smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 218358122 OVXAUXJNEUCHLZ-SFHVURJKSA-N 418.559 3.297 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218385627 GVIWJEOBXXBWMC-CVEARBPZSA-N 424.950 3.387 70 40 HGIB O=C(NC(c1ccccc1)c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217615265 LFWLZMYFRBWQJI-UHFFFAOYSA-N 415.497 3.128 70 40 HGIB CN(CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 218411042 LRZZDEVBFNJNQZ-UHFFFAOYSA-N 409.511 3.354 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218378086 IJIIEMVOLXAPQC-RBUKOAKNSA-N 418.559 3.350 70 40 HGIB CN1CCC(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 216950070 ZRIQEBRLNKMRIK-UHFFFAOYSA-N 421.588 3.035 70 40 HGIB COc1ccccc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O 218312463 RYMNXAHPROOLEX-UHFFFAOYSA-N 418.559 3.334 70 40 HGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218546562 NQWXLUYGUNPEPA-SFHVURJKSA-N 418.559 3.216 70 40 HGIB COC(=O)c1ccc(C(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)cc1 217487517 CMOHXPSHFRDFMV-UHFFFAOYSA-N 415.409 3.156 70 40 HGIB Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C 218368875 IPVSYKFIZPGHGI-RBUKOAKNSA-N 418.559 3.350 70 40 HGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218336193 RTFAKRRTTUAGBK-SFHVURJKSA-N 402.516 3.423 70 40 HGIB CC(C)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216884928 AYPZUZNJZFFTSF-UHFFFAOYSA-N 415.559 3.140 70 40 HGIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccs3)no2)c(OC)c1OC 218191201 MYYXFPDFIYJLQL-CSKARUKUSA-N 415.471 3.496 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3)n2)c(OC)c1 218696936 SSNMTAAYTXTFKA-UHFFFAOYSA-N 411.458 3.408 70 40 HGIB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 218546118 SGILHHIDPUOORZ-GOSISDBHSA-N 418.559 3.216 70 40 HGIB COc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 218375443 RAHQNBCONCILMU-SFHVURJKSA-N 418.559 3.216 70 40 HGIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(NS(C)(=O)=O)c1 218571069 SPVGSJHRZBUJAD-UHFFFAOYSA-N 420.878 3.034 70 40 HGIB Cn1nc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)c2c1CCC2 217903658 PERRSEUZXXBOIH-UHFFFAOYSA-N 403.438 3.451 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218548963 OZANNUMBVSPSSA-RBUKOAKNSA-N 418.559 3.350 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218582831 NAFXETIKJBKVBK-ZJOUEHCJSA-N 403.569 3.498 70 40 HGIB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(OC)c1 218598791 XTGDTFRZDLUFDP-INIZCTEOSA-N 406.504 3.265 70 40 HGIB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 218375180 NFEHKPXGHYSSRB-KRWDZBQOSA-N 406.523 3.346 70 40 HGIB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2cccnc2)on1 218282392 XVWZNYWBRMLPKL-MRXNPFEDSA-N 403.398 3.025 70 40 HGIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1NS(C)(=O)=O 218400338 ZXOCQDSKUKDQDN-UHFFFAOYSA-N 420.878 3.034 70 40 HGIB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1 104170987 DNSBSZUTKDSVDL-VIFPVBQESA-N 402.787 3.312 70 40 HGIB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 218459888 KLRMYQLKEDAHOK-MRXNPFEDSA-N 422.522 3.128 70 40 HGIB CN(CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 218347807 AMSKMZGABNQCDC-UHFFFAOYSA-N 423.538 3.378 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 218744966 IZLRRUKLYBTZRU-QGZVFWFLSA-N 422.522 3.264 70 40 HGIB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 218470663 MHJMYZWJNFNBBU-ZDUSSCGKSA-N 424.906 3.228 70 40 HGIB COCC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 216746130 FFHXPODNSDTLFG-MOPGFXCFSA-N 406.523 3.074 70 40 HGIB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1C 218772051 XRSDKUXWPGWWRI-FQEVSTJZSA-N 403.548 3.427 70 40 HGIB COc1ccccc1CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 218744212 DXYOFHNJZWKLAZ-UHFFFAOYSA-N 422.522 3.130 70 40 HGIB CCN(c1ccc(C(=O)NCCSCc2ccccc2F)cc1)S(C)(=O)=O 218778458 VHGLYLVODRYSMQ-UHFFFAOYSA-N 410.536 3.275 70 40 HGIB C=CC(=O)C(C(=O)OCC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 104240355 RSKNESXTFFQMAD-UHFFFAOYSA-N 402.430 3.471 70 40 HGIB COc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 218510779 YYQMRXIYZISZQH-UHFFFAOYSA-N 416.543 3.151 70 40 HGIB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218582895 NAFXETIKJBKVBK-IRFCIJBXSA-N 403.569 3.498 70 40 HGIB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218465652 GXHBCNCGGMNLFY-AWEZNQCLSA-N 410.923 3.162 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1 218403104 HDMCGPGYRTZMLH-QGZVFWFLSA-N 404.488 3.099 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2 218402905 CPGQOPCDENCMGU-QGZVFWFLSA-N 404.488 3.099 70 40 HGIB O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1 218186124 VCXPWFQLESTAQP-LBPRGKRZSA-N 405.467 3.357 70 40 HGIB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)cc1 217518770 OLAUHODKTOCQBC-HVZDBSBKSA-N 412.530 3.313 70 40 HGIB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(-c2cccnc2)on1 218282343 XVWZNYWBRMLPKL-INIZCTEOSA-N 403.398 3.025 70 40 HGIB Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 217871876 ZXQZEERLQJQXRZ-UHFFFAOYSA-N 424.448 3.392 70 40 HGIB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccc(Cl)cc1 218041091 TUPHKXVEHXQVHT-UHFFFAOYSA-N 424.975 3.413 70 40 HGIB C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 218459730 LWLJIWHXXTVFHK-KSSFIOAISA-N 420.506 3.399 70 40 HGIB C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O 218286611 QTKTWWLQYUUHAU-QAPCUYQASA-N 402.516 3.260 70 40 HGIB C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2ccccc2s1 217514811 JJKPRLOUUIIZSW-FQEVSTJZSA-N 419.524 3.249 70 40 HGIB COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 218366422 CYHCVWRVVCSPOH-SFHVURJKSA-N 418.559 3.216 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 218645998 NOPHFXFAMTVJGF-UHFFFAOYSA-N 401.532 3.021 70 40 HGIB O=C1CS[C@@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1 216686183 AYXQYQBHTUOMJH-KRWDZBQOSA-N 419.304 3.456 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218476986 CJHZRMSWIQMLEZ-JKSUJKDBSA-N 424.950 3.387 70 40 HGIB Nc1ccc(OCCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c(Cl)c1 104155522 LFKRJQVYDMJLTK-UHFFFAOYSA-N 400.859 3.169 70 40 HGIB O=C(NCc1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1 217443716 LGPRPUMPRPQEKW-UHFFFAOYSA-N 400.548 3.361 70 40 HGIB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 218285684 GGMHYJDULDKSDY-GOSISDBHSA-N 418.559 3.377 70 40 HGIB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 218561375 BMHPXNWBVNXWHG-UHFFFAOYSA-N 404.488 3.118 70 40 HGIB CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1 216948311 OSMMZEDANYREFJ-UHFFFAOYSA-N 408.951 3.433 70 40 HGIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 217440161 RJIRXXZCCHBEJI-SQWLQELKSA-N 409.313 3.014 70 40 HGIB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCCO2 218426747 DQHCQQSYCXKUTN-UHFFFAOYSA-N 412.467 3.016 70 40 HGIB O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 217485790 ICKGUFCMBQKDHE-UHFFFAOYSA-N 411.527 3.442 70 40 HGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O 218343041 OWRZURLPZFMAIF-QGZVFWFLSA-N 402.516 3.423 70 40 HGIB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1Cl 216862100 MWHNMUXSSZOPTG-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1NS(C)(=O)=O 216944411 NAUBIIXAEQPWBL-UHFFFAOYSA-N 417.531 3.092 70 40 HGIB COc1cccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 218546376 AEZARPODXACYDY-SFHVURJKSA-N 418.559 3.216 70 40 HGIB N#CC(C1=NC(=O)CS1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 95681899 KOHDWIUZQRMDCS-UHFFFAOYSA-N 400.443 3.348 70 40 HGIB CN(Cc1ccccc1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218436299 SFGLBMFPWZZJQR-QFIPXVFZSA-N 422.506 3.302 70 40 HGIB Cc1ccc(Cl)cc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218269737 MINAUIPJPPHMQR-UHFFFAOYSA-N 423.966 3.057 70 40 HGIB CN(CCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 218652512 QJMAEMHUGSAMFV-UHFFFAOYSA-N 423.538 3.381 70 40 HGIB CN(C)CCN(C(=O)c1ncccn1)c1nc2ccc(OC(F)(F)F)cc2s1 217462114 NSQZRVGEMYRTHI-UHFFFAOYSA-N 411.409 3.193 70 40 HGIB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217667847 XDKGWJCWCATXBZ-FQEVSTJZSA-N 408.527 3.460 70 40 HGIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cnn(-c2ccccc2)n1 217876867 WUHGBGGNSLQCGT-UHFFFAOYSA-N 404.499 3.500 70 40 HGIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 217728204 NYEDVTVEGVOBGG-UEABVUSTSA-N 420.252 3.215 70 40 HGIB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218114664 PUHGFQZAXNQWEL-IRFCIJBXSA-N 419.568 3.252 70 40 HGIB CC(C)Oc1cccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 218334250 MPUWOHIBVGUKCB-UHFFFAOYSA-N 404.532 3.232 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3)n2)c(OC)c1 218691162 SIGWRLQBLZJWGX-HNNXBMFYSA-N 411.458 3.488 70 40 HGIB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 218383246 VYBXUPZOJJYZSR-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1 216948176 MDVVXWGCJIMCSY-UHFFFAOYSA-N 408.951 3.433 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 218598061 GOVMOHIUQGJXED-GOSISDBHSA-N 418.515 3.407 70 40 HGIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1 218405568 YXZQFXJVMDMBSK-UHFFFAOYSA-N 420.878 3.034 70 40 HGIB COc1cc(CCNC(=O)c2ccc(Cl)cc2)c(S(=O)(=O)Cl)cc1OC 100027034 BSSVMTHMPFXDCS-UHFFFAOYSA-N 418.298 3.257 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 218512429 LTHIVMFXHPRXEU-GOSISDBHSA-N 416.543 3.285 70 40 HGIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C 218629287 PLVGDJXYJGOLCM-GOSISDBHSA-N 416.543 3.124 70 40 HGIB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 218366157 UTPMUFOPJJHHPY-GOSISDBHSA-N 418.559 3.216 70 40 HGIB COc1ccc(-c2noc(CNC(=O)c3ccccc3Br)n2)c(OC)c1 218223079 YEEIBTJHHFDCEA-UHFFFAOYSA-N 418.247 3.446 70 40 HGIB Cc1ccc(C(=O)NCCC2CCN(C)CC2)cc1NS(=O)(=O)c1ccccc1 216944525 RJDQQSVMZNAWPH-UHFFFAOYSA-N 415.559 3.258 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2 