smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(OC)c2)SC1=S 6951078 JUQBIIQLLBRCKK-PDGQHHTCSA-N 385.510 4.495 10 50 GICA CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 1134097 KFWFLUJZMBLFGB-WOJGMQOQSA-N 399.878 4.292 10 50 GICA C[C@@H](COc1ccccc1)COc1ccc(/C=C2/SC(=S)NC2=O)cc1 1180841 MYVXVSGTKLSJEO-BGARDKSCSA-N 385.510 4.269 10 50 GICA COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)cc1 637415 IZMJHNYTIKCDOH-OAHLLOKOSA-N 390.936 4.178 10 50 GICA Cc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2959730 RWZHJSMQUMTMLC-QGOAFFKASA-N 385.510 4.284 10 50 GICA COc1ccc(CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1OC 1191588 MHWLAZWOXRJLAF-WJDWOHSUSA-N 391.539 4.209 10 50 GICA O=c1oc2c(CN3CCCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1 4247248 NLJQBQOBRFPOAO-UHFFFAOYSA-N 389.455 4.418 10 50 GICA biogenic Cc1ccc(C2=NN3C(=N)/C(=C\c4c(C)[nH]c5ccccc45)C(=O)N=C3S2)cc1 51192424 SUZXXCIJRLDPQU-AMWUQPRHSA-N 399.479 4.452 10 50 GICA CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)cc1 2834050 XHOUPBYMCSZESU-BOPFTXTBSA-N 399.493 4.118 10 50 GICA Cc1cccc(C)c1OCCOc1ccccc1/C=C1\SC(=S)NC1=O 15800603 XHEGTJAPULNOCZ-ATVHPVEESA-N 385.510 4.250 10 50 GICA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2976043 XAHYGXUUKWPIBE-UYRXBGFRSA-N 399.537 4.422 10 50 GICA COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccs1 1103079 HWXIEJOUKLSNEL-UVTDQMKNSA-N 389.860 4.287 10 50 GICA COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 1207601 IBXNLQKWCQRVLQ-BOPFTXTBSA-N 383.494 4.496 10 50 GICA Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccccc1 628664 CCFNUARFKRJEIR-UHFFFAOYSA-N 389.484 4.045 10 50 GICA COc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)c(O)c1 12241991 QYAYUPURTLUQLA-IBGZPJMESA-N 377.488 4.479 10 50 GICA CCOc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1CO 11753412 NLVJNBHDUOYCQG-HNNXBMFYSA-N 383.467 4.062 10 50 GICA Cc1cccc2cc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)c(=O)[nH]c12 218427747 UVDCIDLIICADGV-UHFFFAOYSA-N 398.378 4.085 10 50 GICA CSc1ccc(Cl)c(C(=O)NCc2cc(Br)ccc2O)c1 239782402 COGCFNHCKLCSDT-UHFFFAOYSA-N 386.698 4.460 10 50 GICA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 677541 KJYQNIKVISLHAL-MOSHPQCFSA-N 395.890 4.291 10 50 GICA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1228384 VJZKEKLLAISPQJ-QJGQKNTRSA-N 390.313 4.304 10 50 GICA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCCc1ccccc1 2812989 YOEPQENVQFNQQW-LGMDPLHJSA-N 384.482 4.429 10 50 GICA COc1ccc(N2CCOCC2)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6715958 WMRAMZQUPYKWNR-UHFFFAOYSA-N 384.520 4.077 10 50 GICA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)cc1 13799671 BYYYTDZKJYHIKC-LGMDPLHJSA-N 388.558 4.035 10 50 GICA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2C)c1O 17079609 UQUGYKFEDZSUFJ-PDGQHHTCSA-N 390.418 4.140 10 50 GICA COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)OC(C)C)ccc23)cc1 1155865 XJVVCGHINNUCIR-UHFFFAOYSA-N 382.412 4.107 10 50 GICA biogenic CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1191339 GVWMZTLFUNPRTG-RMCZBGCRSA-N 390.313 4.448 10 50 GICA NS(=O)(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 1875387963 HDCKPEBEOKGNCH-RLFDGXBXSA-N 395.311 4.467 10 50 GICA O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1 1197704 CLVUXPMGRSDELA-VKAVYKQESA-N 382.510 4.307 10 50 GICA COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(Br)cc2)C1=O 3145318 YJWGQLZFHOYHMK-CQSZACIVSA-N 393.262 4.096 10 50 GICA COc1ccc([C@H](C)[C@@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 139091912 NZFYZLLMZQSARH-MORSLUCNSA-N 380.404 4.198 10 50 GICA COc1cccc2cc([C@@H](C)NCc3ccc(N4CCC(O)CC4)cc3)oc12 850565399 DGGQETBBJFHJPL-MRXNPFEDSA-N 380.488 4.253 10 50 GICA COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1 20209667 YDHZMCLGIIYZFT-GOSISDBHSA-N 377.488 4.479 10 50 GICA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 4982486 HKLWBQXDUWLMNH-CVDCTZTESA-N 377.488 4.021 10 50 GICA NS(=O)(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 1875387961 HDCKPEBEOKGNCH-AGKHESDQSA-N 395.311 4.467 10 50 GICA CCN1C(=O)/C(=C\c2sccc2C)C(=O)N(c2ccc(Cl)cc2)C1=S 4739422 VQYWOBIVIAARFC-GXDHUFHOSA-N 390.917 4.274 10 50 GICA Cn1c(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)nnc1C1CC1 130668224 FWVQIRYTQDHVNP-UHFFFAOYSA-N 393.438 4.411 10 50 GICA Cc1cc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)ccc1Br 1116220 HOIOXOBHLUHDFC-OVCLIPMQSA-N 391.290 4.489 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 1104057 AGFTXADPJIYJKQ-CPNJWEJPSA-N 394.496 4.040 10 50 GICA Cc1cccc([C@H]2CC(c3ccccc3O)=NN2S(=O)(=O)c2ccccc2)c1 252491702 LRDQDCUHFQTAJN-OAQYLSRUSA-N 392.480 4.241 10 50 GICA Cc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(C)n1-c1ccc(F)cc1 241815972 SEPCLCCLSLKMBI-KRWDZBQOSA-N 391.446 4.089 10 50 GICA O=C(c1cccs1)[C@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 1506399101 KAELKBDOIHKNMT-INIZCTEOSA-N 398.528 4.041 10 50 GICA Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)c1 5101282 WSPIOAUXBORBMP-KGENOOAVSA-N 399.406 4.443 10 50 GICA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Br)o1 5093357 ABWZWRXXBYPAKG-UHFFFAOYSA-N 396.196 4.070 10 50 GICA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCCc1ccccc1 1137037 WMNLEDHSBXIXIQ-PDGQHHTCSA-N 383.494 4.249 10 50 GICA CCCCC1(Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 5711582 ZQEMBBPLSDYZSO-UHFFFAOYSA-N 387.277 4.305 10 50 GICA Cc1cc(C)cc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)c1 15800361 BYOHTQKVGAPVBR-PDGQHHTCSA-N 385.510 4.250 10 50 GICA Cc1ccc(C)c(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)c1 15800321 WUWHKPHNCLJNLH-PDGQHHTCSA-N 385.510 4.250 10 50 GICA O=C1N=C(O)/C(=C\c2cccc3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1 1173970 PNDHZVVLKBBGLP-WOJGMQOQSA-N 387.351 4.255 10 50 GICA C[C@H](COc1ccccc1)COc1ccc(/C=C2/SC(=S)NC2=O)cc1 1180843 MYVXVSGTKLSJEO-XWAFYUISSA-N 385.510 4.269 10 50 GICA O=C1N=C(N2CCCC2)S/C1=C\c1ccc(OCc2ccccc2F)cc1 12375535 XXSHYKRZKBSVCB-UYRXBGFRSA-N 382.460 4.471 10 50 GICA COC(=O)c1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 15011183 VQZOZQLPLMDDCI-JXAWBTAJSA-N 397.521 4.307 10 50 GICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)C2=O)cc1C 1184057 VHFYGTJZNZELNX-UDWIEESQSA-N 392.455 4.005 10 50 GICA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Br)cn1 1857524928 KIZFLXMZTGKJFW-UHFFFAOYSA-N 385.265 4.179 10 50 GICA O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1ccco1 1212852 FTKKOHZXGLOFCV-JYRVWZFOSA-N 380.288 4.444 10 50 GICA CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4F)o3)C2=O)cc1 4470606 OTAICYPGKMCJPJ-AQTBWJFISA-N 376.387 4.110 10 50 GICA COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 22109253 JACQCXFZZZQGAS-RCCKNPSSSA-N 399.406 4.438 10 50 GICA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(CO)c1 100505512 YITCVYJAXFYNKD-KGNHYALCSA-N 391.456 4.177 10 50 GICA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1C 1137256 FKZSVBGNJWUOCD-YBFXNURJSA-N 398.422 4.267 10 50 GICA O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)c(Cl)cc1Br 1775971345 NZLZSDVMODWGAJ-UHFFFAOYSA-N 397.077 4.262 10 50 GICA Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1 13482927 MZDORSSHNSEDHI-ZDLGFXPLSA-N 395.509 4.484 10 50 GICA aggregator CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1191341 GVWMZTLFUNPRTG-MDUDVEDUSA-N 390.313 4.448 10 50 GICA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2 13711651 RYZAXTZJRKGARA-PXNMLYILSA-N 389.885 4.470 10 50 GICA Cc1cc(C)cc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)c1 15800266 QDSVGWDQIQOOKS-PDGQHHTCSA-N 385.510 4.250 10 50 GICA O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1Cc1cccnc1 1145792 ABBFPCBDJOQDAM-MLPAPPSSSA-N 397.308 4.495 10 50 GICA COc1cccc(O)c1CN1CCC[C@H](c2[nH]ncc2-c2cccc(C)c2)C1 23129282 WCEOZVIWMDBXSM-SFHVURJKSA-N 377.488 4.479 10 50 GICA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 170609732 HFJFCMIBLDDVEI-OAHLLOKOSA-N 390.439 4.082 10 50 GICA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2C)c1O 100502354 BGCVLTRPYRXEMM-UYRXBGFRSA-N 386.455 4.309 10 50 GICA CCN(CC)Cc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12 977912 LDACRTGBIXQUOU-UHFFFAOYSA-N 383.448 4.403 10 50 GICA COc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 5008907 PKHTXOVJPFWMDN-GZTJUZNOSA-N 387.482 4.118 10 50 GICA O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 5093743 DRONLQWAXZIHMK-UHFFFAOYSA-N 391.335 4.037 10 50 GICA COc1cccc(O)c1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C)c2)C1 23129281 WCEOZVIWMDBXSM-GOSISDBHSA-N 377.488 4.479 10 50 GICA Cc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCC(=O)O)cc2[C@H]2C=CC[C@@H]21 4623640 ZWIATWQRWNERTL-SPEDKVCISA-N 376.456 4.026 10 50 GICA COc1cccc(O)c1CN1CCC[C@@H](c2[nH]ncc2-c2cc(F)ccc2F)C1 19883997 USFDIEFKOZMNLZ-CQSZACIVSA-N 399.441 4.449 10 50 GICA O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C1/C(=O)Nc2ccccc21 1846745 MXCVSJFJFBAEKN-WYMLVPIESA-N 390.251 4.398 10 50 GICA O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)C12C(=O)c1ccccc1C2=O 22781082 LTUQYWGSUQFIAA-PMACEKPBSA-N 397.386 4.257 10 50 GICA Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1C 253393791 WKENTSMSUTWQFK-LJQANCHMSA-N 387.483 4.258 10 50 GICA O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(N(CCO)CCO)cc2)c(Cl)c1 4774544 QODYUYUFBSECEG-FMQUCBEESA-N 399.234 4.108 10 50 GICA O=C1c2ccccc2C(=O)c2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc21 4546813 NSHYLQCKBJJESY-UHFFFAOYSA-N 395.458 4.482 10 50 GICA COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 7496977 BFEQSVCCFGRFNY-UHFFFAOYSA-N 381.259 4.091 10 50 GICA COc1ccc(O)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1 20209670 YDHZMCLGIIYZFT-SFHVURJKSA-N 377.488 4.479 10 50 GICA CCOc1cccc(CN[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1O 11812906 DKULIZWEJCCNDR-LJQANCHMSA-N 399.441 4.422 10 50 GICA Cn1ccc2c(-c3c(-c4ccccc4)ncn3CCN3CCOC3=O)cccc21 65461181 QGSRVENPWLVRJL-UHFFFAOYSA-N 386.455 4.161 10 50 GICA CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1O 15011068 YNGIUCUPKQURFJ-ZSOIEALJSA-N 395.889 4.439 10 50 GICA CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 4482842 FZNZSCDDZWPXHI-LFIBNONCSA-N 387.457 4.408 10 50 GICA O=C(NC[C@@H]1CCCN(Cc2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1 11815168 ONQKFNUCNPUCEH-KRWDZBQOSA-N 398.934 4.106 10 50 GICA CCc1ccc(CN2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 23374967 IUGXVXFQTKEWPQ-DEOSSOPVSA-N 393.575 4.044 10 50 GICA CCN(Cc1ccccc1)c1ccc(CNc2nc(CCOC)ns2)cc1 225515797 DDCYMPSNIYSGFF-UHFFFAOYSA-N 382.533 4.366 10 50 GICA CCN1C(=O)/C(=C/c2ccc(OCc3cccc(OC)c3)cc2)SC1=S 6950923 VWFFNNRPTZWOIR-PDGQHHTCSA-N 385.510 4.495 10 50 GICA CCN1CCC(CCNC(=O)c2ccc3c(c2)c2c(n3CC)C(=O)CCC2)CC1 670471710 ROIWPFHFIXJLJP-UHFFFAOYSA-N 395.547 4.032 10 50 GICA COc1cccc(-c2ccc(O)c(CN3CCN(c4ccccc4C)CC3)c2)n1 64110332 LQRGWDYGXMEUDR-UHFFFAOYSA-N 389.499 4.093 10 50 GICA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(Cc2cccc(OC)c2O)C1 12074868 ALTRZTFWFRCUKK-XMMPIXPASA-N 397.515 4.179 10 50 GICA C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc(N2CCOCC2)cc1 252678279 DCAIPDVOFQLIRP-VPTAFFCTSA-N 385.552 4.098 10 50 GICA CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 65364359 LJOOBLVZKJDDRY-UHFFFAOYSA-N 385.511 4.035 10 50 GICA O=C(O)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1220177 QXYLQZJSVXBFMW-SXGWCWSVSA-N 380.450 4.272 10 50 GICA CCCCC(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O 2488173 XUNLIRPMLDFKJY-KRWDZBQOSA-N 385.445 4.306 10 50 GICA C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc(N2CCOCC2)cc1 252678280 DCAIPDVOFQLIRP-WWUFWPGTSA-N 385.552 4.098 10 50 GICA CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1O 1148511 DIHCERZCYXOPIO-UHFFFAOYSA-N 385.441 4.105 10 50 GICA COc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O 4903388 HLYAFBMYQJXBDZ-XMMPIXPASA-N 398.462 4.397 10 50 GICA CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 101727709 FQODAKKXRZVYDW-UXBLZVDNSA-N 397.259 4.096 10 50 GICA CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 5796161 PYOSJEHUHMREOP-PDGQHHTCSA-N 398.846 4.088 10 50 GICA COc1ccc(C2(Cc3nc4ccccc4[nH]3)C(=O)c3ccccc3C2=O)cc1 631114 VPMMGWBOTMJHSC-UHFFFAOYSA-N 382.419 4.131 10 50 GICA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(Cl)cc4)C(=O)N=C3S2)cc1 2998553 KZTVFOWOOWPHMS-ACXWOISZSA-N 380.860 4.316 10 50 GICA [N-]=[N+]=N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 108644440 QRVOUGLKGXMFRG-SFHVURJKSA-N 380.404 4.069 10 50 GICA C[C@@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(N(C)C)cc1 773631153 WRWWEMZKZHLYTC-QAPCUYQASA-N 387.911 4.330 10 50 GICA CCc1cc(=O)oc2cc(C)c(C3=NN[C@H](c4ccc(Cl)cc4)C3)c(O)c12 2084329499 UWGQGZGEAZLJMQ-HNNXBMFYSA-N 382.847 4.462 10 50 GICA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(C)o3)C(=O)N=C2S1)c1ccccc1 4949476 ZBEXTMSXAZHTAM-MGPPLAMLSA-N 378.457 4.401 10 50 GICA CSCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 214276347 LRLGMZBTKLHQFR-XFXZXTDPSA-N 388.377 4.403 10 50 GICA CCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 713785 SOMVMIRLNYFBQS-GOSISDBHSA-N 379.489 4.220 10 50 GICA COc1ccc(OC)c(-c2ccc(O)c(CN(C)CCc3ccccn3)c2)c1 12080109 UOYADBLQNJFRSR-UHFFFAOYSA-N 378.472 4.146 10 50 GICA COc1ccc(N2C(=O)/C(=C\c3cc(OC)cc(OC)c3)SC2=S)cc1 5024011 VSHAUMYXNLVNHI-LICLKQGHSA-N 387.482 4.118 10 50 GICA CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2571606 MVZZPNFDQDYDOC-ZWIPKHHJSA-N 390.313 4.448 10 50 GICA Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)c1ccc(Cl)cc1 19594748 MJXJZTIBKCEMHR-UHFFFAOYSA-N 385.847 4.163 10 50 GICA C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc(N2CCOCC2)cc1 252678278 DCAIPDVOFQLIRP-KZHMMYNISA-N 385.552 4.098 10 50 GICA CCc1cc2c3c(c1)/C(=C1/SC(=S)N(CC)C1=O)C(=O)N3C(C)(C)C=C2C 12413201 DMYROVPOKAMHLQ-ICFOKQHNSA-N 398.553 4.382 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 102988896 SIZWDJIHABLBSP-LZNRXBQRSA-N 376.481 4.314 10 50 GICA in-vitro Cc1cccc(COc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)c1 640753 KLIKCLJSLJIRCN-PXLXIMEGSA-N 384.435 4.035 10 50 GICA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 12651381 AKJUTQLOPPOIDW-UHFFFAOYSA-N 381.259 4.091 10 50 GICA O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1 44910645 GBANFLFVLDTLEC-UHFFFAOYSA-N 391.559 4.205 10 50 GICA Oc1cc(OCc2ccccc2)ccc1CN1CC[C@H](O)c2ccccc2C1 1875259841 JNBFFOQLLFVQKC-QHCPKHFHSA-N 375.468 4.411 10 50 GICA COc1ccc(N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)cc1 20722075 QATJEADLLZVZCI-UHFFFAOYSA-N 380.879 4.132 10 50 GICA CCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2308805 BOSGIOCVBKTVFW-KAMYIIQDSA-N 383.922 4.275 10 50 GICA CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2O)CC1 4725520 KAOSJEBMVPTIBT-UHFFFAOYSA-N 380.532 4.433 10 50 GICA Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1C 253393790 WKENTSMSUTWQFK-IBGZPJMESA-N 387.483 4.258 10 50 GICA CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 1213513 XQNTUIOPVTWXCP-UHFFFAOYSA-N 377.849 4.398 10 50 GICA COC(=O)c1ccc(N/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C)cc1 15930243 DHIQBPSUBBPUBL-ZHZULCJRSA-N 385.423 4.345 10 50 GICA C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)coc23)C[C@@H](C)O1 19791817 DWAXRXHFYJTINV-ZIAGYGMSSA-N 399.874 4.428 10 50 GICA biogenic O=C(NCc1ccco1)c1ccc([C@@H]2CCCN2Cc2ccccc2O)s1 19795141 XBOOBTDCWWKXRD-KRWDZBQOSA-N 382.485 4.314 10 50 GICA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCc1ccccc1 1149460 IKHLZDHPUONDLJ-UYRXBGFRSA-N 379.506 4.449 10 50 GICA FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nnc2n1CCCC2 278208304 HPOGEFMRJJHIOC-UHFFFAOYSA-N 393.438 4.333 10 50 GICA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc1 706365 XBHGAIGVEQYRLJ-HXUWFJFHSA-N 385.508 4.037 10 50 GICA Cc1ccc(C2=NC(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)S2)cc1 3033471 NQUWUAQXSSWZAL-CCEZHUSRSA-N 399.269 4.141 10 50 GICA CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 16183562 MDJOMQPLURJTQV-ATVHPVEESA-N 399.493 4.278 10 50 GICA N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN12 4724843 YGAWAUHFRVMHCO-SRRKIXIOSA-N 377.473 4.367 10 50 GICA