smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N(C)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 3808232 NFTVOHMUOBEDKM-GOSISDBHSA-N 378.519 4.275 10 1 GICF CCCCCNc1c2ccccc2nc2cc(C(=O)N3CCN(C)CC3)ccc12 169331370 QYXXJGMQWDUDNM-UHFFFAOYSA-N 390.531 4.378 10 1 GICF Cc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)s1 84604883 INCIXWKXCBVVJO-UHFFFAOYSA-N 393.468 4.423 10 1 GICF Brc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685245 DEVZPDQQUUFEDA-ZNTNEXAZSA-N 394.236 4.257 10 1 GICF O=C(O)CCN1C(=O)/C(=C/c2ccc(Oc3ccccc3)cc2)SC1=S 198715503 KXVHHUCLRNIFPQ-VBKFSLOCSA-N 385.466 4.155 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3cccnc23)N1 587779413 SDJCVAKYCSSOQM-GIGQVBGESA-N 387.252 4.466 10 1 GICF CCOc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803105 WGHFZRCZJOMNNF-MGNBDDOMSA-N 380.257 4.316 10 1 GICF COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1C 1772579122 AIRBKICHIYLWQO-OAQYLSRUSA-N 387.439 4.096 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(F)F)cc3)C2)cc1 1772647047 QHOLCPDEBVLBEW-VBKZILBWSA-N 390.430 4.143 10 1 GICF Nc1ccc(Oc2ccc3nc(CSc4nnc(S)s4)[nH]c3c2)cc1 587025459 MNVVTJQKYAOEJC-UHFFFAOYSA-N 387.515 4.370 10 1 GICF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 101912625 RGFYYSAZVKHFLW-IHPCNDPISA-N 375.468 4.480 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 209119313 HTXKDWUKUCOXAL-BXKMTCNYSA-N 394.515 4.330 10 1 GICF CCOc1cccc(O)c1[C@]1(C)c2cccc(Br)c2CCN1C 963279636 HYHOSTHRQJZWPM-IBGZPJMESA-N 376.294 4.305 10 1 GICF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccccc3O)C[C@@H]1O2 95557755 HFHNVSAKEJJTBA-HTZUNMPGSA-N 381.472 4.024 10 1 GICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1N 5138691 RQPPMOXSZXIXKM-UHFFFAOYSA-N 378.457 4.085 10 1 GICF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)nc(C)c1O 103279577 PZRYRGCGKZCRRU-QURGRASLSA-N 383.433 4.015 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3cccnc23)N1 587776995 FJIPKFGGHBJYEZ-OVWNDWIMSA-N 387.252 4.466 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)C(C)(C)CO4)C2)cc1 1772625680 GUDHKPILWGIRMZ-HRAATJIYSA-N 394.515 4.211 10 1 GICF COc1c(O)c(O)c2c(oc3oc(/C=C/c4ccccc4)cc(=O)c32)c1OC 13453942 QXEBIXCIMOCZGN-CMDGGOBGSA-N 380.352 4.138 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCO4)[C@H]1CC=C[C@H]21 587277493 WZZJQARELMZVFW-QAJFTPDKSA-N 390.399 4.335 10 1 GICF Oc1ccc([C@H]2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(O)c1 5773124 FOKFNNLNWHNNAP-FQEVSTJZSA-N 393.830 4.348 10 3 GICF aggregator COc1ccccc1CCNC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 28821298 VRZOESAUIOIKQL-ZHZULCJRSA-N 389.480 4.046 10 1 GICF C[C@H]1C[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2c(O)c(Cl)cc(Cl)c21 962912225 PAECJTBCNZOGDY-WHYMJZIWSA-N 396.245 4.188 10 1 GICF O=C1N=C(O)S/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1Cl 169700815 YCFIHDDUDUEOKN-ZSOIEALJSA-N 390.804 4.356 10 1 GICF O=C(Cc1ccc(O)c(O)c1)OCc1ccc(-c2nc3ccccc3o2)cc1 653834997 YKKBXMBXOXFDLC-UHFFFAOYSA-N 375.380 4.192 10 1 GICF CN(C)c1ccc([C@@H]2N[C@@H](c3ccc(N(C)C)cc3)[C@H]3CCC[C@@H]2C3=O)cc1 44681653 KHIIHIIDBURJAV-BJESRGMDSA-N 377.532 4.190 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N(C)C)cc2)N1 587759050 ZYRCFJBHXDWQBG-CWTRNNRKSA-N 377.301 4.452 10 1 GICF Cc1cc(C=O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587821841 KBMPHMLGBOSLLW-QGHHPUGFSA-N 378.241 4.038 10 1 GICF C=C1NNC(=O)C(c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)=C1C 587922543 PXKJMZCACYQCFJ-UHFFFAOYSA-N 394.475 4.278 10 1 GICF COc1ccc(-c2nn(C(N)=S)c(O)c2/N=N/c2cccc(Cl)c2)cc1 169307452 PAEBGQPALQERSI-QZQOTICOSA-N 387.852 4.425 10 1 GICF O=C(CCc1ccc(NC(=O)c2ccccc2)cc1)CCc1ccc(O)c(O)c1 1772607598 WTUSJCDBAGTYLA-UHFFFAOYSA-N 389.451 4.485 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c21 587174411 PFKRFIWZOSHTTA-SFHVURJKSA-N 384.366 4.154 10 1 GICF Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3ccc(-c4nccs4)o3)S2)cc1 28888609 PHPJPARVHUQZMS-GDNBJRDFSA-N 395.465 4.112 10 1 GICF CC[C@]1(c2cc(C)ccc2O)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714488 OYGGVDPPEWJNKJ-APWZRJJASA-N 397.368 4.111 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)COC)cc3)C2)cc1 96173019 OQRLWZSCOLUESW-QGZVFWFLSA-N 383.488 4.062 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c(F)c2)N1 587726252 WKWWLJRUIZAXGB-XTZNXHDOSA-N 381.264 4.417 10 1 GICF O=C1c2ccc(O)cc2O[C@@]2(CCc3c2ccc(O)c3O)[C@H]1c1ccc(F)cc1 587357656 VACCBHUIFPTLAP-NZQKXSOJSA-N 392.382 4.143 10 1 GICF CCc1ccccc1NC(=O)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587240711 ICNYGKSOXYQLJW-UHFFFAOYSA-N 395.418 4.153 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(Cl)c2)N1 587693147 MDASGMFJCFIXSR-NZFNHWASSA-N 386.648 4.276 10 1 GICF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587275556 DSGLMPKYPXNQIA-VEVIJQCQSA-N 377.404 4.010 10 1 GICF COc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587809326 TUAUVUTWYNAAJS-YPMLDQLKSA-N 380.257 4.100 10 1 GICF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCC3)CN(C)[C@@H]1C2 27657829 DPLQRGMNQNBJFT-JMUQELJHSA-N 393.575 4.316 10 1 GICF CCCCC=Cc1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O 2356717662 VBCIGIPAGWIVFH-UHFFFAOYSA-N 388.803 4.141 10 1 GICF CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1 63298460 OSYFIVGHFZBFOD-UHFFFAOYSA-N 376.485 4.287 10 1 GICF Nc1ccc(Cn2c3c(c4ccccc42)CCN(C(=O)c2ccc(O)cc2)C3)cc1 14946234 LRPNXHZUZLOHJT-UHFFFAOYSA-N 397.478 4.176 10 1 GICF Nc1c(F)c(F)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1F 587136094 BZYMQIXODOGYPD-UHFFFAOYSA-N 393.324 4.005 10 1 GICF Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 617960117 UKOHKKCMHZPQKF-UHFFFAOYSA-N 394.250 4.417 10 1 GICF COc1ccccc1Cn1c2c(c3cc(O)ccc31)C(=O)c1ccccc1C2=O 1662850 CLXZRRMUHNTKOH-UHFFFAOYSA-N 383.403 4.179 10 1 GICF CCCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1 142317684 BKKVGSCYZWSXSE-KRWDZBQOSA-N 382.504 4.330 10 1 GICF CC(C)[C@@H]1c2cc(O)c(O)cc2CCN1C(=S)NCc1ccc(Cl)cc1 1857584620 ZTMPVNDMHSUWJQ-LJQANCHMSA-N 390.936 4.381 10 1 GICF O=C(c1ccc(OC2CCN(Cc3ccccc3O)CC2)cc1)N1CCCCC1 12053954 CMCFMNVBTPSQAP-UHFFFAOYSA-N 394.515 4.062 10 3 GICF COc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587809324 TUAUVUTWYNAAJS-MLCYQJTMSA-N 380.257 4.100 10 1 GICF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c2oc3cc(O)c(O)cc3c12 14656231 YEVIEPVZESGCLZ-UHFFFAOYSA-N 394.379 4.233 10 1 GICF biogenic C[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359378 YKCINBARBXMXAU-IFMALSPDSA-N 380.371 4.217 10 1 GICF COc1cc2oc3c4ccccc4oc(=O)c3c2c(CN2CCCCC2)c1O 1857572952 HWAQQOWGDVMKNE-UHFFFAOYSA-N 379.412 4.393 10 1 GICF O=C(NCc1ccc(O)c(O)c1)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 103234394 WBTMFCPHVKGAFQ-UHFFFAOYSA-N 393.483 4.201 10 1 GICF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1cccc(Cl)c1O 96305591 LDRFMYPQOTVZTR-UHFFFAOYSA-N 383.831 4.494 10 1 GICF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(O)c2ncccc12 103151877 MVOQTAHXMJGIBA-OFVILXPXSA-N 397.430 4.198 10 1 GICF CC(=O)NC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCC(C)CC1 587234431 MNTXBSZCRKSJFC-UHFFFAOYSA-N 378.476 4.479 10 1 GICF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccc(OCC)cc3)C1)CC2=O 587479743 USCBMOCAJXXGSJ-HSZRJFAPSA-N 381.472 4.358 10 1 GICF COc1ccc(N2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)cc1 64399379 GNTDBMCBQLWMFW-UHFFFAOYSA-N 383.879 4.326 10 1 GICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(Cl)c1 587544680 NGVSXGPBXFMOSB-JXFKEZNVSA-N 384.771 4.160 10 1 GICF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)c(Br)c1)CC2=O 587455400 BLRPEVOPZRXBTH-MRXNPFEDSA-N 393.233 4.225 10 1 GICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(Cl)c1 587544684 NGVSXGPBXFMOSB-OXQOHEQNSA-N 384.771 4.160 10 1 GICF COc1cc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc(OC)c1OC 299866506 VZKSNXNZGSBCGC-ZDUSSCGKSA-N 390.867 4.127 10 1 GICF CCOc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801337 KIOSFLKULWIWNW-JEOXALJRSA-N 394.284 4.490 10 1 GICF C[C@@H](Nc1ccc(Cl)cc1C(=O)c1ccc(Br)cc1)C(=O)O 28761777 AZFZHLOFNDRHFC-SECBINFHSA-N 382.641 4.219 10 1 GICF O=[N+]([O-])c1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)cc1 103299484 XCHFEUWVAVUQHY-UHFFFAOYSA-N 395.849 4.173 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OCCN3C)N1 587773014 IUMAOKRFEUFAAT-NSPYISDASA-N 391.284 4.040 10 1 GICF COc1cc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)cc(O)c1O 587786376 SURMZILFSWTOMY-NSCUHMNNSA-N 379.185 4.055 10 1 GICF CCCCCc1cc(O)nc2c1C(=O)c1c(nc(O)c(C)c1CCCCC)C2=O 2356497748 XRVKCURQKFTZGG-UHFFFAOYSA-N 396.487 4.437 10 1 GICF CC(C)Cn1c2ccccc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29125491 ILXVDMYISRLVIY-UHFFFAOYSA-N 384.483 4.193 10 1 GICF CNc1ccc2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 45496347 LSOMULSNADXHBQ-UHFFFAOYSA-N 381.428 4.147 10 1 GICF CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1 96270541 WZHAXMVWLBKUOX-BJMVGYQFSA-N 389.240 4.404 10 1 GICF CN(C)CCOc1cc2oc3c(c2c2ccccc12)C(=O)c1ccccc1C3=O 13651668 LAHXMGXCHZGTHV-UHFFFAOYSA-N 385.419 4.302 10 1 GICF CC[C@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587807055 JSEKDBRMTJWJLL-NSPYISDASA-N 394.284 4.490 10 1 GICF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cn1 587276273 KAPDIRPTRSXIGB-QHRIQVFBSA-N 377.404 4.010 10 1 GICF CC[C@@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809395 QCIFUZZCTKWDPE-WLRWDXFRSA-N 394.284 4.490 10 1 GICF C=CC(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587244222 NCWQRVRWALHDQH-UHFFFAOYSA-N 393.402 4.130 10 1 GICF O=C(O)c1ccccc1/C=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586878460 DRAGKHOBWPMVKO-XFXZXTDPSA-N 394.386 4.207 10 1 GICF C[C@@]1(c2cc(OCc3ccccc3)ccc2O)NCCc2nc3ccccn3c21 962985508 PIMGIEJQTKSCLK-DEOSSOPVSA-N 385.467 4.028 10 1 GICF CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1857760439 NANDDLAEPXKMHJ-GXDHUFHOSA-N 388.467 4.382 10 1 GICF COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)[C@@H]4O)c(O)c12 15121592 NNCITNDNYQWFCU-BYVOGVQKSA-N 379.456 4.321 10 1 GICF biogenic Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1C 49049146 ZHCUJNFSQKVRFB-UHFFFAOYSA-N 398.444 4.329 10 1 GICF CN(C)CCCOc1ccc2c(ccc3c4c(nnc32)-c2ccccc2C4=O)c1 1772618565 LXIFFZGOQXTCRK-UHFFFAOYSA-N 383.451 4.325 10 1 GICF C[C@H](CN(C)C)Oc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O 28713988 YZDUWZIPARTLNH-LLVKDONJSA-N 383.831 4.191 10 1 GICF COc1ccc2c(c1OC)CN(C)c1c-2cc(OC)c2cc3c(cc12)OCO3 13458972 OOQIIAZCZVJYHN-UHFFFAOYSA-N 379.412 4.211 10 1 GICF biogenic O=C1NC(=S)/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S1 299835996 XNASGCXERIGZGC-QJISPJEISA-N 381.482 4.169 10 1 GICF O=C(c1ccc(Cn2c3c(c4ccccc42)C[S@](=O)CC3)cc1)C(F)(F)F 1857652436 HKXBLNCLJTXRJI-HHHXNRCGSA-N 391.414 4.239 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)C(C)(C)CO4)C2)cc1 1772625681 GUDHKPILWGIRMZ-KKSFZXQISA-N 394.515 4.211 10 1 GICF CCC1=NN2C(=N)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1 1857617284 RHZSUTIPCMMNRJ-UHFFFAOYSA-N 383.864 4.160 10 1 GICF Sc1nc(S)c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587079762 GRDDPWXXUPACTJ-SBMIAAHKSA-N 387.921 4.410 10 1 GICF CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc2nc3ccccc3nc2cc1N 299863193 OUDXZRQKCDKFLL-ZPKNHPDFSA-N 395.426 4.240 10 1 GICF CCOc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587800317 FNVHDXZLZJPZNO-YPMLDQLKSA-N 380.257 4.316 10 1 GICF Cc1nc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C)c(C)c1O 103279579 PRFAPNBSAKGDHK-GHVJWSGMSA-N 397.460 4.324 10 1 GICF CCOc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802686 TWZCMIJDERKPPH-WYRIXSBYSA-N 394.284 4.490 10 1 GICF C[C@@H]1Oc2c3c(c4c(=O)c5ccc(O)c(O)c5oc4c2C1(C)C)O[C@H](C)C3(C)C 14686350 YOOLRLCJQJIYEG-ZJUUUORDSA-N 396.439 4.474 10 1 GICF biogenic COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(Cc1ccccc1)c1ccccc1O 963613630 VFAQSVNCWRZEET-CRICUBBOSA-N 389.495 4.430 10 1 GICF CC(=O)Nc1cc(C(=O)O)cc(NCc2ccccc2)c1C(=O)c1ccccc1 169343301 SBAQJKXJUHAZIE-UHFFFAOYSA-N 388.423 4.186 10 1 GICF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 587276278 KAPDIRPTRSXIGB-XEKQOVJPSA-N 377.404 4.010 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c(F)c2)N1 587726249 WKWWLJRUIZAXGB-MGNBDDOMSA-N 381.264 4.417 10 1 GICF COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)c(CO)cc(OC)c12 15121570 UORJGZQGXAWGDM-KGLIPLIRSA-N 393.483 4.317 10 1 GICF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276299 KHKPDBLTBZNCBA-LPMFXHHGSA-N 390.399 4.304 10 1 GICF Oc1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c(O)cc1Br 963102532 KPOKLQURJGBBSU-VOJFVSQTSA-N 378.241 4.109 10 1 GICF CCOC(=O)Cn1c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389730 JBJRWDJMXKIJSV-FQEVSTJZSA-N 392.455 4.110 10 1 GICF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc(Cl)cc1O 28099648 MUPWIQWODSBHSZ-UHFFFAOYSA-N 383.831 4.494 10 1 GICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1c(C)cccc1C 49054615 QPDJINSYHAJAMT-UHFFFAOYSA-N 398.444 4.329 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(F)c2O)N1 587714481 AADRTLJMEKUQEQ-RBHXEPJQSA-N 386.211 4.370 10 1 GICF NC(=O)N1CCc2sccc2[C@@H]1c1ccc(OCc2ccccc2)cc1O 962709955 KUUHPGIRCDXONW-FQEVSTJZSA-N 380.469 4.059 10 1 GICF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H]1CO 95869293 PWCJQSNTMVGNNT-PMOQBDJRSA-N 380.532 4.144 10 1 GICF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(N2CCN(C)CC2)cc1Cl 963011330 PFGDSDFMQSQBAS-LJQANCHMSA-N 375.969 4.005 10 1 GICF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587812012 YHHZSPBZWAHECE-MLCYQJTMSA-N 380.257 4.100 10 1 GICF COc1cc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)cc(O)c1O 587785045 HQFYJSJJDGRLNI-DJWKRKHSSA-N 379.185 4.055 10 1 GICF C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc4cnccc34)cc2)C[C@@H](C)O1 14973445 PBGIBLMGQBQELE-CALCHBBNSA-N 390.487 4.170 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3cccnc23)N1 587776994 FJIPKFGGHBJYEZ-GIGQVBGESA-N 387.252 4.466 10 1 GICF CC(C)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962966487 MJZHWCMPLUMYIF-YOEHRIQHSA-N 381.806 4.136 10 1 GICF C[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359386 YKCINBARBXMXAU-RBBKRZOGSA-N 380.371 4.217 10 1 GICF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@H]1C[C@H]2C=C[C@@H]1C21CC1 12451901 RGFYYSAZVKHFLW-RLLQIKCJSA-N 375.468 4.480 10 1 GICF CC(=O)C[C@@]1(c2ccccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834578 SFWWXHBPSUAGDG-WLRWDXFRSA-N 392.268 4.051 10 1 GICF COc1ccc2c(O)c(O)ccc2c1-c1c(OC)ccc2c(O)c(O)ccc12 28969746 JFHMXYRSJMPJNE-UHFFFAOYSA-N 378.380 4.500 10 1 GICF biogenic CCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2 27745902 QAYZKNZVJWECOG-NQSCKRDGSA-N 379.548 4.070 10 1 GICF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ccc(OC4CCC4)cc3)C2)cc1 142309436 UUGXOZZOPHIYCM-MRXNPFEDSA-N 380.488 4.083 10 1 GICF O=c1oc(-c2ccc(F)c(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O 35242379 WHPOKFZAXWSQNX-UHFFFAOYSA-N 388.704 4.069 10 1 GICF CC(C)c1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)[nH]n1 5093449 QWOHFEXCZANGKK-QZQOTICOSA-N 376.214 4.407 10 1 GICF Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)s2)cc1O 142482254 JPXUJSPDZHMJPH-UHFFFAOYSA-N 380.219 4.062 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N(C)C)cc2)N1 587759046 ZYRCFJBHXDWQBG-BLVKFPJESA-N 377.301 4.452 10 1 GICF O=C1C[C@H](c2ccc(O)cc2)Oc2cc3oc4cc(O)c(O)cc4c3c(O)c21 13358957 DBSPNTHFWOUQFX-OAHLLOKOSA-N 378.336 4.115 10 1 GICF biogenic COc1cccc(CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587932410 XKCAAEPSTHACMI-UHFFFAOYSA-N 382.419 4.132 10 1 GICF COCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 40835350 WVSCJHNPJSMDST-UHFFFAOYSA-N 387.476 4.184 10 1 GICF COc1ccc(OC)c(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)n[nH]2)c1 617960157 PXQHBVLPJNHLFC-UHFFFAOYSA-N 391.387 4.205 10 1 GICF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc3oc4cc(O)c(O)cc4c3c(O)c21 13358954 DBSPNTHFWOUQFX-HNNXBMFYSA-N 378.336 4.115 10 1 GICF biogenic Oc1cc(-c2nc(NCc3ccc(F)c(F)c3)c3ccccc3n2)cc(O)c1O 58590857 DJTKHHMRYZHDIW-UHFFFAOYSA-N 395.365 4.304 10 1 GICF Oc1ccccc1CNC[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 45187207 CGQJRJPTOKWVIG-OAHLLOKOSA-N 379.300 4.253 10 1 GICF Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CC(F)(F)C(F)(F)F)CC3 27440152 JDUJZJYLYXZGTG-CYBMUJFWSA-N 385.332 4.418 10 1 GICF C[C@@H]1C(=O)N(Cc2cccc(Cl)c2)c2scc(-c3ccccc3)[n+]2C1=O 101329894 GREMJGZNJARNRI-CYBMUJFWSA-N 383.880 4.179 10 1 GICF CN(C)c1ccc([C@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 473090877 AYYXWVFJMMNUAW-QGZVFWFLSA-N 377.307 4.294 10 1 GICF CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259595 FOGZKBISEFEJQB-UHFFFAOYSA-N 378.502 4.007 10 1 GICF COc1ccc(Cl)c2c1CCN[C@@]2(c1c(O)cccc1F)C(F)(F)F 963257137 HZBQABYWUFBIGD-INIZCTEOSA-N 375.749 4.145 10 1 GICF CCOc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801338 KIOSFLKULWIWNW-NSPYISDASA-N 394.284 4.490 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N(C)C)cc2)N1 587756988 TXGXWYIRATXSEN-CWTRNNRKSA-N 377.301 4.452 10 1 GICF O=C(c1ccc(Cn2c3c(c4ccccc42)C[S@@](=O)CC3)cc1)C(F)(F)F 1857652437 HKXBLNCLJTXRJI-MHZLTWQESA-N 391.414 4.239 10 1 GICF O=C1C[C@H](c2cc(O)c(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587497527 CQUVXACFVUPFMK-QGZVFWFLSA-N 389.245 4.446 10 1 GICF COc1cc(/C=C\c2nc3ccc(Br)c(C)c3[nH]2)cc(O)c1O 587785604 OBSDZHPFEQFYKA-UTCJRWHESA-N 375.222 4.224 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(F)c2O)N1 587722900 UFYDSPQNSFPSCA-CQLKUDPESA-N 386.211 4.370 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c21 587088882 UINJMDDGAXCZDX-NSHDSACASA-N 393.393 4.088 10 1 GICF CC(C)[C@@]1(C2C(=O)c3ccccc3C2=O)c2c(F)cccc2C[C@@H]2CCCN21 963110848 VTWBWGXOVGKXHV-FYSMJZIKSA-N 377.459 4.393 10 1 GICF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@H]2C(=O)OCCc1ccc(N)cc1 36177123 VUMBHSIUPKOPEK-YUMYIRISSA-N 398.934 4.274 10 1 GICF NC(=S)/N=N/c1c(O)n(Cc2ccc(Br)cc2)c2ccccc12 101816945 KWWYWZZUVOYDGM-FMQUCBEESA-N 389.278 4.485 10 1 GICF CCCOc1ccc(N2CC(c3ccc(C[C@H](C)NC(C)=O)cc3)C2)c(OC)c1 149629868 CEACJIQHRUFCLW-KRWDZBQOSA-N 396.531 4.155 10 1 GICF CCOc1ccccc1NC(=S)N1CCN(c2ccc(OC)cc2)[C@@H](C)C1 33613062 XVPIUCITNXCOQG-INIZCTEOSA-N 385.533 4.001 10 1 GICF Cc1c(C)c2c(c(Cc3noc(-c4ccc(O)c(O)c4)n3)c1O)CCC(C)(C)O2 49807613 VULOMBIOHOBIGV-UHFFFAOYSA-N 396.443 4.165 10 1 GICF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4nc(O)nc(O)c4cc3[C@H]12 587560963 LEJRGCRPTCNSOT-VGOFRKELSA-N 393.443 4.079 10 1 GICF O=C(O)[C@H]1CCCN(CCOCC=C2c3ccccc3CCc3ccccc32)C1 26282676 JAYKIOPDHWYQDF-NRFANRHFSA-N 391.511 4.030 10 1 GICF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2c2ccc(C)o2)cc1 28950869 RMWLSXCOPQHABL-OAQYLSRUSA-N 379.412 4.369 10 1 GICF Nc1ccc(Oc2ccc3nc(CSc4ncccc4C(=O)O)[nH]c3c2)cc1 586967507 AEZKRZRXMYVKGY-UHFFFAOYSA-N 392.440 4.323 10 1 GICF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587801832 NWOPVYICFFZIMM-YPMLDQLKSA-N 380.257 4.316 10 1 GICF COc1ccc(Cl)c2c1CCN[C@]2(c1c(O)cccc1F)C(F)(F)F 963257138 HZBQABYWUFBIGD-MRXNPFEDSA-N 375.749 4.145 10 1 GICF Cc1cc(N2CCOCC2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518956 RJHQLHICMVFBEW-HSZRJFAPSA-N 377.484 4.417 10 1 GICF O=C1c2ccccc2-c2cc(CCc3ccc(O)c(O)c3)nc3ccc(O)c1c23 586992313 VDGHZXVPVPHFPK-UHFFFAOYSA-N 383.403 4.348 10 1 GICF CC[C@@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807058 JSEKDBRMTJWJLL-WLRWDXFRSA-N 394.284 4.490 10 1 GICF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)CC2=O 587468062 ALEOMRFSZSXSHV-NRFANRHFSA-N 394.431 4.474 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3F)C2)cc1 1772624455 KSXCNIJCHQJGAZ-YCRPNKLZSA-N 398.478 4.222 10 1 GICF COc1ccc(CCNC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)cc1 28821293 VNOYIPYTNHSABI-ZHZULCJRSA-N 389.480 4.046 10 1 GICF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1c(O)cc(C(=O)O)c2ccccc12 169319690 KAUVMRSQXIYVRJ-GHVJWSGMSA-N 388.383 4.446 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN3C)N1 587766914 OWSICFCCWJUXLY-NSPYISDASA-N 375.285 4.204 10 1 GICF O=C(c1cccnc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28463836 KOXMUIJVVUZLEA-XVNBXDOJSA-N 384.391 4.148 10 1 GICF Cc1oc2c(c1C(=O)Oc1ccc3ccccc3c1)C(=O)c1ncccc1C2=O 1857632414 WDBWPUMZSBNBMR-UHFFFAOYSA-N 383.359 4.131 10 1 GICF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ncccc23)ccc1O 14956306 UVEHBAKIUGLPCL-NVMNQCDNSA-N 383.407 4.437 10 1 GICF C[C@H](Nc1ccc(Cl)cc1C(=O)c1ccc(Br)cc1)C(=O)O 28761779 AZFZHLOFNDRHFC-VIFPVBQESA-N 382.641 4.219 10 1 GICF COc1cccc(SCc2nc3c(Cn4ccnc4C)c(O)ccc3n2C)c1 64560770 IZJXFDXWUIROLF-UHFFFAOYSA-N 394.500 4.133 10 1 GICF COc1ccc(N2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 103267929 YFLOONFZAZGGHC-UHFFFAOYSA-N 386.495 4.367 10 1 GICF O=C(NCc1ccc(O)cc1O)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 84605166 FXWMRZHJFYXBFU-UHFFFAOYSA-N 393.483 4.201 10 1 GICF O=C(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1 45228891 QZZFLIHUQDLOIR-INIZCTEOSA-N 393.314 4.484 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(F)cc2F)N1 587716057 DDRGYUXZUXIMLI-RBHXEPJQSA-N 386.211 4.370 10 1 GICF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)c(Br)c1)CC2=O 587455399 BLRPEVOPZRXBTH-INIZCTEOSA-N 393.233 4.225 10 1 GICF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccc(N3CCCCCC3)cc1)NCC2 962928064 GJOGXGQZOMWMRT-VWLOTQADSA-N 