smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c(Cl)c(S(=O)(=O)Cl)c1 100479633 WFVFVIXFGPYMGH-UHFFFAOYSA-N 408.089 2.123 70 40 HEIB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1 217810124 RWTADFSNUSELHS-CQSZACIVSA-N 418.519 2.292 70 40 HEIB COc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 218417047 SJZLFPHZHNVORY-UHFFFAOYSA-N 405.520 2.057 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1 218589906 YVLGJGMLSOUWFG-UHFFFAOYSA-N 416.459 2.355 70 40 HEIB O=S(=O)(c1ccccc1C(F)(F)F)N1Cc2cnc(N3CCOCC3)nc2C1 217617291 KAXNDRVDNKMJEO-UHFFFAOYSA-N 414.409 2.037 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3ccccc3NS(C)(=O)=O)n2)c1 218399143 DDRJYKPUPCNMBC-UHFFFAOYSA-N 402.432 2.047 70 40 HEIB COc1ccccc1CCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 218416923 ZIOQMYWONYVCDY-UHFFFAOYSA-N 405.520 2.057 70 40 HEIB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)c(Cl)c1 216838683 HANFCZKSUBRFDZ-UHFFFAOYSA-N 417.959 2.008 70 40 HEIB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)c(C)c1 216825746 DXFWPEUHARXDSX-SFHVURJKSA-N 407.580 2.223 70 40 HEIB C[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O 218291278 QHRRPCHDXFAWTK-LBPRGKRZSA-N 406.489 2.269 70 40 HEIB CCc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 218308912 UGKRORXEVSOOAI-UHFFFAOYSA-N 420.516 2.443 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc2c(c1)OCCO2 218431505 ZBAODOPEEAXTBU-UHFFFAOYSA-N 410.879 2.194 70 40 HEIB COc1cc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc(OC)c1OC 218334660 CRVHCOZOIMLSSM-UHFFFAOYSA-N 408.476 2.038 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1Cl 218249114 BWDVGJKGVVIUFN-UHFFFAOYSA-N 420.878 2.472 70 40 HEIB Cc1cc(Cl)ccc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216936119 MWXFWAIXSCBKAG-UHFFFAOYSA-N 401.960 2.263 70 40 HEIB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)c(F)c1 217986108 LBJFWZQDZLGGEY-BDJLRTHQSA-N 415.389 2.488 70 40 HEIB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)cc1F 217998749 XTVKHMQDKVUTAF-WFASDCNBSA-N 415.389 2.488 70 40 HEIB Cc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216883163 XLVPOVMZHNVTDE-UHFFFAOYSA-N 401.532 2.002 70 40 HEIB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C 216842792 ZJMOSHLAUDBPFG-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1NS(C)(=O)=O 218394919 SLDQPSNRWLJLLT-UHFFFAOYSA-N 408.432 2.114 70 40 HEIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 216884299 UVKGJVBKYCIONA-UHFFFAOYSA-N 413.609 2.025 70 40 HEIB CC1(C)C[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2O1 218326860 VCOIYPJCNTXSEE-HNNXBMFYSA-N 400.456 2.250 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 218323516 LLIFEQUALUAMNR-UHFFFAOYSA-N 418.450 2.267 70 40 HEIB C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 218463157 PEEYHJMFHMAQOZ-ZDUSSCGKSA-N 418.450 2.347 70 40 HEIB Cn1cc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3ccccc3Cl)CC2)cn1 217965958 UPYDTINFXRPLLS-BQYQJAHWSA-N 408.911 2.010 70 40 HEIB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(F)cccc1F 217986807 ORIOWXNDIYZMMG-IAQYHMDHSA-N 415.389 2.488 70 40 HEIB COc1cc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC 218286292 XTSNNXTVCYJOSH-CQSZACIVSA-N 422.503 2.183 70 40 HEIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)cc1F 216862490 ULOUJISFBZGDEG-UHFFFAOYSA-N 409.458 2.462 70 40 HEIB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C 216843060 NIZYIHSNGDXQDU-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 218405370 GCXAMNQRQIBGTE-UHFFFAOYSA-N 416.459 2.389 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)n2)c1 218569951 OPEIFLVFUQLZHZ-UHFFFAOYSA-N 402.432 2.047 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 218428802 CPXQQWDRPIWIPH-UHFFFAOYSA-N 410.879 2.194 70 40 HEIB Cc1ccc(C(=O)NCCCOC2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216859963 BWSUKCAPOSSMLG-UHFFFAOYSA-N 423.579 2.010 70 40 HEIB COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(C)cc1 216844551 FNGNJANEIIKHQZ-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB CN1CCC(CCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 216939018 RJXBMLKUZFXSTJ-UHFFFAOYSA-N 405.923 2.093 70 40 HEIB CN1CCC(CCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1 216936651 YOWSDAIMBMJCGX-UHFFFAOYSA-N 403.548 2.454 70 40 HEIB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217836564 BKMGEXVTUIZJFU-HNNXBMFYSA-N 416.445 2.202 70 40 HEIB COc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218279086 GSOUUYYKBJUAMP-QGZVFWFLSA-N 419.547 2.492 70 40 HEIB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218418823 PHXIAAHFMPSHKD-QGZVFWFLSA-N 405.520 2.192 70 40 HEIB CN1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 216799815 YXQIIEIWIKRUJW-UHFFFAOYSA-N 419.522 2.227 70 40 HEIB Cc1ccc(C(=O)NCCCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 216858366 OKJVTFZGZFGFAD-UHFFFAOYSA-N 415.559 2.294 70 40 HEIB CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 216839739 ZJXWEMBAKWYKKE-UHFFFAOYSA-N 415.559 2.308 70 40 HEIB O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217837141 ZFFBSKMCDDRZAM-HNNXBMFYSA-N 403.446 2.358 70 40 HEIB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218433434 ZBDMPUXRFIBTCK-MRXNPFEDSA-N 418.515 2.361 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)c1 218599420 XMGFRUFVPYKTOT-UHFFFAOYSA-N 416.459 2.355 70 40 HEIB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC2CCN(C)CC2)CC1 217018235 WIPOUIYFJPSXNF-UHFFFAOYSA-N 421.607 2.385 70 40 HEIB COC(=O)c1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217842183 WLLNKXBEMWYEPF-CQSZACIVSA-N 407.430 2.408 70 40 HEIB Cc1ccc(C)c(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218239655 QLPLKALAXMXOBL-UHFFFAOYSA-N 420.516 2.497 70 40 HEIB CC(C)Oc1cccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 218326593 JYKYUEXDFCOJFT-UHFFFAOYSA-N 416.499 2.367 70 40 HEIB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 218405267 QLMRWHIRACFOER-UHFFFAOYSA-N 416.459 2.389 70 40 HEIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(F)cc1 216864999 AUJHVOZJJWVGJU-UHFFFAOYSA-N 405.495 2.000 70 40 HEIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 218443863 KULVOAXOPJMEFM-UHFFFAOYSA-N 400.460 2.453 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)n2)cc1 218265282 SRYLMLZBHCHKPC-UHFFFAOYSA-N 418.450 2.267 70 40 HEIB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 218275680 GJSFYOSIJAAEKP-INIZCTEOSA-N 406.504 2.353 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 218337816 ILVUWHQDOFSZNZ-UHFFFAOYSA-N 400.460 2.371 70 40 HEIB CCc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(S(=O)(=O)NC)c2)cc1 216790324 GZSRNLACOAHGGN-UHFFFAOYSA-N 416.547 2.161 70 40 HEIB Cc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O 218229360 YLWBPUGDKNFUFP-UHFFFAOYSA-N 414.487 2.470 70 40 HEIB COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1C(N)=O 217516404 