 4.323 0 40 EIAB CC(=O)N(Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 411089 MDYSBYXWHLENQW-UHFFFAOYSA-N 348.446 4.002 0 40 EIAB CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccc(F)cc1 498489 HWRNVIOEEWDKGS-UHFFFAOYSA-N 344.363 4.436 0 40 EIAB COc1ccc(C(=O)[C@@H](C)C(C)=N)c(OCc2ccccc2)c1OC 1699620 GKQGFVVZPBBXNM-ZDUSSCGKSA-N 341.407 4.141 0 40 EIAB CC(C)CC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 2306237 MRYJNXLXQXZWQO-QWHCGFSZSA-N 325.836 4.442 0 40 EIAB CCOc1ccc2c(c1)[C@H](SCC(=O)O)CC1(CCCCC1)O2 2944861 KDGKBABKPKPYHD-MRXNPFEDSA-N 336.453 4.430 0 40 EIAB O=C(COC(=O)c1cccs1)Nc1ccccc1-c1ccccc1 3338458 SGMDDBAKDMZOKQ-UHFFFAOYSA-N 337.400 4.211 0 40 EIAB Cc1ccccc1CSc1ccc2nnc(-c3cccs3)n2n1 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O=C(NCc1ccccc1CN1CCCC1)c1ccc(Cl)cc1F 8013023 ATUBOKZFGVMCDI-UHFFFAOYSA-N 346.833 4.005 0 40 EIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccccc1 8181660 FJHHDWGKIRSIRG-STQMWFEESA-N 348.240 4.094 0 40 EIAB O=C(Nn1cnc2ccccc21)c1cccc(Oc2ccccc2)c1 8393598 PGSHANFXOGYGIT-UHFFFAOYSA-N 329.359 4.213 0 40 EIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)cc3C)ccc21 9107197 XVWYVAYBWBUVRW-UHFFFAOYSA-N 336.435 4.245 0 40 EIAB CC(C)C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135300 IPQBUVHKGLTAAJ-UHFFFAOYSA-N 330.771 4.293 0 40 EIAB CCOC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1 10914196 QBYXFXWNYLIYPQ-UHFFFAOYSA-N 335.363 4.056 0 40 EIAB O=C(NCc1ccc(OC(F)F)cc1)c1cc(F)c(F)cc1Cl 11511400 FIKJIKJIEWXGKA-UHFFFAOYSA-N 347.695 4.150 0 40 EIAB C[C@H](c1ccccc1)n1c(CNC(=O)c2ccco2)nc2ccccc21 12062233 AQIKFTKFINFKLX-OAHLLOKOSA-N 345.402 4.169 0 40 EIAB O[C@H](CN1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421957 ACMRDSJKTZGCFH-OAHLLOKOSA-N 346.902 4.020 0 40 EIAB O=c1c2ccccc2nc(SCc2ccccn2)n1C1CCCC1 12724515 AUXPODYGCAIFOZ-UHFFFAOYSA-N 337.448 4.199 0 40 EIAB COc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC 12883630 GNAOWUIHEUQVBU-ZDUSSCGKSA-N 339.391 4.283 0 40 EIAB C[C@H](NC(=O)CSCCOc1ccc(Cl)cc1)c1ccccc1 13002639 CMXMEPMJRIJAPU-AWEZNQCLSA-N 349.883 4.329 0 40 EIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nccs1 13689415 JPRVVIJRWKZZIQ-UHFFFAOYSA-N 335.841 4.481 0 40 EIAB O=C(NCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1F 14163220 WLDZQFGEQQCZOC-UHFFFAOYSA-N 345.374 4.410 0 40 EIAB O=C(COc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccco1 14180968 SHVDGCRQDXIXOI-UHFFFAOYSA-N 339.366 4.027 0 40 EIAB CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1OC 15412633 IWONOLFSMHCVMS-UHFFFAOYSA-N 335.787 4.008 0 40 EIAB C[C@H](CNC(=O)c1cccnc1Oc1ccccc1)c1ccccc1 15534191 WRFUASCGLVKXLC-MRXNPFEDSA-N 332.403 4.407 0 40 EIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1 21523967 WUCLQPRGTWDJGL-UHFFFAOYSA-N 333.800 4.023 0 40 EIAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)cc(Cl)c1 22389205 FOFGXWDWSSQRGR-UHFFFAOYSA-N 336.222 4.241 0 40 EIAB COc1ccc([C@@H](NC(=O)c2cn(C)c3ccccc23)C(C)C)cc1 25157957 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COc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 44884149 USNUOHRFINZUGJ-UHFFFAOYSA-N 335.856 4.099 0 40 EIAB CC(=O)N1CC=C(c2ccc(Oc3nc4ccccc4o3)cc2)CC1 48230653 CAEKBZATASAPMM-UHFFFAOYSA-N 334.375 4.256 0 40 EIAB Cc1cccnc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 56407986 APKRGFYXKOYKER-UHFFFAOYSA-N 347.205 4.135 0 40 EIAB Cc1cc(C(=O)N(C)C2CCN(C)CC2)sc1-c1ccc(F)cc1 69568704 JTJZGFKNXIQMBL-UHFFFAOYSA-N 346.471 4.029 0 40 EIAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cs2)o1 71843909 FQJADZHOEKPQRK-SNVBAGLBSA-N 344.358 4.126 0 40 EIAB CO[C@H](C)c1nc(CNC2(c3nc(C)cs3)CCCC2)cs1 83225676 FCDMQZRDTSGRFW-GFCCVEGCSA-N 337.514 4.175 0 40 EIAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(Br)sc21 85389952 RRXZRPFPKDQJOS-QMMMGPOBSA-N 342.645 4.472 0 40 EIAB O=Cc1ccc(OCc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1 89262936 TYHDJKOUEFGASB-UHFFFAOYSA-N 349.173 4.435 0 40 EIAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 95116835 PAVFRZGBCMYLBL-GOSISDBHSA-N 334.350 4.410 0 40 EIAB COc1ccc([C@H](NCc2c(C)noc2C)c2ccc(C)cc2)cc1 95955439 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EIAB CCN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 409130624 WVICTZFEZZIPKG-SXGWCWSVSA-N 328.437 4.354 0 40 EIAB COc1cccc2cc([C@H](C)NCC3([C@@H](C)CCO)CCC3)oc12 539509309 IKHDUYSMOQTGGB-GJZGRUSLSA-N 331.456 4.281 0 40 EIAB CC1(C)CN(Cc2csc([C@H]3CCCO3)n2)Cc2ccccc2O1 585083862 DTJFRXMMMGHEMT-QGZVFWFLSA-N 344.480 4.168 0 40 EIAB O=C(Nc1ccc(Br)cn1)c1ccc(Cl)c(Cl)c1 66664 ZOTLNCONSVHCOH-UHFFFAOYSA-N 346.011 4.403 0 40 EIAB CC(=O)c1c(N2CCCC2)nc(=S)n(-c2cc(C)ccc2C)c1C 112137 GBJRJEJKWFJWSA-UHFFFAOYSA-N 341.480 4.330 0 40 EIAB NC(=O)c1cc2ccccc2o/c1=N\c1ccc(-c2ccccc2)cc1 195544 LNNZHDKJOKVLFN-GYHWCHFESA-N 340.382 4.431 0 40 EIAB O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1c1nccs1 1438817 XKCPCVSOGFTJJI-NSHDSACASA-N 331.249 4.229 0 40 EIAB CCOC(=O)c1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 1565273 OLIFTJJUOXIUJG-UHFFFAOYSA-N 341.392 4.117 0 40 EIAB CCOC(=O)CCCCCCC(=O)c1ccccc1CN1CC=CC1 2516311 SQQXLXVGBLOOGL-UHFFFAOYSA-N 343.467 4.145 0 40 EIAB CC[C@H]1CCCCN1Cn1nc2c(Cl)cc(Cl)cn2c1=S 3369210 AOGZVYGQJQUGRR-NSHDSACASA-N 345.299 4.394 0 40 EIAB COc1cc(CNCC(C)C)ccc1OCc1ccc(Cl)nc1 5266015 IYUSIXKUMSYQOW-UHFFFAOYSA-N 334.847 4.068 0 40 EIAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccc2c(c1)CCC2 5398853 AEHZZXXLLZPLRB-CQSZACIVSA-N 347.414 4.014 0 40 EIAB CCC[C@H](C)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 6274338 HWJJMFUEYUSHGQ-VIFPVBQESA-N 341.839 4.415 0 40 EIAB CC(C)(C)c1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 6363955 NDCXSNQOLWCRPZ-MHWRWJLKSA-N 349.386 4.057 0 40 EIAB Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 6478635 YMZBERNZWJUGHH-UHFFFAOYSA-N 338.388 4.100 0 40 EIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 6586872 IWNWNTJRKVHOQA-XXWNAHEMSA-N 347.886 4.440 0 40 EIAB COc1ccc(-c2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 6754966 GIGXZWPZGJKBNY-UHFFFAOYSA-N 349.438 4.027 0 40 EIAB CCCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 6879923 AIYLLMGMJGINJX-UHFFFAOYSA-N 328.195 4.305 0 40 EIAB Cc1ccccc1OCCSc1nnc(-c2ccccc2F)n1C 7235660 NDZNLXVPODLTPB-UHFFFAOYSA-N 343.427 4.101 0 40 EIAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C)CC2)c1 7389230 OQJOQZWNMSSFRB-FQEVSTJZSA-N 338.451 4.107 0 40 EIAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 8108600 SOIZXXKZEWRCSI-HNNXBMFYSA-N 325.408 4.419 0 40 EIAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc3ccccc3c2)c1 8356097 JBOJBCXJMCZKMB-OAHLLOKOSA-N 349.430 4.277 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl 8560786 QKALGAFURWKTJC-UHFFFAOYSA-N 331.799 4.466 0 40 EIAB O=C(NC(=S)Nc1ccccn1)c1cccc2c(Cl)cccc12 9064076 LCYMBNNJEOKWPW-UHFFFAOYSA-N 341.823 4.015 0 40 EIAB Cc1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCC2=O 10197753 LZKLCPKTMDZDOP-UHFFFAOYSA-N 337.419 4.265 0 40 EIAB O=C(Nc1cc(F)cc(F)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 10323530 MCPYXWQKXWAYIP-UHFFFAOYSA-N 349.337 4.204 0 40 EIAB C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 10573084 OFGGPPSJVUVTSR-BQBZGAKWSA-N 343.271 4.229 0 40 EIAB Cc1cc(C(=O)N[C@H](C)c2ccccc2C)c2cnn(C(C)C)c2n1 10965731 ORSCFYNXPUWSFN-OAHLLOKOSA-N 336.439 4.120 0 40 EIAB COc1cc(SC)ccc1C(=O)N[C@H](c1ccccc1)C1CC1 11204792 KWSGQIQRFKVBLG-GOSISDBHSA-N 327.449 4.298 0 40 EIAB CCCN(CCC)S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 11566458 XGVXMKSJZQJKCT-UHFFFAOYSA-N 344.691 4.458 0 40 EIAB Cc1c(C)n(C[C@@H](O)CN2CCCCCC2)c2c(Cl)cccc12 12421934 MIAUFAILCWBVSD-INIZCTEOSA-N 334.891 4.148 0 40 EIAB CCc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 12579057 NALLTRHGAJVNCY-UHFFFAOYSA-N 335.860 4.204 0 40 EIAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccco1 12883117 KQWVDAXMCLDHDD-ZENHMJIWSA-N 329.399 4.307 0 40 EIAB CCCc1n[nH]c(SCC(=O)c2ccc(Cl)c(Cl)c2)n1 12949554 NGAKLOPSFCRMJN-UHFFFAOYSA-N 330.240 4.039 0 40 EIAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)c2c1CCC2 12995343 LZDDLXGKYPCHJL-UHFFFAOYSA-N 337.810 4.267 0 40 EIAB Cc1ccc(CNC(=O)N(C)Cc2nc3ccccc3s2)cc1F 14122729 GAODXROHHULPCF-UHFFFAOYSA-N 343.427 4.085 0 40 EIAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N1CCC[C@@H](C)C1 14186435 GPCPYXWKQMVFMV-NEPJUHHUSA-N 343.452 4.038 0 40 EIAB O=c1c2cc(Cl)cc(Cl)c2ncn1C/C=C/c1ccccc1 14677091 WFIUWIPKDUSRSB-QPJJXVBHSA-N 331.202 4.417 0 40 EIAB COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC 14760159 ZANBLNRUVUOABN-GJZGRUSLSA-N 342.435 4.490 0 40 EIAB biogenic,in-vitro COc1ccccc1NC(=O)Cc1sc(C)nc1-c1cccs1 15840178 FRZKIGJFTXGINP-UHFFFAOYSA-N 344.461 4.370 0 40 EIAB Cc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)n1 19236345 UORYRQABJCOVIJ-INIZCTEOSA-N 329.494 4.290 0 40 EIAB CCn1c(C(C)C)nc2cc(NC(=O)CC[C@H]3CCCO3)ccc21 19524247 DCNLJEOSKHTLPD-OAHLLOKOSA-N 329.444 4.077 0 40 EIAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19565658 LKLCXKZIKBLJRJ-INIZCTEOSA-N 330.478 4.287 0 40 EIAB CCOc1ccc(CNc2ccc(Br)cc2)cc1OC 20090285 AQVPYNZXHYXWTL-UHFFFAOYSA-N 336.229 4.469 0 40 EIAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 20141882 LRRSAWVSYILITL-NSHDSACASA-N 347.798 4.468 0 40 EIAB O=C(Nc1ccc(F)cc1Br)c1cc(F)cc(F)c1 20430132 HNDAXRVWQMDIOI-UHFFFAOYSA-N 330.103 4.119 0 40 EIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 20459549 QVBINWXFJXBUMS-INIZCTEOSA-N 349.430 4.322 0 40 EIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 22511801 VLDZTQYCTQSICO-IBGZPJMESA-N 339.479 4.437 0 40 EIAB CCCc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 25454274 PDHXGELIIZRZMV-UHFFFAOYSA-N 349.418 4.039 0 40 EIAB