COC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl 5601303 JEBIMMJOUTZHSJ-BOPFTXTBSA-N 383.835 4.154 10 50 GICA O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 975038 GOTSHXUIWCSXBV-ZROIWOOFSA-N 393.873 4.276 10 50 GICA CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1191224 SWDAURBSOYSTQD-SFQUDFHCSA-N 382.510 4.356 10 50 GICA Cc1oc2c(C)c(O)c(CN(C)C)cc2c(=O)c1-c1cnn(-c2ccccc2)c1 4172024 NTHSIVCAFSRNGA-UHFFFAOYSA-N 389.455 4.030 10 50 GICA Cc1c(NCc2cc(Cl)cc(Cl)c2O)c(=O)n(-c2ccccc2)n1C 912959 WZSRQXOFFNGVLZ-UHFFFAOYSA-N 378.259 4.109 10 50 GICA Cc1ccccc1C1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 4725338 OGHQPFLJCDXJFD-OXMFYWCOSA-N 385.452 4.144 10 50 GICA COC(=O)c1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 1161937 KWRJUADOCVPXPF-VBKFSLOCSA-N 375.515 4.255 10 50 GICA CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc21 15012055 UJKUWSGQTZRPDK-LICLKQGHSA-N 396.493 4.100 10 50 GICA Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1ccc(Cl)cc1 22017926 ZRHUBNBYWSZUGO-VHEBQXMUSA-N 392.824 4.202 10 50 GICA CCN1CCN(c2ccc([C@@H](C)NCc3cccc(C(F)F)n3)cc2F)CC1 2325792182 JGHNTJAQZLAISH-OAHLLOKOSA-N 392.469 4.151 10 50 GICA CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3C[C@H](O)COC)cc21 65370588 RNNWSFYKGQDQEO-FQEVSTJZSA-N 375.472 4.199 10 50 GICA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1832404 IGSANGDAAZZQED-VLUKHXRESA-N 388.558 4.451 10 50 GICA CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 71384821 MIMCEXWBANAVQY-HNNXBMFYSA-N 376.547 4.048 10 50 GICA Cc1ccc2cc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)c(=O)[nH]c2c1 218215116 YBTSLSCDYUSVJU-UHFFFAOYSA-N 398.378 4.085 10 50 GICA C[C@@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(N(C)C)cc1 773631151 WRWWEMZKZHLYTC-CRAIPNDOSA-N 387.911 4.330 10 50 GICA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc(C)c2)c1O 19732134 OHORAOAZJLDAMA-MOSHPQCFSA-N 386.455 4.309 10 50 GICA CCCCC1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1 4725360 MPNMXCIYUXAZMI-LITBSJMGSA-N 391.294 4.258 10 50 GICA O=C1NC(=S)S/C1=C\c1cccc(OCCOc2ccccc2Cl)c1 15800352 QWEUQZVZOOGYFO-WJDWOHSUSA-N 391.901 4.287 10 50 GICA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 12437269 ZTQBDPYCHCCTJS-RGEXLXHISA-N 378.432 4.247 10 50 GICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 12314003 IFHGWEIKJKEKSU-SFHVURJKSA-N 383.488 4.283 10 50 GICA O=C1OC2(CCCCC2)OC(=O)C1=CNc1cc(C(F)(F)F)ccc1Cl 1094979 RZFBZBIVYKMKAE-UHFFFAOYSA-N 389.757 4.415 10 50 GICA COc1ccc(OC)c(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c1 1149757 MBCQCDFOFJGYQN-ATVHPVEESA-N 377.531 4.485 10 50 GICA [N-]=[N+]=NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 98088458 TVPIDQLSARDIPX-GOSISDBHSA-N 380.404 4.069 10 50 GICA in-vitro COc1ccc(N2CCN(C(=O)c3ccc(-c4ccco4)cc3)[C@H](C)C2)cc1 72429322 RULSFUUMQBHFMS-QGZVFWFLSA-N 376.456 4.306 10 50 GICA Cc1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c(C)n1-c1ccc(F)cc1 241815973 SEPCLCCLSLKMBI-QGZVFWFLSA-N 391.446 4.089 10 50 GICA Cc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)cc1C 1002950 PFQQHJHOUPUYIQ-MSUUIHNZSA-N 380.494 4.056 10 50 GICA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)OC1CCCCC1 1750280 LBNCZOSUYNPDQG-SSZFMOIBSA-N 375.515 4.154 10 50 GICA COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(c3ccccc3)C1=O)S2 3465988 VXOJAIVHTRFBRK-BMRADRMJSA-N 386.523 4.471 10 50 GICA CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2898260 MVZZPNFDQDYDOC-HBZGRHIISA-N 390.313 4.448 10 50 GICA CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(Br)cc2)SC1=S 2112795 CIFUBNNLWIYJIM-GHXNOFRVSA-N 394.319 4.060 10 50 GICA COC(=O)c1ccccc1NCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1023618 HZWMMZFRUYPCRQ-BOPFTXTBSA-N 398.509 4.052 10 50 GICA CCN1C(=O)/C(=C/c2cccc(OCc3cccc(OC)c3)c2)SC1=S 6951056 IRDHTSCUOAWFCY-PDGQHHTCSA-N 385.510 4.495 10 50 GICA Nc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 22465239 MCHJHYOGYPFAMJ-UHFFFAOYSA-N 393.481 4.454 10 50 GICA Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H](C(=O)O)CC3)c2C)c1 1875353719 DEKTXMOOJMNENY-RTBURBONSA-N 382.504 4.474 10 50 GICA CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2cccc(C(=O)O)c2)N=C1C 841443 CCIFAKXFTVCEMK-BOPFTXTBSA-N 384.819 4.243 10 50 GICA Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 4746270 ZMHDVSQEUQJBSL-RVDMUPIBSA-N 388.539 4.287 10 50 GICA COc1cccc(O)c1CN1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 12219078 LURPCUWBPPPXKN-UHFFFAOYSA-N 377.488 4.479 10 50 GICA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1O 13914172 JBIWSJYZHCHZIN-GHXNOFRVSA-N 392.198 4.413 10 50 GICA COc1ccc([C@H](C)[C@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 104159722 NZFYZLLMZQSARH-KKXDTOCCSA-N 380.404 4.198 10 50 GICA Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C 1131157 QYKMKEWJSMKYRM-XSFVSMFZSA-N 399.450 4.069 10 50 GICA COc1ccc(/C=C2/SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1 22130556 HAKWHYMIVPBZFS-CXUHLZMHSA-N 391.901 4.416 10 50 GICA Cc1ccc(C2=NC(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3O)S2)cc1 5008837 KJQNPHWCPFQKQS-PDGQHHTCSA-N 375.453 4.256 10 50 GICA COC(=O)c1ccc(COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)o1 1184550 PMUBOZZUHDLOOR-UHFFFAOYSA-N 394.379 4.222 10 50 GICA Oc1ccccc1CN(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 20918571 OJECQTWICQJBSV-JOCHJYFZSA-N 399.623 4.335 10 50 GICA C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 72437773 LZUCEQNHTHPPPC-IBGZPJMESA-N 393.531 4.005 10 50 GICA CCn1c(C)c(/C=C/c2nc3ccccc3c(=O)n2CCCO)c2ccccc21 4748639 KFDCNKXMNKHJBX-BUHFOSPRSA-N 387.483 4.232 10 50 GICA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(Cl)c1 4478021 DILBBKFTZHHJQS-VIZOYTHASA-N 375.858 4.475 10 50 GICA COc1cccc(O)c1CN1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 43083314 UGFWIPQZBNMRIO-CQSZACIVSA-N 399.441 4.449 10 50 GICA CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncc(Cl)n1C 160419871 VOZVTODAWSFLQD-UHFFFAOYSA-N 390.896 4.020 10 50 GICA O=C1N=C(NOCc2ccccc2)S/C1=C\c1ccccc1C(F)(F)F 1395367 OLMUDCIHIRDCAM-GDNBJRDFSA-N 378.375 4.397 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 5046892 PPMWCCMDBSXZCG-SNUQEOBHSA-N 395.311 4.467 10 50 GICA O=C1C(c2ccccc2)=S=C2c3ccccc3C(c3ccc(Cl)cc3)=NN12 334158874 UJWKSVKIKILFHI-UHFFFAOYSA-N 388.879 4.380 10 50 GICA Cc1ccccc1OCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 2964331 KMJVPAJTQUXWQB-QGOAFFKASA-N 385.510 4.284 10 50 GICA COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1OC 1139236 QREVTUQZWNXJRH-ATVHPVEESA-N 377.531 4.485 10 50 GICA CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN(CC)CC)c1O 870794 ORWZCPHFOPHWOH-UHFFFAOYSA-N 391.471 4.446 10 50 GICA O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)C12C(=O)c1ccccc1C2=O 22781087 LTUQYWGSUQFIAA-VQTJNVASSA-N 397.386 4.257 10 50 GICA O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 12428718 OMLYNLORDBMPEM-RIYZIHGNSA-N 375.858 4.444 10 50 GICA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1187862 RTEFBTCUGVJASV-HUMZTAOYSA-N 390.313 4.304 10 50 GICA O=C(c1ccccc1Cl)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 4248181 GSVQHLGWAVODTC-LJQANCHMSA-N 377.831 4.432 10 50 GICA O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623056 XJQMXYMMILBMTR-UHFFFAOYSA-N 392.846 4.153 10 50 GICA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1cccs1 100864843 WERCURNUCRJVAT-NTEUORMPSA-N 394.237 4.159 10 50 GICA COC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12)c1ccccc1 1129670 KWINLTGQDHGDQH-OAQYLSRUSA-N 390.391 4.248 10 50 GICA O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1cccs1 1182589 LCQYOZRXYQERCS-FOWTUZBSSA-N 389.933 4.194 10 50 GICA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 19595698 RNXRAHGYDSVEBT-QFIPXVFZSA-N 399.966 4.135 10 50 GICA O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccc5)CC4)ccc1c23 1063452 UOWMYRPZXRHEGU-UHFFFAOYSA-N 381.435 4.366 10 50 GICA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 12314002 IFHGWEIKJKEKSU-GOSISDBHSA-N 383.488 4.283 10 50 GICA Cc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)c1 15800698 YKDRUSYVUKNGHR-PDGQHHTCSA-N 385.510 4.250 10 50 GICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1 1192408 DVNGDWHINILQTC-HMMYKYKNSA-N 384.391 4.145 10 50 GICA Cc1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cnn1-c1ccccc1F 129741538 JLYMSFNAUGTGDI-UHFFFAOYSA-N 389.434 4.375 10 50 GICA CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5094264 CLIPLXITQIRMQX-HXUWFJFHSA-N 385.419 4.258 10 50 GICA [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 44831669 TVPIDQLSARDIPX-SFHVURJKSA-N 380.404 4.069 10 50 GICA in-vitro Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2c1 20118751 ZNUQURQFCKWHNW-PBGDOYKQSA-N 389.440 4.045 10 50 GICA CCOC(=O)CN(C)C(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1C 1875360879 LCZMRXZXEHMVDQ-UHFFFAOYSA-N 394.446 4.227 10 50 GICA [N-]=[N+]=NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 98091830 PJRFTUILPGJJIO-LJQANCHMSA-N 394.431 4.459 10 50 GICA O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1CCOc1ccccc1 1125386 VYUUUAYRMKNIQO-SILNSSARSA-N 394.496 4.402 10 50 GICA N=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC=NN12 4952344 MKKBXRHHMNSWTJ-NFFPZGGSSA-N 388.861 4.333 10 50 GICA Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(Cl)cc1 302965841 MZGFPWVDWXYKNY-UHFFFAOYSA-N 394.906 4.105 10 50 GICA O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/c1c[nH]c2ccccc12 830918 GNMYBBZJYXAFKU-LDADJPATSA-N 397.459 4.152 10 50 GICA O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccccc1OCc1ccccc1 1185327 GCCMOXLQXDQJOF-UHFFFAOYSA-N 386.403 4.448 10 50 GICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 100579740 JZVYLMUZMBGIOP-NTEUORMPSA-N 386.205 4.163 10 50 GICA CCOc1cccc(CN2CCC(CO)(CCCc3ccccc3)CC2)c1O 14971772 BUCKQLCAYHUPRP-UHFFFAOYSA-N 383.532 4.388 10 50 GICA CN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S 4725018 YECBEAARYAIMGJ-MHWRWJLKSA-N 375.902 4.467 10 50 GICA CCOc1cccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1O 12442802 KZTZVHAGELUEQL-ZDUSSCGKSA-N 387.430 4.414 10 50 GICA CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1153756 SXRXXFROOZKXJP-RNEAKCBISA-N 398.846 4.184 10 50 GICA CCc1cc2c3c(c(=O)oc2cc1OCc1cc(C(=O)O)oc1C)CCCC3 1183636 XEJWOLHPBMESOG-UHFFFAOYSA-N 382.412 4.413 10 50 GICA CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1 1196009 FXNNCXKSZWUCBN-HKWRFOASSA-N 377.440 4.353 10 50 GICA COc1ccc(O)c(CN2CCC3(CC2)C[C@@H]3C(=O)Nc2cc(C)cc(C)c2)c1 11995821 PKGPSBUSMWBQRP-OAQYLSRUSA-N 394.515 4.258 10 50 GICA COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 1163231 VEHSEFYFOMCICT-VVTMIQRTSA-N 392.411 4.029 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 823565 KVNDDXIMDJTWIC-NRFANRHFSA-N 399.535 4.427 10 50 GICA Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 1195342 GVLJFMVBPKWWMP-RIYZIHGNSA-N 391.279 4.133 10 50 GICA O=C(O)CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 2891583 RMALSOUACVTPDV-YVLHZVERSA-N 379.462 4.279 10 50 GICA CSc1ccc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 4648749 MBVCJRCTBQNYIJ-OGJKRULYSA-N 398.538 4.332 10 50 GICA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1 4845744 AGXURPNNQHNVBA-ZROIWOOFSA-N 389.238 4.222 10 50 GICA COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 1121834 VURCMCZNDPNBFA-RGEXLXHISA-N 396.443 4.158 10 50 GICA C[C@@H](NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc(N2CCOCC2)cc1 252678277 DCAIPDVOFQLIRP-KALSDKHNSA-N 385.552 4.098 10 50 GICA Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 6365838 SWBNQKLFFIRNPS-UHFFFAOYSA-N 380.395 4.206 10 50 GICA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cccc(Cl)c1 15055764 HJJFFYXHZQVDLF-SXGWCWSVSA-N 391.901 4.416 10 50 GICA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc(N(C)C)cc1 4982485 HKLWBQXDUWLMNH-WMZHIEFXSA-N 377.488 4.021 10 50 GICA COc1ccc(CC2(CO)CCN(Cc3c(O)ccc4ccccc34)CC2)cc1 12459322 YWPGXJPODSVTOO-UHFFFAOYSA-N 391.511 4.371 10 50 GICA CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 26466134 BUGHZIWCNKYWTD-ZAVUQCBESA-N 375.515 4.479 10 50 GICA CC(C)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 4819712 LYQCJVDHVNUVTM-GZTJUZNOSA-N 379.372 4.225 10 50 GICA Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)cc1C 13940055 PYQNLPOUKXSHJY-PDGQHHTCSA-N 385.510 4.250 10 50 GICA COc1ccc(N2CCN([C@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 756594 HRPCHJFRBJHTJU-MRXNPFEDSA-N 378.438 4.467 10 50 GICA O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 1176638 YBEZJYXCPQMYMB-UHFFFAOYSA-N 391.335 4.037 10 50 GICA O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 4535874 ZVNXMCBLBISSKP-UHFFFAOYSA-N 377.783 4.073 10 50 GICA biogenic,in-vitro COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)cc1 4949524 ZLAIJVDLTWZZRR-GOSISDBHSA-N 396.531 4.109 10 50 GICA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(Cc2cccc(OC)c2O)C1 12074870 ALTRZTFWFRCUKK-DEOSSOPVSA-N 397.515 4.179 10 50 GICA c1ccc(CN(C[C@@H]2CCCO2)C2CCN(c3ccc4c(c3)CCC4)CC2)nc1 1506431789 ZFKMRNQJUVEGEF-VWLOTQADSA-N 391.559 4.220 10 50 GICA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 16578753 OZECMULLWGDFGP-UHFFFAOYSA-N 388.467 4.451 10 50 GICA Oc1cc2c(cc1[C@@H](c1ccc(Br)cc1)N1CCCC1)OCO2 5763598 CNHAVYWPOCSGHE-GOSISDBHSA-N 376.250 4.069 10 50 GICA COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 1135316 XOHILQJXIAOQEX-PTNGSMBKSA-N 398.802 4.125 10 50 GICA C[C@@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cnn(C)c1 170654493 SRRNEVOMLLXHFZ-WAIKUNEKSA-N 385.467 4.288 10 50 GICA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cc1 1217461 DYZPVAKLKCOZQS-GXDHUFHOSA-N 392.502 4.117 10 50 GICA Cc1[nH]c2cc(F)ccc2c1CCNC1CCN(c2ccc3c(c2)OCO3)CC1 2325872070 GUENPMCRPHXOEZ-UHFFFAOYSA-N 395.478 4.145 10 50 GICA COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1 1207539 OLDNJBZQZBHBMS-BOPFTXTBSA-N 383.494 4.496 10 50 GICA Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1 2863929 GNDNAWNNIXBRGB-QGOAFFKASA-N 385.510 4.332 10 50 GICA CCOc1cccc(CN2CCC(C(=O)N(CC)Cc3ccccc3)CC2)c1O 4725505 JGOJMSBNEOELEG-UHFFFAOYSA-N 396.531 4.052 10 50 GICA COc1cc(Cl)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OC 15011051 KVQOHUOBBRKPHJ-CHHVJCJISA-N 395.889 4.352 10 50 GICA Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 15837811 BAFOYBQEGQIKGA-ATVHPVEESA-N 378.815 4.370 10 50 GICA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 1274603 GPINXXXCYYBGLP-SFQUDFHCSA-N 393.418 4.241 10 50 GICA CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1153758 SXRXXFROOZKXJP-HTMJNSLASA-N 398.846 4.184 10 50 GICA Cc1ccc(C)c(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)c1 15800684 GOZKIIGDHDHCCW-PDGQHHTCSA-N 385.510 4.250 10 50 GICA CSCCCN1C(=O)/C(=C/c2cc(Cl)c(F)cc2O)SC1=S 841497821 YTNPLBLZWPUXDA-SDQBBNPISA-N 377.915 4.139 10 50 GICA COc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1OC 975029 UOGYHNZZJKFFMJ-QGOAFFKASA-N 385.510 4.148 10 50 GICA O=C(c1ccccc1Cl)N1N=C(c2ccccn2)C[C@@H]1c1ccccc1O 225783156 JZKSEKITPYHBOZ-LJQANCHMSA-N 377.831 4.432 10 50 GICA Cc1ccccc1N1C(=O)C(=Cc2ccco2)C(=O)N(c2ccccc2C)C1=O 3130497 QWRRPPAIVMXYCP-UHFFFAOYSA-N 386.407 4.480 10 50 GICA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1787861 WELWPQCZZQSATG-LPPOOGIUSA-N 394.477 4.195 10 50 GICA O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1 5214660 BSTPWJXDMUABNY-RIYZIHGNSA-N 375.858 4.444 10 50 GICA CN1C(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S 1159438 ZVJAHSJSFSZFHP-YBEGLDIGSA-N 386.454 4.005 10 50 GICA O=C(O)C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 5214739 RIASEQUDAUHXIP-HEUOVEHFSA-N 387.457 4.243 10 50 GICA CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 1155392 FZRKIEXHWWUBOY-RBYWHNRPSA-N 392.455 4.147 10 50 GICA O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 1298821 ICDCQPCOQOOGEQ-LGMDPLHJSA-N 398.509 4.012 10 50 GICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)NC3CCCCC3)ccc12 4949647 ILPZEEKYZKRLGT-UHFFFAOYSA-N 395.455 4.091 10 50 GICA COc1cc2c(cc1OC)CN(Cc1cc(-c3cccnc3)ccc1O)CC2 15069855 QTYKUEWUKVPFAB-UHFFFAOYSA-N 376.456 4.030 10 50 GICA CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN(C)C)c1O 848451 YJHWRYXCENIEEY-UHFFFAOYSA-N 380.469 4.399 10 50 GICA