smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CC(=O)Nc1ccc(OC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1 1857749204 MOLZEWMFJAUURT-UHFFFAOYSA-N 402.362 3.102 10 1 HGCF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587267547 MSYGEEFBWGPWGG-NSHDSACASA-N 401.382 3.361 10 1 HGCF Cc1cccc2cc([C@H]3CC(c4cc(Br)ccc4O)=NN3)c3nnnn3c12 1857651686 GPLVKIRYCPWMNU-MRXNPFEDSA-N 423.274 3.493 10 1 HGCF O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)Cc1ccccc1)c1nsnc21 219748182 AAQCUBBJWISOAO-UHFFFAOYSA-N 420.471 3.441 10 1 HGCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCN1CCCCC1 2356844941 NZTZOYGYSUTPKB-UXHICEINSA-N 417.594 3.241 10 1 HGCF CC(C)(C)C(=O)OCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 72107150 NRHNUJPDNSWXBH-UHFFFAOYSA-N 416.382 3.208 10 1 HGCF Nc1sccc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1 12356276 XJOFOTULUMAAAE-UHFFFAOYSA-N 415.588 3.272 10 1 HGCF COc1ccc(O)c(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)c1 12003036 HNXLLVBHPRGDET-OAQYLSRUSA-N 410.514 3.344 10 1 HGCF O=C1c2c(O)cccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1 299854146 UYLBOMCTUNXNSM-UHFFFAOYSA-N 416.393 3.114 10 1 HGCF C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 95901743 LSNSUZUVRXFZLV-HYJVDKBFSA-N 410.514 3.015 10 1 HGCF O=C(O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2cccnc2C3=O)c1 1857538614 IWXBKHKLISXHGJ-UHFFFAOYSA-N 411.373 3.060 10 1 HGCF COc1c(O)ccc2c1C(=O)c1c(cc(O)c3c1[C@@H](c1ccccc1)OC3=O)C2=O 13375669 XHIVQYWGRAIKSE-OAQYLSRUSA-N 402.358 3.142 10 1 HGCF biogenic CC(C)OC(=O)OCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 96906476 HNAJOUWALLBEAT-UHFFFAOYSA-N 418.354 3.180 10 1 HGCF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@H](Nc2ccccc2C(=O)O)CC=CC=C[C@@H]1O 2356847439 OWDJOZOLRGWRFL-VIZZQPHQSA-N 424.453 3.401 10 1 HGCF COc1ccc(/C=C/C(=O)NCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 101782833 SOOWOTNTGUWAMZ-VWIPVYSNSA-N 423.385 3.230 10 1 HGCF C[C@@]1(c2ccc(I)cc2O)NCCc2c(C(=O)O)cccc21 963131073 MEBHWKJVYDYBRF-QGZVFWFLSA-N 409.223 3.104 10 1 HGCF COc1cc2c(cc1OC)[C@]13CC[C@H]4C(=CCO[C@H]5CCN2[C@H]1[C@H]54)CN(C#N)CC3 238778911 AGGOIZXUFZURQH-SHWJQXDKSA-N 407.514 3.072 10 1 HGCF COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O 209437356 ZXABLVLSKRXQNZ-MOPGFXCFSA-N 406.486 3.146 10 1 HGCF COC(=O)c1ccc(O)c([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962719133 SFVPFEMXMCXKOW-GOEBONIOSA-N 413.323 3.025 10 1 HGCF NCCCC[C@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 64448850 PAWFKGZSYHOYLN-FQEVSTJZSA-N 417.509 3.019 10 1 HGCF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCc3c2ccc(O)c3O)N1 962921357 AZYJRWSSMAIKKU-RDPSFJRHSA-N 419.433 3.384 10 1 HGCF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(N3CCOCC3)cc2F)N1)C(F)(F)F 962715959 TTWVUZUVYQUDAP-MOPGFXCFSA-N 408.395 3.397 10 1 HGCF CC(C)=CCc1c2c(c(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc13)C[C@@H](CO)O2 2356729460 IRLLZSKLOLXMLV-ZDUSSCGKSA-N 410.422 3.381 10 1 HGCF O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O 169348349 URTKEYIRDAGPPX-UHFFFAOYSA-N 418.290 3.132 10 1 HGCF CNC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341942 ZWGDOCYSFPSFFR-GMAHTHKFSA-N 409.413 3.416 10 1 HGCF CCOC(=O)C[C@H](N=[N+]=[N-])[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975659 YCXJVEDXNRQACT-XMZIXOGTSA-N 402.785 3.064 10 1 HGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cnc(-n2ccnc2)s1 72124442 VTYXIZXFTPSCRV-UHFFFAOYSA-N 421.482 3.211 10 1 HGCF CC(=O)Oc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27850100 PLYPMIUCWWAMDE-UHFFFAOYSA-N 402.454 3.153 10 1 HGCF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCc3c2ccc(O)c3O)N1 962921353 AZYJRWSSMAIKKU-GBXCKJPGSA-N 419.433 3.384 10 1 HGCF COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)cc3n2CCCO)c1 73195672 MERYDZCLHSXFLV-UHFFFAOYSA-N 404.470 3.352 10 1 HGCF O=CN1CCN(c2ccc(/C=C3\C(=O)Nc4ccc(Br)cc43)cc2)CC1 13780152 BWIHZZBWTTUUMW-WQRHYEAKSA-N 412.287 3.220 10 1 HGCF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccccc2)SC1=S 1857771619 UDVIZPUGQABMCG-YBEGLDIGSA-N 409.492 3.370 10 1 HGCF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2C(=O)O)sc2c1CCCCCC2 135932639 GWXPNBDKQUNSRF-YXAMBPQSSA-N 407.488 3.010 10 1 HGCF CCCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O 72119637 GANVHLKTBOFWAB-UHFFFAOYSA-N 412.243 3.012 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607199 LCPMQYAMWBMGSM-RDTXWAMCSA-N 404.315 3.227 10 1 HGCF COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccn2)C(=O)c2ccccc2C1=O 12948081 XHDGNCQNMUVVNP-UHFFFAOYSA-N 412.401 3.352 10 1 HGCF Cc1ccc2c(c1)C(=O)[C@]1(NCCc3c(C)ccnc31)[C@H](c1ccc(O)c(O)c1)O2 963074787 XZTUGJPZJRZXQC-ZEQRLZLVSA-N 402.450 3.467 10 1 HGCF CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(O)c(O)c3)c2)cc1 45337930 AMXQCSXJYHAQMD-UHFFFAOYSA-N 419.481 3.342 10 1 HGCF CCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCC)[C@H](c1ccc(O)c(O)c1)O2 653702439 QNJRJGPVTFCVCS-ZLNADXECSA-N 414.410 3.160 10 1 HGCF C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 1861207 GHGGDZTYWCJNIP-FLWVTIDTSA-N 414.410 3.099 10 1 HGCF O=C1/C(=C/c2ccc(F)cc2F)SC(=S)N1NS(=O)(=O)c1ccccc1 13680703 XETOEHXZMNCIGL-ZSOIEALJSA-N 412.464 3.060 10 1 HGCF COc1ccc(NC(=O)CCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27558166 GUUCMRQYRGUUHJ-BTYIYWSLSA-N 402.491 3.317 10 1 HGCF COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@@H]2C)cc(O)c1O 2356544892 HTHZLCXYYQFBSC-FRGNPEFRSA-N 418.442 3.073 10 1 HGCF CC(C)=CCc1c2c(c(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc13)C[C@H](CO)O2 2356729459 IRLLZSKLOLXMLV-CYBMUJFWSA-N 410.422 3.381 10 1 HGCF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)c(O)cc(O)c41)[C@@H](C2)C3=O 587450452 LZOBLDYBVRWZGC-BSEYFRJRSA-N 416.385 3.048 10 1 HGCF Cc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1O 1772582701 XRIVZBSGEPKYFL-UHFFFAOYSA-N 424.434 3.049 10 1 HGCF CN(Cc1ccc(N)cc1)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 29040373 SGEGCNYIFRLAHP-LJQANCHMSA-N 406.317 3.187 10 1 HGCF CC(C)N1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 299832120 KZCRIQBLVACKKI-UHFFFAOYSA-N 423.494 3.013 10 1 HGCF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 587784687 CCWFMQOFQOKNHR-YVMONPNESA-N 417.487 3.232 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587798273 ZNTNHPPRWQRTNQ-DGIBIBHMSA-N 404.283 3.384 10 1 HGCF COc1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(O)c1O 587785265 JVSSZDBEYSNQRU-BQYQJAHWSA-N 405.414 3.212 10 1 HGCF C=CC(=O)Nc1cccc(OC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)c1 1857631452 MFLNKIDFXLDPDW-UHFFFAOYSA-N 402.362 3.102 10 1 HGCF CS(=O)(=O)c1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 586926823 QSIGEJHACYXXBO-UHFFFAOYSA-N 402.431 3.409 10 1 HGCF CCO[P@](=O)(O)[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1O 73197464 LASGOKGQCHWCTQ-PKOBYXMFSA-N 418.386 3.380 10 1 HGCF O=P(O)(O)C1(P(=O)(O)O)C(=S)c2ccccc2N=C1C1CCCCC1 84603799 ZXLLEYDQCPQKCN-UHFFFAOYSA-N 403.333 3.123 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587836558 AIAWGEKPAPXPSA-NTCNTBNZSA-N 408.223 3.086 10 1 HGCF COc1ccc(-n2cc(COc3ccc(/C=C4\SC(=S)NC4=O)cc3)nn2)cc1 1857572890 BXOFFZDMKRHPKI-ZDLGFXPLSA-N 424.507 3.344 10 1 HGCF Cc1ccc(C(=O)NCCCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27716566 OLJJYMQPHSAKHY-HTAPYJJXSA-N 400.519 3.408 10 1 HGCF COc1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 40934822 FEDPWPGNUBQIHV-OAQYLSRUSA-N 423.494 3.404 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587764239 CKAOOXVACYAXKI-YUNKPMOVSA-N 418.310 3.148 10 1 HGCF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(N(C)C)c(Br)c1)NCC2 962927445 RBQPPSQQKVOFAV-LJQANCHMSA-N 402.336 3.452 10 1 HGCF O=C(O)C[C@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 71341346 ZWCIXZKNLVQESJ-ZDBPOJEVSA-N 424.361 3.208 10 1 HGCF CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O 2965380 BSCRFAYYECLXQY-SFHVURJKSA-N 409.467 3.328 10 3 HGCF Oc1ccccc1CNC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356286986 BMLBXJJRQLBVNW-WPYKKVEZSA-N 412.461 3.427 10 1 HGCF COc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)cc1Br 963015931 BCVNUQSUXVRDML-DGIBIBHMSA-N 403.276 3.306 10 1 HGCF O=C(Nc1c(C(=O)NCCCc2ccccc2)cc(O)c(O)c1O)c1ccccc1 96285595 DINUCAJXYUJGEX-UHFFFAOYSA-N 406.438 3.418 10 1 HGCF CN(C)c1ccc(/C=C/C2=C(C(=O)O)[C@@H](c3ccc(N(C)C)cc3)NC(=O)N2)cc1 103187829 JIEFIMCESQILDI-NPZXAABXSA-N 406.486 3.225 10 1 HGCF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(=O)c3ccccc3)ncc1CC2 49072546 NFRDZRLJAHUABL-UHFFFAOYSA-N 424.464 3.049 10 1 HGCF O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 53243468 RHJQHTWMYKRALH-UHFFFAOYSA-N 417.918 3.100 10 1 HGCF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCc1ccc(N)cc1 169372027 SCOHSAGQPWTNRN-MBDNFAEBSA-N 408.498 3.063 10 1 HGCF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 587784738 CNOSMXUPUWIDFK-TWGQIWQCSA-N 417.487 3.184 10 1 HGCF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)c(O)cc(O)c41)[C@@H](C2)C3=O 587450453 LZOBLDYBVRWZGC-LFPIHBKWSA-N 416.385 3.048 10 1 HGCF COc1ccc2occ(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)c(=O)c2c1 1857648495 HJFRSZYJYKYMMV-MFOYZWKCSA-N 404.378 3.306 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587836556 AIAWGEKPAPXPSA-CVJBHZAOSA-N 408.223 3.086 10 1 HGCF O=C(O)C[C@H]1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 2356573099 ZWCIXZKNLVQESJ-GOSISDBHSA-N 424.361 3.208 10 1 HGCF CN1C[C@@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]21 169313019 BTLXNTWNCUMBTR-WPYKKVEZSA-N 404.510 3.185 10 1 HGCF Cc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cc(Cl)ccc3O)C2)cc1 299856039 BOLAHBYKYUNDAM-FQEVSTJZSA-N 413.905 3.364 10 1 HGCF Cc1c(O)cc(O)c([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1O 962918349 IGIIPPHOQLBELN-UWJYYQICSA-N 423.421 3.298 10 1 HGCF C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3nnc(C4=S=CC=C4)o3)cc2)C1 1857747785 IMFQQNMISWOGJS-OKILXGFUSA-N 403.529 3.029 10 1 HGCF COc1ccc(-c2cnc(/C=C3\SC(=S)N(CC(=O)O)C3=O)s2)cc1OC 13678236 DJYHEDLXAAWKDB-SDQBBNPISA-N 422.509 3.113 10 1 HGCF C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 95901742 LSNSUZUVRXFZLV-KGELDTGKSA-N 410.514 3.015 10 1 HGCF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2O)c1 103191383 OBPQXTXLZHXTIO-KRWDZBQOSA-N 423.288 3.082 10 1 HGCF COc1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(O)c1O 587785266 JVSSZDBEYSNQRU-FPLPWBNLSA-N 405.414 3.212 10 1 HGCF Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCCC1 1857617667 BNKXDVIJRNCWPT-UHFFFAOYSA-N 401.526 3.412 10 1 HGCF c1cc(C23CCN(CC2)Cc2cc(N4CCOCC4)ccc23)ccc1N1CCOCC1 114348441 NVDYVZGABKJWFJ-UHFFFAOYSA-N 419.569 3.255 10 1 HGCF CC(=O)Oc1ccc(O)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962974345 KRLUEKPFMJECON-AUUYWEPGSA-N 411.788 3.112 10 1 HGCF COc1cc(N(C)Cc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 3814850 OHFBAALLVAUGLX-UHFFFAOYSA-N 403.870 3.110 10 1 HGCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1cccs1 84758326 SZWYVVLAYJITID-UHFFFAOYSA-N 405.486 3.072 10 1 HGCF Cn1c(=O)nc(O)c2c1nc(N=Nc1c(O)[nH]c3ccccc13)n2Cc1ccccc1 617960023 FJJUOOKFWIDHQB-UHFFFAOYSA-N 415.413 3.486 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586949316 SUXPCJBGYYDNEB-UHFFFAOYSA-N 418.219 3.348 10 1 HGCF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@H](OC(=O)c1ccccc1)C2 169714235 SCOHSAGQPWTNRN-GXRSIYKFSA-N 408.498 3.063 10 1 HGCF COC(=O)c1cccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)c1 1911581924 OWEDBMVFRDDIHB-UHFFFAOYSA-N 409.401 3.496 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(S(C)(=O)=O)ccc2O)N1 587849058 JHFHSBDVQGYLSH-VVVCHXIZSA-N 414.296 3.321 10 1 HGCF COc1cc2c(cc1OC)[C@@]1(C(=O)N(CCN=[N+]=[N-])c3ccccc31)N(C)[C@H](C)C2 962640889 SBGXDBPPHCBHTC-PEBXRYMYSA-N 407.474 3.481 10 1 HGCF CN(C)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccc(O)c(O)c1 1772645983 DNPDUKHQRBNFTP-XNTDXEJSSA-N 424.476 3.255 10 1 HGCF COc1ccc2c(c1)C[C@H]1Cn3c(c(CCNC(C)=O)c4cc(OC)ccc43)CN21 35241918 NNOZWXPTXGWATL-KRWDZBQOSA-N 405.498 3.282 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587819008 GFYODNRWPGLSLH-WBIGVXLRSA-N 410.283 3.091 10 1 HGCF CN1CCc2cc(CNC(=O)[C@@H]3CNC[C@H]3c3ccc(C(F)(F)F)cc3)ccc21 1857601241 MVKZVFGQVVXLCJ-RBUKOAKNSA-N 403.448 3.317 10 1 HGCF COc1ccc(N2CCN(C(=O)C(=O)c3cc(OC)c4ccccc4c3)CC2)cc1 95605482 SONSPANTSIHACF-UHFFFAOYSA-N 404.466 3.389 10 3 HGCF Cc1ccc2c(c1)C(=O)[C@@]1(NCCc3c(C)ccnc31)[C@H](c1ccc(O)c(O)c1)O2 963074769 XZTUGJPZJRZXQC-BJKOFHAPSA-N 402.450 3.467 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586948387 OQTPERMVJCGELC-UHFFFAOYSA-N 405.439 3.403 10 1 HGCF CCN(CC)CCCCOC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 209357920 GZILXXZCQLLHDR-UHFFFAOYSA-N 411.454 3.152 10 1 HGCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 962958597 QJVYZJDJXPKGOJ-OWJWWREXSA-N 402.498 3.125 10 1 HGCF COc1ncc(N2CCc3ncnc(-c4cnn(CC5CCOCC5)c4)c3C2)cc1C 1857574009 KICDHGZVFFLZHW-UHFFFAOYSA-N 420.517 3.041 10 1 HGCF C[C@]1(c2ccc(I)cc2O)NCCc2c(C(=O)O)cccc21 963131072 MEBHWKJVYDYBRF-KRWDZBQOSA-N 409.223 3.104 10 1 HGCF COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(/C=C/C(=O)O)c1O 209565902 CBJWUHYBOGBDFE-AATRIKPKSA-N 401.487 3.083 10 1 HGCF CCCCn1c(=O)n(Cc2ccccc2F)c(=O)c2[nH]c(Cc3ccc(N)cc3)nc21 28708732 QGWIDDFMQKVQGH-UHFFFAOYSA-N 421.476 3.047 10 1 HGCF CN(C)CCn1nc2c3c(c(NCC[C@H]4CCCN4C)ccc31)C(=O)c1ccncc1-2 95591408 WLEYYNFNAQOJIU-MRXNPFEDSA-N 418.545 3.101 10 1 HGCF O=C(Oc1cccc(F)c1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 49072133 ZWOWIRGWRRUYLB-UHFFFAOYSA-N 400.314 3.087 10 1 HGCF CC(=O)Oc1ccc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962974348 KRLUEKPFMJECON-IFXJQAMLSA-N 411.788 3.112 10 1 HGCF Nc1c(S(=O)(=O)O)cc(Nc2ccc(F)cc2)c2c1C(=O)c1ccccc1C2=O 45392019 HCTWKQCCDOTHIE-UHFFFAOYSA-N 412.398 3.174 10 1 HGCF COC(=O)C[C@@H]1c2c(-c3ccc(O)cc3OC)cc(O)c(O)c2C[C@@H]1C(C)(C)O 1772620384 MHWMLPBZCSQTLJ-HOCLYGCPSA-N 402.443 3.069 10 1 HGCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCc3ccccc3)OC[C@@H]1C2=O 238786746 RMDRBXLEUUTIFV-HUYGQZFBSA-N 412.438 3.114 10 1 HGCF COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@H]2C)cc(O)c1O 2356544893 HTHZLCXYYQFBSC-NXPJVHOHSA-N 