C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccn1 28782435 DAQYWJBWNNZCID-CYBMUJFWSA-N 344.505 4.441 0 40 EIAB CCc1nnc(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)s1 30604797 DJNWQARXVSVKGI-UHFFFAOYSA-N 340.452 4.103 0 40 EIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc2ccccc2c1 30853094 YCAZZDZMANZKBK-MRXNPFEDSA-N 349.430 4.274 0 40 EIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc2ncccc12 32903510 FZZIZXLUWUVXTE-FQEVSTJZSA-N 333.435 4.331 0 40 EIAB O=C1/C(=C\c2c(F)cccc2Cl)N=C(S)N1c1ccccc1 33316344 YJTDRLFZQQMCQW-NTEUORMPSA-N 332.787 4.153 0 40 EIAB CCCCCC(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36359787 JPPCQNYSHLQKDN-UHFFFAOYSA-N 325.368 4.114 0 40 EIAB O=C(O)c1cn(-c2ccccc2)c2c1N=C(O)C[C@H]2c1ccc(O)cc1 40312595 AYATVPRLCRTHPB-HNNXBMFYSA-N 348.358 4.005 0 40 EIAB biogenic O=C1OC(c2ccc(Cl)cc2)=N/C1=C1/Nc2ccccc2S1 41154886 WABUZODQJQIJMX-SQFISAMPSA-N 328.780 4.030 0 40 EIAB Cc1cccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC2(C)C)c1 45933106 LGWOLRMLSFBYJU-UHFFFAOYSA-N 340.423 4.143 0 40 EIAB CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1-n1cccn1 48152529 AZGQLASRHJVMLO-UHFFFAOYSA-N 340.814 4.190 0 40 EIAB COC(=O)c1c(Br)c2ccccc2n1-c1ccccc1 57347405 SKKXCRNUBTZKPM-UHFFFAOYSA-N 330.181 4.180 0 40 EIAB C[C@@H]1CN(C(=O)c2cccc3ccccc23)C[C@H](c2ccccc2)O1 58427117 SLOUOPQKWSRCJR-IIBYNOLFSA-N 331.415 4.442 0 40 EIAB c1ccc(COc2ccc(CN[C@@H]3CCOc4ccccc43)cc2)nc1 67967220 OEEYIOAODUNJEF-OAQYLSRUSA-N 346.430 4.274 0 40 EIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccsc1 69456556 RLMYETOOFXRFDJ-UHFFFAOYSA-N 327.434 4.250 0 40 EIAB O=C(COc1ccccc1-c1ccccc1)OCCCc1cccnc1 70691592 ZDWNDQKLKCYENF-UHFFFAOYSA-N 347.414 4.303 0 40 EIAB Cc1cc(CC(=O)N2CCCC[C@H]2c2nc(C(C)(C)C)cs2)no1 72298591 KNWACMQKHBFTHB-AWEZNQCLSA-N 347.484 4.033 0 40 EIAB Cc1cc(NC(=O)N(C)C2CCCCCC2)n(Cc2ccccc2)n1 89594265 XUYYZAHRMAFPSA-UHFFFAOYSA-N 340.471 4.426 0 40 EIAB COCc1nc(CNc2cccc(-c3csc(C)n3)c2)cs1 89712656 PRCNGOAESCUIMC-UHFFFAOYSA-N 331.466 4.334 0 40 EIAB COc1ccccc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 92868528 PHVMJQCNJLRFHF-INIZCTEOSA-N 342.443 4.184 0 40 EIAB Cc1cc(NC(=O)c2ccc(-c3cnco3)cc2)c2ccccc2n1 95953090 VYHWDJWIGKSULZ-UHFFFAOYSA-N 329.359 4.451 0 40 EIAB Cc1cc(C)c2cccc(N/C=C3/N=C(c4ccccc4)OC3=O)c2n1 100147184 KOJIJRPYYRLXRB-LDADJPATSA-N 343.386 4.109 0 40 EIAB COc1ccc2cc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)[nH]c2c1 101345381 HRRXLTIACAATCR-VLIAUNLRSA-N 326.440 4.217 0 40 EIAB C[C@@H]1Cc2c(Br)c3c(c(Br)c2C1=O)CCC3 165460436 CAYJMWJFJUXZDR-ZCFIWIBFSA-N 344.046 4.075 0 40 EIAB CC(C)(C)c1ccc(-c2nc3cc(C(N)=O)cc(Cl)c3[nH]2)cc1 216922919 HECARVHRZVRTCJ-UHFFFAOYSA-N 327.815 4.280 0 40 EIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccccc2OC)cc1 223285112 VFNLTXJZGKTUJJ-KXBFYZLASA-N 341.451 4.292 0 40 EIAB Cc1cccc(OCCNC(=O)C2(c3ccccc3)CCCC2)c1C 223968664 MMRAASYUUHPJRO-UHFFFAOYSA-N 337.463 4.310 0 40 EIAB COc1ccc(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1Cl 224062176 BZUJZXZUQIBTHW-CQSZACIVSA-N 347.842 4.163 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 224543013 YJHUHPNDSXEUQP-UHFFFAOYSA-N 325.408 4.051 0 40 EIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 225119633 RXKXCEZYWCIUGT-CRAIPNDOSA-N 341.451 4.292 0 40 EIAB CCN(CC)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225151015 BPWXDVNOXXBAEA-KRWDZBQOSA-N 347.842 4.470 0 40 EIAB CC[C@@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(OC)c(C)c1 225630011 GPTSAHQBKPAJLB-LJQANCHMSA-N 325.452 4.430 0 40 EIAB CSc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1 225754797 RTVFLOBNCGNLPR-UHFFFAOYSA-N 340.473 4.462 0 40 EIAB Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)O)[C@@H](C)c1ccccc1 49607 FKGMRMZWDUIXMG-WFASDCNBSA-N 345.826 4.482 0 40 EIAB CCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccccc1-2 86236 YUFPTFHRNMWWQN-AWEZNQCLSA-N 342.449 4.215 0 40 EIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c(OC)c1 147349 FRNHBZYTWQNAJJ-CSKARUKUSA-N 331.799 4.318 0 40 EIAB Cc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1C 573713 NKNFTOJMLBJZOT-UHFFFAOYSA-N 346.430 4.490 0 40 EIAB COc1ccc(OC)c([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1 818092 WDPAWIROLZAUGQ-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)c1 1369696 OUDSDUSDOYPVJM-RTBURBONSA-N 343.540 4.138 0 40 EIAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)OCc1ccccc1 1642787 KXFJNORVYOZHLI-SFHVURJKSA-N 327.424 4.297 0 40 EIAB COc1ccc([C@H](CCNC(=O)[C@H]2CCOC(C)(C)C2)C(C)C)cc1 2148423 BNSRXZJARXDPQG-PKOBYXMFSA-N 347.499 4.146 0 40 EIAB biogenic CC(C)Oc1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1 2714030 SFTWKWIZGFFUKP-UHFFFAOYSA-N 330.384 4.475 0 40 EIAB CC(C)NC[C@@H](COc1cccc2ccccc12)OC(=O)C(C)(C)C 3118616 SLLKYDIVPRYTBW-KRWDZBQOSA-N 343.467 4.175 0 40 EIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccccc1Cl 4275892 KOZQWVZTBPMSJD-UHFFFAOYSA-N 334.162 4.296 0 40 EIAB Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1Cl 4320738 ZCMCCAUSIVNJAR-OAHLLOKOSA-N 346.839 4.090 0 40 EIAB Cn1c(-c2ccccc2)cnc1NCc1ccc(Br)cc1 4678593 TUVSNKXBKXZVOD-UHFFFAOYSA-N 342.240 4.462 0 40 EIAB C/C=C/c1ccc(OCC(=O)NCc2ccccc2Cl)c(OC)c1 5440367 SYEUDLNHPRMUGD-ZZXKWVIFSA-N 345.826 4.077 0 40 EIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1Cl 5446800 PLCBAAFOBRUHFI-LPHOPBHVSA-N 340.854 4.097 0 40 EIAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)c1 5573422 DRUKLBCNDJWPJX-UHFFFAOYSA-N 335.407 4.233 0 40 EIAB CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(C)cc1 5643166 UEZUJIKAUISELV-BLLLJJGKSA-N 345.468 4.033 0 40 EIAB CC(=O)c1cc(C[C@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 5713066 XWTNIBVQFQJNHH-FQEVSTJZSA-N 344.454 4.464 0 40 EIAB Cc1c(Cl)cccc1NC(=O)COc1cccc2c1OC(C)(C)C2 6215899 PYIBKGKGGKZTCP-UHFFFAOYSA-N 345.826 4.379 0 40 EIAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)c3c[nH]c4ccccc34)ccc12 6421304 YSILZAYCOMKFEO-CYBMUJFWSA-N 347.370 4.233 0 40 EIAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1CCC1 6639076 RJHFIULKBUSMIQ-HXUWFJFHSA-N 333.387 4.435 0 40 EIAB COc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 7067374 ILJWGWACDWBAOM-UHFFFAOYSA-N 327.767 4.159 0 40 EIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(F)c1 7917728 UZFJBHJVLLRNNN-UHFFFAOYSA-N 343.789 4.285 0 40 EIAB Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)c(C)c1 8041749 UXNGJKLAONEISB-INIZCTEOSA-N 335.513 4.253 0 40 EIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1F 8403267 RTJPWYPIOSXDHU-LBPRGKRZSA-N 328.362 4.256 0 40 EIAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2)s1 11905898 MRMXONVCSIVOAN-UHFFFAOYSA-N 328.462 4.039 0 40 EIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1 11915457 UNDMAZFEJZMDAI-CYBMUJFWSA-N 342.439 4.249 0 40 EIAB O=C(Nc1ccccc1SCc1ccsc1)c1cnccn1 12873762 SAUFUDVJRDAQAM-UHFFFAOYSA-N 327.434 4.083 0 40 EIAB Cc1ccccc1[C@H](C)NC(=O)CN(C)Cc1ccc2ccccc2c1 12914618 LQOUKCWROJXBQF-SFHVURJKSA-N 346.474 4.457 0 40 EIAB COc1ccc(CN(C)C(=O)c2oc3ccccc3c2C)cc1F 12993073 CIGMDQVONNHZHR-UHFFFAOYSA-N 327.355 4.161 0 40 EIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(Cl)c(Cl)c1 13265229 QMOOQOPCUWJKBH-YVEFUNNKSA-N 334.250 4.354 0 40 EIAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 13631840 FDDPRMWUPUWHOW-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB O=C(NCCc1cccs1)c1cc(-c2ccc(Cl)cc2)on1 14238041 QNXGJNINZGAXJU-UHFFFAOYSA-N 332.812 4.029 0 40 EIAB COc1ccc2c(CC(=O)N[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)coc2c1 16045043 CXHLUZYNQNTTFT-DHUIEDIVSA-N 341.451 4.315 0 40 EIAB Cc1ccc([C@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 16088282 ZLPVKKDHZDNWCK-HXUWFJFHSA-N 337.444 4.063 0 40 EIAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)c(C)c1 16284737 GPSMMAZXACDCRS-UHFFFAOYSA-N 345.402 4.203 0 40 EIAB CCCc1cc(C(=O)NCCc2c[nH]c3ccccc23)sc1C 17295212 AUWWMYNEAHBMJI-UHFFFAOYSA-N 326.465 4.463 0 40 EIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 21836663 IODCVGYSZQVVMD-FZKQIMNGSA-N 347.842 4.383 0 40 EIAB O=C(NCCc1ccccc1)c1ccccc1COc1ccccc1 22836382 ZSIOJAPYPKCSTG-UHFFFAOYSA-N 331.415 4.238 0 40 EIAB Cc1ccc(CCC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 25014109 AUQSHUZDZVWWKX-UHFFFAOYSA-N 333.435 4.369 0 40 EIAB Cc1ccsc1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 32609697 FUAIQRIYYRTXSC-UHFFFAOYSA-N 349.818 4.346 0 40 EIAB CCC(C)(C)NC(=O)Cc1c(C)[nH]c2ccc(Br)cc12 32967748 VJXFKGMJKTZUOG-UHFFFAOYSA-N 337.261 4.086 0 40 EIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1C 36620501 WSSNWPMTIGNULX-GOSISDBHSA-N 347.455 4.277 0 40 EIAB CN(C)[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccsc1 38673308 ACOSDVGQGJRCLJ-OAHLLOKOSA-N 348.537 4.041 0 40 EIAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cccn1C 39978524 FKQASFLRMBUDNU-UHFFFAOYSA-N 336.435 4.239 0 40 EIAB O=C(COc1ccc(F)cc1)N(Cc1ccco1)c1ccccc1 40010028 AVQNQPCXRAVVTC-UHFFFAOYSA-N 325.339 4.031 0 40 EIAB Cc1cc(OS(=O)(=O)c2ccc(C)c(C)c2C)c2ccccc2n1 41097159 OPUGSUCBIVOXHZ-UHFFFAOYSA-N 341.432 4.236 0 40 EIAB COc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44837979 IZBINRIWFJCBTO-UHFFFAOYSA-N 343.386 4.491 0 40 EIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(C)cc1 44935908 BSCZPDQUBCUULQ-NRFANRHFSA-N 347.462 4.429 0 40 EIAB C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1 48149914 FNEKRERKHZWUEL-NSHDSACASA-N 346.843 4.470 0 40 EIAB CC(C)(C)OC(=O)Nc1cc(NC(=O)CC(F)(F)F)ccc1F 58230673 VLLSFZCXXJGMFB-UHFFFAOYSA-N 336.285 4.064 0 40 EIAB Cc1nc2ccccc2nc1NCc1cccc(OC[C@@H]2CCCO2)c1 58356546 XONJPVMGLGUISW-SFHVURJKSA-N 349.434 4.108 0 40 EIAB COc1ccc(Cl)cc1-c1nn2c(-c3ccsc3)nnc2s1 66087709 QRAFSTLAWYQNMN-UHFFFAOYSA-N 348.840 