biogenic CCC(=O)N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4844971 YACQKMUQBPGLOY-DVQDXYAYSA-N 377.400 4.129 10 50 GICA aggregator O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 8655003 KYPFHZXHBBGHQE-CESCEXQBSA-N 381.478 4.270 10 50 GICA CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(F)cc1 712603 WRSLCWOQHZGSSD-ZHZULCJRSA-N 395.430 4.492 10 50 GICA COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)cc1 637412 IZMJHNYTIKCDOH-HNNXBMFYSA-N 390.936 4.178 10 50 GICA CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2O)CC1 12300466 YAGFPYTUSJXVTH-UHFFFAOYSA-N 390.915 4.064 10 50 GICA COc1ccc(CN2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c(O)c1 15079991 DLMKCZLQNXUSMD-SFHVURJKSA-N 383.488 4.121 10 50 GICA COc1ccc(N2CCN(C(=O)c3ccc(-c4ccco4)cc3)[C@@H](C)C2)cc1 72429323 RULSFUUMQBHFMS-KRWDZBQOSA-N 376.456 4.306 10 50 GICA COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccco1 1161887 URYXXQUMUKOUJR-GDNBJRDFSA-N 377.318 4.176 10 50 GICA Cc1ccc(COc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 17172954 YAFBAJPONPQLGB-RCCKNPSSSA-N 384.435 4.035 10 50 GICA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1 13800034 VCDNQVBJWWSZOS-RIYZIHGNSA-N 393.331 4.345 10 50 GICA C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(N)cc1)OCCO3 841301661 CIOIWHAXHDLOKP-OAHLLOKOSA-N 393.487 4.461 10 50 GICA CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c(CN2CCCCC2)c1O 795543 YKBJGQYYLBBRCX-UHFFFAOYSA-N 399.516 4.061 10 50 GICA biogenic COc1cccc(O)c1CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 42926002 ZMUOYSBHZSYICV-HNNXBMFYSA-N 399.441 4.449 10 50 GICA COc1ccc(N2CC3(CN(C(=O)c4oc5cc(C)ccc5c4C)C3)C2)cc1 2356167609 VFFMRPNEXWCFKH-UHFFFAOYSA-N 376.456 4.021 10 50 GICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 101673275 LFUPVDOJTYKZBC-VCBZYWHSSA-N 394.383 4.045 10 50 GICA Oc1cc2c(cc1[C@H](c1ccc(Br)cc1)N1CCCC1)OCO2 5763586 CNHAVYWPOCSGHE-SFHVURJKSA-N 376.250 4.069 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1191359 DALKIEZOYUHVAV-YVLHZVERSA-N 385.466 4.220 10 50 GICA CCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1 4482845 GOTIOVLVZXDCFM-GXDHUFHOSA-N 375.496 4.331 10 50 GICA COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(C)=O)cc1OC 1235438 NBYYSHWZVCHIJM-HXUWFJFHSA-N 390.439 4.260 10 50 GICA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1228386 VJZKEKLLAISPQJ-DKRCXCIFSA-N 390.313 4.304 10 50 GICA CCCCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 4982557 VKLNPGXPYLSLBH-HMMYKYKNSA-N 377.444 4.362 10 50 GICA CCNC(=O)c1ccc([C@@H]2CCCN2Cc2ccc3c(c2)CCCN3C)s1 19114036 IANPLLSPYAUDSI-IBGZPJMESA-N 383.561 4.217 10 50 GICA COc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1O 20449645 QLQHCJIHPCGHGG-GOSISDBHSA-N 377.488 4.479 10 50 GICA CCc1nnc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1C 194701002 GFMWPEROSJIXKH-UHFFFAOYSA-N 381.427 4.096 10 50 GICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1 11840364 GSEQFPXRCONGOB-KRWDZBQOSA-N 383.488 4.121 10 50 GICA O=C(c1cccs1)N1N=C(c2cc([N+](=O)[O-])ccc2O)C[C@H]1c1cccs1 170614099 QNOGBLFLANFRIB-AWEZNQCLSA-N 399.453 4.415 10 50 GICA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O 5009829 XDHMKIICZWMMFX-BKUYFWCQSA-N 386.455 4.309 10 50 GICA Cc1cnc(C)c(-c2ccc(O)c(CN3CCN(c4ccccc4C)CC3)c2)n1 55072848 SEMUHJFKDRCCMW-UHFFFAOYSA-N 388.515 4.097 10 50 GICA O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccccc3)C2=O)cc1 3767559 NWOYXNUTYQGQLD-QSJINSDNSA-N 386.329 4.290 10 50 GICA O=C(c1cccs1)N1N=C(c2ccc(O)c([N+](=O)[O-])c2)C[C@@H]1c1cccs1 328597183 FHLHYRFWYNEMFF-CQSZACIVSA-N 399.453 4.415 10 50 GICA CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Br)c1 13562283 NMWBYOMOZKPTKX-YBEGLDIGSA-N 392.293 4.168 10 50 GICA Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1F 1115225 ASWUNVRRZQPQFS-MKMNVTDBSA-N 395.253 4.320 10 50 GICA CCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O 801076 BIQMEYCMAGHOEQ-IBGZPJMESA-N 398.846 4.328 10 50 GICA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1C 5101267 DDRJDCFRASNSAA-CXUHLZMHSA-N 379.372 4.027 10 50 GICA C[C@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(N(C)C)cc1 773631152 WRWWEMZKZHLYTC-MAUKXSAKSA-N 387.911 4.330 10 50 GICA Cc1cc(C(=O)N2CC(=O)Nc3ccccc3C2)c(C)n1-c1cccc(Cl)c1 1452401652 NFOWJRYWIQGNOV-UHFFFAOYSA-N 393.874 4.342 10 50 GICA CC(=O)n1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)c2ccccc21 23549769 BFIZZJPWFCPCMH-WQRHYEAKSA-N 387.395 4.117 10 50 GICA biogenic Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 5682575 ZUCSWHRESOZPRO-XNTDXEJSSA-N 388.901 4.195 10 50 GICA COCc1cc(CN[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1OC 22919911 PTYLEGBDFJNGER-OAQYLSRUSA-N 388.939 4.249 10 50 GICA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 4043733 QYXMYCPYSZBLQY-UHFFFAOYSA-N 388.379 4.221 10 50 GICA CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN(C)C)c12 862738 JNMSURVBUGTPGL-UHFFFAOYSA-N 398.528 4.415 10 50 GICA CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cccs3)C2=O)cc1 4818792 TXJGCNFEUFROKU-UVTDQMKNSA-N 394.374 4.273 10 50 GICA Oc1ccccc1CN(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 20918565 OJECQTWICQJBSV-QFIPXVFZSA-N 399.623 4.335 10 50 GICA COC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12)c1ccccc1 1129669 KWINLTGQDHGDQH-NRFANRHFSA-N 390.391 4.248 10 50 GICA COc1ccc(OCc2ccc(C)cc2)c(/C=C2\SC(=S)N(C)C2=O)c1 16212772 DGVDQPQUOGRCFI-WQRHYEAKSA-N 385.510 4.414 10 50 GICA O=C1CCCN1c1ccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)cc1 1506423440 WLIZPJJHRKTZHU-UHFFFAOYSA-N 389.543 4.061 10 50 GICA COc1cccc2cc([C@H](C)NCc3ccc(N4CCC(O)CC4)cc3)oc12 850565398 DGGQETBBJFHJPL-INIZCTEOSA-N 380.488 4.253 10 50 GICA Cc1cccc(COc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 640782 URSFPGZRYCUTMK-RCCKNPSSSA-N 384.435 4.035 10 50 GICA CNc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 4148558 FJJMTRXALHEJFS-UHFFFAOYSA-N 395.050 4.029 10 50 GICA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Cl 5023055 TZXGCUXAQIFBKP-JXAWBTAJSA-N 381.859 4.255 10 50 GICA COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1O 42915216 SAXLFVBYSWLVEW-INIZCTEOSA-N 381.451 4.310 10 50 GICA Cc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1C 334163076 KZFKWLSDVLTOHL-UNOMPAQXSA-N 381.501 4.475 10 50 GICA Cc1ccc(C2=N/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1 5023931 YBPGKMGYVPEDFP-QGOAFFKASA-N 391.427 4.238 10 50 GICA Cc1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 5009988 KZTTYWUCXPAYGZ-JCMHNJIXSA-N 384.435 4.035 10 50 GICA CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 4856018 WPSHSPOIIKVHEH-MXWRNZDTSA-N 383.260 4.118 10 50 GICA CN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 1082399 UFELWLRXGAQDGI-PFONDFGASA-N 386.885 4.092 10 50 GICA CCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 713786 SOMVMIRLNYFBQS-SFHVURJKSA-N 379.489 4.220 10 50 GICA O=C(c1cccc(F)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2777392 CHGMXFQKAXFEHA-UHFFFAOYSA-N 390.458 4.367 10 50 GICA C[C@@H]1CCCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 253429240 SPIZHCQKQXSADI-CRAIPNDOSA-N 383.517 4.006 10 50 GICA O=C1c2ccccc2C(=O)C1c1ccc(Br)c(Br)c1 100370586 MEEPVVRDEBBVDI-UHFFFAOYSA-N 380.035 4.374 10 50 GICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1 13940853 GLBPJPNVNKLWRJ-VBKFSLOCSA-N 392.798 4.266 10 50 GICA O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1186796 VKWUMDPNCSLDRS-UHFFFAOYSA-N 391.335 4.037 10 50 GICA CCOC(=O)c1c(C)nc2c(c1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1-2 2865721 BRIHCVRGMJESDK-UHFFFAOYSA-N 388.379 4.353 10 50 GICA Cc1nn(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1Br 1423477 UJPCMEZNWAKJKK-UHFFFAOYSA-N 398.264 4.151 10 50 GICA CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 13601315 SWDAURBSOYSTQD-ATVHPVEESA-N 382.510 4.356 10 50 GICA Oc1ccc(Br)cc1CN1CCN(c2ccc(Cl)cc2)CC1 55292387 YSBVGGQVFFASJR-UHFFFAOYSA-N 381.701 4.130 10 50 GICA CC(C)C(=O)N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4881501 YGEUKFRNQWHJKL-ZGKFYVQTSA-N 391.427 4.375 10 50 GICA COc1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)c(OC)cc1C=O 5022845 XVFQNIZELXPORR-UHFFFAOYSA-N 387.391 4.035 10 50 GICA CCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S 2993555 HNSVKKZJAITBMR-JXAWBTAJSA-N 385.510 4.366 10 50 GICA COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)c1 1191399 BMHSNUZXRJJCRZ-GZTJUZNOSA-N 387.482 4.118 10 50 GICA COc1ccc2c(c1)c(=O)oc1cc(OCc3cc(C(=O)O)oc3C)ccc12 5543669 ZTIBHAAOMYYBEY-UHFFFAOYSA-N 380.352 4.133 10 50 GICA CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 1155394 FZRKIEXHWWUBOY-UOEVCUDDSA-N 392.455 4.147 10 50 GICA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 1172770 SYRBIFBMFWRKTD-SFQUDFHCSA-N 390.370 4.061 10 50 GICA Cc1cccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)c1C 977984 MOUWLPPMBUVJSS-MSUUIHNZSA-N 380.494 4.056 10 50 GICA CCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 2951619 RHWSTNZSAHNRGX-SSZFMOIBSA-N 377.531 4.184 10 50 GICA COCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 5051545 ZDONDGOHJWCTTG-XNTDXEJSSA-N 379.890 4.448 10 50 GICA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1 950636 WYHBURNOHGTLDA-AQTBWJFISA-N 383.904 4.133 10 50 GICA COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1 42942795 LNZKLONKWLETRM-MRXNPFEDSA-N 381.451 4.310 10 50 GICA COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1 4505807 SPYIETQLOVDJCF-XYOKQWHBSA-N 378.456 4.071 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2 102988898 SIZWDJIHABLBSP-JUXOCIIHSA-N 376.481 4.314 10 50 GICA in-vitro Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1 8656976 UFBGVEBQOSOSLD-ATVHPVEESA-N 397.525 4.010 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1 973395 XDVZBBHKOJWUPB-ZRCAFCQKSA-N 399.535 4.283 10 50 GICA Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 661782 RRJNRIOPOQRFHS-WOJGMQOQSA-N 392.846 4.240 10 50 GICA O=C1/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)SC(=S)N1C1CCCCC1 4725031 RHMVTJMQVWSYBR-NTUHNPAUSA-N 398.893 4.488 10 50 GICA COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2 5020830 FLTXXOCJBMXERF-STQMWFEESA-N 393.505 4.023 10 50 GICA CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 6440354 RIPFQLBWDOQPNG-ATVHPVEESA-N 377.494 4.370 10 50 GICA Cc1cccc([C@@H]2CC(c3ccccc3O)=NN2S(=O)(=O)c2ccccc2)c1 252491701 LRDQDCUHFQTAJN-NRFANRHFSA-N 392.480 4.241 10 50 GICA CCN(CC)Cc1c(O)ccc2occ(C(=O)c3cc(OC)ccc3OC)c12 978438 WHARSEASBZUPRL-UHFFFAOYSA-N 383.444 4.228 10 50 GICA O=C(c1cccs1)N1N=C(c2ccc(O)c([N+](=O)[O-])c2)C[C@H]1c1cccs1 328597182 FHLHYRFWYNEMFF-AWEZNQCLSA-N 399.453 4.415 10 50 GICA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 4482839 UZRBFQJSYJIMLY-LFIBNONCSA-N 387.457 4.408 10 50 GICA COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 3129873 YVQYASUYLOROAK-UHFFFAOYSA-N 398.418 4.279 10 50 GICA O=C(NCc1ccco1)c1ccc([C@H]2CCCN2Cc2ccccc2O)s1 19795140 XBOOBTDCWWKXRD-QGZVFWFLSA-N 382.485 4.314 10 50 GICA COc1ccc(CN[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1CN1CCCC1 952971009 WQUKAISVMLYPEM-FYEYOJRKSA-N 398.591 4.100 10 50 GICA CCCN(CCC)c1ccc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 4887882 LNHRJOPZBRGQKS-FQEVSTJZSA-N 398.576 4.217 10 50 GICA COc1ccc(O)c(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 43004826 HYJFBNLNROBPFH-AWEZNQCLSA-N 399.441 4.449 10 50 GICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)nn(-c2cccc(Cl)c2)c1O 100147680 SSHZAUPXZQFYCL-LDADJPATSA-N 392.846 4.346 10 50 GICA COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1 1206282 GFEXPILUSKIBHZ-WQLSENKSSA-N 396.287 4.457 10 50 GICA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(Cl)cc3)C(=O)N=C2S1 2824292 PGYFMPHXNAERCJ-ACXWOISZSA-N 380.860 4.316 10 50 GICA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2 4894139 HVJCWEROXIZCJI-STQMWFEESA-N 393.505 4.023 10 50 GICA Cc1cc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)c(C)n1-c1ccccn1 170624984 NGFUTOHDVQVDNF-HFJQGTKSSA-N 389.499 4.480 10 50 GICA CCCOc1cc(N2CCC(O)CC2)ccc1NCCOc1ccc(F)cc1 225656324 UFKZTWBRCCZMCU-UHFFFAOYSA-N 388.483 4.067 10 50 GICA CC(=O)N1CCCc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc21 158984589 XZHITPYFTDOMCA-UHFFFAOYSA-N 388.471 4.041 10 50 GICA COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 12371416 ABMSBMIEMBTDEY-GDNBJRDFSA-N 378.475 4.137 10 50 GICA COc1cc(Cl)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O 5044473 BZIIWXBKYQKZLL-NVNXTCNLSA-N 391.901 4.456 10 50 GICA O=C1NC(=S)S/C1=C\c1ccccc1OCCOc1ccccc1Cl 15800440 LDIFIGUBUNOQOX-WJDWOHSUSA-N 391.901 4.287 10 50 GICA CN(C)c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 845945 DJGZUUGIHUCFEY-UHFFFAOYSA-N 377.536 4.200 10 50 GICA O=C(CC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O)c1ccccc1 1203730 VMBXCCAPSRBYDS-UHFFFAOYSA-N 399.402 4.476 10 50 GICA [N-]=[N+]=N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 108644409 QETYFSMTHHMLJP-IBGZPJMESA-N 394.431 4.459 10 50 GICA Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)N=C2O)cc1Cl 17056166 LNZIMGCXKYTXGF-NVNXTCNLSA-N 379.803 4.001 10 50 GICA Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O 660960 GOSRRBYYHQBNJW-KGENOOAVSA-N 393.462 4.217 10 50 GICA CC(C)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(C)C)c1O 844921 HCMUPBGDTAMZHI-UHFFFAOYSA-N 378.450 4.348 10 50 GICA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 14009200 AHOQYXFMEJIHSV-AQTBWJFISA-N 392.411 4.171 10 50 GICA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)cc1 1452711 IIDSVRMPXVCXNG-GZTJUZNOSA-N 377.494 4.337 10 50 GICA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCCC4)c23)cc1OC 217958832 CIJXGCJZIUSNEM-UHFFFAOYSA-N 395.455 4.373 10 50 GICA biogenic COc1ccc(N2CCC(N3CCCN(Cc4cccc(F)c4)CC3)CC2)cc1 952970774 LROCJCWTHYNZTN-UHFFFAOYSA-N 397.538 4.011 10 50 GICA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1 15011580 KITMBFVXUBXQIS-CXUHLZMHSA-N 391.901 4.416 10 50 GICA COc1ccc(N2C(=O)/C(=C(\C)c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1164519 JWARURZKFDQGKI-WJDWOHSUSA-N 386.454 4.399 10 50 GICA Cc1ccc(N2NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1Cl 2995018 ZGESILJGVOPOPY-AWNIVKPZSA-N 381.646 4.417 10 50 GICA COc1ccc(N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1 55070128 FDCJFPLNRCBYMT-UHFFFAOYSA-N 379.529 4.449 10 50 GICA Cc1cccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)c1 13810304 CFNRFRZKOUPBEK-GIRMVSSCSA-N 375.428 4.124 10 50 GICA COc1ccc2c(c1)N1C(=O)C(c3ccccc3)=S=C1C=C2C(F)(F)F 334158880 KKJCISCYUBBIJO-UHFFFAOYSA-N 375.371 4.085 10 50 GICA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Cl)c(C(=O)O)c1 1857524806 CGQYMRQYYWTAHV-UHFFFAOYSA-N 383.835 4.374 10 50 GICA O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 1793567 GOTSHXUIWCSXBV-NTEUORMPSA-N 393.873 4.276 10 50 GICA Cc1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)o1 32666881 DLUHYUOBZSOFLH-PYDVBCTCSA-N 382.470 4.098 10 50 GICA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 823566 KVNDDXIMDJTWIC-OAQYLSRUSA-N 399.535 4.427 10 50 GICA C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 72437774 LZUCEQNHTHPPPC-LJQANCHMSA-N 393.531 4.005 10 50 GICA COc1ccc(-c2coc3c(CN4CCCCC4)c(O)cc(C)c3c2=O)cc1 11865256 WISOSCCECFQFRB-UHFFFAOYSA-N 379.456 4.469 10 50 GICA biogenic O=[N+]([O-])c1ccc(F)cc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 1423380 ZAMPITOFNKZJNW-UHFFFAOYSA-N 380.335 4.154 10 50 GICA CCOC(=O)c1ccc2c(c1)n(CC)c(/C=C/N(C)c1ccccc1)[n+]2CC 13125120 JNPFNYVARVIJCE-UHFFFAOYSA-N 378.496 4.252 10 50 GICA Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cc(Cl)ccc1Cl 630549 FEOLWFQWKDIMJI-UHFFFAOYSA-N 396.303 4.076 10 50 GICA C[C@@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cnn(C)c1 170654490 SRRNEVOMLLXHFZ-MWTRTKDXSA-N 385.467 4.288 10 50 GICA COc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)c1O 12151384 UUQVRSSJQQTJCU-UHFFFAOYSA-N 377.488 4.479 10 50 GICA COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(OC)c1OC 13899610 XDSDRQRXHUFWJX-RVDMUPIBSA-N 393.530 4.246 10 50 GICA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C)cc1 12413427 FHONFDDCANOVNU-ZHZULCJRSA-N 377.440 4.271 10 50 GICA Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 640769 ITMLWGWTDWJSRZ-PXLXIMEGSA-N 