391.559 4.178 10 1 GICF COc1ccc(OC)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 45347958 YMMNSPRLYKGENZ-UHFFFAOYSA-N 384.391 4.023 10 1 GICF CCC[N+]1(C)CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 40872467 ODAZWJAXDUSDPO-UHFFFAOYSA-O 382.480 4.334 10 1 GICF in-vivo O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc(Br)c1 6992821 MORCGWXFWQIZQU-UHFFFAOYSA-N 399.273 4.244 10 1 GICF CN(C)c1ccc([C@H]2N[C@@H](c3ccc(N(C)C)cc3)[C@H]3CCC[C@H]2C3=O)cc1 102147405 KHIIHIIDBURJAV-ODAXIHTASA-N 377.532 4.190 10 1 GICF COc1cc(C(=O)c2csc(-c3ccc(N(C)C)cc3)n2)cc(OC)c1OC 64527129 SADKQIBPWHAUDE-UHFFFAOYSA-N 398.484 4.133 10 1 GICF COc1ccc(-c2ccc3oc4ccc(=O)n(-c5ccc(N)cc5)c4c3c2)cn1 1857651889 QAENRGCKZUVLAZ-UHFFFAOYSA-N 383.407 4.390 10 1 GICF COc1ccc(C[C@@H]2CCCCc3c2cc(OC)c(OC)c3OC)c(O)c1O 40863737 YNRFYXRSFLFHQZ-ZDUSSCGKSA-N 388.460 4.185 10 1 GICF COc1cc(OC)c([C@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1OC 96938903 UAEDBZVIMWNWFP-GOSISDBHSA-N 378.428 4.010 10 1 GICF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(Cc1ccccc1)c1ccccc1O 963613641 VFAQSVNCWRZEET-SSOJOUAXSA-N 389.495 4.430 10 1 GICF COc1c(F)ccc(F)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587132341 BPWIQDLWLMXRTO-UHFFFAOYSA-N 390.345 4.292 10 1 GICF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccccc3)cc12 28570293 XEVWMHHQHAYAET-JLHYYAGUSA-N 388.515 4.193 10 1 GICF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccccc1)c1ccc(O)c(O)c1 963058811 RBGMIDLUFCTINQ-RUZDIDTESA-N 398.462 4.092 10 1 GICF CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587802202 PXVTUHWYOBRGGQ-BTDLBPIBSA-N 380.257 4.316 10 1 GICF NC(=O)c1ccc(N=Nc2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1 299849228 ATSUVENOLUQPBS-UHFFFAOYSA-N 383.411 4.347 10 1 GICF Oc1c(CN2CCCC2)cc(Cn2ncc3cc(F)ccc32)c2cccnc12 1857759403 LAHICNLAJHMFQU-UHFFFAOYSA-N 376.435 4.073 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(F)cc2F)N1 587716054 DDRGYUXZUXIMLI-QPFGOUBPSA-N 386.211 4.370 10 1 GICF CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587802203 PXVTUHWYOBRGGQ-DYZYQPBXSA-N 380.257 4.316 10 1 GICF CN1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@H]4CCCC[C@H]4O3)cc21 169307100 AKAZQQQRHQNSNR-NBCNXNJRSA-N 382.529 4.337 10 1 GICF Cc1cccc(C(=O)Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c1 28765192 DXDBVHFSJKZBJL-UHFFFAOYSA-N 393.531 4.145 10 1 GICF CCc1nc2ccccc2n1CCCCOc1ccc(N2CCOCC2)cc1 473249929 ZNGSMMJBTOCIFT-UHFFFAOYSA-N 379.504 4.295 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4cn[nH]c4cc3[nH]1)[C@H]1CC=C[C@H]21 587275302 BNKLMCSPWCELNP-YRVVQQKDSA-N 386.415 4.482 10 1 GICF CCOc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803106 WGHFZRCZJOMNNF-MLCYQJTMSA-N 380.257 4.316 10 1 GICF COc1cc(O)c2c(c1)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587810444 SSZMTJFFUDJSLQ-APBUJDDRSA-N 392.268 4.026 10 1 GICF Cc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823210 SRWCNDGPTMLEDR-NIVTXAMTSA-N 380.257 4.106 10 1 GICF O=C1O/C(=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2ccccc21 586906031 GZZHRPXXMBSEHN-WOJGMQOQSA-N 392.370 4.007 10 1 GICF COc1cc(OC)c([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1OC 96938902 UAEDBZVIMWNWFP-SFHVURJKSA-N 378.428 4.010 10 1 GICF CCOc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800070 FINTYEYVYDICCZ-WLRWDXFRSA-N 394.284 4.490 10 1 GICF O=C1C[C@H](c2ccc(O)c(O)c2)c2c(C=Cc3ccc(O)cc3)cc(O)cc2O1 2356414017 NUAVFMGJHRKKIX-GOSISDBHSA-N 390.391 4.120 10 1 GICF Cc1ccc2c(c1O)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587830170 BPURLQIVBOKRDH-WLRWDXFRSA-N 376.269 4.326 10 1 GICF Cc1cc(C=O)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823802 WDCRZULOZMZVFG-QGHHPUGFSA-N 378.241 4.038 10 1 GICF Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(C)cc3)NC2=O)cc1 64503443 OORVTADXZSHGNW-CJLVFECKSA-N 395.462 4.278 10 1 GICF COc1ccc(-c2c(O)c(O)c(-c3ccc(OC)cc3)c(OC)c2OC)cc1 1857763788 JOVXGJFDWIAZDW-UHFFFAOYSA-N 382.412 4.466 10 1 GICF CN1CCN(C2=NC(=O)/C(=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)S2)CC1 96174737 UWWASVHVWAWYRH-RGEXLXHISA-N 399.604 4.499 10 1 GICF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(CO)cc(OC)c12 6031635 UORJGZQGXAWGDM-ZIAGYGMSSA-N 393.483 4.317 10 1 GICF biogenic COc1cc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(O)c1O 587786740 WKLQOCLQXLLAOK-NSCUHMNNSA-N 397.175 4.194 10 1 GICF CC(C)n1c(O)c(/N=N/C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 101718830 BLBQKWDLBJJCAD-QURGRASLSA-N 379.342 4.454 10 1 GICF Cc1cc(C=O)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823800 WDCRZULOZMZVFG-DYZYQPBXSA-N 378.241 4.038 10 1 GICF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCCCC2)cc1 169331068 DQYGQONIKXVDFR-UHFFFAOYSA-N 396.922 4.470 10 1 GICF C[C@H]1C[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2c(O)c(Cl)cc(Cl)c21 962911141 PAECJTBCNZOGDY-PBQKCTLRSA-N 396.245 4.188 10 1 GICF Cc1cc(O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 84603499 MZLPSUVHDZWHFV-UHFFFAOYSA-N 387.439 4.361 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CCO)cc3[nH]1)[C@H]1CC=C[C@H]21 587276537 LPHDODWZUCPWEB-QYWGDWMGSA-N 390.443 4.141 10 1 GICF Oc1ccc(Cl)c2c1CN[C@H](CN1CCC3(CCc4ccccc43)CC1)C2 137466734 HBTHUUQDNVQVHD-KRWDZBQOSA-N 382.935 4.040 10 1 GICF O=C(O)[C@@H]1CCCN(CCOCCc2cccc(/N=N\c3ccccc3)c2)C1 299835033 VGZLTSKIWGVWCM-QNBCRBJRSA-N 381.476 4.458 10 1 GICF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cn1 96173038 ASDFDGHLPCKJIA-MRXNPFEDSA-N 380.488 4.221 10 1 GICF COc1cc2c3c(oc2c2cc(C)cc(O)c12)C(=O)c1c(O)cc(C)cc1C3=O 13334192 UXSNCWGPJRPDHI-UHFFFAOYSA-N 388.375 4.398 10 1 GICF biogenic O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc(Cl)cc3)c12 72171022 QOHFJYWSBIIJEG-UHFFFAOYSA-N 384.771 4.295 10 1 GICF COc1cc(C)cc2c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)[C@H]4O)ccc(O)c12 2356730317 XRHFMLAUKWOBHQ-UAGWRWDDSA-N 379.456 4.321 10 1 GICF CCCn1cc2c3c(cccc31)C[C@@H](N(C)CCC(=O)NC1CCCCC1)C2 26579674 WUPYPLYRXMHSRO-OAQYLSRUSA-N 381.564 4.289 10 1 GICF CCOC(=O)Cn1c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389731 JBJRWDJMXKIJSV-HXUWFJFHSA-N 392.455 4.110 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(Cl)c2)N1 587691047 BKVLNPVXZBJRCE-NZFNHWASSA-N 386.648 4.276 10 1 GICF Cn1ccc2ccc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)cc21 140202596 PSCLBKFDFGGCSX-UHFFFAOYSA-N 392.466 4.182 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(Cl)c2)N1 587693145 MDASGMFJCFIXSR-KWKYVRJSSA-N 386.648 4.276 10 1 GICF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H]1CO 95797648 PWCJQSNTMVGNNT-WTIAFYNJSA-N 380.532 4.144 10 1 GICF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cn1 587276274 KAPDIRPTRSXIGB-VLXJIEOASA-N 377.404 4.010 10 1 GICF Oc1ccc(C[C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1O 962950219 CKUVNZAJDRFLFT-QGZVFWFLSA-N 393.405 4.052 10 1 GICF O=C1c2ccccc2C(=O)c2cc3oc(Cc4ccc(F)cc4F)nc3cc21 299828483 RJCJZVYBTIBJQS-UHFFFAOYSA-N 375.330 4.472 10 1 GICF CC(C)[C@]1(C2C(=O)c3ccccc3C2=O)c2c(F)cccc2C[C@H]2CCCN21 963110857 VTWBWGXOVGKXHV-VOIUYBSRSA-N 377.459 4.393 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(F)F)cc3)C2)cc1 1772647048 QHOLCPDEBVLBEW-XOBRGWDASA-N 390.430 4.143 10 1 GICF O=S(=O)(Cc1ccccc1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 102611739 QCYHHIRMXXZLMS-HNENSFHCSA-N 394.250 4.250 10 1 GICF COc1cc2c3c(n(Cc4ccccc4)c(=O)c2cc1OC)-c1ccccc1C3=O 1660411 VSJHTBREBCSWSI-UHFFFAOYSA-N 397.430 4.278 10 1 GICF Oc1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c(O)cc1Br 963102535 KPOKLQURJGBBSU-ZMZPIMSZSA-N 378.241 4.109 10 1 GICF O=C(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1cccc(C(F)(F)F)c1 45209693 CGFPPZREDAACJD-GOSISDBHSA-N 392.421 4.196 10 1 GICF CON(C)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 13734173 BOYUPSDAYQVTDE-PTNGSMBKSA-N 376.522 4.451 10 1 GICF CC(C)n1c(O)c(N=NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 253977823 QTCCUPXMJOJMJL-UHFFFAOYSA-N 392.459 4.287 10 1 GICF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801546 LOIOEMZIUDXKGJ-MLCYQJTMSA-N 380.257 4.316 10 1 GICF O=C(N=Nc1c(O)[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 617960329 NMHNBXQCEYQHLS-UHFFFAOYSA-N 377.187 4.429 10 1 GICF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(O)cc(C(=O)O)c1 587926338 MUUBNSHRHBIXLO-UHFFFAOYSA-N 385.803 4.219 10 1 GICF Oc1ccc(C[C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1O 962950217 CKUVNZAJDRFLFT-KRWDZBQOSA-N 393.405 4.052 10 1 GICF CNc1ccc2c(Nc3ccc(S(=O)(=O)O)cc3)c3ccccc3nc2c1 169322399 FPFOILCOGUBQTL-UHFFFAOYSA-N 379.441 4.420 10 1 GICF CC(=O)C[C@]1(c2ccccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587826512 AVRMEDWRJRSPSM-NSPYISDASA-N 392.268 4.051 10 1 GICF CN(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 473090876 AYYXWVFJMMNUAW-KRWDZBQOSA-N 377.307 4.294 10 1 GICF COc1ccc(N(C)Cc2coc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 72183257 WWSAOMVXKUFXMW-UHFFFAOYSA-N 384.432 4.012 10 1 GICF Fc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCO5)CC3)c2c1 13582481 AMIPACMJPDEFPD-UHFFFAOYSA-N 395.478 4.181 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(F)c2O)N1 587714307 FBIUJTUIHWGZEV-WNWIJWBNSA-N 386.211 4.370 10 1 GICF CCc1cc(OC)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809868 VNMUSKDDCVANRN-MGNBDDOMSA-N 394.284 4.488 10 1 GICF COc1ccc2[nH]c(CN(C)c3ccc(Cl)cc3)c(CCNC(C)=O)c2c1 43020442 CZUCQFZBDAJPKO-UHFFFAOYSA-N 385.895 4.145 10 1 GICF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1F 1772598366 RMRJQUIOKPPLNI-YWZLYKJASA-N 386.467 4.079 10 1 GICF Oc1ccc2nc(-c3cccc(F)c3)[nH]c2c1CN1CCC(N2CCCC2)CC1 45196378 GRYGKFFPIUFDMO-UHFFFAOYSA-N 394.494 4.135 10 1 GICF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(O)c(O)c1 587857847 AONHBDMNKKPQME-UHFFFAOYSA-N 393.226 4.355 10 1 GICF COc1ccc([C@H]2CC(=O)N(Cc3ccc(N)cc3)C2)cc1OC1CCCC1 598376 DBRURKICGBSTER-SFHVURJKSA-N 380.488 4.115 10 1 GICF CCN1CCN(CCCNc2c3ccc(Cl)cc3nc3ccc(O)cc23)CC1 45301448 VXSCPWBXAVWUJS-UHFFFAOYSA-N 398.938 4.187 10 1 GICF CC1=NN(C(=O)CCc2ccccc2)[C@@H](c2cc(Br)ccc2O)C1 653718479 DWEHGDNKIVQURS-QGZVFWFLSA-N 387.277 4.437 10 1 GICF O=C1O/C(=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2ccccc21 586906032 GZZHRPXXMBSEHN-WQRHYEAKSA-N 392.370 4.007 10 1 GICF Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(F)c2)N1 53365040 NYBCEKXAQXDDCF-CVDCTZTESA-N 390.414 4.483 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(F)c2O)N1 587714301 FBIUJTUIHWGZEV-CQLKUDPESA-N 386.211 4.370 10 1 GICF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1O 28820598 RUAGBHADWZJCJI-JTQLQIEISA-N 399.299 4.090 10 1 GICF COc1cc(O)c2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587810457 SSZMTJFFUDJSLQ-OVWNDWIMSA-N 392.268 4.026 10 1 GICF CCCCCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 29242575 OSNOAALWVYINIX-UHFFFAOYSA-N 378.520 4.282 10 1 GICF CNc1cccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587388069 VHLDDASTIDKECA-DEOSSOPVSA-N 384.435 4.072 10 1 GICF CCC(=O)N[C@H](c1cccs1)c1cc(Br)c2cccnc2c1O 36380876 PWAWPOAPHIPMNC-HNNXBMFYSA-N 391.290 4.380 10 1 GICF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccccc3O)C[C@@H]1O2 95557756 HFHNVSAKEJJTBA-ZJTDPSCFSA-N 381.472 4.024 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CCO)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276541 LPHDODWZUCPWEB-ZOCZFRKYSA-N 390.443 4.141 10 1 GICF Nc1ccc(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1 45506385 YLYRPYGRRKBVPO-UHFFFAOYSA-N 393.454 4.262 10 1 GICF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1 2936913 DCUHKMMUVVQPLV-AUSIDOKSSA-N 390.414 4.234 10 1 GICF O=C(CCSC(=S)NCc1cccnc1)c1cn(C2CC2)c2ncccc12 1857611591 BGUDANOYUOLDLI-UHFFFAOYSA-N 396.541 4.147 10 1 GICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(N)cccc23)cc1 5138685 MMXWNPLJMLKJJI-UHFFFAOYSA-N 378.457 4.085 10 1 GICF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805427 FAMDJVFKRBZVDI-MGNBDDOMSA-N 380.257 4.100 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Cl)c[nH]c-3n1)[C@@H]1CC=C[C@H]21 587271816 JDDHRSCEPDCWQQ-RWSFTLGLSA-N 382.811 4.001 10 1 GICF COC(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587243901 TVOSSLIHWZURFY-UHFFFAOYSA-N 397.390 4.184 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN3C)N1 587766915 OWSICFCCWJUXLY-WLRWDXFRSA-N 375.285 4.204 10 1 GICF CC(C)n1c(O)c(/N=N\C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 6171676 BLBQKWDLBJJCAD-DQRAZIAOSA-N 379.342 4.454 10 1 GICF CN(C)c1ccc(/C=C2\SC(=S)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 103167724 LWJCBOZMYCKDTO-BOPFTXTBSA-N 394.525 4.030 10 1 GICF Cc1cc2c(cc1F)[C@]1(C[C@H](C)c3c(Br)ccc(O)c31)NCC2 962090256 HXNSZUFDPXJRGF-WLRWDXFRSA-N 376.269 4.499 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1 1772583143 MJHBKHWHZRMWAK-SBUREZEXSA-N 394.515 4.391 10 1 GICF c1cc(NCC2CC2)cc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685241 CELXFPRIMWQGID-BYCLXTJYSA-N 384.447 4.316 10 1 GICF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)OCCc1ccc(N)cc1 56727920 VUMBHSIUPKOPEK-CZYKHXBRSA-N 398.934 4.274 10 1 GICF O=C(c1ccncc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28461661 MWYLCGMRPWWKMU-ORCRQEGFSA-N 384.391 4.148 10 1 GICF CN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)N(c2cccc3ccccc23)C1=O 29127486 IBLPGSPXWXVJAM-UYRXBGFRSA-N 395.418 4.330 10 1 GICF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O)c(O)c1)-c1ccccc1C3=O 586992258 SVALYOWITRUIIJ-UHFFFAOYSA-N 383.403 4.462 10 1 GICF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OCCC(C)C 26378702 APYKEPODUSPZGP-UHFFFAOYSA-N 386.400 4.010 10 1 GICF Cc1c(CN2CCN(C)CC2)cc(-c2ccccc2F)n1-c1ccc(F)cc1 36471942 UYNMCSUNBARPIQ-UHFFFAOYSA-N 381.470 4.478 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)O)c3[nH]1)[C@H]1CC=C[C@H]21 587275575 DTWGVRKNCNNXLY-JMERFSKESA-N 390.399 4.304 10 1 GICF COc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804708 BQKILWLSPSGTIQ-YPMLDQLKSA-N 380.257 4.100 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)cc2O)N1 587692520 KZBHPYRGOGZFSO-VGDKGRGNSA-N 386.648 4.276 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN3C)N1 587767508 REFBQCKMTIKGRL-NSPYISDASA-N 375.285 4.204 10 1 GICF COc1ccc2nc3cc(Cl)ccc3c(NCCCCN3CCNCC3)c2c1 45191467 YKRJIEXHLZXXFO-UHFFFAOYSA-N 398.938 4.147 10 1 GICF CCOC(=O)c1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1 103225975 SXXDFJYDVCUEKA-UHFFFAOYSA-N 378.476 4.256 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CCC4)cc3)C2)cc1 1772599147 DZXWZXOIQLPNPL-XDHUDOTRSA-N 394.515 4.473 10 1 GICF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C(=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169684296 SQRFIBPVFHDSJA-YZIIXHOYSA-N 387.564 4.308 10 1 GICF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)cc3nc12 26848505 BQVQUFHJKYRESG-UHFFFAOYSA-N 392.484 4.394 10 1 GICF O=C(O)[C@H]1CCCN(CCOCCc2cccc(/N=N/c3ccccc3)c2)C1 299835034 VGZLTSKIWGVWCM-SMIQVMJNSA-N 381.476 4.458 10 1 GICF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801839 NZHQEWSBPOJOCK-WLRWDXFRSA-N 394.284 4.490 10 1 GICF COc1ccc(CNc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc23)cc1 58592415 GBXLDYGXLBAONH-UHFFFAOYSA-N 389.411 4.034 10 1 GICF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(O)c2ncccc12 96934548 MVOQTAHXMJGIBA-BWKNWUBXSA-N 397.430 4.198 10 1 GICF COc1cc(C)cc2c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)[C@H]4O)ccc(O)c12 2356730318 XRHFMLAUKWOBHQ-UTWWPYJBSA-N 379.456 4.321 10 1 GICF O=C1N=C(NCCc2ccccc2F)S/C1=C\c1ccc2ncccc2c1 28821281 STXWTJXGSSNHTL-UYRXBGFRSA-N 377.444 4.177 10 1 GICF CC(=O)OC1CCN([C@H](c2ccncc2)c2c(O)ccc3ccccc23)CC1 72181114 IUNJNJLAQZONJW-HSZRJFAPSA-N 376.456 4.057 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OCCN3C)N1 587769927 BTWPJZUBEMSCCY-WYRIXSBYSA-N 391.284 4.040 10 1 GICF C[C@@H]1Oc2c(c3c(c4oc5c(O)c(O)ccc5c(=O)c24)C(C)(C)[C@@H](C)O3)C1(C)C 14686348 YOOLRLCJQJIYEG-VHSXEESVSA-N 396.439 4.474 10 1 GICF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Cl)c[nH]c-3n1)[C@@H]1CC=C[C@@H]21 587271813 JDDHRSCEPDCWQQ-HFAKWTLXSA-N 382.811 4.001 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)cc2O)N1 587696291 SWCFNHTVACSPPM-HYORBCNSSA-N 386.648 4.276 10 1 GICF CC(C)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962966470 MJZHWCMPLUMYIF-PBHICJAKSA-N 381.806 4.136 10 1 GICF CC(C)=CCOc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3)C2)c(O)c1 64512084 GAOGESXCMYFFQR-LJQANCHMSA-N 381.501 4.132 10 1 GICF CC(C)c1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)n[nH]1 617960123 QWOHFEXCZANGKK-UHFFFAOYSA-N 376.214 4.407 10 1 GICF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@@H]1C[C@H]2C=C[C@@H]1C21CC1 12451899 RGFYYSAZVKHFLW-SXLOBPIMSA-N 375.468 4.480 10 1 GICF O=C1C(=O)c2c(nc3ncnn3c2-c2ccc(Cl)cc2Cl)-c2ccccc21 96917768 XAEARJGZPLXUKR-UHFFFAOYSA-N 395.205 4.144 10 1 GICF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N=[N+]=[N-])CC2 653850797 DERGXRKHZDDPAH-AWEZNQCLSA-N 383.404 4.046 10 1 GICF CCN(CC)CCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12 5807586 YUXSIPUVVAIXPX-UHFFFAOYSA-N 382.464 4.449 10 1 GICF COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(OC)c1O 587786500 UYHZSKCDGSYAHI-UHFFFAOYSA-N 377.400 4.327 10 1 GICF Cc1cccc(OC[C@]2(c3ccc(O)cc3O)NCCc3cc(C)c(F)cc32)c1 962141112 BHPJSXGMILGEPB-XMMPIXPASA-N 393.458 4.322 10 1 GICF O=c1oc(C=Cc2ccc(O)c(O)c2)cc2oc(-c3ccc(O)c(O)c3)cc12 2356431965 LYKVAAQTDREPSC-UHFFFAOYSA-N 378.336 4.046 10 1 GICF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@H]1C[C@H]2C=C[C@H]1C21CC1 253683740 RGFYYSAZVKHFLW-MISYRCLQSA-N 375.468 4.480 10 1 GICF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@@H]1C[C@H]2C=C[C@H]1C21CC1 253683731 RGFYYSAZVKHFLW-DFQSSKMNSA-N 375.468 4.480 10 1 GICF O=C1NC(=S)N=C(O)/C1=C\c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 73139398 NKTYXKDVJOPUEB-UHFFFAOYSA-N 381.844 4.243 10 1 GICF CC1CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)CC1 45494986 OIJXSDZXXRNJQM-HSZRJFAPSA-N 394.559 4.111 10 1 GICF NC(=O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(Cl)cc2)c[nH]1 587637516 AZWCKDLKFIBJLY-UHFFFAOYSA-N 379.803 4.281 10 1 GICF Cc1cc2c(cc1F)[C@@]1(C[C@@H](C)c3c(Br)ccc(O)c31)NCC2 962090252 HXNSZUFDPXJRGF-NSPYISDASA-N 376.269 4.499 10 1 GICF C[C@@]1(CCc2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605921 BTNHXTKHLDMHBH-OFNKIYASSA-N 392.407 4.157 10 1 GICF COc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587810364 WWYYJCPBMIMCMR-XTZNXHDOSA-N 380.257 4.100 10 1 GICF CCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 26377907 UJNMXWCGAUALEW-UHFFFAOYSA-N 386.400 4.154 10 1 GICF Oc1ccccc1CN1CCOC[C@@H]1c1ncc(-c2ccc(Cl)s2)[nH]1 2356299161 ADTGGCMVMZQTQJ-CQSZACIVSA-N 375.881 4.071 10 1 GICF CCC[N@+]1(C)CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 253806697 ODAZWJAXDUSDPO-XMMPIXPASA-O 382.480 4.334 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(F)c2O)N1 587714480 AADRTLJMEKUQEQ-QPFGOUBPSA-N 386.211 4.370 10 1 GICF CC(C)c1cccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962966476 MJZHWCMPLUMYIF-RHSMWYFYSA-N 381.806 4.136 10 1 GICF COc1cc(O)c2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587809666 RFDSWKKGZOJCLG-OVWNDWIMSA-N 392.268 4.026 10 1 GICF Cc1c(C)c2c(c(NC(=O)/C=C/c3ccc(O)c(O)c3)c1O)CCC(C)(C)O2 28567115 KAOOJUFCGKUZOM-SOFGYWHQSA-N 383.444 4.176 10 1 GICF COc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587810366 WWYYJCPBMIMCMR-YPMLDQLKSA-N 380.257 4.100 10 1 GICF CC[C@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587809392 QCIFUZZCTKWDPE-NSPYISDASA-N 394.284 4.490 10 1 GICF O=S(=O)(O)c1cc(O)c(NCc2c(O)ccc3ccccc23)c2ccccc12 13864586 SUFNGCYYTOFQKY-UHFFFAOYSA-N 395.436 4.263 10 1 GICF c1nc(CC2CCN(CCCOc3ccc(N4CCCCC4)cc3)CC2)c[nH]1 28570613 ZNRHTIOVOPWMFW-UHFFFAOYSA-N 382.552 4.124 10 1 GICF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772619427 RUEPHFBXOHVQKS-GAJHUEQPSA-N 382.504 4.330 10 1 GICF O=C(OCc1ccccc1)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49068034 OCQZLJSJWBLRML-UHFFFAOYSA-N 379.777 4.231 10 1 GICF O=C(Nc1cccc(C(=O)C(=O)c2ccccn2)c1)c1ccc(C(F)(F)F)cc1 66258282 GLCQEOZJIBWSEY-UHFFFAOYSA-N 398.340 4.418 10 1 GICF CN(C)c1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205481578 DAYMTJNYBDKVID-UHFFFAOYSA-N 386.377 4.173 10 1 GICF Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cccc1[N+](=O)[O-] 587261037 QHFFEBOITWXNTR-UHFFFAOYSA-N 383.363 4.222 10 1 GICF COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1C 1772579121 AIRBKICHIYLWQO-NRFANRHFSA-N 387.439 4.096 10 1 GICF O=C(C(=O)c1cc(Br)cs1)c1cc(Br)cs1 13671725 OETIZXGALYTAHK-UHFFFAOYSA-N 380.082 4.400 10 1 GICF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cn1 587276276 KAPDIRPTRSXIGB-WTOJCKNJSA-N 377.404 4.010 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2O)N1 587776457 CWLSRIQGMVUFSC-MLCYQJTMSA-N 387.252 4.466 10 1 GICF COc1cc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)cc(O)c1O 587786375 SURMZILFSWTOMY-IHWYPQMZSA-N 379.185 4.055 10 1 GICF [N-]=[N+]=NCCOCCOCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 222403672 QMSLHBSGYVBCGY-UHFFFAOYSA-N 395.415 4.182 10 1 GICF CCN(CC)c1ccc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731004 PVXVVIHKKGUXPB-CTNGQTDRSA-N 390.449 4.442 10 1 GICF O=C1NC(=S)/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S1 299835998 XNASGCXERIGZGC-ZCQLHAAUSA-N 381.482 4.169 10 1 GICF CN1CCN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1 12353858 DGNQTZLLWXMKLT-AREMUKBSSA-N 399.538 