418.442 3.073 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 587741825 PGOPUBGHOHILJS-ZUOKHONESA-N 423.326 3.003 10 1 HGCF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2cc(O)c(O)cc2C1 28964172 GNMGTHXPOHHXCC-QHCPKHFHSA-N 409.574 3.489 10 1 HGCF CCCCNC(=O)[C@]1(CC)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 40860711 MZMGFGJENUEXFC-XMMPIXPASA-N 417.465 3.117 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 586948933 NJKRIXKQJANMPM-UHFFFAOYSA-N 400.229 3.209 10 1 HGCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccccc1 34011112 BSJNZXBABNBDHN-TZIWHRDSSA-N 410.378 3.116 10 1 HGCF CCCCc1ccc(Nc2nc3c(ncn3[C@@H]3C[C@H](O)[C@@H](CN=[N+]=[N-])O3)c(=O)[nH]2)cc1 17259682 LFJHCRIDEWWIKI-XHSDSOJGSA-N 424.465 3.165 10 1 HGCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@@](C)(OCCc3ccccc3)OC[C@H]1C2=O 2356658417 RMDRBXLEUUTIFV-WBPRFABPSA-N 412.438 3.114 10 1 HGCF CC(=O)OC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)CC2=O 59777155 NMDAXWXNNIQNFH-ISAWABDASA-N 414.410 3.267 10 1 HGCF COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(C(=O)O)oc2cc(O)c(O)cc12 14725634 MOXBJFJTLKHZPO-UHFFFAOYSA-N 400.295 3.153 10 1 HGCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587792663 LWSGLABBTBRETQ-DGIBIBHMSA-N 404.283 3.384 10 1 HGCF COc1ccc(NC(=O)CCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27558160 GUUCMRQYRGUUHJ-QVKFZJNVSA-N 402.491 3.317 10 1 HGCF CNCCNc1c2c(c(NCCNC)c3c(C)csc13)C(=O)c1ccccc1C2=O 40894554 HDUBMKZQIKEHFA-UHFFFAOYSA-N 422.554 3.248 10 1 HGCF Cc1ccc(C(=O)NCCCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27716586 OLJJYMQPHSAKHY-VGSWGCGISA-N 400.519 3.408 10 1 HGCF O=C(c1cc(O)c(O)c(Br)c1)c1cc(O)c(O)c(Br)c1 64512181 QWGGKBRLOGNRAY-UHFFFAOYSA-N 404.010 3.265 10 1 HGCF in-vivo CC(=O)N(C)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 218468595 POZJEEHYBNEFQV-UHFFFAOYSA-N 415.375 3.485 10 1 HGCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl 299865485 UAHRZKFTYFZIME-INIZCTEOSA-N 422.938 3.083 10 1 HGCF CCOC(=O)C[C@H](N=[N+]=[N-])[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975657 YCXJVEDXNRQACT-OHUAYANFSA-N 402.785 3.064 10 1 HGCF COc1ccc([C@@]2(CCC(=O)O)NCCc3cc4cccc(OC)c4nc32)c(O)c1 963064916 HOHFADKTLABUQV-HSZRJFAPSA-N 408.454 3.212 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 587742776 TYMDRPRJRZIACA-ZUOKHONESA-N 423.326 3.003 10 1 HGCF CC(=O)C(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCNCC2)n1C 40575889 YIXFDUIQQWTSMZ-UHFFFAOYSA-N 406.461 3.075 10 1 HGCF COC(=O)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205047317 YYJNAVPMCKQJIH-UHFFFAOYSA-N 402.332 3.289 10 1 HGCF CS(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 586951013 QAHWDBJOEFWUHY-UHFFFAOYSA-N 417.446 3.377 10 1 HGCF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2O)[C@@H]1Oc1ccc(C(=O)O)cc1 27210563 JEVYIDDPKPIIPD-HXUWFJFHSA-N 412.442 3.354 10 1 HGCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2[N+](=O)[O-])c1=O 261088721 DBQLLQGFGQEFFS-UHFFFAOYSA-N 413.375 3.167 10 1 HGCF COc1cc2c(cc1OC)[C@@]13CC[C@H]4C(=CCO[C@H]5CCN2[C@@H]1[C@H]54)CN(C#N)CC3 2356415897 AGGOIZXUFZURQH-BMULLKFZSA-N 407.514 3.072 10 1 HGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c21 587274076 SBIOFEIHHQWYKA-UHFFFAOYSA-N 401.382 3.076 10 1 HGCF O=C1c2cccc(O)c2C(=O)c2c(OCCN(CCO)Cc3ccccc3)cccc21 5663861 QKFKHDZDAOARKV-UHFFFAOYSA-N 417.461 3.041 10 1 HGCF COc1cc2c(cc1OC)[C@]1(C(=O)N(CCN=[N+]=[N-])c3ccccc31)N(C)[C@H](C)C2 962640883 SBGXDBPPHCBHTC-JLCFBVMHSA-N 407.474 3.481 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587819001 GFYODNRWPGLSLH-VRDVMMCMSA-N 410.283 3.091 10 1 HGCF CCN(CC)CCn1nc2c3c(c(NCCC(=O)O)ccc31)C(=O)c1ccccc1-2 28757583 LKYZKXYFIKHRHI-UHFFFAOYSA-N 406.486 3.476 10 1 HGCF CN(C)CCn1nc2c3c(c(NCCc4ccccn4)ccc31)C(=O)c1ccncc1-2 95586439 PZFWIJVCBABNAF-UHFFFAOYSA-N 412.497 3.254 10 1 HGCF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 15936222 FESMVHJICDVKJC-GOSISDBHSA-N 410.474 3.322 10 3 HGCF CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 473135595 JTPHTXBUEPWYFR-LJQANCHMSA-N 420.542 3.032 10 1 HGCF O=C(O)C[C@@H]1Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 210025668 ZWCIXZKNLVQESJ-PFOXWKGBSA-N 424.361 3.208 10 1 HGCF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(=O)c1ccccc1)C2 100645186 SCOHSAGQPWTNRN-CZYKHXBRSA-N 408.498 3.063 10 1 HGCF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)o1 169689013 SVORYLYQJBZKTA-UXHICEINSA-N 406.438 3.399 10 1 HGCF CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC(C)C)ncnc21 82177912 PDWOJNIUMZMQPI-UHFFFAOYSA-N 421.549 3.298 10 1 HGCF CN(C)c1ccc(/C=C2\C[C@](CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 1857747068 JOBSWTWSOLMKSR-BVZCLVNKSA-N 415.873 3.324 10 1 HGCF CN(C)CCc1cn(CCCCCCCN2CC2)c2c1C(=O)c1ccncc1C2=O 71342010 BZWFBOIYWAWFFH-UHFFFAOYSA-N 408.546 3.029 10 1 HGCF COc1cc(C(=O)C(=O)c2ccccc2C(=O)N2CCCCC2)cc(OC)c1OC 26248516 GQBYTANIBJFNGY-UHFFFAOYSA-N 411.454 3.404 10 1 HGCF O=C(O)Cc1ccc(Nc2c3ccccc3nc3c(OC[C@H](O)CO)cccc23)cc1 31440086 BCALOLQGHRIOQF-QGZVFWFLSA-N 418.449 3.491 10 1 HGCF COc1ccc(N2CCN(C[C@H]3CN4C(SC)=Nc5ccccc5C4=N3)CC2)cc1 100740257 VFSCNJGFIPRZNN-KRWDZBQOSA-N 421.570 3.312 10 1 HGCF COc1cccc(OC)c1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103210733 MWGSISOEVWCPLW-VGMYHVDBSA-N 418.841 3.345 10 1 HGCF Nc1c(S(=O)(=O)O)cc(Nc2ccccc2F)c2c1C(=O)c1ccccc1C2=O 653827900 FBGMUKRMGCTAQJ-UHFFFAOYSA-N 412.398 3.174 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587764237 CKAOOXVACYAXKI-MPBGBICISA-N 418.310 3.148 10 1 HGCF NCCCC[C@@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 64448848 PAWFKGZSYHOYLN-HXUWFJFHSA-N 417.509 3.019 10 1 HGCF Cn1cc(C2=C(c3ccc4cc5n(c4c3)CC[C@H](CN)C5)C(=O)NC2=O)c2ccccc21 29056800 BSIMBBIIZZPATQ-HNNXBMFYSA-N 424.504 3.221 10 1 HGCF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc(O)c4O)[C@@H](C2)C3=O 587451076 OMTXXIIJCVXPTR-FYSMJZIKSA-N 400.386 3.342 10 1 HGCF Oc1ccc(Br)cc1C1=NN[C@H](c2cc3ccccc3n3nnnc23)C1 1857583319 ONFTUMHYZLIWDV-HNNXBMFYSA-N 409.247 3.184 10 1 HGCF [N-]=[N+]=NC[C@H]1O[C@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 49785960 LKUJKHJDZZJMGB-BYNQJWBRSA-N 405.625 3.344 10 1 HGCF O=c1oc2ccc(NCc3cc(O)ccc3O)cc2c(=O)n1CCc1ccc(F)cc1 13491730 WLZVWENDIUXOFU-UHFFFAOYSA-N 422.412 3.360 10 1 HGCF Oc1ccccc1CNC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356286978 BMLBXJJRQLBVNW-LSWJPFSZSA-N 412.461 3.427 10 1 HGCF CCN(CC)CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12 473110532 WSTVJDUCJGTVHX-UHFFFAOYSA-N 415.442 3.306 10 1 HGCF CN(C)C(=O)c1ccc2c(c1)[C@](CCC(=O)O)(c1cc(Cl)ccc1O)NCC2 962926399 BYSPMLJSCSSLJK-OAQYLSRUSA-N 402.878 3.002 10 1 HGCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc([N+](=O)[O-])c2)c1=O 169320237 HLHQJMGCPDOWLS-VHEBQXMUSA-N 413.375 3.167 10 1 HGCF COC(=O)c1ccc(O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962719130 SFVPFEMXMCXKOW-GDBMZVCRSA-N 413.323 3.025 10 1 HGCF Oc1ccc(C[C@H]2c3cc(O)c(O)cc3C[C@H]3c4cc(O)c(O)cc4CCN23)cc1O 12153739 FAGGKCPHMLDUDN-ROUUACIJSA-N 421.449 3.360 10 1 HGCF biogenic COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2O)c1 103191385 OBPQXTXLZHXTIO-QGZVFWFLSA-N 423.288 3.082 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587845436 ANFVTVVOVLWFCF-RTHLEPHNSA-N 406.192 3.452 10 1 HGCF O=Cc1ccc(OCc2cn(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)cc1 1772589507 SQRFYIWEJAQLDV-UHFFFAOYSA-N 423.428 3.493 10 1 HGCF O=C(CCN1CCCC[C@H]1CCO)Nc1cccc2c1C(=O)c1ccccc1C2=O 6117148 GLELNWBKLYTRNR-INIZCTEOSA-N 406.482 3.028 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587837269 FDNIFNRJUMCCIA-DCXZOGHSSA-N 408.223 3.086 10 1 HGCF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@H](Nc2ccccc2C(=O)O)CC=CC=C[C@H]1O 2356847437 OWDJOZOLRGWRFL-CYFNAFFESA-N 424.453 3.401 10 1 HGCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 587404431 QDMNHBBVLPIXCY-HSZRJFAPSA-N 403.390 3.147 10 1 HGCF CCCCc1ccc(Nc2nc3c(ncn3[C@H]3C[C@H](O)[C@@H](CN=[N+]=[N-])O3)c(=O)[nH]2)cc1 17259686 LFJHCRIDEWWIKI-ARFHVFGLSA-N 424.465 3.165 10 1 HGCF COc1c2c(c3cc4c(cc3c1OC)OCO4)N(C)[C@H](O)c1c-2ccc2c1OCO2 2356507462 BAADEEPBPGUGSI-JOCHJYFZSA-N 409.394 3.422 10 1 HGCF CN(C)CCCOc1ccc2c(c1)C(=O)c1c-2n(CCN(C)C)c(=O)c2ccccc12 71330859 SROULBSAGSIVES-UHFFFAOYSA-N 419.525 3.105 10 1 HGCF COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12 1772641123 WIOZSWXTSYAXRC-UHFFFAOYSA-N 405.520 3.021 10 1 HGCF Cc1cccc2cc([C@@H]3CC(c4cc(Br)ccc4O)=NN3)c3nnnn3c12 1857651685 GPLVKIRYCPWMNU-INIZCTEOSA-N 423.274 3.493 10 1 HGCF CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12 84375145 DUHKNPFUZICFJG-UHFFFAOYSA-N 409.486 3.270 10 1 HGCF CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 473135594 JTPHTXBUEPWYFR-IBGZPJMESA-N 420.542 3.032 10 1 HGCF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc([N+](=O)[O-])c2O)N1 962696042 JXJKPZMCXHLPNK-OCCSQVGLSA-N 400.284 3.147 10 1 HGCF CN1CCN(c2ncc([N+](=O)[O-])c(Nc3ccccc3C(=O)c3ccccc3)n2)CC1 64516612 PXUBOTSJFQFZIZ-UHFFFAOYSA-N 418.457 3.111 10 1 HGCF C[C@@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 1857545780 WNUOARVONLZPJK-XWIAVFTESA-N 406.452 3.347 10 1 HGCF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(Cc3ccccc3O)CCN21 2356302983 IAEPEHYYYFJISK-HXUWFJFHSA-N 413.949 3.466 10 1 HGCF O=C(/C=C/c1ccc(O)cc1)OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 103236895 KCZMHHVFUMWLAY-RMKNXTFCSA-N 416.385 3.335 10 1 HGCF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(N2CCN(CCO)CC2)cc1Cl 963005518 FJDUNIAGUVDBCQ-HXUWFJFHSA-N 405.995 3.368 10 1 HGCF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc([N+](=O)[O-])c2O)N1 962696044 JXJKPZMCXHLPNK-TZMCWYRMSA-N 400.284 3.147 10 1 HGCF COc1cc2ncnc(Sc3nccs3)c2cc1OCCCN1CCOCC1 84757797 XOSVEOSYANFPFC-UHFFFAOYSA-N 418.544 3.347 10 1 HGCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCO[N+](=O)[O-])c4ccccc34)[C@@H]21 653819655 LECQJUWCGABYGO-OAQYLSRUSA-N 406.442 3.387 10 1 HGCF CCCCC[C@H]1C(=O)Oc2cc(O)c3c(c21)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C3 155684901 QWZSFQOVAPABIE-VATIQMLTSA-N 416.426 3.129 10 1 HGCF O=S(=O)(Nc1ncn(C2CCCC2)n1)c1cc(Br)cc(Cl)c1O 1911574775 ZTNASIJCJJOEPJ-UHFFFAOYSA-N 421.704 3.316 10 1 HGCF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)N(C)C)nc4)s3)[nH]nc21 653836232 OWVRCTLRAWWWOH-UHFFFAOYSA-N 408.487 3.022 10 1 HGCF C/C(=C\C(=O)O)c1ccc(N2CCOCC2)c(-n2cc(-c3ccc(F)cc3)nn2)c1 1857552939 WNHFJGBFYGGGEO-NTCAYCPXSA-N 408.433 3.398 10 1 HGCF CCOc1ccc(N2CCC(c3[nH]nc4c3[C@@](O)(C(F)(F)F)CC(=O)N4)CC2)cc1 1857561968 OIXLRUCXZASFAD-LJQANCHMSA-N 424.423 3.285 10 1 HGCF CC(C)NC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O 72141424 UNLXYHQMIQDKTC-UHFFFAOYSA-N 412.243 3.010 10 1 HGCF CN1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297472 DVICIHILSKJLKL-ZAOYMGCJSA-N 418.497 3.477 10 1 HGCF Cc1cc2c(cc1O)[C@@](C)(c1ccc(Br)c(F)c1O)N[C@H](C(=O)O)C2 963547954 CNPOROHCVZFHRG-SCLBCKFNSA-N 410.239 3.170 10 1 HGCF Oc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[C@H]3Cc4cc(O)c(O)cc4[N+]13CC2 40423191 PTYAOGZKZAVRNA-SVSOVTBISA-O 420.441 3.378 10 1 HGCF CCNC(=O)Nc1nc2cc(-c3cc(C)n(CC)c(=O)c3)c(=O)n(C(C)C)c2s1 103264839 QTURTFTWEFXRHE-UHFFFAOYSA-N 415.519 3.337 10 1 HGCF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@@H](Nc2ccccc2C(=O)O)CC=CC=C[C@H]1O 2356847440 OWDJOZOLRGWRFL-YHJVDBJQSA-N 424.453 3.401 10 1 HGCF COc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)cc(O)c1O 587786423 UCPYRWFGCFFWBB-IHWYPQMZSA-N 409.183 3.153 10 1 HGCF C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 95901741 LSNSUZUVRXFZLV-MOXAOEEZSA-N 410.514 3.015 10 1 HGCF O=c1cc(CSc2nnc(-c3ccccc3)n2NCc2ccccc2O)occ1O 1772626584 JOMYKDIFPVUAKM-UHFFFAOYSA-N 422.466 3.346 10 1 HGCF O=C1/C(=C/c2cc(F)ccc2F)SC(=S)N1NS(=O)(=O)c1ccccc1 13680706 LMHPCXRZMUZWLR-ZROIWOOFSA-N 412.464 3.060 10 1 HGCF COc1cccc(N2CCN(CC(=O)N[C@H]3c4c(O)ccc(C)c4CC3(C)C)CC2)c1 84462327 NEHVUVIRNFJHKR-DEOSSOPVSA-N 423.557 3.271 10 1 HGCF COc1cc2c(cc1OC)[C@@]13CC[C@H]4C(=CCO[C@@H]5CCN2[C@@H]1[C@H]54)CN(C#N)CC3 2356415899 AGGOIZXUFZURQH-QBCMNUGDSA-N 407.514 3.072 10 1 HGCF COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c3c2CCCO3)cc(O)c1O 2356447438 SDDOKAHBIBWZJH-KRWDZBQOSA-N 416.470 3.023 10 1 HGCF CC(C)(C)OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 28875246 YUAPSLFMKBPXJT-MBNRZODZSA-N 416.426 3.018 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587798275 ZNTNHPPRWQRTNQ-OVWNDWIMSA-N 404.283 3.384 10 1 HGCF CN1C[C@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]21 253632609 BTLXNTWNCUMBTR-KJXAQDMKSA-N 404.510 3.185 10 1 HGCF CN1Cc2c(C3=CCCN(S(C)(=O)=O)C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772625719 KPWISPLSYOSJLL-UHFFFAOYSA-N 412.490 3.368 10 1 HGCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCN1CCCCC1 5434170 NZTZOYGYSUTPKB-PMACEKPBSA-N 417.594 3.241 10 1 HGCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCN(c4ccccn4)CC3)[nH]c21 95592227 BNGIRLBVYSSWAK-UHFFFAOYSA-N 423.476 3.056 10 1 HGCF CC(C)N1CNc2c(NCc3ccc(N)cc3)nc(N3CCCC[C@H]3CCO)nc21 1772610123 KLKAHYLWRXRGPT-SFHVURJKSA-N 411.554 3.010 10 1 HGCF CC(=CCC[C@]1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1)CC[C@@H](O)C(C)(C)O 2356621761 PDWIAPUTGYIPGU-AUSIDOKSSA-N 401.503 3.438 10 1 HGCF COc1cccc(N2CCN(CC(=O)N[C@@H]3c4c(O)ccc(C)c4CC3(C)C)CC2)c1 84462326 NEHVUVIRNFJHKR-XMMPIXPASA-N 423.557 3.271 10 1 HGCF Cn1nnnc1Sc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 84652621 VPBYZPLODGCQSJ-UHFFFAOYSA-N 419.513 3.082 10 1 HGCF O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1 34790483 QKEQKHXDKAMDDD-UHFFFAOYSA-N 400.394 3.408 10 1 HGCF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(N)cc1 104581533 OGEMRRQNEHEZDB-DLXJUEFZSA-N 413.562 3.418 10 1 HGCF O=c1cc(CNCc2cccc(I)c2)oc2ccc(O)c(O)c12 71340669 ZMUXMKJQWMEVDJ-UHFFFAOYSA-N 423.206 3.099 10 1 HGCF Cc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cc(Cl)ccc3O)C2)cc1 299856040 BOLAHBYKYUNDAM-HXUWFJFHSA-N 413.905 3.364 10 1 HGCF Nc1ccc(Oc2ccc3nc(CCc4ccc(S(N)(=O)=O)cc4)[nH]c3c2)cc1 586929658 GTPIIXXFDWQUGC-UHFFFAOYSA-N 408.483 3.370 10 1 HGCF COc1ccc(O)c(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)c1 12003030 HNXLLVBHPRGDET-NRFANRHFSA-N 410.514 3.344 10 1 HGCF O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCC1)c1c(Cl)cccn21 1857746482 UQZGCSOXVCNGCV-UHFFFAOYSA-N 423.856 