384.435 4.035 10 50 GICA CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1 4819487 NBVRNTNHGHNDCU-MHWRWJLKSA-N 384.819 4.243 10 50 GICA CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1O 1022064 PGXLJXZUDOJATE-AQTBWJFISA-N 385.510 4.235 10 50 GICA CCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O 801077 BIQMEYCMAGHOEQ-LJQANCHMSA-N 398.846 4.328 10 50 GICA CCOc1ccc(Nc2c(C(=O)O)ccc3c2C(=O)c2ccccc2C3=O)cc1 4774663 HGCXBBDVQITVSA-UHFFFAOYSA-N 387.391 4.303 10 50 GICA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 1197323 JWTMVLFKGRIQES-MDWZMJQESA-N 391.279 4.133 10 50 GICA O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 1214387 RXVQGIXCWXKRCJ-ZROIWOOFSA-N 393.873 4.276 10 50 GICA CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 967149 SBNOYOMSRATNOV-YBEGLDIGSA-N 385.466 4.189 10 50 GICA CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(OC(C)=O)ccc2ccccc12 5060178 BSFGPTRUDGXWCX-DEOSSOPVSA-N 390.483 4.447 10 50 GICA CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S 1206754 IVAMPNUHHHYJPZ-WJDWOHSUSA-N 387.457 4.266 10 50 GICA Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 4873121 BOOSVHLICMMPFN-LDADJPATSA-N 388.379 4.051 10 50 GICA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)c1 1192815 NERHABPSESEGGO-RCCKNPSSSA-N 398.418 4.454 10 50 GICA COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 1009739 HFVUEIKFKMSDJF-BOPFTXTBSA-N 387.482 4.118 10 50 GICA COc1cccc(O)c1CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12703242 WKBAZECVZVTPGC-LJQANCHMSA-N 377.488 4.390 10 50 GICA COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1O 20913929 SAXLFVBYSWLVEW-MRXNPFEDSA-N 381.451 4.310 10 50 GICA COc1ccc(N2CCC(N(C)Cc3cc(-c4ccccc4)no3)CC2)cc1 952987369 MBOKKZLAORFADP-UHFFFAOYSA-N 377.488 4.451 10 50 GICA O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H](c2ccccc2)C12C(=O)c1ccccc1C2=O 22781074 LTUQYWGSUQFIAA-WOJBJXKFSA-N 397.386 4.257 10 50 GICA COc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1OC 22033976 NMMWTYCADDDYRZ-ZROIWOOFSA-N 387.229 4.448 10 50 GICA CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 1153038 LRGWPNFKTMCOLG-UHFFFAOYSA-N 383.300 4.093 10 50 GICA COc1ccc(N2CCN([C@H]3CCCN(CCCC4CCCC4)C3)CC2)cc1 20135824 IXJCYQJFJJOVBE-QHCPKHFHSA-N 385.596 4.252 10 50 GICA CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])SC1=S 1159865 ZIUAGVKURBSXAZ-YBEGLDIGSA-N 386.454 4.005 10 50 GICA Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 13881388 LIOZYNNHCUMXMH-RGEXLXHISA-N 380.469 4.073 10 50 GICA CCOc1ccccc1N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 55292188 NWYGMMABKHXHDX-UHFFFAOYSA-N 381.303 4.420 10 50 GICA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)c1 5757021 KNADWSZCKSJSLN-GXDHUFHOSA-N 392.502 4.117 10 50 GICA O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1 13532630 XSJZXBZJZYMUBX-XMHGGMMESA-N 397.931 4.128 10 50 GICA COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(C)c3)SC2=S)cc1 1166798 CDDCUVSYWUCNPO-WQRHYEAKSA-N 385.510 4.414 10 50 GICA COc1ccc2[nH]cc(/C=C3\C(=O)N(CCCN(C)C)c4ccc(F)cc43)c2c1 71773619 CQNOITUXWKRVMB-JAIQZWGSSA-N 393.462 4.155 10 50 GICA O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 72119236 RFSJKIZAARXWBD-UHFFFAOYSA-N 378.516 4.042 10 50 GICA O=c1c(-c2cnn(-c3ccccc3)c2)c(C(F)(F)F)oc2c(O)c(O)ccc12 5650195 MCGZAKRKICGDRS-UHFFFAOYSA-N 388.301 4.076 10 50 GICA COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN4CCCCC4)c23)c1 1061860 DIGFTJQVGUPEGD-UHFFFAOYSA-N 395.455 4.373 10 50 GICA COc1ccc(N2CCN(C(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)CC2)cc1 16361058 QQYOLLKJMLCQKI-SYQRVOMBSA-N 382.548 4.340 10 50 GICA C[C@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cnn(C)c1 170654492 SRRNEVOMLLXHFZ-QMHKHESXSA-N 385.467 4.288 10 50 GICA CCc1ccc2c(c1)c(C)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 12652682 HKLMCAWMIPEAFM-UHFFFAOYSA-N 391.515 4.020 10 50 GICA O=C(NCc1ccc(N2CCCCC2)cc1)N1CCCO[C@H](c2ccccc2)C1 2325721766 XATHHQYARUGXLN-QHCPKHFHSA-N 393.531 4.350 10 50 GICA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccc(N(C)C)cc1 1189299 XRAJTVPUBDCKED-NZQKXSOJSA-N 377.488 4.021 10 50 GICA CCc1ccc(CN2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 23374965 IUGXVXFQTKEWPQ-XMMPIXPASA-N 393.575 4.044 10 50 GICA C[C@@H]1CCCN(Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)C1 635410 LEVIEHQOTYXYMA-CQSZACIVSA-N 389.455 4.274 10 50 GICA biogenic CC(C)C(=O)N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4881502 YGEUKFRNQWHJKL-DOJUMQAQSA-N 391.427 4.375 10 50 GICA Cc1ccc(COc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 2180315 AJBJXJSYBWZTQL-PXLXIMEGSA-N 384.435 4.035 10 50 GICA Cc1cc(C)c(N/C=C2/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1 2837346 DGWRVIBFSZFGIK-WQRHYEAKSA-N 391.471 4.116 10 50 GICA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2CN1C(=O)c2ccccc2C1=O 756408 FIQUASQWBWYPAN-UHFFFAOYSA-N 376.456 4.341 10 50 GICA COc1cc(SC)ccc1C(=O)Nc1ccc(O)c(CN2CCCCC2)c1 4844687 FICJIONGHCINRS-UHFFFAOYSA-N 386.517 4.361 10 50 GICA CCNC(=O)c1ccc([C@H]2CCCN2Cc2ccc3c(c2)CCCN3C)s1 19114039 IANPLLSPYAUDSI-LJQANCHMSA-N 383.561 4.217 10 50 GICA O=C(O)c1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 2992209 IKVNTSXQKDYNES-RIYZIHGNSA-N 375.858 4.444 10 50 GICA COc1ccccc1N[C@H]1SC(=O)N(c2ccc(Br)cc2)C1=O 3145319 YJWGQLZFHOYHMK-AWEZNQCLSA-N 393.262 4.096 10 50 GICA Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(F)(F)F)c(Cl)c1 170617701 DOJKGBMNDXXRBO-UHFFFAOYSA-N 381.759 4.053 10 50 GICA COc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1Cl 1201850 FQJPAKMSVFVSIL-FOWTUZBSSA-N 394.814 4.070 10 50 GICA COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c1O 43056965 NNJCUOMIWJJKPI-AWEZNQCLSA-N 399.441 4.449 10 50 GICA C[C@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cnn(C)c1 170654488 SRRNEVOMLLXHFZ-HJPURHCSSA-N 385.467 4.288 10 50 GICA O=C(NCCO)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 15685066 CNHARWGQUHJOIU-UHFFFAOYSA-N 382.423 4.203 10 50 GICA CCCCC(=O)N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O 2488170 XUNLIRPMLDFKJY-QGZVFWFLSA-N 385.445 4.306 10 50 GICA Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 9111637 RXKHXLJPDCVYLK-VXLYETTFSA-N 392.846 4.240 10 50 GICA COc1cccc(O)c1CN1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 43083311 UGFWIPQZBNMRIO-AWEZNQCLSA-N 399.441 4.449 10 50 GICA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O 1177531 BTWRWRYLPHPOMS-OQLLNIDSSA-N 391.901 4.456 10 50 GICA CCOC(=O)C1(CCc2ccccc2)CCN(Cc2c(O)cccc2OC)CC1 13545224 ILZJYRDFLDSWFU-UHFFFAOYSA-N 397.515 4.179 10 50 GICA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1 4845919 BSSPBLQBAGHHGP-RGEXLXHISA-N 376.456 4.213 10 50 GICA CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O1 1184986 OLZHVQMFMGZISK-UHFFFAOYSA-N 385.372 4.101 10 50 GICA Cc1cccc(Nc2cc(NCCO)c3noc4c3c2C(=O)c2ccccc2-4)c1 4622667 YIZRMSAYOLAXJB-UHFFFAOYSA-N 385.423 4.495 10 50 GICA COC(=O)c1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 5018403 RXQUWKGSMVLNPZ-GDNBJRDFSA-N 385.213 4.217 10 50 GICA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S 1165181 HPYNKQQKGIJVFW-COOUDCDJSA-N 387.482 4.499 10 50 GICA COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 13617161 RXSMPYPGIJXNFX-SXGWCWSVSA-N 375.446 4.249 10 50 GICA COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1ccccc1F 16156298 NFDBWDFCWRYZNU-LICLKQGHSA-N 389.473 4.244 10 50 GICA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CN1CCCCC1 19607818 CLRRTMYFBOKORA-GXDHUFHOSA-N 397.363 4.094 10 50 GICA Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1 170636923 UEBDDKVALZHIMU-UHFFFAOYSA-N 379.407 4.499 10 50 GICA COCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 5049898 PXTKMHJAOUDVLP-XNTDXEJSSA-N 379.890 4.448 10 50 GICA COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2 5020832 FLTXXOCJBMXERF-QWHCGFSZSA-N 393.505 4.023 10 50 GICA Cc1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)s1 4841232 NMQAIFXDPKGAJD-UHFFFAOYSA-N 385.942 4.046 10 50 GICA COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Br)c1O 15018334 BMSBGXZLQDVEME-ZROIWOOFSA-N 390.258 4.224 10 50 GICA Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 4808431 MHLWBQQNEOUPDK-RVDMUPIBSA-N 388.539 4.287 10 50 GICA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 1126715 DSANRXTYZOALHS-BOPFTXTBSA-N 382.778 4.201 10 50 GICA Cc1[nH]c2ccccc2c1/C=C1/C(=O)N=C(O)N(c2ccc(C(C)C)cc2)C1=O 8767118 OGLBKKIVTXNERC-UNOMPAQXSA-N 387.439 4.471 10 50 GICA COc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccccc3C)C2)c1O 14998863 QOBNKXUNEVORAN-QGZVFWFLSA-N 377.488 4.479 10 50 GICA CCN1C(=O)/C(=C2/SC(c3ccccc3)=C3N=CC(C)=CN32)SC1=S 32659158 WVTAMPVMLAGEIP-VKAVYKQESA-N 385.539 4.399 10 50 GICA NS(=O)(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 1875387964 HDCKPEBEOKGNCH-RVPKQNPDSA-N 395.311 4.467 10 50 GICA CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 1202567 OALGZIWSNBLGKC-MNPLYOLFSA-N 394.521 4.488 10 50 GICA COc1ccc(O)c(CN2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)c1 20211931 XFGSFLREBYKFNA-SFHVURJKSA-N 377.488 4.479 10 50 GICA COc1ccc(N2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 1151342 ISZCLQFXVOLHDH-UHFFFAOYSA-N 390.936 4.180 10 50 GICA CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 4646531 PVSRNRBBONIKKJ-STQMWFEESA-N 393.505 4.022 10 50 GICA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(O)c1 42628384 XFDNDASNWQONQZ-OAHLLOKOSA-N 399.441 4.449 10 50 GICA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)C2=O)c(C)c1 1228922 CFJBYQLQTWQRMT-WOJGMQOQSA-N 387.439 4.068 10 50 GICA Cc1ccc(C2=NN3C(=N)/C(=C/c4c[nH]c5ccccc45)C(=O)N=C3S2)cc1 4656109 VHFOIDIUHRVESC-OXMFYWCOSA-N 385.452 4.144 10 50 GICA COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1 13517261 XVABAFKISUEYAR-BOPFTXTBSA-N 399.493 4.054 10 50 GICA COc1ccc(OC)c(-c2ccc(O)c(CN(C)C[C@@H](O)c3ccccc3)c2)c1 20452460 YBUHBNCQKWAIJO-HSZRJFAPSA-N 393.483 4.242 10 50 GICA CC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)cc1 1185111 KNLUPWCCHORXPO-UHFFFAOYSA-N 382.412 4.395 10 50 GICA Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1-c1ccccn1 914846330 HNCDSXCFEGAGFL-UHFFFAOYSA-N 394.906 4.105 10 50 GICA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 1099794 KRDAJFRGPQRZLS-UHFFFAOYSA-N 378.384 4.042 10 50 GICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 4646532 PVSRNRBBONIKKJ-CHWSQXEVSA-N 393.505 4.022 10 50 GICA CCCCCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 4661754 JUTYUAVUCKKILB-RELWKKBWSA-N 393.531 4.220 10 50 GICA COc1ccc(OC)c(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1 16676069 NHDDUGIJGKGJAB-ZROIWOOFSA-N 387.229 4.448 10 50 GICA CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 4646533 PVSRNRBBONIKKJ-QWHCGFSZSA-N 393.505 4.022 10 50 GICA CCCN(CCC)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 2933685 LNHRJOPZBRGQKS-HXUWFJFHSA-N 398.576 4.217 10 50 GICA O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1CCc1ccccc1 1164884 ZNARFIOUWNTDPY-WJDWOHSUSA-N 375.902 4.490 10 50 GICA O=C(O)C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 5214738 RIASEQUDAUHXIP-CCAPLTMGSA-N 387.457 4.243 10 50 GICA O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cccc2nsnc12 14257159 LCYFHKUWRWCNBI-UHFFFAOYSA-N 383.454 4.284 10 50 GICA O=C1NC(=S)S/C1=C\c1cn(CCOc2ccccc2F)c2ccccc12 12360213 YVGUMJSMPSTYOR-WQRHYEAKSA-N 398.484 4.348 10 50 GICA CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=S 16157401 BSSVEIZKSXCXDI-JQIJEIRASA-N 380.560 4.457 10 50 GICA Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c23)c(C)c1 19793996 ZUSCIHIGBPDVHI-UHFFFAOYSA-N 394.471 4.148 10 50 GICA CCCCNC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 4747577 MZZMSMYWDHWDMA-FYWRMAATSA-N 396.603 4.426 10 50 GICA COc1ccc(Br)cc1/C=C1\SC(N2CCC(C)CC2)=NC1=O 1099820 NNNNLPHBHKDLDG-GDNBJRDFSA-N 395.322 4.160 10 50 GICA COc1ccc(N2CCC(N(C)Cc3c[nH]nc3-c3ccccc3F)CC2)cc1 1875255579 SKYZVWSOQPVMPT-UHFFFAOYSA-N 394.494 4.325 10 50 GICA CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)c1 4482843 VIFJPHUXQRKZPM-GZTJUZNOSA-N 399.493 4.278 10 50 GICA Cc1cc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c(C)n1-c1cccc(F)c1 155743350 RUFLWKMYCDSBNL-UHFFFAOYSA-N 393.418 4.442 10 50 GICA O=C(c1ccccc1)c1ccc(O)c(CN2CCC=C(c3ccncc3)C2)c1O 795738472 RBKDAZCBTTXIKK-UHFFFAOYSA-N 386.451 4.013 10 50 GICA O=C(CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)N1CCCCC1 1065886 YJXALZFZFCCKSX-UHFFFAOYSA-N 381.859 4.060 10 50 GICA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1Cc1ccco1 1212755 XMPYZZHCRSHSDR-MDWZMJQESA-N 380.288 4.444 10 50 GICA Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)c2C)c1 252570773 XDHWNWWLZWEBTI-LJQANCHMSA-N 387.483 4.258 10 50 GICA COc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3C)CC2)cc1 1154110 QBGKWRCLSKANHB-UHFFFAOYSA-N 375.925 4.176 10 50 GICA N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(Cc3ccccc3)=NN12 5872037 QNLZQJSRTLHSHL-JTKJEDPUSA-N 385.452 4.030 10 50 GICA CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)SC1=S 1120121 XYSNXCPPIGWZCN-ATVHPVEESA-N 399.493 4.136 10 50 GICA COc1ccc(CNCc2cc(-c3cc(OC)ccc3OC)ccc2O)cc1 12031264 KHJVBSLDFJNPAQ-UHFFFAOYSA-N 379.456 4.375 10 50 GICA Cc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 2677393 FSQAWWSKPXVECP-QGOAFFKASA-N 385.510 4.284 10 50 GICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 4646530 PVSRNRBBONIKKJ-OLZOCXBDSA-N 393.505 4.022 10 50 GICA O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(Oc2cnccn2)cc1 174173655 HUFWXKAVBFTOLP-SFQUDFHCSA-N 380.473 4.162 10 50 GICA Cc1ccccc1N1C(=O)/C(=C\c2ccco2)C(=O)N(c2ccccc2)C1=S 4991013 YJZCWHKCABUGLM-JXAWBTAJSA-N 388.448 4.336 10 50 GICA Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1 5093706 GFLATWZBPBSKSQ-UHFFFAOYSA-N 385.419 4.096 10 50 GICA Cc1scnc1C(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 6527600 GCPGEMZXQFXZRO-QGZVFWFLSA-N 381.432 4.288 10 50 GICA Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 15857000 CGMWQQPPAKTDNZ-YBEGLDIGSA-N 379.416 4.287 10 50 GICA Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1F 14009234 ZHCBQZGWKAYBNX-NDENLUEZSA-N 389.455 4.004 10 50 GICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 220957817 RTKGIACLVCFCBN-HMMYKYKNSA-N 390.443 4.391 10 50 GICA CC(=O)Oc1ccccc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O 1092468 WNGLQIZGHDUQPT-XNTDXEJSSA-N 385.213 4.356 10 50 GICA Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 13881407 OSNVXWWJUCRCQR-ZHZULCJRSA-N 394.496 4.068 10 50 GICA COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1[N+](=O)[O-] 22108721 VHUFJRDTTLCZBX-NVNXTCNLSA-N 385.807 4.371 10 50 GICA Cc1c(CNC(=O)c2ccc(NC(=O)c3ccncc3)cc2)n(C)c2ccccc12 1875261538 RGRCZNDIIJDUBP-UHFFFAOYSA-N 398.466 4.064 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCC(C)CC2)cc1 832351 AGGOMOFLGGOOPH-ZJKHUDDUSA-N 399.535 4.283 10 50 GICA CCOC(=O)[C@@H](C)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 1165498 SJJGPPSZPUWRQA-CQSZACIVSA-N 382.412 4.107 10 50 GICA Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 4809007 WORWHWJWHQMVGU-RVDMUPIBSA-N 388.539 4.287 10 50 GICA COc1ccc(N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)cc1 55069781 OEMYVZZSAXLBMH-UHFFFAOYSA-N 379.529 4.449 10 50 GICA CN(C)c1ccc(CN2CCc3cccc(C(=O)O)c3C2)c(C(F)(F)F)c1 2325872352 TYMZMPZBDJOYQW-UHFFFAOYSA-N 378.394 4.028 10 50 GICA N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 4673649 NPEPOGQYWPUSQH-NTNBEHHGSA-N 384.823 4.147 10 50 GICA C[C@H]1CCCN(Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)C1 635406 LEVIEHQOTYXYMA-AWEZNQCLSA-N 389.455 4.274 10 50 GICA biogenic Cc1ccc(C)c(N2CCN(Cc3cc(Br)ccc3O)CC2)c1 53184655 PNXGTIMRVWTPRC-UHFFFAOYSA-N 375.310 4.094 10 50 GICA COc1ccc(N2CCC(N(C)C(=O)Nc3ccc4nc(C)oc4c3)CC2)cc1 253393691 AJEVSKWRVZTWGB-UHFFFAOYSA-N 394.475 4.278 10 50 GICA COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)c1 16225349 QNSSQENVCUDHRS-BKUYFWCQSA-N 387.439 4.200 10 50 GICA Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H](C(=O)O)CC3)c2C)c1 1875353716 DEKTXMOOJMNENY-MOPGFXCFSA-N 382.504 4.474 10 50 GICA COc1ccc(CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1OC 1191988 YLFLOGBTYQPLNN-UYRXBGFRSA-N 399.537 4.456 10 50 GICA Cn1c(-c2cc3ccc(O)c(CN4CCCCC4)c3oc2=O)nc2ccccc21 