4.296 10 1 GICF NC(=O)N1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 26844380 LLDFHFQSCAKLEJ-UHFFFAOYSA-N 397.482 4.332 10 1 GICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cnc2ccccc2c1 96934684 VOAMKHPAWRGBDC-RCZVLFRGSA-N 381.431 4.493 10 1 GICF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)cc1 169334184 PJFGHQSUZHTFMM-UHFFFAOYSA-O 392.504 4.323 10 1 GICF CNCc1ccc(CCc2c(C=Cc3ccc(O)c(O)c3)ccc(O)c2O)cc1 2356501808 NKWJLYXLHKAGQA-UHFFFAOYSA-N 391.467 4.184 10 1 GICF CNc1nc2sc(-c3ccc(N4CC=CCC4)cc3)nc2c2c1ncn2C 96258298 XOTPQMVSZWZHIW-UHFFFAOYSA-N 376.489 4.053 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(O)c(O)c2)N1 587821536 ISTYGWRNKWRJBQ-JEOXALJRSA-N 394.284 4.382 10 1 GICF COc1ccc(N2CCN(CCc3c(C)n4c5c(cccc35)CCC4)CC2)cc1 13740403 JCNLUJAWRWVEID-UHFFFAOYSA-N 389.543 4.269 10 1 GICF O=C(Nc1ccccc1)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26747743 IOJJKKHGTHSHRW-UHFFFAOYSA-N 394.519 4.228 10 1 GICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3NC3CC3)cc2n1CC(F)(F)F 220099213 IDKGCRPEKIDKLN-UHFFFAOYSA-N 399.376 4.076 10 1 GICF O=C(O)[C@H]1CCCN(CCOCCc2cccc(/N=N\c3ccccc3)c2)C1 299835032 VGZLTSKIWGVWCM-OAFDPHIXSA-N 381.476 4.458 10 1 GICF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccc(OCC)cc3)C1)CC2=O 587479748 USCBMOCAJXXGSJ-QHCPKHFHSA-N 381.472 4.358 10 1 GICF C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Oc2ccccc2)c1 43075843 CECXAXJMMNBDRN-INIZCTEOSA-N 377.440 4.353 10 1 GICF COc1ccc(N2CCN(CC3=NOC(C)(C)C[C@@H]3c3ccccc3)CC2)cc1 473081659 CTYTWVYNLUZWIC-JOCHJYFZSA-N 393.531 4.156 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Cl)c[nH]c-3n1)[C@H]1CC=C[C@@H]21 587271817 JDDHRSCEPDCWQQ-ZETOZRRWSA-N 382.811 4.001 10 1 GICF COc1cc(O)c2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587810449 SSZMTJFFUDJSLQ-DGIBIBHMSA-N 392.268 4.026 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N(C)C)cc2)N1 587759048 ZYRCFJBHXDWQBG-BUXKBTBVSA-N 377.301 4.452 10 1 GICF CCOC(=O)c1ccc(Nc2cc(O)c(/N=N/C(=N)N)c3ccccc23)cc1 169720916 UJZKFMNTXQFDSP-OCOZRVBESA-N 377.404 4.443 10 1 GICF CC[C@@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587809397 QCIFUZZCTKWDPE-WYRIXSBYSA-N 394.284 4.490 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3F)C2)cc1 1772624452 KSXCNIJCHQJGAZ-BTYIYWSLSA-N 398.478 4.222 10 1 GICF COc1ccc(N2CCN(C(=S)Nc3ccccc3Cl)C[C@H]2C)cc1 45337341 BAKGLGYKRRYTED-CQSZACIVSA-N 375.925 4.256 10 1 GICF COc1nccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c12 587277250 RJSSDGBHRZNREG-OGHNNQOOSA-N 377.404 4.010 10 1 GICF O=C1CC2(CCN(c3ccc4c(c3)OCO4)CC2)Oc2c1ccc1c2CCCC1 587514331 NUEQNHMGGWGZBP-UHFFFAOYSA-N 391.467 4.299 10 1 GICF O=[N+]([O-])c1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(O)c([N+](=O)[O-])c1 962657414 BMFKBOOYUFFAAN-HXUWFJFHSA-N 391.383 4.111 10 1 GICF Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=S)c1ccccc1 14945535 MUASSOXJDXNHOV-UHFFFAOYSA-N 393.418 4.192 10 1 GICF COc1ccc(SCc2nc3c(Cn4ccnc4C)c(O)ccc3n2C)cc1 64560741 LKGITOLBSOFGCF-UHFFFAOYSA-N 394.500 4.133 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)O)c3[nH]1)[C@@H]1CC=C[C@H]21 587275583 DTWGVRKNCNNXLY-QUJCMNEKSA-N 390.399 4.304 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275586 DTWGVRKNCNNXLY-VPZZIHKRSA-N 390.399 4.304 10 1 GICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cncc2ccccc12 96934687 GPTBAYVRVKKMTC-RCZVLFRGSA-N 381.431 4.493 10 1 GICF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OC4CCC4)cc3)C2)cc1 149625907 ZPXSXNHAWSABQO-KRWDZBQOSA-N 378.516 4.289 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN3C)N1 587766916 OWSICFCCWJUXLY-WYRIXSBYSA-N 375.285 4.204 10 1 GICF COc1ccc2nc(NCCc3cc[n+](Cc4ccccc4)cc3)sc2c1 1772599104 MGDTVQGTXWJCKH-UHFFFAOYSA-N 376.505 4.295 10 1 GICF O=C(OC/C=C/c1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735450 UVAWSHXHDMJZMQ-QPJJXVBHSA-N 391.423 4.286 10 1 GICF CCOc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587801788 NMBNHOWLKVUHKG-WYRIXSBYSA-N 394.284 4.490 10 1 GICF CCn1cc(C(=O)O)c(=O)c2cc(F)c(/N=N/Cc3ccccc3[N+](=O)[O-])cc21 169688289 AMYDSXRUDITHPE-QURGRASLSA-N 398.350 4.051 10 1 GICF COc1cc(CO)c(-c2ccc3c(c2O)[C@@H](C)N[C@@H](C)C3)c2cccc(O)c12 15121573 ZQSUAGVTKAZDJV-QWHCGFSZSA-N 379.456 4.014 10 1 GICF biogenic CC1=NN(C(=O)CCc2ccccc2)[C@H](c2cc(Br)ccc2O)C1 653718478 DWEHGDNKIVQURS-KRWDZBQOSA-N 387.277 4.437 10 1 GICF O=S(=O)(O)c1ccc(/N=N/c2nc(C(F)(F)F)c(C(F)(F)F)[nH]2)cc1 17176269 HLYCSXLSVNEJJL-QZQOTICOSA-N 388.249 4.109 10 1 GICF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823911 XECIEJUPRTVEGE-XTZNXHDOSA-N 380.257 4.106 10 1 GICF CC(C)N(CCOc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O)C(C)C 28713992 GZOJTMSHFBQNAX-UHFFFAOYSA-N 392.455 4.101 10 1 GICF COc1cccc2c1C(=O)c1c(ccc3c(=O)cc(-c4ccccc4)oc13)C2=O 29038290 AILBUWQLFCJFTO-UHFFFAOYSA-N 382.371 4.244 10 1 GICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)N(C)C)cc3)C2)cc1 96172863 XPEZZDDWXCMZNS-GOSISDBHSA-N 396.531 4.325 10 1 GICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)O2 587391866 ZPWKIMRBMGOUJE-NRFANRHFSA-N 390.439 4.389 10 1 GICF COc1cccc2cc3c(nc12)[C@@H](c1cc2c4c(c1)CCCN4CCC2)NCC3 963028041 BMLVPPOAEAOXOP-HSZRJFAPSA-N 385.511 4.177 10 1 GICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(O)c1 5138657 BQGVCWLQFXUBCI-UHFFFAOYSA-N 379.441 4.209 10 1 GICF COc1cc2c(cc1OC)[C@@](C)(c1cc(C)c3c(c1O)CCC3)N(C)[C@@H](C)C2 962627000 GKJYRHBBTAZNAS-OWJWWREXSA-N 381.516 4.346 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(Cl)[nH]c-3n1)[C@H]1CC=C[C@@H]21 587272992 YFIQSEQHPMSKET-ZETOZRRWSA-N 382.811 4.001 10 1 GICF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(F)c(F)c4)ncnc32)c1 169685259 JYUPTOZKBVJYPM-SHHOIMCASA-N 380.358 4.386 10 1 GICF Cc1cc2c(cc1C)-c1oc(C(=O)NCc3ccc(F)cc3)c(C)c1C(=O)C2=O 1857745506 MXQOXRRFDDCKAS-UHFFFAOYSA-N 391.398 4.320 10 1 GICF COc1cc(O)c2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587809654 RFDSWKKGZOJCLG-DGIBIBHMSA-N 392.268 4.026 10 1 GICF CCOC(=O)c1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 1857757526 XBICMYYDGUZBGV-VBKFSLOCSA-N 388.345 4.212 10 1 GICF Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 40936927 WVJGRHKEBHLVBA-UHFFFAOYSA-N 384.301 4.107 10 1 GICF O=C(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1cccc(C(F)(F)F)c1 45209689 CGFPPZREDAACJD-SFHVURJKSA-N 392.421 4.196 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3)C2)cc1 1772616024 MNMXUQUPTVVCBE-HJPURHCSSA-N 380.488 4.083 10 1 GICF COc1ccc2c(c1O)[C@H](CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 13304750 VOXDZHCZJPMHQS-KRWDZBQOSA-N 391.423 4.420 10 1 GICF biogenic COc1ccc(Nc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc23)cc1 58581006 HMYFIZXMDGCPCJ-UHFFFAOYSA-N 375.384 4.166 10 1 GICF C[C@@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1ccc(N2CCCCC2)cc1 218481202 YXTHNONOTJBSFP-MRXNPFEDSA-N 395.507 4.375 10 1 GICF O=C1C(=Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 204634767 TTYYEWQZVMRWHO-UHFFFAOYSA-N 396.446 4.261 10 1 GICF CC(=O)C[C@@]1(c2ccccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826513 AVRMEDWRJRSPSM-WLRWDXFRSA-N 392.268 4.051 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc4oc(=O)ccc4c3)nc21 586918243 MEEADGPYPIFZFY-UHFFFAOYSA-N 392.370 4.112 10 1 GICF Cc1cc(C2(c3cc(C)c(N)c(C)c3)C(=O)c3ccccc3C2=O)cc(C)c1N 98082694 VLDJNSTVLIWBGQ-UHFFFAOYSA-N 384.479 4.450 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4cn[nH]c4cc3[nH]1)[C@@H]1CC=C[C@H]21 587275301 BNKLMCSPWCELNP-MNVSYLFESA-N 386.415 4.482 10 1 GICF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1Cl 1772594323 VIGUHPDIHJKLCJ-HXUWFJFHSA-N 377.831 4.432 10 1 GICF Cc1ccc(C(=O)Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)s1 28764799 QGRQRIMBNZSYJD-UHFFFAOYSA-N 399.560 4.206 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN3C)N1 587767510 REFBQCKMTIKGRL-WYRIXSBYSA-N 375.285 4.204 10 1 GICF CC(C)N[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 2356529366 DGFMGTLKHVREOL-ZPDADZDASA-N 387.520 4.263 10 1 GICF C[C@H](CC(=O)N(C)C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1 96172864 JCWZNVSEEBKQAW-QGZVFWFLSA-N 394.515 4.077 10 1 GICF Nc1ccc(Oc2ccc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3c2)cc1 587118512 NVDZEVFTSHIXMB-UHFFFAOYSA-N 387.365 4.395 10 1 GICF Cc1c([C@]2(C)c3ccsc3CCN2Cc2ccco2)[nH]c2cc(O)nc(O)c12 962701043 CRVASYZEPQELKR-NRFANRHFSA-N 395.484 4.259 10 1 GICF COc1cc([C@H]2Oc3c(ccc4ccccc34)C(=O)C2=O)ccc1N1CCCC1 957747939 SBRUYIMANOFEMT-HSZRJFAPSA-N 387.435 4.334 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(F)c2O)N1 587714303 FBIUJTUIHWGZEV-QPFGOUBPSA-N 386.211 4.370 10 1 GICF O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc2cnc(Cl)cc12 14973469 CJELXBBEUQTCAT-UHFFFAOYSA-N 396.878 4.047 10 1 GICF Nc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)cc2)cc1 35015269 MQDQSJHQEJVZKU-INIZCTEOSA-N 393.487 4.181 10 1 GICF COc1cc(/C=C/c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(O)c1O 587785418 LQSQLFHXHCNJQP-JXMROGBWSA-N 386.407 4.384 10 1 GICF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OC4CCC4)cc3)C2)cc1 149626093 ZPXSXNHAWSABQO-QGZVFWFLSA-N 378.516 4.289 10 1 GICF CC1(C)OC(=O)C(=CNc2cccc(-c3nc4ccccc4s3)c2)C(=O)O1 49013915 UZIRVOZNNDDYEZ-UHFFFAOYSA-N 380.425 4.095 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@](F)(Cl)C(F)(F)F)[nH]c21 587089653 FQURIODAOZMCNA-INIZCTEOSA-N 382.700 4.262 10 1 GICF CC(C)(C)c1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(O)c1 962767760 QTMYZCMCQBKXRJ-WMZOPIPTSA-N 377.406 4.425 10 1 GICF CC(=O)C[C@]1(c2ccccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834574 SFWWXHBPSUAGDG-JEOXALJRSA-N 392.268 4.051 10 1 GICF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2 100646715 VUMBHSIUPKOPEK-LRSLUSHPSA-N 398.934 4.274 10 1 GICF CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772616502 MLEQBAYGEIWNMU-MGPUTAFESA-N 386.467 4.079 10 1 GICF CN(C)c1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 13123769 QYGLWSRZYBNNOY-ZKNVBRJYSA-N 390.483 4.332 10 1 GICF CN1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@@H]4CCCC[C@@H]4O3)cc21 261072781 AKAZQQQRHQNSNR-WVBUVRCRSA-N 382.529 4.337 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c(F)c2)N1 587726250 WKWWLJRUIZAXGB-MLCYQJTMSA-N 381.264 4.417 10 1 GICF [N-]=[N+]=NCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587509856 JYBUBSHBXBHWNI-JOCHJYFZSA-N 388.427 4.083 10 1 GICF COc1ccccc1CNC(=S)SCc1nc(O)c2cc(C)sc2n1 1857633746 PPWYVEHFZGUVOV-UHFFFAOYSA-N 391.543 4.022 10 1 GICF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(N3CCCCC3)ccc21 28964686 SVYGRCSOIPQXGO-HXUWFJFHSA-N 375.476 4.362 10 1 GICF in-vivo CC(C)c1ccc([C@]2(c3ccc(O)c(O)c3O)OC(=O)c3ccccc32)cc1 103191037 GCNFYYVRDJMNGM-QHCPKHFHSA-N 376.408 4.389 10 1 GICF COc1ccc2c(c1)[C@H](c1cc(Cl)cc([N+](=O)[O-])c1O)N(C(C)C)CC2 962094717 WYWZIOLGEZRAJN-GOSISDBHSA-N 376.840 4.318 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2O)N1 587776459 CWLSRIQGMVUFSC-YPMLDQLKSA-N 387.252 4.466 10 1 GICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N3CCN(CC)CC3)cc2)N1 962963775 XAQZDMSIGFBHMA-DVECYGJZSA-N 388.559 4.324 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(F)c2O)N1 587722903 UFYDSPQNSFPSCA-WNWIJWBNSA-N 386.211 4.370 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(F)c2O)N1 587714319 FHUZFVIBVUTFRM-QPFGOUBPSA-N 386.211 4.370 10 1 GICF CN1c2ccccc2Sc2ccc([C@@]3(O)CN(C)[C@H]4CCCC[C@H]4O3)cc21 169307102 AKAZQQQRHQNSNR-DKZVUGQWSA-N 382.529 4.337 10 1 GICF O=c1oc(-c2ccc(C(F)(F)F)cc2F)nn1Cc1cc(Cl)ccc1O 35242377 QJHNYXIRSNWDMG-UHFFFAOYSA-N 388.704 4.069 10 1 GICF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801547 LOIOEMZIUDXKGJ-XTZNXHDOSA-N 380.257 4.316 10 1 GICF O=C1COc2cc3[nH]c([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)nc3cc2N1 587080242 LLFAKUKXPQVLOO-ZBUHCNDUSA-N 392.846 4.374 10 1 GICF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(CN(C)C)c1O 587507632 ROYGBEIKICALOZ-HXUWFJFHSA-N 381.472 4.048 10 1 GICF CCOc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587800316 FNVHDXZLZJPZNO-XTZNXHDOSA-N 380.257 4.316 10 1 GICF O=C1c2ccccc2C(=O)c2c1nc(-c1ccncc1)n2Cc1cccc(Cl)c1 1857655763 KSLJGPBOKODXIU-UHFFFAOYSA-N 399.837 4.422 10 1 GICF Cc1ccccc1Cn1c(-c2ccncc2)nc2c1C(=O)c1ccccc1C2=O 1857770778 AKFPJIBKIZOJAU-UHFFFAOYSA-N 379.419 4.077 10 1 GICF Cn1cc(-c2ncc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)s2)cn1 587021331 IEGMUMNBUCDJNB-UHFFFAOYSA-N 388.456 4.461 10 1 GICF COc1cc(OC)c([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1 96938905 ZPWQSIZQDQQSSA-GOSISDBHSA-N 378.428 4.010 10 1 GICF Cc1cc(C=O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587822712 QFKZUGHDTXQDCT-DYZYQPBXSA-N 378.241 4.038 10 1 GICF CCCOc1cc(O)c2c(=O)c(OCCC)c(-c3ccc(O)c(O)c3)oc2c1 299829536 KEINNCRXIQMJRA-UHFFFAOYSA-N 386.400 4.154 10 1 GICF Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)CCN(C)C)ccc3c2)cc1 13671942 GEGLJDPEPGLWCZ-NTEUORMPSA-N 388.515 4.193 10 1 GICF CC(C)=CCOc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(C)cc3)C2)c(O)c1 64512088 AVEIZXNVOUOMPQ-HXUWFJFHSA-N 395.528 4.440 10 1 GICF CC(=O)Nc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 64447397 LGNLJVDLBBNDCI-JWGURIENSA-N 381.435 4.480 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3ncccc23)N1 587779521 SZFPQTJAJKKQQP-APBUJDDRSA-N 387.252 4.466 10 1 GICF CC(C)(C)c1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(O)c1 962767758 QTMYZCMCQBKXRJ-FUHWJXTLSA-N 377.406 4.425 10 1 GICF COc1ccc(OC)c(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)c1 103970381 PXQHBVLPJNHLFC-OCOZRVBESA-N 391.387 4.205 10 1 GICF O=C1c2ccccc2C(=O)c2c1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1 299826740 DUZPSRWLVRGPNU-UHFFFAOYSA-N 399.833 4.479 10 1 GICF COc1c(F)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F 587135108 SZUXVHNFKXTEHI-UHFFFAOYSA-N 390.345 4.292 10 1 GICF O=C1c2ccccc2C(=O)c2cc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)ccc21 587279323 GGJRFQCBYPKMNS-UHFFFAOYSA-N 397.342 4.347 10 1 GICF COc1cc(/C=C/c2nc3cc(C)c(Br)cc3[nH]2)cc(O)c1O 587784967 GHUBUMBEVKXEOL-ONEGZZNKSA-N 375.222 4.224 10 1 GICF Oc1ccc([C@@H]2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(O)c1 5773122 FOKFNNLNWHNNAP-HXUWFJFHSA-N 393.830 4.348 10 3 GICF aggregator CN(C)c1ccc([C@H]2N[C@H](c3ccc(N(C)C)cc3)[C@H]3CCC[C@H]2C3=O)cc1 250351845 KHIIHIIDBURJAV-SSGKUCQKSA-N 377.532 4.190 10 1 GICF COc1cc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)cc(O)c1O 587785897 PLZJWRWLIUWHES-NSCUHMNNSA-N 379.185 4.055 10 1 GICF [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587259942 JNXWDMNHSABJSG-UHFFFAOYSA-N 375.376 4.270 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(F)cc2F)N1 587716059 DDRGYUXZUXIMLI-WNWIJWBNSA-N 386.211 4.370 10 1 GICF CC(C)[C@]1(C2C(=O)c3ccccc3C2=O)c2c(F)cccc2C[C@@H]2CCCN21 963110853 VTWBWGXOVGKXHV-UPCLLVRISA-N 377.459 4.393 10 1 GICF COc1cccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)c1 103299496 NDGMGUFDARHILW-UHFFFAOYSA-N 380.878 4.273 10 1 GICF COc1ccc2nc3ccc(COC(=O)c4ccc(F)cc4)cc3c(N)c2c1 58575851 TXKGRARMNWHSSZ-UHFFFAOYSA-N 376.387 4.475 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(Cl)[nH]c-3n1)[C@@H]1CC=C[C@@H]21 587272985 YFIQSEQHPMSKET-HFAKWTLXSA-N 382.811 4.001 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OCCN3C)N1 587773017 IUMAOKRFEUFAAT-WLRWDXFRSA-N 391.284 4.040 10 1 GICF O=[N+]([O-])c1ccccc1-c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1 103299482 UWBNKXHNRRPTSQ-UHFFFAOYSA-N 395.849 4.173 10 1 GICF O=C(c1ccc(Cl)cc1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26817928 ZBUBSBVMJWYOQU-UHFFFAOYSA-N 398.934 4.468 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N(C)C)cc2)N1 587756989 TXGXWYIRATXSEN-HXPMCKFVSA-N 377.301 4.452 10 1 GICF C[C@]1(CCc2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605919 BTNHXTKHLDMHBH-NFBKMPQASA-N 392.407 4.157 10 1 GICF Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(F)c2)N1 53365038 NYBCEKXAQXDDCF-WMZHIEFXSA-N 390.414 4.483 10 1 GICF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801838 NZHQEWSBPOJOCK-NSPYISDASA-N 394.284 4.490 10 1 GICF O=C(O)[C@@H]1CCCN(CCOCCc2ccccc2/N=N/c2ccccc2)C1 299825148 CYPKVNMTQQPHHG-FYTMPNSFSA-N 381.476 4.458 10 1 GICF O=[N+]([O-])c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1 96926962 GVFXWVSCLHYYDC-OWOJBTEDSA-N 378.384 4.494 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ncccc3C(F)(F)F)[nH]c21 587108618 NKUUVDWBQMRTHK-UHFFFAOYSA-N 393.324 4.419 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CCC4)cc3)C2)cc1 209119405 DZXWZXOIQLPNPL-BXKMTCNYSA-N 394.515 4.473 10 1 GICF O=C(O)[C@@H]1CCCN(CCOCCc2ccc(/N=N\c3ccccc3)cc2)C1 299831140 IDGYVVQDLWAJKN-QNBCRBJRSA-N 381.476 4.458 10 1 GICF CCOC(=O)c1c(C)oc2c(CC(=O)c3ccccc3)c(Cl)c(O)c(O)c12 977813 ITDXOTHNJBXZMS-UHFFFAOYSA-N 388.803 4.408 10 3 GICF c1ccc2c(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c[nH]c2c1 13582460 DTDAFQBYHBDFSS-UHFFFAOYSA-N 391.515 4.084 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(c4ccccc4O)CC3)[nH]c21 586896376 CJVPQVPMNOGUHG-UHFFFAOYSA-N 380.403 4.124 10 1 GICF NC(=O)N1CCc2sccc2[C@H]1c1ccc(OCc2ccccc2)cc1O 962709957 KUUHPGIRCDXONW-HXUWFJFHSA-N 380.469 4.059 10 1 GICF CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1OC(C)C 103208071 RZVLXOKVBLWLNQ-UHFFFAOYSA-N 386.400 4.151 10 1 GICF Cc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587821356 HYPHMUSLLCJNIZ-NIVTXAMTSA-N 380.257 4.106 10 1 GICF COc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587809325 TUAUVUTWYNAAJS-XTZNXHDOSA-N 380.257 4.100 10 1 GICF CC(C)N(c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O)C(C)C 299834942 SUUMZRKWDRFEJI-UHFFFAOYSA-N 396.468 4.106 10 1 GICF O=c1cc(-c2ccc(O)cc2)oc2cc3oc4cc(O)c(O)cc4c3c(O)c12 1857638072 FGUJTCMGFFMSGG-UHFFFAOYSA-N 376.320 4.182 10 1 GICF COc1cnc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1Cl 587065032 RTXYGIDWIGUYRW-UHFFFAOYSA-N 389.798 4.062 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N(C)C)cc2O)N1 587756519 QYLWMJBFRYMOEZ-WLRWDXFRSA-N 393.300 4.158 10 1 GICF Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(Oc2cc(C)cc(O)c2O)c1 2356717941 YYVCPKSKHKQELO-UHFFFAOYSA-N 396.395 4.446 10 1 GICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 142330425 XWBXHNBYOYEGLB-KRWDZBQOSA-N 382.504 4.249 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N(C)C)cc2O)N1 587754779 LBECAOCINCGFHK-NSPYISDASA-N 393.300 4.158 10 1 GICF CN(C)c1ccc(CNCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 28456328 UOQWEIBXQCYZIG-UHFFFAOYSA-N 394.441 4.073 10 1 GICF Cc1cc2c(o1)-c1nc(OCCCCCN(C)C)c3ccccc3c1C(=O)C2=O 1772640656 QWTYCBRRBRBEIE-UHFFFAOYSA-N 392.455 4.293 10 1 GICF O=C(O)[C@@H]1C/C(=C2/CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 28823018 NEUYJSROPOLVLU-PIOKWQJESA-N 382.847 4.189 10 1 GICF CN(c1cccc(F)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)ncn1 169700772 DFNAOVWBCOXSKY-UHFFFAOYSA-N 399.433 4.327 10 1 GICF O=c1c(Br)cc([N+](=O)[O-])c[c-]1C/N=N/c1nc2ccccc2s1 169688583 FENDOWRHBCMIGF-FBMGVBCBSA-N 392.214 4.330 10 1 GICF CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc1 5581987 MAOXVKFFGCYQIY-UHFFFAOYSA-N 378.499 4.198 10 3 GICF in-vivo CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2 100646710 VUMBHSIUPKOPEK-YSFYHYPLSA-N 398.934 4.274 10 1 GICF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)CF 149639915 LMTWRDPMEGUSLW-QGZVFWFLSA-N 396.506 4.096 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN3C)N1 587767507 REFBQCKMTIKGRL-JEOXALJRSA-N 375.285 4.204 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ncnc3[nH]1)[C@H]1CC=C[C@H]21 587271739 HUVUQNIXMKCGBL-MJVIPROJSA-N 382.811 4.049 10 1 GICF Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CNC1CCNCC1 103215241 SQLQIEZSHIZNNQ-UHFFFAOYSA-N 382.895 4.179 10 1 GICF CCc1cc(OC)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804929 DLRVCGVVRUCSBS-MLCYQJTMSA-N 394.284 4.488 10 1 GICF CCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OC 26377919 CVNGMEYHKCVXMF-UHFFFAOYSA-N 386.400 4.067 10 1 GICF Oc1ccc(-c2ncc(-c3cc(O)c(O)cc3Br)s2)cc1O 142487655 BNXKETCPNUQAFN-UHFFFAOYSA-N 380.219 4.062 10 1 GICF O=C(COc1cccc(Br)c1)N=Nc1c(O)[nH]c2ccc(F)cc12 617960067 OBLJACVPFHYAQV-UHFFFAOYSA-N 392.184 4.464 10 1 GICF CC(C)=CCc1c(O)cc2c(c1CCc1ccc(O)c(O)c1)C[C@H](O)C(C)(C)O2 15251827 OWBYJSNJVWQEQX-QHCPKHFHSA-N 398.499 4.172 10 1 GICF biogenic O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1ccc(N3CCOCC3)cc12 61924075 WHAKZVJXZWNWMW-GCJKJVERSA-N 378.472 4.094 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ncnc3[nH]1)[C@@H]1CC=C[C@H]21 587271748 HUVUQNIXMKCGBL-WDMOLILDSA-N 382.811 4.049 10 1 GICF COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 45348120 OHDXBVUGGFZWQI-GHVJWSGMSA-N 396.446 4.147 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(c4ccc(O)cc4)CC3)[nH]c21 586899454 XJOJNIMYXOANOF-UHFFFAOYSA-N 380.403 4.124 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(F)c2O)N1 587714482 AADRTLJMEKUQEQ-WNWIJWBNSA-N 386.211 4.370 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N(C)C)cc2)N1 587759051 ZYRCFJBHXDWQBG-HXPMCKFVSA-N 377.301 4.452 10 1 GICF CCOc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587800315 FNVHDXZLZJPZNO-MLCYQJTMSA-N 380.257 4.316 10 1 GICF CC(C)(C)c1ccc(CCNC(=S)N2CCCc3cc(O)c(O)cc3C2)cc1 29132678 UGBLONQQBYIEMC-UHFFFAOYSA-N 398.572 4.261 10 1 GICF CC[C@@]1(c2ccc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587821272 GZAJNGIQPOLNDG-MGNBDDOMSA-N 380.257 4.187 10 1 GICF Cc1ccc(C(C)C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587936100 