3.016 10 1 HGCF CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 45497561 SZJOCIIHQCCREV-UHFFFAOYSA-N 409.467 3.470 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586947989 AXEALBLGPPOLTQ-UHFFFAOYSA-N 417.672 3.118 10 1 HGCF COc1ccc(N(CCCC(=O)O)Cc2cc(OC)c(OC)c(OC)c2)cc1O 27754288 VEBXCCUHIKFLMP-UHFFFAOYSA-N 405.447 3.298 10 1 HGCF CC(=O)Nc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27845633 SRKVESAGOWZHOT-UHFFFAOYSA-N 401.470 3.186 10 1 HGCF COC[C@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1cc(O)c(O)c(OC)c1 15272046 RSRAOKVDJGLBST-ROUUACIJSA-N 420.502 3.434 10 1 HGCF biogenic Cc1ccc(C)n1-c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H](O)C2)ccc1C(=O)O 221053831 IYDGZPKPDAJGCC-IRLDBZIGSA-N 404.466 3.393 10 1 HGCF CCOc1ccc(/N=N/[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccccc3)N=C2C)cc1 102967874 SYHABPMUAFSJJO-BBJJLJPOSA-N 407.430 3.311 10 1 HGCF C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95660998 KEYZBOWAMAUVGG-BEFAXECRSA-N 405.539 3.018 10 1 HGCF CN(C)c1ccc(/C=C/C2=C(C(=O)O)[C@H](c3ccc(N(C)C)cc3)NC(=O)N2)cc1 103187827 JIEFIMCESQILDI-MYHKYFONSA-N 406.486 3.225 10 1 HGCF COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c(O)c1CN1CCN(C)CC1 49069647 GWQNBYJGRHHDOK-UHFFFAOYSA-N 404.894 3.041 10 1 HGCF Cc1sc2c(c1C)CCN[C@H]2c1ccc(N2CCN(CCO)CC2)cc1Cl 963005499 FJDUNIAGUVDBCQ-FQEVSTJZSA-N 405.995 3.368 10 1 HGCF Oc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[C@H]3Cc4cc(O)c(O)cc4[N@@+]13CC2 253651297 PTYAOGZKZAVRNA-ATLLOTDBSA-O 420.441 3.378 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607197 LCPMQYAMWBMGSM-KDOFPFPSSA-N 404.315 3.227 10 1 HGCF CCCNCCNc1ccc(NCCNCCC)c2c1C(=O)c1ccccc1C2=O 5114696 VBSWVWIXVXWWTQ-UHFFFAOYSA-N 408.546 3.285 10 1 HGCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCn1ccnc1 28455903 FJTPTTAGKKSBLR-UHFFFAOYSA-N 412.493 3.479 10 1 HGCF CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])C=C(C(=O)O)O[C@H]1CNc1ccc(-c2ccccc2)cc1 95581770 HQQZEAXFEDVGCI-YSIASYRMSA-N 407.430 3.316 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587823976 XZKRIXIQUWYCHZ-YYSFKGJASA-N 410.239 3.056 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587820500 DNTYAHDGFYHCDR-NIVTXAMTSA-N 410.239 3.056 10 1 HGCF CS(=O)(=O)NCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 84689350 KQUXZKMGULQETQ-UHFFFAOYSA-N 424.522 3.323 10 1 HGCF CC(=CCC[C@]1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1)CC[C@H](O)C(C)(C)O 2356621763 PDWIAPUTGYIPGU-WMZHIEFXSA-N 401.503 3.438 10 1 HGCF Cc1ncc(COP(=O)(O)O)c(C/N=N/C(=O)c2nc3ccccc3s2)c1O 98208123 GUGJKPFDBSWCQD-CZIZESTLSA-N 422.359 3.107 10 1 HGCF in-vitro COc1ccc(N2CCN(CCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)cc1 103199298 YMXSMDZYCJVGLB-UHFFFAOYSA-N 424.932 3.395 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCO)CCO)cc2)N1 587741811 PGOPUBGHOHILJS-RBZFPXEDSA-N 423.326 3.003 10 1 HGCF O=Cc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(O)c(O)c1O 962961265 RMIDHPOXBQTPQL-MRXNPFEDSA-N 423.387 3.376 10 1 HGCF C[C@H](Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1)NC(=O)C(F)F 149647348 WJVWQCVTBNGCJH-CQSZACIVSA-N 402.441 3.374 10 1 HGCF O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1Cc1ccncc1 169327336 UNDNPPCOFQURCS-UUASQNMZSA-N 401.425 3.120 10 1 HGCF O=C(O)CCN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)s2)C1=O 29043850 BNSWWFGOZGEBCU-ZSOIEALJSA-N 419.436 3.330 10 1 HGCF COc1ccc2nc(C[C@@H]3CN(Cc4ccccc4O)CC[C@@H]3CC(=O)O)[nH]c2c1 2356649198 CRPDPOPXDWPWKX-NVXWUHKLSA-N 409.486 3.433 10 1 HGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cn1 72122904 HVROOHHMDBGQFI-UHFFFAOYSA-N 415.453 3.150 10 1 HGCF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCC[C@@H]3CCO)sc21 299823885 BTTUFDVVBPPSGD-LLVKDONJSA-N 424.478 3.224 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 586948173 FERBBXNCKHQRFD-UHFFFAOYSA-N 400.229 3.209 10 1 HGCF COC(=O)c1ccc(O)c([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962719136 SFVPFEMXMCXKOW-ZBFHGGJFSA-N 413.323 3.025 10 1 HGCF COc1c2cc(c(O)c1OC)CCCCC(=O)[C@H](OC)Cc1cc(O)c(O)c-2c1 45505802 VSWSCBZOQFDYLA-GOSISDBHSA-N 402.443 3.341 10 1 HGCF biogenic COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O 587453037 WSEMPNGOYDUNRZ-HJPURHCSSA-N 406.390 3.209 10 1 HGCF O=C(Nc1ccnnc1)c1cc(N2CCC(O)CC2)ccc1OCc1ccccc1 1857544991 AWBFKQBDZYCFSP-UHFFFAOYSA-N 404.470 3.269 10 1 HGCF CNC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341939 ZWGDOCYSFPSFFR-FYYLOGMGSA-N 409.413 3.416 10 1 HGCF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1ccc(F)cc1O 963148341 PVWXAYFRENRILH-BFUOFWGJSA-N 408.451 3.498 10 1 HGCF CCOC(=O)c1c2c(n3cc(Cl)ccc13)C(=O)c1cc(C(=O)OC)sc1C2=O 84688182 ISAIHDZYTLSEAX-UHFFFAOYSA-N 417.826 3.393 10 1 HGCF CCCCCC[n+]1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O 1857538632 PDENXPLLGOBBPR-UHFFFAOYSA-N 405.434 3.424 10 1 HGCF Cc1ccccc1C(=O)NCCCCC[C@H](C)NC[C@@H](O)c1ccc(O)c(O)c1 27712479 GKBCYWLQVKTJIJ-HTAPYJJXSA-N 400.519 3.408 10 1 HGCF NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCO5)CC3)c2c1 1540000 CINVAGCQZHMSDL-UHFFFAOYSA-N 420.513 3.140 10 1 HGCF CN(Cc1ccc(N)cc1)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 29040375 SGEGCNYIFRLAHP-IBGZPJMESA-N 406.317 3.187 10 1 HGCF CCN(CC)C(=O)c1cc2cc(O)c(O)c([N+](=O)[O-])c2cc1C(=O)N(CC)CC 653876721 WZSMUKJKASLWBP-UHFFFAOYSA-N 403.435 3.123 10 1 HGCF COc1ccc2nc(NC(=O)N3CCN(c4ccc5c(c4)OCO5)CC3)sc2c1 40567017 QWPVCPQFSATXQY-UHFFFAOYSA-N 412.471 3.388 10 1 HGCF CN(C)/N=N\C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=N/N(C)C 84466219 OJXRTGXEJOAQHX-BVRZNMBMSA-N 404.474 3.421 10 1 HGCF Cc1ccc(C)n1-c1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)ccc1C(=O)O 219909625 LSZZQAHMQDSXGP-UHFFFAOYSA-N 419.481 3.460 10 1 HGCF COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2S(N)(=O)=O)cc1 299865510 UCUXFIMSMXHBSO-HNNXBMFYSA-N 409.895 3.026 10 1 HGCF CCC1(CC)C(=O)N(C(=O)NCc2ccc(N)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 27202755 NFJUNWRTNMPXJJ-HXUWFJFHSA-N 411.458 3.230 10 1 HGCF CN1C[C@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]21 253632610 BTLXNTWNCUMBTR-UNWVZKJWSA-N 404.510 3.185 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587818451 DJTFMJZZTBWMLE-OJWKLUMYSA-N 410.283 3.091 10 1 HGCF CCOC(=O)c1c2c(n(C)c1COC)C(=O)C(=O)c1ccc(Br)cc1-2 2074908 WIXFQUANCTYFHQ-UHFFFAOYSA-N 406.232 3.157 10 3 HGCF COc1ccc(Cn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1 103233293 NFVRGTWKESPFDJ-UHFFFAOYSA-N 403.438 3.132 10 1 HGCF CC(=O)OCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)CC2=O 2356726510 NMDAXWXNNIQNFH-FQEVSTJZSA-N 414.410 3.267 10 1 HGCF COc1ccc(/C=C/C(=O)NCC(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 15837269 SOOWOTNTGUWAMZ-ZMINHXOKSA-N 423.385 3.230 10 1 HGCF O=C(O)CCCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 2457278 DNTDIOXMBDMFDY-UHFFFAOYSA-N 407.426 3.153 10 1 HGCF Oc1cc(/C=C/C(=S)NCc2ccc(O)c(O)c2O)cc(Br)c1O 96172816 SIUHXQQPNZZXDC-DAFODLJHSA-N 412.261 3.108 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587764236 CKAOOXVACYAXKI-FKIZINRSSA-N 418.310 3.148 10 1 HGCF Cc1cccc(C(=O)N2CCCCC2)c1NS(=O)(=O)c1cccc2nsnc12 35065164 MSBGELKPZVCGMI-UHFFFAOYSA-N 416.528 3.427 10 1 HGCF CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3F)o2)C1=O 1857578957 NGRFFXKIYUCBCH-NVNXTCNLSA-N 419.386 3.383 10 1 HGCF Cc1ccc2cc([C@H]3CC(c4cc(Br)ccc4O)=NN3)c3nnnn3c2c1 1857773843 LFVAFZIEJKLPEV-MRXNPFEDSA-N 423.274 3.493 10 1 HGCF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N4CCN(C)CC4)cc3)C2)cc1OC 1857609887 WQEXQLNOSVQQKJ-QFIPXVFZSA-N 422.529 3.153 10 1 HGCF CC(=O)OC[C@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C 14774189 BGZVSJZLXITKCI-ADOKNTFMSA-N 404.459 3.319 10 1 HGCF biogenic CC(=O)Nc1cnccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205525245 VXCPGCDBUNFGFJ-UHFFFAOYSA-N 401.348 3.461 10 1 HGCF CC(=O)C[C@@]1(c2cc(F)ccc2O)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962643259 PZUPUOXSQQOEIP-RPWUZVMVSA-N 422.456 3.401 10 1 HGCF CN(C)c1ccc(/C=C2\C[C@@](CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 1857747069 JOBSWTWSOLMKSR-JRVGGCGHSA-N 415.873 3.324 10 1 HGCF CCOc1cc(C(=O)OCC(=O)NCc2ccc(N(C)C)cc2)ccc1OC(F)F 7096695 MWCPUQBZBFTUAS-UHFFFAOYSA-N 422.428 3.226 10 1 HGCF biogenic O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1cc(O)c(O)c(O)c1 40379760 NACTWVSUBOEZDJ-UHFFFAOYSA-N 422.349 3.268 10 1 HGCF COc1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 40934820 FEDPWPGNUBQIHV-NRFANRHFSA-N 423.494 3.404 10 1 HGCF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587094193 MKCYVRTVYZOPQY-VIFPVBQESA-N 401.344 3.468 10 1 HGCF CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 587784684 CCWFMQOFQOKNHR-VMPITWQZSA-N 417.487 3.232 10 1 HGCF COc1ccc(N2CCN(C(=O)Oc3cccc(N4CCOCC4)c3)[C@H](C)C2)cc1 1857612230 AVBXUDQEMJNQIA-GOSISDBHSA-N 411.502 3.241 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586948375 OHNZVGFGKIFLSW-UHFFFAOYSA-N 405.439 3.403 10 1 HGCF COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(C(=O)OC)oc2cc(O)c(O)cc12 14725636 IVZFDKACPFMQDJ-UHFFFAOYSA-N 414.322 3.242 10 1 HGCF biogenic O=c1cc(CNCc2ccccc2I)oc2ccc(O)c(O)c12 71331820 DLKJBUVTWZOPLO-UHFFFAOYSA-N 423.206 3.099 10 1 HGCF O=[N+]([O-])c1ccc(-c2nnc(CCSC(=S)NCc3cccnc3)o2)cc1 653708995 FSBQXSXXYMSYCO-UHFFFAOYSA-N 401.473 3.390 10 1 HGCF CN1CCc2cn(C)nc2[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 963954460 KVAVOATXKFUJJQ-VWLOTQADSA-N 401.558 3.320 10 1 HGCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3F)OCCO4)C2)cc1 1772642251 CWQOWPJDUVAGFA-KSSFIOAISA-N 400.450 3.452 10 1 HGCF CCOC(=O)C[C@H](N=[N+]=[N-])[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975654 YCXJVEDXNRQACT-MMPTUQATSA-N 402.785 3.064 10 1 HGCF CCCCc1ccc(Nc2nc3c(ncn3[C@H]3C[C@@H](O)[C@@H](CN=[N+]=[N-])O3)c(=O)[nH]2)cc1 17259678 LFJHCRIDEWWIKI-BZUAXINKSA-N 424.465 3.165 10 1 HGCF Cc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1C 13680716 SQNLFCVBNSTXSV-WJDWOHSUSA-N 404.538 3.398 10 1 HGCF Cc1ccc(NC(=O)NCCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27726682 BORFATDBQZJMKK-HRAATJIYSA-N 401.507 3.410 10 1 HGCF O=C(c1cc(O)c(O)cc1Br)c1cc(O)c(O)cc1Br 84596633 BPSPZTHEMXBDSM-UHFFFAOYSA-N 404.010 3.265 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587818998 GFYODNRWPGLSLH-OJWKLUMYSA-N 410.283 3.091 10 1 HGCF Cc1ccc2c(c1)C(=O)[C@]1(NCCc3c(C)ccnc31)[C@@H](c1ccc(O)c(O)c1)O2 963074784 XZTUGJPZJRZXQC-RPWUZVMVSA-N 402.450 3.467 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587820499 DNTYAHDGFYHCDR-LZVRBXCZSA-N 410.239 3.056 10 1 HGCF COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H](COC)Cc1cc(O)c(O)c(OC)c1 15272038 RSRAOKVDJGLBST-QZTJIDSGSA-N 420.502 3.434 10 1 HGCF biogenic Cn1c(O)c(C2=NNC(=O)C2=Cc2c(O)ccc3ccccc23)c(=O)c2ccccc21 2356856133 RXLVSBRYTAAWKR-UHFFFAOYSA-N 411.417 3.020 10 1 HGCF Cc1cccc2c1cc([C@H]1CC(c3cc(Br)ccc3O)=NN1)c1nnnn12 1857598124 GKIKURDZUVPFKD-MRXNPFEDSA-N 423.274 3.493 10 1 HGCF O=C(CN1CCOCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)ccc1O 299870336 WCLRZFDUWORNRO-LJQANCHMSA-N 417.868 3.195 10 1 HGCF Cc1ccc(C)n1-c1cc(C(=O)N2CCN(c3cccnc3)CC2)ccc1C(=O)O 219909304 XZEOQIWLKDBCPN-UHFFFAOYSA-N 404.470 3.150 10 1 HGCF COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(O)c1)N(C(=O)c1ccccc1N)CC2 963155373 GPSUCMMGZRWCRF-HSZRJFAPSA-N 420.465 3.485 10 1 HGCF COC(=O)CCCCC(=O)Nc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95597286 DUPHEXXVEMPQEX-UHFFFAOYSA-N 418.449 3.422 10 1 HGCF Cn1cc(C2=C(c3ccc4cc5n(c4c3)CC[C@@H](CN)C5)C(=O)NC2=O)c2ccccc21 29056804 BSIMBBIIZZPATQ-OAHLLOKOSA-N 424.504 3.221 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587836557 AIAWGEKPAPXPSA-DCXZOGHSSA-N 408.223 3.086 10 1 HGCF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587094192 MKCYVRTVYZOPQY-SECBINFHSA-N 401.344 3.468 10 1 HGCF CCOC(=O)C[C@H](N=[N+]=[N-])[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975652 YCXJVEDXNRQACT-GDLVEWKHSA-N 402.785 3.064 10 1 HGCF Cn1cc([C@@]2(c3ccccc3O)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cn1 962732128 XCXOJPNNWNZMIR-YLJYHZDGSA-N 401.388 3.063 10 1 HGCF Oc1ccc(C[C@H]2c3c(ccc(O)c3O)C[C@@H]3c4cc(O)c(O)cc4CCN23)cc1O 85969664 ZACYZCVUMCBPOD-SJORKVTESA-N 421.449 3.360 10 1 HGCF CCCC[C@H](CNC)COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O 85592728 VPPBKLDNHFZLDM-CQLNOVPUSA-N 413.514 3.499 10 1 HGCF biogenic,in-vitro Nc1c(S(=O)(=O)O)cc(Nc2cccc(F)c2)c2c1C(=O)c1ccccc1C2=O 66074518 XPJJVUHZNXODOA-UHFFFAOYSA-N 412.398 3.174 10 1 HGCF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H](OC(=O)[C@@H]2N=NN)O1 2356817640 UNITWFMNAQJUIZ-NZEYMJGSSA-N 401.580 3.103 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587820494 DNTYAHDGFYHCDR-DYBLOJMWSA-N 410.239 3.056 10 1 HGCF COc1cccc(-c2c(C[C@H](N)C(=O)O)c(C=[N+]=[N-])nc3c2oc2ccccc23)c1 587363991 YDQFLIVYMDHTSW-INIZCTEOSA-N 402.410 3.260 10 1 HGCF Oc1cc(Br)c(/C=C/C(=S)NCc2cc(O)c(O)c(O)c2)cc1O 68152836 BOONYZWYEWWWCV-OWOJBTEDSA-N 412.261 3.108 10 1 HGCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 962958588 QJVYZJDJXPKGOJ-MYYSRTQBSA-N 402.498 3.125 10 1 HGCF CCCCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c(O)c1 13341244 QACLUURODSWXLR-QKWWCAPFSA-N 416.426 3.020 10 1 HGCF biogenic,in-vitro CC(C)c1nn(C)c2c1[C@]1(C=C(c3cccc(O)c3)Oc3cc(O)c(O)cc31)NCC2 962919027 OOMPTFABHZSAFF-XMMPIXPASA-N 419.481 3.483 10 1 HGCF COC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)c2oc(-c3ccc(O)c(O)c3)cc12 1772635032 KVDIEDCNEMWWIJ-LZGFCCKTSA-N 411.410 3.211 10 1 HGCF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@@H]2C[C@H]2c2ccc(OC(F)F)cn2)n1 209430348 DDTRNWDSNZFBCL-GOEBONIOSA-N 414.412 3.330 10 1 HGCF Cc1cccc(COc2cccc(/C=C3\C(=O)NN(C(=O)c4ccncc4)C3=O)c2)c1 40938353 VZWVISJSSCQPAP-KGENOOAVSA-N 413.433 3.066 10 1 HGCF COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1 3986678 QTDOPNDTFBPKHU-UHFFFAOYSA-N 406.530 3.420 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587848840 IZQMHGWDOYWZKA-RMLUDKJBSA-N 406.192 3.452 10 1 HGCF CCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCC)[C@@H](c1ccc(O)c(O)c1)O2 1772596873 QNJRJGPVTFCVCS-QNFQMBCCSA-N 414.410 3.160 10 1 HGCF Cc1ccc(C(=O)NCCCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27716579 OLJJYMQPHSAKHY-JTSKRJEESA-N 400.519 3.408 10 1 HGCF