218568088 XHIJIQIPBAKZPH-QGZVFWFLSA-N 404.488 3.099 70 40 HGIB Cc1ccc(C)c(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 218552417 NDNVFYDFTFXJME-LJQANCHMSA-N 417.575 3.101 70 40 HGIB CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(OC)c(OC)c1 218581099 QQSRRIFEQQCKBF-MRXNPFEDSA-N 406.504 3.265 70 40 HGIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(NS(C)(=O)=O)c1 218571164 TYKIZFCWXQMBIB-UHFFFAOYSA-N 420.878 3.034 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)CC(C)(C)O2 218597892 HNRJMSXTOIEWDR-GOSISDBHSA-N 418.515 3.407 70 40 HGIB Cc1cc(C(=O)NCCCOC(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 216891898 HEHYQQXDBGCIMV-UHFFFAOYSA-N 402.516 3.345 70 40 HGIB O=C(CSCc1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217841303 CVRWPHFPGXSRAY-QGZVFWFLSA-N 409.515 3.241 70 40 HGIB COc1cc(OC)cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 217010509 PWTNEZBESQTNDJ-UHFFFAOYSA-N 400.475 3.194 70 40 HGIB COCCn1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 218007980 VGTZQJUDTWJXAB-AZUAARDMSA-N 419.525 3.028 70 40 HGIB COc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 217601988 SRGJAYPBAXKOSF-IXFSTUDKSA-N 421.541 3.271 70 40 HGIB Cn1nc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)c2c1CCC2 217904058 CXBMZPHNNOQYOU-UHFFFAOYSA-N 403.438 3.451 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218641941 VWLBDCDTFGLIRV-SFHVURJKSA-N 418.515 3.489 70 40 HGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218475370 WQINKMXQRFBNSM-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3ccsc3)n(C)n2)c1 217534249 VTEXEEUBEUYGRD-SFHVURJKSA-N 401.488 3.019 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218619803 MVOZOWQYZYTBQW-BJLQDIEVSA-N 407.532 3.383 70 40 HGIB O=S(=O)(c1cc(Cl)ccc1Cl)N1CC(n2cc(-c3ccccc3)nn2)C1 217674544 FDJFLKFTXUWMLW-UHFFFAOYSA-N 409.298 3.498 70 40 HGIB CN1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 218325373 CTQPFZHKOPLTHC-XMMPIXPASA-N 423.582 3.327 70 40 HGIB C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 218456926 BFCCXIUSQZJFMS-CQSZACIVSA-N 412.914 3.383 70 40 HGIB CCOc1ccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1F 217667962 FHDAYOSOSZBXIM-INIZCTEOSA-N 416.478 3.119 70 40 HGIB C[C@](O)(CNS(=O)(=O)c1cccc2nsnc12)c1cc2ccccc2s1 217515912 DVOGOPHUELCSQZ-KRWDZBQOSA-N 405.526 3.092 70 40 HGIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1ccc(F)cc1 218621393 ADVIXARBYWNKPL-UHFFFAOYSA-N 404.507 3.281 70 40 HGIB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216855714 LCTFXVYLFBHYMD-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218474722 QNCCSLKZHBPFHR-AWEZNQCLSA-N 412.914 3.383 70 40 HGIB C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 218456846 BFCCXIUSQZJFMS-AWEZNQCLSA-N 412.914 3.383 70 40 HGIB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1ccc(F)cc1 218744139 HAXLZGMNFVAYCX-UHFFFAOYSA-N 410.486 3.260 70 40 HGIB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1C 216869627 HNFSPKYPYWGNDF-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 218358627 PRXZYWFDFOCIKJ-ROUUACIJSA-N 404.532 3.042 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 218745016 IZLRRUKLYBTZRU-KRWDZBQOSA-N 422.522 3.264 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218378159 IJIIEMVOLXAPQC-MOPGFXCFSA-N 418.559 3.350 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218368966 SACHFVGYEIOLNO-RTBURBONSA-N 418.559 3.350 70 40 HGIB C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218387929 WAWVSAARNZKFIM-MRXNPFEDSA-N 423.966 3.137 70 40 HGIB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 216874904 MUWPHYDYALPJDJ-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CCOC(=O)c1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c(C)c1 218779402 DIFRBQWSPNAIJD-UHFFFAOYSA-N 404.488 3.210 70 40 HGIB O=C(NCCOc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1 100482188 XSELYGSDYAXSSC-UHFFFAOYSA-N 417.802 3.107 70 40 HGIB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1 218766868 VKBIDPINMCBXFN-IBGZPJMESA-N 417.575 3.410 70 40 HGIB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 218449532 HILASNDCRMRVSV-INIZCTEOSA-N 424.563 3.338 70 40 HGIB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 218469260 BHRCQCMWFZZARF-CYBMUJFWSA-N 424.906 3.228 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3)n2)c(OC)c1 218691083 SIGWRLQBLZJWGX-OAHLLOKOSA-N 411.458 3.488 70 40 HGIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2C(N)=O)cc1 218349217 OAEJTIBZGZZCND-UHFFFAOYSA-N 423.494 3.171 70 40 HGIB CSc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 216941895 UEUVPMJCJAIODS-UHFFFAOYSA-N 406.573 3.360 70 40 HGIB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1 217515668 QXGNIRIKEQGDNI-IBGZPJMESA-N 407.561 3.482 70 40 HGIB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217836705 FTPGTVJHAKJLDK-QGZVFWFLSA-N 414.469 3.412 70 40 HGIB CN1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 218325294 CTQPFZHKOPLTHC-DEOSSOPVSA-N 423.582 3.327 70 40 HGIB CCOC(=O)C(C(N)=S)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102129382 UKLVJNYVEUMEKB-UHFFFAOYSA-N 407.475 3.002 70 40 HGIB O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccsc2)cc1C1CC1 217878992 QKLVWMWUUSMORN-UHFFFAOYSA-N 408.483 3.213 70 40 HGIB CCCCc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 218432472 SINJTGZBYUJZKM-UHFFFAOYSA-N 418.515 3.205 70 40 HGIB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 218285736 GGMHYJDULDKSDY-SFHVURJKSA-N 418.559 3.377 70 40 HGIB CC[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 218763275 LAWDTXLXQCHPFW-OAQYLSRUSA-N 418.559 3.341 70 40 HGIB O=C(c1nc2ccccc2s1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217842960 TXRDYKNDSQZLCY-CYBMUJFWSA-N 406.471 3.231 70 40 HGIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3)no2)c(OC)c1OC 218190398 VSMORJGMUQOIMA-ACCUITESSA-N 409.442 3.434 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)CC(C)(C)O2 218580213 PEGJICLHMGREMB-GOSISDBHSA-N 418.515 3.407 70 40 HGIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 218336100 NEGGQMUNMDMOAU-GOSISDBHSA-N 402.516 3.423 70 40 HGIB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC1CCN(C)CC1 216944295 JHAJHVTVNJUCBD-UHFFFAOYSA-N 415.559 3.258 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218477065 CJHZRMSWIQMLEZ-CVEARBPZSA-N 424.950 3.387 70 40 HGIB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216862047 HJLPZUSQVOGTNM-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)c1ccc2c(c1)OCO2 218764107 TZOIYBLGXASQHI-INIZCTEOSA-N 418.515 3.066 70 40 HGIB COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 218274794 DMSWYBDHAFLSGT-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB COc1cccc(-c2cc(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)n(C)n2)c1 217603555 GYMWWPUDWJSUCZ-XMMPIXPASA-N 417.465 3.398 70 40 HGIB COc1cc(OC)cc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)c1 218177096 UABZTNQAOFKDGG-UHFFFAOYSA-N 413.430 3.043 70 40 HGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218375804 WFSHCHMOOZFDGU-SFHVURJKSA-N 418.559 3.216 70 40 HGIB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216855680 WADQYTZIUVHPIW-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB O=C(NCCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218436485 PJDYCFYQHUEIJZ-QFIPXVFZSA-N 422.506 3.002 70 40 HGIB CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218615988 BUUMHSSGLPSRSN-HBFSDRIKSA-N 407.532 3.383 70 40 HGIB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 217549696 DJJSFWZFBSPIGU-HNNXBMFYSA-N 417.870 3.135 70 40 HGIB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217846277 LVWNVVIMURPCRE-LBPRGKRZSA-N 418.379 3.035 70 40 HGIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 218185903 OYFGCFFJPAJJJL-COSNYCCFSA-N 401.459 3.318 70 40 HGIB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 218469330 BHRCQCMWFZZARF-ZDUSSCGKSA-N 424.906 3.228 70 40 HGIB Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1NS(C)(=O)=O 216944637 BRNSNGRNWQVPRB-UHFFFAOYSA-N 417.531 3.092 70 40 HGIB NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 218422281 GLHOTBUQCDERQU-JOCHJYFZSA-N 421.478 3.405 70 40 HGIB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1cccc(Cl)c1 218034212 PYLYIGHWXKGLHA-UHFFFAOYSA-N 424.975 3.413 70 40 HGIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(N)=O)cc1 218413477 PQAWMFPTWYGILY-UHFFFAOYSA-N 409.467 3.147 70 40 HGIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 217728132 NYEDVTVEGVOBGG-RGPZOAQRSA-N 420.252 3.215 70 40 HGIB CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(S(C)(=O)=O)cc1 218320002 QNBSZNRGEDURNL-IBGZPJMESA-N 422.506 3.471 70 40 HGIB Cc1ccc(SCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 218446390 NFYZTJPVDGKRBM-OAHLLOKOSA-N 410.536 3.197 70 40 HGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O 218342957 OWRZURLPZFMAIF-KRWDZBQOSA-N 402.516 3.423 70 40 HGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218475290 WQINKMXQRFBNSM-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218266299 YWXNZHZGEGAFIB-UHFFFAOYSA-N 406.523 3.464 70 40 HGIB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN12 217591866 UPVXRZXAZJOAQF-YDZRNGNQSA-N 412.848 3.314 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c(OC)c1 218706904 QCHBBDQZYCZVRG-CYBMUJFWSA-N 415.421 3.319 70 40 HGIB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216862738 RDHPCMCEEJKHIW-UHFFFAOYSA-N 415.559 3.054 70 40 HGIB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1 218443499 MWHZKRICWKBLLS-GOSISDBHSA-N 420.531 3.371 70 40 HGIB O=C1CS[C@@H](c2cn(Cc3ccc(Br)cc3)nn2)N1Cc1ccco1 216685286 LJSREKVXBKWISI-KRWDZBQOSA-N 419.304 3.456 70 40 HGIB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCN(c2nccs2)C1 218185940 UPIFBNAWDCQKKU-LBPRGKRZSA-N 401.941 3.000 70 40 HGIB COc1ccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC 218187088 YWDQXMSLIHVLHM-JLHYYAGUSA-N 415.486 3.492 70 40 HGIB Cn1c(C(=O)C(Cl)(Cl)Cl)cc(Br)c1S(=O)(=O)Cl 