KDKSOGLNDWLEPZ-UHFFFAOYSA-N 376.342 4.423 10 1 GICF O=C(CCCCNCc1cc(Cl)c2cccnc2c1O)Nc1ccccc1 1857569857 JFBFIAKBXZTFMF-UHFFFAOYSA-N 383.879 4.492 10 1 GICF CC(C)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(OC(C)C)c(O)c3o2)cc1 103206804 BEJBNZWSWFRJGC-UHFFFAOYSA-N 386.400 4.151 10 1 GICF Cc1ccc2c(c1O)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587830166 BPURLQIVBOKRDH-JEOXALJRSA-N 376.269 4.326 10 1 GICF O=C(O)/C=C/c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586879374 LWMMMJWPTMOTLV-FMIVXFBMSA-N 394.386 4.103 10 1 GICF CN(CCO)c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587193004 OSCMMSSGGCTLBQ-UHFFFAOYSA-N 380.673 4.074 10 1 GICF COc1cncc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c12 587276291 KCNLTLPBINAXRO-ZJNRKIDTSA-N 377.404 4.010 10 1 GICF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587822282 MPAQZZOOYAMTPO-MLCYQJTMSA-N 380.257 4.106 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC4CC4)cc3)C2)cc1 142317066 LGXQTLUBLHVOIC-KRWDZBQOSA-N 394.515 4.330 10 1 GICF COc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811081 UYBMPBIVIAXWAQ-XTZNXHDOSA-N 380.257 4.100 10 1 GICF CN(C)c1ccc([C@H]2N[C@@H](c3ccc(N(C)C)cc3)[C@H]3CCC[C@@H]2C3=O)cc1 44681648 KHIIHIIDBURJAV-ZCQNZVIGSA-N 377.532 4.190 10 1 GICF COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)C2=O)ccc1N1CCCC1 957747940 SBRUYIMANOFEMT-QHCPKHFHSA-N 387.435 4.334 10 1 GICF Cn1ccc2ccc(-c3cc(Nc4cnccc4C(N)=O)cc4nccnc34)cc21 1857558659 UWZJEIXHANEKNE-UHFFFAOYSA-N 394.438 4.026 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(F)c2O)N1 587714322 FHUZFVIBVUTFRM-RBHXEPJQSA-N 386.211 4.370 10 1 GICF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)c(F)c1 96173037 NHSMQQRAWUXDKQ-OAHLLOKOSA-N 398.478 4.079 10 1 GICF C[C@H]1C(=O)N(Cc2cccc(Cl)c2)c2scc(-c3ccccc3)[n+]2C1=O 101329892 GREMJGZNJARNRI-ZDUSSCGKSA-N 383.880 4.179 10 1 GICF CSc1ccc2c(c1)C(N1CCN(CCCO)CC1)=Cc1ccccc1S2 5175468 JQKSUWVQUJYZAV-UHFFFAOYSA-N 398.597 4.371 10 1 GICF OC1CCN(c2ccc([C@H]3c4ccsc4CCN3Cc3ccco3)cc2)CC1 962711712 QAGCMRRGRCLYSG-QHCPKHFHSA-N 394.540 4.450 10 1 GICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cnc2ccccc2c1 96934685 VOAMKHPAWRGBDC-WIOPSUGQSA-N 381.431 4.493 10 1 GICF O=C1c2ccccc2C(=O)C1[C@]1(c2ccccc2)NCCc2cc(Cl)ccc21 963391487 UVMNITDIGJZHDT-XMMPIXPASA-N 387.866 4.425 10 1 GICF Cc1cc(C=O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587822713 QFKZUGHDTXQDCT-QGHHPUGFSA-N 378.241 4.038 10 1 GICF Cc1cc(C=O)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587823550 UVNOBVGMFYJQJQ-QGHHPUGFSA-N 378.241 4.038 10 1 GICF CC(C)[C@@]1(C2C(=O)c3ccccc3C2=O)c2c(F)cccc2C[C@H]2CCCN21 963110851 VTWBWGXOVGKXHV-GYCJOSAFSA-N 377.459 4.393 10 1 GICF O=S(=O)(N=Nc1c(O)[nH]c2ccccc12)c1ccc(Br)cc1 617960098 DRNGGQQKQXUHKP-UHFFFAOYSA-N 380.223 4.109 10 1 GICF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653717431 FLXKFMYEGHDVNA-HGMDMCOWSA-N 391.858 4.500 10 1 GICF COc1cc(C)ccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587563379 CMXCWIOZEBKWIJ-UHFFFAOYSA-N 398.418 4.234 10 1 GICF O=c1oc2ccccc2c2oc3cc([N+](=O)[O-])c(O)c(CN4CCCCC4)c3c12 1857566813 WJJFJDQSBQBRLP-UHFFFAOYSA-N 394.383 4.292 10 1 GICF COc1cc(-n2c(-c3ccc(O)c(O)c3)csc2=S)cc(OC)c1OC 103278342 JIJUNXLKRZPHCJ-UHFFFAOYSA-N 391.470 4.372 10 1 GICF CC(=O)OC1CCN([C@H](c2ccccn2)c2c(O)ccc3ccccc23)CC1 72181116 BLQKRSAKNXRTJD-HSZRJFAPSA-N 376.456 4.057 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CCC4)cc3)C2)cc1 142353413 WFAYISHGJAEXEP-KRWDZBQOSA-N 394.515 4.330 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(O)c(O)c2)N1 587821538 ISTYGWRNKWRJBQ-NSPYISDASA-N 394.284 4.382 10 1 GICF O=C1C(=O)[C@H](Cc2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc21 169721150 YOVMUZWCCKDGJQ-HXUWFJFHSA-N 388.394 4.212 10 1 GICF COc1cc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)cc(O)c1O 587785895 PLZJWRWLIUWHES-IHWYPQMZSA-N 379.185 4.055 10 1 GICF O=C(O)c1cccc2c1CCN[C@H]2c1ccc2c(c1)CCN2Cc1ccccc1 963125988 VGRMDWDCSWMSHC-DEOSSOPVSA-N 384.479 4.183 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N(C)C)cc2O)N1 587754774 LBECAOCINCGFHK-JEOXALJRSA-N 393.300 4.158 10 1 GICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)cc1 142320635 GZLQSVRIGRKSOD-KRWDZBQOSA-N 394.515 4.330 10 1 GICF CCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(OC(C)C)cccc1C3=O 473084595 SPQUMAJXNGNJRB-UHFFFAOYSA-N 376.408 4.226 10 1 GICF CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1F 1772598365 RMRJQUIOKPPLNI-MGPUTAFESA-N 386.467 4.079 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CCO)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276540 LPHDODWZUCPWEB-XFQAVAEZSA-N 390.443 4.141 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3cccnc23)N1 587779411 SDJCVAKYCSSOQM-APBUJDDRSA-N 387.252 4.466 10 1 GICF C[C@@H](CN(C)C)Oc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O 28713987 YZDUWZIPARTLNH-NSHDSACASA-N 383.831 4.191 10 1 GICF [N-]=[N+]=NCC1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40406621 CKIPBWVJLNBRGT-OAQYLSRUSA-N 376.464 4.137 10 1 GICF CCc1cc(OC)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809874 VNMUSKDDCVANRN-YPMLDQLKSA-N 394.284 4.488 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OCCN3C)N1 587769923 BTWPJZUBEMSCCY-WLRWDXFRSA-N 391.284 4.040 10 1 GICF Cc1ccc(C(=O)Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1 28765310 ALXUYMPYKQKEOG-UHFFFAOYSA-N 393.531 4.145 10 1 GICF O=C(O)[C@H]1C/C(=C2/CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 28823019 NEUYJSROPOLVLU-BMINWGARSA-N 382.847 4.189 10 1 GICF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(F)c2)N1 2936919 DCUHKMMUVVQPLV-CVDCTZTESA-N 390.414 4.234 10 1 GICF CCOc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800064 FINTYEYVYDICCZ-JEOXALJRSA-N 394.284 4.490 10 1 GICF COc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808070 OLQRCGHLZYVXIL-YPMLDQLKSA-N 380.257 4.100 10 1 GICF COc1cc(/C=C/c2nc3cc(Br)cc(C)c3[nH]2)cc(O)c1O 587786232 RWWNHQUPIDYCJB-ONEGZZNKSA-N 375.222 4.224 10 1 GICF NC(=S)/N=N\c1c(O)n(Cc2ccc(Br)cc2)c2ccccc12 8829957 KWWYWZZUVOYDGM-VXPUYCOJSA-N 389.278 4.485 10 1 GICF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N)ccc12 26847003 NDKFTGZTWXRXKS-UHFFFAOYSA-N 392.484 4.394 10 1 GICF COc1ccccc1COc1ccccc1/C=C/C=C1\SC(=S)NC1=O 96272368 ZFMNOKIPXJKJCB-YKYHQJSKSA-N 383.494 4.319 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN3C)N1 587767509 REFBQCKMTIKGRL-WLRWDXFRSA-N 375.285 4.204 10 1 GICF CN(C)c1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 102360085 QYGLWSRZYBNNOY-GJSMIVIISA-N 390.483 4.332 10 1 GICF Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)cc1 95592520 ADUDEHJBFSTYEH-UHFFFAOYSA-N 394.540 4.452 10 1 GICF Cc1ccc2c(c1O)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587830636 FFNCOWLDBPEBDE-NSPYISDASA-N 376.269 4.326 10 1 GICF Cc1cc2c(O)nc(CSC(=S)NCc3ccccc3F)nc2s1 1857635333 OAXNQFCTBVGGGS-UHFFFAOYSA-N 379.507 4.152 10 1 GICF CC(C)n1c(O)c(/N=N/C(=O)CNC(=O)CCc2ccccc2)c2ccccc21 101607487 QTCCUPXMJOJMJL-OCOZRVBESA-N 392.459 4.287 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2O)N1 587776456 CWLSRIQGMVUFSC-MGNBDDOMSA-N 387.252 4.466 10 1 GICF Oc1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c(O)cc1Br 963102527 KPOKLQURJGBBSU-ADLMAVQZSA-N 378.241 4.109 10 1 GICF COc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804702 BQKILWLSPSGTIQ-MLCYQJTMSA-N 380.257 4.100 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4cn[nH]c4cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275300 BNKLMCSPWCELNP-JZKQVHKSSA-N 386.415 4.482 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(F)cc2F)N1 587718717 JGNFIYLBTPUUSJ-QPFGOUBPSA-N 386.211 4.370 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(F)c2O)N1 587722902 UFYDSPQNSFPSCA-RBHXEPJQSA-N 386.211 4.370 10 1 GICF CCOc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803108 WGHFZRCZJOMNNF-YPMLDQLKSA-N 380.257 4.316 10 1 GICF Oc1ccc(CCNCCCCCNCCCc2ccc(Cl)cc2)cc1O 45203073 ZQKVOZPVXQBYMK-UHFFFAOYSA-N 390.955 4.276 10 1 GICF COc1ccc2oc(=O)c3c(oc4ccc(O)c(CN5CCCCC5)c43)c2c1 1772632719 DGJKUMJVLCPXIR-UHFFFAOYSA-N 379.412 4.393 10 1 GICF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587164565 WPUYZBFBXPNAIK-OAQYLSRUSA-N 399.425 4.128 10 1 GICF CCNS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 26935604 XJZYCJSESUJVLH-UHFFFAOYSA-N 392.484 4.012 10 1 GICF COc1ccc([C@H]2CC(c3ccc(OCC=C(C)C)cc3O)=NN2C(C)=O)cc1 64528333 FAAPNJDZQUXWKY-JOCHJYFZSA-N 394.471 4.443 10 1 GICF Cc1cccc(C)c1/N=N/C(=C1/NCCN1Cc1cnc(Cl)s1)[N+](=O)[O-] 103222826 JOYSUKRDCAXJMG-SMOVNBQISA-N 392.872 4.006 10 1 GICF CN(C)CCCOc1ccc2ccc3c4c(nnc3c2c1)-c1ccccc1C4=O 1772604387 WFPDZWNYSKMZEV-UHFFFAOYSA-N 383.451 4.325 10 1 GICF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccc(F)cc3)C2)ccc1O 35013084 PMVWEFAPQBDMTM-HXUWFJFHSA-N 375.403 4.226 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)cc2O)N1 587696295 SWCFNHTVACSPPM-VGDKGRGNSA-N 386.648 4.276 10 1 GICF CCN1/C(=C/c2sc3ccccc3[n+]2CCO)C=Cc2cc(OC)ccc21 5128485 KCBVTCUKKBYCQG-UHFFFAOYSA-N 379.505 4.084 10 1 GICF COc1ccc(C(=O)OCc2ccc3nc4ccc(OC)cc4c(N)c3c2)cc1 58576425 WEUNAOKQOTWDBC-UHFFFAOYSA-N 388.423 4.344 10 1 GICF O=C(O)[C@H]1CCCN(CCOCCc2ccc(/N=N\c3ccccc3)cc2)C1 299831129 IDGYVVQDLWAJKN-OAFDPHIXSA-N 381.476 4.458 10 1 GICF CCN(CC)c1ccc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731007 PVXVVIHKKGUXPB-TZIWHRDSSA-N 390.449 4.442 10 1 GICF COc1c(C)c(C)c2c(c1NC(=O)/C=C/c1ccc(O)c(O)c1)CCC(C)(C)O2 28567233 JODGSHMJBXTBCO-VQHVLOKHSA-N 397.471 4.479 10 1 GICF CN(CO)/N=N/c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13531073 KACVHRHMKPRXFN-QURGRASLSA-N 387.241 4.016 10 1 GICF COS(=O)(=O)Nc1ccc2c(Nc3ccc(N)cc3)c3ccccc3nc2c1 26841392 MJTIIEOHSIIPSI-UHFFFAOYSA-N 394.456 4.017 10 1 GICF CN(C)CCCn1c2c(c3c4ccccc4c(O)cc31)C(=O)c1ccccc1C2=O 473112135 DBMXTOFHRZLJSW-UHFFFAOYSA-N 398.462 4.227 10 1 GICF COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC)cc34)CC2)cc1 2010334 MOFQVDOYTSRLKU-UHFFFAOYSA-N 393.531 4.330 10 1 GICF Cc1ccc(C(=O)N(C)c2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1 28087582 PYEAMGHYWYAFTR-UHFFFAOYSA-N 377.440 4.174 10 1 GICF Cc1ccc(O)c2c1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587834668 SRXOSNAHVYBZAS-WLRWDXFRSA-N 376.269 4.326 10 1 GICF Cc1oc2c(c1C(=O)NCCCCc1ccccc1)C(=O)c1ccccc1C2=O 1911572803 SOMAAMOVGSZZFM-UHFFFAOYSA-N 387.435 4.116 10 1 GICF CN(C)c1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 38179733 QYGLWSRZYBNNOY-PYIDDPFXSA-N 390.483 4.332 10 1 GICF Cc1c([C@@]2(C)c3ccsc3CCN2Cc2ccco2)[nH]c2cc(O)nc(O)c12 962701044 CRVASYZEPQELKR-OAQYLSRUSA-N 395.484 4.259 10 1 GICF O=C1CCN(Cc2cc(CN3CCCC3)c(O)c3ncccc23)c2ccccc21 1857758368 BHZNMYFMQPKURN-UHFFFAOYSA-N 387.483 4.129 10 1 GICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)cc1 142278223 FZTQLMFVGJZAQA-KRWDZBQOSA-N 397.519 4.075 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3)C2)cc1 209119358 MNMXUQUPTVVCBE-QMHKHESXSA-N 380.488 4.083 10 1 GICF O=C1N=C(NCCc2cccc(F)c2)S/C1=C\c1ccc2ncccc2c1 28821285 BIXMIBMPGWMDNN-UYRXBGFRSA-N 377.444 4.177 10 1 GICF Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1 49112246 VIGNWUBNNCBEHJ-UHFFFAOYSA-N 384.417 4.021 10 1 GICF CC1CCN(C[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)CC1 45494982 OIJXSDZXXRNJQM-QHCPKHFHSA-N 394.559 4.111 10 1 GICF O=C(NCCc1ccc(O)c(O)c1)c1cc2sccc2n1Cc1ccccc1 149088807 DSBUAIFDRAQOBQ-UHFFFAOYSA-N 392.480 4.135 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(F)c2O)N1 587714317 FHUZFVIBVUTFRM-CQLKUDPESA-N 386.211 4.370 10 1 GICF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587802852 VLFOBCSHWDTICC-JEOXALJRSA-N 394.284 4.490 10 1 GICF CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1857755508 NXGXSRJQERFLRS-UHFFFAOYSA-N 390.483 4.301 10 1 GICF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1ccc(N3CCOCC3)cc12 103058982 WHAKZVJXZWNWMW-AVRDEDQJSA-N 378.472 4.094 10 3 GICF CN(C)c1ccc(CNC(=O)c2nc(Cc3ccc(F)c(F)c3)cs2)cc1 1857754642 SJPAGPSNFJAOJY-UHFFFAOYSA-N 387.455 4.008 10 1 GICF CC(C)N[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 2356529364 DGFMGTLKHVREOL-LLPLAXKASA-N 387.520 4.263 10 1 GICF S=C(NCc1cccnc1)SCCc1nnc(-c2ccc(Cl)cc2)o1 653709070 WQSWWFWJHQFBKD-UHFFFAOYSA-N 390.921 4.135 10 1 GICF Cc1ccccc1C(=O)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26749322 XUNLQMPAUYFPGZ-UHFFFAOYSA-N 393.531 4.145 10 1 GICF CN1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@H]4CCCC[C@@H]4O3)cc21 221466318 AKAZQQQRHQNSNR-BPXKWBHBSA-N 382.529 4.337 10 1 GICF COc1cc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)cc(O)c1O 587785006 GVOYCLAOKRBPBD-DJWKRKHSSA-N 379.185 4.055 10 1 GICF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccccc1)c1ccc(O)c(O)c1 963058814 RBGMIDLUFCTINQ-VWLOTQADSA-N 398.462 4.092 10 1 GICF COc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(O)c1O 587785855 OWHSJLVUTCTIIA-VOTSOKGWSA-N 384.395 4.250 10 1 GICF Cc1ccc(O)c2c1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833640 OTHWUTXAPRRKGG-WYRIXSBYSA-N 376.269 4.326 10 1 GICF CCOP(=O)(Cc1cc(NCc2cc(O)ccc2O)ccc1O)OCC 13735393 ZLXUGUASYCUVJQ-UHFFFAOYSA-N 381.365 4.182 10 1 GICF Cc1ccc(O)c2c1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587834662 SRXOSNAHVYBZAS-JEOXALJRSA-N 376.269 4.326 10 1 GICF O=C(N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 5042692 NOSJDLVTDMTHKP-QGZVFWFLSA-N 379.803 4.101 10 1 GICF COc1c(Cl)c2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3CN(C)CC2 28087642 ZLEMKTFXPSIGOM-LBPRGKRZSA-N 376.859 4.220 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2O)N1 587775994 AVQKQJRVMJQYDS-MLCYQJTMSA-N 387.252 4.466 10 1 GICF Cc1ccccc1Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(O)c1O 653835444 JSIBRGFKXHETRA-UHFFFAOYSA-N 390.391 4.182 10 1 GICF Cc1sc2c(c1C)CCN[C@@]21c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 963007652 HVUYDMIFEWLYEE-HSZRJFAPSA-N 391.492 4.067 10 1 GICF Cc1cc(C=O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587821839 KBMPHMLGBOSLLW-DYZYQPBXSA-N 378.241 4.038 10 1 GICF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccccc3)cc(O)c21 653846294 UNNIQVZBBXJIIL-YOCVDRLZSA-N 386.403 4.010 10 1 GICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(O)ccc23)cc1 101269868 SNTCEKJBZMHFOC-UHFFFAOYSA-N 379.441 4.209 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(Br)o3)nc21 587006431 JRZQWHBIAOZHBW-UHFFFAOYSA-N 393.196 4.361 10 1 GICF Cc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823211 SRWCNDGPTMLEDR-YYSFKGJASA-N 380.257 4.106 10 1 GICF COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)n2C)CC1 29566986 SBUKRQHOQWLSOZ-UHFFFAOYSA-N 379.479 4.162 10 1 GICF CC1(C)OC(=O)C(=CNc2ccccc2-c2nc3ccccc3s2)C(=O)O1 49033987 XDDONQDOLFSBEM-UHFFFAOYSA-N 380.425 4.095 10 1 GICF CCC[N@@+]1(C)CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 253806693 ODAZWJAXDUSDPO-DEOSSOPVSA-O 382.480 4.334 10 1 GICF CN1OC[C@@H]2CN(Cc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 72138167 CREYTWBAYDDQNK-HVCNVCAESA-N 391.559 4.486 10 3 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N(C)C)cc2O)N1 587754783 LBECAOCINCGFHK-WYRIXSBYSA-N 393.300 4.158 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(Cl)c2)N1 587691048 BKVLNPVXZBJRCE-ZIDLFYJRSA-N 386.648 4.276 10 1 GICF CCOc1ccccc1-c1nc(CN2CCN(c3ccc(OC)cc3)CC2)co1 72181287 HCJVRKLMJHFTTA-UHFFFAOYSA-N 393.487 4.071 10 1 GICF CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587801582 MDCWEFMESMBSJK-BTDLBPIBSA-N 380.257 4.316 10 1 GICF COc1cc(/C=C\c2nc3cc(Br)cc(C)c3[nH]2)cc(O)c1O 587786230 RWWNHQUPIDYCJB-ARJAWSKDSA-N 375.222 4.224 10 1 GICF CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587801584 MDCWEFMESMBSJK-QGHHPUGFSA-N 380.257 4.316 10 1 GICF COc1ccc2nc3cc(I)ccc3c(N(C)C)c2c1 95582791 PMHFLBYKNHMIBV-UHFFFAOYSA-N 378.213 4.067 10 1 GICF CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc2nc3ccccc3nc2cc1N 299863192 OUDXZRQKCDKFLL-CWHMERMBSA-N 395.426 4.240 10 1 GICF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772616503 MLEQBAYGEIWNMU-YWZLYKJASA-N 386.467 4.079 10 1 GICF C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(F)cc2)n1C 1355507 SCAWTQXZQYFPQG-AWEZNQCLSA-N 381.476 4.296 10 3 GICF O=C(O)[C@H]1CCCN(CCOCCc2ccccc2/N=N/c2ccccc2)C1 299825155 CYPKVNMTQQPHHG-SMIQVMJNSA-N 381.476 4.458 10 1 GICF COc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808068 OLQRCGHLZYVXIL-XTZNXHDOSA-N 380.257 4.100 10 1 GICF CCOC(=O)c1c2c(n(-c3ccc(OC)cc3)c1C)C(=O)C(=O)c1ccccc1-2 5844621 KOVAXUSVFZXVKF-UHFFFAOYSA-N 389.407 4.017 10 3 GICF Cc1cc2c(O)nc(CSC(=S)NCc3ccc(F)cc3)nc2s1 1857629744 XESDTBSSLJVNIL-UHFFFAOYSA-N 379.507 4.152 10 1 GICF Cc1nccn1-c1cc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cs1 84604887 RWXBSBALFYEJEH-UHFFFAOYSA-N 393.468 4.423 10 1 GICF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587164564 WPUYZBFBXPNAIK-NRFANRHFSA-N 399.425 4.128 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(Cl)c2)N1 587691046 BKVLNPVXZBJRCE-MLXNANBUSA-N 386.648 4.276 10 1 GICF Cc1c(O)ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587821355 HYPHMUSLLCJNIZ-LZVRBXCZSA-N 380.257 4.106 10 1 GICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N3CCN(CC)CC3)cc2)N1 962963770 XAQZDMSIGFBHMA-CYFREDJKSA-N 388.559 4.324 10 1 GICF COc1cc2c(cc1OC)[C@](C)(c1cc(C)c3c(c1O)CCC3)N(C)[C@H](C)C2 962627006 GKJYRHBBTAZNAS-OYLFLEFRSA-N 381.516 4.346 10 1 GICF Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)n1-c1ccccc1 587652906 NPLCMQWRUURMPQ-UHFFFAOYSA-N 377.831 4.146 10 1 GICF C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(F)cc2)n1C 1355510 SCAWTQXZQYFPQG-CQSZACIVSA-N 381.476 4.296 10 3 GICF CNS(=O)(=O)c1cccc(C=C2c3ccccc3CCc3ccccc32)c1 103263159 MHUHPOWTAWMWOK-UHFFFAOYSA-N 375.493 4.282 10 1 GICF COc1ccc(-c2cc3c(CN4CCC(N(C)C)CC4)c(O)ccc3o2)cc1 169349612 PYROXVDJKUZXHK-UHFFFAOYSA-N 380.488 4.340 10 1 GICF C[C@]1(CCc2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605920 BTNHXTKHLDMHBH-NZQKXSOJSA-N 392.407 4.157 10 1 GICF C[C@H](NC(=O)C1CC1)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1 142330021 ZLVMVSWEDYKUJB-INIZCTEOSA-N 392.499 4.083 10 1 GICF [N-]=[N+]=NCCOCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 222494489 VAHYXNIJBAGFQO-UHFFFAOYSA-N 395.415 4.182 10 1 GICF CCc1cc(OC)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804928 DLRVCGVVRUCSBS-MGNBDDOMSA-N 394.284 4.488 10 1 GICF O=C1c2ccccc2C(=O)c2cc3oc(SCCN4CCCCC4)nc3cc21 299825445 MGBXJXGDWIWKER-UHFFFAOYSA-N 392.480 4.181 10 1 GICF Cn1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C(F)(F)F)c1 587115560 PTJUWAMQYNDICU-UHFFFAOYSA-N 395.340 4.363 10 1 GICF Cc1ccc(CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1N 587249711 DYGRJILJFLNQCJ-UHFFFAOYSA-N 381.435 4.014 10 1 GICF COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Cl)cc(Cl)c3O)C2)cc1 95560021 PPIOYFAIYQPELP-KRWDZBQOSA-N 379.243 4.405 10 1 GICF COc1cc2nc3c(cc2c(CN2CCOCC2)c1O)CSc1ccccc1-3 43073476 CRFFWXNFTDCDIY-UHFFFAOYSA-N 394.496 4.054 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)cc2O)N1 587692516 KZBHPYRGOGZFSO-GYKQLYQFSA-N 386.648 4.276 10 1 GICF Oc1cc(F)ccc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950953 FNDQCBZBSDVUEH-SFHVURJKSA-N 381.369 4.291 10 1 GICF C=CC(=O)Nc1cc(OCCC)c2c(c1)C(=O)c1cccc(OCCC)c1C2=O 206570606 NPDZGZCRKKKLTL-UHFFFAOYSA-N 393.439 4.164 10 1 GICF COc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811082 UYBMPBIVIAXWAQ-YPMLDQLKSA-N 380.257 4.100 10 1 GICF CCCN(CCc1ccc(O)cc1)[C@@H]1CCc2cc(O)c(O)c(Cl)c2C1 29347541 ARGKWWCVRZVNHO-MRXNPFEDSA-N 375.896 4.269 10 1 GICF COc1cc(C/N=N/c2nc(Cl)nc3c2cnn3-c2ccccc2)ccc1O 169685227 SAQMAZRKDZUOQI-NJNXFGOHSA-N 394.822 4.467 10 1 GICF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(O)c(O)cc32)[C@H]1c1ccc(F)cc1 587358554 WRPRGPOKDHESQQ-JTHBVZDNSA-N 392.382 4.143 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2O)N1 587775995 AVQKQJRVMJQYDS-XTZNXHDOSA-N 387.252 4.466 10 1 GICF O=C(CCc1ccccc1)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587954113 CYFQYMNCALOINM-UHFFFAOYSA-N 380.403 4.154 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3n[nH]c4c(F)cccc34)nc21 587177615 QKCCRYALZZXUHF-UHFFFAOYSA-N 382.354 4.021 10 1 GICF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)N2 587080298 LXKLERPEJBIKMZ-KSMMKXTCSA-N 389.850 4.019 10 1 GICF CC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccc(N3CCCCC3)nc2c1O 38142070 RVUIPIKGXRTZHY-IBGZPJMESA-N 399.878 4.403 10 1 GICF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cncc2ccccc12 96934686 GPTBAYVRVKKMTC-RDGATRHJSA-N 381.431 4.493 10 1 GICF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1O)CC2=O 587477913 VTPAFKOFLNRLEE-LJQANCHMSA-N 378.428 4.251 10 1 GICF CCOc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801339 KIOSFLKULWIWNW-WLRWDXFRSA-N 394.284 4.490 10 1 GICF COc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587809323 TUAUVUTWYNAAJS-MGNBDDOMSA-N 380.257 4.100 10 1 GICF CC(=O)C[C@]1(c2ccccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587834576 SFWWXHBPSUAGDG-NSPYISDASA-N 392.268 4.051 10 1 GICF Cc1cccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)c1 49048208 SZECECPTOGMOIQ-UHFFFAOYSA-N 384.417 4.021 10 1 GICF O=C(c1ccccc1O)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28464803 XCBBJAHKTIICTO-WEVVVXLNSA-N 399.402 4.459 10 1 GICF CC[C@]1(c2ccc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587821273 GZAJNGIQPOLNDG-MLCYQJTMSA-N 380.257 4.187 10 1 GICF Cc1sc2c(c1C)CCN[C@H]2c1ccc(N2CCN(C)CC2)cc1Cl 963011325 PFGDSDFMQSQBAS-IBGZPJMESA-N 375.969 4.005 10 1 GICF COc1cc(Cc2c(O)cc(OC)c3c2ccc2cc(O)c(O)cc23)ccc1O 