4.243 0 40 EIAB CC(C)Cc1nnc([C@@H](C)Sc2ccc3c(c2)OCCCO3)o1 69846968 AFEDDNFCBDLFIT-GFCCVEGCSA-N 334.441 4.283 0 40 EIAB CC(C)COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cn1 79049895 KJGTXWIWHNUKGJ-LPHOPBHVSA-N 338.451 4.135 0 40 EIAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1ccc(-n2cccn2)cc1 84660659 VKELPJQDFXQNSZ-LFVRLGFBSA-N 328.412 4.021 0 40 EIAB Cc1ocnc1CNC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 96491766 OQXOLJHSENHFOV-OAHLLOKOSA-N 349.434 4.003 0 40 EIAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 100809341 GJARMCQNWKHIMO-GASCZTMLSA-N 338.879 4.266 0 40 EIAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102589686 IDEVMAGTJKNEKJ-INIZCTEOSA-N 344.365 4.172 0 40 EIAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H](C)Sc1ccccc1 106715408 GNQFJXCUAPMICF-OAHLLOKOSA-N 337.448 4.300 0 40 EIAB O=C(NC1CCCCC1)[C@@H]1CCCN([C@@H]2CCCc3ccccc32)C1 106865707 BQAPKQILMDHOEJ-WIYYLYMNSA-N 340.511 4.225 0 40 EIAB CCCC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 107799852 DRJCYWUBIFGEQC-HOTGVXAUSA-N 340.467 4.414 0 40 EIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118914888 XNJOZXWLEFEFEX-JZEPMIPJSA-N 334.500 4.133 0 40 EIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 218971075 SXTPKXVVMNIDQB-OAHLLOKOSA-N 331.843 4.165 0 40 EIAB COc1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222605336 BWRVVEITFHBPLB-UHFFFAOYSA-N 339.782 4.058 0 40 EIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(OC)ccc1OC 222945951 DOLQOUBLVBEAQX-QGZVFWFLSA-N 343.423 4.117 0 40 EIAB Cc1ccc(CC(=O)NCCOc2cccc3ccccc23)c(C)c1 223573186 FLYRFJDPRYDKBX-UHFFFAOYSA-N 333.431 4.194 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 224065143 OGCYKRVACNUIGS-GFCCVEGCSA-N 326.783 4.486 0 40 EIAB Cc1ccc(/C=C/C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224647333 GSOVIYSDNVTSKO-OUKQBFOZSA-N 348.490 4.311 0 40 EIAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(Cl)s1 225644560 PGROUZPWIPVIIT-UHFFFAOYSA-N 334.853 4.455 0 40 EIAB COc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 225833584 XDRLBNIGFQOGQK-UHFFFAOYSA-N 341.451 4.153 0 40 EIAB CCCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(OC)c1 226352743 UDDKQANBBZZITN-UHFFFAOYSA-N 331.368 4.172 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1 257269475 MQCYYIJZMZJAPU-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cccc2ccccc12 390829551 FEOWZBIBVYGWRZ-UHFFFAOYSA-N 328.371 4.425 0 40 EIAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc(F)c(F)c1 390830295 KAOROSPSTZCATO-UHFFFAOYSA-N 333.359 4.259 0 40 EIAB C[C@@H](c1ccccc1)c1nc(-c2ccc(Br)cc2)n[nH]1 642882504 FJRKQBSAJUKFCP-NSHDSACASA-N 328.213 4.386 0 40 EIAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(N(C)C)cc1 90650 HMPITKOBVTZOBA-UHFFFAOYSA-N 335.407 4.221 0 40 EIAB O=C(COc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1 151313 PCQVJLDSMXJGHM-UHFFFAOYSA-N 344.823 4.481 0 40 EIAB COC(=O)c1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 382413 IOZWRQMAQAOQRO-FQEVSTJZSA-N 347.418 4.234 0 40 EIAB Cc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1)OCO3 412472 CADQLJWGJRCQTN-UHFFFAOYSA-N 337.400 4.247 0 40 EIAB CCc1nc2sc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 501167 LUWCXNZDVRYJGG-UHFFFAOYSA-N 333.844 4.307 0 40 EIAB CC[C@H](C)NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324273 RUDYVSFQYFTKKI-LBPRGKRZSA-N 330.428 4.419 0 40 EIAB CC(C)CC(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1 2136407 RGZXKTLSNTYKGV-UHFFFAOYSA-N 327.453 4.289 0 40 EIAB CCOC(=O)c1ccc(C(=O)CCc2ccc(SC)cc2)cc1 2516653 SVCYLMPRLYOMMC-UHFFFAOYSA-N 328.433 4.401 0 40 EIAB CCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 2601769 IGESIESSZHZJCQ-UHFFFAOYSA-N 341.480 4.261 0 40 EIAB O=C(NCc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 2639390 PZPITQZXGYNNRX-UHFFFAOYSA-N 335.378 4.335 0 40 EIAB O=C1c2ccccc2C(=O)N1CN(C1CCCCC1)C1CCCCC1 3466608 BALMNJIMZSRLDB-UHFFFAOYSA-N 340.467 4.208 0 40 EIAB CC1=C[C@@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@@H]1[C@H]2C 4028053 ABFSDSQOZYJGJO-BYDUFCQCSA-N 347.455 4.320 0 40 EIAB CCc1ccc(N(CC)C(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1 4062758 NTRQGCHGSBMGQE-UHFFFAOYSA-N 348.446 4.285 0 40 EIAB Cc1cccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1 4392457 CYTVYXUXLNMCMU-UHFFFAOYSA-N 336.460 4.399 0 40 EIAB COc1ccccc1-c1ocnc1C(=O)Nc1cccc2c1CCCC2 5002017 CNDMHIUACMIJRH-UHFFFAOYSA-N 348.402 4.481 0 40 EIAB Cc1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 5002210 IICCFJLNHLAZDY-INIZCTEOSA-N 326.446 4.383 0 40 EIAB O=S(=O)(c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 5004781 RRPQCLWZSFHNCP-FQEVSTJZSA-N 334.440 4.219 0 40 EIAB Cc1cccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCS2)c1 6755733 MSZZUPGCNKNZCY-UHFFFAOYSA-N 344.867 4.441 0 40 EIAB Cc1ccc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1Cl 8852203 DBAGBEZRBUCBNO-CYBMUJFWSA-N 332.831 4.497 0 40 EIAB COc1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 9051529 AVUWTLXLQCXCCG-UHFFFAOYSA-N 347.403 4.010 0 40 EIAB COc1ccc(OC)c(NC(=O)c2ccccc2SC(F)F)c1 10030422 ZEDNEYFNFMOXQX-UHFFFAOYSA-N 339.363 4.271 0 40 EIAB Cc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c(F)c1 10411471 QFVTVUXEADTKSX-UHFFFAOYSA-N 326.375 4.020 0 40 EIAB CC(C)(C)CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 10421453 GCCYSBFZCQCTPR-UHFFFAOYSA-N 326.444 4.046 0 40 EIAB O=C(NCC1(c2ccccc2)CCCC1)c1cc(=O)c2ccccc2o1 12101280 AIBTZJSIKBRGCF-UHFFFAOYSA-N 347.414 4.035 0 40 EIAB Cc1cc(OCCCC(=O)NOCc2ccccc2)ccc1Cl 12892951 NSHKRDDQSPBHEM-UHFFFAOYSA-N 333.815 4.055 0 40 EIAB Cc1cc(C)c(NC(=O)CCc2ccc3c(c2)OCCO3)c(Cl)c1 12924283 ZQULZGRBCBDJSZ-UHFFFAOYSA-N 345.826 4.299 0 40 EIAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C)c(CC)s2)cc1 13001437 PYMKTXPYUHMMSR-DHZHZOJOSA-N 343.448 4.448 0 40 EIAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1C 13582294 YMOAAFLFJGPKNP-UHFFFAOYSA-N 334.213 4.409 0 40 EIAB C[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)c2ccccc2S1 14166532 ZPALBKXUWPXLLC-CYBMUJFWSA-N 335.432 4.161 0 40 EIAB COc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 15658712 UGSLRLYNZMLPLY-UHFFFAOYSA-N 345.811 4.119 0 40 EIAB CCCCc1ccc(-n2nc3ccc(N)c(Br)c3n2)cc1 20134569 CTZUQYAWDCJJDS-UHFFFAOYSA-N 345.244 4.108 0 40 EIAB CC(C)C(NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)C(C)C 20460486 MIIIAACAYYHYPI-QGZVFWFLSA-N 330.516 4.329 0 40 EIAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1csc2c1CCCC2 25144281 ATFTWFJHXJBMGS-QWRGUYRKSA-N 331.403 4.478 0 40 EIAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Cl)c[nH]1 25194973 VLHACMCSENAUPR-GOSISDBHSA-N 339.778 4.449 0 40 EIAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cccs1 31687141 VCBGHVFVCZAUFW-VIFPVBQESA-N 330.236 4.139 0 40 EIAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCSCC1 32935693 UZNRHTDNDSIBGP-INIZCTEOSA-N 340.492 4.120 0 40 EIAB O=C(Sc1nnc(Cc2ccc(Cl)cc2)o1)c1ccccc1 33586623 UYUJIPCWNKJTIA-UHFFFAOYSA-N 330.796 4.246 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2ccccc2F)C1 36365973 ZJZCHJLLESDWDR-AWEZNQCLSA-N 325.318 4.274 0 40 EIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 36775819 VHGCIEFWHYLLLE-IUODEOHRSA-N 330.453 4.064 0 40 EIAB O=C(/C=C/c1ccccc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 48344869 RFLWFSGVPPZBEE-VEGGFIAOSA-N 333.391 4.066 0 40 EIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(OCc2ccccc2)cc1 49548151 CWIMCOJKNNGZHO-KRWDZBQOSA-N 333.391 4.123 0 40 EIAB Cc1c(C(=O)Nc2ccnn2C2CCCCC2)oc2c1C(=O)CCC2 58368837 SKAZNGYUXARRNT-UHFFFAOYSA-N 341.411 4.061 0 40 EIAB CN(Cc1cscn1)Cc1c(-c2ccccc2)nc2ccccn12 63590798 LHPIRTJZVXWJMF-UHFFFAOYSA-N 334.448 4.090 0 40 EIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 65743321 ZYEPWFOAZRKWFN-ZRNYENFQSA-N 328.452 4.294 0 40 EIAB in-vitro Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cnn(C)c1C 69517609 IVVBHYHHAGEFHJ-INIZCTEOSA-N 349.434 4.429 0 40 EIAB Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(-c2cnco2)c1 69520884 ZILFJXGLBYHYKI-UHFFFAOYSA-N 344.374 4.088 0 40 EIAB Cc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)sc2ccc(F)cc12 69870883 POSYWKQPZWUVQD-AWEZNQCLSA-N 343.427 4.023 0 40 EIAB COc1ccc(NC(=S)Nc2cccc(SC)c2)c(OC)c1 71761277 NYCUSICBCWCCKO-UHFFFAOYSA-N 334.466 4.235 0 40 EIAB CC(C)(C)OC(=O)N1CCC[C@@](O)(c2c(Cl)cccc2Cl)C1 72233783 HYWCYTNRBLVHMJ-INIZCTEOSA-N 346.254 4.212 0 40 EIAB CCn1c([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)nc2ccccc21 79336568 ALCVBCDCPZJHOE-DAYGRLMNSA-N 349.434 4.116 0 40 EIAB COCC(=O)N(c1cc(C)cc(C)c1)c1nc2ccccc2s1 89585289 FPKVTFOTXYTTIB-UHFFFAOYSA-N 326.421 4.224 0 40 EIAB O=C(Nc1cccc(-c2nnco2)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 95389727 WMEDBOLNZAPMDO-CVEARBPZSA-N 339.782 4.132 0 40 EIAB CS(=O)(=O)c1ccccc1SCc1ncc(Cl)cc1Cl 95990867 YCRXDBIJJMEVCX-UHFFFAOYSA-N 348.276 4.084 0 40 EIAB CC(C)(C)c1ccc(C(=O)NCCCn2ccc3cccnc32)cc1 96353321 DBXDUUXDBCKZSS-UHFFFAOYSA-N 335.451 4.154 0 40 EIAB Cc1noc(C)c1N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 96450419 PJPIIXHQSOXPCO-UHFFFAOYSA-N 339.370 4.133 0 40 EIAB COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 100742855 WSCCZHJZVDZUSC-OLMFILLTSA-N 344.451 4.164 0 40 EIAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccccc2Cl)cc1 223438161 AEBXRIPQZVQTIW-AWEZNQCLSA-N 349.883 4.324 0 40 EIAB CCCCNC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224094510 WPJHLUUHPHZALR-UHFFFAOYSA-N 327.424 4.113 0 40 EIAB Cc1ccc(-c2nnc(NC(=O)Cc3ccc(C)c(C)c3)s2)cc1 224223383 FHDXNVSZMXCNSA-UHFFFAOYSA-N 337.448 4.312 0 40 EIAB COc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1C 224895774 NWSAQPFVCUFOTO-UHFFFAOYSA-N 335.856 