59530738 JAWJGOUUMGGJHH-UHFFFAOYSA-N 403.896 3.268 70 40 HGIB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 217474531 USJLSKUJLJCMPX-ZRNYENFQSA-N 424.884 3.184 70 40 HGIB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 218274498 BEGIJHOYLVAVPA-IRXDYDNUSA-N 404.532 3.344 70 40 HGIB COc1ncccc1C(=O)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217599766 RSYAWAWPIGQYNJ-NRFANRHFSA-N 409.530 3.376 70 40 HGIB O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217847778 BUBGTUJKIJHBMP-LLVKDONJSA-N 403.364 3.039 70 40 HGIB CC(C)Oc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]n2)cc1 218057954 CQACPCBXEVQIFL-FUHWJXTLSA-N 418.497 3.285 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1 218568189 GVDKJWNDMYVAHX-KRWDZBQOSA-N 404.488 3.099 70 40 HGIB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218277502 AMVKGUTTXKCPGZ-DLBZAZTESA-N 404.532 3.344 70 40 HGIB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218448114 LKKQLKGBVIGMBG-LLVKDONJSA-N 400.859 3.281 70 40 HGIB Cc1ccc(C)c(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 218546004 SZWYSBWTGBVFHW-QGZVFWFLSA-N 406.523 3.346 70 40 HGIB COc1cc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)ccc1OC(C)C 218577170 IKGGPDWHTJKMER-UHFFFAOYSA-N 406.504 3.092 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(F)cc3)n2)c(OC)c1 218706982 QCHBBDQZYCZVRG-ZDUSSCGKSA-N 415.421 3.319 70 40 HGIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2 218342777 IBYGZTKRNJFLSC-KRWDZBQOSA-N 402.516 3.423 70 40 HGIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCN(C)CC3)cc2Cl)cc1 217022407 LFESKDOXCNTSSW-UHFFFAOYSA-N 421.950 3.273 70 40 HGIB Cc1ccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218559040 OEKVZJSUYCYTQC-UHFFFAOYSA-N 418.559 3.353 70 40 HGIB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1 218566167 FARKNSCSKHTFEJ-ZVDOUQERSA-N 403.569 3.416 70 40 HGIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C 218629363 PLVGDJXYJGOLCM-SFHVURJKSA-N 416.543 3.124 70 40 HGIB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 218510564 GYMRMUVHBWDMEF-UHFFFAOYSA-N 404.507 3.281 70 40 HGIB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c1 216940684 XBFNZOSPXQRFHE-UHFFFAOYSA-N 415.559 3.237 70 40 HGIB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)cn1 217973884 ZQYPKRFOFVYOFZ-UHFFFAOYSA-N 412.519 3.467 70 40 HGIB COc1cccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1 217569758 WUSTVAJLTKMPTL-IXFSTUDKSA-N 421.541 3.271 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218385474 GVIWJEOBXXBWMC-HZPDHXFCSA-N 424.950 3.387 70 40 HGIB Cc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1C 218373221 WGCXYSZEPMJLID-LJQANCHMSA-N 417.575 3.101 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218369143 SACHFVGYEIOLNO-OALUTQOASA-N 418.559 3.350 70 40 HGIB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1 216875682 KSMHZHZAXQEBMU-UHFFFAOYSA-N 421.950 3.091 70 40 HGIB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)cc1 217518848 OLAUHODKTOCQBC-OREFEKLXSA-N 412.530 3.313 70 40 HGIB biogenic CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C 218420094 BVFVCWXGSVVGLH-HXUWFJFHSA-N 403.548 3.184 70 40 HGIB COc1cccc2cc(C(=O)N3CCC[C@@H](Cc4nc(-c5cnccn5)no4)C3)oc12 217837725 DZZYLAYHYBIYPC-AWEZNQCLSA-N 419.441 3.376 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3OC)n2)c(OC)c1 217969680 NMUYSRLRMNMLKX-FMIVXFBMSA-N 409.442 3.434 70 40 HGIB CN1CCC(CCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 216950148 LYFHYXHSSXNJID-UHFFFAOYSA-N 407.561 3.011 70 40 HGIB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C 218768345 QTWWGDZGSFDOPW-HXUWFJFHSA-N 421.538 3.323 70 40 HGIB CCOC[C@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218582705 NAFXETIKJBKVBK-DYXWJJEUSA-N 403.569 3.498 70 40 HGIB CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218619654 MVOZOWQYZYTBQW-HBFSDRIKSA-N 407.532 3.383 70 40 HGIB COc1ccc(Br)c(C(=O)NCCn2ccnc2-c2ccccn2)c1 217857357 VBOXGOQVGYDGFY-UHFFFAOYSA-N 401.264 3.146 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218477486 PJMKVGHHIHGZMV-HOTGVXAUSA-N 424.950 3.387 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218644214 PXFADZUSRSRSES-UHFFFAOYSA-N 414.487 3.079 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218336669 CWBLFICNGOFDMX-GOSISDBHSA-N 418.515 3.123 70 40 HGIB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 218459574 LWLJIWHXXTVFHK-KBXCAEBGSA-N 420.506 3.399 70 40 HGIB CCOc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 218294484 BFYYDWOHMRHHNV-INIZCTEOSA-N 422.522 3.128 70 40 HGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc(OC)c(OC)c(OC)c1 218130312 MFAVVNWWQSRVLQ-UHFFFAOYSA-N 403.460 3.486 70 40 HGIB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 216869281 WGCPKFBPKUTRLR-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB COc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 218510881 SQBMLOWVZUGEFC-UHFFFAOYSA-N 416.543 3.151 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 218385376 JTGIHDBCZUDSQZ-HOTGVXAUSA-N 424.950 3.387 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O 218343401 OMPYAVLJUNHKBB-QGZVFWFLSA-N 418.515 3.123 70 40 HGIB Cc1noc(-c2c(NC(=O)c3cnn(-c4ccccc4)n3)sc3c2CCOC3)n1 217962787 VOOHLGQZPVZKIP-UHFFFAOYSA-N 408.443 3.012 70 40 HGIB COc1cccc(-c2cc(C(=O)N3CCC[C@@]4(C3)OC(=O)c3ccccc34)n(C)n2)c1 217603643 GYMWWPUDWJSUCZ-DEOSSOPVSA-N 417.465 3.398 70 40 HGIB CCc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1 218307418 OUOUQAFXFCFJSK-UHFFFAOYSA-N 420.600 3.373 70 40 HGIB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1C 216940590 GHWQJPSARPYYPE-UHFFFAOYSA-N 415.559 3.237 70 40 HGIB Cc1ccc(SCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 218446473 NFYZTJPVDGKRBM-HNNXBMFYSA-N 410.536 3.197 70 40 HGIB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1 218766902 VKBIDPINMCBXFN-LJQANCHMSA-N 417.575 3.410 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 218512505 LTHIVMFXHPRXEU-SFHVURJKSA-N 416.543 3.285 70 40 HGIB CCOc1ccc(CCCNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 218780408 PXFJNIYWUPFXGK-UHFFFAOYSA-N 404.532 3.234 70 40 HGIB O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccc(OC(F)(F)F)cc1 217892582 FOXJBGYCKZVVMS-UHFFFAOYSA-N 417.434 3.489 70 40 HGIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 218336026 NEGGQMUNMDMOAU-SFHVURJKSA-N 402.516 3.423 70 40 HGIB COc1ccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218744347 ZMZDLMDKEKPXMF-UHFFFAOYSA-N 422.522 3.130 70 40 HGIB CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 218441174 NOEINAATDVNJAN-UHFFFAOYSA-N 404.532 3.234 70 40 HGIB C[C@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 217516097 JFVQBNUMZNLUBO-FQEVSTJZSA-N 413.524 3.273 70 40 HGIB O=S(=O)(Cc1cccc(Cl)c1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217667402 RPJWILBOTATYPK-GOSISDBHSA-N 402.907 3.375 70 40 HGIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1NS(C)(=O)=O 218400458 ZMVXFDSTJWMEKS-UHFFFAOYSA-N 420.878 3.034 70 40 HGIB CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Br)cc3)cc2)CC1 216948990 FONLWBYKVJAAGN-UHFFFAOYSA-N 424.364 3.143 70 40 HGIB CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1 218419982 SQDDTEUZXLNEHK-FQEVSTJZSA-N 403.548 3.184 70 40 HGIB CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccc(C)cc2)cc1 217591757 ONUBWOOSJJPPIG-CZYKHXBRSA-N 402.494 3.393 70 40 HGIB CC(C)Sc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)cc1 217762066 NDZQWVRKUYVKJN-IRXDYDNUSA-N 400.544 3.401 70 40 HGIB CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n(-c2ccccc2)n1 217692815 TVFYJNOFAIAULH-ZWKOTPCHSA-N 402.498 3.417 70 40 HGIB O=S(=O)(Oc1cc(I)c(F)cc1Cl)C(F)(F)F 103625107 GFXAPLUBFWKTGQ-UHFFFAOYSA-N 404.506 3.312 70 40 HGIB C[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 218446763 JEXKJRJVRVMVMN-HNNXBMFYSA-N 410.536 3.030 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)CC(C)(C)O2 218397590 GNEVNYANIAGBEI-QGZVFWFLSA-N 404.488 3.099 70 40 HGIB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCC1CCN(C)CC1 216945002 BVAPWKOURBLETM-UHFFFAOYSA-N 421.607 3.021 70 40 HGIB Cc1ccc(C)c(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 218548775 ZRBZUYXCKUMQSX-RBUKOAKNSA-N 418.559 3.350 70 40 HGIB COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3)n2)c(OC)c1 217833378 WJHCRUGPAUJMBQ-UHFFFAOYSA-N 403.822 3.102 70 40 HGIB CC(C)(C)SCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 218522467 RJGVEURHMFQHJH-UHFFFAOYSA-N 404.985 3.386 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 218359021 FRUYPPMQXMQHDU-ROUUACIJSA-N 404.532 3.042 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2 218568007 XHIJIQIPBAKZPH-KRWDZBQOSA-N 404.488 3.099 70 40 HGIB O=C1OC2(CCN(S(=O)(=O)c3ccccc3Br)CC2)c2ccccc21 217547598 UWFXVKOMSINQHT-UHFFFAOYSA-N 422.300 3.300 70 40 HGIB COc1cc(CNC(=O)c2ccccc2Cl)c(S(=O)(=O)Cl)cc1OC 100027068 RJBOIAMVCVZDLG-UHFFFAOYSA-N 404.271 3.215 70 40 HGIB COCC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 216746043 FFHXPODNSDTLFG-RBUKOAKNSA-N 406.523 3.074 70 40 HGIB Cc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)Nc1cccc(C)c1C 216940534 LOFARMUCDLVVMR-UHFFFAOYSA-N 415.559 3.237 70 40 HGIB C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2s1 217505202 GLLGVBASAYTMTL-FQEVSTJZSA-N 403.525 3.089 70 40 HGIB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN12 217590618 TVDYMEYMPBZKCE-YRXWBPOGSA-N 412.848 3.314 70 40 HGIB CCOC(=O)C(C(=O)OCC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102579638 FKAQBDQGUZNLCY-UHFFFAOYSA-N 420.445 3.279 70 40 HGIB O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1 218186206 VCXPWFQLESTAQP-GFCCVEGCSA-N 405.467 3.357 70 40 HGIB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 217926222 JIDCQSUCWITNSX-UTGRISEESA-N 403.500 3.388 70 40 HGIB Cc1ccccc1CSCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 218013326 GDDBSCNJLHLOIU-UHFFFAOYSA-N 404.557 3.068 70 40 HGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1C(C)C 