CN(C)C(=O)CN1CCC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)C1 1772574771 UNDAAOCZXBUKJT-UHFFFAOYSA-N 419.504 3.496 10 1 HGCF CN(C)/N=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C 58538415 OJXRTGXEJOAQHX-HYGJRNGPSA-N 404.474 3.421 10 1 HGCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)N[C@@H](CO)CC(C)C 2356874143 YTDHQSLLZYXPLG-WSTZPKSXSA-N 406.567 3.162 10 1 HGCF COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(O)c1O 2356544891 HTHZLCXYYQFBSC-CILWKZBWSA-N 418.442 3.073 10 1 HGCF Cn1c(O)c(C2=NNC(=O)C2=CNc2ccc3ccccc3c2)c(=O)c2ccccc21 2356853899 RKNQIFFBYAHPOT-UHFFFAOYSA-N 410.433 3.227 10 1 HGCF COc1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(O)c1O 587785282 KFVXBUOGSOOHMW-GORDUTHDSA-N 414.361 3.447 10 1 HGCF COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12NCCc1c(C)ccnc12 963068357 KKLDTVUDDNEFHA-DEOSSOPVSA-N 418.449 3.304 10 1 HGCF Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3ccccc3c2S(=O)(=O)O)cc1 263611901 XPTYWVPRQGSINY-UHFFFAOYSA-N 407.429 3.331 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587766088 DZJNFGDPFPGLHH-YBTHPKLGSA-N 418.310 3.408 10 1 HGCF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CSc1nccs1 13805744 FNZKSJLLEXLFRT-JZAWBGDQSA-N 417.593 3.159 10 1 HGCF O=C(CN1CCOCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Cl)ccc1O 299870333 WCLRZFDUWORNRO-IBGZPJMESA-N 417.868 3.195 10 1 HGCF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@H](OC(=O)c1ccccc1)C2 253791457 SCOHSAGQPWTNRN-FNAHDJPLSA-N 408.498 3.063 10 1 HGCF COc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)cc(O)c1O 587786446 UCPYRWFGCFFWBB-NSCUHMNNSA-N 409.183 3.153 10 1 HGCF Cc1nc2c(C(=O)NCCc3ccccc3)cnn2c(O)c1Cc1ccccc1F 8592917 SIOQLJRXMAZBTJ-UHFFFAOYSA-N 404.445 3.446 10 1 HGCF O=S(=O)(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1 26749316 JIAJVMIFZOMEGE-UHFFFAOYSA-N 415.559 3.385 10 1 HGCF CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1COC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 40875803 SJAGHGUEEOPKBG-JBAZSPSFSA-N 421.494 3.326 10 1 HGCF O=C(O)Cc1ccc(Nc2c3ccccc3nc3c(OC[C@@H](O)CO)cccc23)cc1 31440089 BCALOLQGHRIOQF-KRWDZBQOSA-N 418.449 3.491 10 1 HGCF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)c1ccc(F)cc1O 963148346 PVWXAYFRENRILH-YJYMSZOUSA-N 408.451 3.498 10 1 HGCF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 4201247 MBUNTRPKMUXCIP-DKRUORJFSA-N 407.514 3.038 10 1 HGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)nc1 72123007 NFAYFPLGXJOIGZ-UHFFFAOYSA-N 415.453 3.150 10 1 HGCF CN(C)C1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 299833086 NVXUWIRLVNZFSN-UHFFFAOYSA-N 423.494 3.013 10 1 HGCF CCc1ccc2nc([C@@H](c3ccc(O)c(O)c3)n3cc(CCN(C)C)nn3)oc2c1 1857759834 NMFZYTRFGMSGPH-OAQYLSRUSA-N 407.474 3.135 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587792664 LWSGLABBTBRETQ-GIGQVBGESA-N 404.283 3.384 10 1 HGCF CC(C)CN(Cc1ccc(N2CC[C@@H](O)C2)cc1)S(=O)(=O)Cc1ccccc1 147268097 CONJPXFUCYVLQH-JOCHJYFZSA-N 402.560 3.246 10 1 HGCF COc1ccc(N(C)c2cc(O/N=[N+](/[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 40566963 KYTLFMMVASKJBL-OQKWZONESA-N 406.355 3.012 10 1 HGCF COc1ccc2nc(C[C@@H]3CN(Cc4ccccc4O)CC[C@H]3CC(=O)O)[nH]c2c1 2356649197 CRPDPOPXDWPWKX-DOTOQJQBSA-N 409.486 3.433 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587775487 SUEYGKUIEWDVOX-PRWKNARSSA-N 418.310 3.408 10 1 HGCF CCOC(=O)[C@@H]1Cc2cc(C(=O)c3ccc(O)c(CN)c3)c(Cl)c(Cl)c2O1 29339320 ARFHLVKVAQOBOU-AWEZNQCLSA-N 410.253 3.255 10 1 HGCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OC[C@@H]1CCCCO1 26503228 KWRNMVFTWXAMRQ-QFIPXVFZSA-N 416.562 3.239 10 1 HGCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 962958578 QJVYZJDJXPKGOJ-IZHWHUGBSA-N 402.498 3.125 10 1 HGCF CN(C)/N=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=N/N(C)C 64311297 OJXRTGXEJOAQHX-UQPPIUPOSA-N 404.474 3.421 10 1 HGCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1 14642632 HRNWMQFQEGGZKA-NHCUHLMSSA-N 410.378 3.116 10 1 HGCF endogenous,in-man CN(C)c1ccc(/C=C/c2cnc(OCCO)c(I)c2)cc1 28643525 WPWFHGOKCHAUPZ-ONEGZZNKSA-N 410.255 3.294 10 1 HGCF Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3C[C@H]3Cc4cc(O)c(O)cc4[N+]31CC2 73196278 MOEZDNUWCWAVCM-SJNSAHPXSA-O 420.441 3.054 10 1 HGCF CC(=O)C[C@]1(O)C(=O)c2c(oc3cc(O)c(O)cc23)-c2oc3cc(O)c(O)cc3c21 169310024 YOKUNGSJWHUOJL-OAQYLSRUSA-N 410.334 3.031 10 1 HGCF Cc1ccc2cc([C@@H]3CC(c4cc(Br)ccc4O)=NN3)c3nnnn3c2c1 1857773842 LFVAFZIEJKLPEV-INIZCTEOSA-N 423.274 3.493 10 1 HGCF O=C(Nc1cc2c(cc1C(=O)O)C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1 66099107 SMPMQQJWCBELPW-UHFFFAOYSA-N 416.345 3.321 10 1 HGCF Oc1c(Br)cc(Cl)cc1CN1CCC(N2CCC(O)CC2)CC1 95591903 UPKDBIXMTVKMCL-UHFFFAOYSA-N 403.748 3.229 10 1 HGCF in-vitro Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)o1 169689011 SVORYLYQJBZKTA-WOJBJXKFSA-N 406.438 3.399 10 1 HGCF O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CNC[C@@H]1c1ccc(C(F)(F)F)nc1 1857603635 ZVHPCQVLRVXJBO-MOPGFXCFSA-N 418.463 3.320 10 1 HGCF CCOC(=O)COc1ccc([S@](=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 28009064 QEMDWMJWZFKAIB-SANMLTNESA-N 418.298 3.266 10 1 HGCF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@@H](Nc2ccccc2C(=O)O)CC=CC=C[C@@H]1O 2356847438 OWDJOZOLRGWRFL-GMVOTWDCSA-N 424.453 3.401 10 1 HGCF O=C1NC(=O)C(=Cc2cn(Cc3ccccc3Br)c3ccccc23)C(=O)N1 45354544 JHLBAKNLBSFBPJ-UHFFFAOYSA-N 424.254 3.202 10 1 HGCF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1O 1857573532 SIBHXJCPROXTFC-QHCPKHFHSA-N 404.510 3.492 10 1 HGCF COc1c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)c(OC)c2occc12 963015925 BBBJHOMDQUPTFM-SFDCACGMSA-N 408.454 3.472 10 1 HGCF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(N2CCN(C(C)=O)CC2)cc1 963052703 GIUUTKVMCQGRRJ-XMMPIXPASA-N 416.525 3.147 10 1 HGCF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586930174 NMMAJNURYXOPJZ-UHFFFAOYSA-N 424.482 3.472 10 1 HGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CNCc3ccc4c(c3)OCO4)[nH]c21 95590136 DFMVMLZXGILBQK-UHFFFAOYSA-N 411.417 3.357 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCO)CCO)cc2)N1 587741822 PGOPUBGHOHILJS-XCLFUZPHSA-N 423.326 3.003 10 1 HGCF COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12NCCc1c(C)ccnc12 963068377 KKLDTVUDDNEFHA-XMMPIXPASA-N 418.449 3.304 10 1 HGCF Cc1ccc(NC(=O)NCCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27726703 BORFATDBQZJMKK-IERDGZPVSA-N 401.507 3.410 10 1 HGCF COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OCCN3CCCC3)c2c1=O 473108260 LQCSHHDMLLRUPO-UHFFFAOYSA-N 413.426 3.060 10 1 HGCF COC(=O)c1cc(Br)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587192886 ILOPXDNZDZIWKC-UHFFFAOYSA-N 404.264 3.208 10 1 HGCF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 790203 MBUNTRPKMUXCIP-DLXJUEFZSA-N 407.514 3.038 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587765033 IFOWPOWXWJFRIC-YUNKPMOVSA-N 418.310 3.148 10 1 HGCF COc1cc2c(cc1OC)[C@]1(C(=O)N(CCN=[N+]=[N-])c3ccccc31)N(C)[C@@H](C)C2 962640891 SBGXDBPPHCBHTC-RCDICMHDSA-N 407.474 3.481 10 1 HGCF Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2cccc(Br)c12 28954970 YAOBOBHCXFOLTN-POHAHGRESA-N 402.277 3.018 10 1 HGCF Cn1cc([C@@]2(c3ccccc3O)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cn1 962732125 XCXOJPNNWNZMIR-FXAWDEMLSA-N 401.388 3.063 10 1 HGCF C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661900 KEYZBOWAMAUVGG-KXBFYZLASA-N 405.539 3.018 10 1 HGCF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587267546 MSYGEEFBWGPWGG-LLVKDONJSA-N 401.382 3.361 10 1 HGCF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2O)[C@H]1Oc1ccc(C(=O)O)cc1 27210566 JEVYIDDPKPIIPD-FQEVSTJZSA-N 412.442 3.354 10 1 HGCF CNc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)NCCN(C)C 27855847 OYPDBVPVJYEKLP-UHFFFAOYSA-N 403.486 3.278 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587766085 DZJNFGDPFPGLHH-BIBXISHDSA-N 418.310 3.408 10 1 HGCF COc1ccc(N2CCN(c3ccc4nnc(-c5cccc(C)c5)n4n3)CC2)cc1 1857597004 CTTVWMUXQJMPQB-UHFFFAOYSA-N 400.486 3.435 10 1 HGCF COc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)NCCN(C)C 27858546 AZTURNILGBJXJD-UHFFFAOYSA-N 404.470 3.245 10 1 HGCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@@](C)(OCCc3ccccc3)OC[C@@H]1C2=O 2356658416 RMDRBXLEUUTIFV-USGALAMMSA-N 412.438 3.114 10 1 HGCF CN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCN(C)C)C2=O 71331005 ONBOSNBFEMCLTA-UHFFFAOYSA-N 419.525 3.105 10 1 HGCF CCOC(=O)[C@H]1Cc2cc(C(=O)c3ccc(O)c(CN)c3)c(Cl)c(Cl)c2O1 29339323 ARFHLVKVAQOBOU-CQSZACIVSA-N 410.253 3.255 10 1 HGCF O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 1857641700 JGOQECCDTGVCPH-UHFFFAOYSA-N 408.870 3.107 10 1 HGCF CN1C(=O)C(=Cc2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=O 40878229 SYQNVQVOMHJJBW-UHFFFAOYSA-N 421.840 3.417 10 1 HGCF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@H](OC(=O)c1ccccc1)C2 27105274 SCOHSAGQPWTNRN-DXBBTUNJSA-N 408.498 3.063 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(S(C)(=O)=O)ccc2O)N1 587851940 YMLOBNUZWRQTMX-VVVCHXIZSA-N 414.296 3.321 10 1 HGCF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OCCc1ccc(N)cc1 29205084 SCOHSAGQPWTNRN-CLAROIROSA-N 408.498 3.063 10 1 HGCF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587274593 QKKIOJPWOMPCBI-NSHDSACASA-N 401.382 3.247 10 1 HGCF CN1C=CC(=CN=NC(=O)c2cc(C(=O)N=NC=C3C=CN(C)C=C3)ncn2)C=C1 1857545984 XNSWWTNMUCWLJY-UHFFFAOYSA-N 402.418 3.375 10 1 HGCF CCCCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 35984063 QACLUURODSWXLR-AQDCRGGLSA-N 416.426 3.020 10 1 HGCF COc1cccc(OC)c1/N=N/C(=C1/NCCN1Cc1cnc(Cl)s1)[N+](=O)[O-] 103201102 ARFMNCNRLBIZDK-SMOVNBQISA-N 424.870 3.406 10 1 HGCF O=C(NCc1ccccc1)c1cc(=O)c(O)c2c(O)c(O)c(Br)cc2c1 1857544349 RJSOQJAFLJWPGZ-UHFFFAOYSA-N 416.227 3.009 10 1 HGCF CC1=NN(c2ccccc2)C(=O)/C1=C/NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 100565161 LPOVZYAQDKNJJI-DEDYPNTBSA-N 422.444 3.346 10 3 HGCF Cc1ccc(NC(=O)NCCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27726691 BORFATDBQZJMKK-IIBYNOLFSA-N 401.507 3.410 10 1 HGCF CCCCc1ccc(Nc2nc3c(ncn3[C@@H]3C[C@@H](O)[C@H](CN=[N+]=[N-])O3)c(=O)[nH]2)cc1 5538511 LFJHCRIDEWWIKI-PMPSAXMXSA-N 424.465 3.165 10 1 HGCF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cc(O)c(O)c(O)c1 66259365 MALCTRDCDMKDJD-JUGMSXHOSA-N 424.405 3.249 10 1 HGCF [N-]=[N+]=NC[C@H]1O[C@@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 33815981 LKUJKHJDZZJMGB-HKUMRIAESA-N 405.625 3.344 10 1 HGCF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCc1ccc(N)cc1 36177044 SCOHSAGQPWTNRN-MLNNCEHLSA-N 408.498 3.063 10 1 HGCF COc1c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)c(OC)c2occc12 963015926 BBBJHOMDQUPTFM-SPSFWMDKSA-N 408.454 3.472 10 1 HGCF COc1ccc2c(c1)c(CC(=O)NC1CCCCC1)c(C)n2CCN1CCOCC1 1857558224 IMMKLRGCSMALOS-UHFFFAOYSA-N 413.562 3.282 10 1 HGCF CC(=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1)CC[C@H](O)C(C)(C)O 2356621762 PDWIAPUTGYIPGU-CVDCTZTESA-N 401.503 3.438 10 1 HGCF O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1 14642635 HRNWMQFQEGGZKA-LEWJYISDSA-N 410.378 3.116 10 1 HGCF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587766086 DZJNFGDPFPGLHH-GIPWTMENSA-N 418.310 3.408 10 1 HGCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CNO)c2)c(Cl)c1Cl 29346072 WZZCYECOSWOEST-UHFFFAOYSA-N 414.241 3.351 10 1 HGCF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(=O)c1ccccc1)C2 13447549 SCOHSAGQPWTNRN-LNRXMEIDSA-N 408.498 3.063 10 1 HGCF COC(=O)c1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27860825 BYLVHCCSLAOVJJ-UHFFFAOYSA-N 402.454 3.014 10 1 HGCF Oc1ccc2c(Cc3ccccc3)noc2c1CN1CCN(C2=CC=C[CH]N2)CC1 2356318355 IWUGBHBBZWEGMP-UHFFFAOYSA-N 401.490 3.404 10 1 HGCF CCNC(=O)Nc1nc2cc(-c3ccn(CC)c(=O)c3)c(=O)n(C(C)C)c2s1 103264836 QDHKAMBZQUBEGD-UHFFFAOYSA-N 401.492 3.029 10 1 HGCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2SC)nc1 209437258 DTPRQTAFAPKEJI-ZBFHGGJFSA-N 424.526 3.459 10 1 HGCF O=C1NC(=S)S/C1=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 1857550575 WVXJNDYRSWNRMD-ZDLGFXPLSA-N 408.508 3.394 10 1 HGCF CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O 5922776 ANEQQIJCYHLALG-UHFFFAOYSA-N 420.373 3.168 10 1 HGCF biogenic,in-vitro C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 95901739 LSNSUZUVRXFZLV-RZLXXJEVSA-N 410.514 3.015 10 1 HGCF COc1ccc([C@]2(CCC(=O)O)NCCc3cc4cccc(OC)c4nc32)c(O)c1 963064917 HOHFADKTLABUQV-QHCPKHFHSA-N 408.454 3.212 10 1 HGCF Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3C[C@H]3Cc4cc(O)c(O)cc4[N@@+]31CC2 254102341 MOEZDNUWCWAVCM-PUBVHKHVSA-O 420.441 3.054 10 1 HGCF CC(=O)Oc1ccc(O)c([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962974350 KRLUEKPFMJECON-KUHUBIRLSA-N 411.788 3.112 10 1 HGCF CN(C)c1ccc(/C=C/C2=C(C(=O)O)[C@@H](c3ccc(N(C)C)cc3)NC(=S)N2)cc1 103187832 CWXLKPRAPVYBOK-NPZXAABXSA-N 422.554 3.390 10 1 HGCF CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccn4C)C3=C2)cn1 149290635 HLUBCRKGXVBCMQ-UHFFFAOYSA-N 400.486 3.093 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587798272 ZNTNHPPRWQRTNQ-APBUJDDRSA-N 404.283 3.384 10 1 HGCF COc1ccc(NC(=O)CCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27558162 GUUCMRQYRGUUHJ-YCRPNKLZSA-N 402.491 3.317 10 1 HGCF COc1c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)c(OC)c2occc12 963015923 BBBJHOMDQUPTFM-DAOPMYJZSA-N 408.454 3.472 10 1 HGCF O=c1cc(CNCc2ccc(I)cc2)oc2ccc(O)c(O)c12 71340543 WPBOAKIFMPQNJZ-UHFFFAOYSA-N 423.206 3.099 10 1 HGCF CCOC(=O)/C=C/c1c(O)c(O)cc(NS(=O)(=O)c2cccs2)c1SC 209565855 ZFHROTCNYNJYRO-VOTSOKGWSA-N 415.514 3.258 10 1 HGCF O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCCC1)c1ccccn21 473112958 DVZCMBJSRRXMRW-UHFFFAOYSA-N 417.465 3.143 10 1 HGCF O=C(NCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 27179079 XKBUIMKMLLOEAL-UHFFFAOYSA-N 420.469 3.440 10 1 HGCF COc1cccc(CNC(=O)c2cn(CCCO)c3cc(-c4cn[nH]c4)ccc23)c1 73196570 SEGWEYROGYCRNC-UHFFFAOYSA-N 404.470 3.352 10 1 HGCF CN(C)CCNc1c2c(c(NCCN(C)C)c3occc13)C(=O)c1ccccc1C2=O 653808720 AKFCFWYZLYBDNQ-UHFFFAOYSA-N 420.513 3.155 10 1 HGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cnnc2)cc1 72122652 LXJYQCRYUMLKKE-UHFFFAOYSA-N 415.453 3.150 10 1 HGCF CN(C)c1ccc(/C=C/C2=C(C(=O)O)[C@H](c3ccc(N(C)C)cc3)NC(=S)N2)cc1 103187830 CWXLKPRAPVYBOK-MYHKYFONSA-N 422.554 3.390 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586949713 