MTVGHEVBWREYNY-LJQANCHMSA-N 420.512 2.195 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 218262458 WEOGQBRYNZVILQ-CQSZACIVSA-N 410.467 2.184 70 40 HEIB CCOc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218259283 BTIZLTRJOWYVAO-UHFFFAOYSA-N 419.547 2.494 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 218338146 HUHRFVNFBBXDLX-UHFFFAOYSA-N 416.459 2.071 70 40 HEIB Cc1nnn([C@@]23C[C@H]4C[C@@H](C2)C[C@](C(=O)N2CCN(c5ccccn5)CC2)(C4)C3)n1 217485578 ZMOGAAXDCIPUTM-MTIDIVMFSA-N 407.522 2.021 70 40 HEIB Cc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 218228603 SWLPWLZQVVSIBQ-UHFFFAOYSA-N 400.460 2.127 70 40 HEIB COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 216882038 LSPCNRVFSWOFBW-UHFFFAOYSA-N 403.504 2.025 70 40 HEIB CC[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 218344336 JVCRCXPCQPPAKJ-KRWDZBQOSA-N 424.544 2.367 70 40 HEIB C[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O 218290309 KQCQTWVMOQHHGI-CQSZACIVSA-N 400.460 2.208 70 40 HEIB NC(=O)COc1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1 217287005 VZQFHRYKGISNCK-UHFFFAOYSA-N 420.472 2.340 70 40 HEIB O=S(=O)(c1c(F)cccc1F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217853041 LQZARCCLGXEPEA-GFCCVEGCSA-N 421.429 2.448 70 40 HEIB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(F)cc1 216888501 ZMABGZQVFGRRDW-MRXNPFEDSA-N 419.522 2.394 70 40 HEIB COc1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c(OC)c1OC 218586315 YKTMFXOLYRTLQK-UHFFFAOYSA-N 408.476 2.322 70 40 HEIB COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216861398 WROBKCUKWDMRSN-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB Cc1cccc(C)c1N(CC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O 218273092 NSBKUTGUWPGBOP-UHFFFAOYSA-N 420.516 2.497 70 40 HEIB CN1CCC(Oc2ccc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1 216943977 SSCYBFVOGILPIR-UHFFFAOYSA-N 417.531 2.461 70 40 HEIB COc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)c1OC 218283741 CDGSMVABYCJDHP-AWEZNQCLSA-N 422.503 2.183 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)c1 218344755 ZPWRRYZEGKCKLH-UHFFFAOYSA-N 416.459 2.071 70 40 HEIB O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218030409 VFTFLKYKSHYSCL-GOEBONIOSA-N 413.909 2.154 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)cc1 218231464 DKMRHSQYIZNTAY-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1 216797535 FCBYPWREKZAPIA-UHFFFAOYSA-N 415.559 2.396 70 40 HEIB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(F)ccc1F 217986432 BNECFVRLQZCASE-IUODEOHRSA-N 415.389 2.488 70 40 HEIB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1 216831565 ZPERYYAKUNWZIL-UHFFFAOYSA-N 417.531 2.385 70 40 HEIB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@H](Cc4nc(C5CC5)no4)C3)cc21 217823918 UYVHZKRWOWHDJO-GFCCVEGCSA-N 418.475 2.035 70 40 HEIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3ccccc3)S(C)(=O)=O)n2)cc1 218227066 IFZGFMNLNJKCKP-UHFFFAOYSA-N 414.487 2.470 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 218322828 JFOMFSZWFDYSEV-CQSZACIVSA-N 410.467 2.184 70 40 HEIB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCc3ccccc3)[C@H]4C2=O)no1 217717138 UARBUGLCFYZGSF-AAISOIRCSA-N 407.470 2.407 70 40 HEIB CN1CCC(Oc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 216940119 VOIDPIXQHZAZSM-UHFFFAOYSA-N 417.531 2.461 70 40 HEIB O=S(=O)(F)CCN(CCS(=O)(=O)F)CC1(c2ccccc2Cl)CC1 1615610254 GQEGBVNRKBCBOG-UHFFFAOYSA-N 401.884 2.272 70 40 HEIB COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)c1 217871355 BAYBWEBKKSLGKZ-UHFFFAOYSA-N 402.476 2.249 70 40 HEIB CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)CC1 217878492 PWQQKCLBTYJYNQ-UHFFFAOYSA-N 422.576 2.277 70 40 HEIB CC(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217806135 DSRSRMLQZUCPFX-DLBZAZTESA-N 404.470 2.407 70 40 HEIB Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216858617 APHUQHMEWHWLIT-UHFFFAOYSA-N 401.532 2.170 70 40 HEIB COc1ccccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218312578 VLTIKHLRWYYTAD-UHFFFAOYSA-N 405.520 2.104 70 40 HEIB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218433359 ZBDMPUXRFIBTCK-INIZCTEOSA-N 418.515 2.361 70 40 HEIB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1 217474716 UGYQGHZLVCKQPB-HXUWFJFHSA-N 423.448 2.208 70 40 HEIB Cc1ccc(C)c(N(CC(=O)NCCN(C)c2ccccc2)S(=O)(=O)N(C)C)c1 218766432 FOLBHYZWCKOKSD-UHFFFAOYSA-N 418.563 2.169 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)n2)cc1 218570047 DRASWMQHEHOZBY-UHFFFAOYSA-N 402.432 2.047 70 40 HEIB CN(CCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1 218763834 IJOIDVKQGRUFRJ-UHFFFAOYSA-N 419.547 2.100 70 40 HEIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 218439075 WTQYLSLKMCHRJW-UHFFFAOYSA-N 422.503 2.428 70 40 HEIB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1N1CCN(C)CC1 216793659 QZLOYHOPLOWFCS-UHFFFAOYSA-N 420.510 2.128 70 40 HEIB CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 218266142 FBOXXQIAKYLMCA-UHFFFAOYSA-N 424.479 2.362 70 40 HEIB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(F)cccc1F 217986630 ORIOWXNDIYZMMG-XHDPSFHLSA-N 415.389 2.488 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 218252139 ALADLHLFTDTQIJ-UHFFFAOYSA-N 420.878 2.472 70 40 HEIB COc1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218417138 WYGSCEAWTKNBHE-UHFFFAOYSA-N 405.520 2.057 70 40 HEIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 218754414 GKAOQUPFUAROQY-HXUWFJFHSA-N 418.515 2.386 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 218322896 JFOMFSZWFDYSEV-AWEZNQCLSA-N 410.467 2.184 70 40 HEIB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)cc1F 217998923 XTVKHMQDKVUTAF-DOMZBBRYSA-N 415.389 2.488 70 40 HEIB COc1ccc(C)cc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218267829 JYPMOQVYEWCTCW-UHFFFAOYSA-N 419.547 2.412 70 40 HEIB COc1cccc(CCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 218761970 SDQWHNSOFGPPFQ-UHFFFAOYSA-N 420.531 2.214 70 40 HEIB Cc1cc(C)cc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218241111 PGHOISSCTDFRBU-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB Cc1cc(C)nc(N2CCC[C@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2)n1 218024628 WIDNECGZKJJZKQ-GBESFXJTSA-N 407.518 2.117 70 40 HEIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccccc1 216786433 VGNOIBYKGJROQI-MRXNPFEDSA-N 417.531 2.122 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)n2)c1 218323410 MLTGITULXRGCMM-UHFFFAOYSA-N 418.450 2.267 70 40 HEIB C[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 218464152 IVBORDCMAOWEQZ-LLVKDONJSA-N 424.479 2.408 70 40 HEIB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1N1CCN(C)CC1 216790193 LKINYKMOTCTYGW-UHFFFAOYSA-N 416.547 2.216 70 40 HEIB CC(C)CCNC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)CC(=O)[C@H](C)[C@@H]13 217510927 ABSCUOCHZNHNMO-BMEWIMQZSA-N 412.486 2.243 70 40 HEIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)cc1 216787334 