216862658 ZWAVKJBUARMHLK-UHFFFAOYSA-N 415.559 3.307 70 40 HGIB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217667769 XDKGWJCWCATXBZ-HXUWFJFHSA-N 408.527 3.460 70 40 HGIB Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 218548682 ZRBZUYXCKUMQSX-OALUTQOASA-N 418.559 3.350 70 40 HGIB Cc1ccc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218747189 MUFUXHXSKOEUSA-UHFFFAOYSA-N 418.559 3.353 70 40 HGIB COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1Cl 216941820 YMHOCXKSSWKPEV-UHFFFAOYSA-N 424.950 3.300 70 40 HGIB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216869216 ZEVYCGGKTOFFNZ-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CN1CCN(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 217013767 ZAKWDHVELMALSC-UHFFFAOYSA-N 401.938 3.286 70 40 HGIB Cc1cc(Cl)ccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218268762 LRNCQDLJNWCZRA-UHFFFAOYSA-N 423.966 3.057 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218616058 BUUMHSSGLPSRSN-WSTZPKSXSA-N 407.532 3.383 70 40 HGIB C[C@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 218003649 ZAEGSSCNPIFOTQ-IBGZPJMESA-N 406.360 3.414 70 40 HGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCOCC2)cc1 218077645 LXELTKDUHCVZPX-UHFFFAOYSA-N 412.515 3.293 70 40 HGIB Cc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl 218271472 PHSHGZSLFSERBS-UHFFFAOYSA-N 423.966 3.057 70 40 HGIB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 217520436 YEVPHJIBDVTKJC-MTQWNXOMSA-N 413.477 3.131 70 40 HGIB biogenic CN1CCN(c2ccc(NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)CC1 218322344 KFTPOOWYWOGXAP-UHFFFAOYSA-N 400.482 3.191 70 40 HGIB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)c1ccc2c(c1)OCO2 218765002 VJJARHTYLOWJHD-MRXNPFEDSA-N 418.515 3.066 70 40 HGIB O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccccc1Br 218187020 DYGAFPQYQQMYNH-LBPRGKRZSA-N 416.366 3.101 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 218358888 FRUYPPMQXMQHDU-ZWKOTPCHSA-N 404.532 3.042 70 40 HGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218375724 WFSHCHMOOZFDGU-GOSISDBHSA-N 418.559 3.216 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1 218403027 HDMCGPGYRTZMLH-KRWDZBQOSA-N 404.488 3.099 70 40 HGIB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1 218566084 FARKNSCSKHTFEJ-SBHAEUEKSA-N 403.569 3.416 70 40 HGIB C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 218003840 JDNPIPABFAUOHB-IBGZPJMESA-N 422.359 3.294 70 40 HGIB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216869657 YVGIXZTWZVIYCQ-UHFFFAOYSA-N 421.950 3.091 70 40 HGIB C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O 218286496 QTKTWWLQYUUHAU-CRAIPNDOSA-N 402.516 3.260 70 40 HGIB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 218552348 NDNVFYDFTFXJME-IBGZPJMESA-N 417.575 3.101 70 40 HGIB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(Cn2ccnc2)cc1 218249293 QYYCKXJJYPBHTM-FQEVSTJZSA-N 415.453 3.220 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 218385208 JTGIHDBCZUDSQZ-JKSUJKDBSA-N 424.950 3.387 70 40 HGIB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217836763 FTPGTVJHAKJLDK-KRWDZBQOSA-N 414.469 3.412 70 40 HGIB CN1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 218093912 HTYXQXXSJBKBER-HSZRJFAPSA-N 409.555 3.285 70 40 HGIB BrCCOP(OCCBr)OCCBr 143818143 CTNKMFCADRXINY-UHFFFAOYSA-N 402.845 3.448 70 40 HGIB Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 218358685 PRXZYWFDFOCIKJ-ZWKOTPCHSA-N 404.532 3.042 70 40 HGIB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 218358037 OVXAUXJNEUCHLZ-GOSISDBHSA-N 418.559 3.297 70 40 HGIB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 218274642 DJOSCKQRUFVACS-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218642149 PEBYEHFCLIEQJY-SFHVURJKSA-N 418.515 3.489 70 40 HGIB CCOc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 218294534 BFYYDWOHMRHHNV-MRXNPFEDSA-N 422.522 3.128 70 40 HGIB CC[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218289850 CKGIUHVHIFSDBA-MAUKXSAKSA-N 420.531 3.126 70 40 HGIB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1 218779300 VELWZXKNIGWPQR-UHFFFAOYSA-N 404.488 3.210 70 40 HGIB Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 218354228 PNYOFJVBUIIBGY-KRWDZBQOSA-N 404.532 3.253 70 40 HGIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1 218642779 OOZMVSJQSXCKMN-QGZVFWFLSA-N 406.504 3.347 70 40 HGIB CC(=O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cnn(C)c2)c1 217974999 RTXSBPQRMOUZBH-UHFFFAOYSA-N 422.470 3.110 70 40 HGIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 218480428 NCZVVDFKBLVKFD-KGLIPLIRSA-N 410.923 3.381 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O 218343327 OMPYAVLJUNHKBB-KRWDZBQOSA-N 418.515 3.123 70 40 HGIB COc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 218546185 SGILHHIDPUOORZ-SFHVURJKSA-N 418.559 3.216 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 218336469 CDBCQXUEOKWZIG-GOSISDBHSA-N 418.515 3.123 70 40 HGIB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C 218768425 QTWWGDZGSFDOPW-FQEVSTJZSA-N 421.538 3.323 70 40 HGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218336271 RTFAKRRTTUAGBK-GOSISDBHSA-N 402.516 3.423 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218378233 IJIIEMVOLXAPQC-OALUTQOASA-N 418.559 3.350 70 40 HGIB C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218387848 WAWVSAARNZKFIM-INIZCTEOSA-N 423.966 3.137 70 40 HGIB COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 218366347 CYHCVWRVVCSPOH-GOSISDBHSA-N 418.559 3.216 70 40 HGIB COc1ccc(OCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 217842747 XZLWWAAOEOCHSH-UHFFFAOYSA-N 418.247 3.203 70 40 HGIB COc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(C)c3)no2)c(OC)c1OC 218189705 FQAKCQKWAMZIFU-PKNBQFBNSA-N 409.442 3.400 70 40 HGIB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216856661 TXPYTILCRQVMID-UHFFFAOYSA-N 415.559 3.054 70 40 HGIB Cc1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1C 218280149 QGHYTIIJLYSBFO-UHFFFAOYSA-N 411.321 3.471 70 40 HGIB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218383115 FCAUNEIHRYYJDQ-CQSZACIVSA-N 412.914 3.383 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218385539 GVIWJEOBXXBWMC-JKSUJKDBSA-N 424.950 3.387 70 40 HGIB C[C@@](O)(CNS(=O)(=O)c1cccc2nsnc12)c1cc2ccccc2s1 217515862 DVOGOPHUELCSQZ-QGZVFWFLSA-N 405.526 3.092 70 40 HGIB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1c1nccs1 217805035 MFXDBLYMSVQTGT-AWEZNQCLSA-N 405.467 3.250 70 40 HGIB COc1ccc(CCS(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1 217513732 ZLGJPAIQFMXVRU-HXUWFJFHSA-N 405.541 3.280 70 40 HGIB CC(=O)Nc1cccc(NC(=O)CCc2c(C)[nH]c3c4ccccc4nn3c2=O)c1 218536441 KMVVLYLMOPTPBV-UHFFFAOYSA-N 403.442 3.014 70 40 HGIB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 216869145 QJTRLYSPNOZGQI-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB C[C@@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 217516024 JFVQBNUMZNLUBO-HXUWFJFHSA-N 413.524 3.273 70 40 HGIB COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 218383305 VYBXUPZOJJYZSR-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 218459800 LWLJIWHXXTVFHK-KDOFPFPSSA-N 420.506 3.399 70 40 HGIB Cc1nnsc1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217591070 ILZRRCAYCJGXBB-UHFFFAOYSA-N 404.511 3.134 70 40 HGIB Cc1cc(C)cc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 218375257 NFEHKPXGHYSSRB-QGZVFWFLSA-N 406.523 3.346 70 40 HGIB COc1ccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)c(OC)c1OC 218315509 WOAVGGFOXHFXSY-UHFFFAOYSA-N 406.438 3.142 70 40 HGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(NS(C)(=O)=O)c1C 218583007 BHXRWDRPIBDRAR-UHFFFAOYSA-N 420.516 3.140 70 40 HGIB C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 218457076 LQQSQKVBXCQVLH-CQSZACIVSA-N 412.914 3.383 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 218623078 IPSDAFXYVLUNJK-SFHVURJKSA-N 416.543 3.285 70 40 HGIB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 218554261 SJVUSYHFELCQRF-INIZCTEOSA-N 424.950 3.307 70 40 HGIB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2Cl)cc1 216940836 JVJAZOIOZVEMNR-UHFFFAOYSA-N 421.950 3.273 70 40 HGIB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1c1nccs1 217805095 MFXDBLYMSVQTGT-CQSZACIVSA-N 405.467 3.250 70 40 HGIB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 218470589 MHJMYZWJNFNBBU-CYBMUJFWSA-N 424.906 3.228 70 40 HGIB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217822624 ALDWNOLZYDRIGR-HNNXBMFYSA-N 401.532 3.469 70 40 HGIB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217846224 LVWNVVIMURPCRE-GFCCVEGCSA-N 418.379 3.035 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 218588638 BIDFTZSYNMQZLH-GOSISDBHSA-N 418.515 3.407 70 40 HGIB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c(C)c1 216874716 BEKZACWJFXNAAY-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CC[C@@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 218782746 FGBPFCZFCLZDFA-GOSISDBHSA-N 420.531 3.371 70 40 HGIB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 217656998 BEYFEKWVVRAIPI-AKHDSKFASA-N 412.848 3.314 70 40 HGIB O=C(NCCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218436564 PJDYCFYQHUEIJZ-JOCHJYFZSA-N 422.506 3.002 70 40 HGIB Cc1ccc(SCCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 218146588 WMOJOYWEYDMPMX-UHFFFAOYSA-N 404.557 3.317 70 40 HGIB CC(C)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 216881723 IDWXCLURTDLSGP-UHFFFAOYSA-N 415.559 3.140 70 40 HGIB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218383028 FCAUNEIHRYYJDQ-AWEZNQCLSA-N 412.914 3.383 70 40 HGIB COc1cc(CNC(=O)c2cccc(Cl)c2)c(S(=O)(=O)Cl)cc1OC 100027075 SDHLHGHMELULGS-UHFFFAOYSA-N 404.271 3.215 70 40 HGIB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(Cn2ccnc2)cc1 218249362 QYYCKXJJYPBHTM-HXUWFJFHSA-N 415.453 3.220 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218477325 PJMKVGHHIHGZMV-JKSUJKDBSA-N 424.950 3.387 70 40 