4.179 0 40 EIAB C[C@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccccc1 224940991 HGMVSUKRBHNVAZ-QGZVFWFLSA-N 333.431 4.214 0 40 EIAB Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3C)cc2c1 226036532 JFKNKEJFCIJHLT-UHFFFAOYSA-N 327.767 4.316 0 40 EIAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260755825 BUONUFUSWZBZFJ-XOKHGSTOSA-N 326.469 4.053 0 40 EIAB CCCN1C(=O)N/C(=C\c2ccccc2Sc2ccccc2)C1=O 409239030 FNPLFHAFEJUEFB-SSZFMOIBSA-N 338.432 4.141 0 40 EIAB C[C@@H]1CCC[C@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 521394010 HSNAAGPUGCCJQJ-QSOKESPWSA-N 342.439 4.410 0 40 EIAB Cc1nc(C2CCCCC2)sc1C(=O)N1CC[C@H](O)CC12CCC2 564816253 AFYNUSIEHMVCAG-HNNXBMFYSA-N 348.512 4.019 0 40 EIAB O=C(COc1ccccc1)c1ccc(Br)c(Cl)c1 575242901 AQINSUNSDOYDRY-UHFFFAOYSA-N 325.589 4.364 0 40 EIAB CC(=O)N1CCCCCCN(Cc2ccccn2)Cc2ccccc21 643563315 OVXADKGCQQZRIH-UHFFFAOYSA-N 337.467 4.011 0 40 EIAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@H]2CC[C@H]1CC(F)C2 1775967384 PPCIWNZHKUBVDT-GJZGRUSLSA-N 337.394 4.416 0 40 EIAB C[C@H](CCc1ccccc1)N1C[C@H](COc2ccccc2)OC1=S 341041 ZKVUNPUUHDIXDI-VQIMIIECSA-N 341.476 4.072 0 40 EIAB COc1cc(Cl)ccc1NC(=S)NC(=O)c1cc(C)cc(C)c1 505881 ZAQPTZYFKLSEMJ-UHFFFAOYSA-N 348.855 4.092 0 40 EIAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccncc1 542024 FCVWSQBLJNSMCF-NRFANRHFSA-N 326.403 4.485 0 40 EIAB COc1ccc(Nc2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1 813371 HRULRIUSIWLJQA-UHFFFAOYSA-N 340.404 4.488 0 40 EIAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1369682 DFOWZBIOZHJFNW-GJZGRUSLSA-N 349.931 4.174 0 40 EIAB CCN(CC)CCSC(=O)C(c1ccccc1)c1ccccc1 1957899 WHLUQAYNVOGZST-UHFFFAOYSA-N 327.493 4.420 0 40 EIAB in-man C[C@H]1CCc2sc3nc(NCc4ccccc4)n4ncnc4c3c2C1 2454456 ZXVGMWQTOZQUQO-LBPRGKRZSA-N 349.463 4.076 0 40 EIAB C[C@H](NC(=S)Nc1ccccc1)[C@H](c1cccs1)N1CCCC1 3211493 FXPQNIMLKQBNIY-WMLDXEAASA-N 345.537 4.260 0 40 EIAB Cc1ccc(C)c(C(=O)COC(=O)/C=C/c2ccccc2Cl)c1 3323023 SIBGKSJEWUFJJY-MDZDMXLPSA-N 328.795 4.396 0 40 EIAB CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3479690 YQFJUMKLMKLOTM-UHFFFAOYSA-N 331.799 4.339 0 40 EIAB COc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(F)cc1)=N2 4129721 XWEVNCMOVGRJOX-UHFFFAOYSA-N 345.377 4.268 0 40 EIAB Cc1cc2cc(CNC(=O)c3ccccc3Br)ccc2[nH]1 4138046 QMLUUQYPTVTWSU-UHFFFAOYSA-N 343.224 4.169 0 40 EIAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)cc1 4292016 WWJVOGUSXDDUAQ-CTNGQTDRSA-N 345.377 4.463 0 40 EIAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1 4375401 FVSSMGMAIRBRIK-UHFFFAOYSA-N 344.386 4.061 0 40 EIAB Cc1cn(C(=O)c2sc3cccc(OC(F)F)c3c2Cl)cn1 6447351 LSMKEZUKNOWDCB-UHFFFAOYSA-N 342.754 4.350 0 40 EIAB CCOc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 6811342 XXHAICKCXPAUGF-UHFFFAOYSA-N 337.375 4.061 0 40 EIAB Cc1n[nH]c(C)c1SCC(=O)OCc1c(Cl)cccc1Cl 6935629 ZLFVSAGJXNMHRC-UHFFFAOYSA-N 345.251 4.169 0 40 EIAB COc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1F 7040569 FIUAIBOAHOCGHU-UHFFFAOYSA-N 327.380 4.358 0 40 EIAB O=c1c2ccccc2[nH]c(=S)n1CCCn1ccc2ccccc21 7046268 NLADFTJOGZXQPV-UHFFFAOYSA-N 335.432 4.104 0 40 EIAB COc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c(OC)c1 8312112 BWSYPCANROFBJE-UHFFFAOYSA-N 343.398 4.293 0 40 EIAB C[C@@H](NC(=O)COc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 9142055 KCHKNTCQYNXIJJ-XXWNAHEMSA-N 347.886 4.440 0 40 EIAB Cc1[nH]c2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2c1C 9883514 MSMFXQUXELIMPC-UHFFFAOYSA-N 336.391 4.198 0 40 EIAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(C(C)C)c1 10856818 MEURXIDASWTMAC-UHFFFAOYSA-N 341.407 4.039 0 40 EIAB CCOc1ccc(-c2cc(C(=O)Nc3c[nH]c4ccccc34)[nH]n2)cc1 12116830 QNRVORCQJFKENE-UHFFFAOYSA-N 346.390 4.209 0 40 EIAB CCCc1noc([C@H](C)Sc2ncc(-c3ccccc3)n2C)n1 12525265 UIDZXEGDFMUTDS-LBPRGKRZSA-N 328.441 4.276 0 40 EIAB O=C([C@H](Sc1nc2ccccc2[nH]1)c1ccccc1)N1CCCC1 12590997 DJDFSMWWCXXUSB-QGZVFWFLSA-N 337.448 4.019 0 40 EIAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccco2)no1 12953237 DZHXFTHRWLGKFA-UHFFFAOYSA-N 338.194 4.268 0 40 EIAB CCOc1cccc2cc([C@H](C)NC(=O)NCc3ccccc3)oc12 12984091 YULUZSWOXSRMSG-AWEZNQCLSA-N 338.407 4.392 0 40 EIAB Cc1ccc(Cn2c([C@H](O)c3ccccc3)nc3ccccc32)cc1 13030680 JEPAZAIGYPIKOT-OAQYLSRUSA-N 328.415 4.475 0 40 EIAB CC(=O)NCCc1ccc(-c2csc(-c3cccs3)n2)s1 14103060 WLJGOCZVYTYKIJ-UHFFFAOYSA-N 334.491 4.279 0 40 EIAB FC(F)(F)c1cccc(NC(=S)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1 16399429 KHZGEKXOYJUNQM-TUAOUCFPSA-N 328.403 4.428 0 40 EIAB Cc1ccc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@@H](C)C4)n3n2)cc1 18038282 LRUQKSGZPFWQBO-IYBDPMFKSA-N 334.467 4.495 0 40 EIAB CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2)[C@@H]1c1ccccc1 19850382 AYXUZUABTMGOKA-OALUTQOASA-N 338.451 4.309 0 40 EIAB O=C(O)c1cccc(CSc2nnc(-c3ccccc3Cl)o2)c1 19928088 GIRBFVGKODJZNL-UHFFFAOYSA-N 346.795 4.381 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1c[nH]c2ccccc12 21197544 XTQWTZAWZYFZPA-UHFFFAOYSA-N 330.790 4.162 0 40 EIAB CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CCc2ccccc21 24968650 KAQLJDBXEJRODQ-QGZVFWFLSA-N 344.252 4.138 0 40 EIAB CCOc1ccc(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 24985239 JIBKEPAYSDPXKX-UHFFFAOYSA-N 347.418 4.269 0 40 EIAB CCc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969488 UGHIDVVMAPHFBA-UHFFFAOYSA-N 339.826 4.400 0 40 EIAB O=C(NCCCn1cccn1)c1cc2sc3ccccc3c2s1 30168913 SSDRAFIESXVPOX-UHFFFAOYSA-N 341.461 4.133 0 40 EIAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1 30940436 LBMJAPZZPFNUDP-UHFFFAOYSA-N 349.434 4.279 0 40 EIAB CC(C)n1nccc1NC(=O)c1cc2cccc(Br)c2o1 33245485 ISOPCUVNPVJXTA-UHFFFAOYSA-N 348.200 4.225 0 40 EIAB O=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1F 36354217 DSCVXJMTMYNKTC-UHFFFAOYSA-N 341.367 4.131 0 40 EIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2c(F)cccc2F)C1 36358021 KFHBEQSJEMSNAU-LBPRGKRZSA-N 343.308 4.413 0 40 EIAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 36635871 SCOHSEQRJCZVAG-AWEZNQCLSA-N 349.217 4.046 0 40 EIAB O=C(NCc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1 38489671 DETVAJRDVZGFLX-UHFFFAOYSA-N 332.806 4.010 0 40 EIAB C[C@@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@@H]1CCCO1 40072575 NQQVHHNBDOLNJV-DOMZBBRYSA-N 325.437 4.338 0 40 EIAB COc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1OC 40097643 NDYVYBWSBMCDHM-UHFFFAOYSA-N 334.803 4.021 0 40 EIAB O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccccc1Cl 44641059 FJKGHNPPCQZJPI-UHFFFAOYSA-N 347.823 4.110 0 40 EIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H]1c1ccc(F)cc1 48325359 SIBQZZLRIOZVTP-GOSISDBHSA-N 326.346 4.423 0 40 EIAB COc1ccc(NC(=O)Nc2cccc(Br)c2)c(C)c1 51355892 VJOSFMCTPSADAO-UHFFFAOYSA-N 335.201 4.410 0 40 EIAB CCc1c(C(=O)N2CCC[C@@H]2c2ccccc2C)[nH]c(C)c1C(C)=O 55781557 NGQZOQMHFMHEPA-GOSISDBHSA-N 338.451 4.374 0 40 EIAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccccn1 56825570 MUNCDBYBYWKEJU-UHFFFAOYSA-N 346.430 4.323 0 40 EIAB Cc1ccc(CN2Cc3cc4c(C)ccc(C)c4nc3OCC2=O)cc1 57709582 ZCIDRNPTUFNQMN-UHFFFAOYSA-N 346.430 4.081 0 40 EIAB CCN(C[C@H]1CCOC1)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 58153140 DCMDHHAIYYZFAG-AEFFLSMTSA-N 332.488 4.232 0 40 EIAB Cc1[nH]c2ccc(C(=O)NCCO[C@H]3CCCC[C@@H]3C)cc2c1C 58370498 BWTCPMNMSJBRDK-DJJJIMSYSA-N 328.456 4.110 0 40 EIAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3S2)n1 65519026 JOYYNWKPCMRIIK-ZBFHGGJFSA-N 344.505 4.222 0 40 EIAB COc1cccc2cc([C@H](C)NCc3nc4ccccc4n3C)oc12 66970977 STNIOSDIWAJKJL-ZDUSSCGKSA-N 335.407 4.179 0 40 EIAB O=C(Nc1ccc2c(c1)NCCC2)c1ccccc1Br 69052930 BEZPRUJIAUIOPR-UHFFFAOYSA-N 331.213 4.060 0 40 EIAB C[C@H](NCc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2 71825225 UTKOINWIWKDJPF-LBPRGKRZSA-N 343.496 4.176 0 40 EIAB Cc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)c(Cl)c1 72280429 UMVLSQMGQDNXCD-UHFFFAOYSA-N 328.759 4.342 0 40 EIAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 72328954 SNPDHEIQPDQQLV-INIZCTEOSA-N 333.435 4.136 0 40 EIAB COc1cc(F)c(NCc2ncc(-c3cccs3)o2)cc1OC 72912386 SXUHHRSYVXGPTA-UHFFFAOYSA-N 334.372 4.172 0 40 EIAB c1ccc2c(CCCNCCc3nc4ccccc4[nH]3)cccc2c1 76289208 ZEURIOMPQMBGND-UHFFFAOYSA-N 329.447 4.481 0 40 EIAB CC[C@H](C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)c1ccccc1 79361088 VGEAXJCSRQIEDP-QMHKHESXSA-N 349.883 4.351 0 40 EIAB Cc1cc([C@@H](C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)c(C)o1 84081597 XIHDXSRXQFKINR-ABZNLYFFSA-N 343.814 4.088 0 40 EIAB CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC(=O)C[C@H]1C 95447026 GCOGKJPJCOJOCU-BEFAXECRSA-N 333.447 4.350 0 40 EIAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1cccc(C(=O)N(C)C)c1 95455783 VBAOQHYUDALQEP-LSDHHAIUSA-N 340.442 4.035 0 40 EIAB CCOC[C@H]1CCN(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 96010718 BYRLPHWIQLTXLY-AWEZNQCLSA-N 345.468 4.009 0 40 EIAB c1ccc(C[C@H]2CN(Cc3nccs3)CC[C@H]2OCC2CC2)cc1 96110285 JBVKXXFZDUCBCV-RBUKOAKNSA-N 342.508 4.003 0 40 EIAB CC1CCN(c2cc(N)cc(C(=O)c3ccc(Cl)cc3)c2)CC1 96190553 GPHUIHSVIZWNAT-UHFFFAOYSA-N 328.843 4.390 0 40 EIAB COc1cccc(NC(=O)c2ccc3onc(-c4coc(C)n4)c3c2)c1 96266513 UTMDGGZWYMEPJF-UHFFFAOYSA-N 349.346 4.052 0 40 EIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc3ccccc3c1)n2C 100811983 LRCDHTVYXFJZOZ-QZQOTICOSA-N 332.428 4.443 0 40 EIAB Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(O)c1Cc1ccccc1 101029787 ISWXTLNKTQUNBZ-UHFFFAOYSA-N 347.393 4.449 0 40 EIAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 169306133 IYWXNCONOXNVSJ-JYBIWHBTSA-N 329.399 4.055 0 40 EIAB COc1cc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)ccc1O 169348840 JPDORDSJPIKURD-JJWOIWCPSA-N 342.391 4.214 