238788829 KAAYYZHXDKHIBG-UHFFFAOYSA-N 392.407 4.423 10 1 GICF CCS(=O)(=O)c1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586921974 JBBWSYPOKJVCQP-UHFFFAOYSA-N 393.468 4.398 10 1 GICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccc(O)cc1 103193027 DFIULZPDNBARON-JOCHJYFZSA-N 375.428 4.039 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ncnc3[nH]1)[C@H]1CC=C[C@@H]21 587271744 HUVUQNIXMKCGBL-SUNKGSAMSA-N 382.811 4.049 10 1 GICF CN(C)c1ccc(CNC(=O)c2csc(Cc3ccc(F)c(F)c3)n2)cc1 1857646669 RLBWNEPHFVFSJV-UHFFFAOYSA-N 387.455 4.008 10 1 GICF CC(C)=CCOc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(C)cc3)C2)c(O)c1 64512086 AVEIZXNVOUOMPQ-FQEVSTJZSA-N 395.528 4.440 10 1 GICF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772584691 DZHZLGLKOBBUDH-FDDCHVKYSA-N 396.531 4.371 10 1 GICF CN(C)c1ccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1 21639481 RKAZRMWLMBYLOF-UHFFFAOYSA-N 395.457 4.123 10 1 GICF Cc1cc(F)ccc1C1CCN(C[C@@H]2Cc3c(Cl)ccc(O)c3CN2)CC1 653739243 IXFUXXZRMXAXCX-KRWDZBQOSA-N 388.914 4.387 10 1 GICF O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc(N2CCOCC2)cc1 299868199 REPRPBYXNKZBTQ-QGOAFFKASA-N 399.903 4.259 10 1 GICF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801840 NZHQEWSBPOJOCK-WYRIXSBYSA-N 394.284 4.490 10 1 GICF COc1cc(-c2ncn(C)c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC 29413909 FHCFQELIQBCWKH-UHFFFAOYSA-N 377.444 4.272 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Cl)c[nH]c-3n1)[C@H]1CC=C[C@H]21 587271814 JDDHRSCEPDCWQQ-PGUXBMHVSA-N 382.811 4.001 10 1 GICF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587802857 VLFOBCSHWDTICC-WLRWDXFRSA-N 394.284 4.490 10 1 GICF Oc1cccc2c1[C@]1(CC2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959743 PXFBVICFHOOGIY-NRFANRHFSA-N 389.417 4.252 10 1 GICF CC(C)N[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 238742431 DGFMGTLKHVREOL-DCSJCSGWSA-N 387.520 4.263 10 1 GICF CCCN(CCc1ccc(O)cc1)[C@H]1CCc2cc(O)c(O)c(Cl)c2C1 29347545 ARGKWWCVRZVNHO-INIZCTEOSA-N 375.896 4.269 10 1 GICF Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)n1-c1ccc(F)cc1 587651342 HODHFTQKGRTGSL-UHFFFAOYSA-N 395.821 4.285 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(Cl)c2)N1 587691045 BKVLNPVXZBJRCE-KWKYVRJSSA-N 386.648 4.276 10 1 GICF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587801829 NWOPVYICFFZIMM-MGNBDDOMSA-N 380.257 4.316 10 1 GICF C[C@H]1Oc2c(c3c(c4oc5c(O)c(O)ccc5c(=O)c24)C(C)(C)[C@@H](C)O3)C1(C)C 14686352 YOOLRLCJQJIYEG-NXEZZACHSA-N 396.439 4.474 10 1 GICF biogenic FC(F)(F)Oc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685239 PSUMBGPAZYSXSK-IMVLJIQESA-N 399.336 4.393 10 1 GICF COc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(O)c1O 587785854 OWHSJLVUTCTIIA-SREVYHEPSA-N 384.395 4.250 10 1 GICF O=C(NCc1ccccc1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952424 SPAGGYQRVVFOQX-FCEWJHQRSA-N 388.389 4.355 10 1 GICF O=S(=O)(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(Br)cc1 103966459 DRNGGQQKQXUHKP-ISLYRVAYSA-N 380.223 4.109 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(c4cccc(Cl)n4)CC3)[nH]c21 587084416 MBTRTQWFYMLLHR-UHFFFAOYSA-N 399.837 4.467 10 1 GICF O=C(COc1cccc(Br)c1)/N=N/c1c(O)[nH]c2ccc(F)cc12 103960919 OBLJACVPFHYAQV-QZQOTICOSA-N 392.184 4.464 10 1 GICF O=c1oc(/C=C/c2ccc(O)c(O)c2)cc2oc(-c3ccc(O)c(O)c3)cc12 142442147 LYKVAAQTDREPSC-DAFODLJHSA-N 378.336 4.046 10 1 GICF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)cc1)Nc1cccc2[nH]ncc12 14973525 SIFSOERBJAQEEF-CALCHBBNSA-N 375.476 4.406 10 1 GICF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801545 LOIOEMZIUDXKGJ-MGNBDDOMSA-N 380.257 4.316 10 1 GICF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)cc1 35013056 MDLKZXAOZCNEOD-OAQYLSRUSA-N 387.439 4.096 10 1 GICF O=C(O)/C=C\c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586879378 LWMMMJWPTMOTLV-XFXZXTDPSA-N 394.386 4.103 10 1 GICF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2n1 587275553 DSGLMPKYPXNQIA-FHSNZYRGSA-N 377.404 4.010 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)O)cc3[nH]1)[C@H]1CC=C[C@H]21 587276302 KHKPDBLTBZNCBA-NJSLBKSFSA-N 390.399 4.304 10 1 GICF O=C(Cn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21)Nc1ccccc1 96901473 RKVBTLXXJSRVQS-OCEACIFDSA-N 399.410 4.305 10 1 GICF CCCCNS(=O)(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259640 GLPQMNRBROOMOI-UHFFFAOYSA-N 378.502 4.055 10 1 GICF O=[N+]([O-])c1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(O)c([N+](=O)[O-])c1 962657412 BMFKBOOYUFFAAN-FQEVSTJZSA-N 391.383 4.111 10 1 GICF Cc1ccc(Cc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc(O)c2O)cc1 653837808 DKLBCAXVPWQWFV-UHFFFAOYSA-N 390.391 4.182 10 1 GICF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1F 36471724 VGUVTUBIOVHTDJ-UHFFFAOYSA-N 381.470 4.478 10 1 GICF Cc1cc2c(n1-c1ccccc1)CCc1cc(C(=O)c3ccccc3)c(=O)[nH]c1-2 26668870 TZCDIEZAKHDZQS-UHFFFAOYSA-N 380.447 4.471 10 1 GICF CCOC(=O)CCc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl 29344969 OEXSBBHYOUDUJT-UHFFFAOYSA-N 384.259 4.446 10 1 GICF Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)n1-c1ccccc1F 587921837 BVONLFVXEGNRHX-UHFFFAOYSA-N 385.464 4.351 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(Cl)[nH]c-3n1)[C@H]1CC=C[C@H]21 587272987 YFIQSEQHPMSKET-PGUXBMHVSA-N 382.811 4.001 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CO)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275374 CVSFIJABUDXXFX-SXGZJXTBSA-N 376.416 4.098 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c(F)c2)N1 587724705 LIJFEIWLZSXQGL-MLCYQJTMSA-N 381.264 4.417 10 1 GICF COc1ccc(-c2cc(C3(CNCc4ccc(N(C)C)cc4)CC3)ccn2)cn1 1857610030 CORXNGCISBUFOR-UHFFFAOYSA-N 388.515 4.040 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(F)c2O)N1 587714305 FBIUJTUIHWGZEV-RBHXEPJQSA-N 386.211 4.370 10 1 GICF COc1cc(OC)c([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1 96938904 ZPWQSIZQDQQSSA-SFHVURJKSA-N 378.428 4.010 10 1 GICF COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1 474605927 GSUBUNWWDGQVJY-JCMHNJIXSA-N 385.467 4.244 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3ncccc23)N1 587779522 SZFPQTJAJKKQQP-DGIBIBHMSA-N 387.252 4.466 10 1 GICF COc1cc(O)c2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587809659 RFDSWKKGZOJCLG-GIGQVBGESA-N 392.268 4.026 10 1 GICF CC(=O)NCc1cc(Br)cc(C2C3CC4CC(C3)CC2C4)c1O 2356322724 AIDVKUWBVJZBRU-UHFFFAOYSA-N 378.310 4.331 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772582385 HTXKDWUKUCOXAL-XDHUDOTRSA-N 394.515 4.330 10 1 GICF CCOC(=O)Cc1oc2c(c1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O 1857749979 BYDWGFLNFGVWBF-OUKQBFOZSA-N 386.403 4.331 10 1 GICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)c(Cc4ccccc4)c3)oc2c1 653837839 GEEVQIWRBYJBFH-UHFFFAOYSA-N 390.391 4.176 10 1 GICF Nc1ccc(NC(=O)/C=C/c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1 13761279 ZITMZNXVJYIWKP-AATRIKPKSA-N 390.226 4.407 10 1 GICF CN(C)c1ccc([C@@H]2N[C@@H](c3ccc(N(C)C)cc3)[C@H]3CCC[C@H]2C3=O)cc1 102147410 KHIIHIIDBURJAV-LUKWVAJMSA-N 377.532 4.190 10 1 GICF Cc1c(F)ccc2c1[C@@]1(C=C(c3ccccc3)Oc3ccc(O)c(O)c31)NCC2 962297505 JJRQOMYHBFWWIG-XMMPIXPASA-N 389.426 4.368 10 1 GICF CC(C)(C)c1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(O)c1 962767759 QTMYZCMCQBKXRJ-SJLPKXTDSA-N 377.406 4.425 10 1 GICF C[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359389 YKCINBARBXMXAU-UNMCSNQZSA-N 380.371 4.217 10 1 GICF Cc1cc2c(c3oc(C(=O)c4ccccc4)cc13)C(=O)c1c(O)cccc1C2=O 473082037 FOSFWXADYYIRET-UHFFFAOYSA-N 382.371 4.453 10 1 GICF CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587802858 VLFOBCSHWDTICC-WYRIXSBYSA-N 394.284 4.490 10 1 GICF CNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772602161 JTPNJZWYZSLJFR-HTAPYJJXSA-N 397.519 4.122 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c21 587088880 UINJMDDGAXCZDX-LLVKDONJSA-N 393.393 4.088 10 1 GICF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)c(CO)cc(OC)c12 15121572 UORJGZQGXAWGDM-UONOGXRCSA-N 393.483 4.317 10 1 GICF biogenic CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N3CCN(CC)CC3)cc2)N1 962963785 XAQZDMSIGFBHMA-YADARESESA-N 388.559 4.324 10 1 GICF O=C(NCc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952423 SPAGGYQRVVFOQX-FRQCXROJSA-N 388.389 4.355 10 3 GICF Oc1ccc(Cl)c2c1CN[C@@H](CN1CCC3(CCc4ccccc43)CC1)C2 137466796 HBTHUUQDNVQVHD-QGZVFWFLSA-N 382.935 4.040 10 1 GICF CS(=O)(=O)c1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 586926910 RESRNLJJCMOTSH-UHFFFAOYSA-N 379.441 4.008 10 1 GICF COc1cc(OC)c(OC)cc1C/N=N/c1ncnc2c1[nH]c1ccccc12 169690447 HUFBUAJAILYSBS-WJTDDFOZSA-N 377.404 4.421 10 1 GICF Cc1cc(C)n(CCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)n1 253920483 DGGCLIZYLJYSHZ-UHFFFAOYSA-N 390.241 4.150 10 1 GICF O=C(NCc1ccc(N2CCCCCC2)c(F)c1)Nc1cccc2[nH]ncc12 14973517 OZVDNARXVLZFDS-UHFFFAOYSA-N 381.455 4.404 10 1 GICF CC(C)[C@H]1c2cc(O)c(O)cc2CCN1C(=S)NCc1ccc(Cl)cc1 1857584619 ZTMPVNDMHSUWJQ-IBGZPJMESA-N 390.936 4.381 10 1 GICF COc1c(O)c(O)c2c(oc3oc(C=Cc4ccccc4)cc(=O)c32)c1OC 2356466064 QXEBIXCIMOCZGN-UHFFFAOYSA-N 380.352 4.138 10 1 GICF Cc1ccsc1C(=O)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 28765420 UIMYOGGUEFVLGB-UHFFFAOYSA-N 399.560 4.206 10 1 GICF Cc1c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)oc2c1[C@H](O)CCC2 586904791 ZXFRJCUIZQURLO-MRXNPFEDSA-N 398.418 4.276 10 1 GICF COc1cccc2cc3c(nc12)[C@H](c1cc2c4c(c1)CCCN4CCC2)NCC3 963028043 BMLVPPOAEAOXOP-QHCPKHFHSA-N 385.511 4.177 10 1 GICF CCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772619429 RUEPHFBXOHVQKS-SBUREZEXSA-N 382.504 4.330 10 1 GICF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2n1 587275558 DSGLMPKYPXNQIA-ZJNRKIDTSA-N 377.404 4.010 10 1 GICF CCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2 27722647 DZOVEWIGQBAVLZ-JMUQELJHSA-N 393.575 4.460 10 1 GICF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)CF 149639707 LMTWRDPMEGUSLW-KRWDZBQOSA-N 396.506 4.096 10 1 GICF COc1ccc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)cc1 26501217 LVILLUYRSUCDBT-UHFFFAOYSA-N 380.532 4.165 10 1 GICF CCCCCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 103297455 SANXFTFIJQKOFX-UCNVEGJOSA-N 381.564 4.225 10 1 GICF CC(=O)OCN(C)/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 45287661 FNYQNCJFPUACPB-WCWDXBQESA-N 384.827 4.478 10 1 GICF COc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(Cl)n1 587084333 YTSWPNPZUSETPW-UHFFFAOYSA-N 389.798 4.062 10 1 GICF COc1cc(O)c2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587810453 SSZMTJFFUDJSLQ-GIGQVBGESA-N 392.268 4.026 10 1 GICF CN1CCN(c2ccc3c(c2)[C@@H]2CCN(C(=O)OCc4ccccc4)[C@@H]3C2)CC1 1772626100 ALWDGZPJWUVDDR-AUSIDOKSSA-N 391.515 4.009 10 1 GICF Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)cc2)cc1 35015267 MQDQSJHQEJVZKU-MRXNPFEDSA-N 393.487 4.181 10 1 GICF COc1cccc(O)c1CN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 55198807 JDDWQQMMYFXZHN-QHCPKHFHSA-N 384.495 4.028 10 1 GICF CCC1=NN2C(=N)C(=Cc3cccn3-c3cccc(Cl)c3)C(=O)N=C2S1 1857595077 NHFMGIPPTRQBJU-UHFFFAOYSA-N 383.864 4.160 10 1 GICF O=C(NCCCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1 12352708 BBURPEOWPXBPIQ-UHFFFAOYSA-N 376.456 4.073 10 1 GICF Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1 103966392 UKOHKKCMHZPQKF-VHEBQXMUSA-N 394.250 4.417 10 1 GICF Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 1631755 XVJJTHWRHWWTBX-UHFFFAOYSA-N 378.436 4.064 10 1 GICF CC(=O)N[C@H](C)CCc1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1 149969646 PEZFZTGICKPHLV-QGZVFWFLSA-N 378.516 4.289 10 1 GICF Cc1cc2c(cc1F)[C@](CC(C)(C)C(=O)O)(c1ccc(N(C)C)cc1)NCC2 962296171 FEWMFOFXEPVIHV-QHCPKHFHSA-N 384.495 4.090 10 1 GICF COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1OC 96938901 FPWKXUOSFBLZOU-GOSISDBHSA-N 378.428 4.010 10 1 GICF CCc1cc(OC)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809870 VNMUSKDDCVANRN-MLCYQJTMSA-N 394.284 4.488 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)cc2O)N1 587692519 KZBHPYRGOGZFSO-QZTNRIJFSA-N 386.648 4.276 10 1 GICF Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CN[C@H]1CN2CCC1CC2 23363270 SXBXITHAUKZVFU-QFIPXVFZSA-N 393.918 4.445 10 1 GICF COc1ccc(N2CCN(C(=S)Nc3ccccc3Cl)C[C@@H]2C)cc1 45337343 BAKGLGYKRRYTED-AWEZNQCLSA-N 375.925 4.256 10 1 GICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3C)C2)cc1 142279073 HRUXQRDWXYOITO-INIZCTEOSA-N 380.488 4.001 10 1 GICF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587094069 JFZOUPNQZODGGT-SNVBAGLBSA-N 378.354 4.067 10 1 GICF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823912 XECIEJUPRTVEGE-YPMLDQLKSA-N 380.257 4.106 10 1 GICF Cc1ccc(SCc2nc3c(Cn4ccnc4C)c(O)ccc3n2C)cc1 64559182 GMSIJBORYWOOBQ-UHFFFAOYSA-N 378.501 4.433 10 1 GICF COC(=O)c1c(OC)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O 28569311 UOWBWTAGELTSTG-UHFFFAOYSA-N 386.359 4.157 10 1 GICF CC(C)=CCC/C(C)=C/Cc1cccc2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12 169717690 KVZPSBZDECSNDA-XNTDXEJSSA-N 391.467 4.167 10 1 GICF COc1ccc2c(c1)[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1O)N(C(C)C)CC2 962094720 WYWZIOLGEZRAJN-SFHVURJKSA-N 376.840 4.318 10 1 GICF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1OCc1ccccc1 1772629503 VPFHWEZRFNCCPP-ACCUITESSA-N 390.435 4.476 10 1 GICF COc1ccc(N2C(=O)O/C(=C3/C(=O)N(c4ccccc4)N=C3C)C=C2C)cc1 29060884 ZFVCYKZIUUUNND-FMQUCBEESA-N 389.411 4.232 10 1 GICF CCOc1ccccc1NC(=S)N1CCN(c2ccc(OC)cc2)[C@H](C)C1 33613063 XVPIUCITNXCOQG-MRXNPFEDSA-N 385.533 4.001 10 1 GICF CN(CCO)c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587192755 BSKLBLNYAJYWQK-UHFFFAOYSA-N 385.773 4.210 10 1 GICF Cc1c(CN2CCOCC2)cc(-c2ccc(Cl)cn2)n1-c1ccc(F)cc1 1857656322 VETSAILANOMGIY-UHFFFAOYSA-N 385.870 4.472 10 1 GICF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NC1CCCCC1 8300195 QGCXSMPIPBFEFM-ROUUACIJSA-N 388.552 4.088 10 1 GICF biogenic CN1C(=O)CCc2ccc(Sc3ncc([C@@]4(C)COC(C)(C)O4)s3)cc21 27308536 XWMLUMMIVBTXIO-LJQANCHMSA-N 390.530 4.201 10 1 GICF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(CN(C)C)c1O 587507628 ROYGBEIKICALOZ-FQEVSTJZSA-N 381.472 4.048 10 1 GICF COc1ccccc1CNC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 28821309 AFDVSCYTWJLQJA-UNOMPAQXSA-N 375.453 4.004 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(Cl)nc3F)[nH]c21 587178120 QQFDTQLAYIOKBI-UHFFFAOYSA-N 377.762 4.193 10 1 GICF COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)c(CO)cc(OC)c12 15121571 UORJGZQGXAWGDM-KBPBESRZSA-N 393.483 4.317 10 1 GICF biogenic COc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1OC 72178820 DMAKOHLBOCXMCN-DEOSSOPVSA-N 393.483 4.109 10 1 GICF c1cc(N2CCCC2)ccc1CN1CCC[C@@H](Nc2ccc3[nH]ncc3c2)C1 114332844 SOXNYIWWQIFJRI-OAQYLSRUSA-N 375.520 4.240 10 1 GICF O=C(NCc1ccccc1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 15952426 SPAGGYQRVVFOQX-BXWFABGCSA-N 388.389 4.355 10 1 GICF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2c2ccc(C)o2)cc1 28950867 RMWLSXCOPQHABL-NRFANRHFSA-N 379.412 4.369 10 1 GICF C[C@@]1(CCc2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605922 BTNHXTKHLDMHBH-REWPJTCUSA-N 392.407 4.157 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)cc2O)N1 587692518 KZBHPYRGOGZFSO-HYORBCNSSA-N 386.648 4.276 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N(C)C)cc2O)N1 587754781 LBECAOCINCGFHK-WLRWDXFRSA-N 393.300 4.158 10 1 GICF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccccc3)cc(O)c21 653846289 UNNIQVZBBXJIIL-AHKGRUIUSA-N 386.403 4.010 10 1 GICF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4nc(O)nc(O)c4cc3[C@@H]12 587560844 LEJRGCRPTCNSOT-HTAPYJJXSA-N 393.443 4.079 10 1 GICF COc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(O)c1O 587785304 LARHNSDNANZNIA-SREVYHEPSA-N 384.395 4.250 10 1 GICF CCOc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802685 TWZCMIJDERKPPH-WLRWDXFRSA-N 394.284 4.490 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)c3ccccc3Cl)[nH]c21 587059985 XDSCGPUQAAZLLM-NRFANRHFSA-N 388.810 4.073 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(F)cc2F)N1 587718712 JGNFIYLBTPUUSJ-CQLKUDPESA-N 386.211 4.370 10 1 GICF CN(CCN=[N+]=[N-])CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 45287439 ZNKMCDBTNJNYRP-UHFFFAOYSA-N 380.839 4.143 10 1 GICF O=C(c1cc2c(s1)CCC2)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295962 CGXGKKFHLCFONP-GOSISDBHSA-N 389.480 4.329 10 1 GICF O=C1CCCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12 1857613484 CRXWLDJVYBNPNY-UHFFFAOYSA-N 377.396 4.301 10 1 GICF O=C(COc1ccccc1)N[C@H](c1ccccc1)c1ccc2cccnc2c1O 40414260 VYAXHBNTFVGJFX-JOCHJYFZSA-N 384.435 4.225 10 1 GICF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C)C2)c(C(F)(F)F)c1 103252689 CKQBIZVEVNNJAA-ZDUSSCGKSA-N 398.429 4.155 10 1 GICF O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O 40414256 VYAXHBNTFVGJFX-QFIPXVFZSA-N 384.435 4.225 10 1 GICF Cc1cccc(-c2nnc([C@H](Cc3ccccc3)N3C(=O)CSC3=S)o2)c1 103265669 HQDVZXFATYJEQX-INIZCTEOSA-N 395.509 4.189 10 1 GICF Nc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1 198564948 UNXIJXSXWWHSNU-UHFFFAOYSA-N 391.421 4.480 10 1 GICF COc1cc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc(OC)c1OC 299866505 VZKSNXNZGSBCGC-CYBMUJFWSA-N 390.867 4.127 10 1 GICF CC(C)c1cccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1O 962966481 MJZHWCMPLUMYIF-WMLDXEAASA-N 381.806 4.136 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@](F)(Cl)C(F)(F)F)[nH]c21 587089654 FQURIODAOZMCNA-MRXNPFEDSA-N 382.700 4.262 10 1 GICF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805428 FAMDJVFKRBZVDI-MLCYQJTMSA-N 380.257 4.100 10 1 GICF Cc1ccc(C)n1-c1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587652935 PBGHOOQZFBDOMN-UHFFFAOYSA-N 377.831 4.146 10 1 GICF CCCc1nn(-c2cccc(OC)c2)c2ncnc(/N=N/Cc3ccncc3)c12 169685283 MPTRKIGJPFCZIE-OCEACIFDSA-N 387.447 4.456 10 1 GICF CCN(CC)c1ccc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731006 PVXVVIHKKGUXPB-PZJWPPBQSA-N 390.449 4.442 10 1 GICF O=C1/C(=C\Nc2cc(-c3ccco3)[nH]n2)C(c2ccccc2)=NN1c1ccccc1 72175849 DXZPEXCGZMCUFX-SDXDJHTJSA-N 395.422 4.417 10 1 GICF Cc1cc(C)n(CCC(=O)/N=N\c2c(O)[nH]c3ccc(Br)cc23)n1 102414204 DGGCLIZYLJYSHZ-VXPUYCOJSA-N 390.241 4.150 10 1 GICF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1 95755392 HKRPUUMIIKBUTJ-DHDCSXOGSA-N 390.367 4.099 10 1 GICF Cc1cc2c(cc1F)[C@@](CC(C)(C)C(=O)O)(c1ccc(N(C)C)cc1)NCC2 962296169 FEWMFOFXEPVIHV-HSZRJFAPSA-N 384.495 4.090 10 1 GICF C[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359382 YKCINBARBXMXAU-IRLDBZIGSA-N 380.371 4.217 10 1 GICF Nc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 299838983 WROUJZKUNBYJCS-UHFFFAOYSA-N 386.539 4.459 10 1 GICF CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(N(C)C)cc2)CC1 206489576 MWJHCPAMKXFGEE-UHFFFAOYSA-N 380.532 4.141 10 3 GICF C[C@H](NC(=O)CF)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149954631 YZQHYQVSNDVGCJ-INIZCTEOSA-N 382.479 4.226 10 1 GICF O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1=CC=CCC1=S 41747182 JPPJKLYTTXQCEO-UHFFFAOYSA-N 399.479 4.477 10 1 GICF COc1cc2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c(Cl)n(C)c2cc1C 58638880 WVQUWQLCUBJJAT-CXUHLZMHSA-N 382.847 4.371 10 1 GICF O=C(O)CCN1C(=O)/C(=C/c2cccc(Nc3ccccc3)c2)SC1=S 1857647937 ZBZFUPFDQROTDD-VBKFSLOCSA-N 384.482 4.106 10 1 GICF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2 100802891 VUMBHSIUPKOPEK-GXRSIYKFSA-N 398.934 4.274 10 1 GICF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587268456 YPUPTRGPIGXFGA-UHFFFAOYSA-N 392.419 4.214 10 1 GICF COc1cc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)cc(O)c1O 587785034 HFDDRHOHDJASLX-NSCUHMNNSA-N 379.185 4.055 10 1 GICF COc1cc2c(c(OC)c1OC)/C(=C\c1c(Cl)[nH]c3ccccc13)C(=O)N2 169310826 WMSQQPRXVNZJFE-XYOKQWHBSA-N 384.819 4.340 10 1 GICF O=C1C[C@H](c2ccc(O)c(O)c2)c2c(/C=C/c3ccc(O)cc3)cc(O)cc2O1 198596267 NUAVFMGJHRKKIX-HVTRQVLWSA-N 390.391 4.120 10 1 GICF O=C1c2ccccc2C(=O)C1[C@@]1(c2ccccc2)NCCc2cc(Cl)ccc21 963391486 UVMNITDIGJZHDT-DEOSSOPVSA-N 387.866 4.425 10 1 GICF COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OC(C)=O 1857772367 OBKOJKXRYXODAJ-LICLKQGHSA-N 384.819 4.080 10 1 GICF O=C1c2ccccc2-c2c1c1ccc(Cl)cc1c(=O)n2CCCn1ccnc1 473168271 LCQRMXRWGJFSLG-UHFFFAOYSA-N 389.842 4.153 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3cccnc23)N1 587776993 FJIPKFGGHBJYEZ-DGIBIBHMSA-N 387.252 4.466 10 1 GICF COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(CN(C)C)cc3)c2C)cc1 64549113 ASFZHNBAYRIHSR-UHFFFAOYSA-N 391.515 4.094 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ncnc3[nH]1)[C@@H]1CC=C[C@@H]21 587271737 HUVUQNIXMKCGBL-GYSYKLTISA-N 382.811 4.049 10 1 GICF COc1ccc(C=O)c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c1OC 587786236 KFUWGXBPLKPIFN-UHFFFAOYSA-N 389.411 4.434 10 1 GICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccc(O)cc1 103193024 DFIULZPDNBARON-QFIPXVFZSA-N 375.428 4.039 10 1 GICF Cc1c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)sc2ccc(Cl)cc12 114594519 ONPHUYMFCNCLBZ-UHFFFAOYSA-N 397.861 4.068 10 1 GICF Oc1ccc2cccnc2c1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961610998 CJZZJQNKNDRFEM-LJQANCHMSA-N 381.273 4.471 10 1 GICF O=C(Nc1ccnnc1)c1cc(N2CCCCC2)ccc1OCc1ccccc1 1857542026 KRBIFAYXNSUPPW-UHFFFAOYSA-N 388.471 4.298 10 1 GICF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@H]1C[C@@H]2C=C[C@@H]1C21CC1 101912627 RGFYYSAZVKHFLW-HOJAQTOUSA-N 375.468 4.480 10 1 GICF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(Cl)ccc(Cl)c1O 963041932 