941145 ONSWFSMTLCWFGK-UHFFFAOYSA-N 389.455 4.038 10 50 GICA biogenic CCOc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)NC2=S)c1 1204522 SKYHIGTXRQCTID-XDHOZWIPSA-N 394.496 4.040 10 50 GICA CC(=O)Oc1cccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c1 1207418 GULUGDURMLAXOX-OQLLNIDSSA-N 385.213 4.356 10 50 GICA CCOc1cccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1O 12442804 KZTZVHAGELUEQL-CYBMUJFWSA-N 387.430 4.414 10 50 GICA O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 16192959 HKKRNCHCDUCMRH-PXNMLYILSA-N 389.885 4.470 10 50 GICA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 33411224 HZNVHHBVHKJAGC-IJNVVJLGSA-N 395.505 4.140 10 50 GICA Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)c2C)c1 252570772 XDHWNWWLZWEBTI-IBGZPJMESA-N 387.483 4.258 10 50 GICA Cc1ccccc1COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 640751 NSTJDALGTNIWBA-PXLXIMEGSA-N 384.435 4.035 10 50 GICA CCc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 1238385 GVGNORRYYWQZMR-SFQUDFHCSA-N 383.494 4.441 10 50 GICA CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 17836257 BSILNMPTAPLBIL-QNGOZBTKSA-N 390.487 4.196 10 50 GICA O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 967150 WUXNHXASDUBNCK-NTEUORMPSA-N 375.858 4.444 10 50 GICA CCN(CC)C[C@@H](O)CNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 5848410 UDDPPYHULIXFDV-HNNXBMFYSA-N 387.911 4.165 10 50 GICA biogenic,in-vitro COc1ccc(C2(CC(=O)Nc3ccccc3C)C(=O)c3ccccc3C2=O)cc1 4824767 GIZOWWFLWAOLEL-UHFFFAOYSA-N 399.446 4.349 10 50 GICA CN(Cc1ccccc1O)Cc1nnc(SCc2ccccc2Cl)n1C 64031746 XUHNWBCERPSTNL-UHFFFAOYSA-N 388.924 4.098 10 50 GICA CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S 220952034 JBFPJCOQHZCBSQ-BOPFTXTBSA-N 399.493 4.185 10 50 GICA O=C(O)CCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 966938 WDMNGYNXNIPQQD-XFFZJAGNSA-N 376.286 4.059 10 50 GICA Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@H](O)C(F)(F)F)CC3)c2C)c1 131401454 PAQVPXWAXDUOKZ-IBGZPJMESA-N 394.437 4.178 10 50 GICA CCCCCCn1c(=O)c(C(=O)Nc2ccc(N)cc2)c(O)c2ccccc21 170624566 KVQIDMOOMROYFK-UHFFFAOYSA-N 379.460 4.122 10 50 GICA CCCCC(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2997747 QXNREPNZBUGHLS-LJQANCHMSA-N 379.416 4.244 10 50 GICA C[C@@H]1CCCCN1Cc1c(O)ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12 639282 NADSLLVKHOWBLG-CQSZACIVSA-N 389.455 4.416 10 50 GICA COc1cccc(CN(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)c1O 12210599 ILNFSIQPUIQDRS-FQEVSTJZSA-N 382.548 4.096 10 50 GICA CCN(CC)c1ccc(/C=C2/SC(=S)N(CN3CCCCC3)C2=O)cc1 19335853 ZBHAUOMSPWHVJG-NBVRZTHBSA-N 389.590 4.177 10 50 GICA CN(C)c1ccc(-c2nc3nc4nc(-c5ccc(N(C)C)cc5)[nH]c4cc3[nH]2)cc1 1213923 ZMVVBBPBCDZWJB-UHFFFAOYSA-N 397.486 4.300 10 50 GICA O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 16156434 GSTFGOSZJSRQJA-ZROIWOOFSA-N 375.858 4.444 10 50 GICA N=C1/C(=C\c2ccco2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 4648750 ABDGPYIQRSDXEF-QYWZJITKSA-N 380.473 4.115 10 50 GICA Oc1ccc(Br)cc1CN1CCN(c2cccc(Cl)c2)CC1 23281805 AUFNFIHGFNPKOD-UHFFFAOYSA-N 381.701 4.130 10 50 GICA Cc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)C(O)=NC1=S 1306168 ZCEOQMJLITZBEP-LFIBNONCSA-N 375.453 4.158 10 50 GICA Cc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCC(=O)O)cc2[C@H]2C=CC[C@H]21 4623635 ZWIATWQRWNERTL-SVMVAKDDSA-N 376.456 4.026 10 50 GICA O=C(O)c1ccccc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 1023094 WIOGQBMJQWKHED-RIYZIHGNSA-N 375.858 4.444 10 50 GICA Cc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c(C)c1 2994605 CHHOVEDCPGMQOZ-XKZIYDEJSA-N 399.519 4.481 10 50 GICA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCC(C)CC2)cc1 832352 AGGOMOFLGGOOPH-FFYTWODTSA-N 399.535 4.283 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1908037 VDRDVBLIXMTJPY-WJDWOHSUSA-N 386.454 4.399 10 50 GICA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3F)C2)c1O 43004853 YMRMUTGUPDBWHH-AWEZNQCLSA-N 399.441 4.449 10 50 GICA CCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 13765840 AFUKVVKJRVXIIN-MSUUIHNZSA-N 386.542 4.347 10 50 GICA O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 15011857 XXIATVPAMIKIIK-RIYZIHGNSA-N 392.845 4.360 10 50 GICA CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC)C3=O)o2)cc1 12411881 AWCFLJSEWFNWDU-LFIBNONCSA-N 387.482 4.344 10 50 GICA CC(/C=C1\SC(=S)N(NC(=O)Cc2ccccc2)C1=O)=C\c1ccccc1 4858038 NHYFWCDROMNHIF-MNPLYOLFSA-N 394.521 4.108 10 50 GICA CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2ccccc2O)CC1 12591896 ZSZRYPUZXWZKQJ-UHFFFAOYSA-N 387.907 4.434 10 50 GICA COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 1227285 JQENHOIEIUZNMN-BOPFTXTBSA-N 387.482 4.118 10 50 GICA CCOC(=O)C1=C(C(=O)OCC)SC(=CC(=S)c2ccccc2)S1 5010173 YKOMNLVRCLRIDS-UHFFFAOYSA-N 380.512 4.064 10 50 GICA COc1ccc(CN[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1CN1CCCC1 952971033 WQUKAISVMLYPEM-RMIZNDGESA-N 398.591 4.100 10 50 GICA O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1 13590075 ZUVVSJROYVZGTF-FOWTUZBSSA-N 386.473 4.056 10 50 GICA CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 1206497 QRLQRDGDQZCYTB-YBEGLDIGSA-N 386.454 4.005 10 50 GICA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@@H]1c1ccc(N(C)C)cc1 4982484 HKLWBQXDUWLMNH-XXBNENTESA-N 377.488 4.021 10 50 GICA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)cc1 4949523 ZLAIJVDLTWZZRR-SFHVURJKSA-N 396.531 4.109 10 50 GICA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(O)c1 43041391 FUXJULMTFQBPME-HNNXBMFYSA-N 399.441 4.449 10 50 GICA CC(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 753614 ACJZWZACWZFBJI-LICLKQGHSA-N 384.888 4.295 10 50 GICA COc1ccc(/C(C)=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC 1164340 DDONPSOFHZDYNR-AQTBWJFISA-N 385.510 4.495 10 50 GICA COCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2678080 CXHCJSSZIIYZSI-AQTBWJFISA-N 385.510 4.113 10 50 GICA O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1Cc1ccccc1 15012018 XMMCYZATBDMDIP-LICLKQGHSA-N 379.462 4.194 10 50 GICA Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(O)=NC2=S)c1 1197512 TWWDFDFLBOOISP-SDKHNTRVSA-N 393.424 4.131 10 50 GICA Cc1c(Cl)c(O)c(Cl)c(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4284242 QQHUVHMYTHDBMH-UHFFFAOYSA-N 391.232 4.025 10 50 GICA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 16213926 TXXWNOFEIBTUHC-ATVHPVEESA-N 380.444 4.299 10 50 GICA Cc1cccc(N2CCN(Cc3cc(Br)ccc3O)CC2)c1C 53175277 ZQPDRSZLRAKKNO-UHFFFAOYSA-N 375.310 4.094 10 50 GICA COc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c(OC)c1 16676204 JGTHYMFIQBUFAQ-ZROIWOOFSA-N 387.229 4.448 10 50 GICA CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(O)c1 13892834 SJTLNPRKAVZFQV-ZDLGFXPLSA-N 399.541 4.035 10 50 GICA COc1ccc(CN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1178206 KXBPATANFRTVFZ-YBEGLDIGSA-N 386.454 4.005 10 50 GICA O=C(c1cccs1)[C@@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 1506399110 KAELKBDOIHKNMT-MRXNPFEDSA-N 398.528 4.041 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc1 666458 IUTDZODIHZVCQP-NRFANRHFSA-N 399.535 4.284 10 50 GICA COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 1163229 VEHSEFYFOMCICT-RVAQLADHSA-N 392.411 4.029 10 50 GICA O=C1/C(=C/c2c[nH]nc2-c2ccccc2)SC(=S)N1Cc1ccccc1 8575292 IHLBEDUWOOSYAK-BOPFTXTBSA-N 377.494 4.478 10 50 GICA CCc1cccc2c(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c[nH]c12 20236064 NOZJDCOYZAZIDR-YVLHZVERSA-N 377.375 4.376 10 50 GICA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1187858 RTEFBTCUGVJASV-DSDFTUOUSA-N 390.313 4.304 10 50 GICA CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C(=O)OC)cc2)C1=O 1153781 HFGOVTGAMMGJKK-SFQUDFHCSA-N 399.493 4.278 10 50 GICA Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)cc1 1208470 NCVMRNHZXFNWRB-RGEXLXHISA-N 397.931 4.441 10 50 GICA Oc1ccc(Br)cc1CN1CCN(Cc2cccc(Cl)c2)CC1 97840729 PQXCVXZEYFMBBF-UHFFFAOYSA-N 395.728 4.126 10 50 GICA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc1 666462 IUTDZODIHZVCQP-OAQYLSRUSA-N 399.535 4.284 10 50 GICA COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 1178908 TWQSEDXXYSOOLZ-YBEGLDIGSA-N 386.454 4.005 10 50 GICA COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 3129874 HGUBAJBCLCPDHB-UHFFFAOYSA-N 398.418 4.279 10 50 GICA Cn1c(/C=C2/C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O 32629546 RZFKEINVYAAVQS-HMMYKYKNSA-N 393.446 4.021 10 50 GICA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccccc1Cl 100077827 HTFSAMNOPZAWJN-MDWZMJQESA-N 375.211 4.498 10 50 GICA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 4482840 CEZHJKWSJOHWPI-SFQUDFHCSA-N 399.493 4.278 10 50 GICA Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)c(C)c1 15800224 XTBAKJWTPABJPF-PDGQHHTCSA-N 385.510 4.250 10 50 GICA CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S 1159770 IOYGDSBPGTVPRI-YBEGLDIGSA-N 386.454 4.005 10 50 GICA CC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 4615042 VKJFZQYIFLHOPH-WZBMNHFVSA-N 394.431 4.044 10 50 GICA CCOc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1CO 11753413 NLVJNBHDUOYCQG-OAHLLOKOSA-N 383.467 4.062 10 50 GICA O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1Cc1ccco1 15015233 XMPYZZHCRSHSDR-JYRVWZFOSA-N 380.288 4.444 10 50 GICA CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)C(=O)N=C2S1 22215680 NGWPCTPZWZSUQU-FGECJLSQSA-N 397.287 4.421 10 50 GICA COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 1205416 XQKHVENFBUOACR-RCCKNPSSSA-N 399.406 4.438 10 50 GICA CCOc1cc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O 13689391 GPERYIHVTLJPMH-YVLHZVERSA-N 387.482 4.205 10 50 GICA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCC1CCCCC1 15011196 URFFRLHZKVDCGO-WJDWOHSUSA-N 392.502 4.472 10 50 GICA COc1ccc(N2CCC(N(C)Cc3ncc(-c4ccccc4)cn3)CC2)cc1 2325879742 GKAHDIHWGWIFDI-UHFFFAOYSA-N 388.515 4.253 10 50 GICA COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])cc1OC 2303127 HWBLCKFDDBNRBD-NTUHNPAUSA-N 387.775 4.247 10 50 GICA CCN1C(=O)/C(=C\c2ccc(COc3ccc(OC)cc3)o2)SC1=S 4652226 RMWZYAAVOSSCFZ-MHWRWJLKSA-N 375.471 4.088 10 50 GICA COc1cccc(O)c1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 42881850 SWZLORILIDLIER-CQSZACIVSA-N 399.441 4.449 10 50 GICA CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100371535 PYVRTTHQRUCCBV-GXDHUFHOSA-N 383.389 4.022 10 50 GICA Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H](C(=O)O)CC3)c2C)c1 1875353717 DEKTXMOOJMNENY-OALUTQOASA-N 382.504 4.474 10 50 GICA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1787857 WELWPQCZZQSATG-RNIVLKNTSA-N 394.477 4.195 10 50 GICA COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1C 1130207 PIMGJVGPCPZUCC-CXUHLZMHSA-N 385.466 4.108 10 50 GICA COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc(OC)c1O 2053539712 RXRUWXQSMUJUHM-UHFFFAOYSA-N 380.444 4.242 10 50 GICA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccccc3)c2)SC1=S 1015902 AZBAROKPKWAUIF-PDGQHHTCSA-N 385.510 4.495 10 50 GICA O=S(=O)(Nc1cc(Cl)c(O)c(Br)c1)c1ccc(Cl)cc1 1234491 ABQVNCMUXWSHAJ-UHFFFAOYSA-N 397.077 4.262 10 50 GICA C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc2ccsc2c1 840761200 SYAYKFWFDLVMOH-CYBMUJFWSA-N 389.471 4.262 10 50 GICA Cc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1 4409853 JYNBEDVXQNFTOX-FMQUCBEESA-N 386.385 4.214 10 50 GICA endogenous,in-man COc1cccc(O)c1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 42926005 ZMUOYSBHZSYICV-OAHLLOKOSA-N 399.441 4.449 10 50 GICA CC(C)CC1=NN2C(=N)/C(=C/c3cccc(Br)c3)C(=O)N=C2S1 4645973 JEPBBNWFAQRTGT-PEMMUPCOSA-N 391.294 4.114 10 50 GICA COc1cc(Br)cc(CN2CCCC[C@H]2c2cccnc2)c1O 4982718 UYUPNFCBGNOAPH-INIZCTEOSA-N 377.282 4.286 10 50 GICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 13786083 GGSCOGVZVMPTFS-LGMDPLHJSA-N 388.558 4.035 10 50 GICA Cc1cc(C(=O)Nc2cccc(C[S@](C)=O)c2)c(C)n1-c1cccc(F)c1 115482667 RULQWGZMKKQEOD-HHHXNRCGSA-N 384.476 4.364 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 226850030 PPMWCCMDBSXZCG-VFVRVIDISA-N 395.311 4.467 10 50 GICA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2 4894141 HVJCWEROXIZCJI-QWHCGFSZSA-N 393.505 4.023 10 50 GICA COc1ccc([C@H](C)[C@@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 104159729 NZFYZLLMZQSARH-DOPJRALCSA-N 380.404 4.198 10 50 GICA CCCOC(=O)CCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S 5010050 BKCWGQSMSTVJBC-NTCAYCPXSA-N 379.503 4.266 10 50 GICA O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 13534168 GRAFEKNCSDWHFX-VGOFMYFVSA-N 392.845 4.360 10 50 GICA CCCCCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 5946160 FHDVQRMUQMPHBR-UHFFFAOYSA-N 382.504 4.227 10 50 GICA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1100775 CYBYWFHVVUODBV-UHFFFAOYSA-N 378.384 4.042 10 50 GICA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 15357264 GRAFEKNCSDWHFX-AUWJEWJLSA-N 392.845 4.360 10 50 GICA COC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)ccc1Cl 5578405 JLZDASWQFRPPOL-BOPFTXTBSA-N 397.862 4.462 10 50 GICA Cc1cccc(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 2966292 NABPPVBCFQKWOF-QGOAFFKASA-N 385.510 4.284 10 50 GICA Cc1ccc(C)c(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)c1 5102401 IJUGKWVRORVLHG-PDGQHHTCSA-N 385.510 4.250 10 50 GICA Cc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(O)c(CN(C)C)c32)cc1 19334535 IZJMWZVDDPBOIN-OUKQBFOZSA-N 394.475 4.147 10 50 GICA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 33861928 HZNVHHBVHKJAGC-CFRMDIOZSA-N 395.505 4.140 10 50 GICA Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](O)c2ccccc2C1 1875259840 JNBFFOQLLFVQKC-HSZRJFAPSA-N 375.468 4.411 10 50 GICA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 12651385 XAHAVUJVVYEFMA-UHFFFAOYSA-N 381.259 4.091 10 50 GICA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC1 1805184 ALIDXMLQMVWIFI-FYWRMAATSA-N 394.587 4.132 10 50 GICA CN(C)c1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100823356 MIQFSSRDWKQRJJ-GOSISDBHSA-N 396.292 4.163 10 50 GICA O=C(c1cccs1)N1N=C(c2cc([N+](=O)[O-])ccc2O)C[C@@H]1c1cccs1 170614100 QNOGBLFLANFRIB-CQSZACIVSA-N 399.453 4.415 10 50 GICA CC[C@H](Oc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5094262 CLIPLXITQIRMQX-FQEVSTJZSA-N 385.419 4.258 10 50 GICA CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 16688874 XMTFQVLEQXISRW-ATVHPVEESA-N 382.510 4.089 10 50 GICA C[C@@H]1CCCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 253429249 SPIZHCQKQXSADI-QAPCUYQASA-N 383.517 4.006 10 50 GICA COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc3c(c2)OCO3)cc1 16115322 OORURXJXWLEQAN-MOSHPQCFSA-N 398.418 4.258 10 50 GICA C[C@H]1CCCCN1Cc1c(O)ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12 639277 NADSLLVKHOWBLG-AWEZNQCLSA-N 389.455 4.416 10 50 GICA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 1189297 XRAJTVPUBDCKED-REWPJTCUSA-N 377.488 4.021 10 50 GICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 4706708 LFUPVDOJTYKZBC-KHYOSLBOSA-N 394.383 4.045 10 50 GICA CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 15010605 OLLSZFSMJRJQOZ-ZHZULCJRSA-N 394.496 4.452 10 50 GICA Cc1cc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c(C)n1-c1ccccn1 252515769 NGFUTOHDVQVDNF-BOCKYXSRSA-N 389.499 4.480 10 50 GICA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc(N(C)C)cc1 1189607 HKLWBQXDUWLMNH-AUSIDOKSSA-N 377.488 4.021 10 50 GICA CC1CCN(Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)CC1 4247247 UNPHUSNHPAVZAP-UHFFFAOYSA-N 389.455 4.274 10 50 GICA biogenic COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1165189 ZMCYPDCPBFEGED-YBEGLDIGSA-N 386.454 4.005 10 50 GICA CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1 1185285 LCERMEIBFKOZPF-UHFFFAOYSA-N 385.372 4.101 10 50 GICA CN1CCN(c2ccc(-c3nc4ccc(Br)cc4s3)cc2)CC1 13558451 CLTHVXHFUZWNAX-UHFFFAOYSA-N 388.334 4.478 10 50 GICA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1cccc(CO)c1 100505513 YITCVYJAXFYNKD-CCWVLBSLSA-N 391.456 4.177 10 50 GICA OC1CCN(c2ccc(CNCc3ccc(-c4ccncc4)cc3F)cc2)CC1 850405751 CCPKFISHOMVTOW-UHFFFAOYSA-N 391.490 4.139 10 50 GICA Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C1CCCC1 1178261 IFIJKTMEMDGCRX-UYRXBGFRSA-N 383.492 4.015 10 50 GICA O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(F)cc1 1191239 ZSMAFQYOPXXZTM-XDHOZWIPSA-N 