YQZXJAQVJHOJGS-UHFFFAOYSA-N 407.467 2.023 70 40 HEIB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218338649 CXYBKBQLLBULKX-UHFFFAOYSA-N 400.460 2.405 70 40 HEIB COc1ccc(C)cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218429675 ROAOFMISYTUHDU-UHFFFAOYSA-N 406.460 2.180 70 40 HEIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 218638469 WEQSQUQYLSZFJN-UHFFFAOYSA-N 408.476 2.404 70 40 HEIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)c(F)c1 216863427 JNGZAHFMROWRCI-UHFFFAOYSA-N 409.458 2.462 70 40 HEIB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1N1CCN(C)CC1 216790253 ZAHRZVWWVVELAT-UHFFFAOYSA-N 416.547 2.216 70 40 HEIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 218324194 VKGJPCPXZFMFAD-UHFFFAOYSA-N 418.450 2.300 70 40 HEIB COc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 218335162 IDRAIBUMTBGAKD-UHFFFAOYSA-N 406.504 2.462 70 40 HEIB COC(=O)Nc1ccc(S(=O)(=O)NCCn2ccnc2-c2ccccn2)cc1 217865399 XBDNKZJLGMRPSB-UHFFFAOYSA-N 401.448 2.102 70 40 HEIB COc1cccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 218255269 LVDVQODJONODRG-UHFFFAOYSA-N 405.520 2.104 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 218254078 JOEOISZEAFUFJW-HNNXBMFYSA-N 422.503 2.054 70 40 HEIB COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 217977709 LPTFIKBKZMAIIG-QRFQSNJMSA-N 415.490 2.054 70 40 HEIB biogenic Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC3CCN(C)CC3)CC2)cc1 217018347 HEQHIKWSLXGZHY-UHFFFAOYSA-N 421.607 2.385 70 40 HEIB C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 218449255 KHQHSDGBALITCS-HNNXBMFYSA-N 423.485 2.468 70 40 HEIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 218640162 ZVFIFDMJNIZIBK-UHFFFAOYSA-N 408.476 2.404 70 40 HEIB COc1cc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc(OC)c1OC 218578612 XIDVDOYMDYZSGK-UHFFFAOYSA-N 408.476 2.322 70 40 HEIB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 218275765 GJSFYOSIJAAEKP-MRXNPFEDSA-N 406.504 2.353 70 40 HEIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)CC1 216876305 VCBZRYJMUITWHM-PMUMKWKESA-N 411.955 2.195 70 40 HEIB COc1ccc(CN(C)C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 218260808 YUHRYKURPUKRPM-UHFFFAOYSA-N 422.503 2.137 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 218338046 JESHCSRIFVUNKD-UHFFFAOYSA-N 416.459 2.071 70 40 HEIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 218643502 GJLZCKQCKATDGR-UHFFFAOYSA-N 416.459 2.437 70 40 HEIB CCOc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 216882107 ZFVFVGCAAJTNMY-UHFFFAOYSA-N 417.531 2.415 70 40 HEIB COc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218279015 GSOUUYYKBJUAMP-KRWDZBQOSA-N 419.547 2.492 70 40 HEIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 216885799 XGUXIUYEWGBSRA-UHFFFAOYSA-N 409.458 2.294 70 40 HEIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C)cc1 216786956 KYLITVUSSMAIBR-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB CCOc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218295107 PKZLOQGGAWCMPD-KRWDZBQOSA-N 419.547 2.492 70 40 HEIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 218770701 KEKQVPFAZFTEHX-INIZCTEOSA-N 405.520 2.435 70 40 HEIB COC(=O)c1ccccc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217842245 WLLNKXBEMWYEPF-AWEZNQCLSA-N 407.430 2.408 70 40 HEIB O=C(Cc1ccc(Br)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 217612459 DVGZCSAEDYIRPB-UHFFFAOYSA-N 403.280 2.161 70 40 HEIB CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1 1129050192 WJSKLJBZUQGIIE-UHFFFAOYSA-N 422.482 2.026 70 40 HEIB COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217668150 YBAVJVWIJNDKBS-AWEZNQCLSA-N 418.500 2.429 70 40 HEIB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1 216818606 WOPUFQBLZMQXCL-NRFANRHFSA-N 415.559 2.095 70 40 HEIB Cc1ccc(C)c(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218238964 XXGFOYWAVAGOLH-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218339412 CRPHTUYTWZEJAN-UHFFFAOYSA-N 406.489 2.466 70 40 HEIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1C 216827192 CCHRREUOITVCIH-QGZVFWFLSA-N 423.579 2.005 70 40 HEIB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)c(F)c1 217985888 LBJFWZQDZLGGEY-ZBEGNZNMSA-N 415.389 2.488 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 218233953 LOUQKWKRKPWYPJ-UHFFFAOYSA-N 400.460 2.127 70 40 HEIB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 218762737 PGVKFLUORJFJSM-QGZVFWFLSA-N 420.531 2.349 70 40 HEIB CCN(c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1)S(C)(=O)=O 218783124 PBGMAQBYKLINSZ-UHFFFAOYSA-N 400.460 2.453 70 40 HEIB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(CCO)cc2)cn1 217976653 SBPTZYSQSGADIB-UHFFFAOYSA-N 424.486 2.443 70 40 HEIB O=S(=O)(CCC(F)(F)F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217855240 PWMZQLVYABRRAJ-LLVKDONJSA-N 405.402 2.063 70 40 HEIB Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 216867520 RZGGXROXHSYWNR-UHFFFAOYSA-N 415.559 2.294 70 40 HEIB COc1ccc(C)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216883655 KAPIZJBVEMNCOV-UHFFFAOYSA-N 417.531 2.333 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1cccc(Cl)c1 218250559 UPOAJSSSWKQCAJ-UHFFFAOYSA-N 420.878 2.472 70 40 HEIB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 217697438 ZUPMVPKHBLLDSD-UHFFFAOYSA-N 417.940 2.009 70 40 HEIB COc1ccc(CCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 218762035 NSGZOVDOPVTNRY-UHFFFAOYSA-N 420.531 2.214 70 40 HEIB Cc1cc(OC2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)cc(=O)n1C 217779719 OBVMKUGYDGPAFL-UHFFFAOYSA-N 420.531 2.336 70 40 HEIB CCOc1ccc(N([C@@H](C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216936948 XJSSKIJNTWFZBC-INIZCTEOSA-N 411.568 2.088 70 40 HEIB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@@H](Cc4nc(C5CC5)no4)C3)cc21 217824005 UYVHZKRWOWHDJO-LBPRGKRZSA-N 418.475 2.035 70 40 HEIB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)c(OC)c1 217520163 NXAYTYPSBKIVNE-ZBPHCFQXSA-N 410.426 2.218 70 40 HEIB biogenic Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 218767691 ZCNUDEOFAYFHRS-INIZCTEOSA-N 423.510 2.331 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)cc1 218581777 FLFNFCCUMKOFAF-UHFFFAOYSA-N 416.459 2.355 70 40 HEIB CCOc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1F 217779170 XDZRZTAWAPHRLF-UHFFFAOYSA-N 424.494 2.464 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1 218228803 DYIKMLZNQYEZAS-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB C[C@@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 216939674 SLXNMDCHXHUNTR-AWEZNQCLSA-N 401.960 2.343 70 40 HEIB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(F)cccc1F 217986541 ORIOWXNDIYZMMG-NHYWBVRUSA-N 415.389 2.488 70 40 HEIB Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216867490 MRNWDEFYSISDSZ-UHFFFAOYSA-N 415.559 2.294 70 40 HEIB Cc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 216889256 