ZTRQWVUYRGQDCG-GOSISDBHSA-N 375.255 4.491 10 1 GICF CCCCCc1cc(O)nc2c1C(=O)c1c(CCCCC)cc(O)nc1C2=O 2356832236 JTXSSZYKSHIXRS-UHFFFAOYSA-N 382.460 4.129 10 1 GICF CCN1C(=O)/C(=C/c2ccc(-c3ccsc3C(=O)OC)o2)SC1=S 13487532 WCQHNBIGYHCYAX-WQLSENKSSA-N 379.484 4.016 10 1 GICF CCc1nc(N)nc(N)c1-c1ccc2c3ccccc3n(CCCOC)c2c1 14966601 MLSVRCGEBXIIQO-UHFFFAOYSA-N 375.476 4.015 10 1 GICF in-vivo CCOc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587801786 NMBNHOWLKVUHKG-NSPYISDASA-N 394.284 4.490 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCOCc3ccccc3)[nH]c21 587566877 ZQXAQRSLJRAFNI-UHFFFAOYSA-N 382.419 4.098 10 1 GICF CCOc1ccccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587780407 SFHVQSUQIZGMLQ-UHFFFAOYSA-N 398.418 4.316 10 1 GICF CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(=O)Nc2ccc(N)cc2)cc1 653760967 SZLHZPSRNICFQG-KRWDZBQOSA-N 381.520 4.106 10 1 GICF Cc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 45347330 ZWSPQUPCMHFGAD-GHVJWSGMSA-N 380.447 4.447 10 1 GICF CN(CCC=C1c2ccccc2CCc2ccccc21)CCCP(=O)(O)O 299865578 NWPXNXJISVADFT-UHFFFAOYSA-N 385.444 4.107 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CO)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275372 CVSFIJABUDXXFX-MDOVXXIYSA-N 376.416 4.098 10 1 GICF CC(=O)Nc1ccc(CNc2ccccc2C(=O)c2n[nH]c3ccccc23)cc1 40394995 ZPBNIPQTFAOMCK-UHFFFAOYSA-N 384.439 4.364 10 1 GICF COc1ccc([C@@H]2CC(=O)N(Cc3ccc(N)cc3)C2)cc1OC1CCCC1 3784478 DBRURKICGBSTER-GOSISDBHSA-N 380.488 4.115 10 1 GICF O=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O 102941029 ILVOVXIEFRNHEZ-UHFFFAOYSA-N 398.389 4.300 10 1 GICF COc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804699 BQKILWLSPSGTIQ-MGNBDDOMSA-N 380.257 4.100 10 1 GICF CC[C@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587821274 GZAJNGIQPOLNDG-XTZNXHDOSA-N 380.257 4.187 10 1 GICF O=C(N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 5042694 NOSJDLVTDMTHKP-KRWDZBQOSA-N 379.803 4.101 10 1 GICF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2 13454953 VUMBHSIUPKOPEK-CBPXPLCBSA-N 398.934 4.274 10 1 GICF CCOc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800068 FINTYEYVYDICCZ-NSPYISDASA-N 394.284 4.490 10 1 GICF COc1cc2c(cc1OC)[C@@](C)(c1cc(C)c3c(c1O)CCC3)N(C)[C@H](C)C2 962626993 GKJYRHBBTAZNAS-MYYSRTQBSA-N 381.516 4.346 10 1 GICF C[C@@H]1C[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2c(O)c(Cl)cc(Cl)c21 962911140 PAECJTBCNZOGDY-JWFHJUJYSA-N 396.245 4.188 10 1 GICF O=C(O)[C@@H]1CCCN(CCOCCc2cccc(/N=N/c3ccccc3)c2)C1 299835031 VGZLTSKIWGVWCM-FYTMPNSFSA-N 381.476 4.458 10 1 GICF COc1cc2c(cc1OC)[C@H](CCCN=[N+]=[N-])N(C(=O)c1ccccc1N)CC2 963139699 KXHZOVOWPLENMG-SFHVURJKSA-N 395.463 4.116 10 1 GICF Cc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(=O)O)cc1 169688384 OELQHGQYLOYMKB-QURGRASLSA-N 379.376 4.379 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3c(F)cncc3Cl)[nH]c21 587176649 ZFGATIQRJSYGCD-UHFFFAOYSA-N 391.789 4.117 10 1 GICF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805429 FAMDJVFKRBZVDI-XTZNXHDOSA-N 380.257 4.100 10 1 GICF COc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587810361 WWYYJCPBMIMCMR-MGNBDDOMSA-N 380.257 4.100 10 1 GICF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823910 XECIEJUPRTVEGE-MLCYQJTMSA-N 380.257 4.106 10 1 GICF CCN(CC)c1ccc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731005 PVXVVIHKKGUXPB-FPOVZHCZSA-N 390.449 4.442 10 1 GICF O=C1c2ccccc2-c2onc3c(NCCO)cc(NC4CCCCC4)c1c23 8603415 PVXJZRKYFQOWSY-UHFFFAOYSA-N 377.444 4.188 10 1 GICF aggregator Cc1cc(C2(c3cc(C)c(N)cc3F)C(=O)c3ccccc3C2=O)c(F)cc1N 98084685 IHTOLEJSHJQBQT-UHFFFAOYSA-N 392.405 4.111 10 1 GICF O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1 15952486 KECMZASBKJCDSY-UHFFFAOYSA-N 383.347 4.245 10 3 GICF Cc1cc(C)cc(COC(=O)c2cc(NCc3cc(O)ccc3O)ccc2O)c1 834332 VFBKLVOROFEVPG-UHFFFAOYSA-N 393.439 4.389 10 1 GICF Oc1csc(/N=N/Cc2cc(Br)cc(Br)c2O)n1 169723072 DIOFOVKKHUKVGB-FYWRMAATSA-N 393.060 4.363 10 1 GICF Cc1cc(C=O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587821832 KBMPHMLGBOSLLW-BMLIUANNSA-N 378.241 4.038 10 1 GICF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cnc2ccccc2c1 96934683 VOAMKHPAWRGBDC-RDGATRHJSA-N 381.431 4.493 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4(C)CC4)cc3)C2)cc1 142316399 MWBDJQGKYGZFKS-KRWDZBQOSA-N 394.515 4.330 10 1 GICF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(O)c(O)c1 587864603 MXHOEWDYQKLWKR-UHFFFAOYSA-N 392.333 4.067 10 1 GICF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)c(C)c1O 98209246 PJXWUXARDBIOKJ-GHVJWSGMSA-N 397.460 4.202 10 1 GICF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(F)c2O)N1 587722901 UFYDSPQNSFPSCA-QPFGOUBPSA-N 386.211 4.370 10 1 GICF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(O)c(O)cc32)[C@@H]1c1ccc(F)cc1 587358548 WRPRGPOKDHESQQ-FYYLOGMGSA-N 392.382 4.143 10 1 GICF COc1cc2c(cc1OC)[C@@H](CCCN=[N+]=[N-])N(C(=O)c1ccccc1N)CC2 963139698 KXHZOVOWPLENMG-GOSISDBHSA-N 395.463 4.116 10 1 GICF Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)c(C)c1 49049150 DJYMMJYLHKXQHO-UHFFFAOYSA-N 398.444 4.329 10 1 GICF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OC(F)(F)O4)C2)cc1 96172858 ZFVOKYFNRGARTD-CYBMUJFWSA-N 389.398 4.358 10 1 GICF CCOc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801340 KIOSFLKULWIWNW-WYRIXSBYSA-N 394.284 4.490 10 1 GICF CC(=O)C[C@@]1(c2ccccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587826515 AVRMEDWRJRSPSM-WYRIXSBYSA-N 392.268 4.051 10 1 GICF CCC[C@@H](CN1C(=O)/C(=C/c2ccc(SC)cc2)SC1=S)C(=O)O 1772611152 GSKAEPDTUFJJFW-CJAAZZPWSA-N 381.544 4.111 10 1 GICF Cc1csc(-c2cc(-c3cccn3C)c3n(c2=O)CCCc2ccncc2-3)n1 29407863 QVKRJAGEEGDZOB-UHFFFAOYSA-N 388.496 4.294 10 1 GICF O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 299864623 MRGBKKRCSBNYAO-FQEVSTJZSA-N 397.906 4.209 10 1 GICF CNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772602162 JTPNJZWYZSLJFR-JTSKRJEESA-N 397.519 4.122 10 1 GICF COc1cc(/C=C\c2nc3cc(C)c(Br)cc3[nH]2)cc(O)c1O 587784965 GHUBUMBEVKXEOL-ARJAWSKDSA-N 375.222 4.224 10 1 GICF Oc1ccccc1CNC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 45187204 CGQJRJPTOKWVIG-HNNXBMFYSA-N 379.300 4.253 10 1 GICF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(O)c(O)cc32)[C@H]1c1ccc(F)cc1 587358552 WRPRGPOKDHESQQ-GMAHTHKFSA-N 392.382 4.143 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c(F)c2)N1 587724706 LIJFEIWLZSXQGL-XTZNXHDOSA-N 381.264 4.417 10 1 GICF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772584692 DZHZLGLKOBBUDH-WZONZLPQSA-N 396.531 4.371 10 1 GICF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 587271033 XOTPDKSTCLHNDD-SFHVURJKSA-N 389.415 4.088 10 1 GICF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(Cl)ccc(Cl)c1O 963041938 ZTRQWVUYRGQDCG-SFHVURJKSA-N 375.255 4.491 10 1 GICF CCc1c(-c2cc(O)c(O)cc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990460 FSUVUQZTAGVVPE-UHFFFAOYSA-N 399.402 4.498 10 1 GICF Nc1ccc(Oc2ccc3[nH]c(-c4cccnc4SCC(=O)O)nc3c2)cc1 586967592 BNPAEFCVTVGHSI-UHFFFAOYSA-N 392.440 4.176 10 1 GICF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccc(N3CCCCCC3)cc1)NCC2 962928062 GJOGXGQZOMWMRT-RUZDIDTESA-N 391.559 4.178 10 1 GICF O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc1oc3cc(O)c(O)cc3c21 199717282 ZXWMKYBQWBZFAK-MRXNPFEDSA-N 378.336 4.115 10 1 GICF COc1cc2c(cc1OC)[C@](C)(c1cc(C)c3c(c1O)CCC3)N(C)[C@@H](C)C2 962626982 GKJYRHBBTAZNAS-IZHWHUGBSA-N 381.516 4.346 10 1 GICF [N-]=[N+]=NCC1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40406618 CKIPBWVJLNBRGT-NRFANRHFSA-N 376.464 4.137 10 1 GICF CC(C)CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccccc1 147283155 TXYAEBIKBIVGFQ-UHFFFAOYSA-N 386.561 4.275 10 1 GICF COC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587078650 YGMXELUIUFFZIE-JKDFXYPNSA-N 380.835 4.224 10 1 GICF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc2c(c1)CCN2Cc1ccccc1 963125992 VGRMDWDCSWMSHC-XMMPIXPASA-N 384.479 4.183 10 1 GICF O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc1c2oc2cc(O)c(O)cc21 238733251 NFHAGMCGVRLIOV-KRWDZBQOSA-N 378.336 4.115 10 1 GICF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OC)n(C)c3ccccc13)CC2=O 587471795 VCJZTUFKNRPDKW-IBGZPJMESA-N 393.439 4.330 10 1 GICF Cc1ccc(CNC(=S)SCc2nc(O)c3cc(C)sc3n2)cc1 1857633264 XJUXKYBLJJXRTD-UHFFFAOYSA-N 375.544 4.322 10 1 GICF COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1CC=C(C)C 14648323 CWRZCQHHWZDORT-UHFFFAOYSA-N 398.411 4.103 10 1 GICF biogenic O=C1c2ccc(O)cc2O[C@]2(CCc3c2ccc(O)c3O)[C@@H]1c1ccc(F)cc1 587357658 VACCBHUIFPTLAP-OFNKIYASSA-N 392.382 4.143 10 1 GICF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801548 LOIOEMZIUDXKGJ-YPMLDQLKSA-N 380.257 4.316 10 1 GICF CC(=O)Nc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2c1O 95872232 JRNNQGNKVKIYRM-UHFFFAOYSA-N 398.484 4.230 10 1 GICF Cc1oc2c(c1-c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)C(=O)CCC2 586904559 XCYKAFAFRJHQCA-UHFFFAOYSA-N 396.402 4.426 10 1 GICF O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1 653795253 MMAAMLFSPKMXOH-DHZHZOJOSA-N 391.496 4.299 10 1 GICF O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 299864624 MRGBKKRCSBNYAO-HXUWFJFHSA-N 397.906 4.209 10 1 GICF COc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809231 RYILUPXHRKYWBS-MGNBDDOMSA-N 380.257 4.100 10 1 GICF Cc1cc(C=O)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587823549 UVNOBVGMFYJQJQ-DYZYQPBXSA-N 378.241 4.038 10 1 GICF O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCc3ccc(F)cc3)cc(O)c12 169352815 KVMUMOWQTHCCIP-UHFFFAOYSA-N 394.354 4.295 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(SC(=O)N3CCCCC3)[nH]c21 103265445 AGIRSQWTVBAWBC-UHFFFAOYSA-N 391.452 4.036 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OCCN3C)N1 587769920 BTWPJZUBEMSCCY-NSPYISDASA-N 391.284 4.040 10 1 GICF Cc1c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)oc2c1[C@@H](O)CCC2 586904790 ZXFRJCUIZQURLO-INIZCTEOSA-N 398.418 4.276 10 1 GICF Cc1cc(C=O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587822711 QFKZUGHDTXQDCT-BTDLBPIBSA-N 378.241 4.038 10 1 GICF CS(=O)(=O)NCc1ccccc1Nc1c2ccccc2nc2ccccc12 5141397 XCXMOXLCWOSMFL-UHFFFAOYSA-N 377.469 4.181 10 1 GICF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)cc1 35013058 MDLKZXAOZCNEOD-NRFANRHFSA-N 387.439 4.096 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)O)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276296 KHKPDBLTBZNCBA-KSMMKXTCSA-N 390.399 4.304 10 1 GICF O=C(NCc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 103754620 SPAGGYQRVVFOQX-JTDSTZFVSA-N 388.389 4.355 10 3 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3cccnc23)N1 587779414 SDJCVAKYCSSOQM-OVWNDWIMSA-N 387.252 4.466 10 1 GICF CC(C)n1c(O)c(/N=N\C(=O)CNC(=O)CCc2ccccc2)c2ccccc21 102588223 QTCCUPXMJOJMJL-IZHYLOQSSA-N 392.459 4.287 10 1 GICF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586948694 SLWCVTIALGINAO-UHFFFAOYSA-N 395.440 4.099 10 1 GICF CC(=O)OC1CCN([C@@H](c2ccncc2)c2c(O)ccc3ccccc23)CC1 72181113 IUNJNJLAQZONJW-QHCPKHFHSA-N 376.456 4.057 10 1 GICF C[C@@H]1C[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2c(O)c(Cl)cc(Cl)c21 962912220 PAECJTBCNZOGDY-UGCVXBOVSA-N 396.245 4.188 10 1 GICF COc1c2c(cc3oc4oc5cc(O)c(O)cc5c4c(=O)c13)OC(C)(C)C=C2 43071474 IIPPFLXNSSHPQF-UHFFFAOYSA-N 380.352 4.296 10 1 GICF biogenic O=C1c2ccc(O)cc2O[C@]2(CCc3c2ccc(O)c3O)[C@H]1c1ccc(F)cc1 587357661 VACCBHUIFPTLAP-REWPJTCUSA-N 392.382 4.143 10 1 GICF Cc1cc(C=O)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823796 WDCRZULOZMZVFG-BMLIUANNSA-N 378.241 4.038 10 1 GICF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)cc1 587194704 AEYGHMSILLBORK-UHFFFAOYSA-N 391.460 4.496 10 1 GICF CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587802201 PXVTUHWYOBRGGQ-BMLIUANNSA-N 380.257 4.316 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCO4)[C@H]1CC=C[C@@H]21 587277495 WZZJQARELMZVFW-UVARLRKDSA-N 390.399 4.335 10 1 GICF Cc1cc2c(cc1F)[C@]1(C[C@@H](C)c3c(Br)ccc(O)c31)NCC2 962090260 HXNSZUFDPXJRGF-WYRIXSBYSA-N 376.269 4.499 10 1 GICF CCCCOc1cccc2c1C(=O)c1c(OCCCC)cc(CO)cc1C2=O 473154723 KVFNBLJYFYUHFJ-UHFFFAOYSA-N 382.456 4.312 10 1 GICF Cc1cc(C)n(CCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n1 101712775 DGGCLIZYLJYSHZ-FMQUCBEESA-N 390.241 4.150 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1 209119543 MJHBKHWHZRMWAK-GAJHUEQPSA-N 394.515 4.391 10 1 GICF COc1ccc([C@@H]2CC(c3ccc(OCC=C(C)C)cc3O)=NN2C(C)=O)cc1 64528332 FAAPNJDZQUXWKY-QFIPXVFZSA-N 394.471 4.443 10 1 GICF O=C1C(=O)[C@@H](Cc2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc21 169721151 YOVMUZWCCKDGJQ-FQEVSTJZSA-N 388.394 4.212 10 1 GICF CC(=O)C[C@@]1(c2ccccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587834580 SFWWXHBPSUAGDG-WYRIXSBYSA-N 392.268 4.051 10 1 GICF Cc1cc(F)ccc1C1CCN(C[C@H]2Cc3c(Cl)ccc(O)c3CN2)CC1 653739244 IXFUXXZRMXAXCX-QGZVFWFLSA-N 388.914 4.387 10 1 GICF CCOc1cccc(-c2nc(CN3CCN(c4ccc(OC)cc4)CC3)co2)c1 72174690 ICCIBNYDJJNEJO-UHFFFAOYSA-N 393.487 4.071 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OCCN3C)N1 587769909 BTWPJZUBEMSCCY-JEOXALJRSA-N 391.284 4.040 10 1 GICF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(Cc1ccccc1)c1ccccc1O 963613636 VFAQSVNCWRZEET-GKVSMKOHSA-N 389.495 4.430 10 1 GICF COc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1/C=C1\SC(=S)NC1=O 1772633013 ZVIXGKRYUOMUKV-PXNMLYILSA-N 396.493 4.341 10 1 GICF CC(C)(C)OC(=O)N1CC=C(c2cccc3c2C(=O)c2ccccc2C3=O)CC1 1857573653 WAAULLSROCPWBM-UHFFFAOYSA-N 389.451 4.486 10 1 GICF O=C(O)c1cc(-n2c(-c3ccc([N+](=O)[O-])cc3)cc3c2CCCC3)ccc1O 39194373 JAUMWMUGOSFEHT-UHFFFAOYSA-N 378.384 4.335 10 1 GICF O=C(NCc1ccccc1O)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 84602548 KYTBXVRSVFWBHP-UHFFFAOYSA-N 393.483 4.201 10 1 GICF CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587801581 MDCWEFMESMBSJK-BMLIUANNSA-N 380.257 4.316 10 1 GICF CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@H](CC)C(=O)N1CC1CCCCC1 100980420 UFBJPODYSKVKAX-MRXNPFEDSA-N 387.525 4.181 10 1 GICF CCOc1cccc(O)c1[C@@]1(C)c2cccc(Br)c2CCN1C 963279637 HYHOSTHRQJZWPM-LJQANCHMSA-N 376.294 4.305 10 1 GICF Cc1cccc(/N=N/C(=C2/NCCN2Cc2cnc(Cl)s2)[N+](=O)[O-])c1C 103222819 BSMJCSXIYSVCQC-SMOVNBQISA-N 392.872 4.006 10 1 GICF Cc1ccc2c(c1O)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587830640 FFNCOWLDBPEBDE-WYRIXSBYSA-N 376.269 4.326 10 1 GICF O=C(CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(F)cc1 587163698 UPTNVHAQGVJNDH-UHFFFAOYSA-N 398.393 4.293 10 1 GICF [N-]=[N+]=NCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587509860 JYBUBSHBXBHWNI-QFIPXVFZSA-N 388.427 4.083 10 1 GICF Oc1ccc2nc(-c3cccs3)[nH]c2c1CN1CCC(N2CCCC2)CC1 45202689 WPPHMFYEHHONQY-UHFFFAOYSA-N 382.533 4.057 10 1 GICF CC[C@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587821117 GTAZVQLEKZNHIM-XTZNXHDOSA-N 380.257 4.187 10 1 GICF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(C)C)nc4)s3)[nH]nc21 653819583 DOJFNEFKIDVUSP-UHFFFAOYSA-N 379.489 4.444 10 1 GICF COc1nccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c12 587277248 RJSSDGBHRZNREG-GDZNZVCISA-N 377.404 4.010 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)cc2O)N1 587696293 SWCFNHTVACSPPM-QZTNRIJFSA-N 386.648 4.276 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)cc2O)N1 587696289 SWCFNHTVACSPPM-GYKQLYQFSA-N 386.648 4.276 10 1 GICF COc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(O)c1O 587785313 LARHNSDNANZNIA-VOTSOKGWSA-N 384.395 4.250 10 1 GICF Cc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587821357 HYPHMUSLLCJNIZ-YYSFKGJASA-N 380.257 4.106 10 1 GICF CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)NC2CCCC2)cc1 18066158 FIMBLOMPKVYEQI-IZHYLOQSSA-N 394.475 4.384 10 1 GICF Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(F)c2)N1 53365039 NYBCEKXAQXDDCF-XXBNENTESA-N 390.414 4.483 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3ncccc23)N1 587777931 JZFVSVSBAZWWKY-GIGQVBGESA-N 387.252 4.466 10 1 GICF O=C(c1cc2c(s1)CCC2)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295961 CGXGKKFHLCFONP-SFHVURJKSA-N 389.480 4.329 10 1 GICF Cc1cc(C=O)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823798 WDCRZULOZMZVFG-BTDLBPIBSA-N 378.241 4.038 10 1 GICF Cc1ccc2c(c1O)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830638 FFNCOWLDBPEBDE-WLRWDXFRSA-N 376.269 4.326 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3ncccc23)N1 587777929 JZFVSVSBAZWWKY-APBUJDDRSA-N 387.252 4.466 10 1 GICF O=C(O)c1ccc(NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3361785 YOFXDNOWXQLAML-UHFFFAOYSA-N 389.786 4.371 10 3 GICF CN1CCN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1 12353857 DGNQTZLLWXMKLT-SANMLTNESA-N 399.538 4.296 10 1 GICF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13741078 SQRFIBPVFHDSJA-YEMMFQQESA-N 387.564 4.308 10 1 GICF O=C(O)CCN1C(=O)/C(=C/c2csc3ccc(Cl)cc23)SC1=S 84668923 GDPMGNBUYVVMDO-XGICHPGQSA-N 383.903 4.231 10 1 GICF COc1cc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)cc(O)c1O 587785046 HQFYJSJJDGRLNI-GORDUTHDSA-N 379.185 4.055 10 1 GICF O=C(O)c1ccccc1/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586878456 DRAGKHOBWPMVKO-FMIVXFBMSA-N 394.386 4.207 10 1 GICF O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1c[nH]c2cc(O)c(O)cc12 1857767617 IXICVSDLXZDCTE-UHFFFAOYSA-N 396.462 4.246 10 1 GICF Cc1c(O)ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823152 SRWCNDGPTMLEDR-LZVRBXCZSA-N 380.257 4.106 10 1 GICF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587094068 JFZOUPNQZODGGT-JTQLQIEISA-N 378.354 4.067 10 1 GICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CCCC4)cc3)C2)cc1 142319142 NXRWALCUKJVWST-KRWDZBQOSA-N 394.515 4.473 10 1 GICF Oc1cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c(O)cc1Br 963102531 KPOKLQURJGBBSU-BBATYDOGSA-N 378.241 4.109 10 1 GICF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1 2936915 DCUHKMMUVVQPLV-WMZHIEFXSA-N 390.414 4.234 10 1 GICF CSc1nnc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)o1 64527707 LPQIUEJXUWOSTG-UHFFFAOYSA-N 380.425 4.452 10 1 GICF COc1ccc(N2CCN(c3cc(=O)oc4c3ccc3ccccc34)CC2)cc1 1857572145 ZFPBUGBDMCWBQJ-UHFFFAOYSA-N 386.451 4.281 10 1 GICF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1ccc(N3CCOCC3)cc12 61924074 WHAKZVJXZWNWMW-PGRDOPGGSA-N 378.472 4.094 10 1 GICF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)CC2=O 587468063 ALEOMRFSZSXSHV-OAQYLSRUSA-N 394.431 4.474 10 1 GICF Cc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 8580975 DHKPHKWBWSLFKR-BKUYFWCQSA-N 385.492 4.173 10 1 GICF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cn1 114337457 ZHRFZYLGSURBEH-UHFFFAOYSA-N 381.520 4.056 10 1 GICF Cc1cc(N2CCOCC2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518957 RJHQLHICMVFBEW-QHCPKHFHSA-N 377.484 4.417 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN3C)N1 587766913 OWSICFCCWJUXLY-JEOXALJRSA-N 375.285 4.204 10 1 GICF O=S(=O)(Cc1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 299813057 QCYHHIRMXXZLMS-UHFFFAOYSA-N 394.250 4.250 10 1 GICF O=C(O)[C@@H]1CCCN(CCOCCc2ccccc2/N=N\c2ccccc2)C1 299825152 CYPKVNMTQQPHHG-QNBCRBJRSA-N 381.476 4.458 10 1 GICF CCCC/C=C/c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O 84690417 VBCIGIPAGWIVFH-AATRIKPKSA-N 388.803 4.141 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CO)cc3[nH]1)[C@H]1CC=C[C@H]21 587275371 CVSFIJABUDXXFX-AVYPCKFXSA-N 376.416 4.098 10 1 GICF CCOc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587800314 FNVHDXZLZJPZNO-MGNBDDOMSA-N 380.257 4.316 10 1 GICF CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21 1857763371 MXUXDIPJRBDGEJ-UHFFFAOYSA-N 398.528 4.002 10 1 GICF COc1ccc(-c2cc3c(c(/C=C/N(C)C)n2)C(=O)c2ccccc2C3=O)cc1 96934760 YMGFELCLIKYMLE-OUKQBFOZSA-N 384.435 4.065 10 1 GICF C[C@H](CC(=O)C1CC1)c1ccc(OC2CN(c3ccc4c(c3)OCCO4)C2)cc1 96172874 ZAQDOBUDRQOOOJ-MRXNPFEDSA-N 393.483 4.198 10 1 GICF COc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804706 BQKILWLSPSGTIQ-XTZNXHDOSA-N 380.257 4.100 10 1 GICF CN1CCN(c2ccc(OCc3ccccc3)c(NCc3ccco3)c2)CC1 28955775 LWEJTXFLBPLSDL-UHFFFAOYSA-N 377.488 4.223 10 1 GICF CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CNC3CCCCC3)ccc12 4866187 GBGMXEVTEUZAIX-UHFFFAOYSA-N 390.505 4.164 10 1 GICF CNc1cccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587388070 VHLDDASTIDKECA-XMMPIXPASA-N 384.435 4.072 10 1 GICF CC(C)N[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 2356529363 DGFMGTLKHVREOL-GJPCKUABSA-N 387.520 4.263 10 1 GICF CCCCOc1c(OC)c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 26377966 APJRMVGTJBFYKH-UHFFFAOYSA-N 386.400 4.067 10 1 GICF CCOC(=O)Cc1oc2c(c1-c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 1857636201 MDZVXYVBJXLWLD-UHFFFAOYSA-N 394.810 4.481 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c(F)c2)N1 587726253 WKWWLJRUIZAXGB-YPMLDQLKSA-N 381.264 4.417 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OCCN3C)N1 587773021 IUMAOKRFEUFAAT-WYRIXSBYSA-N 391.284 4.040 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(O)c(O)c2)N1 587821540 ISTYGWRNKWRJBQ-WYRIXSBYSA-N 394.284 4.382 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(F)cc2F)N1 587716052 DDRGYUXZUXIMLI-CQLKUDPESA-N 386.211 4.370 10 1 GICF Cc1cc(C=O)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587823548 UVNOBVGMFYJQJQ-BTDLBPIBSA-N 378.241 4.038 10 1 GICF COc1cccc(O)c1CN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 53201228 JDDWQQMMYFXZHN-HSZRJFAPSA-N 384.495 4.028 10 1 GICF CS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587080584 