386.382 4.389 10 50 GICA COc1cccc2cc(-c3nc(-c4ccc(-n5cccc5)cc4)no3)c(=O)oc12 1423384 ADZMSRBHVNHLDW-UHFFFAOYSA-N 385.379 4.309 10 50 GICA COc1ccc(O)c(CN2CCC3(CC2)C[C@H]3C(=O)Nc2cc(C)cc(C)c2)c1 11995822 PKGPSBUSMWBQRP-NRFANRHFSA-N 394.515 4.258 10 50 GICA Oc1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)cc2)CC1 19364014 UDBUKNAECQQGSK-UHFFFAOYSA-N 395.728 4.126 10 50 GICA COc1ccc([C@H](C)[C@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 216090163 NZFYZLLMZQSARH-VHSSKADRSA-N 380.404 4.198 10 50 GICA O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 1195257 PWQGZAKTLNCZMS-OVCLIPMQSA-N 389.433 4.005 10 50 GICA O=C(Cc1cccs1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2777259 FFFMPBMWQKSZDX-UHFFFAOYSA-N 392.524 4.218 10 50 GICA COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(C)=O)cc1OC 1235439 NBYYSHWZVCHIJM-FQEVSTJZSA-N 390.439 4.260 10 50 GICA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccc(N(C)C)cc1 4168134 XRAJTVPUBDCKED-OFNKIYASSA-N 377.488 4.021 10 50 GICA COc1ccc(C2=C/C(=C/c3ccc(OC)c(Br)c3)C(=O)O2)cc1 5061378 KFECPIWAIDEXMO-ZROIWOOFSA-N 387.229 4.448 10 50 GICA O=C(/N=N/C(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 95851259 LIEOEYTUTSDYKB-BUHFOSPRSA-N 380.826 4.452 10 50 GICA in-vitro COc1ccc(N2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)cc1 1110492 OXKDTUBFZFTOLK-UHFFFAOYSA-N 394.544 4.295 10 50 GICA O=C1N=C(O)/C(=C\c2ccsc2)C(=O)N1c1ccc(Br)cc1 1186452 GKWSBQQUIXFONZ-KPKJPENVSA-N 377.219 4.017 10 50 GICA Cn1c(SCC(=O)c2sc3ccccc3c2O)nnc1-c1ccc(O)cc1 10493039 CVMQKADDICLRGJ-UHFFFAOYSA-N 397.481 4.083 10 50 GICA Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2ccccc2O)C1 20917143 CAVSDUXJWACSPD-LJQANCHMSA-N 394.544 4.193 10 50 GICA CCN(Cc1c(O)cccc1OC)CC1CCN(CCc2ccccc2C)CC1 39393501 BNGFVOISQWDVFW-UHFFFAOYSA-N 396.575 4.486 10 50 GICA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccccc2O)CC1 12507418 FOUOFMYAOVNFBC-UHFFFAOYSA-N 383.488 4.007 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 116231746 SIZWDJIHABLBSP-SFGWALBWSA-N 376.481 4.314 10 50 GICA in-vitro O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1Cc1ccco1 1149750 GOUVAUFKIPCJFR-QPEQYQDCSA-N 396.287 4.149 10 50 GICA COc1ccc(CNC2CCN(c3cccc(C)c3)CC2)cc1Cn1cccn1 952978976 GJASHQGMPHLUDW-UHFFFAOYSA-N 390.531 4.007 10 50 GICA COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Br 1116910 DSZCNKJNSSDDBO-QPEQYQDCSA-N 386.336 4.315 10 50 GICA COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1O 43004856 YMRMUTGUPDBWHH-CQSZACIVSA-N 399.441 4.449 10 50 GICA COc1ccc(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c(OC)c1 20035514 GBKPRXXZCOTHMJ-JYRVWZFOSA-N 387.229 4.448 10 50 GICA Cc1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 1228577 LGKBJEDHJIPKLY-QJOMJCCJSA-N 399.494 4.471 10 50 GICA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)o1 4180345 JADSDZBBAYDOES-UHFFFAOYSA-N 396.196 4.070 10 50 GICA C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(N)cc1)OCCO3 841301660 CIOIWHAXHDLOKP-HNNXBMFYSA-N 393.487 4.461 10 50 GICA CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCCCC2)c1 170636744 YWRJLYCXIORTIF-UHFFFAOYSA-N 382.464 4.294 10 50 GICA Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1-c1cc(Cl)ccc1Cl 6429141 WDSNQBCRHBTWNE-UHFFFAOYSA-N 381.288 4.494 10 50 GICA COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)SC2=S)cc1Cl 1136120 WPEAENNEPGJZMJ-GHXNOFRVSA-N 396.833 4.256 10 50 GICA O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1c1cccc(Cl)c1 4950719 DIHOJKWBBJKSMF-GZTJUZNOSA-N 385.826 4.177 10 50 GICA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1 13942170 LBLVDHSUBILSEQ-PDGQHHTCSA-N 385.510 4.495 10 50 GICA Oc1c(Br)cc(Br)cc1CN1CCc2ccccc2C1 19633047 IVDNOHKQPGIADN-UHFFFAOYSA-N 397.110 4.476 10 50 GICA COc1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3C)CC2)cc1 1154593 YPONJYRBLZPRBX-UHFFFAOYSA-N 375.925 4.176 10 50 GICA CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 4618373 LAVSXSFRLVRMBK-OXMFYWCOSA-N 395.463 4.262 10 50 GICA COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1Cl 4656215 NSQYQBURWXNXJV-UHFFFAOYSA-N 391.810 4.376 10 50 GICA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC 15009725 BJOVCHVKLQSUIO-LDADJPATSA-N 385.510 4.495 10 50 GICA COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)c1 20211929 XFGSFLREBYKFNA-GOSISDBHSA-N 377.488 4.479 10 50 GICA O=C(O)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1857666837 GSTFGOSZJSRQJA-UHFFFAOYSA-N 375.858 4.444 10 50 GICA CCN1CCN(c2ccc([C@H](C)NCc3cccc(C(F)F)n3)cc2F)CC1 2325792181 JGHNTJAQZLAISH-HNNXBMFYSA-N 392.469 4.151 10 50 GICA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 670303 CFESEDJADQPQAE-UHFFFAOYSA-N 384.295 4.253 10 50 GICA O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 3639861 RXVQGIXCWXKRCJ-NTEUORMPSA-N 393.873 4.276 10 50 GICA CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O)=C\c1ccccc1 4471239 DDRQSAAJQGSWHN-PZAFVPBJSA-N 380.494 4.179 10 50 GICA COc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1Cl 15010886 MFMYYDAOWZPYRQ-NVNXTCNLSA-N 376.890 4.145 10 50 GICA Cc1ccc(N2C(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(O)=NC2=S)cc1 15659338 PSOVYKIZEVMZQQ-ZGCWVLQWSA-N 393.424 4.131 10 50 GICA N=C1/C(=C/c2cccs2)C(=O)N=C2SN=C(SCc3ccccc3)N12 4872545 CJXXFYAGYYIVCZ-KXXGJRMMSA-N 384.511 4.258 10 50 GICA COc1cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc(OC)c1OC 4623244 UHNQTVOAYPLSOF-UHFFFAOYSA-N 377.400 4.220 10 50 GICA CCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 2672855 LSPWWMCSLIMHMK-ZCXUNETKSA-N 394.521 4.215 10 50 GICA Cn1c(=O)cc2c3c(c(Nc4ccc(C=O)cc4)ccc31)C(=O)c1ccccc1-2 1065061 LCDWLCLQYOYJDI-UHFFFAOYSA-N 380.403 4.306 10 50 GICA CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 1153192 GXMZDTZWIGKZBI-UHFFFAOYSA-N 383.300 4.093 10 50 GICA CCOC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1215311 HISPKQONUBVGML-GHXNOFRVSA-N 390.313 4.148 10 50 GICA CCCCC(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2997746 QXNREPNZBUGHLS-IBGZPJMESA-N 379.416 4.244 10 50 GICA CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 1137691 AJSKVOQZUIEBAV-UHFFFAOYSA-N 393.439 4.347 10 50 GICA COc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 1116427 FTXDSEBFEWASFC-UHFFFAOYSA-N 379.382 4.068 10 50 GICA CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 16729781 BMSOTRLUIAMTFU-ZCXUNETKSA-N 394.521 4.133 10 50 GICA CCCCC1(CC(=O)OCC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2491618 OAUJJXRNUVURPJ-UHFFFAOYSA-N 394.471 4.111 10 50 GICA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1O 20449647 QLQHCJIHPCGHGG-SFHVURJKSA-N 377.488 4.479 10 50 GICA Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 980461 CTUINCMDGQEBGP-VQHVLOKHSA-N 397.308 4.195 10 50 GICA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1ccc(N(C)C)cc1 4168132 XRAJTVPUBDCKED-NFBKMPQASA-N 377.488 4.021 10 50 GICA CCCCOC(=O)COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1797524 SJNNLMPEBTWTSV-UHFFFAOYSA-N 397.383 4.090 10 50 GICA COc1ccccc1[C@H](NC(=O)C(C)C)c1cc(Cl)c2cccnc2c1O 801082 AIHIZRKOSJIJRP-SFHVURJKSA-N 384.863 4.464 10 50 GICA Cc1ccccc1NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 1228596 XGNXWRXOJRTMMV-QJOMJCCJSA-N 399.494 4.471 10 50 GICA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1Cc1ccccc1 1205307 KTPRLFBKAXPEGL-WQLSENKSSA-N 380.288 4.444 10 50 GICA CN1CCc2cc(CNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)ccc21 170598770 OHQXRWOUUZYXOK-UHFFFAOYSA-N 385.393 4.162 10 50 GICA CCn1cc(Br)c(C(=O)Nc2ccccc2/[N+](O)=N\C(C)(C)C)n1 225429006 YJYTXGJSWSTELW-UHFFFAOYSA-O 395.281 4.202 10 50 GICA O=S1(=O)N=C(N(Cc2ccccc2O)c2ccc(Cl)cc2)c2ccccc21 1142428 CZVJDJNGXBOBKM-UHFFFAOYSA-N 398.871 4.201 10 50 GICA COc1cccc(C(=O)COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)c1 2993483 HWFYJJPEBRXWCT-UHFFFAOYSA-N 390.391 4.225 10 50 GICA O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5093086 SSBPJGZWVQKHEG-UHFFFAOYSA-N 391.810 4.133 10 50 GICA Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)c(C)c1 5102362 GSIOIGSRJHYNSY-PDGQHHTCSA-N 385.510 4.250 10 50 GICA Cc1ccc(-n2c(C)cc(/C=C/[N+](=O)[O-])c2C)cc1I 686467 ZJVJDJQJGNSSGN-VOTSOKGWSA-N 382.201 4.255 10 50 GICA COC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 4482659 INJHLKDASFFZKL-GHRIWEEISA-N 399.493 4.243 10 50 GICA COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 1116363 QSDJWEANOIONMC-UHFFFAOYSA-N 380.275 4.356 10 50 GICA Cc1cc(Cl)ccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 2833654 GKKBSDVFHBWLHX-VGOFMYFVSA-N 393.873 4.194 10 50 GICA Cn1c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nnc1C1CC1 130617829 UMJUHTFINBPMDR-KRWDZBQOSA-N 395.532 4.027 10 50 GICA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 2325879686 DGRCDUDDKYADMA-FQEVSTJZSA-N 390.531 4.467 10 50 GICA COc1ccc(OC)c(C2=C/C(=C/c3ccc(Br)cc3)C(=O)O2)c1 1196631 KDSKNAJJQNKKLT-LCYFTJDESA-N 387.229 4.448 10 50 GICA Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 4702383 UDLFNRJYXKFBGE-LDADJPATSA-N 388.379 4.051 10 50 GICA O=C1N=C(O)/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 4819770 AOTOFOIOGBGRBP-LDADJPATSA-N 387.351 4.255 10 50 GICA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 5043700 INBDLUHIBKOHGU-QNGOZBTKSA-N 398.418 4.454 10 50 GICA O=C1/C(=C/c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1ccc(Cl)cc1 1817240 MCOMUILIYNUSSF-OQLLNIDSSA-N 381.844 4.493 10 50 GICA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N(C)C 4844590 YQSDVQWHPZSBOP-YVLHZVERSA-N 398.850 4.429 10 50 GICA Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)c(C)c1 15800638 DPRNNBCQTPMXHO-PDGQHHTCSA-N 385.510 4.250 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 759225 SIZWDJIHABLBSP-ZWCUEREDSA-N 376.481 4.314 10 50 GICA in-vitro Cc1ccccc1COc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 640778 IXJATWTYUVZKHX-RCCKNPSSSA-N 384.435 4.035 10 50 GICA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)s1 1185862 QHYLWTQEGFQCJN-JXMROGBWSA-N 397.308 4.195 10 50 GICA O=C(Nc1cccc(Cl)c1)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 5044411 INRNBWXGWDSWCF-UHFFFAOYSA-N 377.783 4.073 10 50 GICA COc1ccc(N2CCC(N(C)C(=O)Nc3ccc4oc(C)nc4c3)CC2)cc1 225480618 HZVJACMLLZGGPN-UHFFFAOYSA-N 394.475 4.278 10 50 GICA Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O 753595 JIQHKLJHKLXFCR-MDWZMJQESA-N 391.279 4.133 10 50 GICA O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2240009 YZLFZFALAZYTCI-ZROIWOOFSA-N 393.873 4.276 10 50 GICA in-vivo COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1 11840362 GSEQFPXRCONGOB-QGZVFWFLSA-N 383.488 4.121 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1 1210901 QKJFOAXMFSJFSO-WJDWOHSUSA-N 385.466 4.189 10 50 GICA COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O 2299893 SLUHQMGBSLUJRV-NTUHNPAUSA-N 387.775 4.247 10 50 GICA COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(OC)c1C 15011045 BKKSPEYAYNXEQU-DHDCSXOGSA-N 375.471 4.007 10 50 GICA COc1ccc2c(c1)c(=O)oc1cc(O[C@@H](C(=O)O)c3ccccc3)ccc12 950418 OBHGHDWVKOICLK-HXUWFJFHSA-N 376.364 4.160 10 50 GICA biogenic Cc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)NC1=O 2874250 UZTSRQNUCNYNDK-QGOAFFKASA-N 385.510 4.332 10 50 GICA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc12 19885028 NKUYCEZLNMRXCW-UHFFFAOYSA-N 379.334 4.371 10 50 GICA COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc2c1OCO2 169986785 HCHAQSKWGSQZFI-RQZCQDPDSA-N 382.441 4.123 10 50 GICA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(C(F)(F)F)c1 1213623 DESHGQABWYRKIV-NTEUORMPSA-N 394.736 4.025 10 50 GICA Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c(O)c1Cl 4284246 LLVDCVMQWBJGBB-UHFFFAOYSA-N 384.841 4.186 10 50 GICA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1Cl 4471912 NUCBOBSZGXPYCM-ATVHPVEESA-N 378.815 4.370 10 50 GICA O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1Nc1ccccc1 15659163 LNZKLEHSEMFLGJ-YUDPATCQSA-N 383.454 4.379 10 50 GICA COc1cccc(O)c1CN1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 43071650 USFDIEFKOZMNLZ-AWEZNQCLSA-N 399.441 4.449 10 50 GICA CCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100398867 SUXDDDFTKQAJDT-JXAWBTAJSA-N 376.485 4.321 10 50 GICA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1F 12416519 NOOGINDOZXJFSG-LICLKQGHSA-N 389.473 4.244 10 50 GICA COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1 950422 WXULETIITIAMME-UHFFFAOYSA-N 390.391 4.320 10 50 GICA biogenic COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1 1184575 WRNALSODQOYUMC-UHFFFAOYSA-N 390.391 4.225 10 50 GICA biogenic COc1ccccc1[C@@H](NC(=O)C(C)C)c1cc(Cl)c2cccnc2c1O 801083 AIHIZRKOSJIJRP-GOSISDBHSA-N 384.863 4.464 10 50 GICA COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(C)c1 2833033 OVYSMZIDFCVSTM-MHWRWJLKSA-N 385.466 4.108 10 50 GICA COc1ccc(C(=O)N(C)CCC=C2c3ccccc3CCc3ccccc32)nn1 155749036 YYPBTDXKIJKGQS-UHFFFAOYSA-N 399.494 4.178 10 50 GICA CCc1cc(=O)oc2cc(C)c(C3=NN[C@@H](c4ccc(Cl)cc4)C3)c(O)c12 2084329500 UWGQGZGEAZLJMQ-OAHLLOKOSA-N 382.847 4.462 10 50 GICA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)c1 5048540 WAPKRRXCKDRCFX-UHFFFAOYSA-N 397.623 4.061 10 50 GICA O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)c(O)c1 1218300 UDNPQZBJXPYUMM-QPEQYQDCSA-N 381.240 4.487 10 50 GICA O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1452717 ZQYBBLCXKLDTNY-MHWRWJLKSA-N 381.457 4.167 10 50 GICA COc1ccc(/C=C2\SC(=S)NC2=O)cc1COc1ccc(F)cc1F 13882303 HZUBJZJUTLPSPC-APSNUPSMSA-N 393.436 4.041 10 50 GICA COc1ccc(N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(OC)c1 752112042 NIXIDHZWBXTJTM-UHFFFAOYSA-N 397.500 4.211 10 50 GICA CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 15837392 SOSZBLSAQGKWRC-PDGQHHTCSA-N 385.510 4.495 10 50 GICA COc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3cc(F)ccc3F)C2)c1O 43056967 NNJCUOMIWJJKPI-CQSZACIVSA-N 399.441 4.449 10 50 GICA O=C1N=C(O)/C(=C\c2ccsc2)C(=O)N1c1cccc(Br)c1 1180496 RJGKMSIQAPIBBF-WUXMJOGZSA-N 377.219 4.017 10 50 GICA Cc1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 2852044 LVTNFRBFFDRXAT-QGOAFFKASA-N 385.510 4.332 10 50 GICA COc1ccc(OC)c(-c2ccc(O)c(CN(C)C[C@H](O)c3ccccc3)c2)c1 20452462 YBUHBNCQKWAIJO-QHCPKHFHSA-N 393.483 4.242 10 50 GICA CCOc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1O 13897035 FBZFCLRJQPAHSV-LGMDPLHJSA-N 385.510 4.235 10 50 GICA Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)c2C)c1 131401656 PAQVPXWAXDUOKZ-LJQANCHMSA-N 394.437 4.178 10 50 GICA CCN(CC)Cc1c(O)ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 1237921 PTBANNQSVDBNAL-UHFFFAOYSA-N 383.444 4.025 10 50 GICA biogenic COc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 6441524 WDCDYRSTRVYAMV-ODLFYWEKSA-N 395.505 4.415 10 50 GICA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1Cl 15722694 CTSGMXFJPLDAQL-CHHVJCJISA-N 389.820 4.345 10 50 GICA O=C(c1cccs1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2777333 CNUUYFHCMJPWAS-UHFFFAOYSA-N 378.497 4.290 10 50 GICA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 173199864 HWXXXPZDTIPRQT-UHFFFAOYSA-N 379.485 4.224 10 50 GICA C/C(NCC(C)C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 1202355 HEUVFZNZPAUBBA-JLHYYAGUSA-N 382.411 4.081 10 50 GICA COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])s3)SC2=S)cc1 2185121 SPYIETQLOVDJCF-WQLSENKSSA-N 378.456 4.071 10 50 GICA in-vitro CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(Cl)cc1 12412842 CLENGMKMLVCCJA-ZSOIEALJSA-N 375.211 4.498 10 50 GICA COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(OC)c1 13602635 IKGQINYJMILHKA-PXNMLYILSA-N 375.446 4.249 10 50 GICA CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1 1121997 YYOSLYNLDCAARF-YVLHZVERSA-N 386.860 4.025 10 50 GICA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccccc3C)C2)c1O 14998866 QOBNKXUNEVORAN-KRWDZBQOSA-N 377.488 4.479 10 50 GICA O=[N+]([O-])c1ccc(O)c(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19323981 REGPZYVFGNBWRU-UHFFFAOYSA-N 389.455 4.317 10 50 GICA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(C)o3)C(=O)N=C2S1)c1ccccc1 3890278 ZBEXTMSXAZHTAM-FHJDQAINSA-N 378.457 4.401 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H](C)C2)cc1 13551158 XDVZBBHKOJWUPB-VMRPVKRXSA-N 399.535 4.283 10 50 GICA C[C@H]1CCCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 