HGIB O=[N+]([O-])c1ccc(OCCOCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 104171032 HFPBKTXHEIHVKA-UHFFFAOYSA-N 419.814 3.381 70 40 HGIB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 218459967 KLRMYQLKEDAHOK-INIZCTEOSA-N 422.522 3.128 70 40 HGIB CCOc1ccc(CNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1OCC 218777149 PAUWATTUTLFURI-UHFFFAOYSA-N 420.531 3.200 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 218623170 CWMSOUMOSALXHV-GOSISDBHSA-N 416.543 3.285 70 40 HGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(NS(C)(=O)=O)c(C)c1 218600811 CGRZRTNGSUYHCS-UHFFFAOYSA-N 420.516 3.140 70 40 HGIB CC(C)Oc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 218743794 RXJQTPWNPMVGCL-UHFFFAOYSA-N 422.522 3.476 70 40 HGIB CC[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218289929 CKGIUHVHIFSDBA-YJBOKZPZSA-N 420.531 3.126 70 40 HGIB CC(C)(C)c1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 218561040 UFILRPRYLKMKNF-UHFFFAOYSA-N 400.544 3.335 70 40 HGIB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccccc1 217571338 DGCKMEPKTUBWJY-XCLNPWKQSA-N 424.884 3.184 70 40 HGIB COc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1Cl 217668442 GWMMRHZLMYTRLV-OAHLLOKOSA-N 418.906 3.243 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218582758 NAFXETIKJBKVBK-SVFBPWRDSA-N 403.569 3.498 70 40 HGIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1S(=O)(=O)C(F)F 217888979 SIONTBGHUOOUSG-UHFFFAOYSA-N 411.455 3.038 70 40 HGIB O=C1CS[C@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1 216686231 AYXQYQBHTUOMJH-QGZVFWFLSA-N 419.304 3.456 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)c(OC)c1 217933264 HIAZBBGOBIKSEX-WEVVVXLNSA-N 423.425 3.154 70 40 HGIB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 218375366 RAHQNBCONCILMU-GOSISDBHSA-N 418.559 3.216 70 40 HGIB O=C(c1nc2ccccc2s1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217843025 TXRDYKNDSQZLCY-ZDUSSCGKSA-N 406.471 3.231 70 40 HGIB COC(=O)c1sccc1S(=O)(=O)Nc1ccsc1-c1nc(C2CC2)no1 217286903 JSURXOUKBLKUFW-UHFFFAOYSA-N 411.486 3.324 70 40 HGIB COc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 218621622 GZIHPXKRNQEYJG-UHFFFAOYSA-N 416.543 3.151 70 40 HGIB O=C(Nc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 217520517 YEVPHJIBDVTKJC-UEOMBKFZSA-N 413.477 3.131 70 40 HGIB biogenic COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218366616 DMGONDPHKODXFK-SFHVURJKSA-N 418.559 3.216 70 40 HGIB CC(=O)c1cn(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc12 218022019 ABTMXHGLBPZICU-ZWKOTPCHSA-N 403.482 3.042 70 40 HGIB CC(C)c1ccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 218264147 VRMAHVQPISNRFB-UHFFFAOYSA-N 406.523 3.464 70 40 HGIB CC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 218589245 RDOWSLBBZNKRRH-MRXNPFEDSA-N 406.504 3.265 70 40 HGIB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 216856479 RUFHEKVFLNAGMC-UHFFFAOYSA-N 415.559 3.109 70 40 HGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C 218521510 SRVYCYSPRGPUFH-GOSISDBHSA-N 416.543 3.124 70 40 HGIB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@H]2[C@H]2C=Cc3cc(Cl)ccc3N12 217369200 NSDGRSXHJPOKID-IHJKCLJMSA-N 407.853 3.364 70 40 HGIB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C 216875620 RMVJHKDOEVXXKE-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2 218343140 CZOCVFWRJMXSLW-KRWDZBQOSA-N 418.515 3.123 70 40 HGIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 218445872 SYLVIBYMJKOKLY-UHFFFAOYSA-N 415.559 3.045 70 40 HGIB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218477134 CJHZRMSWIQMLEZ-HOTGVXAUSA-N 424.950 3.387 70 40 HGIB COc1cccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 218546303 AEZARPODXACYDY-GOSISDBHSA-N 418.559 3.216 70 40 HGIB CCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1C 218779201 UAWCZOWSFFZRNE-UHFFFAOYSA-N 404.488 3.210 70 40 HGIB COc1ccc(CCS(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1 217513822 ZLGJPAIQFMXVRU-FQEVSTJZSA-N 405.541 3.280 70 40 HGIB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 217549774 DJJSFWZFBSPIGU-OAHLLOKOSA-N 417.870 3.135 70 40 HGIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 217926142 JIDCQSUCWITNSX-JQTSXJCQSA-N 403.500 3.388 70 40 HGIB O=C(CCc1ccccc1)Nc1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1 217549379 ASCWIVGRPNEZAR-VQTJNVASSA-N 414.509 3.438 70 40 HGIB CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 218589312 RDOWSLBBZNKRRH-INIZCTEOSA-N 406.504 3.265 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218616134 BUUMHSSGLPSRSN-BJLQDIEVSA-N 407.532 3.383 70 40 HGIB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1 104170991 DNSBSZUTKDSVDL-SECBINFHSA-N 402.787 3.312 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218114514 PUHGFQZAXNQWEL-SVFBPWRDSA-N 419.568 3.252 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)CC(C)(C)O2 218588405 DLXRHRZHHISHNZ-SFHVURJKSA-N 418.515 3.407 70 40 HGIB O=C(c1ccc2ncsc2c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217838277 XWTHJEPNDSRVDI-ZDUSSCGKSA-N 406.471 3.231 70 40 HGIB Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3ccc(=O)n(C)n3)C2)cs1 217650734 FDQQZKWZBSATCM-OAHLLOKOSA-N 409.515 3.067 70 40 HGIB CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccccc3Cl)cc2)CC1 216948035 USRDVZVJQLSSAG-UHFFFAOYSA-N 408.951 3.433 70 40 HGIB COc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 218510669 PLZHYTFUTCMMJB-UHFFFAOYSA-N 416.543 3.151 70 40 HGIB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C)c1 216862583 RJPYCPDEWYTKGU-UHFFFAOYSA-N 415.559 3.109 70 40 HGIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc5ccccc35)[C@H]4C2=O)no1 217720905 AXKDXJQYOWITQX-DBBLALLESA-N 401.422 3.061 70 40 HGIB C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218479767 XZPWBFYUFHIXPC-MRXNPFEDSA-N 423.966 3.137 70 40 HGIB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 218381437 RPIOKIDBEREPCM-IBGZPJMESA-N 417.575 3.101 70 40 HGIB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)c(C)c1 218771871 OWUGUWJZBFTEBI-FQEVSTJZSA-N 403.548 3.427 70 40 HGIB COc1ccc(/C=C/C(=O)NCc2ccc(OC)c(OC)c2OC)c(OC)c1OC 218184658 WWGCBBHBAWFQDD-FMIVXFBMSA-N 417.458 3.068 70 40 HGIB COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 218383428 ITQRSHHIRGZDOX-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218465562 GXHBCNCGGMNLFY-CQSZACIVSA-N 410.923 3.162 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2 218343218 CZOCVFWRJMXSLW-QGZVFWFLSA-N 418.515 3.123 70 40 HGIB CN(CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 218746286 FLMBFKXAWJKUPG-UHFFFAOYSA-N 421.538 3.015 70 40 HGIB C[C@H](SCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 218064680 SBHIUVIBBKLIGJ-HNNXBMFYSA-N 404.557 3.148 70 40 HGIB CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(OC)c(OC)c1 218581162 QQSRRIFEQQCKBF-INIZCTEOSA-N 406.504 3.265 70 40 HGIB COc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218474993 CKQJKAVIMKUETI-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O 218286438 QTKTWWLQYUUHAU-MAUKXSAKSA-N 402.516 3.260 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218369026 SACHFVGYEIOLNO-RBUKOAKNSA-N 418.559 3.350 70 40 HGIB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(OC)c1 218598706 XTGDTFRZDLUFDP-MRXNPFEDSA-N 406.504 3.265 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 218597978 GOVMOHIUQGJXED-SFHVURJKSA-N 418.515 3.407 70 40 HGIB CC[C@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 218782821 FGBPFCZFCLZDFA-SFHVURJKSA-N 420.531 3.371 70 40 HGIB O=S(=O)(c1cccc2cccnc12)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217669668 GCUPBPPAVBHGOM-SFHVURJKSA-N 405.483 3.129 70 40 HGIB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218616218 BUUMHSSGLPSRSN-CMKODMSKSA-N 407.532 3.383 70 40 HGIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC3CCN(C)CC3)c2)cc1 216944097 PDMQJIJPYPQMMK-UHFFFAOYSA-N 415.559 3.258 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218619725 MVOZOWQYZYTBQW-WSTZPKSXSA-N 407.532 3.383 70 40 HGIB Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216874840 ICVIZCXNNFUZBJ-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB COCC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 216746088 FFHXPODNSDTLFG-RTBURBONSA-N 406.523 3.074 70 40 HGIB CC(C)CCNC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218055874 BWQBILQWHDLDDQ-ZWKOTPCHSA-N 422.529 3.275 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(OC)c3)n2)c(OC)c1 217881748 DCPVGZFOVYSMSV-UHFFFAOYSA-N 413.430 3.043 70 40 HGIB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 218554364 GICPFEVSFALZET-INIZCTEOSA-N 423.966 3.056 70 40 HGIB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1 218443579 MWHZKRICWKBLLS-SFHVURJKSA-N 420.531 3.371 70 40 HGIB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 217750435 HRNREQPCAKADAZ-UHFFFAOYSA-N 422.915 3.075 70 40 HGIB COc1cc(CNC(=O)c2ccc(Cl)cc2)c(S(=O)(=O)Cl)cc1OC 100027071 ZWCIELVNLRSDSJ-UHFFFAOYSA-N 404.271 3.215 70 40 HGIB CC(C)c1ccc(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 218324848 ULKYYYGWCKKBIS-UHFFFAOYSA-N 406.523 3.464 70 40 HGIB CC(=O)C(C(=O)OCCl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102129847 OULRGVIRRIABLT-UHFFFAOYSA-N 410.837 3.481 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1NS(C)(=O)=O 218397709 FZGDQIXZOBIXNZ-KRWDZBQOSA-N 404.488 3.099 70 40 HGIB O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217669588 GCUPBPPAVBHGOM-GOSISDBHSA-N 405.483 3.129 70 40 HGIB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216869249 KWORRPAADKFXEG-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 218285809 RKYLUSWBGKHPRW-GOSISDBHSA-N 418.559 3.377 70 40 HGIB COc1cccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218255193 LDJOBGPPGJRXSB-UHFFFAOYSA-N 418.559 3.334 70 40 HGIB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCN(C)CC1 216855744 PFIWWULKGSANHE-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CC(C)(C)SCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218309687 