MBSZMBGFAZEPGT-UHFFFAOYSA-N 415.559 2.344 70 40 HEIB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218418892 PHXIAAHFMPSHKD-KRWDZBQOSA-N 405.520 2.192 70 40 HEIB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(F)cc1 216888542 ZMABGZQVFGRRDW-INIZCTEOSA-N 419.522 2.394 70 40 HEIB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)[C@H]4C2=O)no1 217717237 UARBUGLCFYZGSF-GQCQOZDVSA-N 407.470 2.407 70 40 HEIB COc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1C(N)=O 217516472 MTVGHEVBWREYNY-IBGZPJMESA-N 420.512 2.195 70 40 HEIB CN1CCC(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1 216799991 HCDOTUAQINDMCQ-UHFFFAOYSA-N 411.543 2.360 70 40 HEIB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCCC3)c2)CC1 216868212 QVYUDXCRRXWDQH-UHFFFAOYSA-N 423.579 2.092 70 40 HEIB Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 216864623 CQTPQCOVWXVHDG-UHFFFAOYSA-N 401.532 2.170 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 218344866 KUSLCMWBKMIQDI-UHFFFAOYSA-N 416.459 2.071 70 40 HEIB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)no1 217525467 RAPAGQRQJCEFGK-USKVXJDGSA-N 418.453 2.110 70 40 HEIB biogenic COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)c(F)c1 217985949 LBJFWZQDZLGGEY-MEDUHNTESA-N 415.389 2.488 70 40 HEIB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1N1CCN(C)CC1 216790584 VZHNWRQBZLTSNH-UHFFFAOYSA-N 422.938 2.252 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 218404526 JQIGXYSYTXHYLD-UHFFFAOYSA-N 402.432 2.047 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 218404421 MLYCIGNPEMASEQ-UHFFFAOYSA-N 402.432 2.047 70 40 HEIB Cc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 218517329 JBLIDRFVCOQRJH-UHFFFAOYSA-N 423.579 2.012 70 40 HEIB COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218162708 JEYWFLURVMEEEK-LNLFQRSKSA-N 405.497 2.274 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218264627 ZFWNDDBUSDWHIX-CQSZACIVSA-N 410.467 2.184 70 40 HEIB O=C(Cn1cnc2ccccc21)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217837058 ZFFBSKMCDDRZAM-OAHLLOKOSA-N 403.446 2.358 70 40 HEIB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(F)ccc1F 217986294 BNECFVRLQZCASE-SWLSCSKDSA-N 415.389 2.488 70 40 HEIB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)cc2)cc1 216831126 LHUSUPHEVQTEPB-UHFFFAOYSA-N 417.531 2.385 70 40 HEIB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)cc1F 217998829 XTVKHMQDKVUTAF-SWLSCSKDSA-N 415.389 2.488 70 40 HEIB Cc1cccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218231942 HEQHIDDLCCKFEQ-UHFFFAOYSA-N 406.489 2.189 70 40 HEIB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 218762888 OHIKXDTVVXLEDN-KRWDZBQOSA-N 420.531 2.349 70 40 HEIB CN1CCN(CCCNC(=O)COc2ccc(Br)cc2Cl)CC1 217011568 HWXPCKBQIQCLDP-UHFFFAOYSA-N 404.736 2.235 70 40 HEIB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 218762778 PGVKFLUORJFJSM-KRWDZBQOSA-N 420.531 2.349 70 40 HEIB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1 216787150 XWDJKDRLELBMRU-UHFFFAOYSA-N 417.531 2.446 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 218285268 PIUIYGXVTIQGCJ-CVEARBPZSA-N 406.504 2.433 70 40 HEIB COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 217977787 LPTFIKBKZMAIIG-FXCLAUTBSA-N 415.490 2.054 70 40 HEIB biogenic CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccccc1)S(C)(=O)=O 218227549 UONTYBQYRSIVNF-UHFFFAOYSA-N 406.489 2.223 70 40 HEIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 218263561 GZUAGQCHMIFXMR-UHFFFAOYSA-N 418.450 2.300 70 40 HEIB COc1ccc(CN(C)C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 218260137 BCFNRGKHWHUFOD-UHFFFAOYSA-N 422.503 2.137 70 40 HEIB CC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 218431707 BMOQPDQUPCNWME-UHFFFAOYSA-N 404.444 2.065 70 40 HEIB COc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)c1OC 218283709 CDGSMVABYCJDHP-CQSZACIVSA-N 422.503 2.183 70 40 HEIB COc1ccc(CN(C)C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 218259451 SVYZRPOFIOCGEZ-UHFFFAOYSA-N 422.503 2.137 70 40 HEIB CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O 218038479 QFOWWUFQNOPXDD-CECAUBDESA-N 405.498 2.475 70 40 HEIB O=S(=O)(CCC(F)(F)F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217855155 PWMZQLVYABRRAJ-NSHDSACASA-N 405.402 2.063 70 40 HEIB COC(=O)Nc1ccc(S(=O)(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)cc1 218010735 ZTOZXLRZOKAOFZ-HXUWFJFHSA-N 420.487 2.376 70 40 HEIB CCOc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 216887562 VFORZQDUISUOQY-UHFFFAOYSA-N 417.531 2.415 70 40 HEIB COc1ccccc1CCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 218761915 XPWFFTPWVPYTED-UHFFFAOYSA-N 420.531 2.214 70 40 HEIB CC[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 218398745 MFZJJXZJZHGAFF-INIZCTEOSA-N 410.517 2.343 70 40 HEIB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C)n(C)c(=O)c3)C2)cc1Cl 217774988 JDMHSDLOBXWCFD-ZDUSSCGKSA-N 412.895 2.198 70 40 HEIB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC3CCN(C)CC3)CC2)c1 217018289 IINGEGOQVAXQBQ-UHFFFAOYSA-N 421.607 2.385 70 40 HEIB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)cc1)c1ccc2c(c1)OCO2 218764493 LUFGIMXPMGLULL-UHFFFAOYSA-N 420.487 2.075 70 40 HEIB Cc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218232064 UCPWXPJLIFLFNI-UHFFFAOYSA-N 414.487 2.470 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 218285339 PIUIYGXVTIQGCJ-HOTGVXAUSA-N 406.504 2.433 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)n2)cc1 218226094 HYGMVMAGVOCFHF-UHFFFAOYSA-N 400.460 2.127 70 40 HEIB Cc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 218234736 GSGOGZOJJXNIBF-UHFFFAOYSA-N 414.487 2.470 70 40 HEIB CC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 218328880 DUIRZNZDBHVMSU-OAHLLOKOSA-N 418.471 2.116 70 40 HEIB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 216783364 ZDFDIORMQJWIOC-MRXNPFEDSA-N 417.531 2.122 70 40 HEIB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2CCCN12 217590227 AAKGTZXZVGGWGH-MBPVOVBZSA-N 418.449 2.293 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 218311363 IFESVBXPPMLNGT-OAHLLOKOSA-N 422.503 2.054 70 40 HEIB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 216861041 ASFSQBITWYSSGQ-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 216861004 NCCVSVNZQHGRPU-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 217982201 RIIQQBLDXHSTOX-LLVKDONJSA-N 400.865 2.400 70 40 HEIB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1 217524627 KPMOOWYJUJQXOS-XARGGIHNSA-N 417.465 2.248 70 40 HEIB biogenic Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)n2)c1 218226004 GGTDNNXJMHBJDH-UHFFFAOYSA-N 400.460 2.127 70 40 HEIB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 217018106 BICXOELFHNCBJW-UHFFFAOYSA-N 403.504 2.167 70 40 HEIB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NC1CCN(C)CC1 216836417 VGZDJXOKDVDZOE-UHFFFAOYSA-N 417.531 2.385 70 40 HEIB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1 