NLKVJJBPYSAUJH-KSMMKXTCSA-N 399.903 4.446 10 1 GICF COc1ccc(C(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 1857617468 IJOATTDJTQZJOK-WOJGMQOQSA-N 383.494 4.088 10 1 GICF COC(=O)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 587077962 DEAAQJHFZKEGCF-IUUKEHGRSA-N 380.835 4.224 10 1 GICF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2n1 587275555 DSGLMPKYPXNQIA-SNUQEOBHSA-N 377.404 4.010 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772597933 HZHVMSHTTQZNQT-SBUREZEXSA-N 382.504 4.329 10 1 GICF OC1CCN(c2ccc([C@@H]3c4ccsc4CCN3Cc3ccco3)cc2)CC1 962711705 QAGCMRRGRCLYSG-HSZRJFAPSA-N 394.540 4.450 10 1 GICF CCCc1c(O)ccc2c1OC1(CCN(c3ccc4c(c3)OCO4)CC1)CC2=O 587478003 ZAACOXDAGZDYQW-UHFFFAOYSA-N 395.455 4.078 10 1 GICF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc4c(cc3F)OCCCO4)C2)cc1 96172886 WOTZAFKBDAEOFI-OAHLLOKOSA-N 399.462 4.337 10 1 GICF Oc1cc(F)ccc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950952 FNDQCBZBSDVUEH-GOSISDBHSA-N 381.369 4.291 10 1 GICF O=C(NCc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 103754614 SPAGGYQRVVFOQX-GPMSIDNRSA-N 388.389 4.355 10 3 GICF CN(C)c1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl 3814656 UCGZGNACKJUNKA-UHFFFAOYSA-N 376.909 4.148 10 1 GICF CC(C)=CCc1c(O)cc2c(c1CCc1ccc(O)c(O)c1)C[C@@H](O)C(C)(C)O2 15251832 OWBYJSNJVWQEQX-HSZRJFAPSA-N 398.499 4.172 10 1 GICF biogenic COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(CC(C)C)CC4)cc1O 39140964 WKTMDLQZTZEUIG-UHFFFAOYSA-N 381.472 4.436 10 1 GICF in-vivo CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OC)n(C)c3ccccc13)CC2=O 587471796 VCJZTUFKNRPDKW-LJQANCHMSA-N 393.439 4.330 10 1 GICF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(N)cccc12 28006387 JXIIRTOACOXDLC-UHFFFAOYSA-N 392.484 4.394 10 1 GICF Fc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 95590811 VQIPFMOEPPWFRZ-UHFFFAOYSA-N 388.446 4.351 10 1 GICF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NC1CCCCC1 2356851305 QGCXSMPIPBFEFM-MSOLQXFVSA-N 388.552 4.088 10 1 GICF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 1772647875 ZPNBGIIVPUPUDW-JTSKRJEESA-N 382.504 4.249 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(OC)c1 96172851 PJSDVMMOWPHGRG-MRXNPFEDSA-N 383.488 4.444 10 1 GICF CCOc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802684 TWZCMIJDERKPPH-NSPYISDASA-N 394.284 4.490 10 1 GICF COc1ccc2c(c1OC)[C@H](CC(C)=O)N(C)c1c-2ccc2cc(O)c(O)cc12 28969961 OZFFCUIRRDOAHH-KRWDZBQOSA-N 393.439 4.405 10 1 GICF biogenic,in-vitro CCCCOCCCNCc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2 473155066 OVBDULMEOLPTDK-UHFFFAOYSA-N 383.488 4.370 10 1 GICF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1C)CC2=O 587474200 FOITTYPZAUHWEZ-QFIPXVFZSA-N 381.472 4.196 10 1 GICF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2cc(O)nc(O)c12 587524965 MZIUWEYDQWMWMN-JOCHJYFZSA-N 378.428 4.042 10 1 GICF CCc1cc(OC)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804930 DLRVCGVVRUCSBS-XTZNXHDOSA-N 394.284 4.488 10 1 GICF Cc1ccc2c(c1O)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587830168 BPURLQIVBOKRDH-NSPYISDASA-N 376.269 4.326 10 1 GICF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(Br)cc(C)c1O 963071105 WFGSBRXNHHQUKJ-IBGZPJMESA-N 399.288 4.255 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3cccnc23)N1 587779412 SDJCVAKYCSSOQM-DGIBIBHMSA-N 387.252 4.466 10 1 GICF COc1cc(C)cc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)[C@@H]4O)ccc(O)c12 39161704 XRHFMLAUKWOBHQ-VJBOLBCHSA-N 379.456 4.321 10 1 GICF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(F)c2)N1 2936917 DCUHKMMUVVQPLV-XXBNENTESA-N 390.414 4.234 10 1 GICF COc1cc(-c2ncn(C)c2-c2ccc3c(Cl)cn(C)c3c2)cc(N)c1OC 64286964 BOKMNTWVZRSRIW-UHFFFAOYSA-N 396.878 4.499 10 1 GICF CC[C@@]1(c2ccc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587821114 GTAZVQLEKZNHIM-MGNBDDOMSA-N 380.257 4.187 10 1 GICF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3Cl)c12 72176334 PPSIHPGIROSKPP-UHFFFAOYSA-N 384.771 4.295 10 1 GICF COc1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1 1772569998 DHIFHWRBNWLKSW-UHFFFAOYSA-N 394.495 4.434 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3cccc([N+](=O)[O-])c3)[nH]c21 587270941 XQHGOIITLHYIRS-UHFFFAOYSA-N 397.390 4.032 10 1 GICF CC[C@@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587821118 GTAZVQLEKZNHIM-YPMLDQLKSA-N 380.257 4.187 10 1 GICF Cc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(C(=O)O)c1 169688911 POXIXVNDRYZZEY-QURGRASLSA-N 379.376 4.379 10 1 GICF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587801830 NWOPVYICFFZIMM-MLCYQJTMSA-N 380.257 4.316 10 1 GICF O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc1c2oc2cc(O)c(O)cc21 2356608383 NFHAGMCGVRLIOV-QGZVFWFLSA-N 378.336 4.115 10 1 GICF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc[nH]c2)cc(OC)c1OC 14956259 CTLSNHQTEIWGIH-IUXPMGMMSA-N 376.412 4.200 10 1 GICF COc1c(Cl)c2c3c(c1OC)N(c1ccc(F)cc1)C[C@H]3CN(C)CC2 28087636 ZLEMKTFXPSIGOM-GFCCVEGCSA-N 376.859 4.220 10 1 GICF Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(F)c2)N1 53365037 NYBCEKXAQXDDCF-AUSIDOKSSA-N 390.414 4.483 10 1 GICF COc1cc(O)c2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587809644 RFDSWKKGZOJCLG-APBUJDDRSA-N 392.268 4.026 10 1 GICF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(Cc1ccccc1)c1ccccc1O 963613638 VFAQSVNCWRZEET-NSYGIPOTSA-N 389.495 4.430 10 1 GICF CCOc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801785 NMBNHOWLKVUHKG-JEOXALJRSA-N 394.284 4.490 10 1 GICF CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 1772647874 ZPNBGIIVPUPUDW-HTAPYJJXSA-N 382.504 4.249 10 1 GICF O=C(NCc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 15952425 SPAGGYQRVVFOQX-TXPKVOOTSA-N 388.389 4.355 10 3 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3ncccc23)N1 587779523 SZFPQTJAJKKQQP-GIGQVBGESA-N 387.252 4.466 10 1 GICF O=C(O)[C@@H]1CCCN(CCOCCc2ccc(/N=N/c3ccccc3)cc2)C1 299831120 IDGYVVQDLWAJKN-FYTMPNSFSA-N 381.476 4.458 10 1 GICF COC[C@H](NC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1)c1ccccc1 28821315 BDJNDWUIRNBXQL-KYYPIKSYSA-N 389.480 4.182 10 1 GICF COc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587808066 OLQRCGHLZYVXIL-MLCYQJTMSA-N 380.257 4.100 10 1 GICF Cc1ccc(O)c2c1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833638 OTHWUTXAPRRKGG-WLRWDXFRSA-N 376.269 4.326 10 1 GICF Cc1cccc(Cc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc(O)c2O)c1 653835434 BZBWZGDNALSYGX-UHFFFAOYSA-N 390.391 4.182 10 1 GICF COc1cc(O)c2c(=O)c(-c3cc(OC)c(O)c(O)c3CC=C(C)C)coc2c1 1857646152 UMQLLHOPLUCXGJ-UHFFFAOYSA-N 398.411 4.103 10 1 GICF CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587802204 PXVTUHWYOBRGGQ-QGHHPUGFSA-N 380.257 4.316 10 1 GICF CC(C)=CCOc1ccc(C2=NN(C(N)=S)[C@H](c3ccccc3)C2)c(O)c1 64512081 GAOGESXCMYFFQR-IBGZPJMESA-N 381.501 4.132 10 1 GICF COc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1 95921329 BNLATJNUBANGFF-UHFFFAOYSA-N 397.482 4.027 10 1 GICF in-vitro Cc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O 473082913 LSODMMBDCAAVGR-UHFFFAOYSA-N 382.371 4.249 10 1 GICF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587822283 MPAQZZOOYAMTPO-XTZNXHDOSA-N 380.257 4.106 10 1 GICF CC(C)N[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 2356529365 DGFMGTLKHVREOL-WOSKWAQLSA-N 387.520 4.263 10 1 GICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)O2 587391874 ZPWKIMRBMGOUJE-OAQYLSRUSA-N 390.439 4.389 10 1 GICF COC(=O)c1ccc(/N=N/N(C)COc2ccc(Br)cc2)cc1 18211247 DUPCSPIHKOWLPI-VHEBQXMUSA-N 378.226 4.203 10 1 GICF COC(=O)Nc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cn1 587245855 ZVIIYVIUQXOWBL-UHFFFAOYSA-N 375.388 4.178 10 1 GICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3ccccc3)oc2c1 653829410 XEDIVVGQTOTJSS-UHFFFAOYSA-N 390.391 4.176 10 1 GICF O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2nccc(C3CC3)c12 1857551681 QFENKFPAIJQFRN-UHFFFAOYSA-N 396.541 4.216 10 1 GICF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 169700277 HIFBJRBBSUTDHD-KRWDZBQOSA-N 378.516 4.146 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3ncccc23)N1 587777930 JZFVSVSBAZWWKY-DGIBIBHMSA-N 387.252 4.466 10 1 GICF COc1cc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)cc(O)c1O 587785033 HFDDRHOHDJASLX-IHWYPQMZSA-N 379.185 4.055 10 1 GICF Cc1ccc2c(c1O)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587830172 BPURLQIVBOKRDH-WYRIXSBYSA-N 376.269 4.326 10 1 GICF Cc1cc2c(O)nc(CSC(=S)NCc3ccc(F)cc3F)nc2s1 1857744794 CHPGDVHXXICTFR-UHFFFAOYSA-N 397.497 4.291 10 1 GICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CCC4)cc3)C2)cc1 142309640 UUGXOZZOPHIYCM-INIZCTEOSA-N 380.488 4.083 10 1 GICF CC(=O)N[C@@H](C)CCc1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1 149969444 PEZFZTGICKPHLV-KRWDZBQOSA-N 378.516 4.289 10 1 GICF CCCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 27758100 HQEHOHSEANCHAQ-UHFFFAOYSA-N 375.465 4.233 10 1 GICF CN1c2ccc(Br)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95552683 TZMYGKRMGKWNFO-GOSISDBHSA-N 382.261 4.077 10 1 GICF c1cc(N2CCCC2)ccc1CN1CCC[C@H](Nc2ccc3[nH]ncc3c2)C1 114332842 SOXNYIWWQIFJRI-NRFANRHFSA-N 375.520 4.240 10 1 GICF Oc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 95596054 VVGLTCJXKALBSL-UHFFFAOYSA-N 396.494 4.325 10 1 GICF CN1c2ccc(Br)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95552684 TZMYGKRMGKWNFO-SFHVURJKSA-N 382.261 4.077 10 1 GICF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cnc2ccccc2c1 103152088 VOAMKHPAWRGBDC-DHLKQENFSA-N 381.431 4.493 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(F)c2O)N1 587714324 FHUZFVIBVUTFRM-WNWIJWBNSA-N 386.211 4.370 10 1 GICF CNCc1ccc(CCc2c(/C=C/c3ccc(O)c(O)c3)ccc(O)c2O)cc1 85569239 NKWJLYXLHKAGQA-RMKNXTFCSA-N 391.467 4.184 10 1 GICF biogenic,in-vitro O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(N3CCCCC3)ccc21 28964692 SVYGRCSOIPQXGO-FQEVSTJZSA-N 375.476 4.362 10 1 GICF COc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(F)c1 587148592 KROTXTQPLOYRLS-UHFFFAOYSA-N 386.382 4.077 10 1 GICF COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(OC)c1OC 1857767906 DTDUOTHCIIZPGX-LFIBNONCSA-N 386.835 4.172 10 1 GICF COc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809233 RYILUPXHRKYWBS-MLCYQJTMSA-N 380.257 4.100 10 1 GICF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586893999 XFTLINFLHOCHDF-PEBXRYMYSA-N 396.446 4.484 10 1 GICF COc1ccc(C[C@]2(c3ccc(O)cc3O)NCCc3cc(C)c(F)cc32)cc1 962295566 DZECAYJZTMYWDU-XMMPIXPASA-N 393.458 4.186 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CCOC)cc3)C2)cc1 96172997 KZKCXAXQDHLJNH-GOSISDBHSA-N 397.515 4.452 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(F)cc2F)N1 587718721 JGNFIYLBTPUUSJ-RBHXEPJQSA-N 386.211 4.370 10 1 GICF Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CN[C@@H]1CN2CCC1CC2 23363267 SXBXITHAUKZVFU-JOCHJYFZSA-N 393.918 4.445 10 1 GICF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Cl)cc(Cl)c3O)C2)cc1 95560022 PPIOYFAIYQPELP-QGZVFWFLSA-N 379.243 4.405 10 1 GICF O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(C=Cc3ccc(O)cc3)cc(O)cc2O1 2356414020 NUAVFMGJHRKKIX-SFHVURJKSA-N 390.391 4.120 10 1 GICF O=C(O)c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 64448412 ORQDYVINJXCMJR-ZHZULCJRSA-N 386.382 4.358 10 1 GICF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(O)c(O)cc32)[C@@H]1c1ccc(F)cc1 587358551 WRPRGPOKDHESQQ-GGAORHGYSA-N 392.382 4.143 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)O)c3[nH]1)[C@H]1CC=C[C@@H]21 587275581 DTWGVRKNCNNXLY-NQCMUKECSA-N 390.399 4.304 10 1 GICF COc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c1C 587788113 PVVUHPSPZUWIMN-UHFFFAOYSA-N 398.418 4.331 10 1 GICF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc13 45289378 BGGKLNVUQJUZIE-QQKQFIJSSA-N 376.544 4.370 10 1 GICF in-vivo Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(O)c1O 103279582 UWZXCLGIJGVSCA-QZQOTICOSA-N 384.417 4.017 10 1 GICF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1C)CC2=O 587474193 FOITTYPZAUHWEZ-JOCHJYFZSA-N 381.472 4.196 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N(C)C)cc2)N1 587756986 TXGXWYIRATXSEN-BUXKBTBVSA-N 377.301 4.452 10 1 GICF Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 118216189 KVFTWDNYNCLZKA-UHFFFAOYSA-N 386.860 4.075 10 1 GICF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ccc(OC4CCCC4)cc3)C2)cc1 142318943 NXRWALCUKJVWST-QGZVFWFLSA-N 394.515 4.473 10 1 GICF CCOc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802683 TWZCMIJDERKPPH-JEOXALJRSA-N 394.284 4.490 10 1 GICF COc1cc(/C=C\c2nc3cc(C)cc(Br)c3[nH]2)cc(O)c1O 587784629 BPSKMSYBACFALF-ARJAWSKDSA-N 375.222 4.224 10 1 GICF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)N1CCCCC1 1857653292 SEMKPYKSTOIFPK-RMKNXTFCSA-N 379.412 4.242 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c21 587160028 CNFPVCRJBOWUMF-UHFFFAOYSA-N 387.326 4.053 10 1 GICF CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)O)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]23)cc1 101673279 LFUPVDOJTYKZBC-ZRGWGRIASA-N 394.383 4.045 10 1 GICF CC[C@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809389 QCIFUZZCTKWDPE-JEOXALJRSA-N 394.284 4.490 10 1 GICF CC(C)c1ccc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 71296741 XOCAHTRZCPTTPY-UHFFFAOYSA-N 383.407 4.026 10 1 GICF C[C@]1(c2cc(OCc3ccccc3)ccc2O)NCCc2nc3ccccn3c21 962985510 PIMGIEJQTKSCLK-XMMPIXPASA-N 385.467 4.028 10 1 GICF O=C1c2ccccc2C(=O)C12Nc1ccc(Br)cc1[C@H]1OCCC[C@H]12 40867024 JMBFUANNRVERQP-NVXWUHKLSA-N 398.256 4.160 10 1 GICF Nc1ccc(Oc2ccc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 586923924 ALLSCVOQRQPTAM-OUKQBFOZSA-N 391.452 4.382 10 1 GICF O=C(c1ccccn1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28461434 JDDDNJJMLOPJOR-XBXARRHUSA-N 384.391 4.148 10 1 GICF CCOc1ccc2nc(C)cc(Nc3ccc(C4=NNC(=O)CC4)c(O)c3)c2c1 29064160 WAJMBCQLGHNJCC-UHFFFAOYSA-N 390.443 4.005 10 1 GICF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3cccc(Cl)c3)c12 72176270 HLYXLXNLXFHZEU-UHFFFAOYSA-N 384.771 4.295 10 1 GICF CCc1cc(O)nc(SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)n1 586966701 LMVWDEBSTMFGJS-UHFFFAOYSA-N 393.472 4.288 10 1 GICF O=C(Cn1c2c(c3ccccc31)CCCC2)n1ncc2ccc(Cl)cc2c1=O 587652419 DHBBZZFTTFBNJD-UHFFFAOYSA-N 391.858 4.224 10 1 GICF COc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811077 UYBMPBIVIAXWAQ-MGNBDDOMSA-N 380.257 4.100 10 1 GICF CC[C@]1(c2ccc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587821116 GTAZVQLEKZNHIM-MLCYQJTMSA-N 380.257 4.187 10 1 GICF COc1cc(/C=C\c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(O)c1O 587785420 LQSQLFHXHCNJQP-YFHOEESVSA-N 386.407 4.384 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CCO)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276535 LPHDODWZUCPWEB-MRUHUIDDSA-N 390.443 4.141 10 1 GICF COc1nccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c12 587277251 RJSSDGBHRZNREG-PBFPGSCMSA-N 377.404 4.010 10 1 GICF CC[C@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807050 JSEKDBRMTJWJLL-JEOXALJRSA-N 394.284 4.490 10 1 GICF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cncc2ccccc12 103152095 GPTBAYVRVKKMTC-DHLKQENFSA-N 381.431 4.493 10 1 GICF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCCCO4)C2)cc1 96172850 LUJJPDOABWWHIM-MRXNPFEDSA-N 381.472 4.198 10 1 GICF O=C(O)[C@H]1CCCN(CCOCCc2ccccc2/N=N\c2ccccc2)C1 299825151 CYPKVNMTQQPHHG-OAFDPHIXSA-N 381.476 4.458 10 1 GICF CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(N3CCCCC3)nc2c1O 36380893 RVUIPIKGXRTZHY-LJQANCHMSA-N 399.878 4.403 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(O)c(O)c2)N1 587823635 VKVGPCCTIBRTFJ-NSPYISDASA-N 394.284 4.382 10 1 GICF COc1ccc(-n2c(C)cc(CNC(=O)c3ccc(CN(C)C)cc3)c2C)cc1 64549114 JWGHMFQRHXTMGC-UHFFFAOYSA-N 391.515 4.094 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(F)c2O)N1 587714479 AADRTLJMEKUQEQ-CQLKUDPESA-N 386.211 4.370 10 1 GICF COc1ccc2c(c1)oc(=O)c1c2oc2ccc(O)c(CN3CCCCC3)c21 1772615872 AEGLYHMTTKTHES-UHFFFAOYSA-N 379.412 4.393 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OCCN3C)N1 587773010 IUMAOKRFEUFAAT-JEOXALJRSA-N 391.284 4.040 10 1 GICF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587822284 MPAQZZOOYAMTPO-YPMLDQLKSA-N 380.257 4.106 10 1 GICF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc[n+](C)c32)CC1 1911570842 XRYMCONOCXBTDV-UHFFFAOYSA-N 397.926 4.317 10 1 GICF N=C(NCc1ccccc1)[C@@H](/N=N/c1ccccc1)C(=O)NCc1ccccc1 66166480 FAZOIBGUMUTFQO-ILOQVAKNSA-N 385.471 4.222 10 1 GICF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587802855 VLFOBCSHWDTICC-NSPYISDASA-N 394.284 4.490 10 1 GICF O=C(O)CCc1ccc(-c2ccc(-n3ccnc3)s2)n1-c1ccc(O)cc1 84602092 KJKMJXDLYNRONJ-UHFFFAOYSA-N 379.441 4.114 10 1 GICF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(N3CCOCC3)cc12 103058978 WHAKZVJXZWNWMW-XMSQKQJNSA-N 378.472 4.094 10 1 GICF COc1cc(/C=C/c2nc3ccc(Br)c(C)c3[nH]2)cc(O)c1O 587785605 OBSDZHPFEQFYKA-ZZXKWVIFSA-N 375.222 4.224 10 1 GICF COc1cc(-c2c(-c3ccc4ccn(C)c4c3)ncn2C)cc(OC)c1OC 29462596 ZMAXEZMMAUWCBE-UHFFFAOYSA-N 377.444 4.272 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3Cc4cc(F)ccc4O3)[nH]c21 587174408 PFKRFIWZOSHTTA-GOSISDBHSA-N 384.366 4.154 10 1 GICF COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 13862831 AVAFSDMMBPCFKE-UHFFFAOYSA-N 393.439 4.185 10 1 GICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)O2 587389039 IQLDDQUJXQXORJ-NRFANRHFSA-N 390.439 4.420 10 1 GICF CCCOc1ccc(N2CC(c3ccc(C[C@@H](C)NC(C)=O)cc3)C2)c(OC)c1 149629659 CEACJIQHRUFCLW-QGZVFWFLSA-N 396.531 4.155 10 1 GICF O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccc(OC(F)(F)F)c1 70725549 JOPQBVXBLCIFSK-UHFFFAOYSA-N 383.347 4.245 10 1 GICF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccc(F)cc3)C2)ccc1O 35013086 PMVWEFAPQBDMTM-FQEVSTJZSA-N 375.403 4.226 10 1 GICF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2cc(O)nc(O)c12 587524989 MZIUWEYDQWMWMN-QFIPXVFZSA-N 378.428 4.042 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2O)N1 587775996 AVQKQJRVMJQYDS-YPMLDQLKSA-N 387.252 4.466 10 1 GICF O=c1c(Cl)c(-c2ccc(O)c(O)c2)oc2c(Cl)c(O)c(Cl)c(O)c12 238771024 ZWUOQUYYTFKTQT-UHFFFAOYSA-N 389.574 4.243 10 1 GICF Cc1cccc(OC[C@@]2(c3ccc(O)cc3O)NCCc3cc(C)c(F)cc32)c1 962141111 BHPJSXGMILGEPB-DEOSSOPVSA-N 393.458 4.322 10 1 GICF CCC(=O)N[C@@H](c1cccs1)c1cc(Br)c2cccnc2c1O 38142066 PWAWPOAPHIPMNC-OAHLLOKOSA-N 391.290 4.380 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N(C)C)cc2O)N1 587756518 QYLWMJBFRYMOEZ-NSPYISDASA-N 393.300 4.158 10 1 GICF CCOc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801787 NMBNHOWLKVUHKG-WLRWDXFRSA-N 394.284 4.490 10 1 GICF CCc1ccc(CC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587937247 OXDYIQNSSIFZQE-UHFFFAOYSA-N 376.342 4.116 10 1 GICF N=c1ncc(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c[nH]1 587254034 FUJSLNRMBPJPPY-UHFFFAOYSA-N 394.438 4.474 10 1 GICF COc1ccc(N2CCN(CC3=NOC(C)(C)C[C@H]3c3ccccc3)CC2)cc1 473081663 CTYTWVYNLUZWIC-QFIPXVFZSA-N 393.531 4.156 10 1 GICF CN(CCO)c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587192958 MQLPEPQJUZAMFV-UHFFFAOYSA-N 380.673 4.074 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)O)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276303 KHKPDBLTBZNCBA-TYILLQQXSA-N 390.399 4.304 10 1 GICF O=C(Cn1c(O)c(/N=N\C(=O)c2ccncc2)c2ccccc21)Nc1ccccc1 96901472 RKVBTLXXJSRVQS-QPLCGJKRSA-N 399.410 4.305 10 1 GICF COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1OC 72178821 DMAKOHLBOCXMCN-XMMPIXPASA-N 393.483 4.109 10 1 GICF Cc1c(F)ccc2c1[C@]1(C=C(c3ccccc3)Oc3ccc(O)c(O)c31)NCC2 962297502 JJRQOMYHBFWWIG-DEOSSOPVSA-N 389.426 4.368 10 1 GICF CC(C)(C)c1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(O)c1 962767757 QTMYZCMCQBKXRJ-AEFFLSMTSA-N 377.406 4.425 10 1 GICF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587801837 NZHQEWSBPOJOCK-JEOXALJRSA-N 394.284 4.490 10 1 GICF O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1oc3cc(O)c(O)cc3c12 1857637039 ROJMHPCLVMCIRU-UHFFFAOYSA-N 376.320 4.182 10 1 GICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)c(F)c1 96173036 NHSMQQRAWUXDKQ-HNNXBMFYSA-N 398.478 4.079 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3cccnc23)N1 587776963 FJIPKFGGHBJYEZ-APBUJDDRSA-N 387.252 4.466 10 1 GICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N3CCN(CC)CC3)cc2)N1 962963780 XAQZDMSIGFBHMA-NTKDMRAZSA-N 388.559 4.324 10 1 GICF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587812013 YHHZSPBZWAHECE-XTZNXHDOSA-N 380.257 4.100 10 1 GICF COc1cc(/C=C/c2nc3cc(C)cc(Br)c3[nH]2)cc(O)c1O 587784632 BPSKMSYBACFALF-ONEGZZNKSA-N 375.222 4.224 10 1 GICF O=C1N=C(NCCc2ccc(F)cc2)S/C1=C\c1ccc2ncccc2c1 28821289 UXZMCMNLBUGBMC-UYRXBGFRSA-N 377.444 4.177 10 1 GICF Cc1c(N)ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26846211 ZSBYAINLNGFLTJ-UHFFFAOYSA-N 392.484 4.394 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)c3ccccc3Cl)[nH]c21 587059986 XDSCGPUQAAZLLM-OAQYLSRUSA-N 388.810 4.073 10 1 GICF COc1cc(O)c([C@@]2(C)c3ccsc3CCN2Cc2cccnc2)c(OC)c1 962998163 OBSJQLZALWTNGJ-JOCHJYFZSA-N 396.512 4.188 10 1 GICF C[C@@H](COc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O)N(C)C 28713989 DUZOVWTWAFRSTO-NSHDSACASA-N 383.831 4.191 10 1 GICF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(N)=O 587513521 BHBGABCYAMXHDE-NRFANRHFSA-N 388.467 4.020 10 1 GICF COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@H](C)[C@@H]4O)c(O)c12 15121590 NNCITNDNYQWFCU-QRQYBIJMSA-N 379.456 4.321 10 1 GICF biogenic COc1ccc(CNC(=S)SCc2nc(O)c3cc(C)sc3n2)cc1 