253429253 SPIZHCQKQXSADI-YJBOKZPZSA-N 383.517 4.006 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1 823505 XDVZBBHKOJWUPB-DLVCFXQMSA-N 399.535 4.283 10 50 GICA COc1cccc(CN(C)C[C@H]2CCCN(CCc3ccccc3C)C2)c1O 12210602 ILNFSIQPUIQDRS-HXUWFJFHSA-N 382.548 4.096 10 50 GICA COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(OC)c1 13769685 NZXKAVOIBFIONA-PDGQHHTCSA-N 385.510 4.148 10 50 GICA Oc1ccccc1CN(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12308300 KHIQJXOQEZHDAZ-UHFFFAOYSA-N 379.548 4.444 10 50 GICA COc1ccccc1-n1c(C)cc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c1C 170613546 WWWPMXSHPMVFQG-CTNGQTDRSA-N 395.547 4.097 10 50 GICA O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5093227 BFJLNNLAOJVZGM-UHFFFAOYSA-N 375.811 4.297 10 50 GICA COc1cc2c(cc1/C=C1\SC(=S)N(CCC3CCCC3)C1=O)OCO2 1133689 ULCPBJAVKBPFAV-MFOYZWKCSA-N 391.514 4.205 10 50 GICA Cn1cc(/C=C2/C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)c2ccccc21 1244331 ZQUFHMKGEVUVRS-AQTBWJFISA-N 393.512 4.107 10 50 GICA CC(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O 2883559 KDRMLWPXAPLFRO-UHFFFAOYSA-N 378.450 4.348 10 50 GICA Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1 218117488 JYORXJOTXPFKMG-XZOQPEGZSA-N 379.548 4.148 10 50 GICA biogenic Cc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCC(=O)O)cc2[C@@H]2C=CC[C@H]21 14944369 ZWIATWQRWNERTL-HMFYCAOWSA-N 376.456 4.026 10 50 GICA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(O)c1 42628383 XFDNDASNWQONQZ-HNNXBMFYSA-N 399.441 4.449 10 50 GICA COc1ccc([C@@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1OC 801021 PHCZZCIRGOHMGT-OAQYLSRUSA-N 394.471 4.209 10 50 GICA Cc1ccc(C)n1-c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 4620944 IUYOZJFUVHZLTQ-UHFFFAOYSA-N 376.460 4.329 10 50 GICA Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cccc3ccccc23)C1=O 1174195 UQILXKCQPYZRJX-WOJGMQOQSA-N 390.826 4.468 10 50 GICA CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 5112129 UDUYEDKGNFBLKO-LDADJPATSA-N 385.510 4.495 10 50 GICA COc1ccc2c(c1)c(=O)oc1cc(O[C@H](C(=O)O)c3ccccc3)ccc12 950417 OBHGHDWVKOICLK-FQEVSTJZSA-N 376.364 4.160 10 50 GICA biogenic CCOc1ccc2nc(NCc3ccc(N4CCN(C)CC4)cc3)sc2c1 32587222 SPPAKOHOIYOMJO-UHFFFAOYSA-N 382.533 4.059 10 50 GICA COC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)c2c1N 1125848 FEPAFNQGKIYLPJ-UHFFFAOYSA-N 396.346 4.080 10 50 GICA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)NC1=S 4845883 MFJQHGAYLYHSGM-PXNMLYILSA-N 394.327 4.478 10 50 GICA CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 15010819 IOUDFHHMFBYFIA-PDGQHHTCSA-N 383.542 4.329 10 50 GICA Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 13880853 VCYFLFRKUADARP-RGEXLXHISA-N 396.537 4.237 10 50 GICA Cc1scnc1C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 6527598 GCPGEMZXQFXZRO-KRWDZBQOSA-N 381.432 4.288 10 50 GICA CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1cc(Br)ccc1O 23279672 GHJLYYGYFMHRER-LJQANCHMSA-N 385.261 4.130 10 50 GICA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN(C)C)c(O)ccc2c1=O 19790365 FEEBAKPAZARPPP-UHFFFAOYSA-N 393.361 4.255 10 50 GICA biogenic Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCC(O)CC1 71767097 STGDFFSIFZPUNU-UHFFFAOYSA-N 383.879 4.294 10 50 GICA CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 71384823 MIMCEXWBANAVQY-OAHLLOKOSA-N 376.547 4.048 10 50 GICA CCCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 3879092 FOTIZOCKJLIVLE-LJQANCHMSA-N 389.565 4.059 10 50 GICA CCOc1cccc(CN2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)c1O 12573243 SCXFMSMUQOAPRB-OAHLLOKOSA-N 387.451 4.034 10 50 GICA Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2ccccc2O)C1 20917149 CAVSDUXJWACSPD-IBGZPJMESA-N 394.544 4.193 10 50 GICA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 2325879687 DGRCDUDDKYADMA-HXUWFJFHSA-N 390.531 4.467 10 50 GICA CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C)c1C 100508127 ZEYJXAGLQQJIFN-LFIBNONCSA-N 383.473 4.260 10 50 GICA Cc1cnccc1N1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 952981912 NAFIKLCPWPRNDR-UHFFFAOYSA-N 388.515 4.150 10 50 GICA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 1160816 IDMCZZZCOREYOX-BOPFTXTBSA-N 398.802 4.125 10 50 GICA C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCCCC2)cc1 44854840 HLFUTKHNOXZBJE-IBGZPJMESA-N 388.515 4.413 10 50 GICA O=C(NCc1ccc(N2CCCCC2)cc1)N1CCCO[C@@H](c2ccccc2)C1 2325721765 XATHHQYARUGXLN-HSZRJFAPSA-N 393.531 4.350 10 50 GICA COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)c1 43004829 HYJFBNLNROBPFH-CQSZACIVSA-N 399.441 4.449 10 50 GICA CCc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 1146520 MSWSLFOOTAZZBD-STZFKDTASA-N 391.467 4.130 10 50 GICA Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1228561 GIZBSWFTSFEYTP-UYRXBGFRSA-N 395.418 4.296 10 50 GICA CC1(C)CC(=O)c2cc(CC(=O)O)n(-c3ccc(Br)cc3)c2C1 9423202 YQBBCGMDWLBNSO-UHFFFAOYSA-N 376.250 4.022 10 50 GICA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC1CC(C)(C)NC(C)(C)C1 18022963 AVWPQTBOJXAZEE-JXAWBTAJSA-N 386.515 4.111 10 50 GICA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)coc23)C[C@H](C)O1 19791818 DWAXRXHFYJTINV-KBPBESRZSA-N 399.874 4.428 10 50 GICA biogenic COc1ccc(N2CCN([C@@H]3CCCN(CCCC4CCCC4)C3)CC2)cc1 20135820 IXJCYQJFJJOVBE-HSZRJFAPSA-N 385.596 4.252 10 50 GICA Nc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 34633556 WZRFRMWIFXULOV-UHFFFAOYSA-N 379.454 4.459 10 50 GICA in-vitro CC(=S)/C=C1\Sc2ccc3ccccc3c2N1CCCS(=O)(=O)O 2895872 WPGRLPXLXZVETC-WJDWOHSUSA-N 379.528 4.261 10 50 GICA COc1cccc(O)c1CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 42881846 SWZLORILIDLIER-AWEZNQCLSA-N 399.441 4.449 10 50 GICA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(NC(C)=O)cc2)cc1 920210 BAQUFCDVMFAIHD-UHFFFAOYSA-N 378.428 4.129 10 50 GICA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cc(Br)ccc1O 23279669 GHJLYYGYFMHRER-IBGZPJMESA-N 385.261 4.130 10 50 GICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1Cl 1173324 BAADAOZSMWCDRX-WOJGMQOQSA-N 390.826 4.468 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc1 706364 XBHGAIGVEQYRLJ-FQEVSTJZSA-N 385.508 4.037 10 50 GICA O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccccc2)C12C(=O)c1ccccc1C2=O 22781066 LTUQYWGSUQFIAA-UXHICEINSA-N 397.386 4.257 10 50 GICA O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCCOc1ccccc1 13896384 KMQCZHLUSZYZJF-WJDWOHSUSA-N 391.901 4.287 10 50 GICA C[C@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(N(C)C)cc1 773631154 WRWWEMZKZHLYTC-YJBOKZPZSA-N 387.911 4.330 10 50 GICA CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 4472315 WEKTVFGVLZQPRS-RIYZIHGNSA-N 377.805 4.354 10 50 GICA O=C1N=C(NC(=O)c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccccc1 1183970 VFQBPNPRYTYELO-RIYZIHGNSA-N 377.252 4.394 10 50 GICA CC(C)(C)c1cc(CN2CCN(c3ncccn3)CC2)c(O)c(C(C)(C)C)c1 23281897 XZXTVCDPQAJTTG-UHFFFAOYSA-N 382.552 4.099 10 50 GICA CN(C)CCNc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c2ccccc12 96026695 COBNJRRHLOSWNS-GHVJWSGMSA-N 398.488 4.475 10 50 GICA N=C1S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1c1nccs1 4573256 OOGTVZNCVOYMHJ-IBEXDWOESA-N 397.437 4.157 10 50 GICA COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c1C 170613545 WWWPMXSHPMVFQG-FPOVZHCZSA-N 395.547 4.097 10 50 GICA COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 1135728 QRGKEIFXCWMQCA-XNTDXEJSSA-N 378.475 4.137 10 50 GICA COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2 2737405 FLTXXOCJBMXERF-OLZOCXBDSA-N 393.505 4.023 10 50 GICA Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728028144 ANQNNAJNHIZYNO-UHFFFAOYSA-N 399.491 4.384 10 50 GICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1O 5613830 QCZTWWWVGUVTHN-UYRXBGFRSA-N 386.455 4.309 10 50 GICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)cc1C 1176744 STRDKDDYRAXQEU-RIYZIHGNSA-N 389.238 4.277 10 50 GICA COc1ccc(-c2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 19883261 ZHUNWJGAXFGKTA-UHFFFAOYSA-N 393.361 4.255 10 50 GICA CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(O)=NC1=S 8767810 ZQFKFRPGXMFQOJ-DTQAZKPQSA-N 395.484 4.114 10 50 GICA Cc1cccc(C)c1OCCOc1cccc(/C=C2\SC(=S)NC2=O)c1 15800409 RDRISQMVVMJHAH-ATVHPVEESA-N 385.510 4.250 10 50 GICA COc1ccccc1[C@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O 4903387 HLYAFBMYQJXBDZ-DEOSSOPVSA-N 398.462 4.397 10 50 GICA COC(=O)c1sc2cc(NC(=S)NCc3ccccn3)ccc2c1Cl 1117833 XXUBXWLGRIOOEL-UHFFFAOYSA-N 391.905 4.223 10 50 GICA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccc(F)cc3)ccc12 1184348 VLRMFZWSMYUFTJ-UHFFFAOYSA-N 378.355 4.356 10 50 GICA Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c2ccccc21 4949576 XSIXUFYZBKUGOC-FZOVEGBXSA-N 399.479 4.247 10 50 GICA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 1182119 QCKQQHYYEBAKRL-WOJGMQOQSA-N 385.510 4.414 10 50 GICA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1 5093478 AWAMZZVDPOTHNZ-NTCAYCPXSA-N 388.539 4.368 10 50 GICA Cc1ccccc1COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 640763 LUGMQDAPADGPMR-PXLXIMEGSA-N 384.435 4.035 10 50 GICA Cc1cccc2c1NC(=O)/C2=C1\SC(N(C)c2ccc(Cl)cc2)=NC1=O 101017280 VETCGCKWMNHOOF-PEZBUJJGSA-N 383.860 4.077 10 50 GICA C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCCCC2)cc1 44854842 HLFUTKHNOXZBJE-LJQANCHMSA-N 388.515 4.413 10 50 GICA COc1ccc([C@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1OC 801020 PHCZZCIRGOHMGT-NRFANRHFSA-N 394.471 4.209 10 50 GICA O=C1CCCN1c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1024473 KSIXYPRIQFCIHB-UHFFFAOYSA-N 396.446 4.200 10 50 GICA Oc1ccc(Br)cc1CN1CCN(Cc2ccccc2Cl)CC1 19361434 MKNKFDYIKXREQP-UHFFFAOYSA-N 395.728 4.126 10 50 GICA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S 1165183 HPYNKQQKGIJVFW-IEMQHYRPSA-N 387.482 4.499 10 50 GICA O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 1217462 DYZPVAKLKCOZQS-UVTDQMKNSA-N 392.502 4.117 10 50 GICA COc1cccc(O)c1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12703247 WKBAZECVZVTPGC-IBGZPJMESA-N 377.488 4.390 10 50 GICA CCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O 59830630 SQTJIBYSLXPHIU-UHFFFAOYSA-N 380.410 4.132 10 50 GICA Cc1cc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)ccc1Br 1149274 FAYFNRARWGTSMD-UHFFFAOYSA-N 393.350 4.173 10 50 GICA COc1ccc(C2=C/C(=C/c3ccc(Br)cc3)C(=O)O2)c(OC)c1 1196229 MIXLKWMBXHBMGR-LCYFTJDESA-N 387.229 4.448 10 50 GICA CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(OC(C)=O)ccc2ccccc12 5060183 BSFGPTRUDGXWCX-XMMPIXPASA-N 390.483 4.447 10 50 GICA COc1ccc(CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1OC 4892292 MHWLAZWOXRJLAF-LFIBNONCSA-N 391.539 4.209 10 50 GICA COc1cc([N+](=O)[O-])ccc1N/N=N/c1ccccc1I 4951269 KADFLKNUPOKHTH-UHFFFAOYSA-N 398.160 4.319 10 50 GICA CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1 4656087 UFXQDCDWKVRQCZ-GAGNZYIBSA-N 390.468 4.295 10 50 GICA COc1cccc(/C=C2\SC(=S)NC2=O)c1OCc1cccc(Cl)c1 15277347 FMSBOLKMIUHEDU-DHDCSXOGSA-N 391.901 4.416 10 50 GICA COc1ccc(C[C@H]2CC=CC[C@H](Cc3ccc(OC)cc3)C(=O)C2=O)cc1 6457722 LUXBRJJBQYITGY-WOJBJXKFSA-N 378.468 4.210 10 50 GICA COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2 5020831 FLTXXOCJBMXERF-CHWSQXEVSA-N 393.505 4.023 10 50 GICA CCc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1 19361425 QCCRBCNJDNFMEM-UHFFFAOYSA-N 389.337 4.035 10 50 GICA NS(=O)(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 1875387962 HDCKPEBEOKGNCH-DINDLPBHSA-N 395.311 4.467 10 50 GICA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(OC)cc2OC)cc1 920193 KRMBSCRMGGOOBX-UHFFFAOYSA-N 381.428 4.187 10 50 GICA biogenic O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1Cc1cccnc1 1130745 SBOYZYZRRJMUMH-PDGQHHTCSA-N 381.526 4.083 10 50 GICA CC(=O)N1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 921421 WAPQRZDCFBFXHM-UHFFFAOYSA-N 383.300 4.093 10 50 GICA CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 5008564 QAAASDAACJMRHA-XNTDXEJSSA-N 389.885 4.390 10 50 GICA CCOc1cccc(CN2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)c1O 12573250 SCXFMSMUQOAPRB-HNNXBMFYSA-N 387.451 4.034 10 50 GICA COC(=O)COc1ccc(N(C)Cc2csc(-c3ccc(F)cc3)n2)cc1 170594186 KCKGOCNCJYNDJV-UHFFFAOYSA-N 386.448 4.137 10 50 GICA Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1 226847987 JYORXJOTXPFKMG-GOTSBHOMSA-N 379.548 4.148 10 50 GICA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)cc1 13551165 XDVZBBHKOJWUPB-JJXUHFIVSA-N 399.535 4.283 10 50 GICA COc1ccc(N2C(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)SC2=S)cc1 1150182 NYZALZPWQQVPLD-MHWRWJLKSA-N 386.454 4.318 10 50 GICA CC(=O)N1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 952331 NLCPLHACEFAZNM-UHFFFAOYSA-N 383.300 4.093 10 50 GICA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)c(O)c1 12241988 QYAYUPURTLUQLA-LJQANCHMSA-N 377.488 4.479 10 50 GICA O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4989943 YTMOWCRCIPJRSM-UHFFFAOYSA-N 394.339 4.043 10 50 GICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1 8578334 CMRCYZLRSDSGMN-SSZFMOIBSA-N 397.525 4.010 10 50 GICA aggregator COc1ccc(C2=C/C(=C3\c4ccccc4-c4ncccc43)C(=O)O2)c(OC)c1 13218240 YWNHTWKUYZAAKJ-QOCHGBHMSA-N 383.403 4.479 10 50 GICA COC(=O)c1cc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)c(C)o1 4755009 YALYULABHIQQHV-UHFFFAOYSA-N 394.379 4.222 10 50 GICA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC)c1 12074793 SKSCJXHJCNFGIP-CQSZACIVSA-N 389.879 4.158 10 50 GICA CCN(Cc1cc(OC)ccc1O)CC1CCN(CCc2ccccc2C)CC1 12576530 BOMCOIOSNKPSSY-UHFFFAOYSA-N 396.575 4.486 10 50 GICA COc1ccc2c(c1)c(=O)oc1cc(OCc3ccc(C(=O)O)cc3)ccc12 950423 FQQWZHWRCIQLIA-UHFFFAOYSA-N 376.364 4.232 10 50 GICA CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1 1302498 GSBKMIBCZVTHHF-XMHGGMMESA-N 393.443 4.048 10 50 GICA CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 4438208 SSSCSDLBMOXPJP-SXGWCWSVSA-N 383.451 4.328 10 50 GICA COc1ccc(O)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 1188410 FMDCXMZCTCKJNA-OVCLIPMQSA-N 377.874 4.460 10 50 GICA Cc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1C 2971216 ZUAFBVFVBNGDKV-XKZIYDEJSA-N 399.519 4.481 10 50 GICA CCOc1ccc2nc3cc(N4C(=O)c5ccccc5C4=O)ccc3c(N)c2c1 5953744 VZTDKBJSFMUWHG-UHFFFAOYSA-N 383.407 4.170 10 50 GICA COc1ccccc1-c1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O 19790380 DIPBHKKCKVWICC-UHFFFAOYSA-N 379.456 4.406 10 50 GICA biogenic CCOC(=O)[C@H](C)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 1165499 SJJGPPSZPUWRQA-AWEZNQCLSA-N 382.412 4.107 10 50 GICA CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3C[C@@H](O)COC)cc21 65370589 RNNWSFYKGQDQEO-HXUWFJFHSA-N 375.472 4.199 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 5046890 PPMWCCMDBSXZCG-FHSNZYRGSA-N 395.311 4.467 10 50 GICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O 19597184 MIMLYBQSBGCJCK-BKUYFWCQSA-N 386.455 4.309 10 50 GICA O=C(c1ccccc1Cl)N1N=C(c2ccccn2)C[C@H]1c1ccccc1O 225783136 JZKSEKITPYHBOZ-IBGZPJMESA-N 377.831 4.432 10 50 GICA CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 1154134 GIJIUZXEJBQRQF-WOJGMQOQSA-N 391.402 4.028 10 50 GICA O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccccc1 1219180 MDLKTJWXZGUNIL-XYOKQWHBSA-N 394.736 4.025 10 50 GICA Oc1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 12100090 GZPJXFUSNVXBDC-UHFFFAOYSA-N 382.847 4.208 10 50 GICA Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1C 954517 FQTGOEJHXNRRRC-KGENOOAVSA-N 385.467 4.172 10 50 GICA O=C(N=NC=C1C=CC(=[S@](=O)(O)c2ccc(Cl)cc2)C=C1)c1ccncc1 334159374 LFWGXDSLRPJOIU-UHFFFAOYSA-N 399.859 4.326 10 50 GICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)c(Br)c1 33323264 DAVCCPIDTRBITI-LFIBNONCSA-N 384.277 4.321 10 50 GICA COc1cccc(-c2nn(CN3CCCc4cc(OC)ccc43)c(=S)n2C)c1 716348 XYPCOYXFAZFMHL-UHFFFAOYSA-N 396.516 4.046 10 50 GICA CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S 5052628 VKOPTBUYKSOQPE-NTUHNPAUSA-N 380.834 4.339 10 50 GICA COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 3130494 DEJVHYDSYIKVEG-UHFFFAOYSA-N 398.418 4.279 10 50 GICA CCN(CC)c1ccc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)o1 8770110 JLDVJTSQDQVIAY-SFQUDFHCSA-N 381.432 4.249 10 50 GICA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC)c1 12074794 SKSCJXHJCNFGIP-AWEZNQCLSA-N 389.879 4.158 10 50 