YHWQLMYYHADJPL-UHFFFAOYSA-N 417.672 3.118 10 1 HGCF Cc1cc2c(cc1O)[C@](C)(c1ccc(Br)c(F)c1O)N[C@H](C(=O)O)C2 963547955 CNPOROHCVZFHRG-UGSOOPFHSA-N 410.239 3.170 10 1 HGCF Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)N1CCCCC1 1857603637 AFECATKGZYIMGT-UHFFFAOYSA-N 403.954 3.490 10 1 HGCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2SC)nc1 209427340 OKHOFXSVHMIQAX-PBHICJAKSA-N 424.526 3.459 10 1 HGCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc4c(cc3F)OCCO4)C2)cc1 1772603083 WKNWSOQPSAGUBM-KSSFIOAISA-N 400.450 3.452 10 1 HGCF O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)c1cccc(F)c1)c1nsnc21 219713528 ANCSJVPFBJJKHG-UHFFFAOYSA-N 424.434 3.439 10 1 HGCF O=C1c2ccccc2C(=O)c2c1nnn2CCCCCCCCCCP(=O)(O)O 1857537190 SAMNHMHBQNIUDM-UHFFFAOYSA-N 419.418 3.352 10 1 HGCF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)Cc3ccccc3)c(O)c(O)c12 1857756960 WANPULFCDADORB-UHFFFAOYSA-N 413.407 3.005 10 1 HGCF CN(C)C(=O)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220094780 UZMSRKOMGSHLMX-UHFFFAOYSA-N 415.375 3.204 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 586949027 OPZYXNMONAQDCB-UHFFFAOYSA-N 400.229 3.209 10 1 HGCF CC(C)OC(=O)OCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 96906477 PJZHVEIPQFCUNC-UHFFFAOYSA-N 418.354 3.180 10 1 HGCF Nc1ccnc2c1C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O 26978829 XSXOEAKXDLVRHU-UHFFFAOYSA-N 412.327 3.002 10 1 HGCF Cn1cc([C@]2(c3ccccc3O)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cn1 962732126 XCXOJPNNWNZMIR-PXNSSMCTSA-N 401.388 3.063 10 1 HGCF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CSc1nccs1 13805747 FNZKSJLLEXLFRT-OVYGPGRDSA-N 417.593 3.159 10 1 HGCF O[C@@](CSC(=S)NCc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F 103264691 JEVYWOYFXKLDES-LJQANCHMSA-N 420.510 3.252 10 1 HGCF CC(=O)C[C@]1(c2cc(F)ccc2O)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962643258 PZUPUOXSQQOEIP-DNQXCXABSA-N 422.456 3.401 10 1 HGCF COc1ccc(OC)c([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962965488 LAXKWTVIBZXSQC-JEOXALJRSA-N 413.804 3.203 10 1 HGCF Oc1ccc(C[C@H]2c3cc(O)c(O)cc3C[C@@H]3c4cc(O)c(O)cc4CCN23)cc1O 85969676 FAGGKCPHMLDUDN-ZWKOTPCHSA-N 421.449 3.360 10 1 HGCF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 95566333 SGOGQHKOFUBKLH-QFIPXVFZSA-N 406.534 3.393 10 3 HGCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCc3ccccc3)OC[C@H]1C2=O 238783655 RMDRBXLEUUTIFV-GGOJBBCOSA-N 412.438 3.114 10 1 HGCF CC(=O)OCC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)CC2=O 2356726513 NMDAXWXNNIQNFH-HXUWFJFHSA-N 414.410 3.267 10 1 HGCF C[C@@H]1[C@H]2c3cc(N4CCOCC4)ccc3C[C@@H](c3ccc(N4CCOCC4)cc32)N1C 473244347 IMJBBDRLBWLKKB-LROUJFHJSA-N 419.569 3.423 10 1 HGCF COc1c([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)c(OC)c2occc12 963015924 BBBJHOMDQUPTFM-MYODQAERSA-N 408.454 3.472 10 1 HGCF O=C(NN1C(=O)CS[C@H]1c1ccccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 84729866 VXMOKIJGRWEYNQ-IBGZPJMESA-N 414.874 3.355 10 1 HGCF O=[N+]([O-])C(/N=N/c1ccc([N+](=O)[O-])cc1)=C1\NCCN1Cc1cnc(Cl)s1 103210735 QINWXZUAWOIEAN-JXNIZTFNSA-N 409.815 3.297 10 1 HGCF Cc1ccc(C)n1-c1cc(C(=O)NCCc2cccc(C(=O)O)c2)ccc1C(=O)O 219897544 GSOGCEMHHOUMPD-UHFFFAOYSA-N 406.438 3.463 10 1 HGCF CCc1ccc2nc([C@H](c3ccc(O)c(O)c3)n3cc(CCN(C)C)nn3)oc2c1 1857759833 NMFZYTRFGMSGPH-NRFANRHFSA-N 407.474 3.135 10 1 HGCF Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 29131032 AYMOWRNYHLSUHI-UHFFFAOYSA-N 408.435 3.343 10 1 HGCF in-vitro CCCCCC(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 29408144 PPOXTAAOTCHSJU-WIYYLYMNSA-N 404.415 3.383 10 1 HGCF CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)[C@H](C)O 95603314 IJWWOTCVYMBYJL-SWLSCSKDSA-N 402.474 3.435 10 1 HGCF COc1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(O)c1O 587785281 KFVXBUOGSOOHMW-DJWKRKHSSA-N 414.361 3.447 10 1 HGCF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@@]2(C)[C@H](N=NN)C(=O)O[C@H]2O1 2356817638 UNITWFMNAQJUIZ-BHUQQCALSA-N 401.580 3.103 10 1 HGCF Cc1ccc(C(=O)NCCCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27716571 OLJJYMQPHSAKHY-VGOFRKELSA-N 400.519 3.408 10 1 HGCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@@H]1c1cccc([N+](=O)[O-])c1 84671429 PGKSBYXEROKQQP-QGZVFWFLSA-N 407.382 3.413 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587766087 DZJNFGDPFPGLHH-PRWKNARSSA-N 418.310 3.408 10 1 HGCF CCCCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356471155 QACLUURODSWXLR-HXUWFJFHSA-N 416.426 3.020 10 1 HGCF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCCc1ccc(N)cc1)[C@H](OC(=O)c1ccccc1)C2 169372026 SCOHSAGQPWTNRN-KJJMTIBFSA-N 408.498 3.063 10 1 HGCF O=c1[nH]c2cc(I)ccc2n1Cc1cc(Cl)ccc1O 29389849 OMIBDBZRMXMNGW-UHFFFAOYSA-N 400.603 3.342 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 587742772 TYMDRPRJRZIACA-RNODOKPDSA-N 423.326 3.003 10 1 HGCF COCCN(CCOC)c1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116828932 JXKFKBYYJDDRRB-OAQYLSRUSA-N 410.474 3.360 10 1 HGCF COc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(O)c1O 169353881 YWGDYXVZYGVALG-PXNMLYILSA-N 400.843 3.044 10 1 HGCF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 144174366 LPYLWZQIJGQYEC-UHFFFAOYSA-N 411.937 3.232 10 1 HGCF CNC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341940 ZWGDOCYSFPSFFR-GGAORHGYSA-N 409.413 3.416 10 1 HGCF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccc(N)cc1 82196616 MBUNTRPKMUXCIP-DLIOIREYSA-N 407.514 3.038 10 1 HGCF COc1ccc2nc(C[C@H]3CN(Cc4ccccc4O)CC[C@@H]3CC(=O)O)[nH]c2c1 2356649199 CRPDPOPXDWPWKX-WBVHZDCISA-N 409.486 3.433 10 1 HGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnn2)cc1 72122939 OSYJWQPALKULNB-UHFFFAOYSA-N 415.453 3.150 10 1 HGCF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 15936223 FESMVHJICDVKJC-SFHVURJKSA-N 410.474 3.322 10 3 HGCF COc1cc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1O 58576028 OLGQAEJKONXUAZ-MRXNPFEDSA-N 400.431 3.124 10 1 HGCF CC(=O)C[C@]1(c2cc(F)ccc2O)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962643257 PZUPUOXSQQOEIP-BJKOFHAPSA-N 422.456 3.401 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587765030 IFOWPOWXWJFRIC-FKIZINRSSA-N 418.310 3.148 10 1 HGCF O=C(OCO)c1cccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)c1 103299486 OCKPWRDETNBRLF-UHFFFAOYSA-N 424.887 3.371 10 1 HGCF CN1C[C@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]21 169313021 BTLXNTWNCUMBTR-LSWJPFSZSA-N 404.510 3.185 10 1 HGCF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc(OC(F)F)cn2)n1 209439395 DDTRNWDSNZFBCL-ZBFHGGJFSA-N 414.412 3.330 10 1 HGCF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560829 AJBXCZTXKSOOQZ-DAPHQWDPSA-N 421.497 3.241 10 1 HGCF CC(C)CN(Cc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)Cc1ccccc1 224289811 UNFKKRWCVCSPTC-UHFFFAOYSA-N 415.603 3.426 10 1 HGCF CCOc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccccc3)N=C2C)cc1 102967875 SYHABPMUAFSJJO-TWMRLEJJSA-N 407.430 3.311 10 1 HGCF O=C1c2cccc(O)c2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1 299867853 YXEYARRUHDNAEP-UHFFFAOYSA-N 416.393 3.114 10 1 HGCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 962958604 QJVYZJDJXPKGOJ-OYLFLEFRSA-N 402.498 3.125 10 1 HGCF CN(C)CCn1nc2c3c(c(NCCN4CCCCC4)ccc31)C(=O)c1ccncc1-2 27634898 LBCJCBWCXIEIJR-UHFFFAOYSA-N 418.545 3.102 10 1 HGCF COc1cc([C@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=NN2C(C)=O)ccc1O 84704439 VHXIENIOZNFJDM-MRXNPFEDSA-N 408.410 3.219 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587820503 DNTYAHDGFYHCDR-YYSFKGJASA-N 410.239 3.056 10 1 HGCF O=C(C=Cc1ccc(O)cc1)OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 2356645260 KCZMHHVFUMWLAY-UHFFFAOYSA-N 416.385 3.335 10 1 HGCF Oc1ccc(Cc2c(Br)c(O)c(O)c(O)c2Br)cc1O 53297728 VXUXJSHBLNUBFC-UHFFFAOYSA-N 406.026 3.330 10 1 HGCF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587274590 QKKIOJPWOMPCBI-LLVKDONJSA-N 401.382 3.247 10 1 HGCF Cc1c(C(=O)N(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 40899767 IGXFFZGRKCCDOP-UHFFFAOYSA-N 417.918 3.455 10 1 HGCF O=C(O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ncccc2C3=O)c1 1857538428 LORVRQFBRLOJPY-UHFFFAOYSA-N 411.373 3.060 10 1 HGCF Cc1c(CC(=O)NC2CCCCC2)c2cc(F)ccc2n1CCN1CCOCC1 1857565479 ORRPSOROHWPHEL-UHFFFAOYSA-N 401.526 3.412 10 1 HGCF COc1ccc(CCNC(=O)c2cc(NCc3cc(O)ccc3O)ccc2O)cc1 13861841 KRPBQBYIGIZESO-UHFFFAOYSA-N 408.454 3.397 10 1 HGCF COc1cc2c(cc1OC)[C@@]13CC[C@H]4C(=CCO[C@@H]5CCN2[C@H]1[C@H]54)CN(C#N)CC3 2356415896 AGGOIZXUFZURQH-AZFBYVEFSA-N 407.514 3.072 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587823974 XZKRIXIQUWYCHZ-NIVTXAMTSA-N 410.239 3.056 10 1 HGCF COc1cccc2nc(C[C@@H]3CN(Cc4ccccc4O)CC[C@@H]3CC(=O)O)[nH]c12 2356429918 LFIVSHAJNOCNRL-NVXWUHKLSA-N 409.486 3.433 10 1 HGCF COc1c(O)ccc([C@@H]2c3ccc(O)cc3C[C@@H](c3ccc(O)c(O)c3)[C@H]2O)c1O 2356645322 LWHBAGHPBNRPSU-ORYQWCPZSA-N 410.422 3.056 10 1 HGCF CN1CCN(c2nccc3c2nc(-c2ccccc2O)n3Cc2ccccc2O)CC1 1857748119 CZVMCTFPWKSXQE-UHFFFAOYSA-N 415.497 3.310 10 1 HGCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1 14642638 HRNWMQFQEGGZKA-RTWAWAEBSA-N 410.378 3.116 10 1 HGCF biogenic Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 43078040 CUGWLHXAPKQSFY-UHFFFAOYSA-N 414.439 3.165 10 1 HGCF CN(C)c1ccc(CNC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)o2)cc1 205207841 ITEAKESPLFSURG-UHFFFAOYSA-N 419.485 3.113 10 3 HGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCC(=O)N3CCCC3)[nH]c21 103264542 FBQBHFVJXQRWDG-UHFFFAOYSA-N 405.479 3.443 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587765032 IFOWPOWXWJFRIC-ODXCJYRJSA-N 418.310 3.148 10 1 HGCF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@@H](OC(=O)[C@@H]2N=NN)O1 2356817637 UNITWFMNAQJUIZ-ALCWZJMGSA-N 401.580 3.103 10 1 HGCF O=C(OCCCCCCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 49803697 GVNLJMMUFRRTAY-UHFFFAOYSA-N 404.415 3.473 10 1 HGCF CN(C)CCCOc1ccc2c(c1)-c1c(c3ccccc3c(=O)n1CCN(C)C)C2=O 71316665 NFYMJEFHCPWHLJ-UHFFFAOYSA-N 419.525 3.105 10 1 HGCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12 14811108 WSVMVVOOYCCXOK-UHFFFAOYSA-N 408.362 3.284 10 1 HGCF biogenic O=C(O)c1cnc(Sc2nnc(Sc3ncc(C(=O)O)s3)s2)s1 40835537 GWAGHGPQSBRPRG-UHFFFAOYSA-N 404.501 3.150 10 1 HGCF CCOC(=O)Cc1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 299869852 VMAMODBWXOFAPV-UHFFFAOYSA-N 416.474 3.345 10 1 HGCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3F)OCCO4)C2)cc1 1772642250 CWQOWPJDUVAGFA-KBXCAEBGSA-N 400.450 3.452 10 1 HGCF CN(C)C(=O)c1ccc2c(c1)[C@@](CCC(=O)O)(c1cc(Cl)ccc1O)NCC2 962926397 BYSPMLJSCSSLJK-NRFANRHFSA-N 402.878 3.002 10 1 HGCF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586960431 WVAZDVWQUTVIKH-OAQYLSRUSA-N 424.482 3.406 10 1 HGCF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(O)c(O)c41)[C@@H](C2)C3=O 587451073 OHUAWINKZCJNRS-UPCLLVRISA-N 400.386 3.342 10 1 HGCF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc(O)c4O)[C@@H](C2)C3=O 587451080 OMTXXIIJCVXPTR-UPCLLVRISA-N 400.386 3.342 10 1 HGCF Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3C[C@H]3Cc4cc(O)c(O)cc4[N@+]31CC2 254102338 MOEZDNUWCWAVCM-KUBUTDKVSA-O 420.441 3.054 10 1 HGCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1ccc(F)cc1O 963148345 PVWXAYFRENRILH-ORAYPTAESA-N 408.451 3.498 10 1 HGCF COCCOc1ccc2c(c1)cc(C(=O)NCCN(C)C)c1nc3ccccc3nc12 13586916 LFOZEXXMGLUVCT-UHFFFAOYSA-N 418.497 3.253 10 1 HGCF O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 587358832 XNSPJFXPJHCDEV-NZQKXSOJSA-N 424.380 3.368 10 1 HGCF CCN(CC)CCCn1c2c(c3ccc(N)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 653784858 JWVGWSIGGALGOB-UHFFFAOYSA-N 419.481 3.256 10 1 HGCF O=S(=O)(O)c1ccc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 101058544 KEYWXKLGZZGHMT-ZCXUNETKSA-N 408.413 3.454 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(S(C)(=O)=O)ccc2O)N1 587851942 YMLOBNUZWRQTMX-XYZCENFISA-N 414.296 3.321 10 1 HGCF CC(=O)c1nnc2c(/N=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nn2c1C 84739682 JWMMNNYIATWKKG-XTQSDGFTSA-N 404.434 3.157 10 1 HGCF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)cc(O)c(O)c41)[C@@H](C2)C3=O 587450614 NGCZWDKDHSCRGL-LFPIHBKWSA-N 416.385 3.048 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587798274 ZNTNHPPRWQRTNQ-GIGQVBGESA-N 404.283 3.384 10 1 HGCF CCC1(CC)C(=O)N(C(=O)NCc2ccc(N)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 27202760 NFJUNWRTNMPXJJ-FQEVSTJZSA-N 411.458 3.230 10 1 HGCF CCN(CC)CCOc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1 473111396 ZDXVJGFCTRVBAQ-UHFFFAOYSA-N 415.442 3.306 10 1 HGCF COc1cc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1O 64353913 OLGQAEJKONXUAZ-INIZCTEOSA-N 400.431 3.124 10 1 HGCF COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(c2ccc(OCCCO)cc2)=N1 36375717 JWMHXJHWCMLCLC-JOCHJYFZSA-N 424.457 3.189 10 1 HGCF C[S@@](=O)Cc1c(Br)c(O)c(O)c(Br)c1Br 2356549293 XPOSVXAFYVQHCC-OAHLLOKOSA-N 422.920 3.264 10 1 HGCF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(N3CCOCC3)cc2F)N1)C(F)(F)F 962715977 TTWVUZUVYQUDAP-RTBURBONSA-N 408.395 3.397 10 1 HGCF CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(N(C)C)cc1 4036243 ULQBWHVFRVJIHK-FQEVSTJZSA-N 414.531 3.212 10 3 HGCF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCC[C@H]3CCO)sc21 299823890 BTTUFDVVBPPSGD-NSHDSACASA-N 424.478 3.224 10 1 HGCF COc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c(Cl)cc1C(=O)O 40424667 YHKDBEBMOYBOFB-UHFFFAOYSA-N 406.803 3.061 10 1 HGCF Nc1ccc2c3c(n(CCCN4CCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 653784900 ORHULRXYPMDWCV-UHFFFAOYSA-N 417.465 3.010 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587837270 FDNIFNRJUMCCIA-NTCNTBNZSA-N 408.223 3.086 10 1 HGCF CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1COC(=O)[C@H](C)c1ccc(CC(C)C)cc1 40875800 SJAGHGUEEOPKBG-MHUNPEQMSA-N 421.494 3.326 10 1 HGCF O=C(O)C[C@@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 71341345 ZWCIXZKNLVQESJ-FVIAUOKHSA-N 424.361 3.208 10 1 HGCF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(N)cc1 791472 OGEMRRQNEHEZDB-DLIOIREYSA-N 413.562 3.418 10 1 HGCF C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95660947 KEYZBOWAMAUVGG-HNAYVOBHSA-N 405.539 3.018 10 1 HGCF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(N)cc1 