1857630947 MRCTVLZQCPXZPH-UHFFFAOYSA-N 391.543 4.022 10 1 GICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)O2 587389041 IQLDDQUJXQXORJ-OAQYLSRUSA-N 390.439 4.420 10 1 GICF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(N)=O 587513522 BHBGABCYAMXHDE-OAQYLSRUSA-N 388.467 4.020 10 1 GICF Oc1ccc2cccnc2c1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961610974 CJZZJQNKNDRFEM-IBGZPJMESA-N 381.273 4.471 10 1 GICF O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc1oc3cc(O)c(O)cc3c21 25997285 ZXWMKYBQWBZFAK-INIZCTEOSA-N 378.336 4.115 10 1 GICF biogenic Cc1ncsc1CCOc1ccc(/C=C2\SC(O)=NC2=O)c(Cl)c1 169700814 FNQGJZGDEPXLEN-NSIKDUERSA-N 380.878 4.255 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c(F)c2)N1 587724704 LIJFEIWLZSXQGL-MGNBDDOMSA-N 381.264 4.417 10 1 GICF COc1cc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)cc(O)c1O 587785013 GVOYCLAOKRBPBD-GORDUTHDSA-N 379.185 4.055 10 1 GICF Cc1cc(C=O)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587823546 UVNOBVGMFYJQJQ-BMLIUANNSA-N 378.241 4.038 10 1 GICF COc1cc(CO)c(-c2ccc3c(c2O)[C@H](C)N[C@H](C)C3)c2cccc(O)c12 6441799 ZQSUAGVTKAZDJV-OLZOCXBDSA-N 379.456 4.014 10 1 GICF biogenic CC(C)c1ccc([C@@]2(c3ccc(O)c(O)c3O)OC(=O)c3ccccc32)cc1 103191035 GCNFYYVRDJMNGM-HSZRJFAPSA-N 376.408 4.389 10 1 GICF O=C(Cn1c(O)c(N=NC(=O)c2ccncc2)c2ccccc21)Nc1ccccc1 253979480 RKVBTLXXJSRVQS-UHFFFAOYSA-N 399.410 4.305 10 1 GICF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587801831 NWOPVYICFFZIMM-XTZNXHDOSA-N 380.257 4.316 10 1 GICF CCOc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800072 FINTYEYVYDICCZ-WYRIXSBYSA-N 394.284 4.490 10 1 GICF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586894000 XFTLINFLHOCHDF-RCDICMHDSA-N 396.446 4.484 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N(C)C)cc2)N1 587756984 TXGXWYIRATXSEN-BLVKFPJESA-N 377.301 4.452 10 1 GICF COc1nccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c12 587277249 RJSSDGBHRZNREG-IIYDPXPESA-N 377.404 4.010 10 1 GICF COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O 13862830 GMLYZTKKVRASPB-UHFFFAOYSA-N 393.439 4.185 10 1 GICF C[C@@H]1Oc2c(c3c(c4oc5c(O)c(O)ccc5c(=O)c24)C(C)(C)[C@H](C)O3)C1(C)C 14686346 YOOLRLCJQJIYEG-UWVGGRQHSA-N 396.439 4.474 10 1 GICF biogenic COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c(O)c1CN1CCCCC1 49070083 YIDAOOAGFQVSJK-UHFFFAOYSA-N 389.879 4.280 10 1 GICF CCc1cc(OC)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804931 DLRVCGVVRUCSBS-YPMLDQLKSA-N 394.284 4.488 10 1 GICF COc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587808065 OLQRCGHLZYVXIL-MGNBDDOMSA-N 380.257 4.100 10 1 GICF COc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811079 UYBMPBIVIAXWAQ-MLCYQJTMSA-N 380.257 4.100 10 1 GICF CC(=O)OC1CCN([C@@H](c2ccccn2)c2c(O)ccc3ccccc23)CC1 72181115 BLQKRSAKNXRTJD-QHCPKHFHSA-N 376.456 4.057 10 1 GICF NC(=O)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(Cl)cc2)c1O 169307458 HQMWOUXNEUNEIZ-FMQUCBEESA-N 386.755 4.160 10 1 GICF COc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809235 RYILUPXHRKYWBS-XTZNXHDOSA-N 380.257 4.100 10 1 GICF COc1ccc(OC)c(-c2ccc(O)c(CNCc3ccccc3OC)c2)c1 12282397 HCPKQCRQVZKUHS-UHFFFAOYSA-N 379.456 4.375 10 1 GICF CC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(=N)C=C3O)c2nc3ccccc3c-2c1C 100807407 HWZXCACMAUJWGT-UHFFFAOYSA-N 396.406 4.356 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2O)N1 587775993 AVQKQJRVMJQYDS-MGNBDDOMSA-N 387.252 4.466 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3ncccc23)N1 587777932 JZFVSVSBAZWWKY-OVWNDWIMSA-N 387.252 4.466 10 1 GICF O=C1Nc2ccc(N3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21 82158225 FUZHDIGYHQYSHU-UHFFFAOYSA-N 393.874 4.166 10 1 GICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3F)C2)cc1 142183396 XZRJAPLYDLVTAQ-HNNXBMFYSA-N 398.478 4.079 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(C(F)(F)F)c3)[nH]c21 587114976 BPAMUKGXJPYEAI-UHFFFAOYSA-N 393.324 4.419 10 1 GICF C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc4cnccc34)cc2)C[C@@H](C)O1 14973437 PBGIBLMGQBQELE-IAGOWNOFSA-N 390.487 4.170 10 1 GICF COc1cc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(O)c1O 587786739 WKLQOCLQXLLAOK-IHWYPQMZSA-N 397.175 4.194 10 1 GICF C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc4cnccc34)cc2)C[C@H](C)O1 14973449 PBGIBLMGQBQELE-IRXDYDNUSA-N 390.487 4.170 10 1 GICF COc1cncc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c12 587276286 KCNLTLPBINAXRO-SNUQEOBHSA-N 377.404 4.010 10 1 GICF CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCc2ccc(N(C)C)cc2)c1 1857566397 KWSYJRGLWRXWDC-FMIVXFBMSA-N 392.499 4.289 10 1 GICF COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1OC 96938900 FPWKXUOSFBLZOU-SFHVURJKSA-N 378.428 4.010 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CO)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275373 CVSFIJABUDXXFX-SIFCLUCFSA-N 376.416 4.098 10 1 GICF O=C(OCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 1538058 WEZNDVHCINCVNY-UHFFFAOYSA-N 393.439 4.205 10 1 GICF COC(=O)c1ccnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587081393 UOMZKAJGZWWRRH-OZVIIMIRSA-N 380.835 4.224 10 1 GICF Cc1nccn1-c1csc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)c1 84604885 ZHHLAGHLGIXQNG-UHFFFAOYSA-N 393.468 4.423 10 1 GICF O=C(NCc1ccccc1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169306577 SPAGGYQRVVFOQX-GJYPPUQNSA-N 388.389 4.355 10 1 GICF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823909 XECIEJUPRTVEGE-MGNBDDOMSA-N 380.257 4.106 10 1 GICF COc1ccc2c(c1O)[C@@H](CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 13304747 VOXDZHCZJPMHQS-QGZVFWFLSA-N 391.423 4.420 10 1 GICF biogenic CCONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 13796258 IXDUROHDYNKQNR-PTNGSMBKSA-N 376.522 4.499 10 1 GICF COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C)cc1OC 1772637835 IXXAAHAELMOIDS-MOSHPQCFSA-N 391.467 4.185 10 1 GICF CN1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@@H]4CCCC[C@H]4O3)cc21 261072777 AKAZQQQRHQNSNR-PERKRYKHSA-N 382.529 4.337 10 1 GICF Nc1ccc(Oc2ccc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 586923925 ALLSCVOQRQPTAM-SEYXRHQNSA-N 391.452 4.382 10 1 GICF O=C1/C(=C2\SCC(=O)N2c2ccccc2)SC(=S)N1c1ccccc1 6041607 YCDVRAJZFHLNFN-BMRADRMJSA-N 384.507 4.000 10 1 GICF CN(C)CCCOc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O 13651667 JEUMWNWUQZXLQK-UHFFFAOYSA-N 383.831 4.192 10 1 GICF CCOc1ccc(N2CCN(Cc3ccc4oc(=O)cc(Cl)c4c3)CC2)cc1 45495265 KEEXKMIRUWHPCF-UHFFFAOYSA-N 398.890 4.167 10 1 GICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(O)c2ncccc12 96934549 MVOQTAHXMJGIBA-PXDATVDWSA-N 397.430 4.198 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3ncccc23)N1 587779524 SZFPQTJAJKKQQP-OVWNDWIMSA-N 387.252 4.466 10 1 GICF CCOc1ccccc1N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 84635239 IGBIEHNQYLOTAL-UHFFFAOYSA-N 397.906 4.315 10 1 GICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C(C)C)cc3)C2)cc1 142317290 NJBOVGPXUMXIJV-KRWDZBQOSA-N 382.504 4.186 10 1 GICF Cc1cc2c(cc1F)[C@@]1(C[C@H](C)c3c(Br)ccc(O)c31)NCC2 962090246 HXNSZUFDPXJRGF-JEOXALJRSA-N 376.269 4.499 10 1 GICF Cc1c(CN(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 13762076 IOUKACTYDLOGHU-UHFFFAOYSA-N 386.492 4.057 10 1 GICF COc1cncc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c12 587276284 KCNLTLPBINAXRO-FHSNZYRGSA-N 377.404 4.010 10 1 GICF CCOC(=O)c1cc(C)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1C 587943549 ICJLNEUWSCBFOE-UHFFFAOYSA-N 399.216 4.389 10 1 GICF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587812015 YHHZSPBZWAHECE-YPMLDQLKSA-N 380.257 4.100 10 1 GICF CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@@H](CC)C(=O)N1CC1CCCCC1 100980417 UFBJPODYSKVKAX-INIZCTEOSA-N 387.525 4.181 10 1 GICF Cc1cc(C=O)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587821837 KBMPHMLGBOSLLW-BTDLBPIBSA-N 378.241 4.038 10 1 GICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772597931 HZHVMSHTTQZNQT-GAJHUEQPSA-N 382.504 4.329 10 1 GICF COc1cncc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c12 587276288 KCNLTLPBINAXRO-VEVIJQCQSA-N 377.404 4.010 10 1 GICF CN(C)CCCCCCCNC(=O)c1cccc2c(N)c3ccccc3nc12 29243979 ZXZRYAOITAQLAS-UHFFFAOYSA-N 378.520 4.212 10 1 GICF Cc1ccc2c(c1O)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830635 FFNCOWLDBPEBDE-JEOXALJRSA-N 376.269 4.326 10 1 GICF O=C(c1ccc2ccccc2c1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 13737765 HRCYCBJHFZYTBI-UHFFFAOYSA-N 385.375 4.459 10 1 GICF O=C(NCc1ccccc1O)c1cc(C(=O)c2csc3ccccc23)c[nH]1 53243618 DUGQQNVLFJIODS-UHFFFAOYSA-N 376.437 4.096 10 1 GICF Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(N2CCCCC2)CC1 169349606 YBCJGTJJPRUZEA-UHFFFAOYSA-N 390.531 4.386 10 1 GICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N(C)C)cc2O)N1 587756520 QYLWMJBFRYMOEZ-WYRIXSBYSA-N 393.300 4.158 10 1 GICF CC(C)n1c(O)c(N=NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 299813192 BLBQKWDLBJJCAD-UHFFFAOYSA-N 379.342 4.454 10 1 GICF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587812010 YHHZSPBZWAHECE-MGNBDDOMSA-N 380.257 4.100 10 1 GICF Cc1ccc(O)c2c1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587834671 SRXOSNAHVYBZAS-WYRIXSBYSA-N 376.269 4.326 10 1 GICF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653717432 FLXKFMYEGHDVNA-SVYXSEEQSA-N 391.858 4.500 10 1 GICF O=C1NC(=S)S/C1=C\c1csc(-c2cccc(N3CCCCC3)c2)n1 1772597726 HJSBKKPMQKOQFC-GDNBJRDFSA-N 387.555 4.289 10 1 GICF O=S(=O)(Nc1nc(-c2ccccc2Br)cs1)c1ccccc1 95563120 WYSRMXADGCJJRG-UHFFFAOYSA-N 395.303 4.373 10 1 GICF NC(=S)N=Nc1c(O)n(Cc2ccc(Br)cc2)c2ccccc12 253966715 KWWYWZZUVOYDGM-UHFFFAOYSA-N 389.278 4.485 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(F)cc2F)N1 587718725 JGNFIYLBTPUUSJ-WNWIJWBNSA-N 386.211 4.370 10 1 GICF Cc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823150 SRWCNDGPTMLEDR-DYBLOJMWSA-N 380.257 4.106 10 1 GICF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2ccc(N)cc2)cc1 653760970 SZLHZPSRNICFQG-QGZVFWFLSA-N 381.520 4.106 10 1 GICF CN(C)c1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1 2356308561 DKGXFGGXDSOMOZ-OAQYLSRUSA-N 396.922 4.370 10 1 GICF C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1ccc(N2CCCCC2)cc1 218481124 YXTHNONOTJBSFP-INIZCTEOSA-N 395.507 4.375 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(O)c(O)c2)N1 587823637 VKVGPCCTIBRTFJ-WLRWDXFRSA-N 394.284 4.382 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4cn[nH]c4cc3[nH]1)[C@H]1CC=C[C@@H]21 587275299 BNKLMCSPWCELNP-CKNLXJGOSA-N 386.415 4.482 10 1 GICF O=C1C[C@@H](c2cc(O)c(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587497525 CQUVXACFVUPFMK-KRWDZBQOSA-N 389.245 4.446 10 1 GICF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)O4)CC2)cc1 114333464 GNAYTOOUVUIGPH-UHFFFAOYSA-N 394.515 4.301 10 1 GICF Cc1c(CN2CCOCC2)cc(-c2ccc(Cl)nc2)n1-c1ccc(F)cc1 1857773666 MVDDLFPOXHJYMW-UHFFFAOYSA-N 385.870 4.472 10 1 GICF Cc1cc(O)nc2c1C(=O)c1c(CCCCCCC(C)C)cc(O)nc1C2=O 2356593857 ZMMKQTMMGUIIJM-UHFFFAOYSA-N 382.460 4.121 10 1 GICF COc1c2c(cc3oc(=O)c4c5cc(O)c(O)cc5oc4c13)OC(C)(C)C=C2 43120262 HNORCYMXOCSMNP-UHFFFAOYSA-N 380.352 4.296 10 1 GICF biogenic CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 169700278 HIFBJRBBSUTDHD-QGZVFWFLSA-N 378.516 4.146 10 1 GICF CN(C)c1cc(NCCCN2CCCC2)c2c3c(onc13)-c1ccccc1C2=O 1772578849 CILHZSMEBZUMBT-UHFFFAOYSA-N 390.487 4.003 10 1 GICF CN(C)CCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc(N)cc1 27714330 LPHWOASFQNLTAS-UHFFFAOYSA-N 388.515 4.091 10 1 GICF CCN1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2 261175394 UTRZRTWCKQEHFM-YWZLYKJASA-N 380.513 4.093 10 1 GICF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587822280 MPAQZZOOYAMTPO-MGNBDDOMSA-N 380.257 4.106 10 1 GICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(O)c2ncccc12 96934550 MVOQTAHXMJGIBA-SQJMNOBHSA-N 397.430 4.198 10 1 GICF Cc1ccc(O)c2c1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587834665 SRXOSNAHVYBZAS-NSPYISDASA-N 376.269 4.326 10 1 GICF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586893998 XFTLINFLHOCHDF-JLCFBVMHSA-N 396.446 4.484 10 1 GICF Nc1ccc2oc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2c1 587252846 PRYVRFZTHKGMGB-UHFFFAOYSA-N 379.375 4.334 10 1 GICF O=C(/N=N/c1c(O)[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 103977914 NMHNBXQCEYQHLS-QURGRASLSA-N 377.187 4.429 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N(C)C)cc2O)N1 587756517 QYLWMJBFRYMOEZ-JEOXALJRSA-N 393.300 4.158 10 1 GICF O=C1c2ccc(O)cc2O[C@@]2(CCc3c2ccc(O)c3O)[C@@H]1c1ccc(F)cc1 587357652 VACCBHUIFPTLAP-NFBKMPQASA-N 392.382 4.143 10 1 GICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(Cl)c1 587544682 NGVSXGPBXFMOSB-OXJNMPFZSA-N 384.771 4.160 10 1 GICF Oc1cccc2c1[C@@]1(CC2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959745 PXFBVICFHOOGIY-OAQYLSRUSA-N 389.417 4.252 10 1 GICF Cc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 28711229 RIWGJOJRKFJJKH-UHFFFAOYSA-N 389.371 4.130 10 1 GICF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(Br)cc34)[C@@H]21 95556137 YZTJQAYWEWIQDD-GOSISDBHSA-N 382.261 4.077 10 1 GICF CC(=O)C[C@]1(c2ccccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826501 AVRMEDWRJRSPSM-JEOXALJRSA-N 392.268 4.051 10 1 GICF O=C1c2ccccc2-c2cc(C3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 586991566 OWZZQAKLIBRVHX-UHFFFAOYSA-N 391.382 4.315 10 1 GICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc4c3CCOC4)[nH]c21 587032576 YLEYDENJFBWYBA-UHFFFAOYSA-N 386.432 4.140 10 1 GICF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(OC)cc3)CC1)CC2=O 587474333 GLOZKAHDFFLVNY-UHFFFAOYSA-N 381.472 4.358 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(O)c(O)c2)N1 587823633 VKVGPCCTIBRTFJ-JEOXALJRSA-N 394.284 4.382 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(O)c(O)c2)N1 587823640 VKVGPCCTIBRTFJ-WYRIXSBYSA-N 394.284 4.382 10 1 GICF COc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809236 RYILUPXHRKYWBS-YPMLDQLKSA-N 380.257 4.100 10 1 GICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cncc2ccccc12 96934688 GPTBAYVRVKKMTC-WIOPSUGQSA-N 381.431 4.493 10 1 GICF CC[C@@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587821275 GZAJNGIQPOLNDG-YPMLDQLKSA-N 380.257 4.187 10 1 GICF O=c1cc(-c2ccccc2)oc2cc(O)c(CN3CCc4ccccc4C3)c(O)c12 1772607657 BXGDYOVYVKGOGV-UHFFFAOYSA-N 399.446 4.430 10 1 GICF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1O 28820600 RUAGBHADWZJCJI-SNVBAGLBSA-N 399.299 4.090 10 1 GICF O=C(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1 45228894 QZZFLIHUQDLOIR-MRXNPFEDSA-N 393.314 4.484 10 1 GICF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H]1CO 95869271 PWCJQSNTMVGNNT-VJBMBRPKSA-N 380.532 4.144 10 1 GICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(Cl)c2)N1 587693146 MDASGMFJCFIXSR-MLXNANBUSA-N 386.648 4.276 10 1 GICF CC[C@@]1(c2cc(C)ccc2O)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714493 OYGGVDPPEWJNKJ-QFBILLFUSA-N 397.368 4.111 10 1 GICF c1cc(N2CCCC2)ccc1CNCCCNCc1ccc(N2CCCC2)cc1 1857619561 ABJYXBJFHDPTFQ-UHFFFAOYSA-N 392.591 4.157 10 1 GICF C[C@H](COc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O)N(C)C 28713990 DUZOVWTWAFRSTO-LLVKDONJSA-N 383.831 4.191 10 1 GICF NC(=O)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc(Cl)c2)c1O 169307456 ZSAITURZRLKBAV-FMQUCBEESA-N 386.755 4.160 10 1 GICF Cn1nc(C(=O)c2ccccc2NCc2ccc3cn[nH]c3c2)c2ccccc21 40877835 HYYGSSGOWQCUKF-UHFFFAOYSA-N 381.439 4.293 10 1 GICF Cc1cc2c(n1-c1ccc(N3CCN(C)CC3)c(Br)c1)CCCC2 587936020 JHKRVGUUGINSKO-UHFFFAOYSA-N 388.353 4.179 10 1 GICF CC1=NN(c2ccccc2)C(=O)/C1=C(\c1ccc2c(c1)OCO2)N1CCCCC1 1857643523 ZUKCGQZXAWBZSL-QURGRASLSA-N 389.455 4.035 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCO4)[C@@H]1CC=C[C@@H]21 587277492 WZZJQARELMZVFW-IZDJOXEWSA-N 390.399 4.335 10 1 GICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(Cl)c1 587544686 NGVSXGPBXFMOSB-UZLBHIALSA-N 384.771 4.160 10 1 GICF COc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587810362 WWYYJCPBMIMCMR-MLCYQJTMSA-N 380.257 4.100 10 1 GICF Cc1cc(N)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 84614837 HRLGGBLFSBCNIV-UHFFFAOYSA-N 386.455 4.238 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2O)N1 587776458 CWLSRIQGMVUFSC-XTZNXHDOSA-N 387.252 4.466 10 1 GICF CCc1cc(OC)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809872 VNMUSKDDCVANRN-XTZNXHDOSA-N 394.284 4.488 10 1 GICF COc1ccc(NCCCCCCC(C)=O)c2c1C(=O)c1ccccc1C2=O 28770035 DUOGHFBTIGEGQW-UHFFFAOYSA-N 379.456 4.422 10 1 GICF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(N)cc2)cc1 72124958 KEEJHKISEVSCPA-UHFFFAOYSA-N 390.468 4.097 10 1 GICF O=[N+]([O-])c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1 26935300 BLMZEPOWYWPICE-UHFFFAOYSA-N 399.454 4.449 10 1 GICF Oc1ccc(CNCCCCCCNCCc2ccc(Cl)cc2)cc1O 45301252 XFVCOJATAIPPAY-UHFFFAOYSA-N 376.928 4.234 10 1 GICF Cc1cc(C=O)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587822710 QFKZUGHDTXQDCT-BMLIUANNSA-N 378.241 4.038 10 1 GICF Cc1ccc(Cc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 653827662 DLHZPZREEKDKMI-UHFFFAOYSA-N 390.391 4.182 10 1 GICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(O)c(O)c2)N1 587821539 ISTYGWRNKWRJBQ-WLRWDXFRSA-N 394.284 4.382 10 1 GICF COc1ccc(C[C@H]2CCCCc3c2cc(OC)c(OC)c3OC)c(O)c1O 40863739 YNRFYXRSFLFHQZ-CYBMUJFWSA-N 388.460 4.185 10 1 GICF O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccc(-c2ccccc2)cc1 66111845 OQFSPTGJLFPDPM-UHFFFAOYSA-N 376.437 4.408 10 1 GICF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(Br)cc(C)c1O 963071106 WFGSBRXNHHQUKJ-LJQANCHMSA-N 399.288 4.255 10 1 GICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 73291771 QYRMYFDSCIXHTK-UHFFFAOYSA-N 382.847 4.222 10 1 GICF Cc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cc1 84604882 YKQINBHJBBSDJG-UHFFFAOYSA-N 387.439 4.361 10 1 GICF O=C1NC(=S)S/C1=C\c1csc(-c2ccc(OC(F)(F)F)cc2)n1 1772574225 SCXFSQBJXAMPGL-YHYXMXQVSA-N 388.417 4.198 10 1 GICF CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587801583 MDCWEFMESMBSJK-DYZYQPBXSA-N 380.257 4.316 10 1 GICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N)c1 5138655 MQYNSYYRRLGNQV-UHFFFAOYSA-N 378.457 4.085 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(Cl)[nH]c-3n1)[C@@H]1CC=C[C@H]21 587272990 YFIQSEQHPMSKET-RWSFTLGLSA-N 382.811 4.001 10 1 GICF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(Br)cc34)[C@H]21 95556138 YZTJQAYWEWIQDD-SFHVURJKSA-N 382.261 4.077 10 1 GICF COc1ccc(C[C@@]2(c3ccc(O)cc3O)NCCc3cc(C)c(F)cc32)cc1 962295560 DZECAYJZTMYWDU-DEOSSOPVSA-N 393.458 4.186 10 1 GICF COc1cc(O)c([C@]2(C)c3ccsc3CCN2Cc2cccnc2)c(OC)c1 962998165 OBSJQLZALWTNGJ-QFIPXVFZSA-N 396.512 4.188 10 1 GICF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1Cl 1772594322 VIGUHPDIHJKLCJ-FQEVSTJZSA-N 377.831 4.432 10 1 GICF O=C(c1ccc(O)cc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28461595 GWFFRTBTZLGGEX-LREOWRDNSA-N 399.402 4.459 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(Cl)c2)N1 587693148 MDASGMFJCFIXSR-ZIDLFYJRSA-N 386.648 4.276 10 1 GICF CC[C@@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587807062 JSEKDBRMTJWJLL-WYRIXSBYSA-N 394.284 4.490 10 1 GICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c(F)c2)N1 587724707 LIJFEIWLZSXQGL-YPMLDQLKSA-N 381.264 4.417 10 1 GICF Cc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587821354 HYPHMUSLLCJNIZ-DYBLOJMWSA-N 380.257 4.106 10 1 GICF CC(=O)Nc1cc(-n2c(-c3ccccc3)cc3c2CCCC3)cc(C(=O)O)c1O 39194361 VAVYZVSAHSZDPX-UHFFFAOYSA-N 390.439 4.385 10 1 GICF O=C(O)[C@H]1CCCN(CCOCCc2ccc(/N=N/c3ccccc3)cc2)C1 299831147 IDGYVVQDLWAJKN-SMIQVMJNSA-N 381.476 4.458 10 1 GICF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805430 FAMDJVFKRBZVDI-YPMLDQLKSA-N 380.257 4.100 10 1 GICF CC[C@]1(c2cc(C)ccc2O)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714489 OYGGVDPPEWJNKJ-LPHOPBHVSA-N 397.368 4.111 10 1 GICF Cc1sc2c(c1C)CCN[C@]21c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 963007666 HVUYDMIFEWLYEE-QHCPKHFHSA-N 391.492 4.067 10 1 GICF Cc1ccccc1NC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26744905 MMXHAWZXLSOPKZ-UHFFFAOYSA-N 393.531 4.145 10 1 GICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCO4)[C@@H]1CC=C[C@H]21 587277494 WZZJQARELMZVFW-RDXCRGQUSA-N 390.399 4.335 10 1 GICF O=S(=O)(Nc1ccccc1)c1ccc(NCc2cccc(Cl)c2O)cc1 103266574 GCURVWYFJBQEQS-UHFFFAOYSA-N 388.876 4.459 10 1 GICF Cc1ccc(O)c2c1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833636 OTHWUTXAPRRKGG-NSPYISDASA-N 376.269 4.326 10 1 GICF O=S(=O)(Cc1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 101863751 QCYHHIRMXXZLMS-VHEBQXMUSA-N 394.250 4.250 10 1 GICF CC(=O)N(C)c1ccc(Sc2ncc([C@]3(C)COC(C)(C)O3)s2)cc1 837946 NFTVOHMUOBEDKM-SFHVURJKSA-N 378.519 4.275 10 1 GICF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1O)CC2=O 587477912 VTPAFKOFLNRLEE-IBGZPJMESA-N 378.428 4.251 10 1 GICF CC[C@@]1(c2cc(C)ccc2O)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714494 OYGGVDPPEWJNKJ-VQIMIIECSA-N 397.368 4.111 10 1 GICF COc1cc(/C=C2\SC(O)=NC2=O)cc(CO)c1OCCC1CCCCC1 169700809 UGZSUJMPLHTBCB-BOPFTXTBSA-N 391.489 4.065 10 1 GICF Cc1ccc(O)c2c1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833634 OTHWUTXAPRRKGG-JEOXALJRSA-N 376.269 4.326 10 1 GICF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586893997 XFTLINFLHOCHDF-FPTDNZKUSA-N 396.446 4.484 10 1 GICF CCOc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803107 WGHFZRCZJOMNNF-XTZNXHDOSA-N 380.257 4.316 10 1 GICF