0 40 EIAB biogenic,in-vitro CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222720644 DVJNRHTUHIYAFY-CYBMUJFWSA-N 343.448 4.061 0 40 EIAB Cc1ccc(CCCNC(=O)COc2ccc3ccccc3c2)cc1 222834678 VELDGGIFFCBONN-UHFFFAOYSA-N 333.431 4.276 0 40 EIAB O=C(CCc1ccccc1F)N1CCc2cc(-c3ccncc3)ccc21 225638880 RMWPLCAAEUODIR-UHFFFAOYSA-N 346.405 4.410 0 40 EIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(NC(=O)c2ccccn2)cc1 245227382 LBHXSGVMJXHIEB-JYJNAYRXSA-N 349.434 4.099 0 40 EIAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCc1ccccc1 257173390 LUDZQELWLMOONJ-UHFFFAOYSA-N 334.394 4.169 0 40 EIAB Cc1cc(Br)cc(C)c1C(=O)COCc1ccccc1 381881872 AQYSQZUVRMACML-UHFFFAOYSA-N 333.225 4.465 0 40 EIAB CCCCOC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 408574954 MYSPPSYNNHDGHS-UHFFFAOYSA-N 343.448 4.374 0 40 EIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]21 408623784 RZZJKSBUQYFXAX-IDMWTJEOSA-N 348.229 4.251 0 40 EIAB CC(C)(O)C1CCC(C(=O)N2CCCCC[C@H]2c2ccco2)CC1 651360039 OOFQSQRAEDIFBW-JCYILVPMSA-N 333.472 4.301 0 40 EIAB COc1cccc2cc(CNC(=O)C3(Cc4ccccc4)CCC3)oc12 1116256391 IVXQUOSEXIFDJC-UHFFFAOYSA-N 349.430 4.471 0 40 EIAB O=C(NCc1ccc2ncccc2c1)c1cccc2cc(O)ccc12 1634781762 WEYOMTGDHLZUGK-UHFFFAOYSA-N 328.371 4.024 0 40 EIAB CCCCN(CCCC)Cc1ccc(-c2nnc(S)n2CC)o1 1775968992 RADZTUGHIKUSCR-UHFFFAOYSA-N 336.505 4.249 0 40 EIAB O=S1(=O)N=C(NC2CCCCCCCCCCC2)c2ccccc21 54188 CKQBMTMTQYXULD-UHFFFAOYSA-N 348.512 4.398 0 40 EIAB CCCn1nc(NC(=O)c2ccco2)c2cc3cccc(C)c3nc21 1292365 VKCYZDZSUNLHOS-UHFFFAOYSA-N 334.379 4.148 0 40 EIAB CCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(F)cc2)s1 1356313 HXFIJUKJWZPKJK-UHFFFAOYSA-N 341.411 4.319 0 40 EIAB O=C1OC(c2ccccc2)(c2ccccc2)[C@@H]2C[C@]12c1ccccc1 1563162 DHCYKQGURXPMHH-IFMALSPDSA-N 326.395 4.445 0 40 EIAB CC(=O)Oc1ccc2ccccc2c1CN(C(C)=O)C1CCCCC1 1679496 CTKBGFGRPPGARZ-UHFFFAOYSA-N 339.435 4.446 0 40 EIAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1Cl 1934211 AIVFSWHAUUSLBX-UHFFFAOYSA-N 331.799 4.259 0 40 EIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(Cl)cc1 3334250 JSUVVNVKWQLWOM-UHFFFAOYSA-N 344.842 4.139 0 40 EIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1Cl 3472386 KWWSCGVBXZGXEU-JTQLQIEISA-N 340.206 4.408 0 40 EIAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 4854176 MZWSPCBBVRCGSV-FQEVSTJZSA-N 331.419 4.434 0 40 EIAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887758 HUINMZVYBSWLCT-DFQSSKMNSA-N 336.431 4.485 0 40 EIAB CSc1ncccc1C(=O)OCc1cccc(C(F)(F)F)c1 5506001 FTKLTBBCORIHRY-UHFFFAOYSA-N 327.327 4.179 0 40 EIAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccccc1F 5703260 XKIUDVZTJDMMHM-IUXPMGMMSA-N 325.383 4.338 0 40 EIAB CSCC[C@@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 6016731 QCFABUCGHMDLHD-MRXNPFEDSA-N 331.485 4.054 0 40 EIAB CCCSc1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 6313724 UKMRHGQPVQMKMZ-UHFFFAOYSA-N 340.448 4.373 0 40 EIAB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(Cl)cc3)C2=O)s1 6420150 YOVYMTKQMXOZJM-IKKFDYCRSA-N 349.868 4.172 0 40 EIAB COc1cccc(C(=O)Oc2ccc(C3SCCS3)cc2)c1 6540259 WZWLPDXLOJMMQO-UHFFFAOYSA-N 332.446 4.393 0 40 EIAB O[C@H](CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 8118218 DGWSKKLWQXQCDE-GOSISDBHSA-N 338.476 4.209 0 40 EIAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(Cl)cc1 8157001 YUQAAVCWFAVHHJ-HNNXBMFYSA-N 349.887 4.360 0 40 EIAB O=C(Nc1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 11563101 QNMDAHBVQGKJRI-UHFFFAOYSA-N 336.370 4.023 0 40 EIAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCc2sccc2C1 12213591 MGVRBQSEHJBEAL-UHFFFAOYSA-N 336.460 4.307 0 40 EIAB COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1 13998283 HDWBIWGUFKWWLK-UHFFFAOYSA-N 347.462 4.440 0 40 EIAB Cc1cc(C)cc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c1 15882978 SHFNTEAKUNKBGZ-UHFFFAOYSA-N 346.430 4.074 0 40 EIAB CN1CCN([C@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 19801756 UYUKSGQLYHPHCQ-GOSISDBHSA-N 335.278 4.330 0 40 EIAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1cccc(C)c1 20104119 FWLQICLGKHIPHC-QGZVFWFLSA-N 325.452 4.074 0 40 EIAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1cccc(Cl)c1 21466172 FSRRJSYYNXGGAN-NSHDSACASA-N 335.860 4.021 0 40 EIAB Clc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 22877256 OADCBMJTFBFQAR-MRXNPFEDSA-N 335.278 4.358 0 40 EIAB Cc1ccccc1CCNC(=O)N(C)Cc1c(F)cccc1Cl 30980060 FYSOHDPCCIGPQG-UHFFFAOYSA-N 334.822 4.172 0 40 EIAB C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O 31166452 KNDPLJZJPQWOMQ-FDTXVGEPSA-N 330.468 4.365 0 40 EIAB biogenic,in-vitro O=C(Nc1ccccc1Br)c1ccc(N2CCCC2)cc1 36139734 WWZDYCQNRZRHQE-UHFFFAOYSA-N 345.240 4.302 0 40 EIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2)cc1 36358469 LUANFHGHTWLMRG-MRXNPFEDSA-N 337.354 4.144 0 40 EIAB CCn1ncc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c1C 36613929 USECNENXIYQOEJ-UHFFFAOYSA-N 339.365 4.042 0 40 EIAB S=C(Cc1cc(Cl)ccc1Oc1ccccc1)N1CCOCC1 39281987 NBZKSSBRYBZNJJ-UHFFFAOYSA-N 347.867 4.334 0 40 EIAB COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)c2ccccc2)c1 40120576 YZTWVEZHPJBIIK-NSHDSACASA-N 336.338 4.179 0 40 EIAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@@H](c2c(F)cccc2F)C1 40287088 PMKFMDFOPHICJR-GFCCVEGCSA-N 343.308 4.413 0 40 EIAB FC(F)(F)c1cnc(SCc2nc(C3CC3)no2)c(Cl)c1 45002993 ORYLOJOYLAUATP-UHFFFAOYSA-N 335.738 4.307 0 40 EIAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)s1 48356005 JLUXVFQZFBKPIS-MRVPVSSYSA-N 347.818 4.030 0 40 EIAB C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1cccs1 57422938 FUHNDTDMQKNHFW-LLVKDONJSA-N 331.828 4.078 0 40 EIAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccco1 58356896 GJLIRDJVHXHAND-UHFFFAOYSA-N 330.236 4.136 0 40 EIAB COc1ccc2oc(C)c(C(=O)Nc3c(C)nn(C(C)C)c3C)c2c1 65005471 HWQHQWJMLKNRAQ-UHFFFAOYSA-N 341.411 4.396 0 40 EIAB CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 67945253 HAOFFIMVXGKEHK-CABCVRRESA-N 328.799 4.041 0 40 EIAB O=C(Cc1ccc2c(c1)CCC2)N(Cc1ccccc1)c1nccs1 69329366 VGAASPANNLNNRV-UHFFFAOYSA-N 348.471 4.408 0 40 EIAB Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 71853753 XUMPDQFXBMVUQZ-JTQLQIEISA-N 327.211 4.052 0 40 EIAB CC(C)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 72328209 VVMCLAGDKIWFBN-UHFFFAOYSA-N 337.398 4.269 0 40 EIAB COc1ccc([C@@H]2CCCCCN2C(=O)CCC(F)(F)F)cc1 79372822 FZVCQDUAJOURFW-HNNXBMFYSA-N 329.362 4.481 0 40 EIAB Cn1cccc1[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2)o1 79666225 AKJWBZDNCRTBFR-IBGZPJMESA-N 349.434 4.332 0 40 EIAB CCN(C)C[C@@H]1CCN(C(=O)Nc2ccccc2-c2ccccc2)C1 80163610 ISMAMHKGOJUXSV-KRWDZBQOSA-N 337.467 4.159 0 40 EIAB Cc1nccn1-c1ccc([C@@H](C)NCc2nc(C3CC3)cs2)cc1 90458963 LLKPSAGNYNQGNE-CYBMUJFWSA-N 338.480 4.365 0 40 EIAB C[C@H](C(=O)Nc1cccc(OCc2ccncc2)c1)c1cccs1 95399265 YJOISHOSJZFMOX-AWEZNQCLSA-N 338.432 4.464 0 40 EIAB O=C(c1ccc(Cl)o1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95434236 PGQSRWLOXXITKX-OLZOCXBDSA-N 337.803 4.035 0 40 EIAB Cc1ccsc1-c1cccc(NC(=O)N(C)C[C@@H]2CCOC2)c1 95964201 RTXMWZQAWHCTRR-AWEZNQCLSA-N 330.453 4.224 0 40 EIAB CCSc1ccccc1C(=O)NC[C@H](OC)c1cccc(F)c1 96388131 KDXCBQRGWHIDAR-INIZCTEOSA-N 333.428 4.055 0 40 EIAB CCCO[C@H]1CCCN(C(=O)Nc2ccc3oc(CC)nc3c2)CC1 96410696 CGQFOKJEOHPZFJ-HNNXBMFYSA-N 345.443 4.203 0 40 EIAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2sncc2c1 97165546 CTNCIZLQGUBHBD-UHFFFAOYSA-N 348.431 4.053 0 40 EIAB Cc1ccc([C@@H](CC(=O)O)NCc2cnc(C(C)(C)C)s2)cc1 97235210 MQVQTGGVIIHBNQ-OAHLLOKOSA-N 332.469 4.055 0 40 EIAB Cc1noc2c1[C@@]1(C)CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 105364371 CWEKHXSSQMBRHH-IKQJIHETSA-N 327.468 4.320 0 40 EIAB Cc1cccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 223445373 CDSARYWTUUHYLH-UHFFFAOYSA-N 331.415 4.471 0 40 EIAB C[C@@H](O)c1ccc(C2(CNC(=O)[C@@H]3CC=CCC3)CCCC2)s1 225682473 JTWQXJOTPKTTAY-HUUCEWRRSA-N 333.497 4.086 0 40 EIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225799283 OEOVUZXHBNGNSY-OAHLLOKOSA-N 333.350 4.248 0 40 EIAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(C)c(Cl)c1 227146842 YBKWCNPNRZNOAO-UHFFFAOYSA-N 325.195 4.145 0 40 EIAB CCOc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OC(F)F 245228202 JWBLZTUCQBUYHU-OUCADQQQSA-N 341.398 4.241 0 40 EIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3cncc4ccccc34)CC2)no1 257281540 OPRRKHZIQOBYBL-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB CC(C)c1oc([C@H]2CCCN2CCC(=O)O)nc1-c1ccccc1 262884409 WGGDGLVUIUHZLW-OAHLLOKOSA-N 328.412 4.077 0 40 EIAB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)c2ccccc21 409112773 BWRMNIVGTGVHGU-LGMDPLHJSA-N 337.419 4.391 0 40 EIAB CC(C)(C)OC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 812517099 QNAOUEYTGWGKAV-AULYBMBSSA-N 326.234 4.220 0 40 EIAB Cc1cc2ccccc2nc1SCC(=O)N1[C@H](C)CCC[C@H]1C 416340 NOLATKQENMGJET-HUUCEWRRSA-N 328.481 4.425 0 40 EIAB Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ncccn23)cc1 1103823 OSGZYJKDINLIGE-UHFFFAOYSA-N 346.365 4.096 0 40 EIAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(C)cc3)NC(=O)CN21 2398710 LAQWZTJZWIVJGC-MDRMPYQZSA-N 346.474 4.195 0 40 EIAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1 2636394 KZFDMULEUKJQNF-UHFFFAOYSA-N 349.358 4.242 0 40 EIAB CC(C)c1ccccc1NC(=O)CSc1ncnc2ccccc12 3254665 BIKVFINRQCSANH-UHFFFAOYSA-N 337.448 4.484 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)COc1ncnc2ccccc12 3266187 OBPXMMSZISQXES-CQSZACIVSA-N 335.407 4.161 0 40 EIAB CC(C)Sc1nnc(CCCCc2nnc(SC(C)C)o2)o1 4667901 HFRYZYZRMDGKCL-UHFFFAOYSA-N 342.490 4.019 0 40 EIAB Cc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2C)cc1 4696114 PSKFYDRCVLIUGC-UHFFFAOYSA-N 331.843 4.432 0 40 EIAB