104581544 OGEMRRQNEHEZDB-VVRDVVMGSA-N 413.562 3.418 10 1 HGCF CN1O[C@@](C)(CC(=O)NCc2ccc(N(C)C)cc2)N=C1c1cccc(Cl)c1 205231814 QRHBHXWUNTVPBT-NRFANRHFSA-N 400.910 3.452 10 3 HGCF CN1CCN(Cc2c(O)ccc3c2nc(CSc2ccc(F)cc2)n3C)CC1 64559268 ZTUGAMOUSAEAAJ-UHFFFAOYSA-N 400.523 3.458 10 1 HGCF Cn1c(=O)[nH]c(=O)c2c1nc(/N=N/c1c(O)[nH]c3ccccc13)n2Cc1ccccc1 103960262 FJJUOOKFWIDHQB-OCEACIFDSA-N 415.413 3.074 10 1 HGCF COc1ccc(N2CCC3(CC2)N[C@H](C(=O)O)Cc2c3cnc3ccccc23)cc1 963224246 INALMWAHESNXJQ-QFIPXVFZSA-N 403.482 3.338 10 1 HGCF Cc1ccc(S(=O)(=O)c2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])cc1 96174909 ZGPNITULBHVMLI-ZROIWOOFSA-N 420.493 3.225 10 1 HGCF COc1ccc(-n2nc(CC(=O)N(C)C)c3c4ccc(Cl)cc4n(C)c3c2=O)cc1 34011988 KHPQDGSLGKQMHL-UHFFFAOYSA-N 424.888 3.170 10 1 HGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)o1 72124347 ZEOLDOORLOJCEU-UHFFFAOYSA-N 404.426 3.348 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587818452 DJTFMJZZTBWMLE-VRDVMMCMSA-N 410.283 3.091 10 1 HGCF Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccccc3)c(O)c12 263606053 QLIPBTNLIPOBMV-UHFFFAOYSA-N 423.428 3.036 10 1 HGCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)c(CO)c(O)c1O 2356355174 RQOPWZDSWFQBKU-DDYJPHFUSA-N 416.470 3.079 10 1 HGCF CCOC(=O)COc1ccc([S@@](=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 28009058 QEMDWMJWZFKAIB-AREMUKBSSA-N 418.298 3.266 10 1 HGCF CC(C)n1cnc2c(NCc3ccc(N)cc3)nc(N3CCCC[C@@H]3CCO)nc21 26398239 URSAOEDPLYRUKS-GOSISDBHSA-N 409.538 3.343 10 1 HGCF C[C@@H](CCCCNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccc(O)c(O)c1 27726656 SMQPASACOUXUJE-HRAATJIYSA-N 402.491 3.206 10 1 HGCF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccc(N)cc1)[C@H](OC(=O)c1ccccc1)C2 34389956 SCOHSAGQPWTNRN-CBPXPLCBSA-N 408.498 3.063 10 1 HGCF CC(C)c1nn(C)c2c1[C@@]1(C=C(c3cccc(O)c3)Oc3cc(O)c(O)cc31)NCC2 962919022 OOMPTFABHZSAFF-DEOSSOPVSA-N 419.481 3.483 10 1 HGCF O=C1c2cc3c(cc2-c2c1c1ccc(F)cc1c(=O)n2CCCn1ccnc1)OCO3 653689416 KACDMLUQBLRDSS-UHFFFAOYSA-N 417.396 3.368 10 1 HGCF COc1ccc(/C=C/C(=O)NCC(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 253986971 SOOWOTNTGUWAMZ-AJZVJQBLSA-N 423.385 3.230 10 1 HGCF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)CCc1ccc(O)c(O)c1 653827723 VYMXLUPACKJMTC-FQEVSTJZSA-N 410.422 3.462 10 1 HGCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl 299865486 UAHRZKFTYFZIME-MRXNPFEDSA-N 422.938 3.083 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCO)CCO)cc2)N1 587742774 TYMDRPRJRZIACA-XCLFUZPHSA-N 423.326 3.003 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587764238 CKAOOXVACYAXKI-ODXCJYRJSA-N 418.310 3.148 10 1 HGCF CN(C)CCn1nc2c3c(c(NCC[C@@H]4CCCN4C)ccc31)C(=O)c1ccncc1-2 95591409 WLEYYNFNAQOJIU-INIZCTEOSA-N 418.545 3.101 10 1 HGCF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 587784734 CNOSMXUPUWIDFK-RMKNXTFCSA-N 417.487 3.184 10 1 HGCF CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)nc2)cc1 40422256 ZNNBSEAJFMTHLC-UHFFFAOYSA-N 413.430 3.211 10 1 HGCF CN(C)c1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1 72111429 ZUFVDWUBTJKNDI-LFYBBSHMSA-N 409.305 3.033 10 1 HGCF O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)c1ccccc1)c1nsnc21 4565371 NRKGVSAJGYAEGQ-UHFFFAOYSA-N 406.444 3.300 10 1 HGCF CC(=CCc1c(O)cc2c(c1O)CNC2=O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356327516 CBPVPTUUJSJVNN-FQEVSTJZSA-N 403.519 3.469 10 1 HGCF O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1 14642641 HRNWMQFQEGGZKA-SFTDATJTSA-N 410.378 3.116 10 1 HGCF biogenic Cc1cccc2c1cc([C@@H]1CC(c3cc(Br)ccc3O)=NN1)c1nnnn12 1857598123 GKIKURDZUVPFKD-INIZCTEOSA-N 423.274 3.493 10 1 HGCF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)CCc1cccc(O)c1O 653827683 LELTYHJGHNHMNO-IBGZPJMESA-N 410.422 3.462 10 1 HGCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 587405447 WWMDXYNEWVUXMN-QHCPKHFHSA-N 403.390 3.147 10 1 HGCF CCOc1ccc(N2CCC(c3[nH]nc4c3[C@](O)(C(F)(F)F)CC(=O)N4)CC2)cc1 1857561967 OIXLRUCXZASFAD-IBGZPJMESA-N 424.423 3.285 10 1 HGCF Oc1ccc(C2=Nn3c(nnc3-c3ccccc3Br)SC2)cc1O 4598309 NHOABRMGVPDLQL-UHFFFAOYSA-N 403.261 3.477 10 1 HGCF O=[N+]([O-])c1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 103266481 QILROJPZNWGXJZ-UHFFFAOYSA-N 406.445 3.170 10 1 HGCF Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccc(N)cc2)C3=O)cc1 53313804 BWSAUNCZKDIAOO-UHFFFAOYSA-N 401.422 3.190 10 1 HGCF O=C(O)CN1C(=O)/C(=C/C2=Cc3cc(Br)ccc3OC2)SC1=S 95595235 NKKFELRJMZUKQW-QCDXTXTGSA-N 412.286 3.054 10 1 HGCF CCOC(=O)Cc1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 299870892 XBPVHANUCSNHKT-UHFFFAOYSA-N 416.474 3.345 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587775490 SUEYGKUIEWDVOX-YBTHPKLGSA-N 418.310 3.408 10 1 HGCF O=Cc1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(O)c(O)c1O 962961261 RMIDHPOXBQTPQL-INIZCTEOSA-N 423.387 3.376 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607198 LCPMQYAMWBMGSM-KSSFIOAISA-N 404.315 3.227 10 1 HGCF CC(=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1)CC[C@@H](O)C(C)(C)O 2356621764 PDWIAPUTGYIPGU-XXBNENTESA-N 401.503 3.438 10 1 HGCF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ncc(-c4ccccc4)s3)[C@H](C)[C@H]12 3825026 DNWPOXMGQZZLQL-DMTCVQMQSA-N 402.497 3.056 10 1 HGCF Cc1cc(Br)c2c(/C=C3\C(=O)NN=C3c3cnns3)cn(C)c2c1 28955063 IMFTXSUWRURJLF-YHYXMXQVSA-N 402.277 3.018 10 1 HGCF Cc1nn2c3c(nnc2c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)CCC3 84739684 VSAPNZPXHHJOEF-GHVJWSGMSA-N 416.445 3.165 10 1 HGCF COC(=O)c1ccc2c3c(n(CCCn4ccnc4)c(=O)c2c1)-c1ccccc1C3=O 95582787 CZWJZYWUPMHZKI-UHFFFAOYSA-N 413.433 3.286 10 1 HGCF CC(C)N1CNc2c(NCc3ccc(N)cc3)nc(N3CCCC[C@@H]3CCO)nc21 70719291 KLKAHYLWRXRGPT-GOSISDBHSA-N 411.554 3.010 10 1 HGCF CN1C(=O)[C@H](NC(=O)CCc2ccc(N)cc2)N=C(c2ccccc2)c2ccccc21 13606609 FXIVSGCABMSAON-XMMPIXPASA-N 412.493 3.158 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(S(C)(=O)=O)ccc2O)N1 587851941 YMLOBNUZWRQTMX-XLFHBGCDSA-N 414.296 3.321 10 1 HGCF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)c(O)cc2o1 1857765394 GYJZBBWGLRANDB-UHFFFAOYSA-N 422.481 3.236 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587837267 FDNIFNRJUMCCIA-ASCAZGACSA-N 408.223 3.086 10 1 HGCF COc1ccc(N2CCN(CCCNC(=O)c3cc4sccc4n3C)CC2)cc1 4056375 IOLHLRYDZRFSJM-UHFFFAOYSA-N 412.559 3.191 10 3 HGCF COc1cc2c(cc1OC)[C@@]1(C(=O)N(CCN=[N+]=[N-])c3ccccc31)N(C)[C@@H](C)C2 962640877 SBGXDBPPHCBHTC-FPTDNZKUSA-N 407.474 3.481 10 1 HGCF O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 40764201 BPUDLVKHRZIHKS-UHFFFAOYSA-N 420.491 3.257 10 1 HGCF O=C(O)C[C@@H]1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 2356573100 ZWCIXZKNLVQESJ-SFHVURJKSA-N 424.361 3.208 10 1 HGCF COc1ccc(N2CCNCC2)cc1Nc1ncc(C)c(-c2cnn3ccccc23)n1 118700909 BTXUFWFKKFIGBG-UHFFFAOYSA-N 415.501 3.262 10 1 HGCF O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCc1ccccc1)c1ccccn21 473119873 MZYNLABILQJXGE-UHFFFAOYSA-N 409.445 3.472 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587818453 DJTFMJZZTBWMLE-WBIGVXLRSA-N 410.283 3.091 10 1 HGCF COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(/N=N/c2cc(C)c(O)cc2N)cc1 1857630344 VPSDDRKIOMPGQX-SIUCFOQUSA-N 418.475 3.024 10 1 HGCF COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccccc3)C2)c(O)c1 40873621 KNGVMBVEZOXJQX-NRFANRHFSA-N 423.494 3.404 10 1 HGCF Cc1ccc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc1 29408554 YZNOKLKZOGSFNG-IFMALSPDSA-N 424.405 3.425 10 1 HGCF Cc1ccc2c(c1)C(=O)[C@@]1(NCCc3c(C)ccnc31)[C@@H](c1ccc(O)c(O)c1)O2 963074780 XZTUGJPZJRZXQC-DNQXCXABSA-N 402.450 3.467 10 1 HGCF COc1ccc(OC)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962965493 LAXKWTVIBZXSQC-WYRIXSBYSA-N 413.804 3.203 10 1 HGCF CCO[P@](=O)(O)[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1O 73197463 LASGOKGQCHWCTQ-HKUYNNGSSA-N 418.386 3.380 10 1 HGCF O=C(O)c1cccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 1857646544 CILRUNQESCPFLH-DFSFMLJYSA-N 413.476 3.282 10 1 HGCF COc1cccc2nc(C[C@@H]3CN(Cc4ccccc4O)CC[C@H]3CC(=O)O)[nH]c12 2356429915 LFIVSHAJNOCNRL-DOTOQJQBSA-N 409.486 3.433 10 1 HGCF CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)[C@@H](C)O 95603313 IJWWOTCVYMBYJL-IUODEOHRSA-N 402.474 3.435 10 1 HGCF Cc1c(CC(=O)N2CCCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1 1857594053 HGQAQEVOCWXUIG-UHFFFAOYSA-N 403.954 3.490 10 1 HGCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)S2)cc1 299827329 GFCXIAXFJQKFIH-ZHZULCJRSA-N 422.506 3.294 10 1 HGCF Oc1ccc(Br)cc1C1=NN[C@H](c2ccc(N3CCOCC3)cc2)C1 49034684 QYNKXCOXGFVNGC-KRWDZBQOSA-N 402.292 3.430 10 1 HGCF O=[N+]([O-])c1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 103265811 OFUDWJMBGHGKKF-UHFFFAOYSA-N 406.445 3.170 10 1 HGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc4ncnn4c3C(F)F)[nH]c21 587128772 QNYRWHWYISYQJU-UHFFFAOYSA-N 416.347 3.381 10 1 HGCF COC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)sc2c1CCCCCC2 4398278 GWXPNBDKQUNSRF-NOXHYTERSA-N 407.488 3.010 10 1 HGCF O=Cc1ccccc1OCc1cn(Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1 1772626254 CUROEKQQLQMJCC-UHFFFAOYSA-N 423.428 3.493 10 1 HGCF COc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)cc1Br 963015928 BCVNUQSUXVRDML-APBUJDDRSA-N 403.276 3.306 10 1 HGCF CN1C[C@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]21 29487254 BTLXNTWNCUMBTR-NWSQWKLXSA-N 404.510 3.185 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 587765031 IFOWPOWXWJFRIC-MPBGBICISA-N 418.310 3.148 10 1 HGCF COc1cccc2nc(C[C@H]3CN(Cc4ccccc4O)CC[C@@H]3CC(=O)O)[nH]c12 2356429921 LFIVSHAJNOCNRL-WBVHZDCISA-N 409.486 3.433 10 1 HGCF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(N)cc1 104581537 OGEMRRQNEHEZDB-DKRUORJFSA-N 413.562 3.418 10 1 HGCF O=C(O)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)SC1=S 62233353 VNCOUSLJIZUUHN-WZUFQYTHSA-N 413.402 3.381 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587818996 GFYODNRWPGLSLH-AJJBVLIZSA-N 410.283 3.091 10 1 HGCF COc1ccc2c(c1)C[C@@H]1Cn3c(c(CCNC(C)=O)c4cc(OC)ccc43)CN21 35241916 NNOZWXPTXGWATL-QGZVFWFLSA-N 405.498 3.282 10 1 HGCF Cn1cc([C@]2(c3ccccc3O)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cn1 962732127 XCXOJPNNWNZMIR-XLIONFOSSA-N 401.388 3.063 10 1 HGCF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587269406 BWJDWVGEAPSVKU-KRWDZBQOSA-N 412.405 3.489 10 1 HGCF O=C(/C=C/c1ccc(O)c(O)c1)OCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 6525039 FHYHSSSYAYUMJH-NXZHAISVSA-N 414.410 3.102 10 1 HGCF COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2S(N)(=O)=O)cc1 299865511 UCUXFIMSMXHBSO-OAHLLOKOSA-N 409.895 3.026 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587845433 ANFVTVVOVLWFCF-RMLUDKJBSA-N 406.192 3.452 10 1 HGCF C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 95901745 LSNSUZUVRXFZLV-ZXXWCBILSA-N 410.514 3.015 10 1 HGCF C[n+]1c(C=C2C=CN(CC(=O)NCCCN)c3ccccc32)sc2ccccc21 1857566389 KDHUVQNZCDSFCZ-UHFFFAOYSA-O 405.547 3.065 10 1 HGCF O=C(CCN1CCCC[C@@H]1CCO)Nc1cccc2c1C(=O)c1ccccc1C2=O 6117146 GLELNWBKLYTRNR-MRXNPFEDSA-N 406.482 3.028 10 1 HGCF CCCCCCOC(=O)[C@]12O[C@@]1(CC(CO)=C(C)C)C(=O)c1ccccc1C2=O 85592720 KDCJXNBVABJZSZ-GOTSBHOMSA-N 400.471 3.416 10 1 HGCF biogenic,in-vitro C[C@@H](Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1)NC(=O)C(F)F 149647098 WJVWQCVTBNGCJH-AWEZNQCLSA-N 402.441 3.374 10 1 HGCF O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)c1ccc(F)cc1)c1nsnc21 219729867 DFHDDDMYGZGRIL-UHFFFAOYSA-N 424.434 3.439 10 1 HGCF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(N3CCOCC3)cc2F)N1)C(F)(F)F 962715967 TTWVUZUVYQUDAP-OALUTQOASA-N 408.395 3.397 10 1 HGCF COc1ccc(N2CCC3(CC2)N[C@@H](C(=O)O)Cc2c3cnc3ccccc23)cc1 963224243 INALMWAHESNXJQ-JOCHJYFZSA-N 403.482 3.338 10 1 HGCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc4c(cc3F)OCCO4)C2)cc1 1772603082 WKNWSOQPSAGUBM-KBXCAEBGSA-N 400.450 3.452 10 1 HGCF COc1cccc2c1ccc1nc3cccc(C(=O)NCCN4CCOCC4)c3nc12 27769932 WFRIJWQPXWIPTH-UHFFFAOYSA-N 416.481 3.007 10 1 HGCF CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587818450 DJTFMJZZTBWMLE-AJJBVLIZSA-N 410.283 3.091 10 1 HGCF C[C@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 1857539987 WNUOARVONLZPJK-VHSSKADRSA-N 406.452 3.347 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587845438 ANFVTVVOVLWFCF-XLKFXECMSA-N 406.192 3.452 10 1 HGCF COc1c(-c2ccc(O)c(O)c2)oc2cc(OCCN3CCCC3)cc(O)c2c1=O 473088605 ITIDOKQZONVADZ-UHFFFAOYSA-N 413.426 3.060 10 1 HGCF Cc1ccc2c(c1)cc([C@H]1CC(c3cc(Br)ccc3O)=NN1)c1nnnn12 1857579390 NYOYEUMCCMJAMQ-MRXNPFEDSA-N 423.274 3.493 10 1 HGCF CN(C)c1ccc(/C=C/c2cnc(OCCO)c([125I])c2)cc1 100067271 WPWFHGOKCHAUPZ-PUHIQKCOSA-N 408.256 3.294 10 1 HGCF CCOC(=O)c1c[nH]nc1N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 101714108 ZYXWOXKPCHXIGH-LGMDPLHJSA-N 401.426 3.333 10 1 HGCF COC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccc(N(C)C)cc1 7992819 FSCMLNCSMCKHEJ-XUZZJYLKSA-N 407.514 3.377 10 1 HGCF Cc1ccccc1C(=O)NCCCCC[C@H](C)NC[C@H](O)c1ccc(O)c(O)c1 27712486 GKBCYWLQVKTJIJ-JTSKRJEESA-N 400.519 3.408 10 1 HGCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)N[C@H](CO)CC(C)C 2356874141 YTDHQSLLZYXPLG-HBFSDRIKSA-N 406.567 3.162 10 1 HGCF O=C(CCc1ccc(C(F)(F)F)nc1)N1CCc2c(F)c(O)c(O)c(F)c2C1 58581710 PGZHOCYNKDRCNQ-UHFFFAOYSA-N 402.319 3.307 10 1 HGCF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nncs3)c2)cc1 96932732 MDULCYWHICICLM-UHFFFAOYSA-N 410.458 3.104 10 1 HGCF COc1cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)cc1Br 963015936 BCVNUQSUXVRDML-OVWNDWIMSA-N 403.276 3.306 10 1 HGCF COc1c(O)ccc([C@@H]2c3ccc(O)cc3C[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c1O 2356645320 LWHBAGHPBNRPSU-CZAAIQMYSA-N 410.422 3.056 10 1 HGCF CCN1C(=O)C(=Cc2ccc(-c3ccsc3C(=O)OC)o2)C(=O)N(CC)C1=S 13487533 JSDDUIKEYXQAIJ-UHFFFAOYSA-N 418.496 3.174 10 1 HGCF Nc1ccc(CCNc2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc1 72123542 DNBUELKLGZXIMW-UHFFFAOYSA-N 414.412 3.132 10 1 HGCF Cc1ccccc1C(=O)NCCCCC[C@@H](C)NC[C@H](O)c1ccc(O)c(O)c1 27712487 GKBCYWLQVKTJIJ-VGSWGCGISA-N 400.519 3.408 10 1 HGCF CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1 40421218 KEQKLLYBHXLGAB-UHFFFAOYSA-N 413.430 3.211 10 1 HGCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)n1 221120499 BUCRVAXNIHUGQK-FXAWDEMLSA-N 424.549 3.383 10 1 HGCF O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 