217576362 UKROEPUCUSCDTR-GOSISDBHSA-N 403.460 2.369 70 40 HEIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl 216812425 NNMMEJJHSAOHLV-UHFFFAOYSA-N 408.351 2.214 70 40 HEIB CCOc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)cc1F 217767957 OYDJRWBKAQJWHQ-STQMWFEESA-N 410.467 2.058 70 40 HEIB CCc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 218308381 PNVUJGRNYRXSSX-UHFFFAOYSA-N 414.487 2.381 70 40 HEIB CCOc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 218427168 GRGHMTKJEVOLGD-UHFFFAOYSA-N 406.460 2.261 70 40 HEIB CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccccc1 218227983 OKDGCTMPKOWIOD-UHFFFAOYSA-N 401.532 2.412 70 40 HEIB CN1CCC(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 216804426 DVXIZIDOPPMJGU-UHFFFAOYSA-N 419.522 2.227 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)c1 218231390 FJUBDUCYIROKJT-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1 217576458 UKROEPUCUSCDTR-SFHVURJKSA-N 403.460 2.369 70 40 HEIB COc1ccc(Br)c(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c1 217725828 PMZWPLYQPFXWSA-ZIAGYGMSSA-N 419.275 2.233 70 40 HEIB Cc1cccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1C 218281873 VBBMDRWOOXAQKZ-UHFFFAOYSA-N 420.516 2.497 70 40 HEIB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(F)cc3)c2)CC1 216867190 BJZLGDOSRSRMNO-UHFFFAOYSA-N 419.522 2.124 70 40 HEIB CCCSc1nsc(NC(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n1 217437140 YXBAUFHPLOOFNQ-QWHCGFSZSA-N 405.549 2.260 70 40 HEIB COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(F)cc1 216844651 XJGRPAPKVCJMNG-UHFFFAOYSA-N 407.467 2.023 70 40 HEIB COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216854763 NFGKXVXSSGEVEZ-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 218337946 CKRFZMKTIJCSDN-UHFFFAOYSA-N 400.460 2.371 70 40 HEIB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217836492 BKMGEXVTUIZJFU-OAHLLOKOSA-N 416.445 2.202 70 40 HEIB CN1CCC(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 216831271 XEGYVBJIRFVEIS-UHFFFAOYSA-N 403.504 2.077 70 40 HEIB Cc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216855188 DKOTWENPBFJJOO-UHFFFAOYSA-N 401.532 2.170 70 40 HEIB COC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218162542 JEYWFLURVMEEEK-AOIWGVFYSA-N 405.497 2.274 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)cc1 218589989 XMYBTQPDEFZOQU-UHFFFAOYSA-N 416.459 2.355 70 40 HEIB Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 217697536 ZTSXVMXTXTXKNC-UHFFFAOYSA-N 419.528 2.200 70 40 HEIB CCCOc1ccccc1CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 218327059 ODVBFWMKLNFRSZ-UHFFFAOYSA-N 416.499 2.369 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1 218265607 DKYMVQSEAKXZCD-UHFFFAOYSA-N 410.452 2.020 70 40 HEIB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 216783310 ZDFDIORMQJWIOC-INIZCTEOSA-N 417.531 2.122 70 40 HEIB CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 216941587 QEBZSQBLSZVZMR-UHFFFAOYSA-N 418.515 2.409 70 40 HEIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(Br)cc2)C1 217438507 WFXJDXAYENAAMX-ZMSDIMECSA-N 419.319 2.470 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 218234041 CIYUDWAUIVANHX-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218332230 FNAZMWKBDLEEGP-UHFFFAOYSA-N 422.459 2.139 70 40 HEIB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3NS(C)(=O)=O)n2)cc1 218400156 HMRANUHKARLZPW-UHFFFAOYSA-N 416.459 2.389 70 40 HEIB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)c(F)c1 217986035 LBJFWZQDZLGGEY-BZNIZROVSA-N 415.389 2.488 70 40 HEIB CCc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 218245696 PAJSYFKWTBOGQC-UHFFFAOYSA-N 414.487 2.381 70 40 HEIB COC[C@@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218162625 JEYWFLURVMEEEK-ZIFCJYIRSA-N 405.497 2.274 70 40 HEIB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 217696463 RGCLSKIJTDCCIO-UHFFFAOYSA-N 417.409 2.397 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 218254029 JOEOISZEAFUFJW-OAHLLOKOSA-N 422.503 2.054 70 40 HEIB CC(C)n1nnc(-c2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)n1 217581598 KPCFEVFOKIJVBY-MAUKXSAKSA-N 404.474 2.342 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2Cl)no1)c1ccccc1 218226508 GDMDWKUMUXPSRM-UHFFFAOYSA-N 420.878 2.472 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1cccc(F)c1 218324087 MOOYBELMHUVJRL-UHFFFAOYSA-N 410.452 2.020 70 40 HEIB N#Cc1ncc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)[n+]([O-])c1N 104196080 JNBYNJHEKXLYRG-UHFFFAOYSA-N 410.417 2.313 70 40 HEIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)CC1 216874360 ZNMCJEXONSPVBK-UHFFFAOYSA-N 421.950 2.249 70 40 HEIB COc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(OC)c1OC 218332876 CQHBPMNOJXZWQH-UHFFFAOYSA-N 408.476 2.038 70 40 HEIB CN(CCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 218435710 LYGNXEUDVYTYJH-UHFFFAOYSA-N 411.474 2.374 70 40 HEIB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(OC)c(OC)c1 216844381 ZUVXAOCANFZPNH-UHFFFAOYSA-N 413.474 2.352 70 40 HEIB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)cc1Cl 217768217 PXZRPIJKURXGMD-RYUDHWBXSA-N 412.895 2.182 70 40 HEIB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)cc1F 217999023 XTVKHMQDKVUTAF-IUODEOHRSA-N 415.389 2.488 70 40 HEIB CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 218569086 IUXZPHJZAUXKGP-KRWDZBQOSA-N 410.517 2.343 70 40 HEIB C[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 218464076 IVBORDCMAOWEQZ-NSHDSACASA-N 424.479 2.408 70 40 HEIB CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccc(S(=O)(=O)F)cc2)cc1 43307483 XGFNNIYZWCBFCP-UHFFFAOYSA-N 403.483 2.316 70 40 HEIB CCc1ccccc1N(CC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O 218246337 XCKDOEPHBYDZQR-UHFFFAOYSA-N 420.516 2.443 70 40 HEIB COc1cc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC 218286352 XTSNNXTVCYJOSH-AWEZNQCLSA-N 422.503 2.183 70 40 HEIB CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 216825330 GQKPCQJNRSSGCC-LJQANCHMSA-N 415.559 2.451 70 40 HEIB C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O 218290255 KQCQTWVMOQHHGI-AWEZNQCLSA-N 400.460 2.208 70 40 HEIB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 218403957 QACUWEVGWRZGLW-QGZVFWFLSA-N 410.517 2.343 70 40 HEIB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)cc1 218570878 AGAOEFRFSWYURR-UHFFFAOYSA-N 416.459 2.389 70 40 HEIB CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 216839241 VMJCOEXAPFAPPS-UHFFFAOYSA-N 407.580 2.441 70 40 HEIB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1 217524543 KPMOOWYJUJQXOS-SEDAZVQISA-N 417.465 2.248 70 40 HEIB COc1ccc(Br)c(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)c1 217725669 PMZWPLYQPFXWSA-OKILXGFUSA-N 419.275 2.233 70 40 HEIB CCOc1ccc(N([C@H](C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216936973 XJSSKIJNTWFZBC-MRXNPFEDSA-N 411.568 2.088 70 40 HEIB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1 