CC(C)(C)CC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 4696189 QHSBRCRIMCTAKY-UHFFFAOYSA-N 339.848 4.145 0 40 EIAB Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 4974096 LJBOBFXTXNQJOL-CGTJXYLNSA-N 332.440 4.156 0 40 EIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)s1 5054250 UVRYWZFXRRKIKS-WDEREUQCSA-N 335.498 4.479 0 40 EIAB Cc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 5417680 GGOHDGAKJGKGOQ-REZTVBANSA-N 329.303 4.430 0 40 EIAB COc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 5513884 NKCNNHZHCNAFES-UHFFFAOYSA-N 326.179 4.020 0 40 EIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(F)c(F)c2)c1 5565115 LCWNQNTZINXOHU-LLVKDONJSA-N 335.375 4.287 0 40 EIAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 5597391 RZKNHXCQCWBITH-OAHLLOKOSA-N 327.424 4.444 0 40 EIAB CC(/C=C/c1ccccc1)=C\C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 5638440 LFSIDNBLRSULJS-JHQOVHHMSA-N 339.479 4.454 0 40 EIAB biogenic Cc1ccc(C)c(OCC(=O)NCCOc2cccc3ccccc23)c1 5750581 QJRLJDHGAJBZIH-UHFFFAOYSA-N 349.430 4.031 0 40 EIAB C[C@@H](Oc1cccc2cccnc12)C(=O)Nc1ccc(F)c(F)c1F 5937425 BLKMDCACYUNBGE-SNVBAGLBSA-N 346.308 4.058 0 40 EIAB O=C(COc1c(Cl)cccc1Cl)Nc1c(F)cccc1F 6918498 NLZZQKSATFUYKX-UHFFFAOYSA-N 332.133 4.289 0 40 EIAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2F)N1CC(F)(F)F 7113637 BFMAXWJACDBUDE-CQSZACIVSA-N 342.267 4.094 0 40 EIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 7194784 OZMGIJVNMUIOKX-LBPRGKRZSA-N 328.393 4.310 0 40 EIAB CCOc1ccc([C@@H]2CCCN2c2ncnc3sccc23)cc1 7903464 UFZQGXLEROCNAJ-INIZCTEOSA-N 325.437 4.432 0 40 EIAB CCCc1nc2ccccc2n1CC(=O)N(CC)C1CCCCC1 8013101 PRRUIMDDMGKNPO-UHFFFAOYSA-N 327.472 4.170 0 40 EIAB Cc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccc2ccccc2c1 8394365 QYPZTOCLSMPWLX-OAHLLOKOSA-N 343.430 4.375 0 40 EIAB Cc1csc(N(C(=O)COc2ccc(F)cc2)c2ccccc2)n1 8778466 UJVVKZARMUXUKF-UHFFFAOYSA-N 342.395 4.334 0 40 EIAB Cc1ccc(C(=O)CSc2nnc(C(C)C)n2C2CC2)c(C)c1 10922276 APXORUZZOSNTJO-UHFFFAOYSA-N 329.469 4.328 0 40 EIAB CCCCOc1ccccc1C(=O)Nc1onc2c1C[C@H](C)CC2 11915437 VRNKCVUKILSALT-CYBMUJFWSA-N 328.412 4.231 0 40 EIAB CC1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 12763098 YMBHLZHHXUZBTL-UHFFFAOYSA-N 330.653 4.411 0 40 EIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@H](O)CC1(CCCCC1)O2 12892894 IEBAMPNFBMIYQO-QGZVFWFLSA-N 340.419 4.109 0 40 EIAB biogenic Cn1ccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)n1 13667635 SIGSAFYSDOPIST-UHFFFAOYSA-N 340.433 4.011 0 40 EIAB CCn1c(SCc2cc(C)no2)nnc1-c1ccc(Cl)cc1 14184452 IMGZAAVYYWZZQQ-UHFFFAOYSA-N 334.832 4.207 0 40 EIAB O=C(Cc1scnc1-c1cccs1)NCc1ccccc1Cl 15840255 WCHSEBIKVMQVPM-UHFFFAOYSA-N 348.880 4.384 0 40 EIAB c1ccc(CN2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 19371902 RWUFHXKGHCZRKH-UHFFFAOYSA-N 329.447 4.394 0 40 EIAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1OC 19736732 BODINHZYVUDJBE-KGLIPLIRSA-N 342.439 4.197 0 40 EIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccccc1 20108465 IMFRFEVFQDYSMF-RTBURBONSA-N 327.424 4.120 0 40 EIAB Cc1nc(NC(=O)C[C@H]2C=CCC2)sc1-c1nccn1C(F)F 24987437 YWNBCHMQCQJLMH-JTQLQIEISA-N 338.383 4.005 0 40 EIAB O=C(Nc1c(-c2cccs2)nc2sccn12)c1ccccc1 27023711 IJZZXIVNPSNGSQ-UHFFFAOYSA-N 325.418 4.377 0 40 EIAB COc1cc(OC)c(NC(=O)c2cc(C)n(C3CC3)c2C)cc1Cl 30061160 XPYIQUUVDOMCBK-UHFFFAOYSA-N 348.830 4.363 0 40 EIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 31903837 OWPVLYVOZVKXNW-RNCFNFMXSA-N 336.284 4.159 0 40 EIAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1OCc1ccncc1 32063896 KZDZFBSPKCROKT-UHFFFAOYSA-N 344.414 4.402 0 40 EIAB Cc1ccccc1[C@@H](C)NC(=O)CSC[C@@H]1CC1(Cl)Cl 32772158 IGFGJRVPZFWPEH-NEPJUHHUSA-N 332.296 4.099 0 40 EIAB CN(Cc1c(F)cccc1Cl)C(=O)NCC1(c2ccccc2)CC1 32889699 SZJLZOAWFKJTHO-UHFFFAOYSA-N 346.833 4.352 0 40 EIAB Nc1cc(N)nc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 32957860 XUWWAFPUIBNXJY-INIZCTEOSA-N 342.855 4.176 0 40 EIAB CC[C@H](C)OP(=O)(O[C@@H](C)CC)[C@H](O)C(Cl)(Cl)Cl 35193640 YNPDVDFFTXYYSL-CIUDSAMLSA-N 341.599 4.498 0 40 EIAB O=C(Nc1cccnc1)c1cc2occc2n1Cc1ccc(F)cc1 36365232 RHSUBZDVQGODBF-UHFFFAOYSA-N 335.338 4.069 0 40 EIAB Brc1cc(Cc2ccccc2)ccc1OC1CCNCC1 42774411 QNOOAORSUBAZAB-UHFFFAOYSA-N 346.268 4.171 0 40 EIAB in-vitro CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 44839236 LWGGAGLFGCMNAX-JKSUJKDBSA-N 341.451 4.292 0 40 EIAB Cc1cccc(-c2nnc([C@H](C)N3CCO[C@H](c4ccccc4)C3)o2)c1 44908064 BNXJYAOVTSFBDA-LPHOPBHVSA-N 349.434 4.180 0 40 EIAB CCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 45165251 XEUMBEWPIZBCAB-UHFFFAOYSA-N 328.462 4.217 0 40 EIAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 47080854 XEXVKPDSTTVCNM-UHFFFAOYSA-N 330.387 4.500 0 40 EIAB C/C=C/c1ccc(OCc2csc(-c3cnn(C)c3)n2)c(OC)c1 53453482 CJNIPLYOBDSHAZ-SNAWJCMRSA-N 341.436 4.164 0 40 EIAB COc1ccc(N(C(=O)Cc2ccc(Cl)cc2)C(C)C)cc1F 58324094 JPRDNRDDRSTXME-UHFFFAOYSA-N 335.806 4.472 0 40 EIAB C[C@H](Sc1nnnn1-c1ccc(O)cc1)c1cccc2ccccc12 63416002 YZAUIZHFJJQWFO-ZDUSSCGKSA-N 348.431 4.374 0 40 EIAB CC(C)c1cccc(NC(=O)COC(=O)c2nccc3ccccc23)c1 64875731 LWDNLWRMDLKLKR-UHFFFAOYSA-N 348.402 4.154 0 40 EIAB Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(N)c1 70462881 IWFLUHKMRLRIHU-UHFFFAOYSA-N 326.440 4.201 0 40 EIAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC 70735420 BCAQSVPRPLKYFI-UHFFFAOYSA-N 339.313 4.365 0 40 EIAB CCCCN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214503 MWIZVTIQYJNGKD-MRXNPFEDSA-N 333.476 4.390 0 40 EIAB Oc1cccc2c1CC[C@@H]2NCc1cnc(-c2cccs2)s1 83455497 XBTXINYRECFQFJ-AWEZNQCLSA-N 328.462 4.354 0 40 EIAB CN(Cc1ccc(O)cc1)C(=O)c1ccccc1Oc1ccccc1 95356896 IYTGKWOEFQNDNK-UHFFFAOYSA-N 333.387 4.457 0 40 EIAB Cc1cc(N[C@H](c2ncc(C)s2)C2CC2)nc(-c2ccccn2)n1 95402787 BNDZATWDYUORRS-INIZCTEOSA-N 337.452 4.175 0 40 EIAB CCc1noc(C2CCC(N[C@H]3C[C@@H](C)c4ccccc43)CC2)n1 95996914 DXZNTCNRZUVPMM-RMYJWEKJSA-N 325.456 4.496 0 40 EIAB CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc2ccccc12 101152089 DFLHMSDIBOUJBH-PHKHAOMNSA-N 336.435 4.402 0 40 EIAB O=C(c1cscn1)N1CCc2sccc2[C@@H]1c1cccs1 102981007 WBBUZYOYFYSZHD-CQSZACIVSA-N 332.475 4.054 0 40 EIAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1 222731259 BWTDUVGNNDGLGB-UHFFFAOYSA-N 333.431 4.356 0 40 EIAB CCn1c(=O)sc2cc(NC(=S)Nc3ccc(F)cc3)ccc21 225127104 YHWOJAUCQCBIHH-UHFFFAOYSA-N 347.440 4.031 0 40 EIAB CCCCOc1ccc(C(=S)NCc2cccc(OC)c2)cc1 408573293 JQNMYKYRBHAKFK-UHFFFAOYSA-N 329.465 4.339 0 40 EIAB CCC(F)(F)C(C)(C)CNC1CCN([C@H](C)c2ccncc2)CC1 527681158 HQZRDEYTFNYSPM-OAHLLOKOSA-N 339.474 4.268 0 40 EIAB NCCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 69851 QVEUKHRUDUMXID-UHFFFAOYSA-N 338.354 4.184 0 40 EIAB CC(C)Cc1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1 339228 MCQSAWPJMYZAAL-OUKQBFOZSA-N 348.490 4.247 0 40 EIAB Cc1c(C(=O)N(C)c2ccccc2Cl)cnn1-c1ccccc1 385348 XVHANNFKVORIIM-UHFFFAOYSA-N 325.799 4.111 0 40 EIAB O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]1c1ccccc1 475555 HCRNEJDDKQWLHQ-STQMWFEESA-N 334.188 4.330 0 40 EIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 505680 ZXAPCANXEJNCSV-AWEZNQCLSA-N 340.423 4.176 0 40 EIAB COc1cccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1OC 817734 OTZOQLUVKFGUJL-FQEVSTJZSA-N 335.407 4.157 0 40 EIAB COc1ccc(-c2nc3ccc(NC(=O)c4ccco4)cc3[nH]2)cc1 1277343 NJHOYSFFBCAAIN-UHFFFAOYSA-N 333.347 4.084 0 40 EIAB CCOC(=O)CCCCCC(=O)c1ccc(Br)cc1C 2518026 AWFIHPMSPJIFQT-UHFFFAOYSA-N 341.245 4.454 0 40 EIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CCCCC1 4033060 XXHCBNKIGORADN-UHFFFAOYSA-N 334.423 4.224 0 40 EIAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccsc1 4898665 NWSYQIQVPFXTHV-CYBMUJFWSA-N 337.466 4.013 0 40 EIAB CCCCCOc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1 5152241 GSIHTSBDLFCDEU-UHFFFAOYSA-N 337.419 4.294 0 40 EIAB Cc1nc2ccccc2n1CCC(=O)Nc1ccc(F)c(Cl)c1 5210280 BFPMKJWDZWGNSH-UHFFFAOYSA-N 331.778 4.166 0 40 EIAB COCc1c(C(=O)N[C@@H]2CCCc3ccccc32)oc2ccccc12 5442807 CPZLOPSVENLDSL-GOSISDBHSA-N 335.403 4.387 0 40 EIAB CC[C@@H](C)N[C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5476278 SYOCBNWEFSCYBH-DNVCBOLYSA-N 349.430 4.495 0 40 EIAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)NCc1cccs1 5498275 WPCDGXAJLDUINF-UHFFFAOYSA-N 336.416 4.078 0 40 EIAB CC[C@H](C)N(CCNc1cc(OC)cc2cccnc12)CC(C)C 5846379 KQFSDLYYUUBGSE-INIZCTEOSA-N 329.488 4.412 0 40 EIAB COc1ccc(OC)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 6945838 IMJBVDWBUIEPSP-UHFFFAOYSA-N 338.407 4.147 0 40 EIAB biogenic CCCc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 8392270 ONZSYHKXLYXRPC-UHFFFAOYSA-N 343.239 4.024 0 40 EIAB O=C1CCc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2N1 9134366 QIYRZXLXMLNVPR-UHFFFAOYSA-N 335.190 4.130 0 40 EIAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10111742 MOKLAUSCDLQRQL-OAHLLOKOSA-N 341.451 4.249 0 40 EIAB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1F 12609766 XADKVBFCGIMRTR-UHFFFAOYSA-N 330.790 4.254 0 40 EIAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)[nH]c2ccccc12 12731972 PCOMOVJGHVJRJS-UHFFFAOYSA-N 333.174 4.087 0 40 EIAB CC(C)[C@@H](NC(=O)CSc1ccccc1C(=O)O)c1cccs1 12916957 XTDRUFBEWSOALI-MRXNPFEDSA-N 349.477 4.052 0 40 EIAB CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)c1cccs1 12927007 UTDYTOYCPJWNMY-CYBMUJFWSA-N 330.453 4.020 0 40 EIAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1C 13669276 BXHAHVROMMOJMK-FMIVXFBMSA-N 343.810 4.477 0 40 EIAB Cn1c(Cl)cnc1CN1CCC[C@H]1c1nc2ccccc2s1 14670808 PWSNBYJWHGVQRI-LBPRGKRZSA-N 332.860 4.020 0 40 EIAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1F 15092518 CUWVYAPUJGTCNK-CYBMUJFWSA-N 327.399 4.204 0 40 EIAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 17072295 