6885952 XRVQGWOFWSOEHJ-ATVHPVEESA-N 408.845 3.120 10 1 HGCF COc1ccc(NC(=O)CCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27558164 GUUCMRQYRGUUHJ-VFNWGFHPSA-N 402.491 3.317 10 1 HGCF O=[N+]([O-])C(/N=N/c1ccccc1[N+](=O)[O-])=C1\NCCN1Cc1ccc(Cl)nc1 103216849 CXXZWRJMVABSNG-YZORZNRUSA-N 403.786 3.236 10 1 HGCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1ccc(F)cc1O 963148342 PVWXAYFRENRILH-DJJJIMSYSA-N 408.451 3.498 10 1 HGCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCO[N+](=O)[O-])c4ccccc34)[C@H]21 653819652 LECQJUWCGABYGO-NRFANRHFSA-N 406.442 3.387 10 1 HGCF O=C1c2ccccc2C(=O)c2c1nc(/C=C/c1ccccc1)n2CCN1CCOCC1 1857751649 MYDMPDWFFJXRSD-ZHACJKMWSA-N 413.477 3.161 10 1 HGCF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(N(C)C)c(Br)c1)NCC2 962927444 RBQPPSQQKVOFAV-IBGZPJMESA-N 402.336 3.452 10 1 HGCF O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)s2)SC1=S 29046147 AVWHASVZRICWLG-MLPAPPSSSA-N 421.477 3.105 10 1 HGCF N=C(N)N1CCN(c2ccc(/C=C/c3cc(F)cc(Cn4ccnc4)c3)cc2)CC1 1857636862 RNDKUAQECNIQAS-OWOJBTEDSA-N 404.493 3.256 10 1 HGCF Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 1911577848 JEZNIHXKGRBFON-UHFFFAOYSA-N 414.439 3.165 10 1 HGCF COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c3c2CCCO3)cc(O)c1O 85625919 SDDOKAHBIBWZJH-QGZVFWFLSA-N 416.470 3.023 10 1 HGCF biogenic,in-vitro CCCCC[C@H]1C(=O)Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3 155684640 BOMDHCKLCGIRCH-WYAVIUHXSA-N 400.427 3.423 10 1 HGCF O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCCC1)c1ccc(Br)cn21 72116799 FTBYVZOKYJDFGV-UHFFFAOYSA-N 424.254 3.108 10 1 HGCF CC(=O)Nc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220075348 VFVIYLKHJYMFDX-UHFFFAOYSA-N 401.348 3.461 10 1 HGCF CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1cccnc1 586928416 AIEDTEYNVDQBIM-UHFFFAOYSA-N 409.471 3.153 10 1 HGCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@@H]1CC(=O)N[C@@H](CO)CC(C)C 2356874142 YTDHQSLLZYXPLG-QWFCFKBJSA-N 406.567 3.162 10 1 HGCF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)o1 169689012 SVORYLYQJBZKTA-VQTJNVASSA-N 406.438 3.399 10 1 HGCF C[C@H](CCCCNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccc(O)c(O)c1 27726662 SMQPASACOUXUJE-IIBYNOLFSA-N 402.491 3.206 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586949736 YWQDRQKTIHUPEA-UHFFFAOYSA-N 422.335 3.356 10 1 HGCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)C1CCCCC1 33988757 ZWQACWZBCXXZLQ-TZIWHRDSSA-N 416.426 3.383 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587837268 FDNIFNRJUMCCIA-CVJBHZAOSA-N 408.223 3.086 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 586948940 VPMSPNUUBMSIIM-UHFFFAOYSA-N 409.471 3.138 10 1 HGCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)cc4)C[C@@H]3O2)c(CO)c(O)c1O 2356355185 RQOPWZDSWFQBKU-NCUIPMJOSA-N 416.470 3.079 10 1 HGCF COc1ccc(/C=C2\C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)cc1OC 5842925 RPKJQAHOFWQAHG-WQRHYEAKSA-N 407.426 3.104 10 1 HGCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc4c(cc3F)OCCCO4)C2)cc1 142180999 MRCMUTDGOVHJHS-AWEZNQCLSA-N 400.450 3.452 10 1 HGCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc([N+](=O)[O-])ccc12 28711300 NUVRPJLFNYTTDI-UHFFFAOYSA-N 407.426 3.081 10 1 HGCF CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cccc(OCCN(C)C)c1-2 71316013 QVWMQZIRXBNJRP-UHFFFAOYSA-N 419.525 3.105 10 1 HGCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cc(-c2ccc(Br)cc2)[nH]n1 169325964 KBMCQMGJQGUZHR-FMQUCBEESA-N 406.269 3.145 10 1 HGCF O=C(Nc1ccnnc1)c1cc(N2C[C@H]3COC[C@H]3C2)ccc1OCc1ccccc1 1857581104 QFWJTAWHWVJZRW-KDURUIRLSA-N 416.481 3.391 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(S(C)(=O)=O)ccc2O)N1 587849060 JHFHSBDVQGYLSH-XLFHBGCDSA-N 414.296 3.321 10 1 HGCF CN(C)Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 230568035 BLUUZKBHLUJLOS-UHFFFAOYSA-N 407.967 3.349 10 1 HGCF Cc1nc(/N=N/c2ccc(C(=O)O)c(Cl)c2)c(OP(=O)(O)O)c(C=O)c1O 27095260 ZCONOUPPLDOKSJ-ISLYRVAYSA-N 415.682 3.147 10 1 HGCF CCCCc1ccc(Nc2nc3c(ncn3[C@@H]3C[C@H](O)[C@H](CN=[N+]=[N-])O3)c(=O)[nH]2)cc1 5538501 LFJHCRIDEWWIKI-JYJNAYRXSA-N 424.465 3.165 10 1 HGCF C[C@@H](CCCCNC(=O)OCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 27726668 SMQPASACOUXUJE-KKSFZXQISA-N 402.491 3.206 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607194 LCPMQYAMWBMGSM-KBXCAEBGSA-N 404.315 3.227 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587792662 LWSGLABBTBRETQ-APBUJDDRSA-N 404.283 3.384 10 1 HGCF CN1CCc2cn(C)nc2[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 963954459 KVAVOATXKFUJJQ-RUZDIDTESA-N 401.558 3.320 10 1 HGCF C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 95901738 LSNSUZUVRXFZLV-PSKGUGQPSA-N 410.514 3.015 10 1 HGCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@H]3O2)c(CO)c(O)c1O 2356355182 RQOPWZDSWFQBKU-KLMGCUKVSA-N 416.470 3.079 10 1 HGCF CC(=O)OC[C@@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C 14774192 BGZVSJZLXITKCI-NTWXWENJSA-N 404.459 3.319 10 1 HGCF CCOC(=O)N1CCN(Cc2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)CC1 1772589428 NKHBEABOGLPJRI-UHFFFAOYSA-N 424.453 3.145 10 1 HGCF CC(C)n1cnc2c(NCc3ccc(N)cc3)nc(N3CCCC[C@H]3CCO)nc21 26398243 URSAOEDPLYRUKS-SFHVURJKSA-N 409.538 3.343 10 1 HGCF C[C@H](NC(=O)CO)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772624817 TYRRWSQETVUWML-GAJHUEQPSA-N 410.514 3.303 10 1 HGCF COC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)o2)c1 1857758817 RSQWSKQYBCADGN-XNTDXEJSSA-N 417.464 3.409 10 1 HGCF C[S@](=O)Cc1c(Br)c(O)c(O)c(Br)c1Br 238783801 XPOSVXAFYVQHCC-HNNXBMFYSA-N 422.920 3.264 10 1 HGCF O=C(Cc1ccccc1)NCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587228160 HHONTRKNXDXTTR-UHFFFAOYSA-N 409.445 3.240 10 1 HGCF COc1cc2c3c(c1)O[C@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O 587453039 WSEMPNGOYDUNRZ-QMHKHESXSA-N 406.390 3.209 10 1 HGCF C[C@H](NC(=O)c1cnn(C)c1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149956174 YHMSKQLGAHOJBA-INIZCTEOSA-N 418.497 3.286 10 1 HGCF Oc1ccccc1CNC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356286984 BMLBXJJRQLBVNW-RRPUWOKSSA-N 412.461 3.427 10 1 HGCF O=C(CCN1CCN(c2ccccc2Cl)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 13585747 LFZWFDNMRQVKEF-UHFFFAOYSA-N 405.838 3.054 10 1 HGCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 142092699 BXROAGBBXCWUPN-QFBILLFUSA-N 411.506 3.468 10 1 HGCF COC(=O)c1ccc(O)c([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1 962719134 SFVPFEMXMCXKOW-HOCLYGCPSA-N 413.323 3.025 10 1 HGCF O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 587358841 XNSPJFXPJHCDEV-REWPJTCUSA-N 424.380 3.368 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(S(C)(=O)=O)ccc2O)N1 587851939 YMLOBNUZWRQTMX-HUTHGQBESA-N 414.296 3.321 10 1 HGCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(O)cc(Cn4ccnc4)c3)cc2)CC1 1857766124 VILMRRHNJITEKR-NSCUHMNNSA-N 402.498 3.476 10 1 HGCF Cc1ccccc1C(=O)NCCCCC[C@@H](C)NC[C@@H](O)c1ccc(O)c(O)c1 27712481 GKBCYWLQVKTJIJ-VGOFRKELSA-N 400.519 3.408 10 1 HGCF COc1c2c(c3cc4c(cc3c1OC)OCO4)N(C)[C@@H](O)c1c-2ccc2c1OCO2 238751393 BAADEEPBPGUGSI-QFIPXVFZSA-N 409.394 3.422 10 1 HGCF COc1c(O)ccc([C@@H]2c3ccc(O)cc3C[C@@H](c3ccc(O)c(O)c3)[C@@H]2O)c1O 2356645321 LWHBAGHPBNRPSU-NDXORKPFSA-N 410.422 3.056 10 1 HGCF COc1c(O)ccc([C@H]2c3ccc(O)cc3C[C@H](c3ccc(O)c(O)c3)[C@H]2O)c1O 238776264 LWHBAGHPBNRPSU-MAODMQOUSA-N 410.422 3.056 10 1 HGCF COc1ccc(OC)c([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962965491 LAXKWTVIBZXSQC-WLRWDXFRSA-N 413.804 3.203 10 1 HGCF O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F 45298537 YQANZQCQGNYBAC-MOSHPQCFSA-N 401.482 3.495 10 1 HGCF CNC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341943 ZWGDOCYSFPSFFR-JTHBVZDNSA-N 409.413 3.416 10 1 HGCF CC(=O)C(=[N+]=[N-])C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 28016200 DVMVEWHUJOKRDX-PGRDOPGGSA-N 404.514 3.233 10 1 HGCF O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc3cccnc3c2O)CC1 53314013 LPXRQSLOMAPPFK-UHFFFAOYSA-N 417.918 3.100 10 1 HGCF O=C(NN1C(=O)CS[C@@H]1c1ccccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 84729863 VXMOKIJGRWEYNQ-LJQANCHMSA-N 414.874 3.355 10 1 HGCF COc1c(O)ccc([C@@H]2c3ccc(O)cc3C[C@H](c3ccc(O)c(O)c3)[C@H]2O)c1O 238769338 LWHBAGHPBNRPSU-TYCQWZJGSA-N 410.422 3.056 10 1 HGCF O=C(NCCCCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O 169538413 DREKRZFIOMALFJ-UHFFFAOYSA-N 416.474 3.009 10 1 HGCF in-vitro COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)cc(O)c(O)c41)[C@@H](C2)C3=O 587450613 NGCZWDKDHSCRGL-BSEYFRJRSA-N 416.385 3.048 10 1 HGCF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)o1 169689014 SVORYLYQJBZKTA-PMACEKPBSA-N 406.438 3.399 10 1 HGCF O=C1c2ccc(O)cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1 299853790 QBZGVBNVGAEXTE-UHFFFAOYSA-N 416.393 3.114 10 1 HGCF COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC 13826449 VCGBVLOXSFYYES-UHFFFAOYSA-N 418.490 3.065 10 1 HGCF Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 14133129 FNIABQWZJINKOM-QGOAFFKASA-N 416.393 3.360 10 1 HGCF COC(=O)C[C@@H]1c2c(-c3ccc(O)cc3OC)cc(O)c(O)c2C[C@H]1C(C)(C)O 1772572030 MHWMLPBZCSQTLJ-GOEBONIOSA-N 402.443 3.069 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587823972 XZKRIXIQUWYCHZ-LZVRBXCZSA-N 410.239 3.056 10 1 HGCF O=Cc1cccc(OCc2cn(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)c1 1772597447 MKEZTGJNRGVVEQ-UHFFFAOYSA-N 423.428 3.493 10 1 HGCF Oc1ccccc1CNC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356286981 BMLBXJJRQLBVNW-NWSQWKLXSA-N 412.461 3.427 10 1 HGCF Cc1nnc(Sc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O)s1 96932731 JGPKOOBYDSRBNI-UHFFFAOYSA-N 424.485 3.412 10 1 HGCF C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 95901740 LSNSUZUVRXFZLV-GFUUYCAGSA-N 410.514 3.015 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 587741819 PGOPUBGHOHILJS-RNODOKPDSA-N 423.326 3.003 10 1 HGCF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc(O)c(O)cc2C1 28964166 GNMGTHXPOHHXCC-HSZRJFAPSA-N 409.574 3.489 10 1 HGCF Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(O)nc3c2=O)cc1 73196317 QOUGJGWGXPUNCS-UHFFFAOYSA-N 422.391 3.263 10 1 HGCF Nc1ccc(C2(c3ccc(N)c([N+](=O)[O-])c3)C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 98082479 UGDGFKDURRLGAX-UHFFFAOYSA-N 418.365 3.033 10 1 HGCF COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2CC(=O)NC1CCCCC1 1857610591 JKYCPRZHYSZSRM-UHFFFAOYSA-N 413.562 3.282 10 1 HGCF CC(=CCc1c(O)cc2c(c1O)CNC2=O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356327517 CBPVPTUUJSJVNN-HXUWFJFHSA-N 403.519 3.469 10 1 HGCF CC(C)(C)C(=O)OCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 72109684 IVVRHKAPWWQYGY-UHFFFAOYSA-N 416.382 3.208 10 1 HGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 587823970 XZKRIXIQUWYCHZ-DYBLOJMWSA-N 410.239 3.056 10 1 HGCF O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccccc1)c1cc(O)c(O)c(O)c1 142424515 RLZJNVWJFNVMCT-PZJWPPBQSA-N 410.378 3.116 10 1 HGCF O=C(OCCCCN1CCCCC1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 209357963 VQWYIFXWKHRYPA-UHFFFAOYSA-N 423.465 3.296 10 1 HGCF COc1cc2c(Sc3nccs3)ncnc2cc1OCCCN1CCOCC1 84671061 PCSBHUKMSRJCPC-UHFFFAOYSA-N 418.544 3.347 10 1 HGCF CN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1 1857535439 HHWNBWQRESNDJP-UHFFFAOYSA-N 403.486 3.060 10 1 HGCF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N4CCN(C)CC4)cc3)C2)cc1OC 1857609886 WQEXQLNOSVQQKJ-JOCHJYFZSA-N 422.529 3.153 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(S(C)(=O)=O)ccc2O)N1 587849062 JHFHSBDVQGYLSH-XYZCENFISA-N 414.296 3.321 10 1 HGCF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H](OC(=O)[C@H]2N=NN)O1 2356817639 UNITWFMNAQJUIZ-FEZYCPBGSA-N 401.580 3.103 10 1 HGCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 587404432 QDMNHBBVLPIXCY-QHCPKHFHSA-N 403.390 3.147 10 1 HGCF Cc1ccc(S(=O)(=O)Nc2cc3oc4cccc(O)c4c(=O)c3c(O)c2O)cc1 1857757276 GSDDWDCSOPCBGE-UHFFFAOYSA-N 413.407 3.172 10 1 HGCF COc1ccc(C(=O)O[C@@H]2Cc3ccc(O)c(O)c3O[C@H]2c2ccc(O)c(O)c2)cc1 13537310 IDRPVXFZEVSPPM-CTNGQTDRSA-N 424.405 3.419 10 1 HGCF CN(C)/N=N\C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C 64311298 OJXRTGXEJOAQHX-HZYSMOKWSA-N 404.474 3.421 10 1 HGCF COc1c(C(=O)Nc2ccc(N)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C 96926929 WEUGSLAHJQFXDD-UHFFFAOYSA-N 410.474 3.274 10 1 HGCF NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccccc2O)cc1 103183570 CLXFCGPAKBVJNW-FQEVSTJZSA-N 409.467 3.101 10 1 HGCF Cc1c(C)c2c(c(Cn3nnnc3CCc3ccc(O)c(O)c3)c1O)CCC(C)(C)O2 49803628 VOYIVCPBUKZWRF-UHFFFAOYSA-N 424.501 3.344 10 1 HGCF COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1cc(O)c(O)c(OC)c1 15272043 RSRAOKVDJGLBST-MSOLQXFVSA-N 420.502 3.434 10 1 HGCF biogenic COc1ccc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc1OCc1ccccc1Cl 26441040 JTKMSWOTCCSTGM-DHDCSXOGSA-N 424.848 3.247 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCO)CCO)cc2)N1 587742771 TYMDRPRJRZIACA-RBZFPXEDSA-N 423.326 3.003 10 1 HGCF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(O)c(O)c41)[C@@H](C2)C3=O 587451067 OHUAWINKZCJNRS-FYSMJZIKSA-N 400.386 3.342 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 587792666 LWSGLABBTBRETQ-OVWNDWIMSA-N 404.283 3.384 10 1 HGCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccccc1)c1cc(O)c(O)c(O)c1 73162274 RLZJNVWJFNVMCT-TZIWHRDSSA-N 410.378 3.116 10 1 HGCF COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 7992823 XZVOLWIQKPPFRO-KOSHJBKYSA-N 407.514 3.377 10 1 HGCF Nc1ccc(OCc2cn(-c3cc(=O)oc4ccc(Br)cc34)nn2)cc1 103271624 PEIABWKTTUVNOX-UHFFFAOYSA-N 413.231 3.297 10 1 HGCF C[C@@]1(c2cc(NC(=O)CCc3ccc(O)c(O)c3)ccc2F)CCSC(N)=N1 147828177 RJOUNGIYOAZIGM-FQEVSTJZSA-N 403.479 3.475 10 1 HGCF O=C(Cc1ccccc1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 29406816 MVLSOYGZRNSDQJ-NFBKMPQASA-N 424.405 3.045 10 1 HGCF Cc1ccc(N2C(=O)/C(=C\c3cc4ccccc4n3CC(=O)O)C(=O)N(C)C2=O)cc1 45368970 LBEBPOFOUPFQEM-PDGQHHTCSA-N 417.421 3.043 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587775484 SUEYGKUIEWDVOX-GIPWTMENSA-N 418.310 3.408 10 1 HGCF COc1ccc(C(=O)OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 103235133 CUKVWNAGSQVAJV-UHFFFAOYSA-N 404.374 3.239 10 1 HGCF O=C(O)c1ccccc1Nc1ccc(OCCCCP(=O)(O)O)cc1C(=O)O 584905459 