216818641 WOPUFQBLZMQXCL-OAQYLSRUSA-N 415.559 2.095 70 40 HEIB O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217988976 KLVJSZKYELEMLK-WMLDXEAASA-N 402.454 2.433 70 40 HEIB CN1CCC(Oc2ccc(CNC(=O)c3ccccc3NS(C)(=O)=O)cc2)CC1 216940021 BYIXEQIQUZNHHD-UHFFFAOYSA-N 417.531 2.461 70 40 HEIB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217853133 LQZARCCLGXEPEA-LBPRGKRZSA-N 421.429 2.448 70 40 HEIB O=C(CCc1ccc(S(=O)(=O)F)cc1)NC1CCN(Cc2ccccn2)CC1 1615058725 VCYHBEYUAJNJNP-UHFFFAOYSA-N 405.495 2.453 70 40 HEIB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCN(C)CC1 216783893 NEXIQGYQROWIGI-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216784085 SNXRGDUFROZGJH-UHFFFAOYSA-N 417.531 2.446 70 40 HEIB Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1 216859111 ABKKHAHMYBNMAO-UHFFFAOYSA-N 405.495 2.000 70 40 HEIB CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 218263985 GSMNTTAJMSGZBV-UHFFFAOYSA-N 424.479 2.362 70 40 HEIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1N(C)S(C)(=O)=O 218340036 ISCVZZSINAAXHM-UHFFFAOYSA-N 422.459 2.139 70 40 HEIB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(Cl)cc1Cl 218351365 OLSNLZPIRKCWQY-UHFFFAOYSA-N 416.286 2.497 70 40 HEIB COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216854366 LTOVWFRZVXELKZ-UHFFFAOYSA-N 403.504 2.192 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)n2)cc1 218234147 DEILSSBBXWFSAZ-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 218754463 GKAOQUPFUAROQY-FQEVSTJZSA-N 418.515 2.386 70 40 HEIB CC[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 218344264 JVCRCXPCQPPAKJ-QGZVFWFLSA-N 424.544 2.367 70 40 HEIB Cc1cc(OC2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cc(=O)n1C 217758002 WHHXHTOYPQNACI-UHFFFAOYSA-N 418.393 2.044 70 40 HEIB Cn1nc(CN(Cc2ccco2)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1C1CC1 217895309 VZIAJLVUCZYRHC-UHFFFAOYSA-N 420.535 2.091 70 40 HEIB CN(Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1)S(C)(=O)=O 218761846 AWYFGFQYQLYCMH-UHFFFAOYSA-N 408.495 2.345 70 40 HEIB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 218337596 MYLFWKQIUSKJHJ-SFHVURJKSA-N 424.544 2.367 70 40 HEIB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(F)ccc1F 217986366 BNECFVRLQZCASE-DOMZBBRYSA-N 415.389 2.488 70 40 HEIB CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 216862922 FAJWIPCRUVBACE-UHFFFAOYSA-N 415.515 2.386 70 40 HEIB CC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 216885281 ZPHNNYKOUPGLDE-UHFFFAOYSA-N 415.515 2.219 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 218311418 IFESVBXPPMLNGT-HNNXBMFYSA-N 422.503 2.054 70 40 HEIB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 218767875 XTZNNOSTABLBRR-INIZCTEOSA-N 423.510 2.331 70 40 HEIB CC[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 218398661 MFZJJXZJZHGAFF-MRXNPFEDSA-N 410.517 2.343 70 40 HEIB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 218447802 CNSFIQYUBPAOIF-AWEZNQCLSA-N 424.494 2.356 70 40 HEIB CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N3[C@@H](c4ccco4)CC(=O)[C@H](C)[C@@H]3[C@]23C=C[C@H]1O3 217511187 ABSCUOCHZNHNMO-LMVHGZGFSA-N 412.486 2.243 70 40 HEIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)CC1 216874120 LBQXYZHBZXPCSK-UHFFFAOYSA-N 407.923 2.206 70 40 HEIB COc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)c(OC)c1OC 218576989 LMAHQRDPABTNKK-UHFFFAOYSA-N 408.476 2.322 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1C 218243826 YVESADCLQNYESK-UHFFFAOYSA-N 420.516 2.497 70 40 HEIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 218770441 YMQLVRJUANICQW-MRXNPFEDSA-N 405.520 2.435 70 40 HEIB COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)Cl)cc1OC 100027086 VSIWHVGXHGJEJK-UHFFFAOYSA-N 414.823 2.470 70 40 HEIB CC1(C)C[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2O1 218326785 VCOIYPJCNTXSEE-OAHLLOKOSA-N 400.456 2.250 70 40 HEIB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)cc1 218010658 ZTOZXLRZOKAOFZ-FQEVSTJZSA-N 420.487 2.376 70 40 HEIB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1C 216826640 DOOSVGCVJBSKEX-UHFFFAOYSA-N 423.579 2.005 70 40 HEIB CCOc1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218427065 CTSYYDQTAQOTPR-UHFFFAOYSA-N 406.460 2.261 70 40 HEIB COc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c(OC)c1OC 218594254 SYMLAEQCNXINLE-UHFFFAOYSA-N 408.476 2.322 70 40 HEIB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N1CCN(C)CC1 216790645 JJFBOZVCOFVKJE-UHFFFAOYSA-N 422.938 2.252 70 40 HEIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1Cl 216936236 UXXWDRXXHHBYFC-UHFFFAOYSA-N 401.960 2.263 70 40 HEIB COc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218276115 DCVJSUMATMSSMO-INIZCTEOSA-N 405.520 2.102 70 40 HEIB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 218767795 XTZNNOSTABLBRR-MRXNPFEDSA-N 423.510 2.331 70 40 HEIB CN(CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 218769172 WRMFDTRETUKZFB-UHFFFAOYSA-N 422.526 2.081 70 40 HEIB CN1CCC(CCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 216935662 WMOIRQMQCJGFMY-UHFFFAOYSA-N 421.485 2.320 70 40 HEIB COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C)n(C)c(=O)c3)C2)cc1Cl 217774916 JDMHSDLOBXWCFD-CYBMUJFWSA-N 412.895 2.198 70 40 HEIB COc1ccc(Br)c(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c1 217725741 PMZWPLYQPFXWSA-KBPBESRZSA-N 419.275 2.233 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 218262511 WEOGQBRYNZVILQ-AWEZNQCLSA-N 410.467 2.184 70 40 HEIB COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)c(S(=O)(=O)Cl)cc1OC 100027092 JRBTYDDSBSKDCC-UHFFFAOYSA-N 414.823 2.470 70 40 HEIB COC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)cc1 217872049 UCRRDANQYHFPPU-UHFFFAOYSA-N 415.475 2.410 70 40 HEIB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O 218346083 GCAHRJCVHYYXPK-UHFFFAOYSA-N 406.489 2.466 70 40 HEIB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216843157 RBMLXZGSXCJBIM-UHFFFAOYSA-N 407.467 2.023 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 218234631 VFZMGKDMBKVMTF-UHFFFAOYSA-N 406.489 2.189 70 40 HEIB O=C1OC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc21 217545846 ZFBSDUDTJBRBFN-UHFFFAOYSA-N 401.440 2.308 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218264690 ZFWNDDBUSDWHIX-AWEZNQCLSA-N 410.467 2.184 70 40 HEIB CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N3[C@@H](c4ccco4)CC(=O)[C@H](C)[C@@H]3[C@]23C=C[C@H]1O3 217511099 ABSCUOCHZNHNMO-RARUOACGSA-N 412.486 2.243 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)n2)c1 218265184 WZXIDBZJUAVXBG-UHFFFAOYSA-N 418.450 2.267 70 40 HEIB C[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O 218291323 QHRRPCHDXFAWTK-GFCCVEGCSA-N 406.489 2.269 70 40 HEIB CC1(C)NC(=N)NC(=N)N1c1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1 8034747 IHTRXNSHXJVZTC-UHFFFAOYSA-N 418.454 2.202 70 40 HEIB in-vitro CC(C)Oc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 