IDNGCYIMAWTMQX-FMSGJZPZSA-N 347.480 4.034 0 40 EIAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1 20141915 MDUPQHJPPRJTGH-CYBMUJFWSA-N 327.380 4.123 0 40 EIAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20141921 XYMRMGSGVWDREI-NSHDSACASA-N 347.798 4.468 0 40 EIAB Cc1cccc(OCCNC(=O)CSCc2cccc(Cl)c2)c1 23733513 UQXHBHMDLPMCQF-UHFFFAOYSA-N 349.883 4.077 0 40 EIAB O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)c1cnccn1 24828326 KJRKQBDHYXEFDH-UHFFFAOYSA-N 343.308 4.415 0 40 EIAB O=C(NCc1cccnc1)c1cn(Cc2ccccc2)c2ccccc12 25706083 GMQXDHJYAJUMHI-UHFFFAOYSA-N 341.414 4.015 0 40 EIAB COc1cc(OC)c(NC(=O)c2ccc(CSC)o2)cc1Cl 26562065 NPRFNYSQNICFGG-UHFFFAOYSA-N 341.816 4.066 0 40 EIAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OCc2cscn2)c1 26981253 YKRJVHMJJDFKQH-CXAGYDPISA-N 330.453 4.031 0 40 EIAB Cc1cc(C(=O)NCc2ccccc2F)c(C)n1Cc1ccccc1 27080194 XAFYGMHNPFLZIL-UHFFFAOYSA-N 336.410 4.222 0 40 EIAB CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCc2ccccc21 29483314 ZSYSLPDIBGIQLC-KRWDZBQOSA-N 348.368 4.263 0 40 EIAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2C)c(C)c1 30756552 QGNOIWUQUIYSIR-SFHVURJKSA-N 325.452 4.485 0 40 EIAB O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCC1 32657955 LUDXTLJMBCGQED-UHFFFAOYSA-N 328.481 4.115 0 40 EIAB COc1ccc(F)cc1-c1csc(Cc2cn3ccccc3n2)n1 32899502 XYBUWVOPJCEMGD-UHFFFAOYSA-N 339.395 4.196 0 40 EIAB CC1(C)Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2NC1=O 46089223 BXQJSGITAJRNED-UHFFFAOYSA-N 345.786 4.094 0 40 EIAB C[C@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)n1cnc2ccccc21 46669914 RQVFGPCRBITVME-CYBMUJFWSA-N 337.423 4.239 0 40 EIAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(OC(F)F)cc1 48205298 WGBSCBLYVTZZDW-UHFFFAOYSA-N 330.290 4.195 0 40 EIAB COc1ccc(Cc2nnc(SCc3ccccc3F)o2)cc1 57805847 GYDRQUACNRFECW-UHFFFAOYSA-N 330.384 4.100 0 40 EIAB CC(=O)Nc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71760636 YDGRTJUGMIELSP-UHFFFAOYSA-N 337.807 4.246 0 40 EIAB Cc1cc(N2CCc3ccccc3C2)ncc1[C@H](O)c1ccccc1 72223893 VACZFGWRMSFLDV-JOCHJYFZSA-N 330.431 4.034 0 40 EIAB CC[C@H](NC(=O)c1ccc(C)nc1C)c1nc(C(F)(F)F)cs1 73279469 VLDFGAQDYFWYJR-NSHDSACASA-N 343.374 4.055 0 40 EIAB Cc1cc(O)ccc1NC(=O)c1ccc(Br)cc1Cl 78005163 BQBZEFJBIDZAOQ-UHFFFAOYSA-N 340.604 4.369 0 40 EIAB Cc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1C 95097109 SPHWRIZTCXDULT-UHFFFAOYSA-N 344.480 4.434 0 40 EIAB COC(=O)N(C)c1ccc(NCc2cc3cc(OC)ccc3o2)cc1 95448647 UXAKVWJHOYOKLD-UHFFFAOYSA-N 340.379 4.256 0 40 EIAB O=C1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CN2C(=O)c1ccccc1 95951747 IMEAOUHJWLFXCD-SFHLNBCPSA-N 333.431 4.054 0 40 EIAB biogenic c1ccc(OCc2nc(CN[C@H]3CCCc4occc43)cs2)cc1 95959234 CBSZGCJLTNSUFT-KRWDZBQOSA-N 340.448 4.482 0 40 EIAB CC1(C)CC(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc21 96182997 DKYCJPNBJNCDSN-CVEARBPZSA-N 334.419 4.049 0 40 EIAB O=C1COc2cc(NCc3cnc(C4CCCCC4)s3)ccc2N1 97113782 IADBAAADOOXZCY-UHFFFAOYSA-N 343.452 4.134 0 40 EIAB O=C(O)C12C[C@@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 100064538 GLJDZZQQPFAEPQ-SMPMPSDQSA-N 330.268 4.193 0 40 EIAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1 102549943 PYNLSFJIGKYLLG-VXXGZENSSA-N 345.442 4.233 0 40 EIAB COc1cc(SC)ccc1NC(=O)N1CCC[C@H]1c1cccn1C 192681044 YYBYFWLUZANWCE-INIZCTEOSA-N 345.468 4.125 0 40 EIAB CCOc1ccccc1C(=O)N1CCS[C@H](c2cccs2)CC1 219476779 GYJLLSJSUVNXBE-KRWDZBQOSA-N 347.505 4.467 0 40 EIAB Cc1cccc(CCCNC(=O)COc2ccccc2C(C)(C)C)c1 222797446 KBHTZZNJMDBJEJ-UHFFFAOYSA-N 339.479 4.420 0 40 EIAB Cc1ccc(Nc2ccc(NC(=S)NCc3ccco3)cn2)cc1 223903382 QMRJDQAVCCXEQX-UHFFFAOYSA-N 338.436 4.213 0 40 EIAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 224069789 BOQNNWQRQBKCJO-LLVKDONJSA-N 328.318 4.111 0 40 EIAB O=C(/C=C/c1ccccc1)NCc1cccc(CN2CCCCC2)c1 224643595 VISFTDUSFYJHSO-OUKQBFOZSA-N 334.463 4.002 0 40 EIAB CCOCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OCC 224701811 MVRIQXVCDWNKIB-AWEZNQCLSA-N 345.414 4.252 0 40 EIAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)OCc1ccccc1 225090008 LMHAFESFTYQDMN-HNNXBMFYSA-N 325.191 4.206 0 40 EIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H](C)c1ccccc1 225134291 CRPXPVWWDMRIRW-DLBZAZTESA-N 337.463 4.253 0 40 EIAB CCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 226347403 XELFXCVJFRYRSZ-UHFFFAOYSA-N 325.195 4.227 0 40 EIAB COc1ccc(C(=O)CCc2cccc(Br)c2)cc1OC 228929046 GWOTURRNUGLQQH-UHFFFAOYSA-N 349.224 4.282 0 40 EIAB Oc1ccc(OCCCC(F)(F)C(F)(F)Br)cc1 1083809797 KDZNNAICLYEQLQ-UHFFFAOYSA-N 331.103 4.174 0 40 EIAB O=C(O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1 266901 SKWAXTSMPNUADM-UHFFFAOYSA-N 344.370 4.303 0 40 EIAB Cc1cc2cc(C)c(SCC(=O)NCc3ccco3)nc2cc1C 412555 NCEHYJDQRHAKDJ-UHFFFAOYSA-N 340.448 4.162 0 40 EIAB Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1ccc(F)cc1 2721071 IEVFYKAVRGSADU-UHFFFAOYSA-N 342.439 4.066 0 40 EIAB C[C@@H]1CCc2c(sc3ncnc(N4CCc5ccccc5C4)c23)C1 3317291 GXORDYMNIWQHJE-CYBMUJFWSA-N 335.476 4.379 0 40 EIAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1 3391229 NVLUCTHHIVYPIM-JXMROGBWSA-N 338.403 4.060 0 40 EIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2=O)cc1 3424942 KHDLXPMLPFYZGD-UHFFFAOYSA-N 348.324 4.085 0 40 EIAB O=C(COc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 3554624 FWPJRGUZRUSPTB-UHFFFAOYSA-N 346.358 4.106 0 40 EIAB O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 3906476 NKDPPJZILRBIKK-UHFFFAOYSA-N 327.387 4.183 0 40 EIAB O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1 4119836 MHXFPSNULKNEDF-UHFFFAOYSA-N 344.867 4.014 0 40 EIAB Cc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1 5017200 ALVTVAGRYZKCSY-UHFFFAOYSA-N 329.450 4.039 0 40 EIAB FC(F)(F)C1(C(F)(F)F)OC(Cl)(Cl)C(Cl)(Cl)O1 5566464 RSNKMTZZWVFGES-UHFFFAOYSA-N 347.853 4.117 0 40 EIAB Cn1nc(C(F)(F)F)c2cc(COc3ccc(F)cc3)sc21 5943376 IZASDRSTCBOXKB-UHFFFAOYSA-N 330.306 4.372 0 40 EIAB COc1ccc(-n2c(CNc3ccccc3Cl)n[nH]c2=S)cc1 6533631 MCHVMOVXDMDWPR-UHFFFAOYSA-N 346.843 4.204 0 40 EIAB Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(C)o3)=NN2)cc1 6556707 CMOZAKAYQSXXTL-UHFFFAOYSA-N 333.366 4.469 0 40 EIAB c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 6598033 ADYNDGBDWNQGKT-PZJWPPBQSA-N 327.387 4.324 0 40 EIAB Cc1cc(C)cc(NC(=O)COCc2cc(-c3cccs3)on2)c1 6876553 UWZZUXOTSTYUKF-UHFFFAOYSA-N 342.420 4.175 0 40 EIAB COc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1 6943593 UCORRPCIYCBALM-UHFFFAOYSA-N 331.586 4.303 0 40 EIAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)CCC2 8704163 IKOCYRRVISSXAV-UHFFFAOYSA-N 333.840 4.492 0 40 EIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCC2)cc1 10358117 GNNGLRVVJJBNGI-SFHVURJKSA-N 336.479 4.034 0 40 EIAB CCOc1ccc(N[C@H](c2cccc(Cl)c2)P(=O)(O)O)cc1 12540636 JBNCAGCDLSOCGZ-HNNXBMFYSA-N 341.731 4.027 0 40 EIAB Cc1sc2nc(-c3cccnc3)nc(NCc3ccccn3)c2c1C 12558079 SPTJHTMPANVLMU-UHFFFAOYSA-N 347.447 4.377 0 40 EIAB Cc1sc2ncnc(N[C@@H](C)c3ccc4c(c3)OCO4)c2c1C 14317786 BVOPEIKOUGSCHP-JTQLQIEISA-N 327.409 4.210 0 40 EIAB CCN(CC)Cc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 16779881 OWPBLRLTNHTYAQ-UHFFFAOYSA-N 330.859 4.112 0 40 EIAB CCOCCOc1cccc(NCCOc2c(C)cccc2C)c1 19738521 KSXXNQXEWPVTCY-UHFFFAOYSA-N 329.440 4.210 0 40 EIAB COC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3F)ccc2s1 20029734 BLAFEZYLUAFKES-UHFFFAOYSA-N 347.342 4.218 0 40 EIAB CC(C)c1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 20033786 SWZDRXOSWSUTNG-UHFFFAOYSA-N 331.224 4.475 0 40 EIAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl 20107233 OIIQZDTYBUTHQM-BJMVGYQFSA-N 347.773 4.308 0 40 EIAB CCCOc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 21524335 HCIILCRGHJKXME-UHFFFAOYSA-N 336.391 4.310 0 40 EIAB O=C(Nc1cccc(CN2CCCCC2)c1)C1=Cc2ccccc2OC1 27141131 JZUNSLCWJHIMSP-UHFFFAOYSA-N 348.446 4.087 0 40 EIAB CCCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 32593356 UCZNLUKURFLALL-UHFFFAOYSA-N 341.436 4.034 0 40 EIAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818758 QFZKBEMXKLPLKY-UHFFFAOYSA-N 346.818 4.073 0 40 EIAB COc1cc(OC)c(N[C@@H](C)c2nc(C(C)C)no2)cc1Cl 40511796 SQPCGPFBBQELSE-VIFPVBQESA-N 325.796 4.037 0 40 EIAB O=C(NCc1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1 44103487 KENICADDPDIURM-UHFFFAOYSA-N 343.814 4.010 0 40 EIAB CC(C)c1ccc(-c2csc(NC(=O)c3cnns3)n2)cc1 54149347 LMAHHQRUSMGWQC-UHFFFAOYSA-N 330.438 4.037 0 40 EIAB Cc1nc(CSc2nc(NC3CC3)c3ccccc3n2)oc1C 58150730 NVLIUAOXXLCEMH-UHFFFAOYSA-N 326.425 4.101 0 40 EIAB COc1ccccc1Nc1ncccc1C(=O)N1CCC[C@H](C)CC1 65550052 HYMLLVFJKFVXIL-HNNXBMFYSA-N 339.439 4.096 0 40 EIAB C[C@@H](NC(=O)C1CCOCC1)c1ccc(Oc2ccccc2)cc1 65611916 RJJSFPGHRCDHHV-OAHLLOKOSA-N 325.408 4.083 0 40 EIAB CCCOc1ccc(-c2nn3c(-c4ccsc4)nnc3s2)cc1 66087730 IXWTZIADLBFBCO-UHFFFAOYSA-N 342.449 4.370 0 40 EIAB Cc1csc(-c2ccc(C(=O)N(C)CCC(F)(F)F)cc2)n1 69347875 MCTVJOORLIEXDU-UHFFFAOYSA-N 328.359 4.143 0 40 EIAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCCC1 72216019 ILNIIKSBZRMTSM-IBGZPJMESA-N 335.451 4.049 0 40 EIAB Cc1c(C[S@](C)=O)cccc1NC(=O)CC(C)(C)c1ccccc1 72286763 GCTWSGYXYOSXGZ-XMMPIXPASA-N 343.492 4.180 0 40 EIAB Cc1oc(-c2cccs2)nc1COc1ccccc1-c1nc[nH]n1 89548249 XYCSYGFPHBCHLK-UHFFFAOYSA-N 338.392 4.076 0 40 EIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)s1 89656378 XYRNPNFLVXPCSS-YUTCNCBUSA-N 345.468 4.078 0 40 EIAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1ccc(CO)o1 95429361 NFIIFXIGCIHSIA-UHFFFAOYSA-N 332.400 4.039 0 40 EIAB CC(C)(C)c1cc(N2CCC[C@@H]2c2ncc[nH]2)nc(C(C)(C)C)n1 95467582 KKJAQIDHHCQNGD-CYBMUJFWSA-N 327.476 4.136 0 40 EIAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccsc2)s1 96024541 DFXHGVUGMZXERP-UHFFFAOYSA-N 328.462 4.418 0 40 EIAB