GICA Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 1207799 SRFIBVCXYDJMPB-RIYZIHGNSA-N 377.263 4.181 10 50 GICA CN(C)c1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100823354 MIQFSSRDWKQRJJ-SFHVURJKSA-N 396.292 4.163 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 1208107 AIMWWPWRYRXTIR-WJDWOHSUSA-N 386.454 4.399 10 50 GICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O 18085717 MTNDRJLSBAYSAA-UNOMPAQXSA-N 392.846 4.346 10 50 GICA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2O)CC1 12571645 RSBRFRXMPZNXRT-UHFFFAOYSA-N 387.907 4.434 10 50 GICA Cc1ccc(C2=C/C(=C/c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 1207392 MQIUJGNGJJBJFP-NSIKDUERSA-N 385.213 4.468 10 50 GICA Cc1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1 15723578 DHKPHKWBWSLFKR-FYJGNVAPSA-N 385.492 4.173 10 50 GICA COc1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)ccc1O 12558777 BPNZJFLVCGIXJB-DHDCSXOGSA-N 377.874 4.460 10 50 GICA COc1ccc(N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)cc1 12592924 RALPBDOESFYIFI-UHFFFAOYSA-N 393.512 4.090 10 50 GICA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OC 13802028 ZDIRAVCOIMGBPQ-RGEXLXHISA-N 377.440 4.271 10 50 GICA CCCCCCc1c(C)c2ccc(O)c(CN[C@H](C(=O)O)C(C)C)c2oc1=O 206166168 QOCCZMVCBIWRAU-IBGZPJMESA-N 389.492 4.129 10 50 GICA CCC(=O)N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4844972 YACQKMUQBPGLOY-SXSDINLZSA-N 377.400 4.129 10 50 GICA aggregator COc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1OC 11536126 CYPOWCIQWAGQTD-LQFYYXEQSA-N 391.452 4.008 10 50 GICA COCc1cc(CN[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1OC 22919917 PTYLEGBDFJNGER-NRFANRHFSA-N 388.939 4.249 10 50 GICA COc1ccc(O)c(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 42942792 LNZKLONKWLETRM-INIZCTEOSA-N 381.451 4.310 10 50 GICA Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H](C(=O)O)CC3)c2C)c1 1875353718 DEKTXMOOJMNENY-RBUKOAKNSA-N 382.504 4.474 10 50 GICA COc1ccc(CNC2CCN(Cc3cccs3)CC2)cc1CN1CCCC1 952966257 VXLFJWBKIOCKNE-UHFFFAOYSA-N 399.604 4.107 10 50 GICA CCCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 3879093 FOTIZOCKJLIVLE-IBGZPJMESA-N 389.565 4.059 10 50 GICA CCCCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1OC 16699688 KOSSUJMIGOEUEN-LGMDPLHJSA-N 395.546 4.112 10 50 GICA Cn1c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nnc1C1CC1 130618032 UMJUHTFINBPMDR-QGZVFWFLSA-N 395.532 4.027 10 50 GICA O=C1/C(=C/c2ccc(OC(F)F)cc2)SC(=S)N1Cc1cccnc1 1158983 JEBJEYXNKRTASK-ZSOIEALJSA-N 378.425 4.084 10 50 GICA CC(C)(C)n1ncnc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 800832953 QJFZNDCUPUKINS-KRWDZBQOSA-N 397.548 4.368 10 50 GICA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1O 1190794 SPXAQCRVGKEJGI-GZTJUZNOSA-N 387.482 4.205 10 50 GICA Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 1206037 REAGICCFPHIAEX-MDWZMJQESA-N 391.279 4.133 10 50 GICA Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(O)=NC2=S)cc1 1302124 DGFRDDMBEFEVRZ-GZTJUZNOSA-N 375.453 4.158 10 50 GICA COc1ccc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2(C)C)cc1 91997343 CVWWDZPYGRRFKQ-UHFFFAOYSA-N 393.531 4.036 10 50 GICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 15658602 RSTSPQARZLWBCP-ATVHPVEESA-N 389.367 4.367 10 50 GICA CCn1ccnc1C1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 95497554 WXFIMBDPIMIHBN-UHFFFAOYSA-N 376.504 4.330 10 50 GICA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(F)cc1 4679128 OXCVNCNTECJPTG-CPNJWEJPSA-N 394.475 4.264 10 50 GICA O=C(O)CCCCCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 2829620 KYQJYUAQRFMMMG-LCYFTJDESA-N 387.885 4.325 10 50 GICA O=C1c2c(O)ccc(O)c2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 34383525 WABFZNNQLRGYNF-UHFFFAOYSA-N 377.994 4.487 10 50 GICA COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(O)cc2)cc1 2953137 CEKRWBAVQHKDLL-KGENOOAVSA-N 388.398 4.374 10 50 GICA O=C(NCCCO)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4697726 YQGJBOCTJWSNCG-UHFFFAOYSA-N 381.435 4.202 10 50 GICA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 4077011 HZNVHHBVHKJAGC-RWHWCJDYSA-N 395.505 4.140 10 50 GICA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 170609731 HFJFCMIBLDDVEI-HNNXBMFYSA-N 390.439 4.082 10 50 GICA CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 967158 CAPNPDVHPNMXFM-LFIBNONCSA-N 385.466 4.189 10 50 GICA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2 4894140 HVJCWEROXIZCJI-CHWSQXEVSA-N 393.505 4.023 10 50 GICA O=C1NC(=S)S/C1=C\c1ccc(OCCOc2ccccc2Cl)cc1 15800553 HSSCGQFITNHACT-WJDWOHSUSA-N 391.901 4.287 10 50 GICA CCOc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 753763 PZEHIKPTBVYFOH-UHFFFAOYSA-N 399.446 4.431 10 50 GICA CCN(CC)C[C@H](O)CNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 4416974 UDDPPYHULIXFDV-OAHLLOKOSA-N 387.911 4.165 10 50 GICA biogenic,in-vitro COc1cc(Br)cc(CN2CCCC[C@@H]2c2cccnc2)c1O 4982716 UYUPNFCBGNOAPH-MRXNPFEDSA-N 377.282 4.286 10 50 GICA COc1ccc(C2(N(C(C)=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 4996294 HBTGRKMEUCKRQY-UHFFFAOYSA-N 385.419 4.023 10 50 GICA CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 4747580 WAZHWJBZMNRJRD-WYMLVPIESA-N 396.603 4.424 10 50 GICA CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)O1 2363817 GVDGJUMGEHDYLL-UHFFFAOYSA-N 398.411 4.123 10 50 GICA CCOc1ccccc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 15015224 GIFUJPBLTUFYTA-ZDLGFXPLSA-N 399.493 4.215 10 50 GICA Cc1cc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)c(C)n1-c1ccccn1 170624982 NGFUTOHDVQVDNF-FHJLPGHOSA-N 389.499 4.480 10 50 GICA O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(Cl)cc1C(F)(F)F 1000408 OELYZWHKDKQBFU-UHFFFAOYSA-N 389.757 4.415 10 50 GICA COc1ccc(CCN(Cc2ccccc2)C(=S)NCc2ccco2)cc1 1875253383 UYZBTEUSORTRPI-UHFFFAOYSA-N 380.513 4.408 10 50 GICA O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1 1217389 KNADWSZCKSJSLN-UVTDQMKNSA-N 392.502 4.117 10 50 GICA CCOc1cccc(CN[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1O 11812908 DKULIZWEJCCNDR-IBGZPJMESA-N 399.441 4.422 10 50 GICA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 1074366 RUXLNPIAFLHHAO-RGEXLXHISA-N 381.859 4.255 10 50 GICA CCOc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1135994 FULGIEHHZJDXIK-YVLHZVERSA-N 385.466 4.220 10 50 GICA OCCNC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 5051546 RWWINPJHWPNZMH-UHFFFAOYSA-N 398.491 4.368 10 50 GICA Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 894247 NNUXUSGXSYIHMS-UHFFFAOYSA-N 392.440 4.431 10 50 GICA aggregator COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(O)c1 43041395 FUXJULMTFQBPME-OAHLLOKOSA-N 399.441 4.449 10 50 GICA O=C1/C(=C\c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1cccc(Cl)c1 1137294 LDNKAVNDMOXAQE-NVNXTCNLSA-N 381.844 4.493 10 50 GICA Cc1ccc2[nH]c(=O)c(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)cc2c1 218236602 SVCWUQHTOLNEEU-UHFFFAOYSA-N 398.378 4.085 10 50 GICA C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc2ccsc2c1 840761201 SYAYKFWFDLVMOH-ZDUSSCGKSA-N 389.471 4.262 10 50 GICA CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1O 664065 DJFXKZOXQQZUDR-UHFFFAOYSA-N 397.402 4.183 10 50 GICA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2 4894137 HVJCWEROXIZCJI-OLZOCXBDSA-N 393.505 4.023 10 50 GICA COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 1131551 GQEVWOUQRFUQMK-UHFFFAOYSA-N 380.275 4.356 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 1229693 ADMGCTAFNJWVQW-BOPFTXTBSA-N 387.482 4.205 10 50 GICA Cc1cc(C(=O)Nc2cccc(C[S@@](C)=O)c2)c(C)n1-c1cccc(F)c1 115482670 RULQWGZMKKQEOD-MHZLTWQESA-N 384.476 4.364 10 50 GICA CCC(=S)/C=C1\Sc2ccc(Cl)cc2N1CCCS(=O)(=O)O 2913692 QDJFATGKUFITSI-ZROIWOOFSA-N 377.940 4.151 10 50 GICA O=C(c1ccccc1Cl)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 4248180 GSVQHLGWAVODTC-IBGZPJMESA-N 377.831 4.432 10 50 GICA COc1ccc(C[C@@H]2CC=CC[C@H](Cc3ccc(OC)cc3)C(=O)C2=O)cc1 6457719 LUXBRJJBQYITGY-BGYRXZFFSA-N 378.468 4.210 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 1002952 VYKWITRGFQETQR-ATVHPVEESA-N 399.493 4.278 10 50 GICA COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 12625390 ONBKANRXCTXCLM-YBEGLDIGSA-N 375.446 4.249 10 50 GICA O=C(O)CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 966933 AQGPIVNFUZOOAI-IZZDOVSWSA-N 376.286 4.059 10 50 GICA OCC1(CCOc2ccccc2)CCN(Cc2cc(Cl)ccc2O)CC1 12507370 GZMWPCXDZJNORB-UHFFFAOYSA-N 375.896 4.089 10 50 GICA COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O 13532516 MMILPRHBEBRBJC-NVNXTCNLSA-N 377.874 4.460 10 50 GICA COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 1147090 BMHXFUYEAVGKSU-JXAWBTAJSA-N 396.443 4.158 10 50 GICA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccccc2)cc1 4757976 CHXDFRLYQBMRSG-UHFFFAOYSA-N 397.482 4.312 10 50 GICA O=C(O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 966934 AQGPIVNFUZOOAI-WDZFZDKYSA-N 376.286 4.059 10 50 GICA Cc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1[N+](=O)[O-] 1213782 XVPBHDOIZXGPNA-RIYZIHGNSA-N 385.763 4.063 10 50 GICA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1269245 HZNVHHBVHKJAGC-LOSPSOMFSA-N 395.505 4.140 10 50 GICA [N-]=[N+]=NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71788200 PJRFTUILPGJJIO-IBGZPJMESA-N 394.431 4.459 10 50 GICA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1 1153880 QGFJVFPBNBXCRV-CPNJWEJPSA-N 386.407 4.230 10 50 GICA Cc1ccc(C2=NC(=O)/C(=C/c3cc(O)c(O)c(Br)c3)S2)cc1 5102135 MUQKQSJCEVWZCU-ZSOIEALJSA-N 390.258 4.230 10 50 GICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 15836624 LFUPVDOJTYKZBC-CLCXKQKWSA-N 394.383 4.045 10 50 GICA O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc(F)cc1 2955062 CAMNZAZSAHUYIQ-UHFFFAOYSA-N 396.237 4.248 10 50 GICA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)SC1=S 1163656 KMNVRCWPZINLKV-IUXPMGMMSA-N 386.498 4.044 10 50 GICA CCc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 5093298 VLZDVRQOHAGFPA-UHFFFAOYSA-N 385.419 4.042 10 50 GICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 4706710 LFUPVDOJTYKZBC-DOXZYTNZSA-N 394.383 4.045 10 50 GICA O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1137980 GSTFGOSZJSRQJA-NTEUORMPSA-N 375.858 4.444 10 50 GICA COc1ccc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c(O)c1 15079988 DLMKCZLQNXUSMD-GOSISDBHSA-N 383.488 4.121 10 50 GICA CC(C)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c1O 4148284 DPIDZKTWCWLXCL-UHFFFAOYSA-N 378.450 4.348 10 50 GICA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCCC1 5555147 GVIGRHICOQRZSX-NTCAYCPXSA-N 394.587 4.178 10 50 GICA Cc1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c(C)n1-c1ccccn1 252515770 NGFUTOHDVQVDNF-LYHRCORUSA-N 389.499 4.480 10 50 GICA N=C1/C(=C/c2cccs2)C(=O)N=C2SC(SCc3ccccc3)=NN12 4865629 ZCWNYUPTZRTNSX-KXXGJRMMSA-N 384.511 4.258 10 50 GICA CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 4482841 SSSGBKDAVUDSEA-MHWRWJLKSA-N 387.457 4.408 10 50 GICA c1ccc(CN(C[C@H]2CCCO2)C2CCN(c3ccc4c(c3)CCC4)CC2)nc1 1506431788 ZFKMRNQJUVEGEF-RUZDIDTESA-N 391.559 4.220 10 50 GICA CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S 1117768 BTANFTBSMPIFPW-ATVHPVEESA-N 383.494 4.435 10 50 GICA Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1 15723117 CUWYTYCGRWBSTE-NVNXTCNLSA-N 389.820 4.345 10 50 GICA O=C(O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 22171428 QYYFKRCAQSFHTH-XSFVSMFZSA-N 386.382 4.358 10 50 GICA CN(C)c1ccc(C2=CCN(C(=O)NCc3cccc(-c4cccnc4)c3)C2)cc1 1875261239 DBQXUGMRLZCYNF-UHFFFAOYSA-N 398.510 4.423 10 50 GICA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1832406 IGSANGDAAZZQED-WPCFGXOUSA-N 388.558 4.451 10 50 GICA COC(=O)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1154006 YXJDPSAFWRVQHI-YVLHZVERSA-N 394.477 4.360 10 50 GICA biogenic O=C1c2ccccc2C(=O)c2c1c(Cl)c(Cl)c(Cl)c2N1CCOCC1 4806673 LOHJXZUXFHSLNB-UHFFFAOYSA-N 396.657 4.259 10 50 GICA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 100163341 PITAWABLJDXREC-SFQUDFHCSA-N 380.360 4.089 10 50 GICA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 4473920 MHHBZCRYQHFAKS-PDGQHHTCSA-N 390.370 4.061 10 50 GICA CCOc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 2999092 RSRNGSJFUSEQIN-OQLLNIDSSA-N 390.442 4.085 10 50 GICA CCCCNC1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1 12097289 NRJRGCCSLLKDQH-UHFFFAOYSA-N 381.520 4.306 10 50 GICA CCOc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1229699 XXNXDXKEBDJWLU-WJDWOHSUSA-N 386.454 4.399 10 50 GICA CC(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 15010446 VNGKFOURUUFNDM-GZTJUZNOSA-N 384.888 4.295 10 50 GICA COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC 22135330 NZGWZSDYZCCPSR-UVTDQMKNSA-N 376.334 4.052 10 50 GICA COc1ccc(/N=N/Nc2ccc(I)cc2)c([N+](=O)[O-])c1 4952255 CQOGXFSPVOXWMV-UHFFFAOYSA-N 398.160 4.319 10 50 GICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 19595697 RNXRAHGYDSVEBT-JOCHJYFZSA-N 399.966 4.135 10 50 GICA C[C@H]1CCCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 253429246 SPIZHCQKQXSADI-MAUKXSAKSA-N 383.517 4.006 10 50 GICA Cc1cccc(C)c1-n1c(C)cc(/C=c2/sc3nc4ccccc4n3c2=O)c1C 15012521 MYUIREDTJAXECD-FYJGNVAPSA-N 399.519 4.481 10 50 GICA CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OC(C)=O 1206315 ZCNFHOOIEFUJPQ-GZTJUZNOSA-N 380.396 4.001 10 50 GICA CCCCCNC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 19606635 FBDMQKPNLAYVTC-UHFFFAOYSA-N 389.540 4.106 10 50 GICA Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)c1 22033587 GGECGGQMZFDXDU-ZHZULCJRSA-N 393.512 4.222 10 50 GICA O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccccc1 1213533 MQOZYIXXGSYWKN-AQTBWJFISA-N 390.489 4.386 10 50 GICA O=C1N=C(Nc2ccccc2O)S/C1=C\c1ccc(Br)cc1 5770708 APECMGZHOVPGKY-ZROIWOOFSA-N 375.247 4.237 10 50 GICA Cc1nc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)oc1C 170610637 RDADMPJDHBOXLP-UHFFFAOYSA-N 398.484 4.445 10 50 GICA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 966843 KYPFHZXHBBGHQE-MVHFLNARSA-N 381.478 4.270 10 50 GICA COc1ccc(C[C@@H]2CC=CC[C@@H](Cc3ccc(OC)cc3)C(=O)C2=O)cc1 2518986 LUXBRJJBQYITGY-PMACEKPBSA-N 378.468 4.210 10 50 GICA CC(C)(C)n1ncnc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 800832954 QJFZNDCUPUKINS-QGZVFWFLSA-N 397.548 4.368 10 50 GICA COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)c1 1202879 CJGPERAIPQCBMW-YVLHZVERSA-N 387.482 4.118 10 50 GICA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 1216465 PPMWCCMDBSXZCG-VBHSOAQHSA-N 395.311 4.467 10 50 GICA Cc1ccc(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 2961100 YJVWAXJYVRPXEB-QGOAFFKASA-N 385.510 4.284 10 50 GICA Cc1c(/C=C2/C(=O)NC(=S)N=C2O)cc(-c2ccccc2)n1-c1ccccc1 8742573 JQVWGNNQNKIWHF-UHFFFAOYSA-N 387.464 4.207 10 50 GICA Cc1cc(C)c(N2C(=O)N=C(O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 1228540 KRBXEVIJLAZIIU-XNTDXEJSSA-N 379.372 4.027 10 50 GICA O=C(NC[C@H]1CCCN(Cc2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1 11815166 ONQKFNUCNPUCEH-QGZVFWFLSA-N 398.934 4.106 10 50 GICA O=C(NN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S)c1ccccc1 19912895 UDLPJUOAVQIWIS-NTEUORMPSA-N 392.864 4.025 10 50 GICA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1c(O)ccc3ccccc13)C2=O 19318794 YGTKICZXXMIYNK-UHFFFAOYSA-N 378.516 4.043 10 50 GICA CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C1=O 8914576 JKLLIAGXTHPDKP-SAPNQHFASA-N 393.443 4.339 10 50 GICA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)coc23)C[C@@H](C)O1 13125314 DWAXRXHFYJTINV-OKILXGFUSA-N 399.874 4.428 10 50 GICA biogenic CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc12 19884542 LGWRSWAGVAZZHP-UHFFFAOYSA-N 381.325 4.385 10 50 GICA Cc1ccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)cc1 640774 PHRBUEQBFUBQNR-PXLXIMEGSA-N 384.435 4.035 10 50 GICA COc1ccc(N2CCN([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 756593 HRPCHJFRBJHTJU-INIZCTEOSA-N 378.438 4.467 10 50 GICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3cc(C(=O)O)oc3C)ccc12 1184813 AFKUGLYNSVXIGT-UHFFFAOYSA-N 394.379 4.442 10 50 GICA CCCc1cc(CNC(=O)c2ccc3c(c2)c2c(n3CC)C(=O)CCC2)on1 823020268 GEPPTBJRDVWUCA-UHFFFAOYSA-N 379.460 4.051 10 50 GICA Nc1ccc(Cc2nc(C(=O)N3C[C@@H]4CC[C@H]3c3ccccc34)cs2)cc1 1337078588 ZXPUWYLUMONVNH-YWZLYKJASA-N 375.497 4.391 10 50 GICA