218326662 HNJQYUDCDZSVNL-UHFFFAOYSA-N 416.499 2.367 70 40 HEIB Cc1cccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1C 218281251 QHVHCWYYYJBXLB-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 218408235 CUVNKMQTZIUHTE-UHFFFAOYSA-N 417.531 2.248 70 40 HEIB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 218762846 OHIKXDTVVXLEDN-QGZVFWFLSA-N 420.531 2.349 70 40 HEIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 216884394 GZJLSSHMPFWBGK-UHFFFAOYSA-N 405.564 2.384 70 40 HEIB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 218447719 CNSFIQYUBPAOIF-CQSZACIVSA-N 424.494 2.356 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccc(F)c(F)c1 218434970 KRHASAVJQAFWEX-UHFFFAOYSA-N 422.413 2.097 70 40 HEIB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1 217474788 UGYQGHZLVCKQPB-FQEVSTJZSA-N 423.448 2.208 70 40 HEIB CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 218324681 XTEBVBPTMTYQCZ-UHFFFAOYSA-N 424.479 2.362 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1F 218263462 FJVFPQHQQUHVIV-UHFFFAOYSA-N 410.452 2.020 70 40 HEIB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 218337501 MYLFWKQIUSKJHJ-GOSISDBHSA-N 424.544 2.367 70 40 HEIB COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217668234 YBAVJVWIJNDKBS-CQSZACIVSA-N 418.500 2.429 70 40 HEIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 218265699 KNJVTTLIKYPZNT-UHFFFAOYSA-N 418.450 2.300 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 218285144 PIUIYGXVTIQGCJ-HZPDHXFCSA-N 406.504 2.433 70 40 HEIB CN1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2Cl)CC1 216869935 UIBQWJVRDVVIIS-JJRVBVJISA-N 411.955 2.195 70 40 HEIB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 218449149 BSDYEFPWHPEXAY-OAHLLOKOSA-N 423.485 2.468 70 40 HEIB C[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 218463228 PEEYHJMFHMAQOZ-CYBMUJFWSA-N 418.450 2.347 70 40 HEIB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1 217823133 FLFHTLRLAMGCQF-CYBMUJFWSA-N 405.476 2.377 70 40 HEIB Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2)n1 218024714 WIDNECGZKJJZKQ-IPMKNSEASA-N 407.518 2.117 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)cc1 218599520 CEZHKVXQBAKEDC-UHFFFAOYSA-N 416.459 2.355 70 40 HEIB Cc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 216887680 FZCBGDCHHOMSAJ-UHFFFAOYSA-N 401.532 2.002 70 40 HEIB COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218162772 JEYWFLURVMEEEK-JENIJYKNSA-N 405.497 2.274 70 40 HEIB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216855225 BDWYJBUCUHDFJH-UHFFFAOYSA-N 401.532 2.170 70 40 HEIB COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc(OC)c1OC 218595996 WLWSKUHPRVLUPL-UHFFFAOYSA-N 408.476 2.322 70 40 HEIB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)cc2)c1 216831854 ACMBKXMBYVBNFL-UHFFFAOYSA-N 417.531 2.385 70 40 HEIB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3NS(C)(=O)=O)n2)c1 218400067 OMWTYNSPWSIYOY-UHFFFAOYSA-N 416.459 2.389 70 40 HEIB COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1C(=O)N1CCCCC1 216942961 OVLNETHADXVTFZ-UHFFFAOYSA-N 423.579 2.332 70 40 HEIB CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 216825361 GQKPCQJNRSSGCC-IBGZPJMESA-N 415.559 2.451 70 40 HEIB Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216861681 PZDJOWUKPXBHKK-UHFFFAOYSA-N 401.532 2.170 70 40 HEIB CCOC(=O)C1CCN(C(=O)[C@@]23C[C@@H]4C[C@@H](C[C@@](n5nnc(C)n5)(C4)C2)C3)CC1 217506006 AAVXTMBUKKSOPE-IFCLKOLQSA-N 401.511 2.079 70 40 HEIB Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 216861709 FCXSCYOCFSTUBA-UHFFFAOYSA-N 401.532 2.170 70 40 HEIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1C 216827227 CCHRREUOITVCIH-KRWDZBQOSA-N 423.579 2.005 70 40 HEIB COc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216882665 NAKWMSBCUGRCIZ-UHFFFAOYSA-N 403.504 2.025 70 40 HEIB CCS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc2c(c1)OCO2 218764282 WRXHJRNKLGZGLW-UHFFFAOYSA-N 422.478 2.460 70 40 HEIB C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 218449066 BSDYEFPWHPEXAY-HNNXBMFYSA-N 423.485 2.468 70 40 HEIB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 218404038 QACUWEVGWRZGLW-KRWDZBQOSA-N 410.517 2.343 70 40 HEIB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(F)cccc1F 217986723 ORIOWXNDIYZMMG-ABAIWWIYSA-N 415.389 2.488 70 40 HEIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 218440886 BFORLCKDNKGKOK-UHFFFAOYSA-N 422.503 2.428 70 40 HEIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccccc3F)S(C)(=O)=O)n2)cc1 218263043 GTEILRVRUSXTBP-UHFFFAOYSA-N 418.450 2.267 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)c1 218228721 XXTVACXXORTTJP-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB CCOc1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218418326 OZIIWBYVVZKOJT-UHFFFAOYSA-N 419.547 2.447 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)c1 218344544 SLUYLMRGPXXOAN-UHFFFAOYSA-N 400.460 2.371 70 40 HEIB COc1cccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)c1 218570782 RDBGCOHOTJBXRF-UHFFFAOYSA-N 416.459 2.389 70 40 HEIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 216884630 WDQHOSXMZXYUKT-UHFFFAOYSA-N 409.458 2.294 70 40 HEIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 218401072 NGMMZPFFXOGSQI-UHFFFAOYSA-N 408.432 2.114 70 40 HEIB CC(C)CCNC(=O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)CC(=O)[C@H](C)[C@@H]13 217511020 ABSCUOCHZNHNMO-IDSPLMPUSA-N 412.486 2.243 70 40 HEIB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 217810160 RWTADFSNUSELHS-AWEZNQCLSA-N 418.519 2.292 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 218255720 MUSXVGXAHQVXCX-HNNXBMFYSA-N 422.503 2.054 70 40 HEIB CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216856846 LHMKETNXSIAVLH-UHFFFAOYSA-N 415.515 2.386 70 40 HEIB COc1c(Br)cc(S(=O)(=O)Cl)c(OC)c1S(=O)(=O)Cl 100618261 QCDPKOVPRRSBMX-UHFFFAOYSA-N 414.082 2.321 70 40 HEIB CCN(c1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1)S(C)(=O)=O 218777047 LPBUALNTBFYIEO-UHFFFAOYSA-N 422.503 2.428 70 40 HEIB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1 216857327 GYMORZVNCAWMKZ-UHFFFAOYSA-N 409.458 2.462 70 40 HEIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 218226621 BEDNIOFVMKTRGN-UHFFFAOYSA-N 420.878 2.472 70 40 HEIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCOC1CCCC1 216865843 WUDUDGKZGGWDMW-UHFFFAOYSA-N 423.579 2.010 70 40 HEIB COc1ccc(-c2noc(CNC(=O)c3ccccc3NS(C)(=O)=O)n2)cc1 218399257 KZDKPDKUYFCOCY-UHFFFAOYSA-N 402.432 2.047 70 40 HEIB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)c(OC)c1 217520248 NXAYTYPSBKIVNE-FUOQNJDISA-N 410.426 2.218 70 40 HEIB biogenic CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 216885047 IIFURLKUSVOFFA-UHFFFAOYSA-N 421.950 2.347 70 40 HEIB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 218418633 JKHCJIBIXBDVJC-QGZVFWFLSA-N 405.520 2.192 70 40 HEIB CN1CCC(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 