VJUHVFNGPLDDFZ-UHFFFAOYSA-N 409.331 3.163 10 1 HGCF in-vitro C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccc(N)cc1 2492865 MBUNTRPKMUXCIP-VVRDVVMGSA-N 407.514 3.038 10 1 HGCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OC[C@H]1CCCCO1 26503232 KWRNMVFTWXAMRQ-JOCHJYFZSA-N 416.562 3.239 10 1 HGCF COc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc([N+](=O)[O-])c1O 87722320 KHTFOJQEYCSBBN-ZSOIEALJSA-N 404.425 3.420 10 1 HGCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCc3ccccc3)c(O)cc(O)c12 299836975 NZSFZLGJUNOXKE-UHFFFAOYSA-N 421.405 3.278 10 1 HGCF CN1C[C@@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]21 29487252 BTLXNTWNCUMBTR-RRPUWOKSSA-N 404.510 3.185 10 1 HGCF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc(N(C)C)cc4)nc3c21 40421156 CAPABJAFEMXWPZ-UHFFFAOYSA-N 407.449 3.129 10 1 HGCF COc1c2cc(c(O)c1OC)CCCCC(=O)[C@@H](OC)Cc1cc(O)c(O)c-2c1 45505805 VSWSCBZOQFDYLA-SFHVURJKSA-N 402.443 3.341 10 1 HGCF biogenic C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560833 AJBXCZTXKSOOQZ-LMLNIYCXSA-N 421.497 3.241 10 1 HGCF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(N2CCN(C(C)=O)CC2)cc1 963052700 GIUUTKVMCQGRRJ-DEOSSOPVSA-N 416.525 3.147 10 1 HGCF COc1cc(C(=O)NCCN(C)C)c2nc3c(ccc4c(OC)cccc43)nc2c1 27858553 VLDFQSIVMCOEKV-UHFFFAOYSA-N 404.470 3.245 10 1 HGCF O=C1NC(=O)C(=Cc2ccc(OCCOc3ccc4ccccc4c3)cc2)C(=O)N1 40953122 CWNQHSWSYFUMGW-UHFFFAOYSA-N 402.406 3.047 10 1 HGCF C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 95901746 LSNSUZUVRXFZLV-CDSBBMBDSA-N 410.514 3.015 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587848843 IZQMHGWDOYWZKA-XLKFXECMSA-N 406.192 3.452 10 1 HGCF CCCCc1ccc(Nc2nc3c(ncn3[C@@H]3C[C@@H](O)[C@@H](CN=[N+]=[N-])O3)c(=O)[nH]2)cc1 17259674 LFJHCRIDEWWIKI-OAGGEKHMSA-N 424.465 3.165 10 1 HGCF Cc1ccc(NC(=O)NCCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27726697 BORFATDBQZJMKK-KKSFZXQISA-N 401.507 3.410 10 1 HGCF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccc(N(C)C)cc1 82212958 UXRGYGNRUDVJTC-UHFFFAOYSA-N 403.534 3.185 10 1 HGCF COC(=O)c1c(C(C)C)cc(O)c2c(O)c3c(c(O)c12)C(=O)c1cccc(O)c1C3=O 28645178 HTVOGBPALREQDG-UHFFFAOYSA-N 422.389 3.348 10 1 HGCF CC(=O)C[C@@]1(O)C(=O)c2c(oc3cc(O)c(O)cc23)-c2oc3cc(O)c(O)cc3c21 169310026 YOKUNGSJWHUOJL-NRFANRHFSA-N 410.334 3.031 10 1 HGCF COc1ccc(N2CCN(C3=C(Cl)C(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 64511859 WYGDKGPRXVZBBT-UHFFFAOYSA-N 411.889 3.149 10 1 HGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 587836555 AIAWGEKPAPXPSA-ASCAZGACSA-N 408.223 3.086 10 1 HGCF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(N3CCOCC3)cc2F)N1)C(F)(F)F 962715972 TTWVUZUVYQUDAP-RBUKOAKNSA-N 408.395 3.397 10 1 HGCF COc1c(O)ccc2c1C(=O)c1c(cc(O)c3c1[C@H](c1ccccc1)OC3=O)C2=O 13375668 XHIVQYWGRAIKSE-NRFANRHFSA-N 402.358 3.142 10 1 HGCF biogenic COc1cc2c(cc1OC)[C@@]13CC[C@H]4C(=CCO[C@H]5CCN2[C@H]1[C@H]54)CN(C#N)CC3 2356415898 AGGOIZXUFZURQH-MUTMVCIVSA-N 407.514 3.072 10 1 HGCF O=[N+]([O-])C(/N=N/c1ccc([N+](=O)[O-])cc1)=C1\NCCN1Cc1ccc(Cl)nc1 103216843 LITMYPLIFOGWBM-YZORZNRUSA-N 403.786 3.236 10 1 HGCF Cc1cc(-c2csc(NC(=O)[C@@H]3CCC(=O)NN3)n2)c(C)n1-c1ccc(F)cc1 618013009 BDAIOKQPDPIBMO-INIZCTEOSA-N 413.478 3.078 10 1 HGCF CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(OCCN(C)C)ccc1-2 40412281 ANAAVSLAKWHNKD-UHFFFAOYSA-N 419.525 3.105 10 1 HGCF O=S(=O)(Nc1cn(CC2CC2)cn1)c1cc(Br)cc(Cl)c1O 1911585327 CMFUFHNCKKLBPA-UHFFFAOYSA-N 406.689 3.215 10 1 HGCF CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(N(C)C)cc1 4036244 ULQBWHVFRVJIHK-HXUWFJFHSA-N 414.531 3.212 10 3 HGCF CN1O[C@](C)(CC(=O)NCc2ccc(N(C)C)cc2)N=C1c1cccc(Cl)c1 205231830 QRHBHXWUNTVPBT-OAQYLSRUSA-N 400.910 3.452 10 3 HGCF COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 1772631985 UJRKOSVHCNMAII-UHFFFAOYSA-N 419.547 3.411 10 1 HGCF CN1CC2(C1)CN(c1ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c1)C2 1857588333 ZDANGRFLDGYBKN-UHFFFAOYSA-N 415.497 3.060 10 1 HGCF COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1O 28638527 HTHZLCXYYQFBSC-SZEPBZDZSA-N 418.442 3.073 10 1 HGCF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)sc2c1CCCCCC2 169689769 GWXPNBDKQUNSRF-UAXWRAGISA-N 407.488 3.010 10 1 HGCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O 261105862 HLHQJMGCPDOWLS-UHFFFAOYSA-N 413.375 3.167 10 1 HGCF CCCc1c(C)nc2c(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cnn2c1O 6246285 KUKCAMFZNXTVQZ-UHFFFAOYSA-N 407.518 3.275 10 1 HGCF O[C@](CSC(=S)NCc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F 103264688 JEVYWOYFXKLDES-IBGZPJMESA-N 420.510 3.252 10 1 HGCF COc1ccc(Oc2coc3c(CN4CCC[C@@H]4C(=O)O)c(O)ccc3c2=O)cc1 19703017 BTTAHFNYNVXKCL-QGZVFWFLSA-N 411.410 3.349 10 1 HGCF biogenic CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccc(OCCN(C)C)cc1-2 40423057 IMXTYZCWLCRVLR-UHFFFAOYSA-N 419.525 3.105 10 1 HGCF Oc1ccc(C[C@@H]2c3cc(O)c(O)cc3C[C@H]3c4cc(O)c(O)cc4CCN32)cc1O 12153740 FAGGKCPHMLDUDN-MSOLQXFVSA-N 421.449 3.360 10 1 HGCF biogenic COc1cc([C@@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=NN2C(C)=O)ccc1O 84704436 VHXIENIOZNFJDM-INIZCTEOSA-N 408.410 3.219 10 1 HGCF Oc1ccc(Br)cc1C1=NN[C@@H](c2cc3ccccc3n3nnnc23)C1 1857583320 ONFTUMHYZLIWDV-OAHLLOKOSA-N 409.247 3.184 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 586949096 QDJULEDSMWBHJV-UHFFFAOYSA-N 400.229 3.209 10 1 HGCF C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587561414 QFLAGGANESUYOP-YVNBRXOLSA-N 405.454 3.417 10 1 HGCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC)CCOC)c1 18096345 TUZQPZFIWIKKQP-OCOZRVBESA-N 407.906 3.117 10 1 HGCF COc1ccc(N2CCN(Cc3cc(=O)c4c(OC)cc(OC)cc4o3)CC2)cc1 95575961 MIUKJPQSUFWBKF-UHFFFAOYSA-N 410.470 3.141 10 1 HGCF O=c1oc2c3oc4cc(O)c(O)c(O)c4oc3cc3c(=O)oc4c(O)c(O)cc1c4c32 15204444 WJVRFNZACTZZTH-UHFFFAOYSA-N 424.273 3.073 10 1 HGCF biogenic COc1cc2c(cc1OC)[C@H](c1ccc(O)c(O)c1)N(C(=O)c1ccccc1N)CC2 963155375 GPSUCMMGZRWCRF-QHCPKHFHSA-N 420.465 3.485 10 1 HGCF COc1ccc(-c2noc([C@@H]3C[C@@H](NCc4ccc(N(C)C)cc4)CN3C)n2)cc1 2356302625 HIFVDLUPBNVNMQ-NQIIRXRSSA-N 407.518 3.346 10 1 HGCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@H]1c1cccc([N+](=O)[O-])c1 84671428 PGKSBYXEROKQQP-KRWDZBQOSA-N 407.382 3.413 10 1 HGCF COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccccc3)C2)c(O)c1 40873623 KNGVMBVEZOXJQX-OAQYLSRUSA-N 423.494 3.404 10 1 HGCF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(=O)c1ccccc1)C2 100646700 SCOHSAGQPWTNRN-MYGLTJDJSA-N 408.498 3.063 10 1 HGCF CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82181176 XICCWYAYQUUMNT-UHFFFAOYSA-N 419.533 3.052 10 1 HGCF CC(=O)C[C@@]1(c2cc(F)ccc2O)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962643260 PZUPUOXSQQOEIP-ZEQRLZLVSA-N 422.456 3.401 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587848838 IZQMHGWDOYWZKA-CLAHSXSESA-N 406.192 3.452 10 1 HGCF Cc1cc(-c2csc(NC(=O)[C@H]3CCC(=O)NN3)n2)c(C)n1-c1ccc(F)cc1 618013022 BDAIOKQPDPIBMO-MRXNPFEDSA-N 413.478 3.078 10 1 HGCF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc([N+](=O)[O-])c2O)N1 962696039 JXJKPZMCXHLPNK-JSGCOSHPSA-N 400.284 3.147 10 1 HGCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)cc4)C[C@H]3O2)c(CO)c(O)c1O 2356355177 RQOPWZDSWFQBKU-DYWRSEPTSA-N 416.470 3.079 10 1 HGCF Oc1ccc(Br)cc1C1=NN[C@@H](c2ccc(N3CCOCC3)cc2)C1 49034686 QYNKXCOXGFVNGC-QGZVFWFLSA-N 402.292 3.430 10 1 HGCF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 95566332 SGOGQHKOFUBKLH-JOCHJYFZSA-N 406.534 3.393 10 3 HGCF CC(C)CN(Cc1ccc(N2CC[C@H](O)C2)cc1)S(=O)(=O)Cc1ccccc1 147267424 CONJPXFUCYVLQH-QFIPXVFZSA-N 402.560 3.246 10 1 HGCF C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 95901744 LSNSUZUVRXFZLV-AUPQHMSCSA-N 410.514 3.015 10 1 HGCF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586962632 TVVXUKFNGUNUQQ-SECBINFHSA-N 417.450 3.269 10 1 HGCF Cc1ccc2c(c1)cc([C@@H]1CC(c3cc(Br)ccc3O)=NN1)c1nnnn12 1857579389 NYOYEUMCCMJAMQ-INIZCTEOSA-N 423.274 3.493 10 1 HGCF COc1ccc(CNC(=S)SCc2nc(=O)c3ccccc3[nH]2)c(OC)c1 209469069 YFDMIQPUTJKSGA-UHFFFAOYSA-N 401.513 3.248 10 1 HGCF COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)s2)C1=O 29044298 RVUCDUNZFFAXDL-AUWJEWJLSA-N 419.436 3.028 10 1 HGCF Cc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(=O)CO)cc2)C1 1772654815 WXSLHFKHNRQTLR-HTAPYJJXSA-N 410.514 3.363 10 1 HGCF O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 1857626923 YPWOJXFVKQGGKM-UHFFFAOYSA-N 402.362 3.311 10 1 HGCF COCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27848759 FUVXLAQECVGMPR-UHFFFAOYSA-N 418.497 3.253 10 1 HGCF O=c1oc2ccc(NCc3cc(O)ccc3O)cc2c(=O)n1CCc1ccccc1 13491729 HFRVJTNTQXHWKH-UHFFFAOYSA-N 404.422 3.221 10 1 HGCF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc([N+](=O)[O-])c2O)N1 962696037 JXJKPZMCXHLPNK-GXTWGEPZSA-N 400.284 3.147 10 1 HGCF COc1cc(C(=O)Nc2ccc(-c3ccc(O)c(O)c3)cc2[N+](=O)[O-])cc(O)c1O 73197417 NIEPDKRLQCFPTD-UHFFFAOYSA-N 412.354 3.345 10 1 HGCF C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661359 KEYZBOWAMAUVGG-DNVCBOLYSA-N 405.539 3.018 10 1 HGCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 587405446 WWMDXYNEWVUXMN-HSZRJFAPSA-N 403.390 3.147 10 1 HGCF COc1ccc2c(ccc3nc4cccc(C(=O)NCCN(C)C)c4nc32)c1OC 27857258 JJISFRKCENSPTB-UHFFFAOYSA-N 404.470 3.245 10 1 HGCF COc1ccc(N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 29463432 JRPXLQIRTYPMNR-UHFFFAOYSA-N 413.562 3.307 10 1 HGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 586948115 CLRDMUTXDZLMRA-UHFFFAOYSA-N 400.229 3.209 10 1 HGCF COc1ccc(OC)c([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962965490 LAXKWTVIBZXSQC-NSPYISDASA-N 413.804 3.203 10 1 HGCF COc1ccc(N2CCN(C(=O)c3cnc4cc(C(C)=O)ccc4c3O)CC2)cc1 144806152 BWUUTOZEQYHASO-UHFFFAOYSA-N 405.454 3.114 10 1 HGCF CN1CCN(Cc2cc(C(=O)NC3(c4ccccc4F)CCCC3)ccc2O)CC1 473109529 SQBHFZXVDBITOH-UHFFFAOYSA-N 411.521 3.478 10 1 HGCF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586960428 WVAZDVWQUTVIKH-NRFANRHFSA-N 424.482 3.406 10 1 HGCF C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 1857598069 WNUOARVONLZPJK-DOPJRALCSA-N 406.452 3.347 10 1 HGCF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccc(F)cc3)c(O)c(O)c12 1857653843 GEBCQSNHQJBGFN-UHFFFAOYSA-N 417.370 3.003 10 1 HGCF COc1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)cc1Br 963015934 BCVNUQSUXVRDML-GIGQVBGESA-N 403.276 3.306 10 1 HGCF COc1ccc(N2CN=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n3C2)cc1 1857542679 NKDDHVFVZIMYLI-CAOOACKPSA-N 420.321 3.109 10 1 HGCF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586962633 TVVXUKFNGUNUQQ-VIFPVBQESA-N 417.450 3.269 10 1 HGCF Cc1c(O)cc(O)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1O 962918347 IGIIPPHOQLBELN-LAUBAEHRSA-N 423.421 3.298 10 1 HGCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1=O 169325471 DBQLLQGFGQEFFS-VHEBQXMUSA-N 413.375 3.167 10 1 HGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 587775481 SUEYGKUIEWDVOX-BIBXISHDSA-N 418.310 3.408 10 1 HGCF c1cc(N/N=N/CCN2CCOCC2)cc(Nc2nccc(-c3cccnc3)n2)c1 13553261 LQDTVJCKGXASAK-UHFFFAOYSA-N 404.478 3.394 10 1 HGCF CCOC(=O)COc1ccc(C(=O)Nc2ccc(O)c(CN)c2)c(Cl)c1Cl 28006485 KYGUCNDOINWQQG-UHFFFAOYSA-N 413.257 3.352 10 1 HGCF COc1ccc2[nH]c(CN3CCc4ccc([N+](=O)[O-])cc43)c(CCNC(C)=O)c2c1 40846841 IDSDEOVVGPJJEU-UHFFFAOYSA-N 408.458 3.326 10 1 HGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2cccc(CO)c2)c(F)c1 1911574074 INHJBTZMBKOVDA-UHFFFAOYSA-N 417.371 3.480 10 1 HGCF O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(CN2CCCC2)c(O)c2ncccc12 1857638881 RCJNTPPSDQWRRM-UHFFFAOYSA-N 420.469 3.303 10 1 HGCF COc1ccc(N2CCN(C[C@@H]3CN4C(SC)=Nc5ccccc5C4=N3)CC2)cc1 100740255 VFSCNJGFIPRZNN-QGZVFWFLSA-N 421.570 3.312 10 1 HGCF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccc(N)cc1)[C@H](OC(=O)c1ccccc1)C2 100744657 SCOHSAGQPWTNRN-YSFYHYPLSA-N 408.498 3.063 10 1 HGCF O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587358837 XNSPJFXPJHCDEV-OFNKIYASSA-N 424.380 3.368 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587848841 IZQMHGWDOYWZKA-RTHLEPHNSA-N 406.192 3.452 10 1 HGCF Cn1c(O)c(C2=NNC(=O)C2=CNc2cccc3ccccc23)c(=O)c2ccccc21 2356862779 UNHKBZSFNMBELH-UHFFFAOYSA-N 410.433 3.227 10 1 HGCF CC(=O)Oc1ccc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962974435 KRLUEKPFMJECON-LIRRHRJNSA-N 411.788 3.112 10 1 HGCF O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587358829 XNSPJFXPJHCDEV-NFBKMPQASA-N 424.380 3.368 10 1 HGCF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(=O)c1ccccc1)C2 100645188 SCOHSAGQPWTNRN-YUMYIRISSA-N 408.498 3.063 10 1 HGCF O=C1c2cc(O)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1 299853228 HZCIOARJQDCUSA-UHFFFAOYSA-N 416.393 3.114 10 1 HGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587845430 ANFVTVVOVLWFCF-CLAHSXSESA-N 406.192 3.452 10 1 HGCF COC[C@@H](Cc1cc(O)c(O)c(OC)c1)[C@H](COC)Cc1ccc(OC)c(OC)c1 15272041 RSRAOKVDJGLBST-ZWKOTPCHSA-N 420.502 3.434 10 1 HGCF biogenic COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(=O)O)cc1Br 1857641460 BLLKOBZKHRIPFD-LCYFTJDESA-N 401.216 3.329 10 1 HGCF COc1cc([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)c(CO)c(O)c1O 85596392 RQOPWZDSWFQBKU-BAPHQFHRSA-N 416.470 3.079 10 1 HGCF biogenic,in-vitro COC(=O)c1ccc(Cn2cc(C(=O)C(=O)c3ccc(Cl)cc3Cl)nn2)o1 96932336 RBQUYSPGOSTZDL-UHFFFAOYSA-N 408.197 3.078 10 1 HGCF O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)c1cccs1)c1nsnc21 219748467 XNVLBIXRKRKQRP-UHFFFAOYSA-N 412.473 3.361 10 1 HGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(S(C)(=O)=O)ccc2O)N1 587849054 JHFHSBDVQGYLSH-HUTHGQBESA-N 414.296 3.321 10 1 HGCF C[C@H](CCCCNC(=O)OCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 27726676 SMQPASACOUXUJE-IERDGZPVSA-N 402.491 3.206 10 1 HGCF CC(=O)COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27856236 SRXNDGQVQRABAM-UHFFFAOYSA-N 416.481 3.195 10 1 HGCF COC(=O)CCCC(=O)Nc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95595257 ZGDYAGUMVCOFJB-UHFFFAOYSA-N 404.422 3.032 10 1 HGCF CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O 2965382 BSCRFAYYECLXQY-GOSISDBHSA-N 409.467 3.328 10 3 HGCF O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(-n2ccnc2)ccc1O 35242442 GRMHBQNBJNJWOV-UHFFFAOYSA-N 402.332 3.462 10 1 HGCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)n1 221120554 BUCRVAXNIHUGQK-YLJYHZDGSA-N 424.549 3.383 10 1 HGCF