CCCC[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)OC 97600379 MNSHCAUDSAYQBT-GFCCVEGCSA-N 340.832 4.214 0 40 EIAB CC(C)c1ccccc1OC[C@H](O)CN1CC[C@H]2CCCC[C@@H]2C1 107451141 YHPJZFFADHNXOR-GUDVDZBRSA-N 331.500 4.062 0 40 EIAB O=C1NCCCN1c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 129572383 XZNTZBIJSPDRLO-STQMWFEESA-N 341.377 4.139 0 40 EIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc([C@H]3CCCO3)n2)cc1 136490446 SXXMXLYOCWCRLF-SCLBCKFNSA-N 344.480 4.119 0 40 EIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1C[C@@H](C)C[C@H](C)C1 216866883 IKYLGVJUUVKRAF-GJZGRUSLSA-N 337.467 4.312 0 40 EIAB CCOC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)c(C)c1 220016055 QALZGSZVWVUHSZ-UHFFFAOYSA-N 345.826 4.396 0 40 EIAB CCOc1ccccc1CCCNC(=O)Cc1cccc(Cl)c1 223075129 JZZHZBBSMFEOBB-UHFFFAOYSA-N 331.843 4.030 0 40 EIAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224185446 RTEHXHAZVIMATQ-OALUTQOASA-N 348.475 4.080 0 40 EIAB Cc1cc(C)c(C)c(OCC(=O)NCCc2ccc(Cl)cc2)c1 224266302 DMCPWFZDUFAJPH-UHFFFAOYSA-N 331.843 4.003 0 40 EIAB CC[C@@H](NC(=O)c1ccc(C)cc1C)c1ccc(OC)c(OC)c1 225196760 ORXYSMAUXVWZAK-QGZVFWFLSA-N 327.424 4.202 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccccc1F 225310184 ZQQASNUSVZNUJA-GOSISDBHSA-N 341.426 4.485 0 40 EIAB CCOc1ccc(NC(=S)NCCCc2ccc(OC)cc2)cc1 225555991 RFZVXOGHHPWRKT-UHFFFAOYSA-N 344.480 4.013 0 40 EIAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)cc1C 225599074 KLMVUHZFEJEQKW-KRWDZBQOSA-N 335.444 4.181 0 40 EIAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1 257276207 NSUGTTRRAGHRDE-MRXNPFEDSA-N 349.434 4.016 0 40 EIAB CCCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1OC 408604686 FJISSXBPWYBDPS-UHFFFAOYSA-N 349.814 4.448 0 40 EIAB C[C@@H](NC(=O)c1cnn2ccccc12)c1ccc(F)c2ccccc12 573398546 ANPQAEHDQWDFPL-CYBMUJFWSA-N 333.366 4.118 0 40 EIAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 48079 ZHUILJKDYWDYNU-UHFFFAOYSA-N 341.407 4.004 0 40 EIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 298874 JJDSUPROAPQFLB-ZWKOTPCHSA-N 337.375 4.084 0 40 EIAB Cc1ccc(CSc2nnc(CNc3ccc(F)cc3)n2C)cc1 421580 PPKWWWIUZUAECY-UHFFFAOYSA-N 342.443 4.167 0 40 EIAB CCOc1ccc(-c2cnc(NCc3ccccc3OC)n2C)cc1 819171 DVCPJDONVDMTDH-UHFFFAOYSA-N 337.423 4.107 0 40 EIAB CC(C)c1nc(SCC(=O)N2CCCC[C@@H]2C)c2ccccc2n1 1342877 UBAJZYFXHPDGMA-AWEZNQCLSA-N 343.496 4.246 0 40 EIAB NCCCCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 1873287 IHOVLTVAOHAZGH-UHFFFAOYSA-N 346.283 4.340 0 40 EIAB C[C@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)N1CCCC1 3211488 FXPQNIMLKQBNIY-YOEHRIQHSA-N 345.537 4.260 0 40 EIAB COC(=O)c1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 3296805 VOIWWRCWHCMTTC-UHFFFAOYSA-N 328.437 4.406 0 40 EIAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1 3345916 MIHQZDNVDNBWBO-HNNXBMFYSA-N 341.451 4.393 0 40 EIAB O=C(CSc1ccccc1F)Nc1cccc(Br)c1 3473625 QOQUJURNNUYVLP-UHFFFAOYSA-N 340.217 4.319 0 40 EIAB O=C(CCCc1ccccc1)Nc1nnc(Cc2ccccc2)s1 4696198 JIMLOSWORKQUON-UHFFFAOYSA-N 337.448 4.090 0 40 EIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)c2nc3ccccc3[nH]2)cc1 4953572 COXPARQKCBSHFN-UYRXBGFRSA-N 343.386 4.392 0 40 EIAB COc1ccc(C)cc1CSc1nnc(-c2ccccc2C)n1C 5319712 QARUMZBFCFTXBE-UHFFFAOYSA-N 339.464 4.400 0 40 EIAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1 5726824 RECXRKPKVBQJIB-UHFFFAOYSA-N 331.843 4.333 0 40 EIAB Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3F)[nH]c2c1 5927857 SNNOOHYVJWETAJ-LLVKDONJSA-N 329.400 4.130 0 40 EIAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc21 6328440 URRBDCYUYVQWLD-LLVKDONJSA-N 335.234 4.383 0 40 EIAB CCn1nc(C)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 6728412 KFCDPNMVRYMGNO-UHFFFAOYSA-N 333.435 4.054 0 40 EIAB O=C(COc1ccc(F)cc1Cl)Nc1ccccc1N1CCCC1 6821770 FDHSJTXORFAXMJ-UHFFFAOYSA-N 348.805 4.097 0 40 EIAB CCc1ccc(CCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 8356493 NJEVSJCCFKNDMA-HNNXBMFYSA-N 341.451 4.076 0 40 EIAB CCC(=O)N1CCCc2cc(NC(=O)c3ccccc3Cl)ccc21 8768624 FXDKFGGYLXCGKR-UHFFFAOYSA-N 342.826 4.282 0 40 EIAB O=C(Cc1ccc2ccccc2c1)NCc1ccc(OC(F)F)cc1 11509607 GARLMLIXFCIHMV-UHFFFAOYSA-N 341.357 4.300 0 40 EIAB COc1ccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1 12772421 MAPWXQIKEDYIQH-FQEVSTJZSA-N 334.419 4.083 0 40 EIAB Cc1cnc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)s1 12817264 JWISJKWQOBBBDP-UHFFFAOYSA-N 341.436 4.295 0 40 EIAB O=C(Nc1cccc2ncccc12)c1cccc(OC[C@@H]2CCCO2)c1 12973168 PGGYACUHMUAOAI-KRWDZBQOSA-N 348.402 4.045 0 40 EIAB O=c1[nH]c2ccccc2n1CCCSc1ccc(F)c(Cl)c1 13004421 DHUYVMQJMBRUBR-UHFFFAOYSA-N 336.819 4.305 0 40 EIAB O=C(O)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 13167471 BWUGRRJDKWEIEC-UHFFFAOYSA-N 349.839 4.005 0 40 EIAB Cc1ccc(CNCc2cc3cc4c(cc3nc2Cl)OCO4)cc1 13998720 FBUAWOUVBIPWHA-UHFFFAOYSA-N 340.810 4.215 0 40 EIAB CCc1cccc(C)c1NC(=O)c1ccc(OCC(F)(F)F)nc1 14104870 AWUNDRRKJQHBEG-UHFFFAOYSA-N 338.329 4.146 0 40 EIAB COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1 15662392 XKNCWDXFNUNFLB-IUODEOHRSA-N 330.453 4.127 0 40 EIAB CCOC(=O)c1c(NC(=S)N(C)CC)sc2c1[C@@H](C)CCC2 19797090 JXAHFGJYINFIAR-JTQLQIEISA-N 340.514 4.013 0 40 EIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(OC)ccc1OC 19933385 LJTLEZYGFVXLFZ-MRXNPFEDSA-N 349.814 4.153 0 40 EIAB CCOc1cccc(CNC(=O)CCCOc2ccc(Cl)cc2)c1 20494374 NOYLRSSTZBNFGM-UHFFFAOYSA-N 347.842 4.214 0 40 EIAB O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccccc1Cl 21885635 SEODZYMWIGQJKM-UHFFFAOYSA-N 342.748 4.087 0 40 EIAB Cc1ccc(CCCNC(=O)CCC(=O)c2ccc(C)s2)c(C)c1 21938060 UUBMIESCRRUEHH-UHFFFAOYSA-N 343.492 4.385 0 40 EIAB Cc1cc(C(=O)COC(=O)c2sc3cccc(F)c3c2C)c(C)[nH]1 22416711 JUTPMYRZJHTONL-UHFFFAOYSA-N 345.395 4.333 0 40 EIAB C[C@H](N[C@H](C)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl 24807892 ALAQHBOVNLNLBQ-NWDGAFQWSA-N 343.298 4.481 0 40 EIAB COc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1OC 25013187 TZEFHYNAPJMJPE-UHFFFAOYSA-N 346.433 4.141 0 40 EIAB O=C(CCc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 28303579 CIDQSNLFUBFHIW-UHFFFAOYSA-N 339.826 4.156 0 40 EIAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 29482271 VHGYWYZOMPSGHF-KRWDZBQOSA-N 348.368 4.263 0 40 EIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSc1ccccc1 30862465 DBJCTYZOCCRUEM-MRXNPFEDSA-N 343.492 4.486 0 40 EIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2)c1 40266961 VJVQWWFNWDGPQL-HNNXBMFYSA-N 349.390 4.013 0 40 EIAB COc1cc(C)c(NC(=O)c2cc3c(cc2C)OCCCO3)cc1C 46077758 GWCVCACQCPMMGL-UHFFFAOYSA-N 341.407 4.034 0 40 EIAB CC(C)c1ccc(OCCNC(=O)CCC(=O)c2cccs2)cc1 48364266 PXWMUBFYIMBQCJ-UHFFFAOYSA-N 345.464 4.030 0 40 EIAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1 51356036 UVHZUKZOQGUCRM-UHFFFAOYSA-N 339.435 4.112 0 40 EIAB COc1cc(N)c2nc(Nc3nc4cc(C)c(C)cc4o3)sc2c1 57352582 JEFHBSRVIUZTTB-UHFFFAOYSA-N 340.408 4.389 0 40 EIAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412397 KDMCRMVIIGFAKN-UHFFFAOYSA-N 329.762 4.430 0 40 EIAB O=C(Nc1cccnc1)C1(c2cccc(Br)c2)CCCC1 58146801 IJVBVPGBVIKPTN-UHFFFAOYSA-N 345.240 4.295 0 40 EIAB Cc1noc(C)c1CN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 69458398 YSEQDQGUVIJLGY-UHFFFAOYSA-N 341.238 4.189 0 40 EIAB CCN(C(C)=O)c1nc(-c2nc3c(F)cccc3n2C2CC2)cs1 69836287 SOKLMSGVOHWXGP-UHFFFAOYSA-N 344.415 4.007 0 40 EIAB CO[C@H](CNCc1cn(-c2ccccc2)nc1C(C)C)c1ccccc1 70038633 NSLQESVKPRZTRQ-OAQYLSRUSA-N 349.478 4.473 0 40 EIAB Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 72358608 MRRDXKDFGKASBF-IBGZPJMESA-N 344.462 4.227 0 40 EIAB CO[C@H](C)c1nc(C[S@@](=O)Cc2cccc3ccccc23)cs1 78987579 JGAZZQMAERCXLH-JCQPUDPBSA-N 345.489 4.453 0 40 EIAB COc1ccc(OC)c(NC(=O)N(CCC(F)(F)F)C2CCC2)c1 84716814 OGKKORBAGDGEFK-UHFFFAOYSA-N 346.349 4.043 0 40 EIAB CCCn1nccc1NC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 84759132 RZEHKICELCSIJK-YLJYHZDGSA-N 338.455 4.226 0 40 EIAB COCC[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1ccc(C)o1 95465962 OEQDXSSEFPMHCH-GOSISDBHSA-N 340.423 4.194 0 40 EIAB Cc1cc2s/c(=N\C(=O)c3ccccc3Cl)n(C)c2cc1C 101074347 RMPGSXLGEAKLNX-ZPHPHTNESA-N 330.840 4.251 0 40 EIAB Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)CCc2cccn2C)o1 176026885 OLLXMDMNGUZXPA-MAUKXSAKSA-N 343.471 4.184 0 40 EIAB C[C@@H]1CN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C[C@@H](C)O1 216840164 JUYWDRRAZKNBRW-ZIAGYGMSSA-N 340.398 4.243 0 40 EIAB CCN(CC)c1ccc(-c2nc3ncccc3o2)cc1Br 216884884 GYRRLUWXHIIAMT-UHFFFAOYSA-N 346.228 4.499 0 40 EIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1 219489785 WATZTEGJPNOCGD-CRAIPNDOSA-N 339.435 4.181 0 40 EIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3CC)N21 222718669 AJVIWDBHCLEBAW-ZTFGCOKTSA-N 340.496 4.191 0 40 EIAB CCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OCC 224692957 OZPFIXNHBAQOHL-HNNXBMFYSA-N 327.424 4.113 0 40 EIAB COc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225182325 UFTOFUWELBIHQD-UHFFFAOYSA-N 341.451 4.110 0 40 EIAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCc4ccccc4)cc3)nc2c1 225260454 BHEIPMIZTJHWCG-UHFFFAOYSA-N 341.414 4.468 0 40 EIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSC2CCCC2)c1 225753314 YPQZHMNGIGJLGD-MRXNPFEDSA-N 335.513 4.171 0 40 EIAB CC(C)c1nnc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 253406041 VFWCWYGUFZNICB-UHFFFAOYSA-N 330.438 4.037 0 40 EIAB Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2)sc1-c1ccccc1 526052385 GUNUPZINOXOFMF-MRXNPFEDSA-N 342.508 4.328 0 40 EIAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3ccoc3)o2)cc1 585148257 UUIVPAYDSCUDGS-UHFFFAOYSA-N 339.391 4.358 0 40 EIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc(-n2cccc2)cc1 585403993 MZPBHSWAKVWDKZ-UHFFFAOYSA-N 343.386 4.062 0 40 EIAB