216832913 PCWSZWVWWKUEAF-UHFFFAOYSA-N 421.494 2.216 70 40 HEIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 218770630 KEKQVPFAZFTEHX-MRXNPFEDSA-N 405.520 2.435 70 40 HEIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccccc3)S(C)(=O)=O)n2)c1 218226950 IMDRFTUHUZZBMC-UHFFFAOYSA-N 414.487 2.470 70 40 HEIB Cc1c(Cl)cccc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216936199 WGCBJJCGFFLMIL-UHFFFAOYSA-N 401.960 2.263 70 40 HEIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccccc1)S(C)(=O)=O 218226817 FKGMYNNETVIQJN-UHFFFAOYSA-N 400.460 2.161 70 40 HEIB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCCO2 218428468 MZPBAQZQKZNXLJ-UHFFFAOYSA-N 422.528 2.132 70 40 HEIB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3cccc(OC)c3)[C@@H]4C2=O)cc1 217519476 ZTZTWLCKGWFFER-GECPAALWSA-N 420.465 2.307 70 40 HEIB biogenic Cc1ccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 218344647 MNSUBWDVNZCFLS-UHFFFAOYSA-N 400.460 2.371 70 40 HEIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 216883103 UADUKIWKJNWDQV-UHFFFAOYSA-N 421.950 2.347 70 40 HEIB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc2c(c1)OCO2 217927280 FASGMAYOKJWLLA-XBXARRHUSA-N 400.456 2.268 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c(C)c1 218237276 YDTBQNPMRLNBCA-UHFFFAOYSA-N 420.516 2.497 70 40 HEIB COc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 216881972 YDHNGTYASDIGKQ-UHFFFAOYSA-N 403.504 2.025 70 40 HEIB Cc1cccc(C)c1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 218272503 OBRCLSFBFOLCEB-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 218449334 KHQHSDGBALITCS-OAHLLOKOSA-N 423.485 2.468 70 40 HEIB Cc1ccc(Cl)cc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216936160 ILPGQXJEWKVTJV-UHFFFAOYSA-N 401.960 2.263 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c(C)c1 218236548 BGKSJCHHDCBQSQ-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB Cc1cc(C)cc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218241769 FDTYRYGVGSYVNJ-UHFFFAOYSA-N 420.516 2.497 70 40 HEIB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 218418719 JKHCJIBIXBDVJC-KRWDZBQOSA-N 405.520 2.192 70 40 HEIB CN(CCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 218773478 FNDYZTHDNBDYJE-UHFFFAOYSA-N 404.536 2.186 70 40 HEIB CCOc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218295159 PKZLOQGGAWCMPD-QGZVFWFLSA-N 419.547 2.492 70 40 HEIB COc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218256873 DOLYIBFNWVEREB-UHFFFAOYSA-N 405.520 2.104 70 40 HEIB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1N1CCN(C)CC1 216793331 JHQAWTLXCSSOOS-UHFFFAOYSA-N 416.547 2.297 70 40 HEIB Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3F)S(C)(=O)=O)n2)c1 218262957 BYLRXGKDXGNBJK-UHFFFAOYSA-N 418.450 2.267 70 40 HEIB CN1CCC(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 216797161 CEASKCSGYAZDII-UHFFFAOYSA-N 415.559 2.130 70 40 HEIB Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 216853827 KMYAUBQRZQKCHD-UHFFFAOYSA-N 401.532 2.203 70 40 HEIB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O 218345339 ZJUGIHFGTAGUGA-UHFFFAOYSA-N 400.460 2.405 70 40 HEIB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(F)ccc1F 217986208 BNECFVRLQZCASE-WFASDCNBSA-N 415.389 2.488 70 40 HEIB CN1CCN(S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)CC1 216868961 FHGFROFAKHRJOQ-UHFFFAOYSA-N 421.950 2.249 70 40 HEIB COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccncc2)cc1C 217871568 BILABCRJTDTDPP-UHFFFAOYSA-N 406.489 2.080 70 40 HEIB Cc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 216883220 WGOFWMNKDPXAPZ-UHFFFAOYSA-N 401.532 2.002 70 40 HEIB Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCN(C)CC1 216856324 SHDLAEBTMYCNMW-UHFFFAOYSA-N 409.458 2.462 70 40 HEIB COc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 218276160 DCVJSUMATMSSMO-MRXNPFEDSA-N 405.520 2.102 70 40 HEIB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)c(C)c1 216825713 DXFWPEUHARXDSX-GOSISDBHSA-N 407.580 2.223 70 40 HEIB Cc1cccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218231293 JOMNMNRXWMBSMI-UHFFFAOYSA-N 400.460 2.127 70 40 HEIB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 217982277 RIIQQBLDXHSTOX-NSHDSACASA-N 400.865 2.400 70 40 HEIB Cc1cccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1C 218280486 RZIIJYIHAXUIEY-UHFFFAOYSA-N 415.559 2.414 70 40 HEIB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 217750122 MXOCISCLBCFXRO-UHFFFAOYSA-N 414.814 2.427 70 40 HEIB CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 218643403 VONRVZQODHILIH-UHFFFAOYSA-N 416.459 2.437 70 40 HEIB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CCN(C)CC1 216835106 GEEWBZLBDQOUAM-UHFFFAOYSA-N 423.579 2.195 70 40 HEIB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1 217524463 KPMOOWYJUJQXOS-FBHSLPMESA-N 417.465 2.248 70 40 HEIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 218255650 MUSXVGXAHQVXCX-OAHLLOKOSA-N 422.503 2.054 70 40 HEIB C[C@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 216939687 SLXNMDCHXHUNTR-CQSZACIVSA-N 401.960 2.343 70 40 HEIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1C 218243225 VAZKQAIOAUVUGB-UHFFFAOYSA-N 414.487 2.436 70 40 HEIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 218770522 YMQLVRJUANICQW-INIZCTEOSA-N 405.520 2.435 70 40 HEIB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 217823224 FLFHTLRLAMGCQF-ZDUSSCGKSA-N 405.476 2.377 70 40 HEIB CN1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 216796979 JKCWFFALWLSIIN-UHFFFAOYSA-N 401.532 2.088 70 40 HEIB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1 216784301 MUSCBMRBHXNYTK-UHFFFAOYSA-N 407.467 2.023 70 40 HEIB COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 217977866 LPTFIKBKZMAIIG-VPKVUBIPSA-N 415.490 2.054 70 40 HEIB biogenic Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 218767614 ZCNUDEOFAYFHRS-MRXNPFEDSA-N 423.510 2.331 70 40 HEIB CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 218569011 IUXZPHJZAUXKGP-QGZVFWFLSA-N 410.517 2.343 70 40 HEIB COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 217977947 LPTFIKBKZMAIIG-LZFQIVBZSA-N 415.490 2.054 70 40 HEIB biogenic CCN(c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1)S(C)(=O)=O 218780110 AVFQNMKWZQMISW-UHFFFAOYSA-N 422.503 2.428 70 40 HEIB CCOc1ccccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218258113 ZSKJJICKTQWSLQ-UHFFFAOYSA-N 419.547 2.494 70 40 HEIB CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 218328964 DUIRZNZDBHVMSU-HNNXBMFYSA-N 418.471 2.116 70 40 HEIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C)c1ccccc1 216786391 VGNOIBYKGJROQI-INIZCTEOSA-N 417.531 2.122 70 40 HEIB COc1cccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c1 218581664 IVHXXAQCJMVAFO-UHFFFAOYSA-N 416.459 2.355 70 40 HEIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 218285203 PIUIYGXVTIQGCJ-JKSUJKDBSA-N 406.504 2.433 70 40 HEIB