HRFDNLRHIOMJCG-UHFFFAOYSA-N 413.392 3.407 70 40 HGIB COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 218621722 QJJNRINSJUVRPE-UHFFFAOYSA-N 416.543 3.151 70 40 HGIB C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 218459650 LWLJIWHXXTVFHK-RDTXWAMCSA-N 420.506 3.399 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 218623012 IPSDAFXYVLUNJK-GOSISDBHSA-N 416.543 3.285 70 40 HGIB CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C 218420166 BVFVCWXGSVVGLH-FQEVSTJZSA-N 403.548 3.184 70 40 HGIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)CC(C)(C)O2 218588475 DLXRHRZHHISHNZ-GOSISDBHSA-N 418.515 3.407 70 40 HGIB O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217847847 BUBGTUJKIJHBMP-NSHDSACASA-N 403.364 3.039 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1 218568269 GVDKJWNDMYVAHX-QGZVFWFLSA-N 404.488 3.099 70 40 HGIB Cc1ccc(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1C 218559151 UJLIFDUSGMHIRP-UHFFFAOYSA-N 417.575 3.102 70 40 HGIB COc1ccc(CC(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cc1OC 217903227 GZZKOACUVWFOFG-UHFFFAOYSA-N 409.486 3.291 70 40 HGIB O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccccc1Br 218187108 DYGAFPQYQQMYNH-GFCCVEGCSA-N 416.366 3.101 70 40 HGIB CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1C 218763391 QGZKOYWDBDLMGV-NRFANRHFSA-N 418.559 3.341 70 40 HGIB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 218101211 KISLWAGHRASUGP-RELWKKBWSA-N 422.506 3.353 70 40 HGIB COc1cccc(CCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 218475172 KAPVVBHXXURQRP-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB O=C(N1Cc2cnc(N3CCOCC3)nc2C1)C1(c2ccc(Cl)cc2)CCCC1 217609515 WJMSCOWYJSLRRW-UHFFFAOYSA-N 412.921 3.321 70 40 HGIB CC[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218289792 CKGIUHVHIFSDBA-QAPCUYQASA-N 420.531 3.126 70 40 HGIB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 218514511 OZZREZSLKYPNLF-UHFFFAOYSA-N 415.559 3.036 70 40 HGIB COc1cccc(N2C[C@H](C(=O)NCCn3nc(-c4cccs4)cc3C)CC2=O)c1 217874025 RLTHBRJRNYGPCY-MRXNPFEDSA-N 424.526 3.098 70 40 HGIB COc1ccc(-c2noc(CNC(=O)CN3C(=O)c4cccc5cccc3c45)n2)cc1 218320521 UTMGYULHIWWXJP-UHFFFAOYSA-N 414.421 3.175 70 40 HGIB Cc1ccc(S[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 218134772 MQLGPGZLVNQIJU-HNNXBMFYSA-N 404.557 3.315 70 40 HGIB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 218274559 BEGIJHOYLVAVPA-DLBZAZTESA-N 404.532 3.344 70 40 HGIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 217834819 KJYPRNCUTCECHM-INIZCTEOSA-N 416.503 3.293 70 40 HGIB NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 218422199 GLHOTBUQCDERQU-QFIPXVFZSA-N 421.478 3.405 70 40 HGIB COc1ccc(/C=C/C(=O)NCc2nc(-c3cccs3)no2)c(OC)c1OC 218190307 POBMTCXBEDSKKY-VQHVLOKHSA-N 401.444 3.154 70 40 HGIB COc1cc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC 218186580 QQKNQSGQZMZWPV-CSKARUKUSA-N 417.458 3.068 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 218512667 QENTYKPFVYXVAX-SFHVURJKSA-N 416.543 3.285 70 40 HGIB O=S(=O)(F)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1F 1776011156 AWULPTPWVVWZPX-UHFFFAOYSA-N 412.233 3.047 70 40 HGIB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 218377802 UQRGVDHHXOPCDU-OALUTQOASA-N 418.559 3.350 70 40 HGIB COc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCCC4)cc3)n2)c(OC)c1 218610982 TUKFKAWSSVRXIZ-UHFFFAOYSA-N 422.485 3.280 70 40 HGIB Cc1ccc(C(=O)NCCC2CCN(C)CC2)cc1S(=O)(=O)N1CCCCCC1 216942787 IIUNECLOEOAURZ-UHFFFAOYSA-N 421.607 3.021 70 40 HGIB COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1OC 218189822 ASNVHOLLUCPKIW-ZRDIBKRKSA-N 409.442 3.400 70 40 HGIB COc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 218621503 LXLYVABCCIQLEU-UHFFFAOYSA-N 416.543 3.151 70 40 HGIB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)cc1Cl 217764672 QPMGPDFRWIOFCZ-PBWFPOADSA-N 411.285 3.043 70 40 HGIB COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O 218266536 HKOVDYALZYQQLS-UHFFFAOYSA-N 402.944 3.344 70 40 HGIB CCOc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1OCC 218439205 DLHOXENHBAQIDN-UHFFFAOYSA-N 420.531 3.200 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218336579 CWBLFICNGOFDMX-SFHVURJKSA-N 418.515 3.123 70 40 HGIB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217515759 QXGNIRIKEQGDNI-LJQANCHMSA-N 407.561 3.482 70 40 HGIB COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 218383494 ITQRSHHIRGZDOX-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O 218286549 QTKTWWLQYUUHAU-YJBOKZPZSA-N 402.516 3.260 70 40 HGIB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218448177 LKKQLKGBVIGMBG-NSHDSACASA-N 400.859 3.281 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218477411 PJMKVGHHIHGZMV-CVEARBPZSA-N 424.950 3.387 70 40 HGIB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1 218680999 SGTZDRACELCGGV-GFCCVEGCSA-N 417.849 3.491 70 40 HGIB COc1cc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl 218230712 FENJABDMHKPADL-UHFFFAOYSA-N 412.895 3.070 70 40 HGIB COc1cccc(CCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 218375614 IIFVCIXKCYMTJK-SFHVURJKSA-N 418.559 3.216 70 40 HGIB O=c1cccc2n1C[C@@H]1C[C@H]2CN([C@H](c2ccccc2)c2nnnn2-c2ccccc2)C1 217384146 MTAIYTIOQSSQHB-LJFZDNNRSA-N 424.508 3.033 70 40 HGIB CC(C)(C)c1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 218561914 CHWGHTDQRTXTPF-UHFFFAOYSA-N 424.588 3.393 70 40 HGIB CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1 218419904 SQDDTEUZXLNEHK-HXUWFJFHSA-N 403.548 3.184 70 40 HGIB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1 218565997 FARKNSCSKHTFEJ-ZJOUEHCJSA-N 403.569 3.416 70 40 HGIB COc1ccc(-c2noc(CNC(=O)c3ccc(Br)cc3)n2)c(OC)c1 217870926 WWRBGJZVOWTPRJ-UHFFFAOYSA-N 418.247 3.446 70 40 HGIB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 218003756 JDNPIPABFAUOHB-LJQANCHMSA-N 422.359 3.294 70 40 HGIB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1cc(C)ccc1C)c1ccc2c(c1)OCO2 218764132 TZOIYBLGXASQHI-MRXNPFEDSA-N 418.515 3.066 70 40 HGIB CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 218763311 LAWDTXLXQCHPFW-NRFANRHFSA-N 418.559 3.341 70 40 HGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218383687 NSVVLTJQNDQTJE-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1NS(C)(=O)=O 218397792 FZGDQIXZOBIXNZ-QGZVFWFLSA-N 404.488 3.099 70 40 HGIB CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1F 217668043 FHDAYOSOSZBXIM-MRXNPFEDSA-N 416.478 3.119 70 40 HGIB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)c(C)c1 218771792 OWUGUWJZBFTEBI-HXUWFJFHSA-N 403.548 3.427 70 40 HGIB Cc1ccc(C(=O)NCCCOc2ccc(N)cc2Cl)cc1S(=O)(=O)F 104154972 CHEMKHLSHXWIGE-UHFFFAOYSA-N 400.859 3.088 70 40 HGIB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCN(c2nccs2)C1 218195206 DFLLPXMYBVLIFW-CQSZACIVSA-N 419.494 3.498 70 40 HGIB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cccc(-n2cccn2)c1 218281976 XXPQEXTYJIDBGG-LJQANCHMSA-N 401.426 3.161 70 40 HGIB CCOc1ccccc1CCCNC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 218778880 WDHDBXNRLANBEZ-UHFFFAOYSA-N 404.532 3.234 70 40 HGIB CCCOc1ccccc1CCCNC(=O)c1ccccc1N(C)S(C)(=O)=O 218342086 QQMDTGSEEYMWLB-UHFFFAOYSA-N 404.532 3.234 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)CC(C)(C)O2 218597801 HNRJMSXTOIEWDR-SFHVURJKSA-N 418.515 3.407 70 40 HGIB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)c1 217926694 AXPBICYPTPLNQT-PKNBQFBNSA-N 409.442 3.434 70 40 HGIB CCOc1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OCC 218586430 CFWJUNBWDJELQT-UHFFFAOYSA-N 406.504 3.094 70 40 HGIB Cc1ccc(C)c(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 218747257 RQTXDGYRLQTXFW-UHFFFAOYSA-N 417.575 3.102 70 40 HGIB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1Cl 216855779 LGLXLJSDEMEFHJ-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB COc1ccc(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC 217021375 ICSZLCVKFQNUFE-UHFFFAOYSA-N 412.530 3.426 70 40 HGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(Cl)c1C 216862075 WIXWHAJWOOUKEF-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCOc1ccc(Cl)cc1 218734659 FVLHCYYZRHJVSE-UHFFFAOYSA-N 422.934 3.339 70 40 HGIB COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1OC(C)C 218594454 KYYOCLZIGKYLQQ-UHFFFAOYSA-N 406.504 3.092 70 40 HGIB COc1cccc(-c2noc(CNC(=O)CN3C(=O)c4cccc5cccc3c45)n2)c1 218320409 BTOODIGFXCRDQH-UHFFFAOYSA-N 414.421 3.175 70 40 HGIB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 218545934 SZWYSBWTGBVFHW-KRWDZBQOSA-N 406.523 3.346 70 40 HGIB Cc1ccccc1-c1noc(C[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 217834895 KJYPRNCUTCECHM-MRXNPFEDSA-N 416.503 3.293 70 40 HGIB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 218554441 GICPFEVSFALZET-MRXNPFEDSA-N 423.966 3.056 70 40 HGIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1 218405679 RAVSIXMNHFXJHR-UHFFFAOYSA-N 420.878 3.034 70 40 HGIB Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 218366044 BMSMAFZQYTZIPB-QGZVFWFLSA-N 406.523 3.346 70 40 HGIB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 218484011 POFLQXKCXXNKNV-GFCCVEGCSA-N 424.906 3.344 70 40 HGIB COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 218366245 UTPMUFOPJJHHPY-SFHVURJKSA-N 418.559 3.216 70 40 HGIB CCOc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 216938355 KMLFWGHWWOGHHG-UHFFFAOYSA-N 404.532 3.037 70 40 HGIB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCN(C)CC3)c2)cc1 217021816 UUBFNYNBHZEMKO-UHFFFAOYSA-N 421.950 3.273 70 40 HGIB CC(C)c1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218248357 IEKSDSUCBGNHMW-UHFFFAOYSA-N 417.575 3.219 70 40 HGIB COc1cc(CCNC(=O)c2cccc(Cl)c2)c(S(=O)(=O)Cl)cc1OC 100027031 DUEISDYVJPGYJV-UHFFFAOYSA-N 418.298 3.257 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218745140 HRGKMJQMUFINMS-KRWDZBQOSA-N 422.522 3.264 70 40 HGIB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216843964 ZYKJSTVLZZFANH-UHFFFAOYSA-N 421.526 3.153 70 40 HGIB O=C(CSCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217841382 CVRWPHFPGXSRAY-KRWDZBQOSA-N 409.515 3.241 70 40 HGIB Cc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1C 218373149 WGCXYSZEPMJLID-IBGZPJMESA-N 417.575 3.101 70 40 HGIB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 218225609 XCPZWBNWFSKVLO-UHFFFAOYSA-N 408.479 3.322 70 40 HGIB COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 218507205 YYZSPGIIPZWSDV-UHFFFAOYSA-N 402.516 3.060 70 40 HGIB CC[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1C 218763366 QGZKOYWDBDLMGV-OAQYLSRUSA-N 418.559 3.341 70 40 HGIB C[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 218446835 JEXKJRJVRVMVMN-OAHLLOKOSA-N 410.536 3.030 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 218358950 FRUYPPMQXMQHDU-MSOLQXFVSA-N 404.532 3.042 70 40 HGIB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 218274762 DMSWYBDHAFLSGT-HNNXBMFYSA-N 424.950 3.252 70 40 HGIB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 217590526 TVDYMEYMPBZKCE-AKHDSKFASA-N 412.848 3.314 70 40 HGIB Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCC1 218509729 UKXOHXYADWOSNC-UHFFFAOYSA-N 416.543 3.497 70 40 HGIB COc1cc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ccc1OC(C)C 218586528 ITHSKRWTHFPQET-UHFFFAOYSA-N 406.504 3.092 70 40 HGIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2cccc(Br)c2)nn1 216758391 BTMLXUHGAMXONP-SFHVURJKSA-N 412.291 3.310 70 40 HGIB O=S(=O)(Cc1cccc(Cl)c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217667482 RPJWILBOTATYPK-SFHVURJKSA-N 402.907 3.375 70 40 HGIB C[C@@H](SCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 218064609 SBHIUVIBBKLIGJ-OAHLLOKOSA-N 404.557 3.148 70 40 HGIB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1 218681069 SGTZDRACELCGGV-LBPRGKRZSA-N 417.849 3.491 70 40 HGIB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218114440 PUHGFQZAXNQWEL-DYXWJJEUSA-N 419.568 3.252 70 40 HGIB Cn1nc(CN(Cc2ccco2)C(=O)Cn2c(=O)oc3ccccc32)cc1C1CC1 217895884 NREYRIBYQZJPRS-UHFFFAOYSA-N 406.442 3.027 70 40 HGIB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218277439 AMVKGUTTXKCPGZ-IRXDYDNUSA-N 404.532 3.344 70 40 HGIB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 218417933 IAHAVBLGWPYHNJ-UHFFFAOYSA-N 417.531 3.260 70 40 HGIB CC(C)Oc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 218334351 IMJDGMNXNUCEFM-UHFFFAOYSA-N 404.532 3.232 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)c(OC)c1 217833608 OVNQWSYVXLYDGX-UHFFFAOYSA-N 417.849 3.445 70 40 HGIB COc1cccc(CCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 218375532 IIFVCIXKCYMTJK-GOSISDBHSA-N 418.559 3.216 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 218385300 JTGIHDBCZUDSQZ-CVEARBPZSA-N 424.950 3.387 70 40 HGIB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 218377879 UQRGVDHHXOPCDU-RBUKOAKNSA-N 418.559 3.350 70 40 HGIB COc1cccc(-c2cc(C(=O)NCCn3ccc(-c4ccsc4)n3)n(C)n2)c1 217888870 XZGXOKAIQRPOQK-UHFFFAOYSA-N 407.499 3.451 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218642046 PEBYEHFCLIEQJY-GOSISDBHSA-N 418.515 3.489 70 40 HGIB O=C(c1ccc2ncsc2c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217838206 XWTHJEPNDSRVDI-CYBMUJFWSA-N 406.471 3.231 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 218638678 MFJIGOVXVQZLDS-UHFFFAOYSA-N 406.504 3.174 70 40 HGIB CCCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218335068 PMNNBGLHRVSFAT-UHFFFAOYSA-N 404.532 3.234 70 40 HGIB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 216874782 HBBGFZIRNPUJJX-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB Cc1ccc(S[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 218134854 MQLGPGZLVNQIJU-OAHLLOKOSA-N 404.557 3.315 70 40 HGIB COc1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)nc2)cc1 217549260 FDAHOMGKOCPXGM-FUHWJXTLSA-N 416.481 3.128 70 40 HGIB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1C 216874964 QJORZDZZRWRDID-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c(C)c1 216940977 RQZCFKRAFMJEAU-UHFFFAOYSA-N 415.559 3.237 70 40 HGIB O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 218243047 SULCLMKLMRTURV-UHFFFAOYSA-N 405.398 3.009 70 40 HGIB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216869180 UPVIXRLUIDREER-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB CN1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 218093820 HTYXQXXSJBKBER-QHCPKHFHSA-N 409.555 3.285 70 40 HGIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 218483928 POFLQXKCXXNKNV-LBPRGKRZSA-N 424.906 3.344 70 40 HGIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc5ccccc35)[C@H]4C2=O)no1 217721004 AXKDXJQYOWITQX-UYOCQKMUSA-N 401.422 3.061 70 40 HGIB Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 218365965 BMSMAFZQYTZIPB-KRWDZBQOSA-N 406.523 3.346 70 40 HGIB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1C 218771981 XRSDKUXWPGWWRI-HXUWFJFHSA-N 403.548 3.427 70 40 HGIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1 218642864 OOZMVSJQSXCKMN-KRWDZBQOSA-N 406.504 3.347 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218745085 HRGKMJQMUFINMS-QGZVFWFLSA-N 422.522 3.264 70 40 HGIB COc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1Cl 218271530 SHRWGZIHNVKMLJ-UHFFFAOYSA-N 402.944 3.344 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 218512601 QENTYKPFVYXVAX-GOSISDBHSA-N 416.543 3.285 70 40 HGIB O=C1CS[C@H](c2cn(Cc3cccc(Br)c3)nn2)N1Cc1ccco1 216685104 YOEPKLVPQMZSJD-QGZVFWFLSA-N 419.304 3.456 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218385699 GVIWJEOBXXBWMC-HOTGVXAUSA-N 424.950 3.387 70 40 HGIB CN(Cc1ccccc1)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218436380 SFGLBMFPWZZJQR-JOCHJYFZSA-N 422.506 3.302 70 40 HGIB COc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 218475091 KAPVVBHXXURQRP-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 218341692 XBGJKKLZEZVYPQ-UHFFFAOYSA-N 404.532 3.232 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1C 218580339 QAZRSPBGJHJJCM-SFHVURJKSA-N 418.515 3.407 70 40 HGIB COc1cccc(N2C[C@@H](C(=O)NCCn3nc(-c4cccs4)cc3C)CC2=O)c1 217874113 RLTHBRJRNYGPCY-INIZCTEOSA-N 424.526 3.098 70 40 HGIB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1 218768235 SGZFWXYLWRUMRS-FQEVSTJZSA-N 421.538 3.323 70 40 HGIB COc1cccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 218744276 CKLRXXIIVPRAGG-UHFFFAOYSA-N 422.522 3.130 70 40 HGIB CCN(c1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1)S(C)(=O)=O 218777252 AMIKPRODWQFEQN-UHFFFAOYSA-N 420.531 3.198 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218476904 CJHZRMSWIQMLEZ-HZPDHXFCSA-N 424.950 3.387 70 40 HGIB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2cccc(Br)c2)nn1 216758441 BTMLXUHGAMXONP-GOSISDBHSA-N 412.291 3.310 70 40 HGIB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216944173 RZCJOLMNGXKLGR-UHFFFAOYSA-N 417.531 3.092 70 40 HGIB COc1ccc(CNC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1 217443073 IQRKLHMBSDAYFE-UHFFFAOYSA-N 424.545 3.308 70 40 HGIB COc1ccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1Cl 217668348 GWMMRHZLMYTRLV-HNNXBMFYSA-N 418.906 3.243 70 40 HGIB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216869313 VEXFTCUWNCJXGF-UHFFFAOYSA-N 421.950 3.091 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218477244 PJMKVGHHIHGZMV-HZPDHXFCSA-N 424.950 3.387 70 40 HGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 218591176 JLVGJMGIVGKUOO-UHFFFAOYSA-N 420.516 3.140 70 40 HGIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)cc2)cc1 216940180 DGMPPIQVCWKUTF-UHFFFAOYSA-N 415.559 3.258 70 40 HGIB COc1cc(CCNC(=O)c2ccccc2Cl)c(S(=O)(=O)Cl)cc1OC 100027025 ZWPPIUNWFXZELN-UHFFFAOYSA-N 418.298 3.257 70 40 HGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C(C)C)cc1 216860845 KNKNULCNKUFXOV-UHFFFAOYSA-N 415.559 3.307 70 40 HGIB O=C(CCc1ccc(=O)n(Cc2ccccc2)n1)Nc1nc(-c2cccnc2)cs1 217627560 AAKOFKKMGKTNEF-UHFFFAOYSA-N 417.494 3.381 70 40 HGIB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218474808 QNCCSLKZHBPFHR-CQSZACIVSA-N 412.914 3.383 70 40 HGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218366542 DMGONDPHKODXFK-GOSISDBHSA-N 418.559 3.216 70 40 HGIB CCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OCC 218577075 GHPBZGADXCHKJB-UHFFFAOYSA-N 406.504 3.094 70 40 HGIB CC(C)c1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 218773405 MPHZEOIXSILPBR-UHFFFAOYSA-N 417.575 3.415 70 40 HGIB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3ccsc3)n(C)n2)c1 217534334 VTEXEEUBEUYGRD-GOSISDBHSA-N 401.488 3.019 70 40 HGIB C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 218003575 ZAEGSSCNPIFOTQ-LJQANCHMSA-N 406.360 3.414 70 40 HGIB COc1cccc2cc(C(=O)N3CCC[C@H](Cc4nc(-c5cnccn5)no4)C3)oc12 217837650 DZZYLAYHYBIYPC-CQSZACIVSA-N 419.441 3.376 70 40 HGIB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 218341588 CJWPCRJUXMHORQ-UHFFFAOYSA-N 404.532 3.232 70 40 HGIB O=C(c1cnn2c1CCCC2)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 217977806 TXXNRMSRZCZBHD-UHFFFAOYSA-N 412.559 3.077 70 40 HGIB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)c1ccc2c(c1)OCO2 218764962 VJJARHTYLOWJHD-INIZCTEOSA-N 418.515 3.066 70 40 HGIB CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 218286795 ROBWHECGXIUHKT-GOSISDBHSA-N 418.559 3.379 70 40 HGIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 218439301 GYQYOMCSLKUUQX-UHFFFAOYSA-N 420.531 3.198 70 40 HGIB COc1ncccc1C(=O)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217599679 RSYAWAWPIGQYNJ-OAQYLSRUSA-N 409.530 3.376 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2 218402837 CPGQOPCDENCMGU-KRWDZBQOSA-N 404.488 3.099 70 40 HGIB Cc1ccc(CSCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 218020370 CQLHZHFKAYCQAX-UHFFFAOYSA-N 404.557 3.068 70 40 HGIB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN(c2nccs2)C1 218195126 DFLLPXMYBVLIFW-AWEZNQCLSA-N 419.494 3.498 70 40 HGIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2 218342858 IBYGZTKRNJFLSC-QGZVFWFLSA-N 402.516 3.423 70 40 HGIB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216875025 WJHCQNNORKRRHN-UHFFFAOYSA-N 421.950 3.091 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 218623230 CWMSOUMOSALXHV-SFHVURJKSA-N 416.543 3.285 70 40 HGIB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)c(OC)c1 218723896 RRWMSVPDPREOAO-UHFFFAOYSA-N 411.458 3.408 70 40 HGIB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 217490127 VCTDAFFVAHRKNH-UHFFFAOYSA-N 403.685 3.020 70 40 HGIB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(F)c(F)c1)=C2C 216853192 FCDKUOSGXONVNV-UHFFFAOYSA-N 424.425 3.131 70 40 HGIB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(CC2CCOCC2)c1 218246693 WZRVRJUCHWQHSM-UHFFFAOYSA-N 403.426 3.270 70 40 HGIB CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1OCC 218638572 PQSYXWRMWIZROH-UHFFFAOYSA-N 406.504 3.176 70 40 HGIB COc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 218310684 JTUYZLLPWHBTOK-UHFFFAOYSA-N 403.287 3.407 70 40 HGIB CCCCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 218332307 ZBLMEGLWKLVBPS-UHFFFAOYSA-N 404.488 3.292 70 40 HGIB Cc1ccc(S[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 218134572 IYPYXLMOMPEUTE-KRWDZBQOSA-N 404.557 3.009 70 40 HGIB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 218505596 VTOQMPRZTYMJJD-UHFFFAOYSA-N 416.543 3.287 70 40 HGIB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218114603 PUHGFQZAXNQWEL-ZJOUEHCJSA-N 419.568 3.252 70 40 HGIB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C 218521594 SRVYCYSPRGPUFH-SFHVURJKSA-N 416.543 3.124 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 218588565 BIDFTZSYNMQZLH-SFHVURJKSA-N 418.515 3.407 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218369095 SACHFVGYEIOLNO-MOPGFXCFSA-N 418.559 3.350 70 40 HGIB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218619869 MVOZOWQYZYTBQW-CMKODMSKSA-N 407.532 3.383 70 40 HGIB COc1ccc(N([C@H](C)C(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 218274697 DJOSCKQRUFVACS-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218641857 VWLBDCDTFGLIRV-GOSISDBHSA-N 418.515 3.489 70 40 HGIB C[C@@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2s1 217505105 GLLGVBASAYTMTL-HXUWFJFHSA-N 403.525 3.089 70 40 HGIB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCN(C)CC1 216854219 QWEOUDHRMOVLOC-UHFFFAOYSA-N 415.559 3.307 70 40 HGIB CCOc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OCC 218594357 VPHWSPHOPHKOHD-UHFFFAOYSA-N 406.504 3.094 70 40 HGIB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1Cl 216940754 ZXYIVJKOWORFFX-UHFFFAOYSA-N 421.950 3.273 70 40 HGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(NS(=O)(=O)CC)cc1 218645668 VWDUEZNUMCALGR-UHFFFAOYSA-N 420.516 3.222 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)CC(C)(C)O2 218397518 GNEVNYANIAGBEI-KRWDZBQOSA-N 404.488 3.099 70 40 HGIB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1 218768162 SGZFWXYLWRUMRS-HXUWFJFHSA-N 421.538 3.323 70 40 HGIB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c1 216940638 HWQJNYBXESWJEZ-UHFFFAOYSA-N 415.559 3.237 70 40 HGIB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12 217657088 BEYFEKWVVRAIPI-YRXWBPOGSA-N 412.848 3.314 70 40 HGIB CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 218286834 ROBWHECGXIUHKT-SFHVURJKSA-N 418.559 3.379 70 40 HGIB C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2ccccc2s1 217514732 JJKPRLOUUIIZSW-HXUWFJFHSA-N 419.524 3.249 70 40 HGIB COc1ccc(-c2noc(CNC(=O)c3cc4cccc(OC)c4o3)n2)c(OC)c1 218618833 OQGKQKIEOQUUSL-UHFFFAOYSA-N 409.398 3.439 70 40 HGIB O=C1CS[C@H](c2cn(Cc3ccc(Br)cc3)nn2)N1Cc1ccco1 216685324 LJSREKVXBKWISI-QGZVFWFLSA-N 419.304 3.456 70 40 HGIB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217822546 ALDWNOLZYDRIGR-OAHLLOKOSA-N 401.532 3.469 70 40 HGIB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1 218565923 FARKNSCSKHTFEJ-DYXWJJEUSA-N 403.569 3.416 70 40 HGIB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 218285879 RKYLUSWBGKHPRW-SFHVURJKSA-N 418.559 3.377 70 40 HGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1C 218580426 QAZRSPBGJHJJCM-GOSISDBHSA-N 418.515 3.407 70 40 HGIB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 218554191 SJVUSYHFELCQRF-MRXNPFEDSA-N 424.950 3.307 70 40 HGIB Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCOCC1 218519685 DKTLVZMROBQDAE-UHFFFAOYSA-N 418.515 3.055 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218643788 JWTSNGHLPGWJKM-UHFFFAOYSA-N 420.878 3.082 70 40 HGIB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCN(c2nccs2)C1 218186019 UPIFBNAWDCQKKU-GFCCVEGCSA-N 401.941 3.000 70 40 HGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218383603 NSVVLTJQNDQTJE-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB Cc1ccc(C(=O)NCCC2CCN(C)CC2)cc1S(=O)(=O)Nc1ccccc1 216940394 LLSKSRWVTJSNHA-UHFFFAOYSA-N 415.559 3.258 70 40 HGIB COc1cccc(-c2noc(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 218129995 QRTFSLTWIOGSRL-UHFFFAOYSA-N 413.430 3.043 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218643693 PHXWCAIXUMGLGO-UHFFFAOYSA-N 420.878 3.082 70 40 HGIB CC[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218289761 CKGIUHVHIFSDBA-CRAIPNDOSA-N 420.531 3.126 70 40 HGIB O=C1CS[C@@H](c2cn(Cc3cccc(Br)c3)nn2)N1Cc1ccco1 216685060 YOEPKLVPQMZSJD-KRWDZBQOSA-N 419.304 3.456 70 40 HGIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC2CCN(C)CC2)cc1 216940251 ISXRXHPEOVLTBF-UHFFFAOYSA-N 415.559 3.258 70 40 HGIB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(OC)c1OC 216931489 PMDFGMZBOYEQNB-WUXMJOGZSA-N 411.502 3.116 70 40 HGIB C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 218457000 LQQSQKVBXCQVLH-AWEZNQCLSA-N 412.914 3.383 70 40 HGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218546496 NQWXLUYGUNPEPA-GOSISDBHSA-N 418.559 3.216 70 40 HGIB Cc1c(Cl)cccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218270552 KAWQHIDDIDUVAR-UHFFFAOYSA-N 423.966 3.057 70 40 HGIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 218385144 JTGIHDBCZUDSQZ-HZPDHXFCSA-N 424.950 3.387 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 218358803 FRUYPPMQXMQHDU-QZTJIDSGSA-N 404.532 3.042 70 40 HGIB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216862022 KOOCSTJMASCYPV-UHFFFAOYSA-N 421.950 3.145 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218548884 OZANNUMBVSPSSA-RTBURBONSA-N 418.559 3.350 70 40 HGIB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 218562014 JKPBEHDUAYTFFO-UHFFFAOYSA-N 418.515 3.160 70 40 HGIB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CN2CCOCC2)cc1 218076885 OXMHBKWAKPXVEI-UHFFFAOYSA-N 412.877 3.152 70 40 HGIB COc1ccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 218256778 APJXZTGSKAWTJW-UHFFFAOYSA-N 418.559 3.334 70 40 HGIB CC(C)c1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218421540 CDMOYDFISYLAEY-UHFFFAOYSA-N 417.575 3.172 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218549041 OZANNUMBVSPSSA-MOPGFXCFSA-N 418.559 3.350 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218644105 MZNYMBSZMUEQTL-UHFFFAOYSA-N 414.487 3.079 70 40 HGIB Cc1cc(C)cc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 218381500 RPIOKIDBEREPCM-LJQANCHMSA-N 417.575 3.101 70 40 HGIB CN(CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 218304012 POJCIKAYZTUORH-UHFFFAOYSA-N 423.538 3.378 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)CC(C)(C)O2 218580139 PEGJICLHMGREMB-SFHVURJKSA-N 418.515 3.407 70 40 HGIB Cc1nc(-c2ccccc2NC(=O)[C@H]2CCCN(c3ccc(=O)n(C)n3)C2)cs1 217650822 FDQQZKWZBSATCM-HNNXBMFYSA-N 409.515 3.067 70 40 HGIB C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218479695 XZPWBFYUFHIXPC-INIZCTEOSA-N 423.966 3.137 70 40 HGIB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216945249 LTOFWRHUOFYQJU-UHFFFAOYSA-N 417.531 3.174 70 40 HGIB Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)o1 217753361 GXECTPVFNWPGHQ-UHFFFAOYSA-N 423.796 3.072 70 40 HGIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218549107 OZANNUMBVSPSSA-OALUTQOASA-N 418.559 3.350 70 40 HGIB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCOCC4)cc3)n2)c1 218077123 LUPGELAVWQDPIV-UHFFFAOYSA-N 406.486 3.149 70 40 HGIB CC(C)CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217765592 KFRRIOCYDZSVEE-PKOBYXMFSA-N 422.529 3.275 70 40 HGIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 217921715 LTLCASPLAFCUGV-KPKJPENVSA-N 409.442 3.434 70 40 HGIB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cccc(-n2cccn2)c1 218281921 XXPQEXTYJIDBGG-IBGZPJMESA-N 401.426 3.161 70 40 HGIB Cc1ccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 218354317 PNYOFJVBUIIBGY-QGZVFWFLSA-N 404.532 3.253 70 40 HGIB Cc1ccc(S[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 218134660 IYPYXLMOMPEUTE-QGZVFWFLSA-N 404.557 3.009 70 40 HGIB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218432032 ZNEWCMIUKRGLEX-UHFFFAOYSA-N 418.515 3.294 70 40 HGIB CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(S(C)(=O)=O)cc1 218319924 QNBSZNRGEDURNL-LJQANCHMSA-N 422.506 3.471 70 40 HGIB Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C 218368788 IPVSYKFIZPGHGI-OALUTQOASA-N 418.559 3.350 70 40 HGIB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 218480500 NCZVVDFKBLVKFD-ZIAGYGMSSA-N 410.923 3.381 70 40 HGIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 218185822 OYFGCFFJPAJJJL-MYWXAZLQSA-N 401.459 3.318 70 40 HGIB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 218449453 HILASNDCRMRVSV-MRXNPFEDSA-N 424.563 3.338 70 40 HGIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 218336394 CDBCQXUEOKWZIG-SFHVURJKSA-N 418.515 3.123 70 40 HGIB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218474906 CKQJKAVIMKUETI-OAHLLOKOSA-N 424.950 3.252 70 40 HGIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218378006 IJIIEMVOLXAPQC-RTBURBONSA-N 418.559 3.350 70 40 HGIB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216856584 ANNHSKKOIZAPFO-UHFFFAOYSA-N 415.559 3.307 70 40 HGIB